USER MOD reduce.3.24.130724 H: found=0, std=0, add=2057, rem=0, adj=66 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER OXIDOREDUCTASE 03-JUN-10 3NB9 TITLE CRYSTAL STRUCTURE OF RADICAL H88Q SYNECHOCYSTIS SP. PCYA COMPND MOL_ID: 1; COMPND 2 MOLECULE: PHYCOCYANOBILIN:FERREDOXIN OXIDOREDUCTASE; COMPND 3 CHAIN: A; COMPND 4 EC: 1.3.7.5; COMPND 5 ENGINEERED: YES; COMPND 6 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCYSTIS SP.; SOURCE 3 ORGANISM_TAXID: 1148; SOURCE 4 STRAIN: PCC 6803; SOURCE 5 GENE: PCYA, SLR0116; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS ALPHA-BETA-ALPHA SANDWICH, RADICAL CHEMISTRY, OXIDOREDUCTASE EXPDTA X-RAY DIFFRACTION AUTHOR D.D.GAE REVDAT 2 16-SEP-15 3NB9 1 JRNL VERSN REVDAT 1 06-OCT-10 3NB9 0 SPRSDE 06-OCT-10 3NB9 3F0K JRNL AUTH A.C.KOHLER,D.D.GAE,M.A.RICHLEY,S.STOLL,A.GUNN,S.LIM, JRNL AUTH 2 S.S.MARTIN,T.I.DOUKOV,R.D.BRITT,J.B.AMES,J.C.LAGARIAS, JRNL AUTH 3 A.J.FISHER JRNL TITL STRUCTURAL BASIS FOR HYDRATION DYNAMICS IN RADICAL JRNL TITL 2 STABILIZATION OF BILIN REDUCTASE MUTANTS. JRNL REF BIOCHEMISTRY V. 49 6206 2010 JRNL REFN ISSN 0006-2960 JRNL PMID 20557110 JRNL DOI 10.1021/BI100728Q REMARK 2 REMARK 2 RESOLUTION. 1.50 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.5.0109 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) : 1.50 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 27.23 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : 79.3 REMARK 3 NUMBER OF REFLECTIONS : 35380 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) : 0.172 REMARK 3 R VALUE (WORKING SET) : 0.171 REMARK 3 FREE R VALUE : 0.196 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 1843 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) : 1.50 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.54 REMARK 3 REFLECTION IN BIN (WORKING SET) : 2317 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 71.01 REMARK 3 BIN R VALUE (WORKING SET) : 0.2430 REMARK 3 BIN FREE R VALUE SET COUNT : 120 REMARK 3 BIN FREE R VALUE : 0.2450 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1924 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 51 REMARK 3 SOLVENT ATOMS : 254 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 16.18 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -0.83000 REMARK 3 B22 (A**2) : 0.90000 REMARK 3 B33 (A**2) : -0.08000 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): NULL REMARK 3 ESU BASED ON FREE R VALUE (A): 0.083 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.042 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 2.284 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.959 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.948 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2109 ; 0.019 ; 0.022 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 2884 ; 2.124 ; 2.003 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 269 ; 6.208 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 102 ;34.122 ;25.000 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 367 ;12.946 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 12 ;15.151 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 306 ; 0.117 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1649 ; 0.011 ; 0.021 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 1254 ; 1.118 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 2039 ; 1.855 ; 2.000 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 855 ; 2.915 ; 3.000 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 833 ; 4.626 ; 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 : 4 REMARK 3 REMARK 3 TLS GROUP : 1 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 6 A 23 REMARK 3 ORIGIN FOR THE GROUP (A): -11.4290 -31.6370 33.1849 REMARK 3 T TENSOR REMARK 3 T11: 0.0697 T22: 0.1547 REMARK 3 T33: 0.0204 T12: -0.0229 REMARK 3 T13: 0.0172 T23: 0.0136 REMARK 3 L TENSOR REMARK 3 L11: 0.2918 L22: 1.7086 REMARK 3 L33: 1.3787 L12: -0.8760 REMARK 3 L13: 0.4112 L23: 0.0912 REMARK 3 S TENSOR REMARK 3 S11: -0.0319 S12: -0.1508 S13: -0.0503 REMARK 3 S21: 0.1260 S22: 0.0052 S23: 0.1524 REMARK 3 S31: 0.1318 S32: -0.1256 S33: 0.0267 REMARK 3 REMARK 3 TLS GROUP : 2 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 24 A 92 REMARK 3 ORIGIN FOR THE GROUP (A): -11.5988 -35.2867 22.0867 REMARK 3 T TENSOR REMARK 3 T11: 0.0465 T22: 0.0483 REMARK 3 T33: 0.0529 T12: 0.0001 REMARK 3 T13: -0.0017 T23: -0.0007 REMARK 3 L TENSOR REMARK 3 L11: 0.7908 L22: 0.4958 REMARK 3 L33: 0.0507 L12: -0.3756 REMARK 3 L13: 0.0190 L23: 0.1447 REMARK 3 S TENSOR REMARK 3 S11: 0.0129 S12: -0.0127 S13: -0.0660 REMARK 3 S21: 0.0207 S22: -0.0177 S23: 0.0078 REMARK 3 S31: 0.0006 S32: -0.0330 S33: 0.0047 REMARK 3 REMARK 3 TLS GROUP : 3 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 93 A 193 REMARK 3 ORIGIN FOR THE GROUP (A): -9.5137 -17.1599 18.4732 REMARK 3 T TENSOR REMARK 3 T11: 0.0546 T22: 0.0446 REMARK 3 T33: 0.0449 T12: 0.0020 REMARK 3 T13: 0.0037 T23: 0.0032 REMARK 3 L TENSOR REMARK 3 L11: 0.8081 L22: 0.0765 REMARK 3 L33: 0.4595 L12: 0.0184 REMARK 3 L13: 0.0082 L23: 0.1437 REMARK 3 S TENSOR REMARK 3 S11: 0.0243 S12: 0.0344 S13: 0.0991 REMARK 3 S21: 0.0006 S22: -0.0143 S23: -0.0220 REMARK 3 S31: -0.0419 S32: -0.0363 S33: -0.0100 REMARK 3 REMARK 3 TLS GROUP : 4 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 194 A 247 REMARK 3 ORIGIN FOR THE GROUP (A): -5.1317 -32.4604 9.6185 REMARK 3 T TENSOR REMARK 3 T11: 0.0489 T22: 0.0729 REMARK 3 T33: 0.0511 T12: 0.0051 REMARK 3 T13: 0.0155 T23: -0.0098 REMARK 3 L TENSOR REMARK 3 L11: 0.4142 L22: 0.3738 REMARK 3 L33: 0.8855 L12: -0.4343 REMARK 3 L13: 0.3996 L23: -0.4039 REMARK 3 S TENSOR REMARK 3 S11: -0.0034 S12: 0.0315 S13: -0.0290 REMARK 3 S21: -0.0147 S22: -0.0102 S23: -0.0452 REMARK 3 S31: 0.0172 S32: -0.1146 S33: 0.0135 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : 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: NULL REMARK 4 REMARK 4 3NB9 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 04-JUN-10. REMARK 100 THE RCSB ID CODE IS RCSB059612. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 31-MAR-07 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7.0 REMARK 200 NUMBER OF CRYSTALS USED : 5 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SSRL REMARK 200 BEAMLINE : BL7-1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.978 REMARK 200 MONOCHROMATOR : NI MIRROR + NI FILTER REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM REMARK 200 DATA SCALING SOFTWARE : SCALA REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 37223 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.500 REMARK 200 RESOLUTION RANGE LOW (A) : 27.230 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 79.3 REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.50 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.54 REMARK 200 COMPLETENESS FOR SHELL (%) : 71.0 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: NULL REMARK 200 STARTING MODEL: PDB ENTRY OXIDIZED H88Q STRUCTURE REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 51.80 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.55 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 1.7-2.2 M AMMONIUM SULFATE, 0.26-0.32 REMARK 280 M NACL, AND 0.1 M SODIUM CACODYLATE, PH 7.0, VAPOR DIFFUSION, REMARK 280 HANGING DROP, TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z REMARK 290 3555 -X+1/2,Y+1/2,-Z REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 35.42000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 47.61450 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 35.42000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 47.61450 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 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: PISA 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 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 MET A 1 REMARK 465 ALA A 2 REMARK 465 VAL A 3 REMARK 465 THR A 4 REMARK 465 ASP A 5 REMARK 465 GLN A 248 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 SER A 7 OG REMARK 470 ASN A 10 CG OD1 ND2 REMARK 470 GLN A 142 CG CD OE1 NE2 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 HOH A 1137 O HOH A 1213 2.07 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 ARG A 166 NE - CZ - NH1 ANGL. DEV. = -3.8 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 LEU A 53 -108.79 -116.81 REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 401 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 402 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE BLA A 249 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 3FOK RELATED DB: PDB REMARK 900 SIDE CHAIN ROTATION OF AMIDE N AND O ATOMS OF GLN88 REMARK 900 RELATED ID: 3NB8 RELATED DB: PDB DBREF 3NB9 A 1 248 UNP Q55891 PCYA_SYNY3 1 248 SEQADV 3NB9 GLN A 88 UNP Q55891 HIS 88 ENGINEERED MUTATION SEQRES 1 A 248 MET ALA VAL THR ASP LEU SER LEU THR ASN SER SER LEU SEQRES 2 A 248 MET PRO THR LEU ASN PRO MET ILE GLN GLN LEU ALA LEU SEQRES 3 A 248 ALA ILE ALA ALA SER TRP GLN SER LEU PRO LEU LYS PRO SEQRES 4 A 248 TYR GLN LEU PRO GLU ASP LEU GLY TYR VAL GLU GLY ARG SEQRES 5 A 248 LEU GLU GLY GLU LYS LEU VAL ILE GLU ASN ARG CYS TYR SEQRES 6 A 248 GLN THR PRO GLN PHE ARG LYS MET HIS LEU GLU LEU ALA SEQRES 7 A 248 LYS VAL GLY LYS GLY LEU ASP ILE LEU GLN CYS VAL MET SEQRES 8 A 248 PHE PRO GLU PRO LEU TYR GLY LEU PRO LEU PHE GLY CYS SEQRES 9 A 248 ASP ILE VAL ALA GLY PRO GLY GLY VAL SER ALA ALA ILE SEQRES 10 A 248 ALA ASP LEU SER PRO THR GLN SER ASP ARG GLN LEU PRO SEQRES 11 A 248 ALA ALA TYR GLN LYS SER LEU ALA GLU LEU GLY GLN PRO SEQRES 12 A 248 GLU PHE GLU GLN GLN ARG GLU LEU PRO PRO TRP GLY GLU SEQRES 13 A 248 ILE PHE SER GLU TYR CYS LEU PHE ILE ARG PRO SER ASN SEQRES 14 A 248 VAL THR GLU GLU GLU ARG PHE VAL GLN ARG VAL VAL ASP SEQRES 15 A 248 PHE LEU GLN ILE HIS CYS HIS GLN SER ILE VAL ALA GLU SEQRES 16 A 248 PRO LEU SER GLU ALA GLN THR LEU GLU HIS ARG GLN GLY SEQRES 17 A 248 GLN ILE HIS TYR CYS GLN GLN GLN GLN LYS ASN ASP LYS SEQRES 18 A 248 THR ARG ARG VAL LEU GLU LYS ALA PHE GLY GLU ALA TRP SEQRES 19 A 248 ALA GLU ARG TYR MET SER GLN VAL LEU PHE ASP VAL ILE SEQRES 20 A 248 GLN HET EDO A 401 4 HET EDO A 402 4 HET BLA A 249 43 HETNAM EDO 1,2-ETHANEDIOL HETNAM BLA BILIVERDINE IX ALPHA HETSYN EDO ETHYLENE GLYCOL FORMUL 2 EDO 2(C2 H6 O2) FORMUL 4 BLA C33 H34 N4 O6 FORMUL 5 HOH *254(H2 O) HELIX 1 1 SER A 7 SER A 11 5 5 HELIX 2 2 LEU A 13 LEU A 17 5 5 HELIX 3 3 ASN A 18 GLN A 33 1 16 HELIX 4 4 LEU A 42 LEU A 46 5 5 HELIX 5 5 PRO A 95 GLY A 98 5 4 HELIX 6 6 PRO A 130 GLU A 139 1 10 HELIX 7 7 PRO A 152 PHE A 158 5 7 HELIX 8 8 ASN A 169 ALA A 194 1 26 HELIX 9 9 SER A 198 GLN A 217 1 20 HELIX 10 10 ASN A 219 GLY A 231 1 13 HELIX 11 11 GLY A 231 VAL A 242 1 12 SHEET 1 A 3 LYS A 38 PRO A 39 0 SHEET 2 A 3 LEU A 58 GLN A 66 -1 O GLN A 66 N LYS A 38 SHEET 3 A 3 TYR A 48 GLY A 51 -1 N VAL A 49 O ILE A 60 SHEET 1 B 7 LYS A 38 PRO A 39 0 SHEET 2 B 7 LEU A 58 GLN A 66 -1 O GLN A 66 N LYS A 38 SHEET 3 B 7 PHE A 70 VAL A 80 -1 O LEU A 77 N GLU A 61 SHEET 4 B 7 LEU A 84 PRO A 93 -1 O PHE A 92 N LYS A 72 SHEET 5 B 7 LEU A 101 GLY A 109 -1 O ALA A 108 N ASP A 85 SHEET 6 B 7 GLY A 112 SER A 121 -1 O ILE A 117 N ASP A 105 SHEET 7 B 7 LEU A 163 ILE A 165 -1 O LEU A 163 N ALA A 118 SITE *** AC1 6 GLY A 98 PRO A 130 TYR A 133 GLN A 190 SITE *** AC1 6 HOH A1117 HOH A1214 SITE *** AC2 8 SER A 31 LEU A 184 GLN A 185 CYS A 188 SITE *** AC2 8 LYS A 221 HOH A1043 HOH A1055 HOH A1112 SITE *** AC3 27 SER A 34 ILE A 86 GLN A 88 VAL A 90 SITE *** AC3 27 GLY A 103 CYS A 104 ASP A 105 VAL A 107 SITE *** AC3 27 SER A 114 ALA A 115 ILE A 117 ARG A 149 SITE *** AC3 27 PHE A 158 PHE A 164 ILE A 192 GLN A 216 SITE *** AC3 27 ASN A 219 LYS A 221 THR A 222 VAL A 225 SITE *** AC3 27 PHE A 244 HOH A1042 HOH A1067 HOH A1094 SITE *** AC3 27 HOH A1104 HOH A1109 HOH A1171 CRYST1 70.840 95.229 42.585 90.00 90.00 90.00 P 21 21 2 4 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.014116 0.000000 0.000000 0.00000 SCALE2 0.000000 0.010501 0.000000 0.00000 SCALE3 0.000000 0.000000 0.023482 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 249 BLA H2D : A 249 BLA O2D : A 249 BLA CGD :(short bond) USER MOD NoAdj-H: A 249 BLA H2A : A 249 BLA O2A : A 249 BLA CGA :(short bond) USER MOD Set 1.1: A 240 SER OG : rot -81:sc= 0.867 USER MOD Set 1.2: A 241 GLN B: amide:sc= 0.121 X(o=0.99,f=0.62) USER MOD Set 2.1: A 215 GLN : amide:sc= 2.3 K(o=3.5,f=-8.4!) USER MOD Set 2.2: A 218 LYS NZ :NH3+ -177:sc= 1.25 (180deg=0) USER MOD Set 3.1: A 212 TYR OH : rot 180:sc= 1.1 USER MOD Set 3.2: A 216 GLN : amide:sc= 1.59 K(o=2.7,f=0.74) USER MOD Set 4.1: A 123 THR OG1 : rot -78:sc= 2.03 USER MOD Set 4.2: A 205 HIS : no HE2:sc= 2.41 K(o=4.4,f=-7.8!) USER MOD Set 5.1: A 190 GLN :FLIP amide:sc= 1.29 F(o=1.4,f=2.9) USER MOD Set 5.2: A 401 EDO O2 : rot 172:sc= 1.61 USER MOD Set 6.1: A 31 SER OG A: rot 87:sc= 0.375 USER MOD Set 6.2: A 188 CYS SG : rot 85:sc= -0.775 USER MOD Set 6.3: A 402 EDO O2 : rot -89:sc= 1.07 USER MOD Set 7.1: A 168 SER OG B: rot 170:sc= 0.0744 USER MOD Set 7.2: A 169 ASN : amide:sc= 0.809 K(o=0.88,f=-5.2!) USER MOD Set 8.1: A 147 GLN A:FLIP amide:sc= 0.994 F(o=1.5,f=2.1) USER MOD Set 8.2: A 147 GLN B: amide:sc= 0.953 K(o=2.1,f=1.4) USER MOD Set 8.3: A 168 SER OG A: rot -48:sc= 0.106 USER MOD Set 9.1: A 128 GLN A: amide:sc= 0.00151 K(o=0.6,f=0.051) USER MOD Set 9.2: A 134 GLN :FLIP amide:sc= 0.595 F(o=-0.7,f=0.6) USER MOD Set10.1: A 133 TYR OH : rot 150:sc= 1.28 USER MOD Set10.2: A 187 HIS : no HD1:sc= 2.75 K(o=4,f=-11!) USER MOD Set11.1: A 62 ASN : amide:sc= 0.756 K(o=3.8,f=2.9) USER MOD Set11.2: A 74 HIS : no HD1:sc= 1.77 K(o=3.8,f=-4.6!) USER MOD Set11.3: A 238 TYR OH : rot -165:sc= 1.31 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 80:sc= 1.63 USER MOD Single : A 12 SER OG : rot -31:sc= 1.01 USER MOD Single : A 14 MET CE A:methyl -164:sc= -0.0244 (180deg=-0.277) USER MOD Single : A 14 MET CE B:methyl -164:sc= -0.0303 (180deg=-0.251) USER MOD Single : A 16 THR OG1 : rot -54:sc= -2.18! USER MOD Single : A 18 ASN : amide:sc= 1.03 K(o=1,f=-4.5!) USER MOD Single : A 20 MET CE A:methyl 155:sc= -1.63 (180deg=-1.78) USER MOD Single : A 20 MET CE B:methyl 150:sc= -0.457 (180deg=-0.915) USER MOD Single : A 22 GLN : amide:sc= 1.84 K(o=1.8,f=-0.59) USER MOD Single : A 23 GLN : amide:sc= 1.28 K(o=1.3,f=0.084) USER MOD Single : A 31 SER OG B: rot -49:sc= 1.18 USER MOD Single : A 33 GLN : amide:sc= 1.04 K(o=1,f=-1.6) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 167:sc= -0.214 (180deg=-0.562) USER MOD Single : A 40 TYR OH : rot 180:sc= 0.731 USER MOD Single : A 41 GLN : amide:sc= -0.0501 K(o=-0.05,f=-0.87) USER MOD Single : A 48 TYR OH : rot 5:sc= 0.777 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 CYS SG : rot -125:sc= -0.645 USER MOD Single : A 65 TYR OH : rot -39:sc= 0.0379 USER MOD Single : A 66 GLN : amide:sc= 1.05 K(o=1,f=-1.8) USER MOD Single : A 67 THR OG1 : rot 163:sc= 1.04 USER MOD Single : A 69 GLN : amide:sc= 0.992 K(o=0.99,f=-0.44) USER MOD Single : A 72 LYS NZ :NH3+ 169:sc= 1.94 (180deg=1.8) USER MOD Single : A 73 MET CE :methyl 176:sc= -0.174 (180deg=-0.203) USER MOD Single : A 79 LYS NZ :NH3+ 159:sc= 1.49 (180deg=1.36) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN :FLIP amide:sc= -0.323 F(o=-1.8!,f=-0.32) USER MOD Single : A 89 CYS SG : rot 33:sc=0.000898 USER MOD Single : A 91 MET CE :methyl -178:sc= 0 (180deg=-0.00317) USER MOD Single : A 97 TYR OH : rot 165:sc= 1.38 USER MOD Single : A 104 CYS SG A: rot 104:sc= -6.17! USER MOD Single : A 104 CYS SG B: rot 180:sc= -0.488 USER MOD Single : A 114 SER OG : rot 103:sc= 0.739 USER MOD Single : A 121 SER OG : rot -43:sc= 2.3 USER MOD Single : A 124 GLN : amide:sc= 0.266 X(o=0.27,f=0.56) USER MOD Single : A 125 SER OG : rot -79:sc= 0.378 USER MOD Single : A 128 GLN B: amide:sc= -0.0138 X(o=-0.014,f=0.22) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 SER OG : rot 92:sc= 0.386 USER MOD Single : A 148 GLN : amide:sc= 1.16 K(o=1.2,f=-1.9!) USER MOD Single : A 159 SER OG : rot -79:sc= 1.87 USER MOD Single : A 161 TYR OH A: rot 180:sc= 0 USER MOD Single : A 161 TYR OH B: rot 180:sc= 0 USER MOD Single : A 162 CYS SG : rot 180:sc= -0.117 USER MOD Single : A 171 THR OG1 : rot 79:sc= 0.631 USER MOD Single : A 178 GLN :FLIP amide:sc= 0.718 F(o=0.016,f=0.72) USER MOD Single : A 185 GLN :FLIP amide:sc= 0.895 F(o=0.34!,f=0.9) USER MOD Single : A 189 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 191 SER OG : rot -47:sc= 2.32 USER MOD Single : A 198 SER OG : rot -173:sc= 1.06 USER MOD Single : A 201 GLN : amide:sc= 0.0539 K(o=0.054,f=-2.9!) USER MOD Single : A 202 THR OG1 : rot 71:sc= 0.497 USER MOD Single : A 207 GLN : amide:sc= -0.0168 K(o=-0.017,f=-1.1) USER MOD Single : A 209 GLN : amide:sc= -0.955! C(o=-0.96!,f=-4.4!) USER MOD Single : A 211 HIS : no HD1:sc= 2.95 K(o=3,f=-6!) USER MOD Single : A 213 CYS SG : rot -168:sc= 0.763 USER MOD Single : A 214 GLN : amide:sc= 1.05 K(o=1,f=-1.6!) USER MOD Single : A 217 GLN :FLIP amide:sc= 0.716 F(o=0.067!,f=0.72) USER MOD Single : A 219 ASN :FLIP amide:sc= -0.232 F(o=-6.3!,f=-0.23) USER MOD Single : A 221 LYS NZ :NH3+ -154:sc= 0.143 (180deg=-0.0182) USER MOD Single : A 222 THR OG1 : rot -167:sc= 1.26 USER MOD Single : A 228 LYS NZ A:NH3+ -166:sc= 0.11 (180deg=0.0752) USER MOD Single : A 228 LYS NZ B:NH3+ 179:sc= 0.0741 (180deg=0.0739) USER MOD Single : A 239 MET CE :methyl -121:sc= 0 (180deg=-0.544) USER MOD Single : A 241 GLN A:FLIP amide:sc= -0.199 F(o=-1.4,f=-0.2) USER MOD Single : A 401 EDO O1 : rot -14:sc= 0.498 USER MOD Single : A 402 EDO O1 : rot -13:sc= 0.275 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 6 -20.577 -35.633 26.621 1.00 40.29 N ATOM 2 CA LEU A 6 -20.217 -34.211 26.928 1.00 39.46 C ATOM 3 C LEU A 6 -20.398 -33.942 28.415 1.00 39.10 C ATOM 4 O LEU A 6 -19.891 -32.958 28.940 1.00 38.55 O ATOM 5 CB LEU A 6 -21.083 -33.244 26.117 1.00 39.29 C ATOM 6 CG LEU A 6 -20.762 -33.102 24.643 1.00 39.49 C ATOM 7 CD1 LEU A 6 -21.850 -32.310 24.004 1.00 38.77 C ATOM 8 CD2 LEU A 6 -19.414 -32.425 24.459 1.00 37.50 C ATOM 0 HA LEU A 6 -19.289 -34.070 26.685 1.00 39.46 H new ATOM 0 HB2 LEU A 6 -22.007 -33.527 26.198 1.00 39.29 H new ATOM 0 HB3 LEU A 6 -21.018 -32.367 26.525 1.00 39.29 H new ATOM 0 HG LEU A 6 -20.707 -33.976 24.225 1.00 39.49 H new ATOM 0 HD11 LEU A 6 -21.663 -32.207 23.058 1.00 38.77 H new ATOM 0 HD12 LEU A 6 -22.696 -32.771 24.118 1.00 38.77 H new ATOM 0 HD13 LEU A 6 -21.901 -31.435 24.420 1.00 38.77 H new ATOM 0 HD21 LEU A 6 -19.221 -32.340 23.512 1.00 37.50 H new ATOM 0 HD22 LEU A 6 -19.436 -31.544 24.864 1.00 37.50 H new ATOM 0 HD23 LEU A 6 -18.723 -32.958 24.883 1.00 37.50 H new ATOM 9 N SER A 7 -21.159 -34.804 29.088 1.00 39.52 N ATOM 10 CA SER A 7 -21.027 -34.904 30.519 1.00 39.05 C ATOM 11 C SER A 7 -19.591 -35.392 30.616 1.00 37.45 C ATOM 12 O SER A 7 -19.214 -36.465 30.109 1.00 38.72 O ATOM 13 CB SER A 7 -22.007 -35.918 31.129 1.00 39.93 C ATOM 0 H SER A 7 -21.744 -35.326 28.734 1.00 39.52 H new ATOM 0 HA SER A 7 -21.221 -34.083 30.998 1.00 39.05 H new ATOM 14 N LEU A 8 -18.774 -34.553 31.205 1.00 34.75 N ATOM 15 CA LEU A 8 -17.401 -34.899 31.449 1.00 31.49 C ATOM 16 C LEU A 8 -17.372 -35.555 32.824 1.00 32.00 C ATOM 17 O LEU A 8 -16.317 -35.754 33.406 1.00 30.16 O ATOM 18 CB LEU A 8 -16.571 -33.630 31.407 1.00 29.76 C ATOM 19 CG LEU A 8 -16.674 -32.870 30.084 1.00 27.07 C ATOM 20 CD1 LEU A 8 -16.104 -31.482 30.227 1.00 29.04 C ATOM 21 CD2 LEU A 8 -15.992 -33.609 28.915 1.00 28.86 C ATOM 0 H LEU A 8 -18.999 -33.768 31.474 1.00 34.75 H new ATOM 0 HA LEU A 8 -17.035 -35.506 30.787 1.00 31.49 H new ATOM 0 HB2 LEU A 8 -16.851 -33.046 32.129 1.00 29.76 H new ATOM 0 HB3 LEU A 8 -15.642 -33.856 31.569 1.00 29.76 H new ATOM 0 HG LEU A 8 -17.618 -32.811 29.869 1.00 27.07 H new ATOM 0 HD11 LEU A 8 -16.177 -31.013 29.381 1.00 29.04 H new ATOM 0 HD12 LEU A 8 -16.597 -30.998 30.908 1.00 29.04 H new ATOM 0 HD13 LEU A 8 -15.171 -31.540 30.485 1.00 29.04 H new ATOM 0 HD21 LEU A 8 -16.086 -33.087 28.103 1.00 28.86 H new ATOM 0 HD22 LEU A 8 -15.050 -33.730 29.114 1.00 28.86 H new ATOM 0 HD23 LEU A 8 -16.410 -34.475 28.792 1.00 28.86 H new ATOM 22 N THR A 9 -18.557 -35.880 33.341 1.00 33.07 N ATOM 23 CA THR A 9 -18.640 -36.539 34.654 1.00 34.84 C ATOM 24 C THR A 9 -17.992 -37.921 34.675 1.00 34.46 C ATOM 25 O THR A 9 -17.461 -38.341 35.702 1.00 36.43 O ATOM 26 CB THR A 9 -20.081 -36.583 35.220 1.00 36.18 C ATOM 27 OG1 THR A 9 -20.927 -37.352 34.351 1.00 37.20 O ATOM 28 CG2 THR A 9 -20.620 -35.167 35.359 1.00 36.87 C ATOM 0 H THR A 9 -19.313 -35.733 32.959 1.00 33.07 H new ATOM 0 HA THR A 9 -18.119 -35.976 35.248 1.00 34.84 H new ATOM 0 HB THR A 9 -20.068 -37.004 36.094 1.00 36.18 H new ATOM 0 HG1 THR A 9 -21.706 -37.373 34.665 1.00 37.20 H new ATOM 0 HG21 THR A 9 -21.522 -35.197 35.714 1.00 36.87 H new ATOM 0 HG22 THR A 9 -20.053 -34.662 35.963 1.00 36.87 H new ATOM 0 HG23 THR A 9 -20.629 -34.737 34.489 1.00 36.87 H new ATOM 29 N ASN A 10 -18.007 -38.609 33.542 1.00 33.87 N ATOM 30 CA ASN A 10 -17.370 -39.922 33.405 1.00 33.11 C ATOM 31 C ASN A 10 -15.904 -39.874 32.972 1.00 31.70 C ATOM 32 O ASN A 10 -15.282 -40.918 32.746 1.00 31.42 O ATOM 33 CB ASN A 10 -18.165 -40.798 32.417 1.00 34.98 C ATOM 0 H ASN A 10 -18.388 -38.330 32.823 1.00 33.87 H new ATOM 0 HA ASN A 10 -17.379 -40.307 34.295 1.00 33.11 H new ATOM 34 N SER A 11 -15.349 -38.667 32.820 1.00 28.47 N ATOM 35 CA SER A 11 -13.938 -38.543 32.433 1.00 25.88 C ATOM 36 C SER A 11 -12.967 -38.926 33.542 1.00 26.62 C ATOM 37 O SER A 11 -12.987 -38.314 34.611 1.00 27.61 O ATOM 38 CB SER A 11 -13.633 -37.123 31.971 1.00 24.50 C ATOM 39 OG SER A 11 -12.240 -36.915 31.756 1.00 19.41 O ATOM 0 H SER A 11 -15.762 -37.921 32.933 1.00 28.47 H new ATOM 0 HA SER A 11 -13.808 -39.172 31.706 1.00 25.88 H new ATOM 0 HB2 SER A 11 -14.116 -36.941 31.150 1.00 24.50 H new ATOM 0 HB3 SER A 11 -13.954 -36.493 32.635 1.00 24.50 H new ATOM 0 HG SER A 11 -12.022 -37.230 31.008 1.00 19.41 H new ATOM 40 N SER A 12 -12.056 -39.851 33.244 1.00 26.73 N ATOM 41 CA SER A 12 -10.924 -40.195 34.152 1.00 27.36 C ATOM 42 C SER A 12 -9.890 -39.063 34.262 1.00 24.91 C ATOM 43 O SER A 12 -9.320 -38.835 35.345 1.00 25.87 O ATOM 44 CB SER A 12 -10.214 -41.481 33.676 1.00 28.17 C ATOM 45 OG SER A 12 -9.531 -41.285 32.417 1.00 32.33 O ATOM 0 H SER A 12 -12.065 -40.304 32.513 1.00 26.73 H new ATOM 0 HA SER A 12 -11.312 -40.334 35.030 1.00 27.36 H new ATOM 0 HB2 SER A 12 -9.576 -41.766 34.349 1.00 28.17 H new ATOM 0 HB3 SER A 12 -10.865 -42.194 33.583 1.00 28.17 H new ATOM 0 HG SER A 12 -9.947 -40.718 31.958 1.00 32.33 H new ATOM 46 N LEU A 13 -9.664 -38.340 33.170 1.00 21.72 N ATOM 47 CA LEU A 13 -8.649 -37.305 33.180 1.00 19.33 C ATOM 48 C LEU A 13 -9.097 -36.005 33.837 1.00 18.93 C ATOM 49 O LEU A 13 -8.319 -35.361 34.512 1.00 16.40 O ATOM 50 CB LEU A 13 -8.196 -36.962 31.777 1.00 19.21 C ATOM 51 CG LEU A 13 -7.434 -38.068 31.060 1.00 18.57 C ATOM 52 CD1 LEU A 13 -6.962 -37.581 29.726 1.00 17.03 C ATOM 53 CD2 LEU A 13 -6.217 -38.598 31.873 1.00 21.49 C ATOM 0 H LEU A 13 -10.083 -38.434 32.425 1.00 21.72 H new ATOM 0 HA LEU A 13 -7.926 -37.685 33.703 1.00 19.33 H new ATOM 0 HB2 LEU A 13 -8.975 -36.728 31.248 1.00 19.21 H new ATOM 0 HB3 LEU A 13 -7.633 -36.173 31.817 1.00 19.21 H new ATOM 0 HG LEU A 13 -8.054 -38.807 30.954 1.00 18.57 H new ATOM 0 HD11 LEU A 13 -6.478 -38.290 29.275 1.00 17.03 H new ATOM 0 HD12 LEU A 13 -7.726 -37.319 29.188 1.00 17.03 H new ATOM 0 HD13 LEU A 13 -6.376 -36.818 29.849 1.00 17.03 H new ATOM 0 HD21 LEU A 13 -5.771 -39.298 31.370 1.00 21.49 H new ATOM 0 HD22 LEU A 13 -5.595 -37.871 32.036 1.00 21.49 H new ATOM 0 HD23 LEU A 13 -6.525 -38.956 32.720 1.00 21.49 H new ATOM 54 N MET A 14 -10.336 -35.629 33.599 1.00 18.33 N ATOM 55 CA AMET A 14 -10.821 -34.311 33.989 0.50 19.20 C ATOM 56 CA BMET A 14 -10.822 -34.294 33.999 0.50 18.32 C ATOM 57 C MET A 14 -10.436 -33.880 35.411 1.00 20.30 C ATOM 58 O MET A 14 -9.928 -32.793 35.610 1.00 20.04 O ATOM 59 CB AMET A 14 -12.330 -34.263 33.777 0.50 19.44 C ATOM 60 CB BMET A 14 -12.341 -34.152 33.816 0.50 18.13 C ATOM 61 CG AMET A 14 -12.969 -32.979 34.129 0.50 20.78 C ATOM 62 CG BMET A 14 -12.798 -33.636 32.470 0.50 14.76 C ATOM 63 SD AMET A 14 -12.503 -31.696 32.953 0.50 20.22 S ATOM 64 SD BMET A 14 -12.377 -31.889 32.159 0.50 12.85 S ATOM 65 CE AMET A 14 -13.800 -30.517 33.383 0.50 20.73 C ATOM 66 CE BMET A 14 -13.457 -31.074 33.346 0.50 16.54 C ATOM 0 H AMET A 14 -10.922 -36.123 33.209 0.50 18.33 H new ATOM 0 H BMET A 14 -10.923 -36.121 33.208 0.50 18.33 H new ATOM 0 HA AMET A 14 -10.376 -33.663 33.420 0.50 18.32 H new ATOM 0 HA BMET A 14 -10.366 -33.687 33.395 0.50 18.32 H new ATOM 0 HB2AMET A 14 -12.519 -34.458 32.846 0.50 18.13 H new ATOM 0 HB2BMET A 14 -12.750 -35.019 33.967 0.50 18.13 H new ATOM 0 HB3AMET A 14 -12.740 -34.968 34.303 0.50 18.13 H new ATOM 0 HB3BMET A 14 -12.678 -33.556 34.503 0.50 18.13 H new ATOM 0 HG2AMET A 14 -13.933 -33.083 34.136 0.50 14.76 H new ATOM 0 HG2BMET A 14 -12.402 -34.183 31.774 0.50 14.76 H new ATOM 0 HG3AMET A 14 -12.705 -32.715 35.024 0.50 14.76 H new ATOM 0 HG3BMET A 14 -13.760 -33.744 32.403 0.50 14.76 H new ATOM 0 HE1AMET A 14 -13.876 -29.850 32.683 0.50 16.54 H new ATOM 0 HE1BMET A 14 -13.529 -30.132 33.125 0.50 16.54 H new ATOM 0 HE2AMET A 14 -14.645 -30.985 33.477 0.50 16.54 H new ATOM 0 HE2BMET A 14 -14.337 -31.481 33.315 0.50 16.54 H new ATOM 0 HE3AMET A 14 -13.577 -30.082 34.221 0.50 16.54 H new ATOM 0 HE3BMET A 14 -13.088 -31.169 34.238 0.50 16.54 H new ATOM 67 N PRO A 15 -10.682 -34.746 36.427 1.00 21.86 N ATOM 68 CA PRO A 15 -10.380 -34.237 37.773 1.00 23.56 C ATOM 69 C PRO A 15 -8.900 -33.898 38.063 1.00 22.33 C ATOM 70 O PRO A 15 -8.619 -33.192 39.030 1.00 24.27 O ATOM 71 CB PRO A 15 -10.854 -35.361 38.705 1.00 24.21 C ATOM 72 CG PRO A 15 -11.621 -36.344 37.847 1.00 25.07 C ATOM 73 CD PRO A 15 -11.115 -36.165 36.450 1.00 24.19 C ATOM 0 HA PRO A 15 -10.821 -33.382 37.893 1.00 23.56 H new ATOM 0 HB2 PRO A 15 -10.099 -35.794 39.134 1.00 24.21 H new ATOM 0 HB3 PRO A 15 -11.417 -35.008 39.411 1.00 24.21 H new ATOM 0 HG2 PRO A 15 -11.480 -37.254 38.152 1.00 25.07 H new ATOM 0 HG3 PRO A 15 -12.575 -36.174 37.894 1.00 25.07 H new ATOM 0 HD2 PRO A 15 -10.380 -36.767 36.255 1.00 24.19 H new ATOM 0 HD3 PRO A 15 -11.807 -36.339 35.793 1.00 24.19 H new ATOM 74 N THR A 16 -7.992 -34.320 37.189 1.00 20.77 N ATOM 75 CA THR A 16 -6.577 -34.233 37.416 1.00 20.52 C ATOM 76 C THR A 16 -5.943 -33.180 36.446 1.00 18.12 C ATOM 77 O THR A 16 -4.714 -33.012 36.393 1.00 17.97 O ATOM 78 CB THR A 16 -5.936 -35.619 37.081 1.00 20.71 C ATOM 79 OG1 THR A 16 -5.838 -35.785 35.657 1.00 24.52 O ATOM 80 CG2 THR A 16 -6.754 -36.806 37.674 1.00 22.95 C ATOM 0 H THR A 16 -8.198 -34.672 36.432 1.00 20.77 H new ATOM 0 HA THR A 16 -6.418 -33.978 38.338 1.00 20.52 H new ATOM 0 HB THR A 16 -5.054 -35.629 37.484 1.00 20.71 H new ATOM 0 HG1 THR A 16 -6.594 -35.671 35.309 1.00 24.52 H new ATOM 0 HG21 THR A 16 -6.323 -37.644 37.443 1.00 22.95 H new ATOM 0 HG22 THR A 16 -6.796 -36.720 38.639 1.00 22.95 H new ATOM 0 HG23 THR A 16 -7.653 -36.794 37.309 1.00 22.95 H new ATOM 81 N LEU A 17 -6.779 -32.520 35.641 1.00 15.83 N ATOM 82 CA LEU A 17 -6.227 -31.567 34.688 1.00 13.72 C ATOM 83 C LEU A 17 -6.086 -30.173 35.271 1.00 13.41 C ATOM 84 O LEU A 17 -6.822 -29.772 36.196 1.00 14.21 O ATOM 85 CB LEU A 17 -7.111 -31.450 33.456 1.00 13.54 C ATOM 86 CG LEU A 17 -7.188 -32.788 32.697 1.00 14.91 C ATOM 87 CD1 LEU A 17 -8.256 -32.751 31.624 1.00 14.72 C ATOM 88 CD2 LEU A 17 -5.815 -33.223 32.097 1.00 17.39 C ATOM 0 H LEU A 17 -7.635 -32.606 35.631 1.00 15.83 H new ATOM 0 HA LEU A 17 -5.350 -31.912 34.457 1.00 13.72 H new ATOM 0 HB2 LEU A 17 -8.002 -31.173 33.720 1.00 13.54 H new ATOM 0 HB3 LEU A 17 -6.762 -30.762 32.869 1.00 13.54 H new ATOM 0 HG LEU A 17 -7.434 -33.459 33.353 1.00 14.91 H new ATOM 0 HD11 LEU A 17 -8.282 -33.604 31.164 1.00 14.72 H new ATOM 0 HD12 LEU A 17 -9.119 -32.578 32.032 1.00 14.72 H new ATOM 0 HD13 LEU A 17 -8.052 -32.047 30.988 1.00 14.72 H new ATOM 0 HD21 LEU A 17 -5.918 -34.068 31.632 1.00 17.39 H new ATOM 0 HD22 LEU A 17 -5.505 -32.547 31.474 1.00 17.39 H new ATOM 0 HD23 LEU A 17 -5.167 -33.325 32.812 1.00 17.39 H new ATOM 89 N ASN A 18 -5.147 -29.438 34.673 1.00 10.78 N ATOM 90 CA ASN A 18 -4.978 -27.989 34.992 1.00 12.04 C ATOM 91 C ASN A 18 -6.351 -27.291 35.072 1.00 11.62 C ATOM 92 O ASN A 18 -7.217 -27.528 34.214 1.00 10.86 O ATOM 93 CB ASN A 18 -4.133 -27.368 33.883 1.00 11.97 C ATOM 94 CG ASN A 18 -4.103 -25.861 33.969 1.00 13.82 C ATOM 95 OD1 ASN A 18 -5.015 -25.215 33.431 1.00 15.65 O ATOM 96 ND2 ASN A 18 -3.090 -25.306 34.573 1.00 14.08 N ATOM 0 H ASN A 18 -4.598 -29.742 34.085 1.00 10.78 H new ATOM 0 HA ASN A 18 -4.543 -27.882 35.852 1.00 12.04 H new ATOM 0 HB2 ASN A 18 -3.228 -27.712 33.937 1.00 11.97 H new ATOM 0 HB3 ASN A 18 -4.487 -27.635 33.020 1.00 11.97 H new ATOM 0 HD21 ASN A 18 -3.030 -24.449 34.613 1.00 14.08 H new ATOM 0 HD22 ASN A 18 -2.482 -25.797 34.932 1.00 14.08 H new ATOM 97 N PRO A 19 -6.554 -26.374 36.044 1.00 11.49 N ATOM 98 CA PRO A 19 -7.869 -25.733 36.183 1.00 12.04 C ATOM 99 C PRO A 19 -8.385 -24.949 34.985 1.00 10.36 C ATOM 100 O PRO A 19 -9.607 -24.907 34.753 1.00 10.74 O ATOM 101 CB PRO A 19 -7.672 -24.772 37.390 1.00 13.45 C ATOM 102 CG PRO A 19 -6.614 -25.449 38.152 1.00 16.98 C ATOM 103 CD PRO A 19 -5.644 -26.004 37.143 1.00 12.56 C ATOM 0 HA PRO A 19 -8.544 -26.422 36.288 1.00 12.04 H new ATOM 0 HB2 PRO A 19 -7.404 -23.884 37.107 1.00 13.45 H new ATOM 0 HB3 PRO A 19 -8.485 -24.670 37.909 1.00 13.45 H new ATOM 0 HG2 PRO A 19 -6.170 -24.829 38.752 1.00 16.98 H new ATOM 0 HG3 PRO A 19 -6.984 -26.158 38.701 1.00 16.98 H new ATOM 0 HD2 PRO A 19 -4.986 -25.347 36.868 1.00 12.56 H new ATOM 0 HD3 PRO A 19 -5.155 -26.768 37.487 1.00 12.56 H new ATOM 104 N MET A 20 -7.510 -24.249 34.278 1.00 9.65 N ATOM 105 CA AMET A 20 -7.950 -23.557 33.073 0.50 8.76 C ATOM 106 CA BMET A 20 -7.998 -23.559 33.081 0.50 8.92 C ATOM 107 C MET A 20 -8.451 -24.567 32.040 1.00 10.13 C ATOM 108 O MET A 20 -9.490 -24.363 31.425 1.00 9.05 O ATOM 109 CB AMET A 20 -6.799 -22.712 32.521 0.50 9.91 C ATOM 110 CB BMET A 20 -6.986 -22.568 32.490 0.50 10.01 C ATOM 111 CG AMET A 20 -7.180 -21.837 31.354 0.50 7.87 C ATOM 112 CG BMET A 20 -7.613 -21.676 31.399 0.50 9.39 C ATOM 113 SD AMET A 20 -5.746 -20.968 30.718 0.50 11.67 S ATOM 114 SD BMET A 20 -6.393 -20.660 30.598 0.50 12.27 S ATOM 115 CE AMET A 20 -6.534 -20.084 29.355 0.50 7.88 C ATOM 116 CE BMET A 20 -5.831 -21.668 29.231 0.50 13.13 C ATOM 0 H AMET A 20 -6.676 -24.162 34.471 0.50 9.65 H new ATOM 0 H BMET A 20 -6.673 -24.159 34.455 0.50 9.65 H new ATOM 0 HA AMET A 20 -8.688 -22.964 33.286 0.50 8.92 H new ATOM 0 HA BMET A 20 -8.758 -23.024 33.359 0.50 8.92 H new ATOM 0 HB2AMET A 20 -6.452 -22.152 33.233 0.50 10.01 H new ATOM 0 HB2BMET A 20 -6.632 -22.009 33.199 0.50 10.01 H new ATOM 0 HB3AMET A 20 -6.079 -23.302 32.248 0.50 10.01 H new ATOM 0 HB3BMET A 20 -6.238 -23.058 32.114 0.50 10.01 H new ATOM 0 HG2AMET A 20 -7.573 -22.379 30.652 0.50 9.39 H new ATOM 0 HG2BMET A 20 -8.054 -22.233 30.739 0.50 9.39 H new ATOM 0 HG3AMET A 20 -7.855 -21.198 31.630 0.50 9.39 H new ATOM 0 HG3BMET A 20 -8.295 -21.111 31.795 0.50 9.39 H new ATOM 0 HE1AMET A 20 -6.023 -19.286 29.148 0.50 13.13 H new ATOM 0 HE1BMET A 20 -5.556 -21.095 28.498 0.50 13.13 H new ATOM 0 HE2AMET A 20 -6.568 -20.658 28.574 0.50 13.13 H new ATOM 0 HE2BMET A 20 -5.079 -22.211 29.516 0.50 13.13 H new ATOM 0 HE3AMET A 20 -7.435 -19.832 29.610 0.50 13.13 H new ATOM 0 HE3BMET A 20 -6.553 -22.245 28.936 0.50 13.13 H new ATOM 117 N ILE A 21 -7.694 -25.652 31.861 1.00 9.25 N ATOM 118 CA ILE A 21 -8.156 -26.723 30.983 1.00 8.39 C ATOM 119 C ILE A 21 -9.528 -27.231 31.403 1.00 8.79 C ATOM 120 O ILE A 21 -10.405 -27.418 30.563 1.00 10.08 O ATOM 121 CB ILE A 21 -7.108 -27.828 30.870 1.00 7.55 C ATOM 122 CG1 ILE A 21 -6.012 -27.334 29.932 1.00 9.15 C ATOM 123 CG2 ILE A 21 -7.765 -29.120 30.357 1.00 11.01 C ATOM 124 CD1 ILE A 21 -4.780 -28.328 29.912 1.00 12.82 C ATOM 0 H ILE A 21 -6.928 -25.784 32.230 1.00 9.25 H new ATOM 0 HA ILE A 21 -8.269 -26.363 30.089 1.00 8.39 H new ATOM 0 HB ILE A 21 -6.718 -28.033 31.734 1.00 7.55 H new ATOM 0 HG12 ILE A 21 -6.369 -27.240 29.035 1.00 9.15 H new ATOM 0 HG13 ILE A 21 -5.716 -26.454 30.213 1.00 9.15 H new ATOM 0 HG21 ILE A 21 -7.095 -29.818 30.287 1.00 11.01 H new ATOM 0 HG22 ILE A 21 -8.458 -29.398 30.976 1.00 11.01 H new ATOM 0 HG23 ILE A 21 -8.157 -28.960 29.484 1.00 11.01 H new ATOM 0 HD11 ILE A 21 -4.100 -27.989 29.309 1.00 12.82 H new ATOM 0 HD12 ILE A 21 -4.410 -28.403 30.806 1.00 12.82 H new ATOM 0 HD13 ILE A 21 -5.074 -29.202 29.610 1.00 12.82 H new ATOM 125 N GLN A 22 -9.708 -27.490 32.703 1.00 8.65 N ATOM 126 CA GLN A 22 -11.033 -27.968 33.147 1.00 9.16 C ATOM 127 C GLN A 22 -12.159 -26.985 32.766 1.00 9.64 C ATOM 128 O GLN A 22 -13.210 -27.384 32.319 1.00 9.89 O ATOM 129 CB GLN A 22 -11.075 -28.174 34.661 1.00 10.47 C ATOM 130 CG GLN A 22 -10.126 -29.267 35.128 1.00 10.66 C ATOM 131 CD GLN A 22 -10.226 -29.412 36.651 1.00 18.01 C ATOM 132 OE1 GLN A 22 -10.388 -28.423 37.361 1.00 19.63 O ATOM 133 NE2 GLN A 22 -10.152 -30.641 37.148 1.00 19.38 N ATOM 0 H GLN A 22 -9.113 -27.403 33.318 1.00 8.65 H new ATOM 0 HA GLN A 22 -11.176 -28.814 32.694 1.00 9.16 H new ATOM 0 HB2 GLN A 22 -10.847 -27.342 35.104 1.00 10.47 H new ATOM 0 HB3 GLN A 22 -11.980 -28.400 34.929 1.00 10.47 H new ATOM 0 HG2 GLN A 22 -10.348 -30.108 34.698 1.00 10.66 H new ATOM 0 HG3 GLN A 22 -9.216 -29.050 34.873 1.00 10.66 H new ATOM 0 HE21 GLN A 22 -10.038 -31.312 36.622 1.00 19.38 H new ATOM 0 HE22 GLN A 22 -10.218 -30.767 37.996 1.00 19.38 H new ATOM 134 N GLN A 23 -11.939 -25.678 33.008 1.00 10.53 N ATOM 135 CA GLN A 23 -13.000 -24.721 32.699 1.00 10.28 C ATOM 136 C GLN A 23 -13.248 -24.624 31.227 1.00 10.64 C ATOM 137 O GLN A 23 -14.369 -24.442 30.800 1.00 9.79 O ATOM 138 CB GLN A 23 -12.590 -23.296 33.242 1.00 10.97 C ATOM 139 CG GLN A 23 -12.651 -23.158 34.791 1.00 13.12 C ATOM 140 CD GLN A 23 -14.106 -23.206 35.340 1.00 14.27 C ATOM 141 OE1 GLN A 23 -15.078 -23.311 34.599 1.00 15.94 O ATOM 142 NE2 GLN A 23 -14.227 -23.118 36.649 1.00 19.34 N ATOM 0 H GLN A 23 -11.217 -25.345 33.335 1.00 10.53 H new ATOM 0 HA GLN A 23 -13.814 -25.032 33.125 1.00 10.28 H new ATOM 0 HB2 GLN A 23 -11.688 -23.096 32.945 1.00 10.97 H new ATOM 0 HB3 GLN A 23 -13.174 -22.630 32.845 1.00 10.97 H new ATOM 0 HG2 GLN A 23 -12.132 -23.871 35.196 1.00 13.12 H new ATOM 0 HG3 GLN A 23 -12.237 -22.321 35.054 1.00 13.12 H new ATOM 0 HE21 GLN A 23 -13.526 -23.045 37.142 1.00 19.34 H new ATOM 0 HE22 GLN A 23 -15.007 -23.133 37.011 1.00 19.34 H new ATOM 143 N LEU A 24 -12.203 -24.773 30.415 1.00 8.40 N ATOM 144 CA ALEU A 24 -12.391 -24.735 28.956 0.30 8.44 C ATOM 145 CA BLEU A 24 -12.419 -24.731 28.962 0.70 8.46 C ATOM 146 C LEU A 24 -13.191 -25.954 28.470 1.00 9.22 C ATOM 147 O LEU A 24 -14.084 -25.836 27.613 1.00 7.63 O ATOM 148 CB ALEU A 24 -11.032 -24.650 28.240 0.30 8.08 C ATOM 149 CB BLEU A 24 -11.078 -24.595 28.214 0.70 8.11 C ATOM 150 CG ALEU A 24 -11.026 -24.226 26.768 0.30 7.41 C ATOM 151 CG BLEU A 24 -10.610 -23.142 28.138 0.70 8.04 C ATOM 152 CD1ALEU A 24 -12.066 -23.168 26.445 0.30 8.82 C ATOM 153 CD1BLEU A 24 -9.107 -23.178 27.802 0.70 10.41 C ATOM 154 CD2ALEU A 24 -9.631 -23.720 26.401 0.30 7.76 C ATOM 155 CD2BLEU A 24 -11.404 -22.304 27.130 0.70 11.69 C ATOM 0 H ALEU A 24 -11.393 -24.895 30.676 0.30 8.40 H new ATOM 0 H BLEU A 24 -11.390 -24.895 30.668 0.70 8.40 H new ATOM 0 HA ALEU A 24 -12.902 -23.940 28.738 0.30 8.46 H new ATOM 0 HA BLEU A 24 -12.959 -23.949 28.770 0.70 8.46 H new ATOM 0 HB2ALEU A 24 -10.474 -24.027 28.732 0.30 8.11 H new ATOM 0 HB2BLEU A 24 -10.403 -25.128 28.662 0.70 8.11 H new ATOM 0 HB3ALEU A 24 -10.608 -25.520 28.301 0.30 8.11 H new ATOM 0 HB3BLEU A 24 -11.171 -24.951 27.317 0.70 8.11 H new ATOM 0 HG ALEU A 24 -11.258 -25.006 26.240 0.30 8.04 H new ATOM 0 HG BLEU A 24 -10.766 -22.702 28.988 0.70 8.04 H new ATOM 0 HD11ALEU A 24 -12.015 -22.941 25.503 0.30 10.41 H new ATOM 0 HD11BLEU A 24 -8.766 -22.272 27.744 0.70 10.41 H new ATOM 0 HD12ALEU A 24 -12.951 -23.511 26.647 0.30 10.41 H new ATOM 0 HD12BLEU A 24 -8.631 -23.658 28.498 0.70 10.41 H new ATOM 0 HD13ALEU A 24 -11.898 -22.375 26.978 0.30 10.41 H new ATOM 0 HD13BLEU A 24 -8.976 -23.627 26.952 0.70 10.41 H new ATOM 0 HD21ALEU A 24 -9.619 -23.449 25.470 0.30 11.69 H new ATOM 0 HD21BLEU A 24 -11.064 -21.395 27.125 0.70 11.69 H new ATOM 0 HD22ALEU A 24 -9.404 -22.961 26.961 0.30 11.69 H new ATOM 0 HD22BLEU A 24 -11.310 -22.688 26.244 0.70 11.69 H new ATOM 0 HD23ALEU A 24 -8.983 -24.428 26.540 0.30 11.69 H new ATOM 0 HD23BLEU A 24 -12.341 -22.297 27.381 0.70 11.69 H new ATOM 156 N ALA A 25 -12.880 -27.115 29.049 1.00 7.89 N ATOM 157 CA ALA A 25 -13.554 -28.357 28.630 1.00 9.06 C ATOM 158 C ALA A 25 -15.021 -28.180 28.996 1.00 8.67 C ATOM 159 O ALA A 25 -15.901 -28.488 28.173 1.00 10.00 O ATOM 160 CB ALA A 25 -12.924 -29.526 29.362 1.00 8.88 C ATOM 0 H ALA A 25 -12.296 -27.210 29.673 1.00 7.89 H new ATOM 0 HA ALA A 25 -13.468 -28.534 27.680 1.00 9.06 H new ATOM 0 HB1 ALA A 25 -13.361 -30.349 29.093 1.00 8.88 H new ATOM 0 HB2 ALA A 25 -11.980 -29.575 29.143 1.00 8.88 H new ATOM 0 HB3 ALA A 25 -13.028 -29.403 30.319 1.00 8.88 H new ATOM 161 N LEU A 26 -15.276 -27.647 30.204 1.00 9.53 N ATOM 162 CA LEU A 26 -16.657 -27.459 30.534 1.00 10.80 C ATOM 163 C LEU A 26 -17.387 -26.486 29.620 1.00 9.53 C ATOM 164 O LEU A 26 -18.568 -26.704 29.317 1.00 11.21 O ATOM 165 CB LEU A 26 -16.768 -26.984 31.995 1.00 11.44 C ATOM 166 CG LEU A 26 -18.106 -26.905 32.693 1.00 16.62 C ATOM 167 CD1 LEU A 26 -18.556 -28.367 33.024 1.00 22.40 C ATOM 168 CD2 LEU A 26 -17.956 -26.085 33.952 1.00 17.92 C ATOM 0 H LEU A 26 -14.697 -27.409 30.794 1.00 9.53 H new ATOM 0 HA LEU A 26 -17.091 -28.318 30.411 1.00 10.80 H new ATOM 0 HB2 LEU A 26 -16.205 -27.569 32.526 1.00 11.44 H new ATOM 0 HB3 LEU A 26 -16.375 -26.098 32.036 1.00 11.44 H new ATOM 0 HG LEU A 26 -18.775 -26.480 32.134 1.00 16.62 H new ATOM 0 HD11 LEU A 26 -19.415 -28.347 33.474 1.00 22.40 H new ATOM 0 HD12 LEU A 26 -18.634 -28.876 32.202 1.00 22.40 H new ATOM 0 HD13 LEU A 26 -17.898 -28.785 33.601 1.00 22.40 H new ATOM 0 HD21 LEU A 26 -18.811 -26.030 34.406 1.00 17.92 H new ATOM 0 HD22 LEU A 26 -17.306 -26.506 34.537 1.00 17.92 H new ATOM 0 HD23 LEU A 26 -17.654 -25.192 33.723 1.00 17.92 H new ATOM 169 N ALA A 27 -16.735 -25.371 29.258 1.00 8.05 N ATOM 170 CA ALA A 27 -17.317 -24.375 28.401 1.00 8.68 C ATOM 171 C ALA A 27 -17.642 -24.935 27.011 1.00 8.58 C ATOM 172 O ALA A 27 -18.682 -24.592 26.439 1.00 9.06 O ATOM 173 CB ALA A 27 -16.391 -23.173 28.338 1.00 9.53 C ATOM 0 H ALA A 27 -15.935 -25.186 29.515 1.00 8.05 H new ATOM 0 HA ALA A 27 -18.167 -24.093 28.773 1.00 8.68 H new ATOM 0 HB1 ALA A 27 -16.778 -22.496 27.761 1.00 9.53 H new ATOM 0 HB2 ALA A 27 -16.273 -22.808 29.229 1.00 9.53 H new ATOM 0 HB3 ALA A 27 -15.530 -23.446 27.984 1.00 9.53 H new ATOM 174 N ILE A 28 -16.721 -25.750 26.504 1.00 7.69 N ATOM 175 CA ILE A 28 -16.945 -26.287 25.175 1.00 8.24 C ATOM 176 C ILE A 28 -18.121 -27.304 25.260 1.00 9.39 C ATOM 177 O ILE A 28 -19.033 -27.267 24.466 1.00 8.16 O ATOM 178 CB ILE A 28 -15.648 -26.987 24.663 1.00 7.42 C ATOM 179 CG1 ILE A 28 -14.620 -25.893 24.336 1.00 8.03 C ATOM 180 CG2 ILE A 28 -16.005 -27.859 23.418 1.00 8.94 C ATOM 181 CD1 ILE A 28 -13.187 -26.465 24.277 1.00 10.08 C ATOM 0 H ILE A 28 -15.994 -25.993 26.894 1.00 7.69 H new ATOM 0 HA ILE A 28 -17.168 -25.578 24.552 1.00 8.24 H new ATOM 0 HB ILE A 28 -15.265 -27.577 25.331 1.00 7.42 H new ATOM 0 HG12 ILE A 28 -14.841 -25.483 23.485 1.00 8.03 H new ATOM 0 HG13 ILE A 28 -14.664 -25.195 25.008 1.00 8.03 H new ATOM 0 HG21 ILE A 28 -15.205 -28.299 23.091 1.00 8.94 H new ATOM 0 HG22 ILE A 28 -16.662 -28.527 23.668 1.00 8.94 H new ATOM 0 HG23 ILE A 28 -16.370 -27.293 22.720 1.00 8.94 H new ATOM 0 HD11 ILE A 28 -12.562 -25.753 24.069 1.00 10.08 H new ATOM 0 HD12 ILE A 28 -12.958 -26.855 25.135 1.00 10.08 H new ATOM 0 HD13 ILE A 28 -13.139 -27.147 23.589 1.00 10.08 H new ATOM 182 N ALA A 29 -18.068 -28.236 26.226 1.00 8.87 N ATOM 183 CA ALA A 29 -19.194 -29.177 26.434 1.00 10.43 C ATOM 184 C ALA A 29 -20.505 -28.447 26.604 1.00 10.28 C ATOM 185 O ALA A 29 -21.530 -28.877 26.003 1.00 11.72 O ATOM 186 CB ALA A 29 -18.897 -30.102 27.634 1.00 11.85 C ATOM 0 H ALA A 29 -17.405 -28.342 26.763 1.00 8.87 H new ATOM 0 HA ALA A 29 -19.283 -29.727 25.640 1.00 10.43 H new ATOM 0 HB1 ALA A 29 -19.639 -30.714 27.763 1.00 11.85 H new ATOM 0 HB2 ALA A 29 -18.088 -30.608 27.461 1.00 11.85 H new ATOM 0 HB3 ALA A 29 -18.778 -29.566 28.434 1.00 11.85 H new ATOM 187 N ALA A 30 -20.531 -27.359 27.392 1.00 10.07 N ATOM 188 CA ALA A 30 -21.785 -26.587 27.560 1.00 11.18 C ATOM 189 C ALA A 30 -22.309 -25.993 26.272 1.00 12.09 C ATOM 190 O ALA A 30 -23.548 -25.919 26.013 1.00 12.45 O ATOM 191 CB ALA A 30 -21.599 -25.506 28.623 1.00 12.54 C ATOM 0 H ALA A 30 -19.855 -27.055 27.828 1.00 10.07 H new ATOM 0 HA ALA A 30 -22.461 -27.218 27.853 1.00 11.18 H new ATOM 0 HB1 ALA A 30 -22.424 -25.007 28.725 1.00 12.54 H new ATOM 0 HB2 ALA A 30 -21.365 -25.920 29.468 1.00 12.54 H new ATOM 0 HB3 ALA A 30 -20.889 -24.903 28.351 1.00 12.54 H new ATOM 192 N SER A 31 -21.373 -25.537 25.433 1.00 9.96 N ATOM 193 CA ASER A 31 -21.721 -24.956 24.164 0.50 10.31 C ATOM 194 CA BSER A 31 -21.780 -24.947 24.176 0.50 10.77 C ATOM 195 C SER A 31 -22.380 -26.007 23.258 1.00 10.29 C ATOM 196 O SER A 31 -23.294 -25.732 22.513 1.00 11.70 O ATOM 197 CB ASER A 31 -20.464 -24.396 23.526 0.50 11.06 C ATOM 198 CB BSER A 31 -20.622 -24.254 23.489 0.50 11.53 C ATOM 199 OG ASER A 31 -20.706 -24.111 22.172 0.50 9.61 O ATOM 200 OG BSER A 31 -19.761 -25.204 22.900 0.50 12.51 O ATOM 0 H ASER A 31 -20.529 -25.562 25.594 0.50 9.96 H new ATOM 0 H BSER A 31 -20.525 -25.562 25.574 0.50 9.96 H new ATOM 0 HA ASER A 31 -22.361 -24.239 24.292 0.50 10.77 H new ATOM 0 HA BSER A 31 -22.456 -24.279 24.370 0.50 10.77 H new ATOM 0 HB2ASER A 31 -20.186 -23.591 23.990 0.50 11.53 H new ATOM 0 HB2BSER A 31 -20.957 -23.647 22.810 0.50 11.53 H new ATOM 0 HB3ASER A 31 -19.738 -25.034 23.606 0.50 11.53 H new ATOM 0 HB3BSER A 31 -20.131 -23.718 24.131 0.50 11.53 H new ATOM 0 HG ASER A 31 -21.022 -23.336 22.101 0.50 12.51 H new ATOM 0 HG BSER A 31 -19.575 -25.800 23.462 0.50 12.51 H new ATOM 201 N TRP A 32 -21.865 -27.229 23.302 1.00 8.08 N ATOM 202 CA TRP A 32 -22.369 -28.300 22.429 1.00 9.26 C ATOM 203 C TRP A 32 -23.618 -29.030 22.946 1.00 9.65 C ATOM 204 O TRP A 32 -24.315 -29.674 22.175 1.00 9.39 O ATOM 205 CB TRP A 32 -21.277 -29.332 22.215 1.00 8.10 C ATOM 206 CG TRP A 32 -20.056 -28.810 21.493 1.00 6.20 C ATOM 207 CD1 TRP A 32 -19.875 -27.584 20.910 1.00 8.68 C ATOM 208 CD2 TRP A 32 -18.871 -29.548 21.251 1.00 7.92 C ATOM 209 NE1 TRP A 32 -18.624 -27.500 20.342 1.00 9.94 N ATOM 210 CE2 TRP A 32 -17.994 -28.705 20.530 1.00 8.56 C ATOM 211 CE3 TRP A 32 -18.456 -30.856 21.548 1.00 9.20 C ATOM 212 CZ2 TRP A 32 -16.714 -29.101 20.156 1.00 8.31 C ATOM 213 CZ3 TRP A 32 -17.184 -31.252 21.139 1.00 9.24 C ATOM 214 CH2 TRP A 32 -16.330 -30.359 20.452 1.00 7.93 C ATOM 0 H TRP A 32 -21.225 -27.465 23.826 1.00 8.08 H new ATOM 0 HA TRP A 32 -22.629 -27.855 21.607 1.00 9.26 H new ATOM 0 HB2 TRP A 32 -21.004 -29.681 23.078 1.00 8.10 H new ATOM 0 HB3 TRP A 32 -21.644 -30.075 21.711 1.00 8.10 H new ATOM 0 HD1 TRP A 32 -20.509 -26.903 20.899 1.00 8.68 H new ATOM 0 HE1 TRP A 32 -18.295 -26.814 19.941 1.00 9.94 H new ATOM 0 HE3 TRP A 32 -19.015 -31.442 22.005 1.00 9.20 H new ATOM 0 HZ2 TRP A 32 -16.141 -28.516 19.715 1.00 8.31 H new ATOM 0 HZ3 TRP A 32 -16.893 -32.116 21.321 1.00 9.24 H new ATOM 0 HH2 TRP A 32 -15.483 -30.646 20.198 1.00 7.93 H new ATOM 215 N GLN A 33 -23.894 -28.957 24.251 1.00 11.15 N ATOM 216 CA GLN A 33 -24.777 -29.913 24.911 1.00 11.82 C ATOM 217 C GLN A 33 -26.205 -29.975 24.360 1.00 10.52 C ATOM 218 O GLN A 33 -26.748 -31.065 24.347 1.00 12.16 O ATOM 219 CB GLN A 33 -24.737 -29.655 26.427 1.00 15.22 C ATOM 220 CG GLN A 33 -25.376 -28.343 26.789 1.00 22.48 C ATOM 221 CD GLN A 33 -25.334 -27.905 28.307 1.00 31.36 C ATOM 222 OE1 GLN A 33 -25.178 -28.724 29.232 1.00 38.25 O ATOM 223 NE2 GLN A 33 -25.506 -26.604 28.529 1.00 32.42 N ATOM 0 H GLN A 33 -23.574 -28.353 24.774 1.00 11.15 H new ATOM 0 HA GLN A 33 -24.436 -30.800 24.714 1.00 11.82 H new ATOM 0 HB2 GLN A 33 -25.193 -30.375 26.890 1.00 15.22 H new ATOM 0 HB3 GLN A 33 -23.816 -29.661 26.732 1.00 15.22 H new ATOM 0 HG2 GLN A 33 -24.949 -27.647 26.265 1.00 22.48 H new ATOM 0 HG3 GLN A 33 -26.305 -28.376 26.513 1.00 22.48 H new ATOM 0 HE21 GLN A 33 -25.611 -26.065 27.867 1.00 32.42 H new ATOM 0 HE22 GLN A 33 -25.512 -26.302 29.334 1.00 32.42 H new ATOM 224 N SER A 34 -26.763 -28.851 23.914 1.00 10.69 N ATOM 225 CA SER A 34 -28.137 -28.805 23.437 1.00 10.95 C ATOM 226 C SER A 34 -28.233 -28.749 21.919 1.00 12.58 C ATOM 227 O SER A 34 -29.300 -28.504 21.418 1.00 13.34 O ATOM 228 CB SER A 34 -28.844 -27.553 24.026 1.00 11.18 C ATOM 229 OG SER A 34 -28.976 -27.674 25.456 1.00 17.05 O ATOM 0 H SER A 34 -26.353 -28.096 23.881 1.00 10.69 H new ATOM 0 HA SER A 34 -28.567 -29.624 23.730 1.00 10.95 H new ATOM 0 HB2 SER A 34 -28.336 -26.756 23.809 1.00 11.18 H new ATOM 0 HB3 SER A 34 -29.720 -27.450 23.622 1.00 11.18 H new ATOM 0 HG SER A 34 -29.358 -26.991 25.761 1.00 17.05 H new ATOM 230 N LEU A 35 -27.121 -28.946 21.213 1.00 9.75 N ATOM 231 CA LEU A 35 -27.128 -28.953 19.715 1.00 10.56 C ATOM 232 C LEU A 35 -27.738 -30.277 19.251 1.00 11.76 C ATOM 233 O LEU A 35 -27.828 -31.248 20.021 1.00 12.91 O ATOM 234 CB LEU A 35 -25.662 -28.789 19.234 1.00 11.41 C ATOM 235 CG LEU A 35 -25.007 -27.461 19.534 1.00 11.57 C ATOM 236 CD1 LEU A 35 -23.603 -27.499 18.916 1.00 13.35 C ATOM 237 CD2 LEU A 35 -25.887 -26.284 19.008 1.00 16.85 C ATOM 0 H LEU A 35 -26.347 -29.078 21.564 1.00 9.75 H new ATOM 0 HA LEU A 35 -27.656 -28.229 19.344 1.00 10.56 H new ATOM 0 HB2 LEU A 35 -25.128 -29.491 19.638 1.00 11.41 H new ATOM 0 HB3 LEU A 35 -25.638 -28.931 18.275 1.00 11.41 H new ATOM 0 HG LEU A 35 -24.923 -27.309 20.488 1.00 11.57 H new ATOM 0 HD11 LEU A 35 -23.150 -26.659 19.089 1.00 13.35 H new ATOM 0 HD12 LEU A 35 -23.096 -28.226 19.309 1.00 13.35 H new ATOM 0 HD13 LEU A 35 -23.674 -27.636 17.958 1.00 13.35 H new ATOM 0 HD21 LEU A 35 -25.453 -25.440 19.209 1.00 16.85 H new ATOM 0 HD22 LEU A 35 -26.001 -26.369 18.048 1.00 16.85 H new ATOM 0 HD23 LEU A 35 -26.755 -26.311 19.440 1.00 16.85 H new ATOM 238 N PRO A 36 -28.112 -30.376 17.963 1.00 12.45 N ATOM 239 CA PRO A 36 -28.655 -31.633 17.461 1.00 12.29 C ATOM 240 C PRO A 36 -27.491 -32.580 17.139 1.00 13.29 C ATOM 241 O PRO A 36 -27.157 -32.754 15.977 1.00 13.76 O ATOM 242 CB PRO A 36 -29.440 -31.193 16.209 1.00 12.93 C ATOM 243 CG PRO A 36 -28.703 -29.965 15.764 1.00 13.92 C ATOM 244 CD PRO A 36 -28.218 -29.263 16.985 1.00 13.32 C ATOM 0 HA PRO A 36 -29.223 -32.118 18.080 1.00 12.29 H new ATOM 0 HB2 PRO A 36 -29.439 -31.880 15.525 1.00 12.93 H new ATOM 0 HB3 PRO A 36 -30.368 -31.000 16.416 1.00 12.93 H new ATOM 0 HG2 PRO A 36 -27.958 -30.204 15.190 1.00 13.92 H new ATOM 0 HG3 PRO A 36 -29.285 -29.387 15.247 1.00 13.92 H new ATOM 0 HD2 PRO A 36 -27.364 -28.827 16.838 1.00 13.32 H new ATOM 0 HD3 PRO A 36 -28.839 -28.579 17.280 1.00 13.32 H new ATOM 245 N LEU A 37 -26.893 -33.084 18.205 1.00 14.09 N ATOM 246 CA LEU A 37 -25.669 -33.900 18.153 1.00 15.56 C ATOM 247 C LEU A 37 -25.965 -35.304 17.780 1.00 17.18 C ATOM 248 O LEU A 37 -26.976 -35.901 18.175 1.00 19.59 O ATOM 249 CB LEU A 37 -25.013 -34.049 19.524 1.00 16.27 C ATOM 250 CG LEU A 37 -24.650 -32.766 20.246 1.00 17.46 C ATOM 251 CD1 LEU A 37 -24.147 -33.061 21.652 1.00 20.08 C ATOM 252 CD2 LEU A 37 -23.618 -31.939 19.457 1.00 18.64 C ATOM 0 H LEU A 37 -27.188 -32.964 19.004 1.00 14.09 H new ATOM 0 HA LEU A 37 -25.104 -33.440 17.513 1.00 15.56 H new ATOM 0 HB2 LEU A 37 -25.612 -34.558 20.093 1.00 16.27 H new ATOM 0 HB3 LEU A 37 -24.206 -34.576 19.418 1.00 16.27 H new ATOM 0 HG LEU A 37 -25.457 -32.233 20.315 1.00 17.46 H new ATOM 0 HD11 LEU A 37 -23.921 -32.229 22.096 1.00 20.08 H new ATOM 0 HD12 LEU A 37 -24.840 -33.517 22.155 1.00 20.08 H new ATOM 0 HD13 LEU A 37 -23.360 -33.625 21.602 1.00 20.08 H new ATOM 0 HD21 LEU A 37 -23.410 -31.128 19.947 1.00 18.64 H new ATOM 0 HD22 LEU A 37 -22.809 -32.460 19.337 1.00 18.64 H new ATOM 0 HD23 LEU A 37 -23.984 -31.707 18.589 1.00 18.64 H new ATOM 253 N LYS A 38 -25.016 -35.871 17.047 1.00 16.90 N ATOM 254 CA LYS A 38 -24.922 -37.318 16.924 1.00 19.08 C ATOM 255 C LYS A 38 -23.471 -37.709 17.142 1.00 18.48 C ATOM 256 O LYS A 38 -22.583 -36.895 16.946 1.00 15.82 O ATOM 257 CB LYS A 38 -25.411 -37.763 15.529 1.00 18.57 C ATOM 258 CG LYS A 38 -26.935 -37.917 15.496 1.00 24.93 C ATOM 259 CD LYS A 38 -27.483 -37.798 14.117 1.00 33.93 C ATOM 260 CE LYS A 38 -28.993 -38.075 14.141 1.00 33.76 C ATOM 261 NZ LYS A 38 -29.626 -37.627 15.421 1.00 34.62 N ATOM 0 H LYS A 38 -24.416 -35.435 16.612 1.00 16.90 H new ATOM 0 HA LYS A 38 -25.483 -37.756 17.583 1.00 19.08 H new ATOM 0 HB2 LYS A 38 -25.135 -37.112 14.865 1.00 18.57 H new ATOM 0 HB3 LYS A 38 -24.993 -38.606 15.291 1.00 18.57 H new ATOM 0 HG2 LYS A 38 -27.179 -38.780 15.866 1.00 24.93 H new ATOM 0 HG3 LYS A 38 -27.339 -37.241 16.062 1.00 24.93 H new ATOM 0 HD2 LYS A 38 -27.313 -36.910 13.766 1.00 33.93 H new ATOM 0 HD3 LYS A 38 -27.038 -38.426 13.526 1.00 33.93 H new ATOM 0 HE2 LYS A 38 -29.416 -37.621 13.396 1.00 33.76 H new ATOM 0 HE3 LYS A 38 -29.149 -39.025 14.019 1.00 33.76 H new ATOM 0 HZ1 LYS A 38 -30.511 -37.626 15.330 1.00 34.62 H new ATOM 0 HZ2 LYS A 38 -29.396 -38.183 16.077 1.00 34.62 H new ATOM 0 HZ3 LYS A 38 -29.348 -36.805 15.618 1.00 34.62 H new ATOM 262 N PRO A 39 -23.223 -38.994 17.492 1.00 19.82 N ATOM 263 CA PRO A 39 -21.790 -39.338 17.620 1.00 20.14 C ATOM 264 C PRO A 39 -21.121 -39.325 16.249 1.00 19.26 C ATOM 265 O PRO A 39 -21.772 -39.525 15.220 1.00 20.13 O ATOM 266 CB PRO A 39 -21.808 -40.726 18.267 1.00 22.22 C ATOM 267 CG PRO A 39 -23.232 -40.843 18.888 1.00 24.42 C ATOM 268 CD PRO A 39 -24.110 -40.099 17.904 1.00 22.11 C ATOM 0 HA PRO A 39 -21.278 -38.709 18.152 1.00 20.14 H new ATOM 0 HB2 PRO A 39 -21.649 -41.424 17.612 1.00 22.22 H new ATOM 0 HB3 PRO A 39 -21.119 -40.810 18.944 1.00 22.22 H new ATOM 0 HG2 PRO A 39 -23.506 -41.769 18.982 1.00 24.42 H new ATOM 0 HG3 PRO A 39 -23.270 -40.445 19.772 1.00 24.42 H new ATOM 0 HD2 PRO A 39 -24.371 -40.656 17.154 1.00 22.11 H new ATOM 0 HD3 PRO A 39 -24.927 -39.777 18.316 1.00 22.11 H new ATOM 269 N TYR A 40 -19.821 -39.037 16.248 1.00 17.43 N ATOM 270 CA TYR A 40 -19.021 -39.195 15.062 1.00 16.86 C ATOM 271 C TYR A 40 -17.993 -40.259 15.401 1.00 17.43 C ATOM 272 O TYR A 40 -17.196 -40.083 16.336 1.00 16.89 O ATOM 273 CB TYR A 40 -18.338 -37.868 14.765 1.00 16.52 C ATOM 274 CG TYR A 40 -17.401 -37.877 13.568 1.00 18.27 C ATOM 275 CD1 TYR A 40 -17.751 -37.230 12.384 1.00 17.45 C ATOM 276 CD2 TYR A 40 -16.145 -38.495 13.628 1.00 18.16 C ATOM 277 CE1 TYR A 40 -16.888 -37.192 11.268 1.00 19.99 C ATOM 278 CE2 TYR A 40 -15.278 -38.495 12.521 1.00 18.58 C ATOM 279 CZ TYR A 40 -15.663 -37.856 11.335 1.00 20.96 C ATOM 280 OH TYR A 40 -14.783 -37.813 10.240 1.00 20.92 O ATOM 0 H TYR A 40 -19.390 -38.748 16.934 1.00 17.43 H new ATOM 0 HA TYR A 40 -19.541 -39.451 14.284 1.00 16.86 H new ATOM 0 HB2 TYR A 40 -19.021 -37.195 14.618 1.00 16.52 H new ATOM 0 HB3 TYR A 40 -17.836 -37.596 15.549 1.00 16.52 H new ATOM 0 HD1 TYR A 40 -18.579 -36.810 12.328 1.00 17.45 H new ATOM 0 HD2 TYR A 40 -15.880 -38.913 14.415 1.00 18.16 H new ATOM 0 HE1 TYR A 40 -17.133 -36.731 10.498 1.00 19.99 H new ATOM 0 HE2 TYR A 40 -14.452 -38.918 12.576 1.00 18.58 H new ATOM 0 HH TYR A 40 -14.090 -38.252 10.420 1.00 20.92 H new ATOM 281 N GLN A 41 -18.026 -41.361 14.657 1.00 17.87 N ATOM 282 CA GLN A 41 -17.076 -42.433 14.910 1.00 18.26 C ATOM 283 C GLN A 41 -15.710 -42.085 14.305 1.00 18.48 C ATOM 284 O GLN A 41 -15.566 -41.933 13.077 1.00 17.31 O ATOM 285 CB GLN A 41 -17.671 -43.724 14.324 1.00 20.03 C ATOM 286 CG GLN A 41 -16.813 -44.947 14.607 1.00 24.48 C ATOM 287 CD GLN A 41 -17.600 -46.260 14.394 1.00 29.54 C ATOM 288 OE1 GLN A 41 -18.841 -46.327 14.597 1.00 34.80 O ATOM 289 NE2 GLN A 41 -16.879 -47.299 13.992 1.00 31.67 N ATOM 0 H GLN A 41 -18.579 -41.504 14.014 1.00 17.87 H new ATOM 0 HA GLN A 41 -16.926 -42.557 15.860 1.00 18.26 H new ATOM 0 HB2 GLN A 41 -18.557 -43.863 14.692 1.00 20.03 H new ATOM 0 HB3 GLN A 41 -17.775 -43.621 13.365 1.00 20.03 H new ATOM 0 HG2 GLN A 41 -16.035 -44.938 14.027 1.00 24.48 H new ATOM 0 HG3 GLN A 41 -16.487 -44.909 15.520 1.00 24.48 H new ATOM 0 HE21 GLN A 41 -16.033 -47.212 13.865 1.00 31.67 H new ATOM 0 HE22 GLN A 41 -17.258 -48.060 13.859 1.00 31.67 H new ATOM 290 N LEU A 42 -14.723 -41.904 15.196 1.00 16.47 N ATOM 291 CA LEU A 42 -13.312 -41.720 14.787 1.00 16.09 C ATOM 292 C LEU A 42 -12.789 -43.028 14.180 1.00 16.42 C ATOM 293 O LEU A 42 -13.435 -44.057 14.286 1.00 15.56 O ATOM 294 CB LEU A 42 -12.480 -41.296 16.010 1.00 15.53 C ATOM 295 CG LEU A 42 -12.801 -39.873 16.534 1.00 16.66 C ATOM 296 CD1 LEU A 42 -12.055 -39.670 17.864 1.00 16.29 C ATOM 297 CD2 LEU A 42 -12.368 -38.838 15.512 1.00 17.33 C ATOM 0 H LEU A 42 -14.847 -41.884 16.047 1.00 16.47 H new ATOM 0 HA LEU A 42 -13.241 -41.023 14.116 1.00 16.09 H new ATOM 0 HB2 LEU A 42 -12.627 -41.934 16.726 1.00 15.53 H new ATOM 0 HB3 LEU A 42 -11.539 -41.340 15.779 1.00 15.53 H new ATOM 0 HG LEU A 42 -13.755 -39.771 16.677 1.00 16.66 H new ATOM 0 HD11 LEU A 42 -12.243 -38.783 18.209 1.00 16.29 H new ATOM 0 HD12 LEU A 42 -12.350 -40.335 18.505 1.00 16.29 H new ATOM 0 HD13 LEU A 42 -11.101 -39.763 17.717 1.00 16.29 H new ATOM 0 HD21 LEU A 42 -12.571 -37.950 15.845 1.00 17.33 H new ATOM 0 HD22 LEU A 42 -11.413 -38.915 15.358 1.00 17.33 H new ATOM 0 HD23 LEU A 42 -12.842 -38.987 14.679 1.00 17.33 H new ATOM 298 N PRO A 43 -11.625 -42.986 13.504 1.00 16.83 N ATOM 299 CA PRO A 43 -11.072 -44.264 12.952 1.00 16.76 C ATOM 300 C PRO A 43 -11.018 -45.314 14.087 1.00 16.51 C ATOM 301 O PRO A 43 -10.720 -44.935 15.262 1.00 15.52 O ATOM 302 CB PRO A 43 -9.662 -43.849 12.508 1.00 15.02 C ATOM 303 CG PRO A 43 -9.859 -42.357 12.055 1.00 19.05 C ATOM 304 CD PRO A 43 -10.813 -41.800 13.138 1.00 16.66 C ATOM 0 HA PRO A 43 -11.589 -44.658 12.232 1.00 16.76 H new ATOM 0 HB2 PRO A 43 -9.021 -43.923 13.232 1.00 15.02 H new ATOM 0 HB3 PRO A 43 -9.336 -44.404 11.783 1.00 15.02 H new ATOM 0 HG2 PRO A 43 -9.019 -41.873 12.031 1.00 19.05 H new ATOM 0 HG3 PRO A 43 -10.246 -42.297 11.168 1.00 19.05 H new ATOM 0 HD2 PRO A 43 -10.326 -41.448 13.900 1.00 16.66 H new ATOM 0 HD3 PRO A 43 -11.364 -41.079 12.796 1.00 16.66 H new ATOM 305 N GLU A 44 -11.349 -46.574 13.756 1.00 15.29 N ATOM 306 CA GLU A 44 -11.365 -47.671 14.762 1.00 16.30 C ATOM 307 C GLU A 44 -12.236 -47.360 15.991 1.00 16.09 C ATOM 308 O GLU A 44 -12.044 -47.894 17.091 1.00 15.53 O ATOM 309 CB GLU A 44 -9.920 -47.998 15.193 1.00 16.02 C ATOM 310 CG GLU A 44 -9.078 -48.427 13.978 1.00 14.88 C ATOM 311 CD GLU A 44 -7.640 -48.832 14.277 1.00 14.73 C ATOM 312 OE1 GLU A 44 -7.031 -49.354 13.327 1.00 16.55 O ATOM 313 OE2 GLU A 44 -7.129 -48.578 15.389 1.00 16.34 O ATOM 0 H GLU A 44 -11.567 -46.819 12.961 1.00 15.29 H new ATOM 0 HA GLU A 44 -11.769 -48.442 14.335 1.00 16.30 H new ATOM 0 HB2 GLU A 44 -9.519 -47.221 15.613 1.00 16.02 H new ATOM 0 HB3 GLU A 44 -9.927 -48.707 15.855 1.00 16.02 H new ATOM 0 HG2 GLU A 44 -9.523 -49.172 13.545 1.00 14.88 H new ATOM 0 HG3 GLU A 44 -9.064 -47.696 13.341 1.00 14.88 H new ATOM 314 N ASP A 45 -13.199 -46.457 15.812 1.00 15.88 N ATOM 315 CA ASP A 45 -14.098 -46.035 16.898 1.00 16.12 C ATOM 316 C ASP A 45 -13.317 -45.662 18.160 1.00 15.47 C ATOM 317 O ASP A 45 -13.678 -46.001 19.273 1.00 16.70 O ATOM 318 CB ASP A 45 -15.204 -47.069 17.195 1.00 17.01 C ATOM 319 CG ASP A 45 -16.386 -46.465 17.953 1.00 20.63 C ATOM 320 OD1 ASP A 45 -16.574 -45.231 17.961 1.00 21.43 O ATOM 321 OD2 ASP A 45 -17.185 -47.241 18.497 1.00 25.94 O ATOM 0 H ASP A 45 -13.353 -46.070 15.060 1.00 15.88 H new ATOM 0 HA ASP A 45 -14.551 -45.236 16.585 1.00 16.12 H new ATOM 0 HB2 ASP A 45 -15.520 -47.449 16.360 1.00 17.01 H new ATOM 0 HB3 ASP A 45 -14.830 -47.798 17.714 1.00 17.01 H new ATOM 322 N LEU A 46 -12.262 -44.882 17.962 1.00 15.94 N ATOM 323 CA LEU A 46 -11.406 -44.490 19.052 1.00 14.41 C ATOM 324 C LEU A 46 -12.138 -43.693 20.129 1.00 14.24 C ATOM 325 O LEU A 46 -12.889 -42.725 19.799 1.00 14.73 O ATOM 326 CB LEU A 46 -10.267 -43.622 18.503 1.00 14.36 C ATOM 327 CG LEU A 46 -9.129 -43.335 19.473 1.00 14.55 C ATOM 328 CD1 LEU A 46 -8.436 -44.666 19.816 1.00 20.05 C ATOM 329 CD2 LEU A 46 -8.201 -42.341 18.812 1.00 14.07 C ATOM 0 H LEU A 46 -12.029 -44.571 17.195 1.00 15.94 H new ATOM 0 HA LEU A 46 -11.075 -45.305 19.461 1.00 14.41 H new ATOM 0 HB2 LEU A 46 -9.899 -44.058 17.719 1.00 14.36 H new ATOM 0 HB3 LEU A 46 -10.640 -42.776 18.208 1.00 14.36 H new ATOM 0 HG LEU A 46 -9.439 -42.948 20.307 1.00 14.55 H new ATOM 0 HD11 LEU A 46 -7.707 -44.502 20.434 1.00 20.05 H new ATOM 0 HD12 LEU A 46 -9.077 -45.269 20.225 1.00 20.05 H new ATOM 0 HD13 LEU A 46 -8.087 -45.068 19.005 1.00 20.05 H new ATOM 0 HD21 LEU A 46 -7.464 -42.139 19.410 1.00 14.07 H new ATOM 0 HD22 LEU A 46 -7.855 -42.719 17.989 1.00 14.07 H new ATOM 0 HD23 LEU A 46 -8.688 -41.526 18.613 1.00 14.07 H new ATOM 330 N GLY A 47 -11.836 -44.029 21.399 1.00 12.70 N ATOM 331 CA GLY A 47 -12.289 -43.373 22.625 1.00 12.34 C ATOM 332 C GLY A 47 -11.044 -42.992 23.437 1.00 12.16 C ATOM 333 O GLY A 47 -10.324 -42.067 23.070 1.00 13.25 O ATOM 0 H GLY A 47 -11.322 -44.697 21.569 1.00 12.70 H new ATOM 0 HA2 GLY A 47 -12.813 -42.584 22.415 1.00 12.34 H new ATOM 0 HA3 GLY A 47 -12.861 -43.966 23.137 1.00 12.34 H new ATOM 334 N TYR A 48 -10.767 -43.780 24.470 1.00 12.15 N ATOM 335 CA TYR A 48 -9.616 -43.668 25.290 1.00 10.81 C ATOM 336 C TYR A 48 -8.446 -44.398 24.653 1.00 11.64 C ATOM 337 O TYR A 48 -8.614 -45.489 24.091 1.00 13.93 O ATOM 338 CB TYR A 48 -9.918 -44.339 26.620 1.00 11.58 C ATOM 339 CG TYR A 48 -8.816 -44.264 27.639 1.00 15.39 C ATOM 340 CD1 TYR A 48 -7.810 -45.244 27.679 1.00 14.33 C ATOM 341 CD2 TYR A 48 -8.731 -43.173 28.534 1.00 19.67 C ATOM 342 CE1 TYR A 48 -6.762 -45.203 28.643 1.00 15.88 C ATOM 343 CE2 TYR A 48 -7.693 -43.096 29.475 1.00 20.59 C ATOM 344 CZ TYR A 48 -6.696 -44.108 29.521 1.00 19.10 C ATOM 345 OH TYR A 48 -5.662 -44.077 30.449 1.00 21.92 O ATOM 0 H TYR A 48 -11.286 -44.423 24.708 1.00 12.15 H new ATOM 0 HA TYR A 48 -9.391 -42.731 25.405 1.00 10.81 H new ATOM 0 HB2 TYR A 48 -10.715 -43.934 26.996 1.00 11.58 H new ATOM 0 HB3 TYR A 48 -10.124 -45.272 26.456 1.00 11.58 H new ATOM 0 HD1 TYR A 48 -7.829 -45.938 27.060 1.00 14.33 H new ATOM 0 HD2 TYR A 48 -9.370 -42.499 28.499 1.00 19.67 H new ATOM 0 HE1 TYR A 48 -6.134 -45.887 28.690 1.00 15.88 H new ATOM 0 HE2 TYR A 48 -7.657 -42.382 30.069 1.00 20.59 H new ATOM 0 HH TYR A 48 -5.145 -44.726 30.315 1.00 21.92 H new ATOM 346 N VAL A 49 -7.271 -43.784 24.719 1.00 12.03 N ATOM 347 CA VAL A 49 -6.075 -44.478 24.251 1.00 11.50 C ATOM 348 C VAL A 49 -4.878 -44.100 25.114 1.00 12.62 C ATOM 349 O VAL A 49 -4.802 -42.969 25.592 1.00 13.30 O ATOM 350 CB VAL A 49 -5.840 -44.227 22.768 1.00 12.03 C ATOM 351 CG1 VAL A 49 -5.591 -42.739 22.489 1.00 14.72 C ATOM 352 CG2 VAL A 49 -4.646 -45.115 22.203 1.00 12.41 C ATOM 0 H VAL A 49 -7.144 -42.989 25.022 1.00 12.03 H new ATOM 0 HA VAL A 49 -6.205 -45.435 24.345 1.00 11.50 H new ATOM 0 HB VAL A 49 -6.649 -44.491 22.302 1.00 12.03 H new ATOM 0 HG11 VAL A 49 -5.445 -42.608 21.539 1.00 14.72 H new ATOM 0 HG12 VAL A 49 -6.362 -42.223 22.771 1.00 14.72 H new ATOM 0 HG13 VAL A 49 -4.808 -42.444 22.980 1.00 14.72 H new ATOM 0 HG21 VAL A 49 -4.524 -44.930 21.259 1.00 12.41 H new ATOM 0 HG22 VAL A 49 -3.830 -44.902 22.682 1.00 12.41 H new ATOM 0 HG23 VAL A 49 -4.856 -46.054 22.324 1.00 12.41 H new ATOM 353 N GLU A 50 -3.957 -45.046 25.331 1.00 12.39 N ATOM 354 CA GLU A 50 -2.792 -44.769 26.114 1.00 11.27 C ATOM 355 C GLU A 50 -1.655 -45.526 25.503 1.00 10.47 C ATOM 356 O GLU A 50 -1.809 -46.615 24.927 1.00 10.99 O ATOM 357 CB GLU A 50 -3.076 -45.314 27.512 1.00 12.94 C ATOM 358 CG GLU A 50 -2.074 -45.551 28.533 1.00 18.20 C ATOM 359 CD GLU A 50 -2.680 -46.434 29.671 1.00 23.13 C ATOM 360 OE1 GLU A 50 -2.062 -47.485 29.950 1.00 23.32 O ATOM 361 OE2 GLU A 50 -3.764 -46.078 30.297 1.00 25.98 O ATOM 0 H GLU A 50 -4.004 -45.849 25.026 1.00 12.39 H new ATOM 0 HA GLU A 50 -2.577 -43.824 26.150 1.00 11.27 H new ATOM 0 HB2 GLU A 50 -3.721 -44.708 27.908 1.00 12.94 H new ATOM 0 HB3 GLU A 50 -3.528 -46.162 27.380 1.00 12.94 H new ATOM 0 HG2 GLU A 50 -1.302 -45.993 28.145 1.00 18.20 H new ATOM 0 HG3 GLU A 50 -1.764 -44.707 28.897 1.00 18.20 H new ATOM 362 N GLY A 51 -0.479 -44.941 25.643 1.00 10.38 N ATOM 363 CA GLY A 51 0.736 -45.597 25.167 1.00 9.78 C ATOM 364 C GLY A 51 1.993 -45.117 25.829 1.00 10.57 C ATOM 365 O GLY A 51 2.085 -43.984 26.303 1.00 11.46 O ATOM 0 H GLY A 51 -0.357 -44.171 26.007 1.00 10.38 H new ATOM 0 HA2 GLY A 51 0.652 -46.553 25.309 1.00 9.78 H new ATOM 0 HA3 GLY A 51 0.813 -45.458 24.210 1.00 9.78 H new ATOM 366 N ARG A 52 3.003 -45.982 25.823 1.00 9.97 N ATOM 367 CA ARG A 52 4.324 -45.660 26.335 1.00 11.71 C ATOM 368 C ARG A 52 5.332 -46.417 25.504 1.00 11.73 C ATOM 369 O ARG A 52 5.106 -47.539 25.104 1.00 11.23 O ATOM 370 CB ARG A 52 4.446 -46.068 27.824 1.00 12.66 C ATOM 371 CG ARG A 52 5.673 -45.524 28.467 1.00 12.39 C ATOM 372 CD ARG A 52 6.074 -46.336 29.737 1.00 15.05 C ATOM 373 NE ARG A 52 5.101 -46.264 30.833 1.00 18.79 N ATOM 374 CZ ARG A 52 5.066 -45.299 31.751 1.00 17.50 C ATOM 375 NH1 ARG A 52 4.194 -45.350 32.732 1.00 19.97 N ATOM 376 NH2 ARG A 52 5.918 -44.278 31.702 1.00 17.32 N ATOM 0 H ARG A 52 2.936 -46.783 25.516 1.00 9.97 H new ATOM 0 HA ARG A 52 4.482 -44.705 26.278 1.00 11.71 H new ATOM 0 HB2 ARG A 52 3.665 -45.754 28.307 1.00 12.66 H new ATOM 0 HB3 ARG A 52 4.451 -47.036 27.891 1.00 12.66 H new ATOM 0 HG2 ARG A 52 6.405 -45.538 27.830 1.00 12.39 H new ATOM 0 HG3 ARG A 52 5.526 -44.596 28.710 1.00 12.39 H new ATOM 0 HD2 ARG A 52 6.197 -47.265 29.488 1.00 15.05 H new ATOM 0 HD3 ARG A 52 6.931 -46.013 30.057 1.00 15.05 H new ATOM 0 HE ARG A 52 4.512 -46.888 30.887 1.00 18.79 H new ATOM 0 HH11 ARG A 52 3.643 -46.008 32.784 1.00 19.97 H new ATOM 0 HH12 ARG A 52 4.174 -44.725 33.323 1.00 19.97 H new ATOM 0 HH21 ARG A 52 6.501 -44.235 31.072 1.00 17.32 H new ATOM 0 HH22 ARG A 52 5.885 -43.661 32.301 1.00 17.32 H new ATOM 377 N LEU A 53 6.473 -45.799 25.270 1.00 10.74 N ATOM 378 CA LEU A 53 7.641 -46.461 24.710 1.00 13.03 C ATOM 379 C LEU A 53 8.720 -46.383 25.776 1.00 13.94 C ATOM 380 O LEU A 53 8.597 -47.039 26.788 1.00 14.87 O ATOM 381 CB LEU A 53 8.056 -45.809 23.384 1.00 9.57 C ATOM 382 CG LEU A 53 7.134 -46.112 22.202 1.00 13.12 C ATOM 383 CD1 LEU A 53 7.531 -45.177 21.034 1.00 12.87 C ATOM 384 CD2 LEU A 53 7.284 -47.545 21.768 1.00 12.58 C ATOM 0 H LEU A 53 6.597 -44.964 25.435 1.00 10.74 H new ATOM 0 HA LEU A 53 7.464 -47.388 24.488 1.00 13.03 H new ATOM 0 HB2 LEU A 53 8.095 -44.848 23.509 1.00 9.57 H new ATOM 0 HB3 LEU A 53 8.953 -46.102 23.161 1.00 9.57 H new ATOM 0 HG LEU A 53 6.211 -45.967 22.462 1.00 13.12 H new ATOM 0 HD11 LEU A 53 6.958 -45.351 20.271 1.00 12.87 H new ATOM 0 HD12 LEU A 53 7.429 -44.253 21.310 1.00 12.87 H new ATOM 0 HD13 LEU A 53 8.455 -45.340 20.788 1.00 12.87 H new ATOM 0 HD21 LEU A 53 6.693 -47.720 21.019 1.00 12.58 H new ATOM 0 HD22 LEU A 53 8.202 -47.708 21.500 1.00 12.58 H new ATOM 0 HD23 LEU A 53 7.054 -48.132 22.505 1.00 12.58 H new ATOM 385 N GLU A 54 9.757 -45.567 25.573 1.00 15.28 N ATOM 386 CA GLU A 54 10.916 -45.580 26.481 1.00 15.57 C ATOM 387 C GLU A 54 10.877 -44.518 27.578 1.00 16.37 C ATOM 388 O GLU A 54 11.742 -44.511 28.475 1.00 18.08 O ATOM 389 CB GLU A 54 12.214 -45.401 25.666 1.00 17.07 C ATOM 390 CG GLU A 54 12.527 -46.573 24.677 1.00 18.90 C ATOM 391 CD GLU A 54 12.666 -47.953 25.357 1.00 21.17 C ATOM 392 OE1 GLU A 54 12.470 -48.965 24.667 1.00 19.71 O ATOM 393 OE2 GLU A 54 12.962 -48.046 26.569 1.00 25.21 O ATOM 0 H GLU A 54 9.812 -45.004 24.925 1.00 15.28 H new ATOM 0 HA GLU A 54 10.886 -46.440 26.928 1.00 15.57 H new ATOM 0 HB2 GLU A 54 12.154 -44.575 25.162 1.00 17.07 H new ATOM 0 HB3 GLU A 54 12.958 -45.305 26.281 1.00 17.07 H new ATOM 0 HG2 GLU A 54 11.821 -46.620 24.013 1.00 18.90 H new ATOM 0 HG3 GLU A 54 13.349 -46.372 24.203 1.00 18.90 H new ATOM 394 N GLY A 55 9.839 -43.694 27.580 1.00 13.22 N ATOM 395 CA GLY A 55 9.735 -42.571 28.533 1.00 14.08 C ATOM 396 C GLY A 55 8.400 -42.535 29.242 1.00 14.13 C ATOM 397 O GLY A 55 7.994 -43.532 29.823 1.00 14.75 O ATOM 0 H GLY A 55 9.175 -43.760 27.038 1.00 13.22 H new ATOM 0 HA2 GLY A 55 10.445 -42.642 29.190 1.00 14.08 H new ATOM 0 HA3 GLY A 55 9.869 -41.735 28.059 1.00 14.08 H new ATOM 398 N GLU A 56 7.754 -41.374 29.151 1.00 13.24 N ATOM 399 CA GLU A 56 6.504 -41.110 29.832 1.00 13.37 C ATOM 400 C GLU A 56 5.337 -41.715 29.052 1.00 12.96 C ATOM 401 O GLU A 56 5.427 -41.889 27.845 1.00 12.76 O ATOM 402 CB GLU A 56 6.294 -39.614 30.029 1.00 13.47 C ATOM 403 CG GLU A 56 7.405 -38.953 30.868 1.00 17.51 C ATOM 404 CD GLU A 56 7.389 -39.290 32.335 1.00 29.01 C ATOM 405 OE1 GLU A 56 8.482 -39.131 32.934 1.00 36.15 O ATOM 406 OE2 GLU A 56 6.357 -39.673 32.935 1.00 29.86 O ATOM 0 H GLU A 56 8.040 -40.712 28.683 1.00 13.24 H new ATOM 0 HA GLU A 56 6.543 -41.525 30.708 1.00 13.37 H new ATOM 0 HB2 GLU A 56 6.251 -39.182 29.162 1.00 13.47 H new ATOM 0 HB3 GLU A 56 5.438 -39.467 30.462 1.00 13.47 H new ATOM 0 HG2 GLU A 56 8.265 -39.212 30.501 1.00 17.51 H new ATOM 0 HG3 GLU A 56 7.334 -37.990 30.771 1.00 17.51 H new ATOM 407 N LYS A 57 4.259 -41.996 29.758 1.00 12.25 N ATOM 408 CA LYS A 57 3.040 -42.458 29.109 1.00 13.03 C ATOM 409 C LYS A 57 2.172 -41.293 28.716 1.00 14.34 C ATOM 410 O LYS A 57 2.075 -40.293 29.447 1.00 16.33 O ATOM 411 CB LYS A 57 2.263 -43.343 30.064 1.00 14.21 C ATOM 412 CG LYS A 57 0.958 -43.929 29.668 1.00 19.32 C ATOM 413 CD LYS A 57 0.281 -44.577 30.942 1.00 27.26 C ATOM 414 CE LYS A 57 0.132 -43.544 32.081 1.00 29.30 C ATOM 415 NZ LYS A 57 1.016 -43.687 33.294 1.00 39.34 N ATOM 0 H LYS A 57 4.208 -41.927 30.614 1.00 12.25 H new ATOM 0 HA LYS A 57 3.286 -42.954 28.313 1.00 13.03 H new ATOM 0 HB2 LYS A 57 2.845 -44.081 30.306 1.00 14.21 H new ATOM 0 HB3 LYS A 57 2.110 -42.826 30.871 1.00 14.21 H new ATOM 0 HG2 LYS A 57 0.382 -43.244 29.294 1.00 19.32 H new ATOM 0 HG3 LYS A 57 1.086 -44.599 28.979 1.00 19.32 H new ATOM 0 HD2 LYS A 57 -0.591 -44.928 30.704 1.00 27.26 H new ATOM 0 HD3 LYS A 57 0.815 -45.326 31.249 1.00 27.26 H new ATOM 0 HE2 LYS A 57 0.286 -42.664 31.704 1.00 29.30 H new ATOM 0 HE3 LYS A 57 -0.790 -43.566 32.382 1.00 29.30 H new ATOM 0 HZ1 LYS A 57 0.834 -43.036 33.873 1.00 39.34 H new ATOM 0 HZ2 LYS A 57 0.867 -44.475 33.679 1.00 39.34 H new ATOM 0 HZ3 LYS A 57 1.870 -43.634 33.047 1.00 39.34 H new ATOM 416 N LEU A 58 1.537 -41.438 27.558 1.00 9.82 N ATOM 417 CA LEU A 58 0.545 -40.506 27.102 1.00 10.63 C ATOM 418 C LEU A 58 -0.844 -41.124 27.167 1.00 10.49 C ATOM 419 O LEU A 58 -1.083 -42.241 26.649 1.00 11.28 O ATOM 420 CB LEU A 58 0.835 -40.112 25.641 1.00 9.83 C ATOM 421 CG LEU A 58 -0.244 -39.354 24.880 1.00 10.14 C ATOM 422 CD1 LEU A 58 -0.474 -37.999 25.531 1.00 10.01 C ATOM 423 CD2 LEU A 58 0.257 -39.189 23.433 1.00 12.01 C ATOM 0 H LEU A 58 1.679 -42.091 27.017 1.00 9.82 H new ATOM 0 HA LEU A 58 0.578 -39.725 27.676 1.00 10.63 H new ATOM 0 HB2 LEU A 58 1.640 -39.571 25.633 1.00 9.83 H new ATOM 0 HB3 LEU A 58 1.033 -40.923 25.148 1.00 9.83 H new ATOM 0 HG LEU A 58 -1.088 -39.832 24.891 1.00 10.14 H new ATOM 0 HD11 LEU A 58 -1.162 -37.518 25.044 1.00 10.01 H new ATOM 0 HD12 LEU A 58 -0.757 -38.125 26.450 1.00 10.01 H new ATOM 0 HD13 LEU A 58 0.350 -37.488 25.515 1.00 10.01 H new ATOM 0 HD21 LEU A 58 -0.406 -38.708 22.914 1.00 12.01 H new ATOM 0 HD22 LEU A 58 1.090 -38.691 23.433 1.00 12.01 H new ATOM 0 HD23 LEU A 58 0.404 -40.063 23.039 1.00 12.01 H new ATOM 424 N VAL A 59 -1.777 -40.397 27.782 1.00 10.45 N ATOM 425 CA VAL A 59 -3.169 -40.848 27.832 1.00 10.41 C ATOM 426 C VAL A 59 -4.073 -39.820 27.171 1.00 12.24 C ATOM 427 O VAL A 59 -3.905 -38.627 27.406 1.00 10.30 O ATOM 428 CB VAL A 59 -3.588 -41.022 29.286 1.00 11.34 C ATOM 429 CG1 VAL A 59 -5.100 -41.343 29.373 1.00 15.77 C ATOM 430 CG2 VAL A 59 -2.695 -42.074 29.967 1.00 11.98 C ATOM 0 H VAL A 59 -1.627 -39.646 28.173 1.00 10.45 H new ATOM 0 HA VAL A 59 -3.248 -41.692 27.361 1.00 10.41 H new ATOM 0 HB VAL A 59 -3.459 -40.193 29.773 1.00 11.34 H new ATOM 0 HG11 VAL A 59 -5.355 -41.452 30.303 1.00 15.77 H new ATOM 0 HG12 VAL A 59 -5.608 -40.616 28.981 1.00 15.77 H new ATOM 0 HG13 VAL A 59 -5.285 -42.163 28.889 1.00 15.77 H new ATOM 0 HG21 VAL A 59 -2.967 -42.180 30.892 1.00 11.98 H new ATOM 0 HG22 VAL A 59 -2.784 -42.922 29.505 1.00 11.98 H new ATOM 0 HG23 VAL A 59 -1.770 -41.784 29.934 1.00 11.98 H new ATOM 431 N ILE A 60 -5.043 -40.267 26.382 1.00 12.64 N ATOM 432 CA ILE A 60 -5.891 -39.333 25.622 1.00 10.67 C ATOM 433 C ILE A 60 -7.305 -39.833 25.744 1.00 11.25 C ATOM 434 O ILE A 60 -7.629 -41.023 25.519 1.00 13.21 O ATOM 435 CB ILE A 60 -5.562 -39.305 24.122 1.00 10.62 C ATOM 436 CG1 ILE A 60 -4.067 -38.967 23.867 1.00 11.45 C ATOM 437 CG2 ILE A 60 -6.445 -38.246 23.421 1.00 12.89 C ATOM 438 CD1 ILE A 60 -3.642 -39.065 22.440 1.00 15.29 C ATOM 0 H ILE A 60 -5.231 -41.098 26.268 1.00 12.64 H new ATOM 0 HA ILE A 60 -5.750 -38.442 25.979 1.00 10.67 H new ATOM 0 HB ILE A 60 -5.739 -40.189 23.763 1.00 10.62 H new ATOM 0 HG12 ILE A 60 -3.893 -38.067 24.183 1.00 11.45 H new ATOM 0 HG13 ILE A 60 -3.517 -39.565 24.398 1.00 11.45 H new ATOM 0 HG21 ILE A 60 -6.238 -38.228 22.474 1.00 12.89 H new ATOM 0 HG22 ILE A 60 -7.380 -38.472 23.543 1.00 12.89 H new ATOM 0 HG23 ILE A 60 -6.271 -37.373 23.807 1.00 12.89 H new ATOM 0 HD11 ILE A 60 -2.701 -38.840 22.366 1.00 15.29 H new ATOM 0 HD12 ILE A 60 -3.783 -39.970 22.121 1.00 15.29 H new ATOM 0 HD13 ILE A 60 -4.165 -38.449 21.903 1.00 15.29 H new ATOM 439 N GLU A 61 -8.227 -38.916 26.016 1.00 10.41 N ATOM 440 CA GLU A 61 -9.693 -39.205 25.917 1.00 10.85 C ATOM 441 C GLU A 61 -10.233 -38.459 24.752 1.00 11.76 C ATOM 442 O GLU A 61 -10.080 -37.202 24.703 1.00 10.85 O ATOM 443 CB GLU A 61 -10.452 -38.686 27.129 1.00 11.37 C ATOM 444 CG GLU A 61 -10.214 -39.546 28.342 1.00 13.63 C ATOM 445 CD GLU A 61 -10.879 -38.997 29.556 1.00 14.94 C ATOM 446 OE1 GLU A 61 -10.593 -39.495 30.640 1.00 19.26 O ATOM 447 OE2 GLU A 61 -11.676 -38.031 29.496 1.00 17.16 O ATOM 0 H GLU A 61 -8.043 -38.113 26.262 1.00 10.41 H new ATOM 0 HA GLU A 61 -9.801 -40.166 25.844 1.00 10.85 H new ATOM 0 HB2 GLU A 61 -10.177 -37.775 27.318 1.00 11.37 H new ATOM 0 HB3 GLU A 61 -11.401 -38.660 26.931 1.00 11.37 H new ATOM 0 HG2 GLU A 61 -10.543 -40.442 28.171 1.00 13.63 H new ATOM 0 HG3 GLU A 61 -9.260 -39.620 28.503 1.00 13.63 H new ATOM 448 N ASN A 62 -10.808 -39.162 23.816 1.00 12.22 N ATOM 449 CA ASN A 62 -11.423 -38.545 22.648 1.00 11.58 C ATOM 450 C ASN A 62 -12.917 -38.505 22.791 1.00 12.76 C ATOM 451 O ASN A 62 -13.534 -39.559 23.126 1.00 14.43 O ATOM 452 CB ASN A 62 -11.116 -39.312 21.361 1.00 11.75 C ATOM 453 CG ASN A 62 -9.718 -39.168 20.933 1.00 15.25 C ATOM 454 OD1 ASN A 62 -9.388 -38.204 20.211 1.00 17.14 O ATOM 455 ND2 ASN A 62 -8.847 -40.085 21.368 1.00 14.93 N ATOM 0 H ASN A 62 -10.860 -40.020 23.829 1.00 12.22 H new ATOM 0 HA ASN A 62 -11.052 -37.650 22.593 1.00 11.58 H new ATOM 0 HB2 ASN A 62 -11.314 -40.252 21.495 1.00 11.75 H new ATOM 0 HB3 ASN A 62 -11.701 -38.997 20.654 1.00 11.75 H new ATOM 0 HD21 ASN A 62 -8.017 -40.026 21.152 1.00 14.93 H new ATOM 0 HD22 ASN A 62 -9.117 -40.734 21.864 1.00 14.93 H new ATOM 456 N ARG A 63 -13.519 -37.339 22.489 1.00 11.71 N ATOM 457 CA ARG A 63 -14.976 -37.231 22.334 1.00 10.98 C ATOM 458 C ARG A 63 -15.201 -36.603 20.946 1.00 11.74 C ATOM 459 O ARG A 63 -14.472 -35.649 20.543 1.00 13.06 O ATOM 460 CB ARG A 63 -15.563 -36.363 23.428 1.00 12.18 C ATOM 461 CG ARG A 63 -15.518 -37.088 24.799 1.00 14.98 C ATOM 462 CD ARG A 63 -15.798 -36.119 25.971 1.00 17.78 C ATOM 463 NE ARG A 63 -15.902 -36.926 27.196 1.00 20.01 N ATOM 464 CZ ARG A 63 -14.865 -37.313 27.931 1.00 19.28 C ATOM 465 NH1 ARG A 63 -13.635 -36.935 27.601 1.00 14.74 N ATOM 466 NH2 ARG A 63 -15.055 -38.092 28.993 1.00 21.32 N ATOM 0 H ARG A 63 -13.096 -36.600 22.370 1.00 11.71 H new ATOM 0 HA ARG A 63 -15.412 -38.095 22.404 1.00 10.98 H new ATOM 0 HB2 ARG A 63 -15.070 -35.529 23.483 1.00 12.18 H new ATOM 0 HB3 ARG A 63 -16.480 -36.136 23.208 1.00 12.18 H new ATOM 0 HG2 ARG A 63 -16.172 -37.804 24.808 1.00 14.98 H new ATOM 0 HG3 ARG A 63 -14.647 -37.498 24.919 1.00 14.98 H new ATOM 0 HD2 ARG A 63 -15.085 -35.466 26.052 1.00 17.78 H new ATOM 0 HD3 ARG A 63 -16.619 -35.625 25.817 1.00 17.78 H new ATOM 0 HE ARG A 63 -16.687 -37.164 27.454 1.00 20.01 H new ATOM 0 HH11 ARG A 63 -13.508 -36.439 26.910 1.00 14.74 H new ATOM 0 HH12 ARG A 63 -12.965 -37.187 28.078 1.00 14.74 H new ATOM 0 HH21 ARG A 63 -15.849 -38.345 29.204 1.00 21.32 H new ATOM 0 HH22 ARG A 63 -14.383 -38.342 29.468 1.00 21.32 H new ATOM 467 N CYS A 64 -16.161 -37.092 20.172 1.00 11.91 N ATOM 468 CA CYS A 64 -16.329 -36.524 18.824 1.00 10.49 C ATOM 469 C CYS A 64 -17.791 -36.664 18.436 1.00 11.05 C ATOM 470 O CYS A 64 -18.405 -37.713 18.643 1.00 11.90 O ATOM 471 CB CYS A 64 -15.435 -37.245 17.827 1.00 12.34 C ATOM 472 SG CYS A 64 -15.120 -36.256 16.357 1.00 15.42 S ATOM 0 H CYS A 64 -16.706 -37.722 20.386 1.00 11.91 H new ATOM 0 HA CYS A 64 -16.073 -35.588 18.820 1.00 10.49 H new ATOM 0 HB2 CYS A 64 -14.592 -37.467 18.252 1.00 12.34 H new ATOM 0 HB3 CYS A 64 -15.851 -38.082 17.568 1.00 12.34 H new ATOM 0 HG CYS A 64 -15.435 -36.878 15.381 1.00 15.42 H new ATOM 473 N TYR A 65 -18.352 -35.552 17.949 1.00 10.42 N ATOM 474 CA TYR A 65 -19.789 -35.482 17.553 1.00 10.26 C ATOM 475 C TYR A 65 -19.928 -34.856 16.159 1.00 10.84 C ATOM 476 O TYR A 65 -18.966 -34.412 15.549 1.00 11.57 O ATOM 477 CB TYR A 65 -20.639 -34.687 18.572 1.00 11.83 C ATOM 478 CG TYR A 65 -20.305 -35.047 19.974 1.00 12.77 C ATOM 479 CD1 TYR A 65 -21.022 -36.052 20.623 1.00 16.95 C ATOM 480 CD2 TYR A 65 -19.222 -34.427 20.639 1.00 13.97 C ATOM 481 CE1 TYR A 65 -20.663 -36.392 21.972 1.00 16.71 C ATOM 482 CE2 TYR A 65 -18.865 -34.787 21.897 1.00 17.98 C ATOM 483 CZ TYR A 65 -19.589 -35.764 22.545 1.00 17.06 C ATOM 484 OH TYR A 65 -19.201 -36.121 23.834 1.00 22.60 O ATOM 0 H TYR A 65 -17.923 -34.816 17.835 1.00 10.42 H new ATOM 0 HA TYR A 65 -20.125 -36.392 17.537 1.00 10.26 H new ATOM 0 HB2 TYR A 65 -20.496 -33.737 18.440 1.00 11.83 H new ATOM 0 HB3 TYR A 65 -21.580 -34.858 18.410 1.00 11.83 H new ATOM 0 HD1 TYR A 65 -21.718 -36.493 20.192 1.00 16.95 H new ATOM 0 HD2 TYR A 65 -18.744 -33.758 20.204 1.00 13.97 H new ATOM 0 HE1 TYR A 65 -21.150 -37.026 22.447 1.00 16.71 H new ATOM 0 HE2 TYR A 65 -18.142 -34.380 22.316 1.00 17.98 H new ATOM 0 HH TYR A 65 -19.883 -36.256 24.305 1.00 22.60 H new ATOM 485 N GLN A 66 -21.145 -34.803 15.643 1.00 10.45 N ATOM 486 CA GLN A 66 -21.421 -34.068 14.420 1.00 11.29 C ATOM 487 C GLN A 66 -22.816 -33.497 14.498 1.00 11.58 C ATOM 488 O GLN A 66 -23.661 -34.005 15.235 1.00 12.54 O ATOM 489 CB GLN A 66 -21.316 -34.939 13.180 1.00 13.08 C ATOM 490 CG GLN A 66 -22.222 -36.161 13.234 1.00 15.17 C ATOM 491 CD GLN A 66 -22.050 -36.993 11.992 1.00 23.09 C ATOM 492 OE1 GLN A 66 -22.025 -36.466 10.878 1.00 25.29 O ATOM 493 NE2 GLN A 66 -21.847 -38.267 12.186 1.00 23.20 N ATOM 0 H GLN A 66 -21.831 -35.189 15.989 1.00 10.45 H new ATOM 0 HA GLN A 66 -20.755 -33.367 14.343 1.00 11.29 H new ATOM 0 HB2 GLN A 66 -21.541 -34.410 12.399 1.00 13.08 H new ATOM 0 HB3 GLN A 66 -20.397 -35.229 13.071 1.00 13.08 H new ATOM 0 HG2 GLN A 66 -22.013 -36.692 14.018 1.00 15.17 H new ATOM 0 HG3 GLN A 66 -23.147 -35.882 13.319 1.00 15.17 H new ATOM 0 HE21 GLN A 66 -21.874 -38.590 12.982 1.00 23.20 H new ATOM 0 HE22 GLN A 66 -21.686 -38.783 11.517 1.00 23.20 H new ATOM 494 N THR A 67 -23.069 -32.459 13.692 1.00 11.87 N ATOM 495 CA THR A 67 -24.388 -31.907 13.529 1.00 12.40 C ATOM 496 C THR A 67 -24.524 -31.558 12.041 1.00 12.27 C ATOM 497 O THR A 67 -23.584 -31.683 11.280 1.00 14.55 O ATOM 498 CB THR A 67 -24.613 -30.618 14.345 1.00 13.11 C ATOM 499 OG1 THR A 67 -23.872 -29.556 13.738 1.00 13.29 O ATOM 500 CG2 THR A 67 -24.221 -30.736 15.836 1.00 11.84 C ATOM 0 H THR A 67 -22.465 -32.062 13.227 1.00 11.87 H new ATOM 0 HA THR A 67 -25.038 -32.555 13.841 1.00 12.40 H new ATOM 0 HB THR A 67 -25.567 -30.442 14.334 1.00 13.11 H new ATOM 0 HG1 THR A 67 -24.159 -28.818 14.019 1.00 13.29 H new ATOM 0 HG21 THR A 67 -24.389 -29.892 16.283 1.00 11.84 H new ATOM 0 HG22 THR A 67 -24.748 -31.434 16.255 1.00 11.84 H new ATOM 0 HG23 THR A 67 -23.279 -30.957 15.907 1.00 11.84 H new ATOM 501 N PRO A 68 -25.692 -31.060 11.609 1.00 14.62 N ATOM 502 CA PRO A 68 -25.773 -30.730 10.156 1.00 15.46 C ATOM 503 C PRO A 68 -24.837 -29.606 9.710 1.00 17.45 C ATOM 504 O PRO A 68 -24.447 -29.601 8.537 1.00 20.16 O ATOM 505 CB PRO A 68 -27.242 -30.271 9.991 1.00 16.47 C ATOM 506 CG PRO A 68 -27.945 -31.081 11.017 1.00 15.41 C ATOM 507 CD PRO A 68 -27.004 -31.040 12.248 1.00 14.68 C ATOM 0 HA PRO A 68 -25.508 -31.491 9.616 1.00 15.46 H new ATOM 0 HB2 PRO A 68 -27.344 -29.319 10.149 1.00 16.47 H new ATOM 0 HB3 PRO A 68 -27.578 -30.447 9.098 1.00 16.47 H new ATOM 0 HG2 PRO A 68 -28.817 -30.710 11.225 1.00 15.41 H new ATOM 0 HG3 PRO A 68 -28.090 -31.990 10.712 1.00 15.41 H new ATOM 0 HD2 PRO A 68 -27.137 -30.242 12.784 1.00 14.68 H new ATOM 0 HD3 PRO A 68 -27.136 -31.801 12.835 1.00 14.68 H new ATOM 508 N GLN A 69 -24.405 -28.732 10.640 1.00 15.90 N ATOM 509 CA GLN A 69 -23.565 -27.600 10.291 1.00 16.24 C ATOM 510 C GLN A 69 -22.083 -27.944 10.521 1.00 14.60 C ATOM 511 O GLN A 69 -21.203 -27.300 9.968 1.00 14.65 O ATOM 512 CB GLN A 69 -23.927 -26.334 11.096 1.00 16.05 C ATOM 513 CG GLN A 69 -25.240 -25.646 10.736 1.00 19.20 C ATOM 514 CD GLN A 69 -26.457 -26.447 11.197 1.00 23.50 C ATOM 515 OE1 GLN A 69 -26.411 -27.192 12.196 1.00 25.43 O ATOM 516 NE2 GLN A 69 -27.544 -26.310 10.457 1.00 25.54 N ATOM 0 H GLN A 69 -24.595 -28.789 11.477 1.00 15.90 H new ATOM 0 HA GLN A 69 -23.720 -27.412 9.352 1.00 16.24 H new ATOM 0 HB2 GLN A 69 -23.957 -26.571 12.036 1.00 16.05 H new ATOM 0 HB3 GLN A 69 -23.209 -25.691 10.989 1.00 16.05 H new ATOM 0 HG2 GLN A 69 -25.263 -24.765 11.140 1.00 19.20 H new ATOM 0 HG3 GLN A 69 -25.284 -25.519 9.775 1.00 19.20 H new ATOM 0 HE21 GLN A 69 -27.537 -25.786 9.775 1.00 25.54 H new ATOM 0 HE22 GLN A 69 -28.258 -26.745 10.658 1.00 25.54 H new ATOM 517 N PHE A 70 -21.833 -28.927 11.390 1.00 12.97 N ATOM 518 CA PHE A 70 -20.457 -29.275 11.809 1.00 12.20 C ATOM 519 C PHE A 70 -20.193 -30.702 11.492 1.00 12.32 C ATOM 520 O PHE A 70 -20.721 -31.607 12.132 1.00 13.97 O ATOM 521 CB PHE A 70 -20.181 -28.974 13.317 1.00 11.67 C ATOM 522 CG PHE A 70 -20.438 -27.523 13.661 1.00 13.68 C ATOM 523 CD1 PHE A 70 -21.489 -27.168 14.493 1.00 12.80 C ATOM 524 CD2 PHE A 70 -19.664 -26.498 13.079 1.00 15.43 C ATOM 525 CE1 PHE A 70 -21.739 -25.767 14.791 1.00 15.21 C ATOM 526 CE2 PHE A 70 -19.942 -25.160 13.379 1.00 16.06 C ATOM 527 CZ PHE A 70 -20.945 -24.803 14.199 1.00 13.97 C ATOM 0 H PHE A 70 -22.445 -29.410 11.753 1.00 12.97 H new ATOM 0 HA PHE A 70 -19.846 -28.709 11.311 1.00 12.20 H new ATOM 0 HB2 PHE A 70 -20.744 -29.541 13.867 1.00 11.67 H new ATOM 0 HB3 PHE A 70 -19.261 -29.198 13.528 1.00 11.67 H new ATOM 0 HD1 PHE A 70 -22.034 -27.826 14.860 1.00 12.80 H new ATOM 0 HD2 PHE A 70 -18.970 -26.711 12.497 1.00 15.43 H new ATOM 0 HE1 PHE A 70 -22.423 -25.523 15.372 1.00 15.21 H new ATOM 0 HE2 PHE A 70 -19.415 -24.495 12.998 1.00 16.06 H new ATOM 0 HZ PHE A 70 -21.106 -23.903 14.369 1.00 13.97 H new ATOM 528 N ARG A 71 -19.322 -30.900 10.496 1.00 12.16 N ATOM 529 CA ARG A 71 -18.905 -32.233 10.053 1.00 14.10 C ATOM 530 C ARG A 71 -18.357 -33.108 11.167 1.00 12.76 C ATOM 531 O ARG A 71 -18.624 -34.296 11.255 1.00 13.58 O ATOM 532 CB ARG A 71 -17.820 -32.135 8.947 1.00 16.82 C ATOM 533 CG ARG A 71 -17.186 -33.416 8.550 1.00 19.10 C ATOM 534 CD ARG A 71 -16.072 -33.145 7.487 1.00 21.87 C ATOM 535 NE ARG A 71 -14.800 -32.624 8.021 1.00 18.68 N ATOM 536 CZ ARG A 71 -13.848 -33.383 8.564 1.00 22.38 C ATOM 537 NH1 ARG A 71 -14.051 -34.677 8.757 1.00 21.24 N ATOM 538 NH2 ARG A 71 -12.690 -32.854 8.936 1.00 19.89 N ATOM 0 H ARG A 71 -18.955 -30.258 10.056 1.00 12.16 H new ATOM 0 HA ARG A 71 -19.714 -32.647 9.715 1.00 14.10 H new ATOM 0 HB2 ARG A 71 -18.220 -31.734 8.160 1.00 16.82 H new ATOM 0 HB3 ARG A 71 -17.125 -31.530 9.252 1.00 16.82 H new ATOM 0 HG2 ARG A 71 -16.804 -33.853 9.327 1.00 19.10 H new ATOM 0 HG3 ARG A 71 -17.853 -34.018 8.186 1.00 19.10 H new ATOM 0 HD2 ARG A 71 -15.891 -33.971 7.012 1.00 21.87 H new ATOM 0 HD3 ARG A 71 -16.415 -32.513 6.836 1.00 21.87 H new ATOM 0 HE ARG A 71 -14.664 -31.776 7.979 1.00 18.68 H new ATOM 0 HH11 ARG A 71 -14.801 -35.033 8.532 1.00 21.24 H new ATOM 0 HH12 ARG A 71 -13.433 -35.162 9.108 1.00 21.24 H new ATOM 0 HH21 ARG A 71 -12.547 -32.013 8.828 1.00 19.89 H new ATOM 0 HH22 ARG A 71 -12.082 -33.352 9.285 1.00 19.89 H new ATOM 539 N LYS A 72 -17.564 -32.496 12.024 1.00 11.59 N ATOM 540 CA LYS A 72 -16.856 -33.232 13.075 1.00 11.69 C ATOM 541 C LYS A 72 -16.554 -32.237 14.162 1.00 11.92 C ATOM 542 O LYS A 72 -15.996 -31.162 13.931 1.00 13.48 O ATOM 543 CB LYS A 72 -15.545 -33.732 12.477 1.00 12.50 C ATOM 544 CG LYS A 72 -14.623 -34.445 13.434 1.00 13.64 C ATOM 545 CD LYS A 72 -13.431 -35.038 12.647 1.00 17.05 C ATOM 546 CE LYS A 72 -12.298 -35.318 13.607 1.00 16.77 C ATOM 547 NZ LYS A 72 -11.132 -35.716 12.817 1.00 18.62 N ATOM 0 H LYS A 72 -17.416 -31.649 12.021 1.00 11.59 H new ATOM 0 HA LYS A 72 -17.371 -33.978 13.420 1.00 11.69 H new ATOM 0 HB2 LYS A 72 -15.751 -34.332 11.743 1.00 12.50 H new ATOM 0 HB3 LYS A 72 -15.071 -32.975 12.099 1.00 12.50 H new ATOM 0 HG2 LYS A 72 -14.303 -33.829 14.111 1.00 13.64 H new ATOM 0 HG3 LYS A 72 -15.102 -35.150 13.896 1.00 13.64 H new ATOM 0 HD2 LYS A 72 -13.699 -35.855 12.198 1.00 17.05 H new ATOM 0 HD3 LYS A 72 -13.142 -34.418 11.959 1.00 17.05 H new ATOM 0 HE2 LYS A 72 -12.098 -34.530 14.136 1.00 16.77 H new ATOM 0 HE3 LYS A 72 -12.544 -36.021 14.228 1.00 16.77 H new ATOM 0 HZ1 LYS A 72 -10.411 -35.732 13.339 1.00 18.62 H new ATOM 0 HZ2 LYS A 72 -11.268 -36.526 12.474 1.00 18.62 H new ATOM 0 HZ3 LYS A 72 -11.007 -35.132 12.157 1.00 18.62 H new ATOM 548 N MET A 73 -16.920 -32.604 15.371 1.00 9.65 N ATOM 549 CA MET A 73 -16.695 -31.709 16.554 1.00 9.46 C ATOM 550 C MET A 73 -15.880 -32.539 17.569 1.00 10.13 C ATOM 551 O MET A 73 -16.433 -33.444 18.212 1.00 9.18 O ATOM 552 CB MET A 73 -18.062 -31.343 17.144 1.00 10.82 C ATOM 553 CG MET A 73 -18.965 -30.556 16.222 1.00 11.22 C ATOM 554 SD MET A 73 -20.713 -30.706 16.624 1.00 18.29 S ATOM 555 CE MET A 73 -20.712 -29.930 18.208 1.00 17.52 C ATOM 0 H MET A 73 -17.298 -33.354 15.555 1.00 9.65 H new ATOM 0 HA MET A 73 -16.226 -30.892 16.322 1.00 9.46 H new ATOM 0 HB2 MET A 73 -18.517 -32.160 17.401 1.00 10.82 H new ATOM 0 HB3 MET A 73 -17.922 -30.829 17.955 1.00 10.82 H new ATOM 0 HG2 MET A 73 -18.712 -29.620 16.256 1.00 11.22 H new ATOM 0 HG3 MET A 73 -18.824 -30.855 15.310 1.00 11.22 H new ATOM 0 HE1 MET A 73 -21.621 -29.875 18.542 1.00 17.52 H new ATOM 0 HE2 MET A 73 -20.173 -30.451 18.823 1.00 17.52 H new ATOM 0 HE3 MET A 73 -20.341 -29.037 18.131 1.00 17.52 H new ATOM 556 N HIS A 74 -14.587 -32.229 17.680 1.00 8.29 N ATOM 557 CA HIS A 74 -13.641 -33.125 18.318 1.00 10.14 C ATOM 558 C HIS A 74 -13.120 -32.413 19.572 1.00 8.84 C ATOM 559 O HIS A 74 -12.679 -31.238 19.490 1.00 9.13 O ATOM 560 CB HIS A 74 -12.483 -33.395 17.325 1.00 12.51 C ATOM 561 CG HIS A 74 -11.603 -34.521 17.712 1.00 16.14 C ATOM 562 ND1 HIS A 74 -10.410 -34.760 17.062 1.00 18.48 N ATOM 563 CD2 HIS A 74 -11.712 -35.452 18.695 1.00 15.22 C ATOM 564 CE1 HIS A 74 -9.821 -35.807 17.625 1.00 18.10 C ATOM 565 NE2 HIS A 74 -10.589 -36.242 18.616 1.00 17.69 N ATOM 0 H HIS A 74 -14.242 -31.497 17.388 1.00 8.29 H new ATOM 0 HA HIS A 74 -14.047 -33.971 18.563 1.00 10.14 H new ATOM 0 HB2 HIS A 74 -12.857 -33.576 16.449 1.00 12.51 H new ATOM 0 HB3 HIS A 74 -11.946 -32.591 17.243 1.00 12.51 H new ATOM 0 HD2 HIS A 74 -12.410 -35.538 19.303 1.00 15.22 H new ATOM 0 HE1 HIS A 74 -9.006 -36.175 17.368 1.00 18.10 H new ATOM 0 HE2 HIS A 74 -10.413 -36.911 19.127 1.00 17.69 H new ATOM 566 N LEU A 75 -13.199 -33.063 20.722 1.00 8.67 N ATOM 567 CA LEU A 75 -12.617 -32.579 21.983 1.00 8.77 C ATOM 568 C LEU A 75 -11.722 -33.685 22.508 1.00 8.86 C ATOM 569 O LEU A 75 -12.162 -34.816 22.722 1.00 10.18 O ATOM 570 CB LEU A 75 -13.736 -32.204 23.004 1.00 8.92 C ATOM 571 CG LEU A 75 -13.241 -31.892 24.424 1.00 8.43 C ATOM 572 CD1 LEU A 75 -12.406 -30.566 24.388 1.00 9.81 C ATOM 573 CD2 LEU A 75 -14.371 -31.673 25.366 1.00 12.11 C ATOM 0 H LEU A 75 -13.602 -33.819 20.802 1.00 8.67 H new ATOM 0 HA LEU A 75 -12.100 -31.770 21.842 1.00 8.77 H new ATOM 0 HB2 LEU A 75 -14.217 -31.432 22.667 1.00 8.92 H new ATOM 0 HB3 LEU A 75 -14.371 -32.936 23.051 1.00 8.92 H new ATOM 0 HG LEU A 75 -12.715 -32.649 24.725 1.00 8.43 H new ATOM 0 HD11 LEU A 75 -12.088 -30.359 25.281 1.00 9.81 H new ATOM 0 HD12 LEU A 75 -11.648 -30.677 23.793 1.00 9.81 H new ATOM 0 HD13 LEU A 75 -12.964 -29.840 24.068 1.00 9.81 H new ATOM 0 HD21 LEU A 75 -14.022 -31.479 26.250 1.00 12.11 H new ATOM 0 HD22 LEU A 75 -14.908 -30.926 25.059 1.00 12.11 H new ATOM 0 HD23 LEU A 75 -14.921 -32.471 25.404 1.00 12.11 H new ATOM 574 N GLU A 76 -10.422 -33.356 22.632 1.00 8.14 N ATOM 575 CA GLU A 76 -9.448 -34.285 23.234 1.00 7.83 C ATOM 576 C GLU A 76 -8.951 -33.697 24.540 1.00 8.12 C ATOM 577 O GLU A 76 -8.658 -32.482 24.602 1.00 7.22 O ATOM 578 CB GLU A 76 -8.265 -34.434 22.335 1.00 9.72 C ATOM 579 CG GLU A 76 -8.537 -35.136 21.058 1.00 12.84 C ATOM 580 CD AGLU A 76 -7.242 -35.282 20.429 0.50 10.72 C ATOM 581 OE1AGLU A 76 -6.763 -36.390 20.533 0.50 10.34 O ATOM 582 OE2AGLU A 76 -6.655 -34.264 19.975 0.50 13.87 O ATOM 0 H GLU A 76 -10.088 -32.606 22.376 1.00 8.14 H new ATOM 0 HA GLU A 76 -9.878 -35.143 23.373 1.00 7.83 H new ATOM 0 HB2 GLU A 76 -7.913 -33.552 22.136 1.00 9.72 H new ATOM 0 HB3 GLU A 76 -7.571 -34.915 22.812 1.00 9.72 H new ATOM 0 HG2AGLU A 76 -8.952 -35.999 21.213 0.50 12.84 H new ATOM 0 HG3AGLU A 76 -9.144 -34.626 20.499 0.50 12.84 H new ATOM 583 N LEU A 77 -8.834 -34.522 25.588 1.00 8.31 N ATOM 584 CA LEU A 77 -8.097 -34.218 26.787 1.00 9.22 C ATOM 585 C LEU A 77 -6.935 -35.170 26.867 1.00 9.49 C ATOM 586 O LEU A 77 -7.074 -36.355 26.599 1.00 10.15 O ATOM 587 CB LEU A 77 -9.032 -34.432 27.974 1.00 9.62 C ATOM 588 CG LEU A 77 -10.339 -33.600 27.954 1.00 11.84 C ATOM 589 CD1 LEU A 77 -11.337 -33.980 29.087 1.00 14.96 C ATOM 590 CD2 LEU A 77 -10.034 -32.064 28.000 1.00 10.76 C ATOM 0 H LEU A 77 -9.201 -35.300 25.606 1.00 8.31 H new ATOM 0 HA LEU A 77 -7.770 -33.305 26.789 1.00 9.22 H new ATOM 0 HB2 LEU A 77 -9.267 -35.372 28.015 1.00 9.62 H new ATOM 0 HB3 LEU A 77 -8.548 -34.224 28.788 1.00 9.62 H new ATOM 0 HG LEU A 77 -10.772 -33.818 27.114 1.00 11.84 H new ATOM 0 HD11 LEU A 77 -12.130 -33.426 29.019 1.00 14.96 H new ATOM 0 HD12 LEU A 77 -11.587 -34.913 28.999 1.00 14.96 H new ATOM 0 HD13 LEU A 77 -10.917 -33.838 29.950 1.00 14.96 H new ATOM 0 HD21 LEU A 77 -10.867 -31.568 27.986 1.00 10.76 H new ATOM 0 HD22 LEU A 77 -9.547 -31.855 28.812 1.00 10.76 H new ATOM 0 HD23 LEU A 77 -9.499 -31.817 27.230 1.00 10.76 H new ATOM 591 N ALA A 78 -5.733 -34.692 27.214 1.00 8.71 N ATOM 592 CA ALA A 78 -4.602 -35.628 27.305 1.00 9.35 C ATOM 593 C ALA A 78 -3.671 -35.265 28.444 1.00 10.34 C ATOM 594 O ALA A 78 -3.650 -34.128 28.924 1.00 9.63 O ATOM 595 CB ALA A 78 -3.810 -35.602 25.999 1.00 10.68 C ATOM 0 H ALA A 78 -5.555 -33.870 27.393 1.00 8.71 H new ATOM 0 HA ALA A 78 -4.963 -36.513 27.469 1.00 9.35 H new ATOM 0 HB1 ALA A 78 -3.064 -36.220 26.060 1.00 10.68 H new ATOM 0 HB2 ALA A 78 -4.387 -35.864 25.265 1.00 10.68 H new ATOM 0 HB3 ALA A 78 -3.475 -34.706 25.841 1.00 10.68 H new ATOM 596 N LYS A 79 -2.923 -36.261 28.893 1.00 10.54 N ATOM 597 CA LYS A 79 -1.890 -36.046 29.909 1.00 11.12 C ATOM 598 C LYS A 79 -0.667 -36.847 29.503 1.00 9.97 C ATOM 599 O LYS A 79 -0.802 -38.023 29.133 1.00 10.75 O ATOM 600 CB LYS A 79 -2.347 -36.552 31.254 1.00 11.41 C ATOM 601 CG LYS A 79 -3.261 -35.726 32.139 1.00 20.89 C ATOM 602 CD LYS A 79 -2.955 -36.323 33.578 1.00 23.41 C ATOM 603 CE LYS A 79 -3.280 -35.466 34.750 1.00 27.32 C ATOM 604 NZ LYS A 79 -2.425 -34.338 34.998 1.00 23.31 N ATOM 0 H LYS A 79 -2.994 -37.075 28.624 1.00 10.54 H new ATOM 0 HA LYS A 79 -1.700 -35.097 29.974 1.00 11.12 H new ATOM 0 HB2 LYS A 79 -2.793 -37.400 31.100 1.00 11.41 H new ATOM 0 HB3 LYS A 79 -1.548 -36.741 31.771 1.00 11.41 H new ATOM 0 HG2 LYS A 79 -3.057 -34.779 32.088 1.00 20.89 H new ATOM 0 HG3 LYS A 79 -4.194 -35.829 31.894 1.00 20.89 H new ATOM 0 HD2 LYS A 79 -3.444 -37.156 33.669 1.00 23.41 H new ATOM 0 HD3 LYS A 79 -2.011 -36.543 33.618 1.00 23.41 H new ATOM 0 HE2 LYS A 79 -4.186 -35.138 34.640 1.00 27.32 H new ATOM 0 HE3 LYS A 79 -3.276 -36.026 35.542 1.00 27.32 H new ATOM 0 HZ1 LYS A 79 -2.856 -33.743 35.500 1.00 23.31 H new ATOM 0 HZ2 LYS A 79 -1.692 -34.609 35.424 1.00 23.31 H new ATOM 0 HZ3 LYS A 79 -2.196 -33.963 34.224 1.00 23.31 H new ATOM 605 N VAL A 80 0.509 -36.227 29.575 1.00 11.72 N ATOM 606 CA VAL A 80 1.776 -36.994 29.484 1.00 12.26 C ATOM 607 C VAL A 80 2.371 -37.110 30.911 1.00 12.40 C ATOM 608 O VAL A 80 2.728 -36.091 31.549 1.00 13.10 O ATOM 609 CB VAL A 80 2.775 -36.299 28.544 1.00 12.74 C ATOM 610 CG1 VAL A 80 4.058 -37.117 28.339 1.00 13.99 C ATOM 611 CG2 VAL A 80 2.134 -36.053 27.188 1.00 15.15 C ATOM 0 H VAL A 80 0.606 -35.378 29.675 1.00 11.72 H new ATOM 0 HA VAL A 80 1.599 -37.875 29.119 1.00 12.26 H new ATOM 0 HB VAL A 80 3.015 -35.460 28.967 1.00 12.74 H new ATOM 0 HG11 VAL A 80 4.654 -36.640 27.741 1.00 13.99 H new ATOM 0 HG12 VAL A 80 4.497 -37.251 29.194 1.00 13.99 H new ATOM 0 HG13 VAL A 80 3.835 -37.978 27.952 1.00 13.99 H new ATOM 0 HG21 VAL A 80 2.772 -35.615 26.603 1.00 15.15 H new ATOM 0 HG22 VAL A 80 1.867 -36.900 26.798 1.00 15.15 H new ATOM 0 HG23 VAL A 80 1.354 -35.487 27.297 1.00 15.15 H new ATOM 612 N GLY A 81 2.505 -38.335 31.400 1.00 15.49 N ATOM 613 CA GLY A 81 2.945 -38.539 32.796 1.00 17.22 C ATOM 614 C GLY A 81 2.219 -37.656 33.776 1.00 20.37 C ATOM 615 O GLY A 81 1.015 -37.448 33.671 1.00 21.83 O ATOM 0 H GLY A 81 2.352 -39.057 30.958 1.00 15.49 H new ATOM 0 HA2 GLY A 81 2.807 -39.467 33.041 1.00 17.22 H new ATOM 0 HA3 GLY A 81 3.898 -38.368 32.858 1.00 17.22 H new ATOM 616 N LYS A 82 2.971 -37.063 34.682 1.00 21.42 N ATOM 617 CA LYS A 82 2.403 -36.161 35.692 1.00 24.83 C ATOM 618 C LYS A 82 2.688 -34.702 35.318 1.00 24.88 C ATOM 619 O LYS A 82 2.328 -33.754 36.072 1.00 27.98 O ATOM 620 CB LYS A 82 3.052 -36.486 37.062 1.00 25.37 C ATOM 621 CG LYS A 82 2.346 -35.957 38.322 1.00 34.09 C ATOM 622 CD LYS A 82 3.034 -34.705 38.989 1.00 40.38 C ATOM 623 CE LYS A 82 4.411 -35.032 39.668 1.00 44.62 C ATOM 624 NZ LYS A 82 4.338 -35.401 41.133 1.00 45.36 N ATOM 0 H LYS A 82 3.823 -37.165 34.738 1.00 21.42 H new ATOM 0 HA LYS A 82 1.442 -36.285 35.739 1.00 24.83 H new ATOM 0 HB2 LYS A 82 3.121 -37.450 37.140 1.00 25.37 H new ATOM 0 HB3 LYS A 82 3.957 -36.136 37.056 1.00 25.37 H new ATOM 0 HG2 LYS A 82 1.433 -35.724 38.092 1.00 34.09 H new ATOM 0 HG3 LYS A 82 2.300 -36.672 38.976 1.00 34.09 H new ATOM 0 HD2 LYS A 82 3.169 -34.022 38.314 1.00 40.38 H new ATOM 0 HD3 LYS A 82 2.434 -34.332 39.654 1.00 40.38 H new ATOM 0 HE2 LYS A 82 4.827 -35.764 39.186 1.00 44.62 H new ATOM 0 HE3 LYS A 82 4.993 -34.262 39.572 1.00 44.62 H new ATOM 0 HZ1 LYS A 82 5.157 -35.570 41.438 1.00 45.36 H new ATOM 0 HZ2 LYS A 82 3.984 -34.726 41.592 1.00 45.36 H new ATOM 0 HZ3 LYS A 82 3.830 -36.125 41.232 1.00 45.36 H new ATOM 625 N GLY A 83 3.352 -34.491 34.186 1.00 22.98 N ATOM 626 CA GLY A 83 3.988 -33.178 33.915 1.00 21.84 C ATOM 627 C GLY A 83 3.351 -32.337 32.816 1.00 19.69 C ATOM 628 O GLY A 83 3.788 -31.212 32.537 1.00 19.93 O ATOM 0 H GLY A 83 3.452 -35.077 33.564 1.00 22.98 H new ATOM 0 HA2 GLY A 83 3.983 -32.661 34.736 1.00 21.84 H new ATOM 0 HA3 GLY A 83 4.917 -33.331 33.682 1.00 21.84 H new ATOM 629 N LEU A 84 2.308 -32.869 32.199 1.00 15.73 N ATOM 630 CA LEU A 84 1.876 -32.212 31.006 1.00 14.20 C ATOM 631 C LEU A 84 0.418 -32.519 30.685 1.00 13.29 C ATOM 632 O LEU A 84 0.086 -33.645 30.458 1.00 14.84 O ATOM 633 CB LEU A 84 2.796 -32.592 29.849 1.00 16.11 C ATOM 634 CG LEU A 84 2.522 -31.841 28.565 1.00 17.62 C ATOM 635 CD1 LEU A 84 3.125 -30.459 28.569 1.00 19.86 C ATOM 636 CD2 LEU A 84 3.038 -32.630 27.313 1.00 22.95 C ATOM 0 H LEU A 84 1.867 -33.566 32.442 1.00 15.73 H new ATOM 0 HA LEU A 84 1.930 -31.254 31.147 1.00 14.20 H new ATOM 0 HB2 LEU A 84 3.715 -32.433 30.115 1.00 16.11 H new ATOM 0 HB3 LEU A 84 2.710 -33.543 29.680 1.00 16.11 H new ATOM 0 HG LEU A 84 1.558 -31.753 28.509 1.00 17.62 H new ATOM 0 HD11 LEU A 84 2.925 -30.016 27.730 1.00 19.86 H new ATOM 0 HD12 LEU A 84 2.752 -29.945 29.302 1.00 19.86 H new ATOM 0 HD13 LEU A 84 4.087 -30.526 28.678 1.00 19.86 H new ATOM 0 HD21 LEU A 84 2.847 -32.122 26.509 1.00 22.95 H new ATOM 0 HD22 LEU A 84 3.995 -32.767 27.389 1.00 22.95 H new ATOM 0 HD23 LEU A 84 2.591 -33.490 27.265 1.00 22.95 H new ATOM 637 N ASP A 85 -0.400 -31.482 30.677 1.00 10.49 N ATOM 638 CA ASP A 85 -1.826 -31.572 30.364 1.00 9.52 C ATOM 639 C ASP A 85 -2.138 -30.828 29.072 1.00 9.39 C ATOM 640 O ASP A 85 -1.570 -29.755 28.820 1.00 9.41 O ATOM 641 CB ASP A 85 -2.689 -30.900 31.462 1.00 11.41 C ATOM 642 CG ASP A 85 -2.559 -31.551 32.841 1.00 13.60 C ATOM 643 OD1 ASP A 85 -1.993 -32.664 32.925 1.00 15.11 O ATOM 644 OD2 ASP A 85 -3.036 -30.949 33.847 1.00 13.86 O ATOM 0 H ASP A 85 -0.140 -30.682 30.857 1.00 10.49 H new ATOM 0 HA ASP A 85 -2.031 -32.517 30.293 1.00 9.52 H new ATOM 0 HB2 ASP A 85 -2.438 -29.966 31.531 1.00 11.41 H new ATOM 0 HB3 ASP A 85 -3.620 -30.925 31.189 1.00 11.41 H new ATOM 645 N ILE A 86 -3.044 -31.388 28.263 1.00 7.99 N ATOM 646 CA ILE A 86 -3.412 -30.830 26.966 1.00 8.79 C ATOM 647 C ILE A 86 -4.913 -30.867 26.776 1.00 7.63 C ATOM 648 O ILE A 86 -5.588 -31.865 27.133 1.00 8.35 O ATOM 649 CB ILE A 86 -2.728 -31.684 25.880 1.00 8.45 C ATOM 650 CG1 ILE A 86 -1.218 -31.542 25.980 1.00 10.52 C ATOM 651 CG2 ILE A 86 -3.195 -31.296 24.482 1.00 11.15 C ATOM 652 CD1 ILE A 86 -0.495 -32.701 25.348 1.00 13.67 C ATOM 0 H ILE A 86 -3.465 -32.112 28.459 1.00 7.99 H new ATOM 0 HA ILE A 86 -3.127 -29.905 26.909 1.00 8.79 H new ATOM 0 HB ILE A 86 -2.978 -32.609 26.031 1.00 8.45 H new ATOM 0 HG12 ILE A 86 -0.943 -30.718 25.549 1.00 10.52 H new ATOM 0 HG13 ILE A 86 -0.962 -31.473 26.913 1.00 10.52 H new ATOM 0 HG21 ILE A 86 -2.746 -31.851 23.825 1.00 11.15 H new ATOM 0 HG22 ILE A 86 -4.154 -31.425 24.413 1.00 11.15 H new ATOM 0 HG23 ILE A 86 -2.982 -30.364 24.317 1.00 11.15 H new ATOM 0 HD11 ILE A 86 0.462 -32.571 25.434 1.00 13.67 H new ATOM 0 HD12 ILE A 86 -0.750 -33.524 25.794 1.00 13.67 H new ATOM 0 HD13 ILE A 86 -0.731 -32.756 24.409 1.00 13.67 H new ATOM 653 N LEU A 87 -5.439 -29.777 26.198 1.00 7.41 N ATOM 654 CA LEU A 87 -6.808 -29.809 25.667 1.00 6.64 C ATOM 655 C LEU A 87 -6.721 -29.449 24.215 1.00 7.17 C ATOM 656 O LEU A 87 -6.046 -28.472 23.880 1.00 7.78 O ATOM 657 CB LEU A 87 -7.692 -28.765 26.377 1.00 6.52 C ATOM 658 CG LEU A 87 -9.110 -28.736 25.863 1.00 9.57 C ATOM 659 CD1 LEU A 87 -10.073 -28.305 26.995 1.00 8.69 C ATOM 660 CD2 LEU A 87 -9.260 -27.713 24.727 1.00 10.27 C ATOM 0 H LEU A 87 -5.030 -29.026 26.105 1.00 7.41 H new ATOM 0 HA LEU A 87 -7.197 -30.687 25.804 1.00 6.64 H new ATOM 0 HB2 LEU A 87 -7.703 -28.953 27.328 1.00 6.52 H new ATOM 0 HB3 LEU A 87 -7.296 -27.886 26.266 1.00 6.52 H new ATOM 0 HG LEU A 87 -9.322 -29.627 25.543 1.00 9.57 H new ATOM 0 HD11 LEU A 87 -10.982 -28.288 26.658 1.00 8.69 H new ATOM 0 HD12 LEU A 87 -10.012 -28.936 27.729 1.00 8.69 H new ATOM 0 HD13 LEU A 87 -9.829 -27.420 27.308 1.00 8.69 H new ATOM 0 HD21 LEU A 87 -10.177 -27.711 24.412 1.00 10.27 H new ATOM 0 HD22 LEU A 87 -9.029 -26.830 25.054 1.00 10.27 H new ATOM 0 HD23 LEU A 87 -8.668 -27.952 23.996 1.00 10.27 H new ATOM 661 N GLN A 88 -7.375 -30.202 23.353 1.00 6.44 N ATOM 662 CA GLN A 88 -7.469 -29.875 21.949 1.00 6.23 C ATOM 663 C GLN A 88 -8.926 -29.883 21.500 1.00 6.89 C ATOM 664 O GLN A 88 -9.665 -30.758 21.911 1.00 8.17 O ATOM 665 CB GLN A 88 -6.619 -30.855 21.138 1.00 7.09 C ATOM 666 CG GLN A 88 -6.517 -30.506 19.654 1.00 9.31 C ATOM 667 CD GLN A 88 -7.486 -31.189 18.748 1.00 18.77 C ATOM 668 OE1 GLN A 88 -8.236 -32.123 19.277 1.00 21.48 O flip ATOM 669 NE2 GLN A 88 -7.535 -30.886 17.559 1.00 15.57 N flip ATOM 0 H GLN A 88 -7.782 -30.927 23.571 1.00 6.44 H new ATOM 0 HA GLN A 88 -7.125 -28.981 21.798 1.00 6.23 H new ATOM 0 HB2 GLN A 88 -5.726 -30.885 21.516 1.00 7.09 H new ATOM 0 HB3 GLN A 88 -6.994 -31.745 21.227 1.00 7.09 H new ATOM 0 HG2 GLN A 88 -6.633 -29.548 19.558 1.00 9.31 H new ATOM 0 HG3 GLN A 88 -5.619 -30.715 19.353 1.00 9.31 H new ATOM 0 HE21 GLN A 88 -7.024 -30.266 17.252 1.00 15.57 H new ATOM 0 HE22 GLN A 88 -8.080 -31.294 17.033 1.00 15.57 H new ATOM 670 N CYS A 89 -9.321 -28.921 20.650 1.00 6.91 N ATOM 671 CA CYS A 89 -10.666 -28.955 20.126 1.00 6.99 C ATOM 672 C CYS A 89 -10.657 -28.362 18.733 1.00 7.34 C ATOM 673 O CYS A 89 -10.058 -27.294 18.530 1.00 7.35 O ATOM 674 CB CYS A 89 -11.584 -28.117 21.040 1.00 6.74 C ATOM 675 SG CYS A 89 -13.282 -28.009 20.507 1.00 9.71 S ATOM 0 H CYS A 89 -8.833 -28.266 20.380 1.00 6.91 H new ATOM 0 HA CYS A 89 -10.992 -29.868 20.092 1.00 6.99 H new ATOM 0 HB2 CYS A 89 -11.563 -28.496 21.932 1.00 6.74 H new ATOM 0 HB3 CYS A 89 -11.222 -27.220 21.105 1.00 6.74 H new ATOM 0 HG CYS A 89 -13.598 -29.033 19.967 1.00 9.71 H new ATOM 676 N VAL A 90 -11.371 -29.009 17.804 1.00 6.86 N ATOM 677 CA VAL A 90 -11.666 -28.370 16.517 1.00 7.45 C ATOM 678 C VAL A 90 -13.128 -28.684 16.196 1.00 6.96 C ATOM 679 O VAL A 90 -13.584 -29.852 16.381 1.00 8.86 O ATOM 680 CB VAL A 90 -10.792 -28.913 15.354 1.00 8.59 C ATOM 681 CG1 VAL A 90 -11.107 -28.116 14.061 1.00 9.89 C ATOM 682 CG2 VAL A 90 -9.351 -28.799 15.735 1.00 10.20 C ATOM 0 H VAL A 90 -11.688 -29.803 17.897 1.00 6.86 H new ATOM 0 HA VAL A 90 -11.482 -27.421 16.595 1.00 7.45 H new ATOM 0 HB VAL A 90 -10.989 -29.848 15.185 1.00 8.59 H new ATOM 0 HG11 VAL A 90 -10.563 -28.453 13.332 1.00 9.89 H new ATOM 0 HG12 VAL A 90 -12.045 -28.219 13.838 1.00 9.89 H new ATOM 0 HG13 VAL A 90 -10.910 -27.177 14.204 1.00 9.89 H new ATOM 0 HG21 VAL A 90 -8.798 -29.136 15.013 1.00 10.20 H new ATOM 0 HG22 VAL A 90 -9.133 -27.869 15.901 1.00 10.20 H new ATOM 0 HG23 VAL A 90 -9.186 -29.318 16.538 1.00 10.20 H new ATOM 683 N MET A 91 -13.816 -27.689 15.699 1.00 8.39 N ATOM 684 CA MET A 91 -15.153 -27.909 15.091 1.00 9.03 C ATOM 685 C MET A 91 -14.896 -27.717 13.584 1.00 9.27 C ATOM 686 O MET A 91 -14.603 -26.618 13.102 1.00 10.09 O ATOM 687 CB MET A 91 -16.180 -26.908 15.565 1.00 8.73 C ATOM 688 CG MET A 91 -16.432 -27.003 17.072 1.00 11.37 C ATOM 689 SD MET A 91 -17.410 -25.687 17.741 1.00 10.11 S ATOM 690 CE MET A 91 -19.066 -26.041 17.061 1.00 10.58 C ATOM 0 H MET A 91 -13.549 -26.872 15.692 1.00 8.39 H new ATOM 0 HA MET A 91 -15.513 -28.778 15.328 1.00 9.03 H new ATOM 0 HB2 MET A 91 -15.881 -26.012 15.345 1.00 8.73 H new ATOM 0 HB3 MET A 91 -17.013 -27.053 15.090 1.00 8.73 H new ATOM 0 HG2 MET A 91 -16.873 -27.846 17.262 1.00 11.37 H new ATOM 0 HG3 MET A 91 -15.577 -27.020 17.530 1.00 11.37 H new ATOM 0 HE1 MET A 91 -19.686 -25.351 17.344 1.00 10.58 H new ATOM 0 HE2 MET A 91 -19.021 -26.058 16.092 1.00 10.58 H new ATOM 0 HE3 MET A 91 -19.372 -26.903 17.385 1.00 10.58 H new ATOM 691 N PHE A 92 -14.991 -28.813 12.856 1.00 11.08 N ATOM 692 CA PHE A 92 -14.795 -28.804 11.402 1.00 12.04 C ATOM 693 C PHE A 92 -16.143 -28.570 10.785 1.00 13.59 C ATOM 694 O PHE A 92 -17.120 -29.358 11.005 1.00 13.35 O ATOM 695 CB PHE A 92 -14.235 -30.164 10.929 1.00 12.04 C ATOM 696 CG PHE A 92 -12.844 -30.474 11.414 1.00 10.55 C ATOM 697 CD1 PHE A 92 -12.642 -31.256 12.578 1.00 11.95 C ATOM 698 CD2 PHE A 92 -11.746 -30.002 10.710 1.00 15.68 C ATOM 699 CE1 PHE A 92 -11.363 -31.602 13.033 1.00 13.72 C ATOM 700 CE2 PHE A 92 -10.461 -30.332 11.187 1.00 13.16 C ATOM 701 CZ PHE A 92 -10.275 -31.120 12.329 1.00 14.87 C ATOM 0 H PHE A 92 -15.171 -29.588 13.182 1.00 11.08 H new ATOM 0 HA PHE A 92 -14.163 -28.115 11.144 1.00 12.04 H new ATOM 0 HB2 PHE A 92 -14.833 -30.867 11.227 1.00 12.04 H new ATOM 0 HB3 PHE A 92 -14.238 -30.182 9.959 1.00 12.04 H new ATOM 0 HD1 PHE A 92 -13.384 -31.550 13.056 1.00 11.95 H new ATOM 0 HD2 PHE A 92 -11.854 -29.483 9.946 1.00 15.68 H new ATOM 0 HE1 PHE A 92 -11.249 -32.138 13.784 1.00 13.72 H new ATOM 0 HE2 PHE A 92 -9.715 -30.017 10.730 1.00 13.16 H new ATOM 0 HZ PHE A 92 -9.414 -31.321 12.616 1.00 14.87 H new ATOM 702 N PRO A 93 -16.271 -27.495 10.012 1.00 13.51 N ATOM 703 CA PRO A 93 -17.536 -27.099 9.459 1.00 14.34 C ATOM 704 C PRO A 93 -17.976 -28.001 8.277 1.00 16.19 C ATOM 705 O PRO A 93 -17.116 -28.579 7.545 1.00 16.24 O ATOM 706 CB PRO A 93 -17.254 -25.658 8.936 1.00 13.77 C ATOM 707 CG PRO A 93 -15.809 -25.642 8.641 1.00 13.82 C ATOM 708 CD PRO A 93 -15.173 -26.541 9.696 1.00 13.48 C ATOM 0 HA PRO A 93 -18.250 -27.161 10.113 1.00 14.34 H new ATOM 0 HB2 PRO A 93 -17.778 -25.462 8.143 1.00 13.77 H new ATOM 0 HB3 PRO A 93 -17.485 -24.990 9.601 1.00 13.77 H new ATOM 0 HG2 PRO A 93 -15.631 -25.972 7.746 1.00 13.82 H new ATOM 0 HG3 PRO A 93 -15.452 -24.741 8.687 1.00 13.82 H new ATOM 0 HD2 PRO A 93 -14.386 -26.996 9.356 1.00 13.48 H new ATOM 0 HD3 PRO A 93 -14.895 -26.039 10.478 1.00 13.48 H new ATOM 709 N GLU A 94 -19.277 -28.122 8.108 1.00 16.34 N ATOM 710 CA GLU A 94 -19.773 -28.669 6.832 1.00 16.37 C ATOM 711 C GLU A 94 -19.616 -27.567 5.753 1.00 15.86 C ATOM 712 O GLU A 94 -20.163 -26.470 5.897 1.00 16.10 O ATOM 713 CB GLU A 94 -21.231 -29.115 6.936 1.00 17.19 C ATOM 714 CG GLU A 94 -21.458 -30.431 7.636 1.00 20.66 C ATOM 715 CD GLU A 94 -21.013 -31.668 6.818 1.00 22.51 C ATOM 716 OE1 GLU A 94 -20.987 -32.774 7.424 1.00 23.27 O ATOM 717 OE2 GLU A 94 -20.662 -31.529 5.601 1.00 27.24 O ATOM 0 H GLU A 94 -19.878 -27.907 8.684 1.00 16.34 H new ATOM 0 HA GLU A 94 -19.258 -29.456 6.595 1.00 16.37 H new ATOM 0 HB2 GLU A 94 -21.731 -28.427 7.403 1.00 17.19 H new ATOM 0 HB3 GLU A 94 -21.599 -29.175 6.041 1.00 17.19 H new ATOM 0 HG2 GLU A 94 -20.979 -30.424 8.480 1.00 20.66 H new ATOM 0 HG3 GLU A 94 -22.401 -30.516 7.846 1.00 20.66 H new ATOM 718 N PRO A 95 -18.831 -27.860 4.681 1.00 17.34 N ATOM 719 CA PRO A 95 -18.490 -26.756 3.760 1.00 16.30 C ATOM 720 C PRO A 95 -19.664 -26.025 3.117 1.00 17.94 C ATOM 721 O PRO A 95 -19.558 -24.838 2.813 1.00 17.43 O ATOM 722 CB PRO A 95 -17.623 -27.473 2.697 1.00 16.96 C ATOM 723 CG PRO A 95 -16.953 -28.668 3.457 1.00 18.65 C ATOM 724 CD PRO A 95 -17.982 -29.053 4.541 1.00 15.94 C ATOM 0 HA PRO A 95 -18.055 -26.034 4.239 1.00 16.30 H new ATOM 0 HB2 PRO A 95 -18.165 -27.788 1.956 1.00 16.96 H new ATOM 0 HB3 PRO A 95 -16.956 -26.874 2.326 1.00 16.96 H new ATOM 0 HG2 PRO A 95 -16.773 -29.411 2.860 1.00 18.65 H new ATOM 0 HG3 PRO A 95 -16.105 -28.407 3.850 1.00 18.65 H new ATOM 0 HD2 PRO A 95 -18.502 -29.828 4.276 1.00 15.94 H new ATOM 0 HD3 PRO A 95 -17.546 -29.277 5.378 1.00 15.94 H new ATOM 725 N LEU A 96 -20.765 -26.749 2.926 1.00 20.82 N ATOM 726 CA LEU A 96 -22.033 -26.210 2.432 1.00 23.43 C ATOM 727 C LEU A 96 -22.451 -24.917 3.164 1.00 22.39 C ATOM 728 O LEU A 96 -23.010 -23.969 2.593 1.00 22.94 O ATOM 729 CB LEU A 96 -23.107 -27.316 2.621 1.00 26.13 C ATOM 730 CG LEU A 96 -24.518 -27.259 2.081 1.00 29.50 C ATOM 731 CD1 LEU A 96 -24.509 -27.145 0.556 1.00 29.26 C ATOM 732 CD2 LEU A 96 -25.237 -28.537 2.533 1.00 30.40 C ATOM 0 H LEU A 96 -20.796 -27.594 3.085 1.00 20.82 H new ATOM 0 HA LEU A 96 -21.937 -25.967 1.498 1.00 23.43 H new ATOM 0 HB2 LEU A 96 -22.718 -28.129 2.262 1.00 26.13 H new ATOM 0 HB3 LEU A 96 -23.194 -27.442 3.579 1.00 26.13 H new ATOM 0 HG LEU A 96 -24.980 -26.477 2.420 1.00 29.50 H new ATOM 0 HD11 LEU A 96 -25.421 -27.110 0.229 1.00 29.26 H new ATOM 0 HD12 LEU A 96 -24.041 -26.337 0.294 1.00 29.26 H new ATOM 0 HD13 LEU A 96 -24.059 -27.916 0.176 1.00 29.26 H new ATOM 0 HD21 LEU A 96 -26.148 -28.530 2.201 1.00 30.40 H new ATOM 0 HD22 LEU A 96 -24.771 -29.312 2.182 1.00 30.40 H new ATOM 0 HD23 LEU A 96 -25.247 -28.578 3.502 1.00 30.40 H new ATOM 733 N TYR A 97 -22.165 -24.831 4.469 1.00 19.45 N ATOM 734 CA TYR A 97 -22.596 -23.644 5.204 1.00 20.12 C ATOM 735 C TYR A 97 -21.546 -22.556 5.300 1.00 18.75 C ATOM 736 O TYR A 97 -21.801 -21.428 5.706 1.00 19.62 O ATOM 737 CB TYR A 97 -23.139 -24.082 6.587 1.00 20.05 C ATOM 738 CG TYR A 97 -24.395 -24.976 6.492 1.00 19.05 C ATOM 739 CD1 TYR A 97 -25.664 -24.423 6.280 1.00 22.97 C ATOM 740 CD2 TYR A 97 -24.314 -26.352 6.676 1.00 21.86 C ATOM 741 CE1 TYR A 97 -26.801 -25.217 6.208 1.00 24.74 C ATOM 742 CE2 TYR A 97 -25.457 -27.177 6.590 1.00 26.23 C ATOM 743 CZ TYR A 97 -26.694 -26.594 6.357 1.00 25.24 C ATOM 744 OH TYR A 97 -27.822 -27.398 6.307 1.00 28.87 O ATOM 0 H TYR A 97 -21.741 -25.422 4.927 1.00 19.45 H new ATOM 0 HA TYR A 97 -23.308 -23.223 4.698 1.00 20.12 H new ATOM 0 HB2 TYR A 97 -22.443 -24.561 7.064 1.00 20.05 H new ATOM 0 HB3 TYR A 97 -23.350 -23.293 7.110 1.00 20.05 H new ATOM 0 HD1 TYR A 97 -25.747 -23.502 6.185 1.00 22.97 H new ATOM 0 HD2 TYR A 97 -23.488 -26.738 6.860 1.00 21.86 H new ATOM 0 HE1 TYR A 97 -27.633 -24.828 6.060 1.00 24.74 H new ATOM 0 HE2 TYR A 97 -25.381 -28.099 6.688 1.00 26.23 H new ATOM 0 HH TYR A 97 -27.591 -28.199 6.201 1.00 28.87 H new ATOM 745 N GLY A 98 -20.327 -22.878 4.841 1.00 17.47 N ATOM 746 CA GLY A 98 -19.285 -21.858 4.775 1.00 17.76 C ATOM 747 C GLY A 98 -18.838 -21.235 6.108 1.00 14.47 C ATOM 748 O GLY A 98 -18.366 -20.098 6.101 1.00 16.19 O ATOM 0 H GLY A 98 -20.093 -23.660 4.571 1.00 17.47 H new ATOM 0 HA2 GLY A 98 -18.507 -22.248 4.348 1.00 17.76 H new ATOM 0 HA3 GLY A 98 -19.597 -21.144 4.197 1.00 17.76 H new ATOM 749 N LEU A 99 -18.978 -21.997 7.185 1.00 15.55 N ATOM 750 CA LEU A 99 -18.557 -21.489 8.504 1.00 12.68 C ATOM 751 C LEU A 99 -17.049 -21.610 8.694 1.00 13.19 C ATOM 752 O LEU A 99 -16.437 -22.527 8.188 1.00 13.72 O ATOM 753 CB LEU A 99 -19.296 -22.268 9.566 1.00 11.89 C ATOM 754 CG LEU A 99 -20.819 -22.133 9.492 1.00 11.89 C ATOM 755 CD1 LEU A 99 -21.403 -23.020 10.577 1.00 15.38 C ATOM 756 CD2 LEU A 99 -21.252 -20.659 9.620 1.00 13.58 C ATOM 0 H LEU A 99 -19.305 -22.792 7.185 1.00 15.55 H new ATOM 0 HA LEU A 99 -18.772 -20.546 8.571 1.00 12.68 H new ATOM 0 HB2 LEU A 99 -19.060 -23.206 9.489 1.00 11.89 H new ATOM 0 HB3 LEU A 99 -18.996 -21.971 10.439 1.00 11.89 H new ATOM 0 HG LEU A 99 -21.155 -22.422 8.629 1.00 11.89 H new ATOM 0 HD11 LEU A 99 -22.371 -22.959 10.559 1.00 15.38 H new ATOM 0 HD12 LEU A 99 -21.135 -23.939 10.423 1.00 15.38 H new ATOM 0 HD13 LEU A 99 -21.077 -22.729 11.443 1.00 15.38 H new ATOM 0 HD21 LEU A 99 -22.219 -20.600 9.570 1.00 13.58 H new ATOM 0 HD22 LEU A 99 -20.950 -20.306 10.472 1.00 13.58 H new ATOM 0 HD23 LEU A 99 -20.860 -20.142 8.899 1.00 13.58 H new ATOM 757 N PRO A 100 -16.469 -20.712 9.513 1.00 9.93 N ATOM 758 CA PRO A 100 -15.042 -20.921 9.789 1.00 10.14 C ATOM 759 C PRO A 100 -14.773 -22.120 10.703 1.00 9.73 C ATOM 760 O PRO A 100 -15.714 -22.789 11.157 1.00 9.89 O ATOM 761 CB PRO A 100 -14.606 -19.611 10.420 1.00 11.49 C ATOM 762 CG PRO A 100 -15.837 -18.975 10.906 1.00 11.27 C ATOM 763 CD PRO A 100 -16.999 -19.461 10.069 1.00 11.71 C ATOM 0 HA PRO A 100 -14.545 -21.138 8.984 1.00 10.14 H new ATOM 0 HB2 PRO A 100 -13.983 -19.765 11.147 1.00 11.49 H new ATOM 0 HB3 PRO A 100 -14.154 -19.046 9.774 1.00 11.49 H new ATOM 0 HG2 PRO A 100 -15.982 -19.193 11.840 1.00 11.27 H new ATOM 0 HG3 PRO A 100 -15.762 -18.010 10.848 1.00 11.27 H new ATOM 0 HD2 PRO A 100 -17.795 -19.609 10.603 1.00 11.71 H new ATOM 0 HD3 PRO A 100 -17.237 -18.827 9.375 1.00 11.71 H new ATOM 764 N LEU A 101 -13.474 -22.331 10.965 1.00 8.16 N ATOM 765 CA LEU A 101 -13.056 -23.432 11.826 1.00 8.76 C ATOM 766 C LEU A 101 -12.792 -22.939 13.241 1.00 8.56 C ATOM 767 O LEU A 101 -11.771 -22.269 13.490 1.00 9.08 O ATOM 768 CB LEU A 101 -11.750 -24.028 11.274 1.00 10.61 C ATOM 769 CG LEU A 101 -11.928 -24.806 9.965 1.00 9.63 C ATOM 770 CD1 LEU A 101 -10.888 -24.317 8.943 1.00 11.20 C ATOM 771 CD2 LEU A 101 -11.739 -26.312 10.279 1.00 15.56 C ATOM 0 H LEU A 101 -12.831 -21.851 10.655 1.00 8.16 H new ATOM 0 HA LEU A 101 -13.763 -24.096 11.844 1.00 8.76 H new ATOM 0 HB2 LEU A 101 -11.113 -23.311 11.130 1.00 10.61 H new ATOM 0 HB3 LEU A 101 -11.367 -24.618 11.941 1.00 10.61 H new ATOM 0 HG LEU A 101 -12.810 -24.665 9.587 1.00 9.63 H new ATOM 0 HD11 LEU A 101 -10.996 -24.806 8.112 1.00 11.20 H new ATOM 0 HD12 LEU A 101 -11.016 -23.370 8.779 1.00 11.20 H new ATOM 0 HD13 LEU A 101 -9.996 -24.467 9.292 1.00 11.20 H new ATOM 0 HD21 LEU A 101 -11.847 -26.828 9.465 1.00 15.56 H new ATOM 0 HD22 LEU A 101 -10.850 -26.459 10.639 1.00 15.56 H new ATOM 0 HD23 LEU A 101 -12.401 -26.593 10.930 1.00 15.56 H new ATOM 772 N PHE A 102 -13.630 -23.330 14.217 1.00 7.61 N ATOM 773 CA PHE A 102 -13.275 -23.060 15.600 1.00 7.33 C ATOM 774 C PHE A 102 -12.155 -24.053 16.024 1.00 7.10 C ATOM 775 O PHE A 102 -12.274 -25.257 15.803 1.00 7.63 O ATOM 776 CB PHE A 102 -14.454 -23.306 16.526 1.00 8.21 C ATOM 777 CG PHE A 102 -14.057 -23.231 17.995 1.00 6.00 C ATOM 778 CD1 PHE A 102 -13.785 -24.370 18.723 1.00 6.61 C ATOM 779 CD2 PHE A 102 -13.893 -21.964 18.596 1.00 7.37 C ATOM 780 CE1 PHE A 102 -13.374 -24.298 20.086 1.00 8.35 C ATOM 781 CE2 PHE A 102 -13.522 -21.840 19.903 1.00 8.15 C ATOM 782 CZ PHE A 102 -13.198 -22.959 20.658 1.00 9.82 C ATOM 0 H PHE A 102 -14.378 -23.737 14.097 1.00 7.61 H new ATOM 0 HA PHE A 102 -12.993 -22.134 15.665 1.00 7.33 H new ATOM 0 HB2 PHE A 102 -15.147 -22.651 16.346 1.00 8.21 H new ATOM 0 HB3 PHE A 102 -14.833 -24.179 16.339 1.00 8.21 H new ATOM 0 HD1 PHE A 102 -13.871 -25.202 18.317 1.00 6.61 H new ATOM 0 HD2 PHE A 102 -14.041 -21.198 18.090 1.00 7.37 H new ATOM 0 HE1 PHE A 102 -13.224 -25.065 20.590 1.00 8.35 H new ATOM 0 HE2 PHE A 102 -13.486 -20.996 20.293 1.00 8.15 H new ATOM 0 HZ PHE A 102 -12.871 -22.860 21.523 1.00 9.82 H new ATOM 783 N GLY A 103 -11.081 -23.529 16.614 1.00 7.35 N ATOM 784 CA GLY A 103 -10.056 -24.418 17.193 1.00 6.86 C ATOM 785 C GLY A 103 -9.489 -23.892 18.478 1.00 6.98 C ATOM 786 O GLY A 103 -9.394 -22.687 18.628 1.00 7.71 O ATOM 0 H GLY A 103 -10.924 -22.687 16.692 1.00 7.35 H new ATOM 0 HA2 GLY A 103 -10.444 -25.293 17.350 1.00 6.86 H new ATOM 0 HA3 GLY A 103 -9.338 -24.537 16.552 1.00 6.86 H new ATOM 787 N CYS A 104 -9.018 -24.786 19.337 1.00 7.50 N ATOM 788 CA ACYS A 104 -8.395 -24.394 20.620 0.50 8.34 C ATOM 789 CA BCYS A 104 -8.213 -24.303 20.459 0.50 7.54 C ATOM 790 C CYS A 104 -7.308 -25.397 20.943 1.00 8.25 C ATOM 791 O CYS A 104 -7.515 -26.592 20.711 1.00 8.31 O ATOM 792 CB ACYS A 104 -9.467 -24.386 21.764 0.50 10.23 C ATOM 793 CB BCYS A 104 -9.065 -23.709 21.617 0.50 9.18 C ATOM 794 SG ACYS A 104 -8.978 -23.855 23.461 0.50 11.00 S ATOM 795 SG BCYS A 104 -10.142 -24.930 22.305 0.50 7.81 S ATOM 0 H ACYS A 104 -9.045 -25.635 19.204 0.50 7.50 H new ATOM 0 H BCYS A 104 -9.142 -25.636 19.298 0.50 7.50 H new ATOM 0 HA ACYS A 104 -8.021 -23.502 20.547 0.50 7.54 H new ATOM 0 HA BCYS A 104 -7.674 -23.565 20.132 0.50 7.54 H new ATOM 0 HB2ACYS A 104 -10.194 -23.811 21.477 0.50 9.18 H new ATOM 0 HB2BCYS A 104 -8.480 -23.363 22.309 0.50 9.18 H new ATOM 0 HB3ACYS A 104 -9.826 -25.284 21.832 0.50 9.18 H new ATOM 0 HB3BCYS A 104 -9.588 -22.961 21.287 0.50 9.18 H new ATOM 0 HG ACYS A 104 -9.385 -22.745 23.666 0.50 7.81 H new ATOM 0 HG BCYS A 104 -10.783 -24.443 23.195 0.50 7.81 H new ATOM 796 N ASP A 105 -6.189 -24.975 21.517 1.00 8.18 N ATOM 797 CA ASP A 105 -5.181 -25.912 22.000 1.00 7.97 C ATOM 798 C ASP A 105 -4.628 -25.282 23.254 1.00 7.50 C ATOM 799 O ASP A 105 -4.245 -24.045 23.276 1.00 9.15 O ATOM 800 CB ASP A 105 -4.035 -26.100 20.963 1.00 8.24 C ATOM 801 CG ASP A 105 -3.428 -27.433 20.998 1.00 9.50 C ATOM 802 OD1 ASP A 105 -2.169 -27.591 20.974 1.00 11.20 O ATOM 803 OD2 ASP A 105 -4.238 -28.391 20.971 1.00 8.29 O ATOM 0 H ASP A 105 -5.992 -24.146 21.637 1.00 8.18 H new ATOM 0 HA ASP A 105 -5.565 -26.789 22.155 1.00 7.97 H new ATOM 0 HB2 ASP A 105 -4.383 -25.934 20.073 1.00 8.24 H new ATOM 0 HB3 ASP A 105 -3.348 -25.435 21.127 1.00 8.24 H new ATOM 804 N ILE A 106 -4.576 -26.063 24.324 1.00 8.33 N ATOM 805 CA ILE A 106 -4.068 -25.603 25.616 1.00 8.64 C ATOM 806 C ILE A 106 -3.054 -26.607 26.084 1.00 8.50 C ATOM 807 O ILE A 106 -3.300 -27.827 26.023 1.00 9.75 O ATOM 808 CB ILE A 106 -5.149 -25.483 26.724 1.00 8.94 C ATOM 809 CG1 ILE A 106 -6.433 -24.789 26.264 1.00 11.07 C ATOM 810 CG2 ILE A 106 -4.559 -24.719 27.918 1.00 10.75 C ATOM 811 CD1 ILE A 106 -6.242 -23.288 25.964 1.00 13.12 C ATOM 0 H ILE A 106 -4.836 -26.883 24.324 1.00 8.33 H new ATOM 0 HA ILE A 106 -3.706 -24.714 25.477 1.00 8.64 H new ATOM 0 HB ILE A 106 -5.399 -26.388 26.969 1.00 8.94 H new ATOM 0 HG12 ILE A 106 -6.765 -25.232 25.467 1.00 11.07 H new ATOM 0 HG13 ILE A 106 -7.112 -24.892 26.949 1.00 11.07 H new ATOM 0 HG21 ILE A 106 -5.229 -24.640 28.615 1.00 10.75 H new ATOM 0 HG22 ILE A 106 -3.790 -25.200 28.262 1.00 10.75 H new ATOM 0 HG23 ILE A 106 -4.284 -23.834 27.632 1.00 10.75 H new ATOM 0 HD11 ILE A 106 -7.086 -22.905 25.678 1.00 13.12 H new ATOM 0 HD12 ILE A 106 -5.936 -22.834 26.765 1.00 13.12 H new ATOM 0 HD13 ILE A 106 -5.584 -23.180 25.260 1.00 13.12 H new ATOM 812 N VAL A 107 -1.864 -26.111 26.472 1.00 7.47 N ATOM 813 CA VAL A 107 -0.801 -27.006 26.989 1.00 7.56 C ATOM 814 C VAL A 107 -0.382 -26.436 28.348 1.00 7.69 C ATOM 815 O VAL A 107 -0.160 -25.241 28.465 1.00 9.45 O ATOM 816 CB VAL A 107 0.379 -27.125 26.057 1.00 6.88 C ATOM 817 CG1 VAL A 107 1.443 -28.041 26.675 1.00 8.60 C ATOM 818 CG2 VAL A 107 -0.064 -27.631 24.674 1.00 6.63 C ATOM 0 H VAL A 107 -1.653 -25.278 26.446 1.00 7.47 H new ATOM 0 HA VAL A 107 -1.143 -27.910 27.069 1.00 7.56 H new ATOM 0 HB VAL A 107 0.770 -26.246 25.931 1.00 6.88 H new ATOM 0 HG11 VAL A 107 2.199 -28.113 26.071 1.00 8.60 H new ATOM 0 HG12 VAL A 107 1.740 -27.669 27.520 1.00 8.60 H new ATOM 0 HG13 VAL A 107 1.065 -28.921 26.825 1.00 8.60 H new ATOM 0 HG21 VAL A 107 0.709 -27.700 24.092 1.00 6.63 H new ATOM 0 HG22 VAL A 107 -0.478 -28.503 24.766 1.00 6.63 H new ATOM 0 HG23 VAL A 107 -0.702 -27.009 24.291 1.00 6.63 H new ATOM 819 N ALA A 108 -0.337 -27.277 29.370 1.00 8.64 N ATOM 820 CA ALA A 108 0.024 -26.822 30.730 1.00 9.87 C ATOM 821 C ALA A 108 0.980 -27.782 31.398 1.00 10.49 C ATOM 822 O ALA A 108 0.934 -28.983 31.177 1.00 11.93 O ATOM 823 CB ALA A 108 -1.258 -26.687 31.608 1.00 10.05 C ATOM 0 H ALA A 108 -0.510 -28.117 29.310 1.00 8.64 H new ATOM 0 HA ALA A 108 0.460 -25.960 30.644 1.00 9.87 H new ATOM 0 HB1 ALA A 108 -1.011 -26.388 32.497 1.00 10.05 H new ATOM 0 HB2 ALA A 108 -1.859 -26.041 31.206 1.00 10.05 H new ATOM 0 HB3 ALA A 108 -1.702 -27.548 31.668 1.00 10.05 H new ATOM 824 N GLY A 109 1.874 -27.247 32.212 1.00 11.59 N ATOM 825 CA GLY A 109 2.689 -28.116 33.082 1.00 13.52 C ATOM 826 C GLY A 109 2.530 -27.707 34.543 1.00 15.90 C ATOM 827 O GLY A 109 1.662 -26.887 34.899 1.00 15.15 O ATOM 0 H GLY A 109 2.031 -26.405 32.284 1.00 11.59 H new ATOM 0 HA2 GLY A 109 2.420 -29.041 32.968 1.00 13.52 H new ATOM 0 HA3 GLY A 109 3.622 -28.058 32.824 1.00 13.52 H new ATOM 828 N PRO A 110 3.416 -28.225 35.426 1.00 17.48 N ATOM 829 CA PRO A 110 3.355 -27.891 36.843 1.00 20.11 C ATOM 830 C PRO A 110 3.429 -26.418 37.126 1.00 21.40 C ATOM 831 O PRO A 110 2.821 -25.963 38.093 1.00 24.42 O ATOM 832 CB PRO A 110 4.596 -28.609 37.407 1.00 20.25 C ATOM 833 CG PRO A 110 4.842 -29.693 36.492 1.00 18.24 C ATOM 834 CD PRO A 110 4.447 -29.217 35.136 1.00 17.73 C ATOM 0 HA PRO A 110 2.510 -28.160 37.237 1.00 20.11 H new ATOM 0 HB2 PRO A 110 5.357 -28.010 37.456 1.00 20.25 H new ATOM 0 HB3 PRO A 110 4.435 -28.937 38.306 1.00 20.25 H new ATOM 0 HG2 PRO A 110 5.778 -29.949 36.507 1.00 18.24 H new ATOM 0 HG3 PRO A 110 4.329 -30.477 36.743 1.00 18.24 H new ATOM 0 HD2 PRO A 110 5.197 -28.828 34.659 1.00 17.73 H new ATOM 0 HD3 PRO A 110 4.106 -29.940 34.586 1.00 17.73 H new ATOM 835 N GLY A 111 4.135 -25.683 36.294 1.00 20.38 N ATOM 836 CA GLY A 111 4.284 -24.258 36.453 1.00 21.27 C ATOM 837 C GLY A 111 3.086 -23.449 36.006 1.00 20.42 C ATOM 838 O GLY A 111 3.123 -22.221 36.119 1.00 22.82 O ATOM 0 H GLY A 111 4.547 -26.003 35.611 1.00 20.38 H new ATOM 0 HA2 GLY A 111 4.460 -24.065 37.387 1.00 21.27 H new ATOM 0 HA3 GLY A 111 5.062 -23.967 35.951 1.00 21.27 H new ATOM 839 N GLY A 112 2.056 -24.121 35.475 1.00 17.11 N ATOM 840 CA GLY A 112 0.914 -23.392 34.864 1.00 14.96 C ATOM 841 C GLY A 112 0.786 -23.619 33.355 1.00 11.83 C ATOM 842 O GLY A 112 1.536 -24.406 32.761 1.00 13.39 O ATOM 0 H GLY A 112 1.992 -24.978 35.454 1.00 17.11 H new ATOM 0 HA2 GLY A 112 0.092 -23.671 35.297 1.00 14.96 H new ATOM 0 HA3 GLY A 112 1.017 -22.443 35.034 1.00 14.96 H new ATOM 843 N VAL A 113 -0.120 -22.886 32.736 1.00 11.65 N ATOM 844 CA VAL A 113 -0.337 -23.008 31.323 1.00 9.13 C ATOM 845 C VAL A 113 0.832 -22.387 30.564 1.00 9.40 C ATOM 846 O VAL A 113 1.227 -21.230 30.785 1.00 9.70 O ATOM 847 CB VAL A 113 -1.646 -22.249 30.942 1.00 10.23 C ATOM 848 CG1 VAL A 113 -1.911 -22.242 29.427 1.00 10.08 C ATOM 849 CG2 VAL A 113 -2.865 -22.905 31.673 1.00 12.16 C ATOM 0 H VAL A 113 -0.622 -22.307 33.127 1.00 11.65 H new ATOM 0 HA VAL A 113 -0.412 -23.947 31.090 1.00 9.13 H new ATOM 0 HB VAL A 113 -1.531 -21.327 31.222 1.00 10.23 H new ATOM 0 HG11 VAL A 113 -2.733 -21.760 29.244 1.00 10.08 H new ATOM 0 HG12 VAL A 113 -1.173 -21.807 28.971 1.00 10.08 H new ATOM 0 HG13 VAL A 113 -1.994 -23.154 29.109 1.00 10.08 H new ATOM 0 HG21 VAL A 113 -3.678 -22.432 31.435 1.00 12.16 H new ATOM 0 HG22 VAL A 113 -2.942 -23.834 31.405 1.00 12.16 H new ATOM 0 HG23 VAL A 113 -2.732 -22.856 32.633 1.00 12.16 H new ATOM 850 N SER A 114 1.390 -23.163 29.635 1.00 9.09 N ATOM 851 CA SER A 114 2.461 -22.646 28.788 1.00 9.91 C ATOM 852 C SER A 114 1.960 -22.074 27.474 1.00 9.18 C ATOM 853 O SER A 114 2.520 -21.071 26.979 1.00 9.07 O ATOM 854 CB SER A 114 3.482 -23.775 28.539 1.00 10.26 C ATOM 855 OG SER A 114 2.928 -24.816 27.756 1.00 12.16 O ATOM 0 H SER A 114 1.166 -23.979 29.481 1.00 9.09 H new ATOM 0 HA SER A 114 2.880 -21.906 29.254 1.00 9.91 H new ATOM 0 HB2 SER A 114 4.263 -23.413 28.091 1.00 10.26 H new ATOM 0 HB3 SER A 114 3.783 -24.133 29.389 1.00 10.26 H new ATOM 0 HG SER A 114 3.206 -24.751 26.966 1.00 12.16 H new ATOM 856 N ALA A 115 0.857 -22.646 26.936 1.00 8.26 N ATOM 857 CA ALA A 115 0.341 -22.186 25.642 1.00 7.35 C ATOM 858 C ALA A 115 -1.131 -22.201 25.692 1.00 7.42 C ATOM 859 O ALA A 115 -1.748 -23.218 26.096 1.00 8.48 O ATOM 860 CB ALA A 115 0.782 -23.089 24.480 1.00 8.73 C ATOM 0 H ALA A 115 0.410 -23.284 27.300 1.00 8.26 H new ATOM 0 HA ALA A 115 0.693 -21.296 25.486 1.00 7.35 H new ATOM 0 HB1 ALA A 115 0.418 -22.747 23.648 1.00 8.73 H new ATOM 0 HB2 ALA A 115 1.751 -23.101 24.429 1.00 8.73 H new ATOM 0 HB3 ALA A 115 0.456 -23.990 24.629 1.00 8.73 H new ATOM 861 N ALA A 116 -1.761 -21.092 25.284 1.00 7.75 N ATOM 862 CA ALA A 116 -3.197 -21.097 25.103 1.00 6.71 C ATOM 863 C ALA A 116 -3.503 -20.443 23.769 1.00 7.89 C ATOM 864 O ALA A 116 -3.129 -19.273 23.507 1.00 8.09 O ATOM 865 CB ALA A 116 -3.840 -20.304 26.260 1.00 7.09 C ATOM 0 H ALA A 116 -1.374 -20.344 25.112 1.00 7.75 H new ATOM 0 HA ALA A 116 -3.553 -21.999 25.107 1.00 6.71 H new ATOM 0 HB1 ALA A 116 -4.804 -20.298 26.152 1.00 7.09 H new ATOM 0 HB2 ALA A 116 -3.612 -20.722 27.105 1.00 7.09 H new ATOM 0 HB3 ALA A 116 -3.509 -19.392 26.251 1.00 7.09 H new ATOM 866 N ILE A 117 -4.125 -21.229 22.907 1.00 7.28 N ATOM 867 CA ILE A 117 -4.369 -20.849 21.524 1.00 8.30 C ATOM 868 C ILE A 117 -5.854 -21.018 21.225 1.00 6.98 C ATOM 869 O ILE A 117 -6.439 -22.018 21.571 1.00 7.60 O ATOM 870 CB ILE A 117 -3.570 -21.750 20.522 1.00 7.38 C ATOM 871 CG1 ILE A 117 -2.076 -21.566 20.682 1.00 12.84 C ATOM 872 CG2 ILE A 117 -3.954 -21.346 19.117 1.00 12.18 C ATOM 873 CD1 ILE A 117 -1.317 -22.727 21.354 1.00 13.45 C ATOM 0 H ILE A 117 -4.422 -22.010 23.110 1.00 7.28 H new ATOM 0 HA ILE A 117 -4.081 -19.929 21.413 1.00 8.30 H new ATOM 0 HB ILE A 117 -3.785 -22.679 20.700 1.00 7.38 H new ATOM 0 HG12 ILE A 117 -1.691 -21.417 19.804 1.00 12.84 H new ATOM 0 HG13 ILE A 117 -1.921 -20.760 21.200 1.00 12.84 H new ATOM 0 HG21 ILE A 117 -3.469 -21.893 18.479 1.00 12.18 H new ATOM 0 HG22 ILE A 117 -4.908 -21.473 18.993 1.00 12.18 H new ATOM 0 HG23 ILE A 117 -3.732 -20.412 18.976 1.00 12.18 H new ATOM 0 HD11 ILE A 117 -0.373 -22.509 21.407 1.00 13.45 H new ATOM 0 HD12 ILE A 117 -1.667 -22.868 22.248 1.00 13.45 H new ATOM 0 HD13 ILE A 117 -1.433 -23.535 20.831 1.00 13.45 H new ATOM 874 N ALA A 118 -6.495 -20.019 20.623 1.00 8.34 N ATOM 875 CA ALA A 118 -7.879 -20.235 20.190 1.00 7.60 C ATOM 876 C ALA A 118 -8.095 -19.363 18.983 1.00 7.31 C ATOM 877 O ALA A 118 -7.547 -18.260 18.899 1.00 7.61 O ATOM 878 CB ALA A 118 -8.882 -19.781 21.288 1.00 9.58 C ATOM 0 H ALA A 118 -6.167 -19.241 20.460 1.00 8.34 H new ATOM 0 HA ALA A 118 -8.023 -21.176 20.006 1.00 7.60 H new ATOM 0 HB1 ALA A 118 -9.789 -19.933 20.980 1.00 9.58 H new ATOM 0 HB2 ALA A 118 -8.727 -20.290 22.099 1.00 9.58 H new ATOM 0 HB3 ALA A 118 -8.757 -18.837 21.470 1.00 9.58 H new ATOM 879 N ASP A 119 -8.949 -19.822 18.056 1.00 8.23 N ATOM 880 CA ASP A 119 -9.221 -19.018 16.863 1.00 7.29 C ATOM 881 C ASP A 119 -10.538 -19.427 16.221 1.00 7.78 C ATOM 882 O ASP A 119 -11.054 -20.533 16.466 1.00 7.51 O ATOM 883 CB ASP A 119 -8.142 -19.235 15.813 1.00 8.52 C ATOM 884 CG ASP A 119 -8.186 -18.217 14.711 1.00 7.69 C ATOM 885 OD1 ASP A 119 -7.816 -18.605 13.581 1.00 8.76 O ATOM 886 OD2 ASP A 119 -8.547 -17.026 14.935 1.00 8.38 O ATOM 0 H ASP A 119 -9.367 -20.572 18.099 1.00 8.23 H new ATOM 0 HA ASP A 119 -9.249 -18.092 17.150 1.00 7.29 H new ATOM 0 HB2 ASP A 119 -7.271 -19.206 16.240 1.00 8.52 H new ATOM 0 HB3 ASP A 119 -8.241 -20.122 15.432 1.00 8.52 H new ATOM 887 N LEU A 120 -11.060 -18.548 15.384 1.00 7.49 N ATOM 888 CA LEU A 120 -12.047 -18.895 14.367 1.00 6.85 C ATOM 889 C LEU A 120 -11.303 -18.667 13.067 1.00 8.70 C ATOM 890 O LEU A 120 -11.027 -17.524 12.720 1.00 9.61 O ATOM 891 CB LEU A 120 -13.319 -18.022 14.479 1.00 7.80 C ATOM 892 CG LEU A 120 -14.187 -18.403 15.687 1.00 6.64 C ATOM 893 CD1 LEU A 120 -15.056 -17.201 16.040 1.00 10.43 C ATOM 894 CD2 LEU A 120 -15.069 -19.623 15.449 1.00 10.19 C ATOM 0 H LEU A 120 -10.849 -17.714 15.388 1.00 7.49 H new ATOM 0 HA LEU A 120 -12.376 -19.804 14.451 1.00 6.85 H new ATOM 0 HB2 LEU A 120 -13.063 -17.089 14.550 1.00 7.80 H new ATOM 0 HB3 LEU A 120 -13.842 -18.112 13.667 1.00 7.80 H new ATOM 0 HG LEU A 120 -13.591 -18.644 16.413 1.00 6.64 H new ATOM 0 HD11 LEU A 120 -15.615 -17.418 16.803 1.00 10.43 H new ATOM 0 HD12 LEU A 120 -14.489 -16.445 16.260 1.00 10.43 H new ATOM 0 HD13 LEU A 120 -15.618 -16.974 15.282 1.00 10.43 H new ATOM 0 HD21 LEU A 120 -15.588 -19.808 16.247 1.00 10.19 H new ATOM 0 HD22 LEU A 120 -15.669 -19.449 14.707 1.00 10.19 H new ATOM 0 HD23 LEU A 120 -14.512 -20.390 15.241 1.00 10.19 H new ATOM 895 N SER A 121 -10.918 -19.757 12.387 1.00 8.84 N ATOM 896 CA SER A 121 -9.965 -19.659 11.271 1.00 8.83 C ATOM 897 C SER A 121 -10.714 -19.693 9.947 1.00 8.24 C ATOM 898 O SER A 121 -11.700 -20.417 9.769 1.00 9.33 O ATOM 899 CB SER A 121 -9.042 -20.876 11.300 1.00 8.68 C ATOM 900 OG SER A 121 -8.352 -21.024 12.585 1.00 8.65 O ATOM 0 H SER A 121 -11.194 -20.554 12.554 1.00 8.84 H new ATOM 0 HA SER A 121 -9.465 -18.832 11.357 1.00 8.83 H new ATOM 0 HB2 SER A 121 -9.560 -21.676 11.120 1.00 8.68 H new ATOM 0 HB3 SER A 121 -8.385 -20.798 10.590 1.00 8.68 H new ATOM 0 HG SER A 121 -8.084 -20.272 12.848 1.00 8.65 H new ATOM 901 N PRO A 122 -10.213 -18.920 8.974 1.00 10.11 N ATOM 902 CA PRO A 122 -10.941 -18.763 7.674 1.00 11.50 C ATOM 903 C PRO A 122 -10.889 -20.002 6.792 1.00 13.17 C ATOM 904 O PRO A 122 -9.995 -20.843 6.874 1.00 12.93 O ATOM 905 CB PRO A 122 -10.154 -17.642 6.971 1.00 12.27 C ATOM 906 CG PRO A 122 -8.849 -17.556 7.617 1.00 13.31 C ATOM 907 CD PRO A 122 -9.055 -18.010 9.091 1.00 11.21 C ATOM 0 HA PRO A 122 -11.883 -18.589 7.828 1.00 11.50 H new ATOM 0 HB2 PRO A 122 -10.055 -17.835 6.025 1.00 12.27 H new ATOM 0 HB3 PRO A 122 -10.626 -16.798 7.041 1.00 12.27 H new ATOM 0 HG2 PRO A 122 -8.203 -18.124 7.168 1.00 13.31 H new ATOM 0 HG3 PRO A 122 -8.504 -16.650 7.580 1.00 13.31 H new ATOM 0 HD2 PRO A 122 -8.273 -18.462 9.444 1.00 11.21 H new ATOM 0 HD3 PRO A 122 -9.240 -17.261 9.679 1.00 11.21 H new ATOM 908 N THR A 123 -11.910 -20.111 5.975 1.00 10.39 N ATOM 909 CA THR A 123 -11.986 -21.120 4.943 1.00 11.33 C ATOM 910 C THR A 123 -12.179 -20.489 3.585 1.00 12.14 C ATOM 911 O THR A 123 -12.016 -21.203 2.616 1.00 14.26 O ATOM 912 CB THR A 123 -13.109 -22.126 5.187 1.00 11.57 C ATOM 913 OG1 THR A 123 -14.352 -21.437 5.353 1.00 12.55 O ATOM 914 CG2 THR A 123 -12.793 -22.938 6.485 1.00 13.71 C ATOM 0 H THR A 123 -12.594 -19.591 6.003 1.00 10.39 H new ATOM 0 HA THR A 123 -11.142 -21.597 4.970 1.00 11.33 H new ATOM 0 HB THR A 123 -13.175 -22.726 4.427 1.00 11.57 H new ATOM 0 HG1 THR A 123 -14.393 -21.115 6.128 1.00 12.55 H new ATOM 0 HG21 THR A 123 -13.503 -23.579 6.646 1.00 13.71 H new ATOM 0 HG22 THR A 123 -11.951 -23.408 6.376 1.00 13.71 H new ATOM 0 HG23 THR A 123 -12.729 -22.331 7.239 1.00 13.71 H new ATOM 915 N GLN A 124 -12.437 -19.188 3.525 1.00 13.12 N ATOM 916 CA GLN A 124 -12.581 -18.494 2.232 1.00 13.78 C ATOM 917 C GLN A 124 -11.228 -18.398 1.522 1.00 14.93 C ATOM 918 O GLN A 124 -10.187 -18.304 2.159 1.00 15.11 O ATOM 919 CB GLN A 124 -13.135 -17.079 2.456 1.00 13.41 C ATOM 920 CG GLN A 124 -14.611 -17.070 2.784 1.00 18.26 C ATOM 921 CD GLN A 124 -15.142 -15.668 3.088 1.00 20.35 C ATOM 922 OE1 GLN A 124 -14.447 -14.643 2.880 1.00 22.38 O ATOM 923 NE2 GLN A 124 -16.356 -15.609 3.586 1.00 18.69 N ATOM 0 H GLN A 124 -12.534 -18.683 4.214 1.00 13.12 H new ATOM 0 HA GLN A 124 -13.195 -19.002 1.679 1.00 13.78 H new ATOM 0 HB2 GLN A 124 -12.645 -16.656 3.178 1.00 13.41 H new ATOM 0 HB3 GLN A 124 -12.982 -16.547 1.659 1.00 13.41 H new ATOM 0 HG2 GLN A 124 -15.106 -17.444 2.038 1.00 18.26 H new ATOM 0 HG3 GLN A 124 -14.772 -17.645 3.548 1.00 18.26 H new ATOM 0 HE21 GLN A 124 -16.803 -16.332 3.715 1.00 18.69 H new ATOM 0 HE22 GLN A 124 -16.704 -14.847 3.783 1.00 18.69 H new ATOM 924 N SER A 125 -11.266 -18.334 0.195 1.00 16.40 N ATOM 925 CA SER A 125 -10.005 -18.203 -0.570 1.00 17.48 C ATOM 926 C SER A 125 -9.269 -16.891 -0.326 1.00 17.03 C ATOM 927 O SER A 125 -8.042 -16.854 -0.442 1.00 18.04 O ATOM 928 CB SER A 125 -10.284 -18.419 -2.059 1.00 16.00 C ATOM 929 OG SER A 125 -11.063 -17.347 -2.536 1.00 23.26 O ATOM 0 H SER A 125 -11.983 -18.363 -0.279 1.00 16.40 H new ATOM 0 HA SER A 125 -9.404 -18.892 -0.247 1.00 17.48 H new ATOM 0 HB2 SER A 125 -9.451 -18.474 -2.552 1.00 16.00 H new ATOM 0 HB3 SER A 125 -10.750 -19.259 -2.195 1.00 16.00 H new ATOM 0 HG SER A 125 -11.864 -17.460 -2.310 1.00 23.26 H new ATOM 930 N ASP A 126 -10.012 -15.839 0.039 1.00 17.94 N ATOM 931 CA ASP A 126 -9.418 -14.562 0.415 1.00 17.80 C ATOM 932 C ASP A 126 -8.821 -14.523 1.813 1.00 18.27 C ATOM 933 O ASP A 126 -8.252 -13.518 2.192 1.00 19.29 O ATOM 934 CB ASP A 126 -10.391 -13.380 0.173 1.00 20.09 C ATOM 935 CG ASP A 126 -11.596 -13.421 1.077 1.00 19.56 C ATOM 936 OD1 ASP A 126 -12.504 -12.589 0.914 1.00 25.53 O ATOM 937 OD2 ASP A 126 -11.650 -14.296 1.958 1.00 19.20 O ATOM 0 H ASP A 126 -10.871 -15.851 0.074 1.00 17.94 H new ATOM 0 HA ASP A 126 -8.660 -14.458 -0.181 1.00 17.80 H new ATOM 0 HB2 ASP A 126 -9.918 -12.544 0.309 1.00 20.09 H new ATOM 0 HB3 ASP A 126 -10.685 -13.392 -0.751 1.00 20.09 H new ATOM 938 N ARG A 127 -8.903 -15.647 2.530 1.00 16.72 N ATOM 939 CA ARG A 127 -8.330 -15.772 3.884 1.00 17.15 C ATOM 940 C ARG A 127 -8.992 -14.845 4.906 1.00 17.04 C ATOM 941 O ARG A 127 -8.414 -14.541 5.945 1.00 17.27 O ATOM 942 CB ARG A 127 -6.770 -15.635 3.867 1.00 17.68 C ATOM 943 CG ARG A 127 -6.103 -16.623 2.897 1.00 21.47 C ATOM 944 CD ARG A 127 -4.609 -16.409 2.654 1.00 27.37 C ATOM 945 NE ARG A 127 -3.831 -16.781 3.829 1.00 33.85 N ATOM 946 CZ ARG A 127 -3.121 -15.908 4.533 1.00 35.46 C ATOM 947 NH1 ARG A 127 -2.426 -16.306 5.589 1.00 35.64 N ATOM 948 NH2 ARG A 127 -3.095 -14.629 4.158 1.00 36.82 N ATOM 0 H ARG A 127 -9.292 -16.361 2.249 1.00 16.72 H new ATOM 0 HA ARG A 127 -8.533 -16.671 4.185 1.00 17.15 H new ATOM 0 HB2 ARG A 127 -6.531 -14.729 3.617 1.00 17.68 H new ATOM 0 HB3 ARG A 127 -6.426 -15.782 4.762 1.00 17.68 H new ATOM 0 HG2 ARG A 127 -6.233 -17.522 3.237 1.00 21.47 H new ATOM 0 HG3 ARG A 127 -6.563 -16.573 2.044 1.00 21.47 H new ATOM 0 HD2 ARG A 127 -4.323 -16.937 1.892 1.00 27.37 H new ATOM 0 HD3 ARG A 127 -4.444 -15.479 2.433 1.00 27.37 H new ATOM 0 HE ARG A 127 -3.832 -17.604 4.078 1.00 33.85 H new ATOM 0 HH11 ARG A 127 -2.433 -17.134 5.821 1.00 35.64 H new ATOM 0 HH12 ARG A 127 -1.968 -15.736 6.042 1.00 35.64 H new ATOM 0 HH21 ARG A 127 -3.536 -14.375 3.465 1.00 36.82 H new ATOM 0 HH22 ARG A 127 -2.637 -14.058 4.609 1.00 36.82 H new ATOM 949 N GLN A 128 -10.200 -14.383 4.587 1.00 17.09 N ATOM 950 CA AGLN A 128 -10.977 -13.525 5.477 0.50 16.66 C ATOM 951 CA BGLN A 128 -10.950 -13.536 5.493 0.50 16.55 C ATOM 952 C GLN A 128 -12.100 -14.324 6.113 1.00 15.92 C ATOM 953 O GLN A 128 -12.649 -15.220 5.498 1.00 13.95 O ATOM 954 CB AGLN A 128 -11.596 -12.358 4.714 0.50 17.18 C ATOM 955 CB BGLN A 128 -11.485 -12.325 4.744 0.50 17.10 C ATOM 956 CG AGLN A 128 -10.575 -11.377 4.141 0.50 19.84 C ATOM 957 CG BGLN A 128 -10.391 -11.523 4.001 0.50 18.94 C ATOM 958 CD AGLN A 128 -10.830 -9.943 4.565 0.50 24.84 C ATOM 959 CD BGLN A 128 -9.296 -10.990 4.924 0.50 21.75 C ATOM 960 OE1AGLN A 128 -11.940 -9.424 4.425 0.50 25.25 O ATOM 961 OE1BGLN A 128 -9.589 -10.385 5.947 0.50 22.78 O ATOM 962 NE2AGLN A 128 -9.787 -9.284 5.079 0.50 26.50 N ATOM 963 NE2BGLN A 128 -8.026 -11.200 4.549 0.50 24.70 N ATOM 0 H AGLN A 128 -10.593 -14.560 3.843 0.50 17.09 H new ATOM 0 H BGLN A 128 -10.600 -14.553 3.845 0.50 17.09 H new ATOM 0 HA AGLN A 128 -10.374 -13.182 6.155 0.50 16.55 H new ATOM 0 HA BGLN A 128 -10.363 -13.232 6.203 0.50 16.55 H new ATOM 0 HB2AGLN A 128 -12.136 -12.708 3.989 0.50 17.10 H new ATOM 0 HB2BGLN A 128 -12.151 -12.619 4.103 0.50 17.10 H new ATOM 0 HB3AGLN A 128 -12.195 -11.877 5.307 0.50 17.10 H new ATOM 0 HB3BGLN A 128 -11.935 -11.739 5.372 0.50 17.10 H new ATOM 0 HG2AGLN A 128 -9.686 -11.640 4.426 0.50 18.94 H new ATOM 0 HG2BGLN A 128 -9.987 -12.089 3.325 0.50 18.94 H new ATOM 0 HG3AGLN A 128 -10.590 -11.430 3.173 0.50 18.94 H new ATOM 0 HG3BGLN A 128 -10.804 -10.778 3.537 0.50 18.94 H new ATOM 0 HE21AGLN A 128 -9.027 -9.679 5.162 0.50 24.70 H new ATOM 0 HE21BGLN A 128 -7.857 -11.630 3.823 0.50 24.70 H new ATOM 0 HE22AGLN A 128 -9.876 -8.465 5.327 0.50 24.70 H new ATOM 0 HE22BGLN A 128 -7.380 -10.905 5.034 0.50 24.70 H new ATOM 964 N LEU A 129 -12.466 -13.960 7.341 1.00 15.03 N ATOM 965 CA LEU A 129 -13.687 -14.480 7.947 1.00 15.29 C ATOM 966 C LEU A 129 -14.880 -13.906 7.237 1.00 15.81 C ATOM 967 O LEU A 129 -14.791 -12.816 6.634 1.00 17.28 O ATOM 968 CB LEU A 129 -13.741 -14.109 9.431 1.00 14.55 C ATOM 969 CG LEU A 129 -12.671 -14.879 10.209 1.00 13.56 C ATOM 970 CD1 LEU A 129 -12.559 -14.342 11.635 1.00 12.77 C ATOM 971 CD2 LEU A 129 -12.809 -16.421 10.191 1.00 13.59 C ATOM 0 H LEU A 129 -12.022 -13.415 7.837 1.00 15.03 H new ATOM 0 HA LEU A 129 -13.694 -15.447 7.867 1.00 15.29 H new ATOM 0 HB2 LEU A 129 -13.604 -13.155 9.538 1.00 14.55 H new ATOM 0 HB3 LEU A 129 -14.619 -14.311 9.790 1.00 14.55 H new ATOM 0 HG LEU A 129 -11.843 -14.715 9.730 1.00 13.56 H new ATOM 0 HD11 LEU A 129 -11.878 -14.839 12.115 1.00 12.77 H new ATOM 0 HD12 LEU A 129 -12.316 -13.403 11.609 1.00 12.77 H new ATOM 0 HD13 LEU A 129 -13.411 -14.443 12.087 1.00 12.77 H new ATOM 0 HD21 LEU A 129 -12.090 -16.817 10.708 1.00 13.59 H new ATOM 0 HD22 LEU A 129 -13.662 -16.674 10.578 1.00 13.59 H new ATOM 0 HD23 LEU A 129 -12.762 -16.740 9.276 1.00 13.59 H new ATOM 972 N PRO A 130 -16.029 -14.620 7.297 1.00 15.44 N ATOM 973 CA PRO A 130 -17.226 -13.988 6.707 1.00 15.38 C ATOM 974 C PRO A 130 -17.516 -12.657 7.409 1.00 15.58 C ATOM 975 O PRO A 130 -17.163 -12.453 8.602 1.00 16.69 O ATOM 976 CB PRO A 130 -18.355 -15.003 6.984 1.00 14.41 C ATOM 977 CG PRO A 130 -17.601 -16.356 7.126 1.00 17.21 C ATOM 978 CD PRO A 130 -16.320 -15.949 7.862 1.00 16.29 C ATOM 0 HA PRO A 130 -17.126 -13.790 5.763 1.00 15.38 H new ATOM 0 HB2 PRO A 130 -18.845 -14.781 7.791 1.00 14.41 H new ATOM 0 HB3 PRO A 130 -18.999 -15.027 6.259 1.00 14.41 H new ATOM 0 HG2 PRO A 130 -18.116 -17.005 7.630 1.00 17.21 H new ATOM 0 HG3 PRO A 130 -17.410 -16.755 6.263 1.00 17.21 H new ATOM 0 HD2 PRO A 130 -16.453 -15.911 8.822 1.00 16.29 H new ATOM 0 HD3 PRO A 130 -15.597 -16.575 7.700 1.00 16.29 H new ATOM 979 N ALA A 131 -18.208 -11.750 6.698 1.00 17.82 N ATOM 980 CA ALA A 131 -18.478 -10.447 7.173 1.00 17.40 C ATOM 981 C ALA A 131 -19.121 -10.414 8.569 1.00 16.95 C ATOM 982 O ALA A 131 -18.731 -9.615 9.402 1.00 19.51 O ATOM 983 CB ALA A 131 -19.457 -9.775 6.180 1.00 18.97 C ATOM 0 H ALA A 131 -18.527 -11.907 5.915 1.00 17.82 H new ATOM 0 HA ALA A 131 -17.628 -9.985 7.242 1.00 17.40 H new ATOM 0 HB1 ALA A 131 -19.660 -8.876 6.483 1.00 18.97 H new ATOM 0 HB2 ALA A 131 -19.049 -9.735 5.301 1.00 18.97 H new ATOM 0 HB3 ALA A 131 -20.276 -10.292 6.133 1.00 18.97 H new ATOM 984 N ALA A 132 -20.093 -11.270 8.807 1.00 17.59 N ATOM 985 CA ALA A 132 -20.776 -11.225 10.113 1.00 17.48 C ATOM 986 C ALA A 132 -19.865 -11.603 11.303 1.00 16.33 C ATOM 987 O ALA A 132 -19.994 -11.074 12.409 1.00 17.38 O ATOM 988 CB ALA A 132 -21.987 -12.109 10.102 1.00 18.92 C ATOM 0 H ALA A 132 -20.375 -11.869 8.258 1.00 17.59 H new ATOM 0 HA ALA A 132 -21.038 -10.300 10.245 1.00 17.48 H new ATOM 0 HB1 ALA A 132 -22.425 -12.069 10.967 1.00 18.92 H new ATOM 0 HB2 ALA A 132 -22.601 -11.808 9.414 1.00 18.92 H new ATOM 0 HB3 ALA A 132 -21.719 -13.023 9.918 1.00 18.92 H new ATOM 989 N TYR A 133 -18.902 -12.485 11.046 1.00 15.01 N ATOM 990 CA TYR A 133 -17.894 -12.797 12.063 1.00 14.61 C ATOM 991 C TYR A 133 -16.978 -11.625 12.297 1.00 15.13 C ATOM 992 O TYR A 133 -16.601 -11.340 13.431 1.00 15.80 O ATOM 993 CB TYR A 133 -17.040 -14.007 11.651 1.00 13.27 C ATOM 994 CG TYR A 133 -17.707 -15.349 11.850 1.00 13.73 C ATOM 995 CD1 TYR A 133 -18.628 -15.863 10.919 1.00 12.57 C ATOM 996 CD2 TYR A 133 -17.442 -16.096 13.002 1.00 11.20 C ATOM 997 CE1 TYR A 133 -19.209 -17.136 11.094 1.00 10.99 C ATOM 998 CE2 TYR A 133 -18.028 -17.332 13.206 1.00 10.67 C ATOM 999 CZ TYR A 133 -18.907 -17.843 12.270 1.00 11.17 C ATOM 1000 OH TYR A 133 -19.471 -19.073 12.418 1.00 10.57 O ATOM 0 H TYR A 133 -18.813 -12.909 10.303 1.00 15.01 H new ATOM 0 HA TYR A 133 -18.376 -13.004 12.879 1.00 14.61 H new ATOM 0 HB2 TYR A 133 -16.800 -13.914 10.716 1.00 13.27 H new ATOM 0 HB3 TYR A 133 -16.214 -13.992 12.159 1.00 13.27 H new ATOM 0 HD1 TYR A 133 -18.858 -15.354 10.175 1.00 12.57 H new ATOM 0 HD2 TYR A 133 -16.861 -15.755 13.643 1.00 11.20 H new ATOM 0 HE1 TYR A 133 -19.775 -17.497 10.450 1.00 10.99 H new ATOM 0 HE2 TYR A 133 -17.831 -17.819 13.973 1.00 10.67 H new ATOM 0 HH TYR A 133 -18.963 -19.561 12.875 1.00 10.57 H new ATOM 1001 N GLN A 134 -16.569 -10.975 11.213 1.00 16.60 N ATOM 1002 CA GLN A 134 -15.714 -9.807 11.404 1.00 19.28 C ATOM 1003 C GLN A 134 -16.439 -8.756 12.250 1.00 19.33 C ATOM 1004 O GLN A 134 -15.845 -8.206 13.187 1.00 22.36 O ATOM 1005 CB GLN A 134 -15.279 -9.195 10.084 1.00 20.15 C ATOM 1006 CG GLN A 134 -14.399 -10.115 9.282 1.00 20.21 C ATOM 1007 CD GLN A 134 -13.907 -9.474 8.002 1.00 23.40 C ATOM 1008 OE1 GLN A 134 -13.558 -8.189 8.073 1.00 27.74 O flip ATOM 1009 NE2 GLN A 134 -13.817 -10.124 6.968 1.00 28.35 N flip ATOM 0 H GLN A 134 -16.761 -11.178 10.400 1.00 16.60 H new ATOM 0 HA GLN A 134 -14.916 -10.106 11.867 1.00 19.28 H new ATOM 0 HB2 GLN A 134 -16.065 -8.968 9.562 1.00 20.15 H new ATOM 0 HB3 GLN A 134 -14.804 -8.367 10.256 1.00 20.15 H new ATOM 0 HG2 GLN A 134 -13.638 -10.381 9.821 1.00 20.21 H new ATOM 0 HG3 GLN A 134 -14.891 -10.923 9.068 1.00 20.21 H new ATOM 0 HE21 GLN A 134 -14.051 -10.951 6.958 1.00 28.35 H new ATOM 0 HE22 GLN A 134 -13.519 -9.753 6.251 1.00 28.35 H new ATOM 1010 N LYS A 135 -17.689 -8.479 11.951 1.00 20.39 N ATOM 1011 CA LYS A 135 -18.404 -7.491 12.714 1.00 22.37 C ATOM 1012 C LYS A 135 -18.515 -7.898 14.177 1.00 22.46 C ATOM 1013 O LYS A 135 -18.242 -7.114 15.084 1.00 23.28 O ATOM 1014 CB LYS A 135 -19.796 -7.323 12.139 1.00 23.39 C ATOM 1015 CG LYS A 135 -20.534 -6.216 12.823 1.00 26.84 C ATOM 1016 CD LYS A 135 -21.769 -5.845 12.037 1.00 32.46 C ATOM 1017 CE LYS A 135 -22.100 -4.366 12.202 1.00 32.21 C ATOM 1018 NZ LYS A 135 -23.260 -4.026 11.332 1.00 34.86 N ATOM 0 H LYS A 135 -18.137 -8.848 11.316 1.00 20.39 H new ATOM 0 HA LYS A 135 -17.914 -6.655 12.663 1.00 22.37 H new ATOM 0 HB2 LYS A 135 -19.736 -7.136 11.189 1.00 23.39 H new ATOM 0 HB3 LYS A 135 -20.290 -8.152 12.235 1.00 23.39 H new ATOM 0 HG2 LYS A 135 -20.784 -6.491 13.719 1.00 26.84 H new ATOM 0 HG3 LYS A 135 -19.957 -5.442 12.914 1.00 26.84 H new ATOM 0 HD2 LYS A 135 -21.631 -6.046 11.098 1.00 32.46 H new ATOM 0 HD3 LYS A 135 -22.519 -6.383 12.335 1.00 32.46 H new ATOM 0 HE2 LYS A 135 -22.309 -4.171 13.129 1.00 32.21 H new ATOM 0 HE3 LYS A 135 -21.333 -3.823 11.964 1.00 32.21 H new ATOM 0 HZ1 LYS A 135 -23.458 -3.163 11.424 1.00 34.86 H new ATOM 0 HZ2 LYS A 135 -23.053 -4.193 10.483 1.00 34.86 H new ATOM 0 HZ3 LYS A 135 -23.963 -4.518 11.568 1.00 34.86 H new ATOM 1019 N SER A 136 -18.887 -9.159 14.424 1.00 20.85 N ATOM 1020 CA SER A 136 -19.077 -9.560 15.808 1.00 19.80 C ATOM 1021 C SER A 136 -17.786 -9.642 16.588 1.00 19.27 C ATOM 1022 O SER A 136 -17.750 -9.316 17.786 1.00 20.39 O ATOM 1023 CB SER A 136 -19.817 -10.907 15.870 1.00 20.41 C ATOM 1024 OG SER A 136 -21.203 -10.766 15.520 1.00 21.83 O ATOM 0 H SER A 136 -19.027 -9.767 13.832 1.00 20.85 H new ATOM 0 HA SER A 136 -19.611 -8.867 16.227 1.00 19.80 H new ATOM 0 HB2 SER A 136 -19.393 -11.538 15.267 1.00 20.41 H new ATOM 0 HB3 SER A 136 -19.744 -11.276 16.764 1.00 20.41 H new ATOM 0 HG SER A 136 -21.299 -10.895 14.696 1.00 21.83 H new ATOM 1025 N LEU A 137 -16.702 -10.110 15.958 1.00 18.40 N ATOM 1026 CA LEU A 137 -15.430 -10.198 16.639 1.00 19.07 C ATOM 1027 C LEU A 137 -14.833 -8.848 17.016 1.00 21.12 C ATOM 1028 O LEU A 137 -14.282 -8.733 18.113 1.00 21.12 O ATOM 1029 CB LEU A 137 -14.434 -11.009 15.801 1.00 17.05 C ATOM 1030 CG LEU A 137 -14.818 -12.487 15.802 1.00 17.01 C ATOM 1031 CD1 LEU A 137 -14.067 -13.265 14.683 1.00 14.86 C ATOM 1032 CD2 LEU A 137 -14.535 -13.143 17.169 1.00 14.89 C ATOM 0 H LEU A 137 -16.693 -10.378 15.141 1.00 18.40 H new ATOM 0 HA LEU A 137 -15.606 -10.653 17.477 1.00 19.07 H new ATOM 0 HB2 LEU A 137 -14.419 -10.673 14.891 1.00 17.05 H new ATOM 0 HB3 LEU A 137 -13.539 -10.901 16.158 1.00 17.05 H new ATOM 0 HG LEU A 137 -15.771 -12.531 15.629 1.00 17.01 H new ATOM 0 HD11 LEU A 137 -14.329 -14.199 14.706 1.00 14.86 H new ATOM 0 HD12 LEU A 137 -14.293 -12.888 13.819 1.00 14.86 H new ATOM 0 HD13 LEU A 137 -13.110 -13.194 14.826 1.00 14.86 H new ATOM 0 HD21 LEU A 137 -14.789 -14.079 17.138 1.00 14.89 H new ATOM 0 HD22 LEU A 137 -13.589 -13.071 17.373 1.00 14.89 H new ATOM 0 HD23 LEU A 137 -15.049 -12.692 17.857 1.00 14.89 H new ATOM 1033 N ALA A 138 -14.932 -7.884 16.104 1.00 24.01 N ATOM 1034 CA ALA A 138 -14.434 -6.517 16.377 1.00 26.36 C ATOM 1035 C ALA A 138 -15.139 -5.950 17.616 1.00 27.72 C ATOM 1036 O ALA A 138 -14.452 -5.415 18.516 1.00 28.77 O ATOM 1037 CB ALA A 138 -14.615 -5.627 15.171 1.00 27.00 C ATOM 0 H ALA A 138 -15.280 -7.990 15.325 1.00 24.01 H new ATOM 0 HA ALA A 138 -13.482 -6.554 16.560 1.00 26.36 H new ATOM 0 HB1 ALA A 138 -14.283 -4.738 15.372 1.00 27.00 H new ATOM 0 HB2 ALA A 138 -14.122 -5.994 14.421 1.00 27.00 H new ATOM 0 HB3 ALA A 138 -15.557 -5.576 14.945 1.00 27.00 H new ATOM 1038 N GLU A 139 -16.474 -6.106 17.708 1.00 27.17 N ATOM 1039 CA AGLU A 139 -17.233 -5.596 18.864 0.50 26.87 C ATOM 1040 CA BGLU A 139 -17.235 -5.631 18.871 0.50 27.07 C ATOM 1041 C GLU A 139 -16.721 -6.102 20.228 1.00 26.36 C ATOM 1042 O GLU A 139 -17.032 -5.501 21.265 1.00 27.28 O ATOM 1043 CB AGLU A 139 -18.750 -5.858 18.744 0.50 27.17 C ATOM 1044 CB BGLU A 139 -18.704 -6.010 18.751 0.50 27.41 C ATOM 1045 CG AGLU A 139 -19.457 -5.172 17.562 0.50 27.02 C ATOM 1046 CG BGLU A 139 -19.441 -5.122 17.809 0.50 28.56 C ATOM 1047 CD AGLU A 139 -19.818 -3.694 17.802 0.50 26.50 C ATOM 1048 CD BGLU A 139 -20.722 -5.731 17.342 0.50 28.97 C ATOM 1049 OE1AGLU A 139 -20.385 -3.353 18.876 0.50 25.92 O ATOM 1050 OE1BGLU A 139 -21.039 -6.862 17.775 0.50 29.49 O ATOM 1051 OE2AGLU A 139 -19.541 -2.883 16.895 0.50 27.67 O ATOM 1052 OE2BGLU A 139 -21.403 -5.088 16.525 0.50 30.81 O ATOM 0 H AGLU A 139 -16.954 -6.502 17.114 0.50 27.17 H new ATOM 0 H BGLU A 139 -16.954 -6.486 17.104 0.50 27.17 H new ATOM 0 HA AGLU A 139 -17.079 -4.639 18.839 0.50 27.07 H new ATOM 0 HA BGLU A 139 -17.115 -4.669 18.850 0.50 27.07 H new ATOM 0 HB2AGLU A 139 -18.891 -6.815 18.672 0.50 27.41 H new ATOM 0 HB2BGLU A 139 -18.775 -6.929 18.449 0.50 27.41 H new ATOM 0 HB3AGLU A 139 -19.177 -5.569 19.566 0.50 27.41 H new ATOM 0 HB3BGLU A 139 -19.120 -5.966 19.626 0.50 27.41 H new ATOM 0 HG2AGLU A 139 -18.886 -5.230 16.780 0.50 28.56 H new ATOM 0 HG2BGLU A 139 -19.627 -4.276 18.244 0.50 28.56 H new ATOM 0 HG3AGLU A 139 -20.269 -5.662 17.357 0.50 28.56 H new ATOM 0 HG3BGLU A 139 -18.879 -4.929 17.043 0.50 28.56 H new ATOM 1053 N LEU A 140 -15.956 -7.189 20.250 1.00 24.58 N ATOM 1054 CA LEU A 140 -15.394 -7.717 21.504 1.00 24.20 C ATOM 1055 C LEU A 140 -14.250 -6.839 22.052 1.00 25.44 C ATOM 1056 O LEU A 140 -13.917 -6.920 23.241 1.00 27.78 O ATOM 1057 CB LEU A 140 -14.877 -9.151 21.331 1.00 23.10 C ATOM 1058 CG LEU A 140 -15.893 -10.227 20.930 1.00 22.37 C ATOM 1059 CD1 LEU A 140 -15.213 -11.537 20.682 1.00 21.16 C ATOM 1060 CD2 LEU A 140 -16.975 -10.389 22.005 1.00 25.32 C ATOM 0 H LEU A 140 -15.746 -7.642 19.549 1.00 24.58 H new ATOM 0 HA LEU A 140 -16.124 -7.710 22.143 1.00 24.20 H new ATOM 0 HB2 LEU A 140 -14.176 -9.137 20.661 1.00 23.10 H new ATOM 0 HB3 LEU A 140 -14.466 -9.424 22.166 1.00 23.10 H new ATOM 0 HG LEU A 140 -16.318 -9.939 20.107 1.00 22.37 H new ATOM 0 HD11 LEU A 140 -15.873 -12.202 20.430 1.00 21.16 H new ATOM 0 HD12 LEU A 140 -14.567 -11.436 19.966 1.00 21.16 H new ATOM 0 HD13 LEU A 140 -14.758 -11.823 21.489 1.00 21.16 H new ATOM 0 HD21 LEU A 140 -17.605 -11.073 21.730 1.00 25.32 H new ATOM 0 HD22 LEU A 140 -16.562 -10.648 22.844 1.00 25.32 H new ATOM 0 HD23 LEU A 140 -17.443 -9.548 22.122 1.00 25.32 H new ATOM 1061 N GLY A 141 -13.622 -6.074 21.186 1.00 25.85 N ATOM 1062 CA GLY A 141 -12.477 -5.275 21.620 1.00 28.21 C ATOM 1063 C GLY A 141 -11.188 -6.065 21.689 1.00 29.59 C ATOM 1064 O GLY A 141 -11.222 -7.297 21.798 1.00 30.12 O ATOM 0 H GLY A 141 -13.830 -5.997 20.355 1.00 25.85 H new ATOM 0 HA2 GLY A 141 -12.360 -4.530 21.010 1.00 28.21 H new ATOM 0 HA3 GLY A 141 -12.666 -4.899 22.494 1.00 28.21 H new ATOM 1065 N GLN A 142 -10.048 -5.375 21.593 1.00 29.77 N ATOM 1066 CA GLN A 142 -8.744 -6.024 21.659 1.00 28.89 C ATOM 1067 C GLN A 142 -8.469 -6.471 23.100 1.00 28.71 C ATOM 1068 O GLN A 142 -8.444 -5.654 24.019 1.00 29.02 O ATOM 1069 CB GLN A 142 -7.635 -5.078 21.162 1.00 30.37 C ATOM 0 H GLN A 142 -10.013 -4.522 21.488 1.00 29.77 H new ATOM 0 HA GLN A 142 -8.749 -6.802 21.080 1.00 28.89 H new ATOM 1070 N PRO A 143 -8.279 -7.792 23.317 1.00 27.37 N ATOM 1071 CA PRO A 143 -7.939 -8.185 24.680 1.00 26.80 C ATOM 1072 C PRO A 143 -6.471 -7.859 24.959 1.00 26.64 C ATOM 1073 O PRO A 143 -5.650 -7.832 24.052 1.00 28.59 O ATOM 1074 CB PRO A 143 -8.162 -9.701 24.678 1.00 25.69 C ATOM 1075 CG PRO A 143 -7.918 -10.119 23.250 1.00 27.94 C ATOM 1076 CD PRO A 143 -8.300 -8.932 22.382 1.00 26.48 C ATOM 0 HA PRO A 143 -8.462 -7.729 25.358 1.00 26.80 H new ATOM 0 HB2 PRO A 143 -7.552 -10.148 25.286 1.00 25.69 H new ATOM 0 HB3 PRO A 143 -9.062 -9.926 24.963 1.00 25.69 H new ATOM 0 HG2 PRO A 143 -6.988 -10.360 23.115 1.00 27.94 H new ATOM 0 HG3 PRO A 143 -8.449 -10.898 23.023 1.00 27.94 H new ATOM 0 HD2 PRO A 143 -7.672 -8.807 21.654 1.00 26.48 H new ATOM 0 HD3 PRO A 143 -9.177 -9.050 21.984 1.00 26.48 H new ATOM 1077 N GLU A 144 -6.144 -7.616 26.203 1.00 25.56 N ATOM 1078 CA GLU A 144 -4.781 -7.306 26.533 1.00 25.48 C ATOM 1079 C GLU A 144 -4.272 -8.580 27.159 1.00 22.23 C ATOM 1080 O GLU A 144 -4.948 -9.193 28.011 1.00 23.00 O ATOM 1081 CB GLU A 144 -4.725 -6.125 27.478 1.00 27.53 C ATOM 1082 CG GLU A 144 -5.152 -4.826 26.790 1.00 34.40 C ATOM 1083 CD GLU A 144 -5.256 -3.663 27.751 1.00 40.81 C ATOM 1084 OE1 GLU A 144 -5.434 -3.910 28.974 1.00 44.65 O ATOM 1085 OE2 GLU A 144 -5.162 -2.508 27.279 1.00 44.41 O ATOM 0 H GLU A 144 -6.691 -7.625 26.867 1.00 25.56 H new ATOM 0 HA GLU A 144 -4.241 -7.042 25.772 1.00 25.48 H new ATOM 0 HB2 GLU A 144 -5.302 -6.292 28.240 1.00 27.53 H new ATOM 0 HB3 GLU A 144 -3.823 -6.028 27.821 1.00 27.53 H new ATOM 0 HG2 GLU A 144 -4.513 -4.609 26.093 1.00 34.40 H new ATOM 0 HG3 GLU A 144 -6.010 -4.961 26.357 1.00 34.40 H new ATOM 1086 N PHE A 145 -3.117 -9.002 26.681 1.00 17.35 N ATOM 1087 CA PHE A 145 -2.416 -10.101 27.331 1.00 14.13 C ATOM 1088 C PHE A 145 -0.971 -9.746 27.390 1.00 14.24 C ATOM 1089 O PHE A 145 -0.401 -9.288 26.392 1.00 15.90 O ATOM 1090 CB PHE A 145 -2.612 -11.396 26.522 1.00 12.81 C ATOM 1091 CG PHE A 145 -3.992 -11.995 26.638 1.00 12.23 C ATOM 1092 CD1 PHE A 145 -4.821 -12.049 25.518 1.00 12.23 C ATOM 1093 CD2 PHE A 145 -4.454 -12.516 27.843 1.00 10.78 C ATOM 1094 CE1 PHE A 145 -6.090 -12.610 25.611 1.00 12.76 C ATOM 1095 CE2 PHE A 145 -5.734 -13.036 27.941 1.00 11.89 C ATOM 1096 CZ PHE A 145 -6.542 -13.075 26.848 1.00 11.68 C ATOM 0 H PHE A 145 -2.722 -8.674 25.991 1.00 17.35 H new ATOM 0 HA PHE A 145 -2.763 -10.246 28.225 1.00 14.13 H new ATOM 0 HB2 PHE A 145 -2.428 -11.213 25.588 1.00 12.81 H new ATOM 0 HB3 PHE A 145 -1.960 -12.051 26.817 1.00 12.81 H new ATOM 0 HD1 PHE A 145 -4.524 -11.708 24.705 1.00 12.23 H new ATOM 0 HD2 PHE A 145 -3.898 -12.515 28.589 1.00 10.78 H new ATOM 0 HE1 PHE A 145 -6.632 -12.675 24.858 1.00 12.76 H new ATOM 0 HE2 PHE A 145 -6.042 -13.359 28.757 1.00 11.89 H new ATOM 0 HZ PHE A 145 -7.404 -13.415 26.925 1.00 11.68 H new ATOM 1097 N GLU A 146 -0.362 -10.046 28.522 1.00 13.13 N ATOM 1098 CA GLU A 146 1.033 -9.625 28.788 1.00 14.82 C ATOM 1099 C GLU A 146 2.123 -10.408 28.057 1.00 14.95 C ATOM 1100 O GLU A 146 3.238 -9.879 27.839 1.00 16.26 O ATOM 1101 CB GLU A 146 1.334 -9.656 30.284 1.00 17.25 C ATOM 1102 CG GLU A 146 0.581 -8.537 31.022 1.00 21.91 C ATOM 1103 CD GLU A 146 0.787 -8.590 32.520 1.00 30.70 C ATOM 1104 OE1 GLU A 146 1.288 -9.625 33.026 1.00 30.62 O ATOM 1105 OE2 GLU A 146 0.429 -7.594 33.193 1.00 32.35 O ATOM 0 H GLU A 146 -0.726 -10.493 29.160 1.00 13.13 H new ATOM 0 HA GLU A 146 1.068 -8.723 28.432 1.00 14.82 H new ATOM 0 HB2 GLU A 146 1.080 -10.517 30.650 1.00 17.25 H new ATOM 0 HB3 GLU A 146 2.288 -9.557 30.427 1.00 17.25 H new ATOM 0 HG2 GLU A 146 0.878 -7.676 30.688 1.00 21.91 H new ATOM 0 HG3 GLU A 146 -0.367 -8.605 30.826 1.00 21.91 H new ATOM 1106 N GLN A 147 1.835 -11.675 27.768 1.00 12.00 N ATOM 1107 CA AGLN A 147 2.846 -12.572 27.155 0.50 12.33 C ATOM 1108 CA BGLN A 147 2.832 -12.590 27.177 0.50 12.29 C ATOM 1109 C GLN A 147 2.356 -13.234 25.874 1.00 12.16 C ATOM 1110 O GLN A 147 1.986 -14.436 25.863 1.00 13.17 O ATOM 1111 CB AGLN A 147 3.338 -13.657 28.148 0.50 13.07 C ATOM 1112 CB BGLN A 147 3.231 -13.678 28.213 0.50 12.96 C ATOM 1113 CG AGLN A 147 3.928 -13.128 29.459 0.50 14.54 C ATOM 1114 CG BGLN A 147 3.723 -13.082 29.553 0.50 14.20 C ATOM 1115 CD AGLN A 147 4.483 -14.235 30.366 0.50 18.34 C ATOM 1116 CD BGLN A 147 3.879 -14.081 30.729 0.50 17.90 C ATOM 1117 OE1AGLN A 147 3.893 -14.386 31.561 0.50 20.28 O flip ATOM 1118 OE1BGLN A 147 3.530 -15.260 30.664 0.50 18.69 O ATOM 1119 NE2AGLN A 147 5.453 -14.909 30.015 0.50 21.54 N flip ATOM 1120 NE2BGLN A 147 4.414 -13.568 31.828 0.50 17.22 N ATOM 0 H AGLN A 147 1.071 -12.042 27.913 0.50 12.00 H new ATOM 0 H BGLN A 147 1.065 -12.033 27.905 0.50 12.00 H new ATOM 0 HA AGLN A 147 3.592 -11.996 26.924 0.50 12.29 H new ATOM 0 HA BGLN A 147 3.609 -12.056 26.948 0.50 12.29 H new ATOM 0 HB2AGLN A 147 2.594 -14.242 28.359 0.50 12.96 H new ATOM 0 HB2BGLN A 147 2.468 -14.253 28.381 0.50 12.96 H new ATOM 0 HB3AGLN A 147 4.009 -14.199 27.705 0.50 12.96 H new ATOM 0 HB3BGLN A 147 3.930 -14.236 27.837 0.50 12.96 H new ATOM 0 HG2AGLN A 147 4.638 -12.499 29.256 0.50 14.20 H new ATOM 0 HG2BGLN A 147 4.580 -12.654 29.400 0.50 14.20 H new ATOM 0 HG3AGLN A 147 3.243 -12.638 29.940 0.50 14.20 H new ATOM 0 HG3BGLN A 147 3.103 -12.387 29.824 0.50 14.20 H new ATOM 0 HE21AGLN A 147 5.806 -14.784 29.241 0.50 17.22 H new ATOM 0 HE21BGLN A 147 4.649 -12.741 31.846 0.50 17.22 H new ATOM 0 HE22AGLN A 147 5.777 -15.504 30.544 0.50 17.22 H new ATOM 0 HE22BGLN A 147 4.526 -14.062 32.523 0.50 17.22 H new ATOM 1121 N GLN A 148 2.336 -12.465 24.802 1.00 11.88 N ATOM 1122 CA GLN A 148 1.945 -12.924 23.491 1.00 12.31 C ATOM 1123 C GLN A 148 3.040 -13.791 22.918 1.00 11.60 C ATOM 1124 O GLN A 148 4.238 -13.560 23.173 1.00 14.05 O ATOM 1125 CB GLN A 148 1.780 -11.728 22.532 1.00 14.23 C ATOM 1126 CG GLN A 148 0.895 -10.650 23.060 1.00 20.75 C ATOM 1127 CD GLN A 148 -0.488 -10.995 22.844 1.00 22.98 C ATOM 1128 OE1 GLN A 148 -0.791 -12.100 22.324 1.00 25.43 O ATOM 1129 NE2 GLN A 148 -1.396 -10.074 23.192 1.00 27.54 N ATOM 0 H GLN A 148 2.557 -11.634 24.820 1.00 11.88 H new ATOM 0 HA GLN A 148 1.111 -13.411 23.578 1.00 12.31 H new ATOM 0 HB2 GLN A 148 2.654 -11.353 22.343 1.00 14.23 H new ATOM 0 HB3 GLN A 148 1.420 -12.047 21.690 1.00 14.23 H new ATOM 0 HG2 GLN A 148 1.060 -10.521 24.007 1.00 20.75 H new ATOM 0 HG3 GLN A 148 1.099 -9.810 22.620 1.00 20.75 H new ATOM 0 HE21 GLN A 148 -1.142 -9.332 23.545 1.00 27.54 H new ATOM 0 HE22 GLN A 148 -2.233 -10.225 23.063 1.00 27.54 H new ATOM 1130 N ARG A 149 2.636 -14.798 22.138 1.00 10.33 N ATOM 1131 CA ARG A 149 3.589 -15.679 21.418 1.00 9.26 C ATOM 1132 C ARG A 149 3.294 -15.540 19.933 1.00 9.95 C ATOM 1133 O ARG A 149 2.094 -15.431 19.541 1.00 11.12 O ATOM 1134 CB ARG A 149 3.296 -17.107 21.928 1.00 10.47 C ATOM 1135 CG ARG A 149 3.690 -17.220 23.412 1.00 8.07 C ATOM 1136 CD ARG A 149 3.479 -18.585 23.928 1.00 9.44 C ATOM 1137 NE ARG A 149 4.458 -19.480 23.273 1.00 8.42 N ATOM 1138 CZ ARG A 149 4.572 -20.787 23.547 1.00 9.22 C ATOM 1139 NH1 ARG A 149 3.873 -21.355 24.539 1.00 10.73 N ATOM 1140 NH2 ARG A 149 5.409 -21.520 22.839 1.00 8.81 N ATOM 0 H ARG A 149 1.809 -14.995 22.007 1.00 10.33 H new ATOM 0 HA ARG A 149 4.523 -15.461 21.565 1.00 9.26 H new ATOM 0 HB2 ARG A 149 2.354 -17.312 21.818 1.00 10.47 H new ATOM 0 HB3 ARG A 149 3.791 -17.755 21.403 1.00 10.47 H new ATOM 0 HG2 ARG A 149 4.622 -16.973 23.520 1.00 8.07 H new ATOM 0 HG3 ARG A 149 3.168 -16.592 23.935 1.00 8.07 H new ATOM 0 HD2 ARG A 149 3.594 -18.605 24.891 1.00 9.44 H new ATOM 0 HD3 ARG A 149 2.574 -18.881 23.744 1.00 9.44 H new ATOM 0 HE ARG A 149 4.984 -19.142 22.683 1.00 8.42 H new ATOM 0 HH11 ARG A 149 3.338 -20.879 25.015 1.00 10.73 H new ATOM 0 HH12 ARG A 149 3.960 -22.195 24.700 1.00 10.73 H new ATOM 0 HH21 ARG A 149 5.872 -21.158 22.211 1.00 8.81 H new ATOM 0 HH22 ARG A 149 5.491 -22.360 23.005 1.00 8.81 H new ATOM 1141 N GLU A 150 4.356 -15.526 19.131 1.00 11.08 N ATOM 1142 CA AGLU A 150 4.248 -15.456 17.656 0.50 10.41 C ATOM 1143 CA BGLU A 150 4.218 -15.464 17.670 0.50 10.70 C ATOM 1144 C GLU A 150 3.966 -16.850 17.113 1.00 10.84 C ATOM 1145 O GLU A 150 4.600 -17.826 17.488 1.00 10.71 O ATOM 1146 CB AGLU A 150 5.531 -14.896 16.998 0.50 11.80 C ATOM 1147 CB BGLU A 150 5.462 -14.866 17.018 0.50 12.23 C ATOM 1148 CG AGLU A 150 5.437 -14.757 15.460 0.50 13.36 C ATOM 1149 CG BGLU A 150 5.758 -13.488 17.515 0.50 15.05 C ATOM 1150 CD AGLU A 150 6.655 -14.097 14.807 0.50 21.36 C ATOM 1151 CD BGLU A 150 6.548 -12.670 16.533 0.50 24.02 C ATOM 1152 OE1AGLU A 150 7.673 -14.773 14.637 0.50 21.50 O ATOM 1153 OE1BGLU A 150 7.344 -13.274 15.774 0.50 27.09 O ATOM 1154 OE2AGLU A 150 6.585 -12.904 14.428 0.50 24.73 O ATOM 1155 OE2BGLU A 150 6.371 -11.426 16.533 0.50 28.09 O ATOM 0 H AGLU A 150 5.166 -15.557 19.419 0.50 11.08 H new ATOM 0 H BGLU A 150 5.169 -15.552 19.410 0.50 11.08 H new ATOM 0 HA AGLU A 150 3.523 -14.849 17.440 0.50 10.70 H new ATOM 0 HA BGLU A 150 3.463 -14.889 17.467 0.50 10.70 H new ATOM 0 HB2AGLU A 150 5.727 -14.027 17.381 0.50 12.23 H new ATOM 0 HB2BGLU A 150 6.224 -15.441 17.192 0.50 12.23 H new ATOM 0 HB3AGLU A 150 6.276 -15.477 17.216 0.50 12.23 H new ATOM 0 HB3BGLU A 150 5.340 -14.841 16.056 0.50 12.23 H new ATOM 0 HG2AGLU A 150 5.315 -15.638 15.074 0.50 15.05 H new ATOM 0 HG2BGLU A 150 4.924 -13.033 17.711 0.50 15.05 H new ATOM 0 HG3AGLU A 150 4.646 -14.239 15.241 0.50 15.05 H new ATOM 0 HG3BGLU A 150 6.250 -13.548 18.349 0.50 15.05 H new ATOM 1156 N LEU A 151 3.018 -16.937 16.218 1.00 10.00 N ATOM 1157 CA LEU A 151 2.725 -18.184 15.559 1.00 10.86 C ATOM 1158 C LEU A 151 3.890 -18.658 14.677 1.00 10.55 C ATOM 1159 O LEU A 151 4.584 -17.841 14.065 1.00 11.49 O ATOM 1160 CB LEU A 151 1.512 -18.007 14.688 1.00 10.77 C ATOM 1161 CG LEU A 151 0.200 -17.858 15.446 1.00 10.72 C ATOM 1162 CD1 LEU A 151 -0.918 -17.242 14.521 1.00 9.62 C ATOM 1163 CD2 LEU A 151 -0.232 -19.196 16.091 1.00 10.49 C ATOM 0 H LEU A 151 2.524 -16.277 15.972 1.00 10.00 H new ATOM 0 HA LEU A 151 2.572 -18.851 16.247 1.00 10.86 H new ATOM 0 HB2 LEU A 151 1.640 -17.223 14.131 1.00 10.77 H new ATOM 0 HB3 LEU A 151 1.443 -18.770 14.093 1.00 10.77 H new ATOM 0 HG LEU A 151 0.338 -17.233 16.175 1.00 10.72 H new ATOM 0 HD11 LEU A 151 -1.743 -17.156 15.024 1.00 9.62 H new ATOM 0 HD12 LEU A 151 -0.636 -16.367 14.211 1.00 9.62 H new ATOM 0 HD13 LEU A 151 -1.063 -17.823 13.758 1.00 9.62 H new ATOM 0 HD21 LEU A 151 -1.069 -19.071 16.566 1.00 10.49 H new ATOM 0 HD22 LEU A 151 -0.350 -19.866 15.399 1.00 10.49 H new ATOM 0 HD23 LEU A 151 0.451 -19.491 16.713 1.00 10.49 H new ATOM 1164 N PRO A 152 4.086 -19.955 14.525 1.00 11.31 N ATOM 1165 CA PRO A 152 5.069 -20.496 13.582 1.00 12.38 C ATOM 1166 C PRO A 152 4.541 -20.324 12.170 1.00 11.61 C ATOM 1167 O PRO A 152 3.391 -19.960 12.003 1.00 11.44 O ATOM 1168 CB PRO A 152 5.155 -21.992 13.970 1.00 14.83 C ATOM 1169 CG PRO A 152 3.801 -22.276 14.563 1.00 12.48 C ATOM 1170 CD PRO A 152 3.348 -21.021 15.261 1.00 11.03 C ATOM 0 HA PRO A 152 5.935 -20.061 13.615 1.00 12.38 H new ATOM 0 HB2 PRO A 152 5.332 -22.552 13.198 1.00 14.83 H new ATOM 0 HB3 PRO A 152 5.867 -22.156 14.609 1.00 14.83 H new ATOM 0 HG2 PRO A 152 3.170 -22.529 13.871 1.00 12.48 H new ATOM 0 HG3 PRO A 152 3.849 -23.017 15.188 1.00 12.48 H new ATOM 0 HD2 PRO A 152 2.387 -20.902 15.201 1.00 11.03 H new ATOM 0 HD3 PRO A 152 3.574 -21.031 16.204 1.00 11.03 H new ATOM 1171 N PRO A 153 5.387 -20.420 11.146 1.00 13.44 N ATOM 1172 CA PRO A 153 4.950 -20.116 9.795 1.00 13.37 C ATOM 1173 C PRO A 153 3.700 -20.866 9.328 1.00 13.98 C ATOM 1174 O PRO A 153 2.852 -20.280 8.637 1.00 14.14 O ATOM 1175 CB PRO A 153 6.161 -20.526 8.938 1.00 15.44 C ATOM 1176 CG PRO A 153 7.310 -20.332 9.818 1.00 15.70 C ATOM 1177 CD PRO A 153 6.854 -20.636 11.235 1.00 15.00 C ATOM 0 HA PRO A 153 4.688 -19.184 9.729 1.00 13.37 H new ATOM 0 HB2 PRO A 153 6.091 -21.448 8.645 1.00 15.44 H new ATOM 0 HB3 PRO A 153 6.231 -19.980 8.140 1.00 15.44 H new ATOM 0 HG2 PRO A 153 8.040 -20.917 9.561 1.00 15.70 H new ATOM 0 HG3 PRO A 153 7.640 -19.422 9.753 1.00 15.70 H new ATOM 0 HD2 PRO A 153 7.071 -21.544 11.499 1.00 15.00 H new ATOM 0 HD3 PRO A 153 7.268 -20.046 11.883 1.00 15.00 H new ATOM 1178 N TRP A 154 3.577 -22.145 9.718 1.00 11.96 N ATOM 1179 CA TRP A 154 2.371 -22.905 9.294 1.00 13.11 C ATOM 1180 C TRP A 154 1.091 -22.234 9.841 1.00 12.97 C ATOM 1181 O TRP A 154 -0.021 -22.487 9.378 1.00 12.48 O ATOM 1182 CB TRP A 154 2.438 -24.410 9.650 1.00 12.62 C ATOM 1183 CG TRP A 154 2.556 -24.696 11.097 1.00 13.45 C ATOM 1184 CD1 TRP A 154 3.688 -24.976 11.797 1.00 12.41 C ATOM 1185 CD2 TRP A 154 1.476 -24.819 12.016 1.00 11.43 C ATOM 1186 NE1 TRP A 154 3.405 -25.209 13.110 1.00 15.01 N ATOM 1187 CE2 TRP A 154 2.042 -25.114 13.284 1.00 12.35 C ATOM 1188 CE3 TRP A 154 0.076 -24.652 11.913 1.00 11.78 C ATOM 1189 CZ2 TRP A 154 1.262 -25.289 14.428 1.00 10.82 C ATOM 1190 CZ3 TRP A 154 -0.701 -24.898 13.028 1.00 10.87 C ATOM 1191 CH2 TRP A 154 -0.096 -25.174 14.275 1.00 10.66 C ATOM 0 H TRP A 154 4.142 -22.577 10.201 1.00 11.96 H new ATOM 0 HA TRP A 154 2.342 -22.875 8.325 1.00 13.11 H new ATOM 0 HB2 TRP A 154 1.641 -24.846 9.310 1.00 12.62 H new ATOM 0 HB3 TRP A 154 3.196 -24.805 9.191 1.00 12.62 H new ATOM 0 HD1 TRP A 154 4.542 -25.005 11.429 1.00 12.41 H new ATOM 0 HE1 TRP A 154 3.980 -25.385 13.725 1.00 15.01 H new ATOM 0 HE3 TRP A 154 -0.313 -24.383 11.112 1.00 11.78 H new ATOM 0 HZ2 TRP A 154 1.645 -25.475 15.255 1.00 10.82 H new ATOM 0 HZ3 TRP A 154 -1.628 -24.882 12.958 1.00 10.87 H new ATOM 0 HH2 TRP A 154 -0.640 -25.282 15.021 1.00 10.66 H new ATOM 1192 N GLY A 155 1.271 -21.396 10.867 1.00 11.01 N ATOM 1193 CA GLY A 155 0.177 -20.639 11.502 1.00 10.88 C ATOM 1194 C GLY A 155 -0.419 -19.525 10.681 1.00 10.95 C ATOM 1195 O GLY A 155 -1.320 -18.819 11.167 1.00 10.27 O ATOM 0 H GLY A 155 2.041 -21.247 11.220 1.00 11.01 H new ATOM 0 HA2 GLY A 155 -0.531 -21.261 11.733 1.00 10.88 H new ATOM 0 HA3 GLY A 155 0.507 -20.263 12.333 1.00 10.88 H new ATOM 1196 N GLU A 156 -0.019 -19.424 9.413 1.00 11.29 N ATOM 1197 CA GLU A 156 -0.656 -18.484 8.499 1.00 12.08 C ATOM 1198 C GLU A 156 -2.154 -18.772 8.340 1.00 10.53 C ATOM 1199 O GLU A 156 -2.947 -17.893 8.005 1.00 12.55 O ATOM 1200 CB GLU A 156 0.078 -18.456 7.161 1.00 11.77 C ATOM 1201 CG GLU A 156 0.176 -19.820 6.444 1.00 12.76 C ATOM 1202 CD GLU A 156 -1.075 -20.211 5.657 1.00 13.38 C ATOM 1203 OE1 GLU A 156 -1.939 -19.351 5.352 1.00 17.46 O ATOM 1204 OE2 GLU A 156 -1.168 -21.384 5.299 1.00 14.42 O ATOM 0 H GLU A 156 0.616 -19.889 9.066 1.00 11.29 H new ATOM 0 HA GLU A 156 -0.592 -17.596 8.884 1.00 12.08 H new ATOM 0 HB2 GLU A 156 -0.371 -17.828 6.574 1.00 11.77 H new ATOM 0 HB3 GLU A 156 0.975 -18.117 7.306 1.00 11.77 H new ATOM 0 HG2 GLU A 156 0.933 -19.801 5.838 1.00 12.76 H new ATOM 0 HG3 GLU A 156 0.358 -20.508 7.104 1.00 12.76 H new ATOM 1205 N ILE A 157 -2.521 -20.003 8.668 1.00 10.24 N ATOM 1206 CA ILE A 157 -3.936 -20.446 8.563 1.00 9.73 C ATOM 1207 C ILE A 157 -4.854 -19.714 9.580 1.00 10.12 C ATOM 1208 O ILE A 157 -6.072 -19.711 9.431 1.00 10.88 O ATOM 1209 CB ILE A 157 -4.112 -21.960 8.725 1.00 9.76 C ATOM 1210 CG1 ILE A 157 -3.616 -22.410 10.133 1.00 9.22 C ATOM 1211 CG2 ILE A 157 -3.366 -22.663 7.590 1.00 11.21 C ATOM 1212 CD1 ILE A 157 -3.692 -23.903 10.371 1.00 9.72 C ATOM 0 H ILE A 157 -1.979 -20.606 8.954 1.00 10.24 H new ATOM 0 HA ILE A 157 -4.203 -20.209 7.661 1.00 9.73 H new ATOM 0 HB ILE A 157 -5.049 -22.204 8.669 1.00 9.76 H new ATOM 0 HG12 ILE A 157 -2.697 -22.121 10.249 1.00 9.22 H new ATOM 0 HG13 ILE A 157 -4.143 -21.958 10.810 1.00 9.22 H new ATOM 0 HG21 ILE A 157 -3.469 -23.623 7.681 1.00 11.21 H new ATOM 0 HG22 ILE A 157 -3.731 -22.378 6.738 1.00 11.21 H new ATOM 0 HG23 ILE A 157 -2.424 -22.434 7.631 1.00 11.21 H new ATOM 0 HD11 ILE A 157 -3.369 -24.106 11.263 1.00 9.72 H new ATOM 0 HD12 ILE A 157 -4.612 -24.198 10.287 1.00 9.72 H new ATOM 0 HD13 ILE A 157 -3.144 -24.364 9.716 1.00 9.72 H new ATOM 1213 N PHE A 158 -4.292 -19.178 10.654 1.00 10.65 N ATOM 1214 CA PHE A 158 -5.123 -18.571 11.679 1.00 10.02 C ATOM 1215 C PHE A 158 -5.524 -17.135 11.362 1.00 10.04 C ATOM 1216 O PHE A 158 -4.791 -16.429 10.638 1.00 11.66 O ATOM 1217 CB PHE A 158 -4.420 -18.669 13.037 1.00 10.12 C ATOM 1218 CG PHE A 158 -4.104 -20.091 13.441 1.00 8.30 C ATOM 1219 CD1 PHE A 158 -2.776 -20.498 13.639 1.00 9.62 C ATOM 1220 CD2 PHE A 158 -5.151 -20.990 13.669 1.00 7.58 C ATOM 1221 CE1 PHE A 158 -2.521 -21.800 13.997 1.00 9.77 C ATOM 1222 CE2 PHE A 158 -4.906 -22.339 14.039 1.00 7.58 C ATOM 1223 CZ PHE A 158 -3.567 -22.768 14.171 1.00 8.66 C ATOM 0 H PHE A 158 -3.446 -19.155 10.807 1.00 10.65 H new ATOM 0 HA PHE A 158 -5.955 -19.069 11.709 1.00 10.02 H new ATOM 0 HB2 PHE A 158 -3.597 -18.157 13.006 1.00 10.12 H new ATOM 0 HB3 PHE A 158 -4.982 -18.263 13.716 1.00 10.12 H new ATOM 0 HD1 PHE A 158 -2.077 -19.894 13.529 1.00 9.62 H new ATOM 0 HD2 PHE A 158 -6.029 -20.697 13.576 1.00 7.58 H new ATOM 0 HE1 PHE A 158 -1.639 -22.064 14.131 1.00 9.77 H new ATOM 0 HE2 PHE A 158 -5.611 -22.926 14.191 1.00 7.58 H new ATOM 0 HZ PHE A 158 -3.368 -23.655 14.366 1.00 8.66 H new ATOM 1224 N SER A 159 -6.691 -16.704 11.856 1.00 9.78 N ATOM 1225 CA SER A 159 -7.231 -15.405 11.508 1.00 10.53 C ATOM 1226 C SER A 159 -6.491 -14.326 12.284 1.00 10.39 C ATOM 1227 O SER A 159 -5.732 -14.628 13.247 1.00 10.31 O ATOM 1228 CB SER A 159 -8.717 -15.354 11.933 1.00 9.02 C ATOM 1229 OG SER A 159 -8.822 -15.005 13.324 1.00 10.85 O ATOM 0 H SER A 159 -7.181 -17.159 12.397 1.00 9.78 H new ATOM 0 HA SER A 159 -7.136 -15.262 10.553 1.00 10.53 H new ATOM 0 HB2 SER A 159 -9.193 -14.704 11.392 1.00 9.02 H new ATOM 0 HB3 SER A 159 -9.135 -16.215 11.776 1.00 9.02 H new ATOM 0 HG SER A 159 -8.659 -15.681 13.796 1.00 10.85 H new ATOM 1230 N GLU A 160 -6.770 -13.060 11.921 1.00 12.95 N ATOM 1231 CA GLU A 160 -6.219 -11.945 12.735 1.00 14.34 C ATOM 1232 C GLU A 160 -6.700 -11.893 14.211 1.00 14.09 C ATOM 1233 O GLU A 160 -6.157 -11.129 15.000 1.00 13.11 O ATOM 1234 CB GLU A 160 -6.449 -10.605 12.034 1.00 16.73 C ATOM 1235 CG GLU A 160 -7.894 -10.165 11.875 1.00 20.45 C ATOM 1236 CD GLU A 160 -7.970 -8.759 11.242 1.00 31.31 C ATOM 1237 OE1 GLU A 160 -6.882 -8.206 10.893 1.00 36.23 O ATOM 1238 OE2 GLU A 160 -9.094 -8.217 11.128 1.00 35.75 O ATOM 0 H GLU A 160 -7.249 -12.829 11.245 1.00 12.95 H new ATOM 0 HA GLU A 160 -5.268 -12.127 12.799 1.00 14.34 H new ATOM 0 HB2 GLU A 160 -5.975 -9.918 12.528 1.00 16.73 H new ATOM 0 HB3 GLU A 160 -6.046 -10.650 11.153 1.00 16.73 H new ATOM 0 HG2 GLU A 160 -8.371 -10.801 11.320 1.00 20.45 H new ATOM 0 HG3 GLU A 160 -8.332 -10.159 12.740 1.00 20.45 H new ATOM 1239 N TYR A 161 -7.751 -12.657 14.549 1.00 11.93 N ATOM 1240 CA ATYR A 161 -8.297 -12.659 15.906 0.50 11.23 C ATOM 1241 CA BTYR A 161 -8.344 -12.674 15.867 0.50 11.66 C ATOM 1242 C TYR A 161 -7.710 -13.797 16.717 1.00 10.62 C ATOM 1243 O TYR A 161 -8.062 -13.995 17.905 1.00 11.48 O ATOM 1244 CB ATYR A 161 -9.839 -12.752 15.915 0.50 11.14 C ATOM 1245 CB BTYR A 161 -9.875 -12.859 15.729 0.50 12.04 C ATOM 1246 CG ATYR A 161 -10.479 -11.497 15.384 0.50 10.80 C ATOM 1247 CG BTYR A 161 -10.540 -11.831 14.794 0.50 13.01 C ATOM 1248 CD1ATYR A 161 -10.894 -11.430 14.070 0.50 9.97 C ATOM 1249 CD1BTYR A 161 -10.818 -10.545 15.219 0.50 16.09 C ATOM 1250 CD2ATYR A 161 -10.597 -10.345 16.177 0.50 11.00 C ATOM 1251 CD2BTYR A 161 -10.859 -12.150 13.478 0.50 15.75 C ATOM 1252 CE1ATYR A 161 -11.456 -10.270 13.544 0.50 11.52 C ATOM 1253 CE1BTYR A 161 -11.380 -9.598 14.348 0.50 13.96 C ATOM 1254 CE2ATYR A 161 -11.156 -9.174 15.652 0.50 9.12 C ATOM 1255 CE2BTYR A 161 -11.415 -11.206 12.611 0.50 16.55 C ATOM 1256 CZ ATYR A 161 -11.556 -9.164 14.317 0.50 12.54 C ATOM 1257 CZ BTYR A 161 -11.693 -9.947 13.062 0.50 17.66 C ATOM 1258 OH ATYR A 161 -12.108 -8.031 13.764 0.50 17.00 O ATOM 1259 OH BTYR A 161 -12.262 -9.034 12.191 0.50 21.31 O ATOM 0 H ATYR A 161 -8.159 -13.180 14.002 0.50 11.93 H new ATOM 0 H BTYR A 161 -8.138 -13.188 13.994 0.50 11.93 H new ATOM 0 HA ATYR A 161 -8.049 -11.813 16.310 0.50 11.66 H new ATOM 0 HA BTYR A 161 -8.175 -11.834 16.321 0.50 11.66 H new ATOM 0 HB2ATYR A 161 -10.120 -13.510 15.379 0.50 12.04 H new ATOM 0 HB2BTYR A 161 -10.056 -13.752 15.396 0.50 12.04 H new ATOM 0 HB3ATYR A 161 -10.148 -12.914 16.820 0.50 12.04 H new ATOM 0 HB3BTYR A 161 -10.281 -12.796 16.608 0.50 12.04 H new ATOM 0 HD1ATYR A 161 -10.796 -12.176 13.524 0.50 16.09 H new ATOM 0 HD1BTYR A 161 -10.629 -10.303 16.097 0.50 16.09 H new ATOM 0 HD2ATYR A 161 -10.301 -10.360 17.059 0.50 15.75 H new ATOM 0 HD2BTYR A 161 -10.698 -13.012 13.168 0.50 15.75 H new ATOM 0 HE1ATYR A 161 -11.761 -10.255 12.666 0.50 13.96 H new ATOM 0 HE1BTYR A 161 -11.540 -8.732 14.646 0.50 13.96 H new ATOM 0 HE2ATYR A 161 -11.258 -8.418 16.183 0.50 16.55 H new ATOM 0 HE2BTYR A 161 -11.596 -11.435 11.728 0.50 16.55 H new ATOM 0 HH ATYR A 161 -12.117 -7.416 14.336 0.50 21.31 H new ATOM 0 HH BTYR A 161 -12.391 -9.400 11.446 0.50 21.31 H new ATOM 1260 N CYS A 162 -6.791 -14.539 16.107 1.00 9.66 N ATOM 1261 CA CYS A 162 -6.181 -15.689 16.841 1.00 9.33 C ATOM 1262 C CYS A 162 -5.533 -15.286 18.156 1.00 9.92 C ATOM 1263 O CYS A 162 -4.802 -14.268 18.187 1.00 11.40 O ATOM 1264 CB CYS A 162 -5.148 -16.352 15.933 1.00 8.97 C ATOM 1265 SG CYS A 162 -4.542 -17.951 16.576 1.00 10.43 S ATOM 0 H CYS A 162 -6.506 -14.416 15.305 1.00 9.66 H new ATOM 0 HA CYS A 162 -6.895 -16.306 17.068 1.00 9.33 H new ATOM 0 HB2 CYS A 162 -5.539 -16.490 15.056 1.00 8.97 H new ATOM 0 HB3 CYS A 162 -4.396 -15.751 15.817 1.00 8.97 H new ATOM 0 HG CYS A 162 -3.739 -18.411 15.812 1.00 10.43 H new ATOM 1266 N LEU A 163 -5.811 -16.016 19.225 1.00 9.47 N ATOM 1267 CA LEU A 163 -5.081 -15.806 20.485 1.00 10.23 C ATOM 1268 C LEU A 163 -3.995 -16.872 20.583 1.00 9.79 C ATOM 1269 O LEU A 163 -4.194 -18.068 20.274 1.00 8.45 O ATOM 1270 CB LEU A 163 -6.017 -16.038 21.670 1.00 9.60 C ATOM 1271 CG LEU A 163 -7.276 -15.207 21.639 1.00 12.54 C ATOM 1272 CD1 LEU A 163 -8.120 -15.644 22.916 1.00 15.07 C ATOM 1273 CD2 LEU A 163 -6.927 -13.726 21.567 1.00 14.77 C ATOM 0 H LEU A 163 -6.410 -16.633 19.251 1.00 9.47 H new ATOM 0 HA LEU A 163 -4.721 -14.905 20.500 1.00 10.23 H new ATOM 0 HB2 LEU A 163 -6.262 -16.976 21.696 1.00 9.60 H new ATOM 0 HB3 LEU A 163 -5.536 -15.847 22.491 1.00 9.60 H new ATOM 0 HG LEU A 163 -7.819 -15.357 20.849 1.00 12.54 H new ATOM 0 HD11 LEU A 163 -8.947 -15.137 22.947 1.00 15.07 H new ATOM 0 HD12 LEU A 163 -8.323 -16.591 22.861 1.00 15.07 H new ATOM 0 HD13 LEU A 163 -7.605 -15.470 23.719 1.00 15.07 H new ATOM 0 HD21 LEU A 163 -7.743 -13.202 21.548 1.00 14.77 H new ATOM 0 HD22 LEU A 163 -6.403 -13.479 22.345 1.00 14.77 H new ATOM 0 HD23 LEU A 163 -6.413 -13.553 20.763 1.00 14.77 H new ATOM 1274 N PHE A 164 -2.804 -16.454 21.024 1.00 9.51 N ATOM 1275 CA PHE A 164 -1.675 -17.349 21.253 1.00 8.77 C ATOM 1276 C PHE A 164 -0.860 -16.682 22.345 1.00 10.26 C ATOM 1277 O PHE A 164 -0.151 -15.695 22.082 1.00 10.01 O ATOM 1278 CB PHE A 164 -0.811 -17.610 19.979 1.00 7.96 C ATOM 1279 CG PHE A 164 0.335 -18.608 20.182 1.00 8.50 C ATOM 1280 CD1 PHE A 164 1.391 -18.663 19.241 1.00 7.87 C ATOM 1281 CD2 PHE A 164 0.388 -19.484 21.262 1.00 9.27 C ATOM 1282 CE1 PHE A 164 2.465 -19.519 19.401 1.00 8.70 C ATOM 1283 CE2 PHE A 164 1.429 -20.374 21.434 1.00 8.07 C ATOM 1284 CZ PHE A 164 2.485 -20.411 20.525 1.00 8.61 C ATOM 0 H PHE A 164 -2.631 -15.630 21.200 1.00 9.51 H new ATOM 0 HA PHE A 164 -1.990 -18.231 21.505 1.00 8.77 H new ATOM 0 HB2 PHE A 164 -1.389 -17.937 19.272 1.00 7.96 H new ATOM 0 HB3 PHE A 164 -0.440 -16.767 19.675 1.00 7.96 H new ATOM 0 HD1 PHE A 164 1.362 -18.108 18.495 1.00 7.87 H new ATOM 0 HD2 PHE A 164 -0.300 -19.469 21.888 1.00 9.27 H new ATOM 0 HE1 PHE A 164 3.165 -19.517 18.789 1.00 8.70 H new ATOM 0 HE2 PHE A 164 1.426 -20.953 22.162 1.00 8.07 H new ATOM 0 HZ PHE A 164 3.191 -21.004 20.645 1.00 8.61 H new ATOM 1285 N ILE A 165 -1.041 -17.181 23.557 1.00 9.35 N ATOM 1286 CA ILE A 165 -0.428 -16.541 24.723 1.00 9.10 C ATOM 1287 C ILE A 165 0.160 -17.560 25.708 1.00 9.50 C ATOM 1288 O ILE A 165 -0.186 -18.741 25.657 1.00 9.13 O ATOM 1289 CB ILE A 165 -1.453 -15.649 25.513 1.00 10.33 C ATOM 1290 CG1 ILE A 165 -2.549 -16.530 26.143 1.00 10.53 C ATOM 1291 CG2 ILE A 165 -2.065 -14.571 24.632 1.00 11.18 C ATOM 1292 CD1 ILE A 165 -3.495 -15.783 27.095 1.00 11.07 C ATOM 0 H ILE A 165 -1.509 -17.881 23.731 1.00 9.35 H new ATOM 0 HA ILE A 165 0.283 -15.989 24.362 1.00 9.10 H new ATOM 0 HB ILE A 165 -0.968 -15.196 26.221 1.00 10.33 H new ATOM 0 HG12 ILE A 165 -3.074 -16.932 25.433 1.00 10.53 H new ATOM 0 HG13 ILE A 165 -2.126 -17.256 26.628 1.00 10.53 H new ATOM 0 HG21 ILE A 165 -2.690 -14.043 25.153 1.00 11.18 H new ATOM 0 HG22 ILE A 165 -1.363 -13.996 24.290 1.00 11.18 H new ATOM 0 HG23 ILE A 165 -2.533 -14.986 23.890 1.00 11.18 H new ATOM 0 HD11 ILE A 165 -4.153 -16.402 27.449 1.00 11.07 H new ATOM 0 HD12 ILE A 165 -2.984 -15.402 27.826 1.00 11.07 H new ATOM 0 HD13 ILE A 165 -3.946 -15.073 26.612 1.00 11.07 H new ATOM 1293 N ARG A 166 0.993 -17.061 26.653 1.00 8.60 N ATOM 1294 CA ARG A 166 1.215 -17.746 27.935 1.00 9.17 C ATOM 1295 C ARG A 166 0.432 -16.888 28.918 1.00 8.64 C ATOM 1296 O ARG A 166 0.790 -15.753 29.147 1.00 10.51 O ATOM 1297 CB ARG A 166 2.712 -17.777 28.313 1.00 8.64 C ATOM 1298 CG ARG A 166 2.929 -18.368 29.673 1.00 9.88 C ATOM 1299 CD ARG A 166 4.437 -18.441 30.053 1.00 12.42 C ATOM 1300 NE ARG A 166 4.619 -18.989 31.412 1.00 15.64 N ATOM 1301 CZ ARG A 166 4.931 -20.230 31.726 1.00 22.89 C ATOM 1302 NH1 ARG A 166 5.093 -20.494 33.032 1.00 28.39 N ATOM 1303 NH2 ARG A 166 5.055 -21.218 30.811 1.00 20.80 N ATOM 0 H ARG A 166 1.434 -16.328 26.563 1.00 8.60 H new ATOM 0 HA ARG A 166 0.936 -18.675 27.918 1.00 9.17 H new ATOM 0 HB2 ARG A 166 3.202 -18.293 27.654 1.00 8.64 H new ATOM 0 HB3 ARG A 166 3.070 -16.876 28.291 1.00 8.64 H new ATOM 0 HG2 ARG A 166 2.457 -17.837 30.333 1.00 9.88 H new ATOM 0 HG3 ARG A 166 2.547 -19.259 29.700 1.00 9.88 H new ATOM 0 HD2 ARG A 166 4.908 -18.996 29.412 1.00 12.42 H new ATOM 0 HD3 ARG A 166 4.829 -17.555 30.004 1.00 12.42 H new ATOM 0 HE ARG A 166 4.510 -18.442 32.066 1.00 15.64 H new ATOM 0 HH11 ARG A 166 4.993 -19.868 33.613 1.00 28.39 H new ATOM 0 HH12 ARG A 166 5.297 -21.289 33.288 1.00 28.39 H new ATOM 0 HH21 ARG A 166 4.928 -21.050 29.977 1.00 20.80 H new ATOM 0 HH22 ARG A 166 5.261 -22.014 31.063 1.00 20.80 H new ATOM 1304 N PRO A 167 -0.638 -17.409 29.538 1.00 8.71 N ATOM 1305 CA PRO A 167 -1.403 -16.558 30.483 1.00 10.39 C ATOM 1306 C PRO A 167 -0.461 -16.168 31.614 1.00 11.29 C ATOM 1307 O PRO A 167 0.333 -16.973 32.101 1.00 12.75 O ATOM 1308 CB PRO A 167 -2.502 -17.490 30.990 1.00 8.50 C ATOM 1309 CG PRO A 167 -2.654 -18.553 29.848 1.00 10.46 C ATOM 1310 CD PRO A 167 -1.196 -18.764 29.384 1.00 9.48 C ATOM 0 HA PRO A 167 -1.767 -15.745 30.099 1.00 10.39 H new ATOM 0 HB2 PRO A 167 -2.256 -17.905 31.831 1.00 8.50 H new ATOM 0 HB3 PRO A 167 -3.332 -17.011 31.142 1.00 8.50 H new ATOM 0 HG2 PRO A 167 -3.052 -19.376 30.173 1.00 10.46 H new ATOM 0 HG3 PRO A 167 -3.218 -18.230 29.128 1.00 10.46 H new ATOM 0 HD2 PRO A 167 -0.730 -19.415 29.931 1.00 9.48 H new ATOM 0 HD3 PRO A 167 -1.147 -19.077 28.467 1.00 9.48 H new ATOM 1311 N SER A 168 -0.511 -14.904 32.057 1.00 11.41 N ATOM 1312 CA ASER A 168 0.398 -14.413 33.104 0.50 13.00 C ATOM 1313 CA BSER A 168 0.448 -14.483 33.087 0.50 13.13 C ATOM 1314 C SER A 168 -0.069 -14.659 34.509 1.00 14.17 C ATOM 1315 O SER A 168 0.724 -14.592 35.460 1.00 16.72 O ATOM 1316 CB ASER A 168 0.581 -12.897 32.961 0.50 14.12 C ATOM 1317 CB BSER A 168 0.861 -13.017 32.874 0.50 14.72 C ATOM 1318 OG ASER A 168 1.353 -12.661 31.821 0.50 16.09 O ATOM 1319 OG BSER A 168 -0.258 -12.199 33.074 0.50 17.03 O ATOM 0 H ASER A 168 -1.065 -14.315 31.764 0.50 11.41 H new ATOM 0 H BSER A 168 -1.064 -14.302 31.790 0.50 11.41 H new ATOM 0 HA ASER A 168 1.220 -14.911 32.971 0.50 13.13 H new ATOM 0 HA BSER A 168 1.216 -15.068 32.987 0.50 13.13 H new ATOM 0 HB2ASER A 168 -0.280 -12.457 32.884 0.50 14.72 H new ATOM 0 HB2BSER A 168 1.569 -12.774 33.491 0.50 14.72 H new ATOM 0 HB3ASER A 168 1.017 -12.532 33.747 0.50 14.72 H new ATOM 0 HB3BSER A 168 1.211 -12.894 31.978 0.50 14.72 H new ATOM 0 HG ASER A 168 2.023 -13.167 31.826 0.50 17.03 H new ATOM 0 HG BSER A 168 -0.017 -11.394 33.093 0.50 17.03 H new ATOM 1320 N ASN A 169 -1.357 -14.854 34.658 1.00 13.47 N ATOM 1321 CA ASN A 169 -1.976 -14.886 36.003 1.00 14.15 C ATOM 1322 C ASN A 169 -3.425 -15.337 35.854 1.00 14.17 C ATOM 1323 O ASN A 169 -3.892 -15.600 34.722 1.00 13.16 O ATOM 1324 CB ASN A 169 -1.878 -13.499 36.674 1.00 15.15 C ATOM 1325 CG ASN A 169 -2.505 -12.385 35.832 1.00 17.01 C ATOM 1326 OD1 ASN A 169 -3.525 -12.586 35.156 1.00 15.27 O ATOM 1327 ND2 ASN A 169 -1.860 -11.218 35.809 1.00 20.74 N ATOM 0 H ASN A 169 -1.907 -14.972 34.007 1.00 13.47 H new ATOM 0 HA ASN A 169 -1.506 -15.512 36.576 1.00 14.15 H new ATOM 0 HB2 ASN A 169 -2.317 -13.531 37.538 1.00 15.15 H new ATOM 0 HB3 ASN A 169 -0.945 -13.289 36.837 1.00 15.15 H new ATOM 0 HD21 ASN A 169 -2.149 -10.576 35.315 1.00 20.74 H new ATOM 0 HD22 ASN A 169 -1.155 -11.107 36.289 1.00 20.74 H new ATOM 1328 N VAL A 170 -4.137 -15.426 36.958 1.00 14.52 N ATOM 1329 CA VAL A 170 -5.483 -15.951 36.942 1.00 15.75 C ATOM 1330 C VAL A 170 -6.441 -15.048 36.151 1.00 13.69 C ATOM 1331 O VAL A 170 -7.274 -15.555 35.377 1.00 14.37 O ATOM 1332 CB VAL A 170 -5.985 -16.184 38.381 1.00 16.84 C ATOM 1333 CG1 VAL A 170 -7.531 -16.335 38.367 1.00 19.10 C ATOM 1334 CG2 VAL A 170 -5.340 -17.452 38.873 1.00 18.41 C ATOM 0 H VAL A 170 -3.856 -15.185 37.734 1.00 14.52 H new ATOM 0 HA VAL A 170 -5.464 -16.806 36.483 1.00 15.75 H new ATOM 0 HB VAL A 170 -5.758 -15.441 38.961 1.00 16.84 H new ATOM 0 HG11 VAL A 170 -7.850 -16.482 39.271 1.00 19.10 H new ATOM 0 HG12 VAL A 170 -7.932 -15.527 38.010 1.00 19.10 H new ATOM 0 HG13 VAL A 170 -7.778 -17.091 37.811 1.00 19.10 H new ATOM 0 HG21 VAL A 170 -5.633 -17.633 39.780 1.00 18.41 H new ATOM 0 HG22 VAL A 170 -5.596 -18.190 38.298 1.00 18.41 H new ATOM 0 HG23 VAL A 170 -4.375 -17.351 38.859 1.00 18.41 H new ATOM 1335 N THR A 171 -6.288 -13.726 36.263 1.00 14.85 N ATOM 1336 CA THR A 171 -7.117 -12.807 35.501 1.00 14.15 C ATOM 1337 C THR A 171 -6.995 -13.088 34.005 1.00 13.13 C ATOM 1338 O THR A 171 -8.001 -13.136 33.319 1.00 11.92 O ATOM 1339 CB THR A 171 -6.677 -11.364 35.811 1.00 15.88 C ATOM 1340 OG1 THR A 171 -6.872 -11.161 37.223 1.00 19.31 O ATOM 1341 CG2 THR A 171 -7.525 -10.344 35.080 1.00 18.01 C ATOM 0 H THR A 171 -5.710 -13.348 36.775 1.00 14.85 H new ATOM 0 HA THR A 171 -8.046 -12.927 35.753 1.00 14.15 H new ATOM 0 HB THR A 171 -5.755 -11.249 35.532 1.00 15.88 H new ATOM 0 HG1 THR A 171 -6.240 -11.516 37.647 1.00 19.31 H new ATOM 0 HG21 THR A 171 -7.218 -9.450 35.300 1.00 18.01 H new ATOM 0 HG22 THR A 171 -7.449 -10.485 34.123 1.00 18.01 H new ATOM 0 HG23 THR A 171 -8.452 -10.442 35.348 1.00 18.01 H new ATOM 1342 N GLU A 172 -5.765 -13.268 33.535 1.00 12.09 N ATOM 1343 CA GLU A 172 -5.572 -13.637 32.102 1.00 9.64 C ATOM 1344 C GLU A 172 -6.140 -14.995 31.706 1.00 12.50 C ATOM 1345 O GLU A 172 -6.710 -15.127 30.620 1.00 11.30 O ATOM 1346 CB GLU A 172 -4.092 -13.546 31.682 1.00 10.62 C ATOM 1347 CG GLU A 172 -3.634 -12.103 31.690 1.00 12.35 C ATOM 1348 CD GLU A 172 -2.335 -11.902 30.945 1.00 11.86 C ATOM 1349 OE1 GLU A 172 -1.993 -10.738 30.656 1.00 14.73 O ATOM 1350 OE2 GLU A 172 -1.675 -12.895 30.600 1.00 13.53 O ATOM 0 H GLU A 172 -5.044 -13.189 33.996 1.00 12.09 H new ATOM 0 HA GLU A 172 -6.091 -12.976 31.618 1.00 9.64 H new ATOM 0 HB2 GLU A 172 -3.544 -14.070 32.288 1.00 10.62 H new ATOM 0 HB3 GLU A 172 -3.976 -13.924 30.796 1.00 10.62 H new ATOM 0 HG2 GLU A 172 -4.321 -11.547 31.291 1.00 12.35 H new ATOM 0 HG3 GLU A 172 -3.526 -11.806 32.607 1.00 12.35 H new ATOM 1351 N GLU A 173 -5.991 -15.992 32.579 1.00 10.38 N ATOM 1352 CA GLU A 173 -6.593 -17.313 32.298 1.00 10.06 C ATOM 1353 C GLU A 173 -8.081 -17.122 32.076 1.00 10.73 C ATOM 1354 O GLU A 173 -8.679 -17.676 31.151 1.00 10.59 O ATOM 1355 CB GLU A 173 -6.355 -18.274 33.453 1.00 10.35 C ATOM 1356 CG GLU A 173 -4.874 -18.676 33.581 1.00 10.55 C ATOM 1357 CD GLU A 173 -4.639 -19.669 34.727 1.00 17.39 C ATOM 1358 OE1 GLU A 173 -5.593 -20.181 35.329 1.00 19.28 O ATOM 1359 OE2 GLU A 173 -3.447 -19.921 35.087 1.00 21.98 O ATOM 0 H GLU A 173 -5.560 -15.936 33.321 1.00 10.38 H new ATOM 0 HA GLU A 173 -6.182 -17.695 31.507 1.00 10.06 H new ATOM 0 HB2 GLU A 173 -6.649 -17.862 34.280 1.00 10.35 H new ATOM 0 HB3 GLU A 173 -6.894 -19.070 33.325 1.00 10.35 H new ATOM 0 HG2 GLU A 173 -4.575 -19.071 32.747 1.00 10.55 H new ATOM 0 HG3 GLU A 173 -4.337 -17.882 33.728 1.00 10.55 H new ATOM 1360 N GLU A 174 -8.723 -16.374 32.986 1.00 12.53 N ATOM 1361 CA GLU A 174 -10.168 -16.218 32.916 1.00 12.35 C ATOM 1362 C GLU A 174 -10.569 -15.357 31.719 1.00 11.42 C ATOM 1363 O GLU A 174 -11.613 -15.625 31.088 1.00 11.87 O ATOM 1364 CB GLU A 174 -10.729 -15.658 34.228 1.00 15.34 C ATOM 1365 CG GLU A 174 -10.485 -16.678 35.316 1.00 16.31 C ATOM 1366 CD GLU A 174 -11.093 -16.324 36.678 1.00 20.40 C ATOM 1367 OE1 GLU A 174 -11.210 -17.269 37.487 1.00 23.17 O ATOM 1368 OE2 GLU A 174 -11.397 -15.149 36.955 1.00 21.36 O ATOM 0 H GLU A 174 -8.342 -15.960 33.636 1.00 12.53 H new ATOM 0 HA GLU A 174 -10.558 -17.097 32.787 1.00 12.35 H new ATOM 0 HB2 GLU A 174 -10.298 -14.817 34.449 1.00 15.34 H new ATOM 0 HB3 GLU A 174 -11.678 -15.476 34.141 1.00 15.34 H new ATOM 0 HG2 GLU A 174 -10.844 -17.532 35.028 1.00 16.31 H new ATOM 0 HG3 GLU A 174 -9.528 -16.795 35.424 1.00 16.31 H new ATOM 1369 N ARG A 175 -9.741 -14.360 31.403 1.00 11.97 N ATOM 1370 CA ARG A 175 -9.995 -13.528 30.225 1.00 11.30 C ATOM 1371 C ARG A 175 -9.947 -14.368 28.937 1.00 11.68 C ATOM 1372 O ARG A 175 -10.785 -14.176 28.033 1.00 11.30 O ATOM 1373 CB ARG A 175 -9.026 -12.359 30.186 1.00 12.43 C ATOM 1374 CG ARG A 175 -9.230 -11.425 29.001 1.00 15.73 C ATOM 1375 CD ARG A 175 -8.210 -10.259 29.015 1.00 18.45 C ATOM 1376 NE ARG A 175 -8.308 -9.533 30.263 1.00 18.84 N ATOM 1377 CZ ARG A 175 -7.267 -8.972 30.874 1.00 23.15 C ATOM 1378 NH1 ARG A 175 -6.053 -9.034 30.347 1.00 21.07 N ATOM 1379 NH2 ARG A 175 -7.463 -8.335 32.022 1.00 25.49 N ATOM 0 H ARG A 175 -9.037 -14.151 31.850 1.00 11.97 H new ATOM 0 HA ARG A 175 -10.891 -13.162 30.287 1.00 11.30 H new ATOM 0 HB2 ARG A 175 -9.115 -11.850 31.007 1.00 12.43 H new ATOM 0 HB3 ARG A 175 -8.119 -12.703 30.163 1.00 12.43 H new ATOM 0 HG2 ARG A 175 -9.141 -11.925 28.174 1.00 15.73 H new ATOM 0 HG3 ARG A 175 -10.132 -11.068 29.020 1.00 15.73 H new ATOM 0 HD2 ARG A 175 -7.311 -10.604 28.902 1.00 18.45 H new ATOM 0 HD3 ARG A 175 -8.380 -9.661 28.270 1.00 18.45 H new ATOM 0 HE ARG A 175 -9.082 -9.460 30.630 1.00 18.84 H new ATOM 0 HH11 ARG A 175 -5.929 -9.441 29.600 1.00 21.07 H new ATOM 0 HH12 ARG A 175 -5.389 -8.667 30.752 1.00 21.07 H new ATOM 0 HH21 ARG A 175 -8.253 -8.290 32.359 1.00 25.49 H new ATOM 0 HH22 ARG A 175 -6.800 -7.968 32.428 1.00 25.49 H new ATOM 1380 N PHE A 176 -8.955 -15.248 28.846 1.00 10.09 N ATOM 1381 CA PHE A 176 -8.853 -16.125 27.716 1.00 9.68 C ATOM 1382 C PHE A 176 -10.063 -17.035 27.597 1.00 9.97 C ATOM 1383 O PHE A 176 -10.642 -17.207 26.513 1.00 9.41 O ATOM 1384 CB PHE A 176 -7.532 -16.942 27.817 1.00 9.02 C ATOM 1385 CG PHE A 176 -7.354 -17.924 26.673 1.00 9.25 C ATOM 1386 CD1 PHE A 176 -7.929 -19.171 26.738 1.00 10.73 C ATOM 1387 CD2 PHE A 176 -6.574 -17.597 25.598 1.00 11.23 C ATOM 1388 CE1 PHE A 176 -7.791 -20.059 25.640 1.00 11.29 C ATOM 1389 CE2 PHE A 176 -6.414 -18.482 24.543 1.00 13.56 C ATOM 1390 CZ PHE A 176 -6.982 -19.715 24.603 1.00 8.35 C ATOM 0 H PHE A 176 -8.336 -15.344 29.435 1.00 10.09 H new ATOM 0 HA PHE A 176 -8.833 -15.590 26.907 1.00 9.68 H new ATOM 0 HB2 PHE A 176 -6.779 -16.330 27.832 1.00 9.02 H new ATOM 0 HB3 PHE A 176 -7.520 -17.426 28.657 1.00 9.02 H new ATOM 0 HD1 PHE A 176 -8.404 -19.430 27.494 1.00 10.73 H new ATOM 0 HD2 PHE A 176 -6.146 -16.772 25.575 1.00 11.23 H new ATOM 0 HE1 PHE A 176 -8.249 -20.868 25.630 1.00 11.29 H new ATOM 0 HE2 PHE A 176 -5.919 -18.232 23.796 1.00 13.56 H new ATOM 0 HZ PHE A 176 -6.815 -20.331 23.926 1.00 8.35 H new ATOM 1391 N VAL A 177 -10.436 -17.683 28.704 1.00 10.82 N ATOM 1392 CA VAL A 177 -11.603 -18.599 28.682 1.00 9.82 C ATOM 1393 C VAL A 177 -12.865 -17.855 28.276 1.00 10.31 C ATOM 1394 O VAL A 177 -13.652 -18.353 27.448 1.00 10.20 O ATOM 1395 CB VAL A 177 -11.788 -19.338 30.006 1.00 11.61 C ATOM 1396 CG1 VAL A 177 -13.100 -20.111 29.987 1.00 12.52 C ATOM 1397 CG2 VAL A 177 -10.615 -20.279 30.237 1.00 13.48 C ATOM 0 H VAL A 177 -10.042 -17.614 29.466 1.00 10.82 H new ATOM 0 HA VAL A 177 -11.424 -19.278 28.013 1.00 9.82 H new ATOM 0 HB VAL A 177 -11.819 -18.696 30.733 1.00 11.61 H new ATOM 0 HG11 VAL A 177 -13.213 -20.578 30.830 1.00 12.52 H new ATOM 0 HG12 VAL A 177 -13.837 -19.494 29.859 1.00 12.52 H new ATOM 0 HG13 VAL A 177 -13.087 -20.754 29.261 1.00 12.52 H new ATOM 0 HG21 VAL A 177 -10.736 -20.746 31.078 1.00 13.48 H new ATOM 0 HG22 VAL A 177 -10.569 -20.923 29.513 1.00 13.48 H new ATOM 0 HG23 VAL A 177 -9.791 -19.768 30.267 1.00 13.48 H new ATOM 1398 N GLN A 178 -13.016 -16.631 28.760 1.00 10.47 N ATOM 1399 CA GLN A 178 -14.186 -15.852 28.367 1.00 11.69 C ATOM 1400 C GLN A 178 -14.172 -15.501 26.884 1.00 12.19 C ATOM 1401 O GLN A 178 -15.216 -15.521 26.234 1.00 12.76 O ATOM 1402 CB GLN A 178 -14.261 -14.549 29.200 1.00 14.34 C ATOM 1403 CG GLN A 178 -15.495 -13.676 28.863 1.00 16.29 C ATOM 1404 CD GLN A 178 -16.801 -14.387 29.101 1.00 19.67 C ATOM 1405 OE1 GLN A 178 -16.955 -14.948 30.292 1.00 25.31 O flip ATOM 1406 NE2 GLN A 178 -17.648 -14.521 28.174 1.00 23.97 N flip ATOM 0 H GLN A 178 -12.473 -16.240 29.300 1.00 10.47 H new ATOM 0 HA GLN A 178 -14.966 -16.403 28.537 1.00 11.69 H new ATOM 0 HB2 GLN A 178 -14.281 -14.776 30.143 1.00 14.34 H new ATOM 0 HB3 GLN A 178 -13.455 -14.030 29.050 1.00 14.34 H new ATOM 0 HG2 GLN A 178 -15.470 -12.868 29.399 1.00 16.29 H new ATOM 0 HG3 GLN A 178 -15.447 -13.401 27.934 1.00 16.29 H new ATOM 0 HE21 GLN A 178 -17.516 -14.143 27.413 1.00 23.97 H new ATOM 0 HE22 GLN A 178 -18.357 -14.990 28.304 1.00 23.97 H new ATOM 1407 N ARG A 179 -12.998 -15.191 26.343 1.00 11.31 N ATOM 1408 CA ARG A 179 -12.915 -14.952 24.907 1.00 11.47 C ATOM 1409 C ARG A 179 -13.279 -16.206 24.071 1.00 10.97 C ATOM 1410 O ARG A 179 -13.952 -16.110 23.023 1.00 9.76 O ATOM 1411 CB ARG A 179 -11.552 -14.315 24.540 1.00 13.41 C ATOM 1412 CG ARG A 179 -11.519 -13.801 23.067 1.00 15.68 C ATOM 1413 CD ARG A 179 -12.681 -12.873 22.642 1.00 22.11 C ATOM 1414 NE ARG A 179 -13.032 -11.847 23.645 1.00 28.22 N ATOM 1415 CZ ARG A 179 -12.544 -10.599 23.699 1.00 31.89 C ATOM 1416 NH1 ARG A 179 -11.649 -10.152 22.829 1.00 27.56 N ATOM 1417 NH2 ARG A 179 -12.959 -9.780 24.662 1.00 30.04 N ATOM 0 H ARG A 179 -12.258 -15.116 26.775 1.00 11.31 H new ATOM 0 HA ARG A 179 -13.595 -14.303 24.666 1.00 11.47 H new ATOM 0 HB2 ARG A 179 -11.369 -13.577 25.142 1.00 13.41 H new ATOM 0 HB3 ARG A 179 -10.846 -14.968 24.669 1.00 13.41 H new ATOM 0 HG2 ARG A 179 -10.684 -13.327 22.928 1.00 15.68 H new ATOM 0 HG3 ARG A 179 -11.511 -14.570 22.476 1.00 15.68 H new ATOM 0 HD2 ARG A 179 -12.442 -12.432 21.812 1.00 22.11 H new ATOM 0 HD3 ARG A 179 -13.465 -13.415 22.460 1.00 22.11 H new ATOM 0 HE ARG A 179 -13.601 -12.070 24.250 1.00 28.22 H new ATOM 0 HH11 ARG A 179 -11.362 -10.668 22.204 1.00 27.56 H new ATOM 0 HH12 ARG A 179 -11.355 -9.346 22.890 1.00 27.56 H new ATOM 0 HH21 ARG A 179 -13.534 -10.053 25.241 1.00 30.04 H new ATOM 0 HH22 ARG A 179 -12.652 -8.978 24.706 1.00 30.04 H new ATOM 1418 N VAL A 180 -12.892 -17.386 24.571 1.00 9.79 N ATOM 1419 CA VAL A 180 -13.245 -18.613 23.845 1.00 10.48 C ATOM 1420 C VAL A 180 -14.764 -18.843 23.921 1.00 10.78 C ATOM 1421 O VAL A 180 -15.416 -19.174 22.928 1.00 9.87 O ATOM 1422 CB VAL A 180 -12.519 -19.799 24.423 1.00 8.96 C ATOM 1423 CG1 VAL A 180 -13.043 -21.031 23.763 1.00 14.60 C ATOM 1424 CG2 VAL A 180 -10.990 -19.704 24.183 1.00 12.33 C ATOM 0 H VAL A 180 -12.444 -17.497 25.297 1.00 9.79 H new ATOM 0 HA VAL A 180 -12.980 -18.511 22.917 1.00 10.48 H new ATOM 0 HB VAL A 180 -12.668 -19.822 25.381 1.00 8.96 H new ATOM 0 HG11 VAL A 180 -12.588 -21.809 24.121 1.00 14.60 H new ATOM 0 HG12 VAL A 180 -13.995 -21.108 23.931 1.00 14.60 H new ATOM 0 HG13 VAL A 180 -12.887 -20.978 22.807 1.00 14.60 H new ATOM 0 HG21 VAL A 180 -10.553 -20.481 24.566 1.00 12.33 H new ATOM 0 HG22 VAL A 180 -10.813 -19.672 23.230 1.00 12.33 H new ATOM 0 HG23 VAL A 180 -10.646 -18.900 24.603 1.00 12.33 H new ATOM 1425 N VAL A 181 -15.366 -18.567 25.080 1.00 9.01 N ATOM 1426 CA VAL A 181 -16.824 -18.633 25.192 1.00 10.27 C ATOM 1427 C VAL A 181 -17.468 -17.656 24.225 1.00 10.70 C ATOM 1428 O VAL A 181 -18.471 -17.978 23.610 1.00 10.73 O ATOM 1429 CB VAL A 181 -17.195 -18.291 26.651 1.00 9.48 C ATOM 1430 CG1 VAL A 181 -18.750 -17.994 26.761 1.00 12.08 C ATOM 1431 CG2 VAL A 181 -16.817 -19.420 27.598 1.00 12.73 C ATOM 0 H VAL A 181 -14.956 -18.343 25.802 1.00 9.01 H new ATOM 0 HA VAL A 181 -17.147 -19.519 24.966 1.00 10.27 H new ATOM 0 HB VAL A 181 -16.695 -17.501 26.909 1.00 9.48 H new ATOM 0 HG11 VAL A 181 -18.975 -17.780 27.680 1.00 12.08 H new ATOM 0 HG12 VAL A 181 -18.977 -17.244 26.190 1.00 12.08 H new ATOM 0 HG13 VAL A 181 -19.250 -18.776 26.480 1.00 12.08 H new ATOM 0 HG21 VAL A 181 -17.061 -19.177 28.505 1.00 12.73 H new ATOM 0 HG22 VAL A 181 -17.288 -20.229 27.342 1.00 12.73 H new ATOM 0 HG23 VAL A 181 -15.861 -19.575 27.552 1.00 12.73 H new ATOM 1432 N ASP A 182 -16.940 -16.440 24.133 1.00 9.98 N ATOM 1433 CA ASP A 182 -17.490 -15.472 23.194 1.00 10.41 C ATOM 1434 C ASP A 182 -17.359 -15.932 21.743 1.00 10.23 C ATOM 1435 O ASP A 182 -18.328 -15.812 20.936 1.00 12.00 O ATOM 1436 CB ASP A 182 -16.796 -14.109 23.319 1.00 12.52 C ATOM 1437 CG ASP A 182 -17.021 -13.402 24.670 1.00 16.78 C ATOM 1438 OD1 ASP A 182 -17.980 -13.667 25.390 1.00 22.38 O ATOM 1439 OD2 ASP A 182 -16.177 -12.555 24.952 1.00 22.31 O ATOM 0 H ASP A 182 -16.273 -16.159 24.598 1.00 9.98 H new ATOM 0 HA ASP A 182 -18.429 -15.392 23.423 1.00 10.41 H new ATOM 0 HB2 ASP A 182 -15.843 -14.230 23.184 1.00 12.52 H new ATOM 0 HB3 ASP A 182 -17.112 -13.531 22.607 1.00 12.52 H new ATOM 1440 N PHE A 183 -16.207 -16.525 21.399 1.00 8.56 N ATOM 1441 CA PHE A 183 -16.065 -17.050 20.023 1.00 8.46 C ATOM 1442 C PHE A 183 -17.129 -18.155 19.747 1.00 9.94 C ATOM 1443 O PHE A 183 -17.725 -18.164 18.673 1.00 9.23 O ATOM 1444 CB PHE A 183 -14.679 -17.755 19.887 1.00 9.18 C ATOM 1445 CG PHE A 183 -13.461 -16.871 19.726 1.00 8.81 C ATOM 1446 CD1 PHE A 183 -13.527 -15.453 19.766 1.00 12.42 C ATOM 1447 CD2 PHE A 183 -12.249 -17.497 19.593 1.00 9.79 C ATOM 1448 CE1 PHE A 183 -12.369 -14.668 19.630 1.00 13.72 C ATOM 1449 CE2 PHE A 183 -11.073 -16.733 19.492 1.00 9.67 C ATOM 1450 CZ PHE A 183 -11.116 -15.277 19.487 1.00 10.97 C ATOM 0 H PHE A 183 -15.526 -16.632 21.914 1.00 8.56 H new ATOM 0 HA PHE A 183 -16.166 -16.306 19.408 1.00 8.46 H new ATOM 0 HB2 PHE A 183 -14.546 -18.309 20.672 1.00 9.18 H new ATOM 0 HB3 PHE A 183 -14.720 -18.351 19.123 1.00 9.18 H new ATOM 0 HD1 PHE A 183 -14.350 -15.037 19.884 1.00 12.42 H new ATOM 0 HD2 PHE A 183 -12.205 -18.426 19.570 1.00 9.79 H new ATOM 0 HE1 PHE A 183 -12.435 -13.740 19.635 1.00 13.72 H new ATOM 0 HE2 PHE A 183 -10.252 -17.165 19.427 1.00 9.67 H new ATOM 0 HZ PHE A 183 -10.341 -14.771 19.392 1.00 10.97 H new ATOM 1451 N LEU A 184 -17.324 -19.050 20.717 1.00 8.23 N ATOM 1452 CA LEU A 184 -18.302 -20.132 20.582 1.00 10.25 C ATOM 1453 C LEU A 184 -19.716 -19.579 20.453 1.00 10.21 C ATOM 1454 O LEU A 184 -20.532 -20.120 19.693 1.00 11.01 O ATOM 1455 CB LEU A 184 -18.221 -21.177 21.729 1.00 10.17 C ATOM 1456 CG LEU A 184 -16.933 -22.031 21.705 1.00 10.39 C ATOM 1457 CD1 LEU A 184 -16.820 -22.742 23.039 1.00 10.24 C ATOM 1458 CD2 LEU A 184 -17.067 -23.027 20.561 1.00 12.71 C ATOM 0 H LEU A 184 -16.898 -19.048 21.464 1.00 8.23 H new ATOM 0 HA LEU A 184 -18.074 -20.602 19.765 1.00 10.25 H new ATOM 0 HB2 LEU A 184 -18.277 -20.715 22.580 1.00 10.17 H new ATOM 0 HB3 LEU A 184 -18.990 -21.765 21.674 1.00 10.17 H new ATOM 0 HG LEU A 184 -16.136 -21.494 21.569 1.00 10.39 H new ATOM 0 HD11 LEU A 184 -16.017 -23.286 23.049 1.00 10.24 H new ATOM 0 HD12 LEU A 184 -16.775 -22.086 23.752 1.00 10.24 H new ATOM 0 HD13 LEU A 184 -17.596 -23.309 23.170 1.00 10.24 H new ATOM 0 HD21 LEU A 184 -16.272 -23.580 20.519 1.00 12.71 H new ATOM 0 HD22 LEU A 184 -17.844 -23.589 20.710 1.00 12.71 H new ATOM 0 HD23 LEU A 184 -17.171 -22.547 19.724 1.00 12.71 H new ATOM 1459 N GLN A 185 -20.019 -18.529 21.223 1.00 10.07 N ATOM 1460 CA GLN A 185 -21.359 -17.900 21.166 1.00 9.80 C ATOM 1461 C GLN A 185 -21.624 -17.307 19.789 1.00 10.52 C ATOM 1462 O GLN A 185 -22.677 -17.526 19.180 1.00 12.56 O ATOM 1463 CB GLN A 185 -21.504 -16.825 22.263 1.00 12.43 C ATOM 1464 CG GLN A 185 -21.712 -17.311 23.664 1.00 18.97 C ATOM 1465 CD GLN A 185 -21.952 -16.143 24.639 1.00 25.38 C ATOM 1466 OE1 GLN A 185 -21.872 -14.897 24.135 1.00 35.48 O flip ATOM 1467 NE2 GLN A 185 -22.200 -16.363 25.825 1.00 27.44 N flip ATOM 0 H GLN A 185 -19.475 -18.165 21.781 1.00 10.07 H new ATOM 0 HA GLN A 185 -22.022 -18.589 21.327 1.00 9.80 H new ATOM 0 HB2 GLN A 185 -20.708 -16.272 22.251 1.00 12.43 H new ATOM 0 HB3 GLN A 185 -22.251 -16.253 22.028 1.00 12.43 H new ATOM 0 HG2 GLN A 185 -22.471 -17.915 23.689 1.00 18.97 H new ATOM 0 HG3 GLN A 185 -20.936 -17.818 23.950 1.00 18.97 H new ATOM 0 HE21 GLN A 185 -22.243 -17.172 26.112 1.00 27.44 H new ATOM 0 HE22 GLN A 185 -22.330 -15.707 26.366 1.00 27.44 H new ATOM 1468 N ILE A 186 -20.621 -16.570 19.257 1.00 10.41 N ATOM 1469 CA ILE A 186 -20.723 -16.023 17.917 1.00 11.01 C ATOM 1470 C ILE A 186 -20.858 -17.134 16.879 1.00 11.03 C ATOM 1471 O ILE A 186 -21.736 -17.101 15.991 1.00 10.77 O ATOM 1472 CB ILE A 186 -19.486 -15.147 17.568 1.00 11.62 C ATOM 1473 CG1 ILE A 186 -19.450 -13.879 18.442 1.00 11.46 C ATOM 1474 CG2 ILE A 186 -19.439 -14.839 16.045 1.00 9.60 C ATOM 1475 CD1 ILE A 186 -18.106 -13.093 18.393 1.00 13.36 C ATOM 0 H ILE A 186 -19.887 -16.386 19.665 1.00 10.41 H new ATOM 0 HA ILE A 186 -21.519 -15.468 17.897 1.00 11.01 H new ATOM 0 HB ILE A 186 -18.679 -15.645 17.772 1.00 11.62 H new ATOM 0 HG12 ILE A 186 -20.167 -13.288 18.163 1.00 11.46 H new ATOM 0 HG13 ILE A 186 -19.631 -14.129 19.361 1.00 11.46 H new ATOM 0 HG21 ILE A 186 -18.662 -14.293 15.849 1.00 9.60 H new ATOM 0 HG22 ILE A 186 -19.383 -15.670 15.548 1.00 9.60 H new ATOM 0 HG23 ILE A 186 -20.243 -14.362 15.786 1.00 9.60 H new ATOM 0 HD11 ILE A 186 -18.166 -12.313 18.967 1.00 13.36 H new ATOM 0 HD12 ILE A 186 -17.385 -13.665 18.699 1.00 13.36 H new ATOM 0 HD13 ILE A 186 -17.929 -12.810 17.482 1.00 13.36 H new ATOM 1476 N HIS A 187 -20.015 -18.168 17.006 1.00 8.44 N ATOM 1477 CA HIS A 187 -19.984 -19.260 16.040 1.00 10.11 C ATOM 1478 C HIS A 187 -21.335 -20.053 16.028 1.00 9.93 C ATOM 1479 O HIS A 187 -21.899 -20.345 14.967 1.00 9.79 O ATOM 1480 CB HIS A 187 -18.812 -20.149 16.435 1.00 9.83 C ATOM 1481 CG HIS A 187 -18.410 -21.150 15.399 1.00 8.80 C ATOM 1482 ND1 HIS A 187 -18.295 -20.827 14.064 1.00 8.40 N ATOM 1483 CD2 HIS A 187 -17.992 -22.448 15.510 1.00 8.55 C ATOM 1484 CE1 HIS A 187 -17.831 -21.883 13.398 1.00 8.82 C ATOM 1485 NE2 HIS A 187 -17.679 -22.885 14.248 1.00 9.48 N ATOM 0 H HIS A 187 -19.452 -18.250 17.651 1.00 8.44 H new ATOM 0 HA HIS A 187 -19.871 -18.923 15.137 1.00 10.11 H new ATOM 0 HB2 HIS A 187 -18.048 -19.586 16.637 1.00 9.83 H new ATOM 0 HB3 HIS A 187 -19.040 -20.620 17.251 1.00 9.83 H new ATOM 0 HD2 HIS A 187 -17.931 -22.942 16.295 1.00 8.55 H new ATOM 0 HE1 HIS A 187 -17.645 -21.911 12.487 1.00 8.82 H new ATOM 0 HE2 HIS A 187 -17.425 -23.681 14.043 1.00 9.48 H new ATOM 1486 N CYS A 188 -21.856 -20.392 17.208 1.00 10.96 N ATOM 1487 CA CYS A 188 -23.101 -21.219 17.234 1.00 12.02 C ATOM 1488 C CYS A 188 -24.237 -20.335 16.705 1.00 10.82 C ATOM 1489 O CYS A 188 -25.135 -20.807 15.987 1.00 10.96 O ATOM 1490 CB CYS A 188 -23.368 -21.668 18.672 1.00 12.79 C ATOM 1491 SG CYS A 188 -22.224 -23.092 19.125 1.00 18.73 S ATOM 0 H CYS A 188 -21.535 -20.174 17.976 1.00 10.96 H new ATOM 0 HA CYS A 188 -23.023 -22.015 16.685 1.00 12.02 H new ATOM 0 HB2 CYS A 188 -23.230 -20.926 19.281 1.00 12.79 H new ATOM 0 HB3 CYS A 188 -24.293 -21.944 18.766 1.00 12.79 H new ATOM 0 HG CYS A 188 -21.172 -22.656 19.504 1.00 18.73 H new ATOM 1492 N HIS A 189 -24.196 -19.017 16.955 1.00 11.27 N ATOM 1493 CA HIS A 189 -25.257 -18.191 16.421 1.00 11.51 C ATOM 1494 C HIS A 189 -25.186 -18.087 14.907 1.00 11.55 C ATOM 1495 O HIS A 189 -26.198 -18.279 14.178 1.00 12.16 O ATOM 1496 CB HIS A 189 -25.190 -16.768 16.990 1.00 12.53 C ATOM 1497 CG HIS A 189 -26.250 -15.891 16.422 1.00 14.87 C ATOM 1498 ND1 HIS A 189 -27.572 -16.019 16.814 1.00 17.34 N ATOM 1499 CD2 HIS A 189 -26.229 -14.957 15.448 1.00 15.69 C ATOM 1500 CE1 HIS A 189 -28.317 -15.170 16.119 1.00 16.19 C ATOM 1501 NE2 HIS A 189 -27.535 -14.516 15.288 1.00 15.67 N ATOM 0 H HIS A 189 -23.590 -18.609 17.409 1.00 11.27 H new ATOM 0 HA HIS A 189 -26.088 -18.620 16.680 1.00 11.51 H new ATOM 0 HB2 HIS A 189 -25.282 -16.802 17.955 1.00 12.53 H new ATOM 0 HB3 HIS A 189 -24.319 -16.385 16.801 1.00 12.53 H new ATOM 0 HD2 HIS A 189 -25.483 -14.665 14.975 1.00 15.69 H new ATOM 0 HE1 HIS A 189 -29.236 -15.056 16.205 1.00 16.19 H new ATOM 0 HE2 HIS A 189 -27.792 -13.911 14.733 1.00 15.67 H new ATOM 1502 N GLN A 190 -23.969 -17.820 14.421 1.00 10.54 N ATOM 1503 CA GLN A 190 -23.834 -17.739 12.948 1.00 11.12 C ATOM 1504 C GLN A 190 -24.215 -19.074 12.297 1.00 11.38 C ATOM 1505 O GLN A 190 -24.718 -19.049 11.147 1.00 11.97 O ATOM 1506 CB GLN A 190 -22.398 -17.339 12.551 1.00 11.73 C ATOM 1507 CG GLN A 190 -22.039 -15.886 12.939 1.00 13.56 C ATOM 1508 CD GLN A 190 -22.998 -14.880 12.335 1.00 18.66 C ATOM 1509 OE1 GLN A 190 -23.213 -15.017 11.078 1.00 21.86 O flip ATOM 1510 NE2 GLN A 190 -23.525 -13.997 13.017 1.00 14.16 N flip ATOM 0 H GLN A 190 -23.254 -17.690 14.881 1.00 10.54 H new ATOM 0 HA GLN A 190 -24.442 -17.055 12.627 1.00 11.12 H new ATOM 0 HB2 GLN A 190 -21.771 -17.945 12.976 1.00 11.73 H new ATOM 0 HB3 GLN A 190 -22.292 -17.447 11.593 1.00 11.73 H new ATOM 0 HG2 GLN A 190 -22.048 -15.799 13.905 1.00 13.56 H new ATOM 0 HG3 GLN A 190 -21.136 -15.688 12.644 1.00 13.56 H new ATOM 0 HE21 GLN A 190 -23.352 -13.942 13.858 1.00 14.16 H new ATOM 0 HE22 GLN A 190 -24.065 -13.436 12.652 1.00 14.16 H new ATOM 1511 N SER A 191 -24.020 -20.221 12.963 1.00 11.64 N ATOM 1512 CA SER A 191 -24.422 -21.490 12.370 1.00 13.12 C ATOM 1513 C SER A 191 -25.947 -21.589 12.098 1.00 13.02 C ATOM 1514 O SER A 191 -26.348 -22.312 11.172 1.00 17.24 O ATOM 1515 CB SER A 191 -23.941 -22.678 13.236 1.00 13.97 C ATOM 1516 OG SER A 191 -24.683 -22.846 14.422 1.00 16.24 O ATOM 0 H SER A 191 -23.663 -20.280 13.743 1.00 11.64 H new ATOM 0 HA SER A 191 -23.989 -21.533 11.503 1.00 13.12 H new ATOM 0 HB2 SER A 191 -23.993 -23.493 12.712 1.00 13.97 H new ATOM 0 HB3 SER A 191 -23.007 -22.546 13.463 1.00 13.97 H new ATOM 0 HG SER A 191 -24.769 -22.104 14.806 1.00 16.24 H new ATOM 1517 N ILE A 192 -26.777 -20.850 12.875 1.00 12.77 N ATOM 1518 CA ILE A 192 -28.220 -20.907 12.735 1.00 14.17 C ATOM 1519 C ILE A 192 -28.576 -20.029 11.521 1.00 15.11 C ATOM 1520 O ILE A 192 -29.511 -20.361 10.783 1.00 17.51 O ATOM 1521 CB ILE A 192 -28.964 -20.310 14.009 1.00 13.08 C ATOM 1522 CG1 ILE A 192 -28.735 -21.122 15.246 1.00 16.91 C ATOM 1523 CG2 ILE A 192 -30.534 -20.006 13.652 1.00 15.04 C ATOM 1524 CD1 ILE A 192 -29.283 -20.386 16.464 1.00 19.94 C ATOM 0 H ILE A 192 -26.504 -20.312 13.488 1.00 12.77 H new ATOM 0 HA ILE A 192 -28.498 -21.831 12.633 1.00 14.17 H new ATOM 0 HB ILE A 192 -28.569 -19.453 14.234 1.00 13.08 H new ATOM 0 HG12 ILE A 192 -29.168 -21.986 15.159 1.00 16.91 H new ATOM 0 HG13 ILE A 192 -27.787 -21.290 15.360 1.00 16.91 H new ATOM 0 HG21 ILE A 192 -30.979 -19.643 14.433 1.00 15.04 H new ATOM 0 HG22 ILE A 192 -30.583 -19.365 12.926 1.00 15.04 H new ATOM 0 HG23 ILE A 192 -30.971 -20.830 13.385 1.00 15.04 H new ATOM 0 HD11 ILE A 192 -29.130 -20.919 17.260 1.00 19.94 H new ATOM 0 HD12 ILE A 192 -28.833 -19.532 16.556 1.00 19.94 H new ATOM 0 HD13 ILE A 192 -30.235 -20.238 16.352 1.00 19.94 H new ATOM 1525 N VAL A 193 -27.831 -18.953 11.287 1.00 15.24 N ATOM 1526 CA VAL A 193 -28.235 -17.915 10.290 1.00 17.88 C ATOM 1527 C VAL A 193 -27.553 -18.131 8.941 1.00 20.80 C ATOM 1528 O VAL A 193 -27.812 -17.350 8.016 1.00 21.22 O ATOM 1529 CB VAL A 193 -28.125 -16.441 10.812 1.00 19.52 C ATOM 1530 CG1 VAL A 193 -28.983 -16.238 12.089 1.00 18.72 C ATOM 1531 CG2 VAL A 193 -26.691 -16.000 11.033 1.00 20.57 C ATOM 0 H VAL A 193 -27.087 -18.790 11.686 1.00 15.24 H new ATOM 0 HA VAL A 193 -29.186 -18.041 10.149 1.00 17.88 H new ATOM 0 HB VAL A 193 -28.480 -15.870 10.113 1.00 19.52 H new ATOM 0 HG11 VAL A 193 -28.899 -15.321 12.393 1.00 18.72 H new ATOM 0 HG12 VAL A 193 -29.913 -16.428 11.888 1.00 18.72 H new ATOM 0 HG13 VAL A 193 -28.674 -16.838 12.785 1.00 18.72 H new ATOM 0 HG21 VAL A 193 -26.680 -15.085 11.354 1.00 20.57 H new ATOM 0 HG22 VAL A 193 -26.272 -16.578 11.690 1.00 20.57 H new ATOM 0 HG23 VAL A 193 -26.203 -16.055 10.197 1.00 20.57 H new ATOM 1532 N ALA A 194 -26.746 -19.206 8.854 1.00 24.11 N ATOM 1533 CA ALA A 194 -26.057 -19.615 7.601 1.00 27.05 C ATOM 1534 C ALA A 194 -26.955 -20.439 6.606 1.00 28.08 C ATOM 1535 O ALA A 194 -27.585 -21.441 7.006 1.00 29.36 O ATOM 1536 CB ALA A 194 -24.777 -20.415 7.946 1.00 24.57 C ATOM 0 H ALA A 194 -26.580 -19.723 9.521 1.00 24.11 H new ATOM 0 HA ALA A 194 -25.834 -18.793 7.136 1.00 27.05 H new ATOM 0 HB1 ALA A 194 -24.330 -20.680 7.127 1.00 24.57 H new ATOM 0 HB2 ALA A 194 -24.181 -19.861 8.474 1.00 24.57 H new ATOM 0 HB3 ALA A 194 -25.017 -21.206 8.454 1.00 24.57 H new ATOM 1537 N GLU A 195 -26.877 -20.137 5.307 1.00 33.29 N ATOM 1538 CA GLU A 195 -27.594 -20.941 4.246 1.00 35.57 C ATOM 1539 C GLU A 195 -26.717 -21.940 3.479 1.00 34.63 C ATOM 1540 O GLU A 195 -25.485 -21.790 3.448 1.00 35.24 O ATOM 1541 CB GLU A 195 -28.269 -20.032 3.217 1.00 36.60 C ATOM 1542 CG GLU A 195 -27.423 -18.806 2.800 1.00 41.01 C ATOM 1543 CD GLU A 195 -28.201 -17.492 2.956 1.00 43.43 C ATOM 1544 OE1 GLU A 195 -29.415 -17.440 2.588 1.00 41.56 O ATOM 1545 OE2 GLU A 195 -27.600 -16.517 3.474 1.00 41.98 O ATOM 0 H GLU A 195 -26.421 -19.476 4.998 1.00 33.29 H new ATOM 0 HA GLU A 195 -28.244 -21.452 4.752 1.00 35.57 H new ATOM 0 HB2 GLU A 195 -28.475 -20.554 2.426 1.00 36.60 H new ATOM 0 HB3 GLU A 195 -29.113 -19.721 3.580 1.00 36.60 H new ATOM 0 HG2 GLU A 195 -26.618 -18.771 3.340 1.00 41.01 H new ATOM 0 HG3 GLU A 195 -27.141 -18.907 1.877 1.00 41.01 H new ATOM 1546 N PRO A 196 -27.338 -22.974 2.865 1.00 34.18 N ATOM 1547 CA PRO A 196 -26.548 -23.789 1.942 1.00 32.43 C ATOM 1548 C PRO A 196 -25.936 -22.886 0.858 1.00 30.33 C ATOM 1549 O PRO A 196 -26.614 -22.009 0.318 1.00 30.58 O ATOM 1550 CB PRO A 196 -27.586 -24.760 1.353 1.00 32.89 C ATOM 1551 CG PRO A 196 -28.569 -24.930 2.481 1.00 34.79 C ATOM 1552 CD PRO A 196 -28.694 -23.522 3.056 1.00 34.98 C ATOM 0 HA PRO A 196 -25.806 -24.255 2.357 1.00 32.43 H new ATOM 0 HB2 PRO A 196 -28.009 -24.396 0.560 1.00 32.89 H new ATOM 0 HB3 PRO A 196 -27.183 -25.605 1.097 1.00 32.89 H new ATOM 0 HG2 PRO A 196 -29.423 -25.264 2.164 1.00 34.79 H new ATOM 0 HG3 PRO A 196 -28.247 -25.560 3.144 1.00 34.79 H new ATOM 0 HD2 PRO A 196 -29.363 -22.999 2.587 1.00 34.98 H new ATOM 0 HD3 PRO A 196 -28.949 -23.536 3.992 1.00 34.98 H new ATOM 1553 N LEU A 197 -24.640 -23.029 0.602 1.00 26.13 N ATOM 1554 CA LEU A 197 -23.991 -22.174 -0.405 1.00 24.38 C ATOM 1555 C LEU A 197 -24.045 -22.841 -1.761 1.00 24.08 C ATOM 1556 O LEU A 197 -24.419 -24.009 -1.874 1.00 23.78 O ATOM 1557 CB LEU A 197 -22.513 -21.906 -0.031 1.00 23.00 C ATOM 1558 CG LEU A 197 -22.445 -21.007 1.235 1.00 21.59 C ATOM 1559 CD1 LEU A 197 -21.049 -21.054 1.852 1.00 22.22 C ATOM 1560 CD2 LEU A 197 -22.789 -19.550 0.933 1.00 24.84 C ATOM 0 H LEU A 197 -24.123 -23.599 0.987 1.00 26.13 H new ATOM 0 HA LEU A 197 -24.467 -21.329 -0.434 1.00 24.38 H new ATOM 0 HB2 LEU A 197 -22.055 -22.745 0.133 1.00 23.00 H new ATOM 0 HB3 LEU A 197 -22.057 -21.474 -0.770 1.00 23.00 H new ATOM 0 HG LEU A 197 -23.103 -21.359 1.855 1.00 21.59 H new ATOM 0 HD11 LEU A 197 -21.024 -20.488 2.640 1.00 22.22 H new ATOM 0 HD12 LEU A 197 -20.836 -21.967 2.103 1.00 22.22 H new ATOM 0 HD13 LEU A 197 -20.399 -20.737 1.206 1.00 22.22 H new ATOM 0 HD21 LEU A 197 -22.734 -19.028 1.749 1.00 24.84 H new ATOM 0 HD22 LEU A 197 -22.163 -19.198 0.282 1.00 24.84 H new ATOM 0 HD23 LEU A 197 -23.689 -19.497 0.576 1.00 24.84 H new ATOM 1561 N SER A 198 -23.579 -22.101 -2.761 1.00 22.55 N ATOM 1562 CA SER A 198 -23.467 -22.626 -4.130 1.00 22.26 C ATOM 1563 C SER A 198 -22.438 -23.765 -4.216 1.00 22.75 C ATOM 1564 O SER A 198 -21.591 -23.938 -3.326 1.00 21.44 O ATOM 1565 CB SER A 198 -23.068 -21.515 -5.103 1.00 20.31 C ATOM 1566 OG SER A 198 -21.665 -21.371 -5.109 1.00 21.11 O ATOM 0 H SER A 198 -23.319 -21.286 -2.672 1.00 22.55 H new ATOM 0 HA SER A 198 -24.338 -22.975 -4.374 1.00 22.26 H new ATOM 0 HB2 SER A 198 -23.384 -21.725 -5.996 1.00 20.31 H new ATOM 0 HB3 SER A 198 -23.487 -20.679 -4.843 1.00 20.31 H new ATOM 0 HG SER A 198 -21.454 -20.700 -5.569 1.00 21.11 H new ATOM 1567 N GLU A 199 -22.507 -24.561 -5.279 1.00 22.84 N ATOM 1568 CA GLU A 199 -21.548 -25.657 -5.419 1.00 22.15 C ATOM 1569 C GLU A 199 -20.080 -25.133 -5.529 1.00 20.16 C ATOM 1570 O GLU A 199 -19.172 -25.751 -4.969 1.00 21.28 O ATOM 1571 CB GLU A 199 -21.892 -26.542 -6.641 1.00 22.67 C ATOM 1572 CG GLU A 199 -21.280 -27.935 -6.581 1.00 28.77 C ATOM 1573 CD GLU A 199 -21.770 -28.871 -7.702 1.00 34.15 C ATOM 1574 OE1 GLU A 199 -22.762 -28.538 -8.378 1.00 36.50 O ATOM 1575 OE2 GLU A 199 -21.159 -29.956 -7.890 1.00 38.98 O ATOM 0 H GLU A 199 -23.083 -24.489 -5.914 1.00 22.84 H new ATOM 0 HA GLU A 199 -21.613 -26.196 -4.615 1.00 22.15 H new ATOM 0 HB2 GLU A 199 -22.856 -26.624 -6.710 1.00 22.67 H new ATOM 0 HB3 GLU A 199 -21.587 -26.098 -7.448 1.00 22.67 H new ATOM 0 HG2 GLU A 199 -20.314 -27.859 -6.632 1.00 28.77 H new ATOM 0 HG3 GLU A 199 -21.488 -28.335 -5.722 1.00 28.77 H new ATOM 1576 N ALA A 200 -19.863 -23.979 -6.167 1.00 17.82 N ATOM 1577 CA ALA A 200 -18.506 -23.407 -6.328 1.00 17.35 C ATOM 1578 C ALA A 200 -18.049 -22.864 -4.986 1.00 16.14 C ATOM 1579 O ALA A 200 -16.877 -23.021 -4.596 1.00 16.43 O ATOM 1580 CB ALA A 200 -18.489 -22.277 -7.424 1.00 16.89 C ATOM 0 H ALA A 200 -20.488 -23.504 -6.518 1.00 17.82 H new ATOM 0 HA ALA A 200 -17.898 -24.101 -6.627 1.00 17.35 H new ATOM 0 HB1 ALA A 200 -17.591 -21.921 -7.508 1.00 16.89 H new ATOM 0 HB2 ALA A 200 -18.771 -22.647 -8.275 1.00 16.89 H new ATOM 0 HB3 ALA A 200 -19.095 -21.565 -7.165 1.00 16.89 H new ATOM 1581 N GLN A 201 -18.993 -22.269 -4.253 1.00 17.36 N ATOM 1582 CA GLN A 201 -18.632 -21.760 -2.922 1.00 17.12 C ATOM 1583 C GLN A 201 -18.355 -22.902 -1.984 1.00 17.29 C ATOM 1584 O GLN A 201 -17.413 -22.790 -1.192 1.00 17.33 O ATOM 1585 CB GLN A 201 -19.723 -20.838 -2.360 1.00 18.94 C ATOM 1586 CG GLN A 201 -19.803 -19.514 -3.137 1.00 19.25 C ATOM 1587 CD GLN A 201 -21.076 -18.746 -2.747 1.00 24.35 C ATOM 1588 OE1 GLN A 201 -22.118 -19.356 -2.473 1.00 26.63 O ATOM 1589 NE2 GLN A 201 -20.981 -17.424 -2.711 1.00 27.69 N ATOM 0 H GLN A 201 -19.811 -22.152 -4.491 1.00 17.36 H new ATOM 0 HA GLN A 201 -17.824 -21.231 -3.011 1.00 17.12 H new ATOM 0 HB2 GLN A 201 -20.581 -21.289 -2.400 1.00 18.94 H new ATOM 0 HB3 GLN A 201 -19.542 -20.654 -1.425 1.00 18.94 H new ATOM 0 HG2 GLN A 201 -19.020 -18.973 -2.949 1.00 19.25 H new ATOM 0 HG3 GLN A 201 -19.803 -19.690 -4.091 1.00 19.25 H new ATOM 0 HE21 GLN A 201 -20.237 -17.041 -2.909 1.00 27.69 H new ATOM 0 HE22 GLN A 201 -21.663 -16.950 -2.489 1.00 27.69 H new ATOM 1590 N THR A 202 -19.140 -23.991 -2.039 1.00 15.62 N ATOM 1591 CA THR A 202 -18.909 -25.168 -1.206 1.00 17.46 C ATOM 1592 C THR A 202 -17.505 -25.729 -1.445 1.00 16.73 C ATOM 1593 O THR A 202 -16.735 -26.029 -0.491 1.00 15.74 O ATOM 1594 CB THR A 202 -20.009 -26.238 -1.378 1.00 18.15 C ATOM 1595 OG1 THR A 202 -21.287 -25.690 -1.046 1.00 19.22 O ATOM 1596 CG2 THR A 202 -19.781 -27.431 -0.504 1.00 18.05 C ATOM 0 H THR A 202 -19.819 -24.061 -2.562 1.00 15.62 H new ATOM 0 HA THR A 202 -18.961 -24.888 -0.279 1.00 17.46 H new ATOM 0 HB THR A 202 -19.980 -26.517 -2.306 1.00 18.15 H new ATOM 0 HG1 THR A 202 -21.519 -25.141 -1.638 1.00 19.22 H new ATOM 0 HG21 THR A 202 -20.493 -28.075 -0.644 1.00 18.05 H new ATOM 0 HG22 THR A 202 -18.929 -27.838 -0.727 1.00 18.05 H new ATOM 0 HG23 THR A 202 -19.774 -27.155 0.426 1.00 18.05 H new ATOM 1597 N LEU A 203 -17.119 -25.776 -2.723 1.00 16.04 N ATOM 1598 CA LEU A 203 -15.801 -26.227 -3.090 1.00 14.05 C ATOM 1599 C LEU A 203 -14.690 -25.293 -2.522 1.00 13.16 C ATOM 1600 O LEU A 203 -13.706 -25.781 -1.973 1.00 13.38 O ATOM 1601 CB LEU A 203 -15.730 -26.332 -4.609 1.00 13.68 C ATOM 1602 CG LEU A 203 -14.373 -26.695 -5.158 1.00 13.65 C ATOM 1603 CD1 LEU A 203 -14.066 -28.065 -4.655 1.00 15.95 C ATOM 1604 CD2 LEU A 203 -14.498 -26.733 -6.725 1.00 15.35 C ATOM 0 H LEU A 203 -17.617 -25.547 -3.386 1.00 16.04 H new ATOM 0 HA LEU A 203 -15.640 -27.100 -2.699 1.00 14.05 H new ATOM 0 HB2 LEU A 203 -16.372 -26.996 -4.905 1.00 13.68 H new ATOM 0 HB3 LEU A 203 -16.003 -25.484 -4.992 1.00 13.68 H new ATOM 0 HG LEU A 203 -13.682 -26.068 -4.894 1.00 13.65 H new ATOM 0 HD11 LEU A 203 -13.197 -28.344 -4.984 1.00 15.95 H new ATOM 0 HD12 LEU A 203 -14.057 -28.059 -3.685 1.00 15.95 H new ATOM 0 HD13 LEU A 203 -14.744 -28.684 -4.968 1.00 15.95 H new ATOM 0 HD21 LEU A 203 -13.640 -26.964 -7.113 1.00 15.35 H new ATOM 0 HD22 LEU A 203 -15.157 -27.397 -6.981 1.00 15.35 H new ATOM 0 HD23 LEU A 203 -14.774 -25.861 -7.049 1.00 15.35 H new ATOM 1605 N GLU A 204 -14.851 -23.973 -2.679 1.00 13.63 N ATOM 1606 CA GLU A 204 -13.908 -23.032 -2.081 1.00 13.38 C ATOM 1607 C GLU A 204 -13.724 -23.232 -0.565 1.00 14.77 C ATOM 1608 O GLU A 204 -12.577 -23.280 -0.100 1.00 14.89 O ATOM 1609 CB GLU A 204 -14.399 -21.630 -2.319 1.00 14.27 C ATOM 1610 CG GLU A 204 -13.630 -20.562 -1.589 1.00 14.53 C ATOM 1611 CD GLU A 204 -14.167 -19.159 -1.745 1.00 21.26 C ATOM 1612 OE1 GLU A 204 -13.739 -18.261 -1.002 1.00 18.86 O ATOM 1613 OE2 GLU A 204 -15.026 -18.922 -2.620 1.00 25.67 O ATOM 0 H GLU A 204 -15.492 -23.610 -3.123 1.00 13.63 H new ATOM 0 HA GLU A 204 -13.048 -23.191 -2.501 1.00 13.38 H new ATOM 0 HB2 GLU A 204 -14.362 -21.445 -3.270 1.00 14.27 H new ATOM 0 HB3 GLU A 204 -15.331 -21.578 -2.055 1.00 14.27 H new ATOM 0 HG2 GLU A 204 -13.615 -20.783 -0.645 1.00 14.53 H new ATOM 0 HG3 GLU A 204 -12.711 -20.577 -1.899 1.00 14.53 H new ATOM 1614 N HIS A 205 -14.798 -23.307 0.224 1.00 14.67 N ATOM 1615 CA HIS A 205 -14.688 -23.738 1.639 1.00 12.75 C ATOM 1616 C HIS A 205 -14.081 -25.074 1.924 1.00 13.09 C ATOM 1617 O HIS A 205 -13.345 -25.193 2.905 1.00 13.16 O ATOM 1618 CB HIS A 205 -16.079 -23.601 2.270 1.00 12.20 C ATOM 1619 CG HIS A 205 -16.510 -22.181 2.333 1.00 13.78 C ATOM 1620 ND1 HIS A 205 -16.038 -21.300 3.278 1.00 14.82 N ATOM 1621 CD2 HIS A 205 -17.378 -21.466 1.563 1.00 16.21 C ATOM 1622 CE1 HIS A 205 -16.611 -20.113 3.121 1.00 14.83 C ATOM 1623 NE2 HIS A 205 -17.401 -20.177 2.055 1.00 17.64 N ATOM 0 H HIS A 205 -15.597 -23.116 -0.030 1.00 14.67 H new ATOM 0 HA HIS A 205 -14.030 -23.150 2.042 1.00 12.75 H new ATOM 0 HB2 HIS A 205 -16.722 -24.113 1.754 1.00 12.20 H new ATOM 0 HB3 HIS A 205 -16.069 -23.977 3.164 1.00 12.20 H new ATOM 0 HD1 HIS A 205 -15.457 -21.490 3.882 1.00 14.82 H new ATOM 0 HD2 HIS A 205 -17.865 -21.788 0.839 1.00 16.21 H new ATOM 0 HE1 HIS A 205 -16.482 -19.368 3.662 1.00 14.83 H new ATOM 1624 N ARG A 206 -14.406 -26.113 1.152 1.00 13.07 N ATOM 1625 CA ARG A 206 -13.766 -27.380 1.321 1.00 12.79 C ATOM 1626 C ARG A 206 -12.252 -27.280 1.156 1.00 13.50 C ATOM 1627 O ARG A 206 -11.474 -27.853 1.941 1.00 11.40 O ATOM 1628 CB ARG A 206 -14.423 -28.408 0.374 1.00 15.23 C ATOM 1629 CG ARG A 206 -13.850 -29.823 0.527 1.00 19.61 C ATOM 1630 CD ARG A 206 -14.379 -30.724 -0.599 1.00 29.43 C ATOM 1631 NE ARG A 206 -15.807 -30.965 -0.400 1.00 37.48 N ATOM 1632 CZ ARG A 206 -16.779 -30.523 -1.201 1.00 41.65 C ATOM 1633 NH1 ARG A 206 -16.502 -29.822 -2.305 1.00 44.94 N ATOM 1634 NH2 ARG A 206 -18.040 -30.796 -0.900 1.00 43.34 N ATOM 0 H ARG A 206 -14.998 -26.088 0.528 1.00 13.07 H new ATOM 0 HA ARG A 206 -13.895 -27.690 2.231 1.00 12.79 H new ATOM 0 HB2 ARG A 206 -15.378 -28.432 0.544 1.00 15.23 H new ATOM 0 HB3 ARG A 206 -14.306 -28.115 -0.543 1.00 15.23 H new ATOM 0 HG2 ARG A 206 -12.881 -29.793 0.500 1.00 19.61 H new ATOM 0 HG3 ARG A 206 -14.099 -30.190 1.390 1.00 19.61 H new ATOM 0 HD2 ARG A 206 -14.229 -30.304 -1.460 1.00 29.43 H new ATOM 0 HD3 ARG A 206 -13.897 -31.566 -0.606 1.00 29.43 H new ATOM 0 HE ARG A 206 -16.039 -31.428 0.287 1.00 37.48 H new ATOM 0 HH11 ARG A 206 -15.685 -29.648 -2.510 1.00 44.94 H new ATOM 0 HH12 ARG A 206 -17.141 -29.545 -2.810 1.00 44.94 H new ATOM 0 HH21 ARG A 206 -18.225 -31.253 -0.195 1.00 43.34 H new ATOM 0 HH22 ARG A 206 -18.674 -30.516 -1.409 1.00 43.34 H new ATOM 1635 N GLN A 207 -11.830 -26.571 0.097 1.00 12.33 N ATOM 1636 CA GLN A 207 -10.394 -26.319 -0.108 1.00 12.93 C ATOM 1637 C GLN A 207 -9.738 -25.598 1.119 1.00 11.03 C ATOM 1638 O GLN A 207 -8.624 -25.966 1.505 1.00 11.47 O ATOM 1639 CB GLN A 207 -10.161 -25.488 -1.381 1.00 13.21 C ATOM 1640 CG GLN A 207 -10.679 -26.156 -2.680 1.00 16.64 C ATOM 1641 CD GLN A 207 -10.762 -25.177 -3.859 1.00 18.05 C ATOM 1642 OE1 GLN A 207 -10.623 -23.950 -3.698 1.00 20.41 O ATOM 1643 NE2 GLN A 207 -10.971 -25.714 -5.078 1.00 18.95 N ATOM 0 H GLN A 207 -12.347 -26.234 -0.502 1.00 12.33 H new ATOM 0 HA GLN A 207 -9.970 -27.186 -0.207 1.00 12.93 H new ATOM 0 HB2 GLN A 207 -10.595 -24.627 -1.277 1.00 13.21 H new ATOM 0 HB3 GLN A 207 -9.211 -25.317 -1.474 1.00 13.21 H new ATOM 0 HG2 GLN A 207 -10.093 -26.892 -2.916 1.00 16.64 H new ATOM 0 HG3 GLN A 207 -11.557 -26.534 -2.516 1.00 16.64 H new ATOM 0 HE21 GLN A 207 -11.064 -26.565 -5.163 1.00 18.95 H new ATOM 0 HE22 GLN A 207 -11.011 -25.206 -5.771 1.00 18.95 H new ATOM 1644 N GLY A 208 -10.454 -24.646 1.730 1.00 11.38 N ATOM 1645 CA GLY A 208 -9.862 -23.976 2.861 1.00 11.04 C ATOM 1646 C GLY A 208 -9.666 -24.943 4.003 1.00 10.47 C ATOM 1647 O GLY A 208 -8.661 -24.835 4.752 1.00 11.31 O ATOM 0 H GLY A 208 -11.245 -24.391 1.510 1.00 11.38 H new ATOM 0 HA2 GLY A 208 -9.009 -23.591 2.606 1.00 11.04 H new ATOM 0 HA3 GLY A 208 -10.431 -23.243 3.144 1.00 11.04 H new ATOM 1648 N GLN A 209 -10.651 -25.796 4.223 1.00 11.12 N ATOM 1649 CA GLN A 209 -10.570 -26.744 5.322 1.00 12.04 C ATOM 1650 C GLN A 209 -9.445 -27.780 5.097 1.00 11.07 C ATOM 1651 O GLN A 209 -8.689 -28.127 6.032 1.00 11.69 O ATOM 1652 CB GLN A 209 -11.942 -27.416 5.549 1.00 11.94 C ATOM 1653 CG GLN A 209 -11.831 -28.508 6.642 1.00 15.31 C ATOM 1654 CD GLN A 209 -13.177 -29.045 7.060 1.00 18.18 C ATOM 1655 OE1 GLN A 209 -13.260 -30.110 7.728 1.00 18.10 O ATOM 1656 NE2 GLN A 209 -14.237 -28.321 6.712 1.00 14.61 N ATOM 0 H GLN A 209 -11.370 -25.844 3.753 1.00 11.12 H new ATOM 0 HA GLN A 209 -10.339 -26.259 6.130 1.00 12.04 H new ATOM 0 HB2 GLN A 209 -12.596 -26.750 5.814 1.00 11.94 H new ATOM 0 HB3 GLN A 209 -12.257 -27.810 4.720 1.00 11.94 H new ATOM 0 HG2 GLN A 209 -11.283 -29.237 6.312 1.00 15.31 H new ATOM 0 HG3 GLN A 209 -11.378 -28.141 7.417 1.00 15.31 H new ATOM 0 HE21 GLN A 209 -14.134 -27.600 6.255 1.00 14.61 H new ATOM 0 HE22 GLN A 209 -15.026 -28.574 6.944 1.00 14.61 H new ATOM 1657 N ILE A 210 -9.304 -28.277 3.860 1.00 11.50 N ATOM 1658 CA ILE A 210 -8.192 -29.176 3.527 1.00 11.42 C ATOM 1659 C ILE A 210 -6.853 -28.478 3.816 1.00 10.97 C ATOM 1660 O ILE A 210 -5.976 -29.083 4.458 1.00 9.97 O ATOM 1661 CB ILE A 210 -8.291 -29.611 2.078 1.00 12.30 C ATOM 1662 CG1 ILE A 210 -9.441 -30.593 1.958 1.00 15.80 C ATOM 1663 CG2 ILE A 210 -6.956 -30.258 1.594 1.00 15.05 C ATOM 1664 CD1 ILE A 210 -9.870 -30.811 0.528 1.00 15.81 C ATOM 0 H ILE A 210 -9.837 -28.107 3.206 1.00 11.50 H new ATOM 0 HA ILE A 210 -8.241 -29.972 4.079 1.00 11.42 H new ATOM 0 HB ILE A 210 -8.453 -28.839 1.514 1.00 12.30 H new ATOM 0 HG12 ILE A 210 -9.179 -31.442 2.347 1.00 15.80 H new ATOM 0 HG13 ILE A 210 -10.196 -30.267 2.473 1.00 15.80 H new ATOM 0 HG21 ILE A 210 -7.044 -30.527 0.666 1.00 15.05 H new ATOM 0 HG22 ILE A 210 -6.236 -29.614 1.676 1.00 15.05 H new ATOM 0 HG23 ILE A 210 -6.757 -31.036 2.138 1.00 15.05 H new ATOM 0 HD11 ILE A 210 -10.605 -31.444 0.503 1.00 15.81 H new ATOM 0 HD12 ILE A 210 -10.157 -29.968 0.144 1.00 15.81 H new ATOM 0 HD13 ILE A 210 -9.124 -31.162 0.016 1.00 15.81 H new ATOM 1665 N HIS A 211 -6.685 -27.234 3.363 1.00 10.45 N ATOM 1666 CA HIS A 211 -5.444 -26.511 3.633 1.00 11.26 C ATOM 1667 C HIS A 211 -5.150 -26.401 5.139 1.00 11.08 C ATOM 1668 O HIS A 211 -3.989 -26.521 5.549 1.00 10.88 O ATOM 1669 CB HIS A 211 -5.507 -25.111 2.992 1.00 11.55 C ATOM 1670 CG HIS A 211 -4.270 -24.300 3.204 1.00 10.73 C ATOM 1671 ND1 HIS A 211 -3.067 -24.627 2.616 1.00 13.27 N ATOM 1672 CD2 HIS A 211 -4.039 -23.188 3.936 1.00 9.18 C ATOM 1673 CE1 HIS A 211 -2.149 -23.737 2.979 1.00 13.10 C ATOM 1674 NE2 HIS A 211 -2.709 -22.870 3.798 1.00 11.79 N ATOM 0 H HIS A 211 -7.268 -26.798 2.905 1.00 10.45 H new ATOM 0 HA HIS A 211 -4.716 -27.016 3.239 1.00 11.26 H new ATOM 0 HB2 HIS A 211 -5.663 -25.206 2.039 1.00 11.55 H new ATOM 0 HB3 HIS A 211 -6.266 -24.630 3.357 1.00 11.55 H new ATOM 0 HD2 HIS A 211 -4.666 -22.723 4.441 1.00 9.18 H new ATOM 0 HE1 HIS A 211 -1.261 -23.728 2.702 1.00 13.10 H new ATOM 0 HE2 HIS A 211 -2.308 -22.213 4.183 1.00 11.79 H new ATOM 1675 N TYR A 212 -6.189 -26.064 5.919 1.00 8.74 N ATOM 1676 CA TYR A 212 -6.057 -25.953 7.371 1.00 9.66 C ATOM 1677 C TYR A 212 -5.521 -27.258 7.958 1.00 9.30 C ATOM 1678 O TYR A 212 -4.578 -27.197 8.743 1.00 9.66 O ATOM 1679 CB TYR A 212 -7.416 -25.593 7.971 1.00 9.57 C ATOM 1680 CG TYR A 212 -7.511 -25.491 9.490 1.00 10.63 C ATOM 1681 CD1 TYR A 212 -7.436 -24.251 10.148 1.00 10.13 C ATOM 1682 CD2 TYR A 212 -7.795 -26.643 10.228 1.00 8.63 C ATOM 1683 CE1 TYR A 212 -7.613 -24.190 11.524 1.00 7.96 C ATOM 1684 CE2 TYR A 212 -8.022 -26.569 11.625 1.00 9.63 C ATOM 1685 CZ TYR A 212 -7.897 -25.353 12.228 1.00 10.11 C ATOM 1686 OH TYR A 212 -8.079 -25.309 13.574 1.00 10.22 O ATOM 0 H TYR A 212 -6.978 -25.896 5.621 1.00 8.74 H new ATOM 0 HA TYR A 212 -5.423 -25.252 7.589 1.00 9.66 H new ATOM 0 HB2 TYR A 212 -7.693 -24.742 7.596 1.00 9.57 H new ATOM 0 HB3 TYR A 212 -8.059 -26.256 7.675 1.00 9.57 H new ATOM 0 HD1 TYR A 212 -7.269 -23.475 9.664 1.00 10.13 H new ATOM 0 HD2 TYR A 212 -7.835 -27.467 9.798 1.00 8.63 H new ATOM 0 HE1 TYR A 212 -7.542 -23.377 11.970 1.00 7.96 H new ATOM 0 HE2 TYR A 212 -8.249 -27.326 12.115 1.00 9.63 H new ATOM 0 HH TYR A 212 -8.243 -26.082 13.860 1.00 10.22 H new ATOM 1687 N CYS A 213 -6.092 -28.400 7.546 1.00 9.96 N ATOM 1688 CA CYS A 213 -5.612 -29.684 8.067 1.00 10.62 C ATOM 1689 C CYS A 213 -4.182 -29.977 7.631 1.00 11.34 C ATOM 1690 O CYS A 213 -3.352 -30.400 8.423 1.00 11.11 O ATOM 1691 CB CYS A 213 -6.522 -30.802 7.615 1.00 9.75 C ATOM 1692 SG CYS A 213 -8.081 -30.661 8.516 1.00 14.15 S ATOM 0 H CYS A 213 -6.739 -28.451 6.982 1.00 9.96 H new ATOM 0 HA CYS A 213 -5.621 -29.626 9.035 1.00 10.62 H new ATOM 0 HB2 CYS A 213 -6.678 -30.746 6.659 1.00 9.75 H new ATOM 0 HB3 CYS A 213 -6.110 -31.663 7.785 1.00 9.75 H new ATOM 0 HG CYS A 213 -8.727 -31.660 8.357 1.00 14.15 H new ATOM 1693 N GLN A 214 -3.858 -29.703 6.369 1.00 11.83 N ATOM 1694 CA GLN A 214 -2.505 -29.962 5.901 1.00 10.94 C ATOM 1695 C GLN A 214 -1.491 -29.132 6.689 1.00 11.32 C ATOM 1696 O GLN A 214 -0.421 -29.643 7.048 1.00 12.03 O ATOM 1697 CB GLN A 214 -2.416 -29.634 4.429 1.00 11.17 C ATOM 1698 CG GLN A 214 -3.148 -30.685 3.605 1.00 15.03 C ATOM 1699 CD GLN A 214 -3.286 -30.334 2.134 1.00 20.21 C ATOM 1700 OE1 GLN A 214 -3.179 -29.167 1.761 1.00 24.01 O ATOM 1701 NE2 GLN A 214 -3.491 -31.360 1.285 1.00 24.43 N ATOM 0 H GLN A 214 -4.394 -29.375 5.782 1.00 11.83 H new ATOM 0 HA GLN A 214 -2.297 -30.899 6.038 1.00 10.94 H new ATOM 0 HB2 GLN A 214 -2.800 -28.759 4.263 1.00 11.17 H new ATOM 0 HB3 GLN A 214 -1.486 -29.591 4.157 1.00 11.17 H new ATOM 0 HG2 GLN A 214 -2.677 -31.529 3.683 1.00 15.03 H new ATOM 0 HG3 GLN A 214 -4.033 -30.818 3.980 1.00 15.03 H new ATOM 0 HE21 GLN A 214 -3.560 -32.162 1.588 1.00 24.43 H new ATOM 0 HE22 GLN A 214 -3.553 -31.213 0.440 1.00 24.43 H new ATOM 1702 N GLN A 215 -1.819 -27.883 6.972 1.00 9.94 N ATOM 1703 CA GLN A 215 -0.886 -27.022 7.730 1.00 9.34 C ATOM 1704 C GLN A 215 -0.769 -27.425 9.195 1.00 11.38 C ATOM 1705 O GLN A 215 0.356 -27.450 9.762 1.00 11.43 O ATOM 1706 CB GLN A 215 -1.311 -25.557 7.593 1.00 10.22 C ATOM 1707 CG GLN A 215 -1.160 -25.029 6.156 1.00 10.98 C ATOM 1708 CD GLN A 215 0.320 -24.773 5.758 1.00 15.33 C ATOM 1709 OE1 GLN A 215 1.040 -25.703 5.469 1.00 18.63 O ATOM 1710 NE2 GLN A 215 0.745 -23.520 5.782 1.00 18.86 N ATOM 0 H GLN A 215 -2.559 -27.508 6.745 1.00 9.94 H new ATOM 0 HA GLN A 215 -0.002 -27.139 7.348 1.00 9.34 H new ATOM 0 HB2 GLN A 215 -2.235 -25.464 7.872 1.00 10.22 H new ATOM 0 HB3 GLN A 215 -0.778 -25.012 8.192 1.00 10.22 H new ATOM 0 HG2 GLN A 215 -1.550 -25.668 5.539 1.00 10.98 H new ATOM 0 HG3 GLN A 215 -1.662 -24.204 6.065 1.00 10.98 H new ATOM 0 HE21 GLN A 215 0.203 -22.886 5.992 1.00 18.86 H new ATOM 0 HE22 GLN A 215 1.563 -23.340 5.587 1.00 18.86 H new ATOM 1711 N GLN A 216 -1.896 -27.757 9.818 1.00 11.02 N ATOM 1712 CA GLN A 216 -1.857 -28.226 11.191 1.00 9.67 C ATOM 1713 C GLN A 216 -0.961 -29.472 11.347 1.00 10.38 C ATOM 1714 O GLN A 216 -0.357 -29.685 12.421 1.00 10.28 O ATOM 1715 CB GLN A 216 -3.294 -28.588 11.647 1.00 9.62 C ATOM 1716 CG GLN A 216 -4.183 -27.386 11.925 1.00 10.76 C ATOM 1717 CD GLN A 216 -4.075 -26.817 13.334 1.00 10.45 C ATOM 1718 OE1 GLN A 216 -3.147 -27.052 14.066 1.00 13.26 O ATOM 1719 NE2 GLN A 216 -5.079 -26.055 13.716 1.00 10.75 N ATOM 0 H GLN A 216 -2.680 -27.718 9.467 1.00 11.02 H new ATOM 0 HA GLN A 216 -1.487 -27.514 11.737 1.00 9.67 H new ATOM 0 HB2 GLN A 216 -3.711 -29.134 10.963 1.00 9.62 H new ATOM 0 HB3 GLN A 216 -3.241 -29.130 12.450 1.00 9.62 H new ATOM 0 HG2 GLN A 216 -3.965 -26.686 11.290 1.00 10.76 H new ATOM 0 HG3 GLN A 216 -5.105 -27.639 11.763 1.00 10.76 H new ATOM 0 HE21 GLN A 216 -5.731 -25.901 13.177 1.00 10.75 H new ATOM 0 HE22 GLN A 216 -5.083 -25.712 14.505 1.00 10.75 H new ATOM 1720 N GLN A 217 -0.851 -30.291 10.308 1.00 10.50 N ATOM 1721 CA GLN A 217 0.005 -31.505 10.354 1.00 10.55 C ATOM 1722 C GLN A 217 1.482 -31.135 10.415 1.00 12.16 C ATOM 1723 O GLN A 217 2.311 -32.008 10.741 1.00 13.75 O ATOM 1724 CB GLN A 217 -0.321 -32.431 9.149 1.00 12.43 C ATOM 1725 CG GLN A 217 -1.684 -33.109 9.308 1.00 12.45 C ATOM 1726 CD GLN A 217 -2.064 -34.023 8.162 1.00 17.71 C ATOM 1727 OE1 GLN A 217 -1.110 -34.778 7.667 1.00 22.42 O flip ATOM 1728 NE2 GLN A 217 -3.224 -34.044 7.728 1.00 18.88 N flip ATOM 0 H GLN A 217 -1.259 -30.173 9.560 1.00 10.50 H new ATOM 0 HA GLN A 217 -0.190 -31.997 11.167 1.00 10.55 H new ATOM 0 HB2 GLN A 217 -0.311 -31.912 8.330 1.00 12.43 H new ATOM 0 HB3 GLN A 217 0.369 -33.107 9.064 1.00 12.43 H new ATOM 0 HG2 GLN A 217 -1.684 -33.623 10.131 1.00 12.45 H new ATOM 0 HG3 GLN A 217 -2.365 -32.424 9.401 1.00 12.45 H new ATOM 0 HE21 GLN A 217 -3.823 -33.535 8.077 1.00 18.88 H new ATOM 0 HE22 GLN A 217 -3.430 -34.567 7.078 1.00 18.88 H new ATOM 1729 N LYS A 218 1.850 -29.880 10.107 1.00 10.93 N ATOM 1730 CA LYS A 218 3.268 -29.446 10.201 1.00 10.85 C ATOM 1731 C LYS A 218 3.704 -29.118 11.636 1.00 12.36 C ATOM 1732 O LYS A 218 4.848 -28.710 11.864 1.00 12.69 O ATOM 1733 CB LYS A 218 3.464 -28.200 9.308 1.00 11.20 C ATOM 1734 CG LYS A 218 3.341 -28.552 7.852 1.00 13.35 C ATOM 1735 CD LYS A 218 3.467 -27.327 6.992 1.00 15.80 C ATOM 1736 CE LYS A 218 3.490 -27.797 5.532 1.00 20.53 C ATOM 1737 NZ LYS A 218 3.472 -26.575 4.710 1.00 21.70 N ATOM 0 H LYS A 218 1.305 -29.268 9.844 1.00 10.93 H new ATOM 0 HA LYS A 218 3.820 -30.186 9.903 1.00 10.85 H new ATOM 0 HB2 LYS A 218 2.804 -27.527 9.538 1.00 11.20 H new ATOM 0 HB3 LYS A 218 4.337 -27.811 9.477 1.00 11.20 H new ATOM 0 HG2 LYS A 218 4.028 -29.193 7.611 1.00 13.35 H new ATOM 0 HG3 LYS A 218 2.485 -28.979 7.690 1.00 13.35 H new ATOM 0 HD2 LYS A 218 2.724 -26.723 7.145 1.00 15.80 H new ATOM 0 HD3 LYS A 218 4.277 -26.840 7.207 1.00 15.80 H new ATOM 0 HE2 LYS A 218 4.283 -28.326 5.350 1.00 20.53 H new ATOM 0 HE3 LYS A 218 2.724 -28.358 5.336 1.00 20.53 H new ATOM 0 HZ1 LYS A 218 3.440 -26.797 3.849 1.00 21.70 H new ATOM 0 HZ2 LYS A 218 2.756 -26.088 4.917 1.00 21.70 H new ATOM 0 HZ3 LYS A 218 4.208 -26.101 4.867 1.00 21.70 H new ATOM 1738 N ASN A 219 2.797 -29.322 12.599 1.00 11.25 N ATOM 1739 CA ASN A 219 3.087 -28.930 13.986 1.00 11.10 C ATOM 1740 C ASN A 219 3.944 -30.029 14.668 1.00 11.01 C ATOM 1741 O ASN A 219 3.421 -31.041 15.211 1.00 11.39 O ATOM 1742 CB ASN A 219 1.773 -28.756 14.735 1.00 11.46 C ATOM 1743 CG ASN A 219 1.923 -28.238 16.179 1.00 10.03 C ATOM 1744 OD1 ASN A 219 3.075 -28.322 16.740 1.00 14.14 O flip ATOM 1745 ND2 ASN A 219 0.933 -27.756 16.773 1.00 10.08 N flip ATOM 0 H ASN A 219 2.024 -29.678 12.475 1.00 11.25 H new ATOM 0 HA ASN A 219 3.580 -28.095 13.998 1.00 11.10 H new ATOM 0 HB2 ASN A 219 1.211 -28.140 14.240 1.00 11.46 H new ATOM 0 HB3 ASN A 219 1.311 -29.608 14.756 1.00 11.46 H new ATOM 0 HD21 ASN A 219 0.172 -27.711 16.374 1.00 10.08 H new ATOM 0 HD22 ASN A 219 1.013 -27.469 17.580 1.00 10.08 H new ATOM 1746 N ASP A 220 5.233 -29.809 14.672 1.00 10.81 N ATOM 1747 CA ASP A 220 6.165 -30.787 15.224 1.00 11.77 C ATOM 1748 C ASP A 220 6.089 -30.850 16.752 1.00 13.03 C ATOM 1749 O ASP A 220 6.585 -31.800 17.369 1.00 12.30 O ATOM 1750 CB ASP A 220 7.598 -30.421 14.796 1.00 14.01 C ATOM 1751 CG ASP A 220 7.931 -30.908 13.362 1.00 21.65 C ATOM 1752 OD1 ASP A 220 9.067 -30.681 12.932 1.00 28.34 O ATOM 1753 OD2 ASP A 220 7.087 -31.515 12.656 1.00 24.22 O ATOM 0 H ASP A 220 5.603 -29.098 14.360 1.00 10.81 H new ATOM 0 HA ASP A 220 5.921 -31.660 14.880 1.00 11.77 H new ATOM 0 HB2 ASP A 220 7.710 -29.459 14.842 1.00 14.01 H new ATOM 0 HB3 ASP A 220 8.229 -30.811 15.421 1.00 14.01 H new ATOM 1754 N LYS A 221 5.457 -29.852 17.369 1.00 12.37 N ATOM 1755 CA LYS A 221 5.387 -29.906 18.861 1.00 10.77 C ATOM 1756 C LYS A 221 4.375 -30.966 19.213 1.00 10.08 C ATOM 1757 O LYS A 221 4.586 -31.776 20.152 1.00 10.66 O ATOM 1758 CB LYS A 221 4.984 -28.540 19.472 1.00 12.31 C ATOM 1759 CG LYS A 221 5.897 -27.370 19.046 1.00 14.91 C ATOM 1760 CD LYS A 221 7.281 -27.583 19.449 1.00 18.25 C ATOM 1761 CE LYS A 221 8.031 -26.212 19.567 1.00 22.31 C ATOM 1762 NZ LYS A 221 8.275 -25.783 18.199 1.00 28.85 N ATOM 0 H LYS A 221 5.083 -29.176 16.991 1.00 12.37 H new ATOM 0 HA LYS A 221 6.260 -30.118 19.227 1.00 10.77 H new ATOM 0 HB2 LYS A 221 4.071 -28.337 19.214 1.00 12.31 H new ATOM 0 HB3 LYS A 221 4.996 -28.612 20.439 1.00 12.31 H new ATOM 0 HG2 LYS A 221 5.854 -27.262 18.083 1.00 14.91 H new ATOM 0 HG3 LYS A 221 5.570 -26.546 19.439 1.00 14.91 H new ATOM 0 HD2 LYS A 221 7.309 -28.048 20.300 1.00 18.25 H new ATOM 0 HD3 LYS A 221 7.729 -28.149 18.802 1.00 18.25 H new ATOM 0 HE2 LYS A 221 7.495 -25.561 20.047 1.00 22.31 H new ATOM 0 HE3 LYS A 221 8.863 -26.310 20.056 1.00 22.31 H new ATOM 0 HZ1 LYS A 221 8.987 -25.249 18.178 1.00 28.85 H new ATOM 0 HZ2 LYS A 221 8.423 -26.495 17.686 1.00 28.85 H new ATOM 0 HZ3 LYS A 221 7.565 -25.342 17.895 1.00 28.85 H new ATOM 1763 N THR A 222 3.245 -30.963 18.540 1.00 10.09 N ATOM 1764 CA THR A 222 2.288 -32.025 18.751 1.00 9.39 C ATOM 1765 C THR A 222 2.896 -33.359 18.339 1.00 10.27 C ATOM 1766 O THR A 222 2.796 -34.372 19.077 1.00 9.02 O ATOM 1767 CB THR A 222 1.064 -31.755 17.951 1.00 11.28 C ATOM 1768 OG1 THR A 222 0.465 -30.573 18.507 1.00 13.10 O ATOM 1769 CG2 THR A 222 0.078 -32.941 18.020 1.00 11.09 C ATOM 0 H THR A 222 3.014 -30.366 17.965 1.00 10.09 H new ATOM 0 HA THR A 222 2.053 -32.065 19.691 1.00 9.39 H new ATOM 0 HB THR A 222 1.288 -31.632 17.015 1.00 11.28 H new ATOM 0 HG1 THR A 222 -0.315 -30.487 18.208 1.00 13.10 H new ATOM 0 HG21 THR A 222 -0.709 -32.739 17.491 1.00 11.09 H new ATOM 0 HG22 THR A 222 0.506 -33.738 17.671 1.00 11.09 H new ATOM 0 HG23 THR A 222 -0.183 -33.092 18.942 1.00 11.09 H new ATOM 1770 N ARG A 223 3.528 -33.379 17.170 1.00 10.13 N ATOM 1771 CA ARG A 223 4.000 -34.662 16.645 1.00 9.66 C ATOM 1772 C ARG A 223 5.010 -35.343 17.590 1.00 10.13 C ATOM 1773 O ARG A 223 4.941 -36.579 17.782 1.00 10.59 O ATOM 1774 CB ARG A 223 4.634 -34.478 15.250 1.00 9.23 C ATOM 1775 CG ARG A 223 5.007 -35.816 14.609 1.00 9.34 C ATOM 1776 CD ARG A 223 5.458 -35.673 13.136 1.00 11.04 C ATOM 1777 NE ARG A 223 4.481 -34.995 12.257 1.00 11.58 N ATOM 1778 CZ ARG A 223 3.618 -35.645 11.467 1.00 11.29 C ATOM 1779 NH1 ARG A 223 3.588 -36.993 11.458 1.00 13.12 N ATOM 1780 NH2 ARG A 223 2.817 -34.974 10.681 1.00 11.35 N ATOM 0 H ARG A 223 3.690 -32.692 16.679 1.00 10.13 H new ATOM 0 HA ARG A 223 3.224 -35.240 16.574 1.00 9.66 H new ATOM 0 HB2 ARG A 223 4.013 -34.006 14.673 1.00 9.23 H new ATOM 0 HB3 ARG A 223 5.427 -33.925 15.326 1.00 9.23 H new ATOM 0 HG2 ARG A 223 5.720 -36.228 15.122 1.00 9.34 H new ATOM 0 HG3 ARG A 223 4.244 -36.414 14.652 1.00 9.34 H new ATOM 0 HD2 ARG A 223 6.293 -35.180 13.112 1.00 11.04 H new ATOM 0 HD3 ARG A 223 5.639 -36.556 12.778 1.00 11.04 H new ATOM 0 HE ARG A 223 4.467 -34.135 12.253 1.00 11.58 H new ATOM 0 HH11 ARG A 223 4.125 -37.438 11.961 1.00 13.12 H new ATOM 0 HH12 ARG A 223 3.032 -37.407 10.949 1.00 13.12 H new ATOM 0 HH21 ARG A 223 2.845 -34.114 10.671 1.00 11.35 H new ATOM 0 HH22 ARG A 223 2.263 -35.392 10.174 1.00 11.35 H new ATOM 1781 N ARG A 224 5.917 -34.548 18.195 1.00 10.88 N ATOM 1782 CA ARG A 224 6.958 -35.148 19.036 1.00 10.08 C ATOM 1783 C ARG A 224 6.319 -35.784 20.253 1.00 11.33 C ATOM 1784 O ARG A 224 6.790 -36.850 20.681 1.00 11.57 O ATOM 1785 CB ARG A 224 8.005 -34.084 19.419 1.00 11.83 C ATOM 1786 CG ARG A 224 9.126 -34.632 20.243 1.00 14.93 C ATOM 1787 CD ARG A 224 10.166 -33.541 20.611 1.00 17.52 C ATOM 1788 NE ARG A 224 11.367 -34.128 21.268 1.00 19.12 N ATOM 1789 CZ ARG A 224 11.584 -34.148 22.581 1.00 18.37 C ATOM 1790 NH1 ARG A 224 10.670 -33.692 23.434 1.00 18.52 N ATOM 1791 NH2 ARG A 224 12.696 -34.676 23.073 1.00 19.70 N ATOM 0 H ARG A 224 5.943 -33.691 18.131 1.00 10.88 H new ATOM 0 HA ARG A 224 7.422 -35.845 18.545 1.00 10.08 H new ATOM 0 HB2 ARG A 224 8.368 -33.690 18.610 1.00 11.83 H new ATOM 0 HB3 ARG A 224 7.568 -33.371 19.911 1.00 11.83 H new ATOM 0 HG2 ARG A 224 8.768 -35.023 21.055 1.00 14.93 H new ATOM 0 HG3 ARG A 224 9.566 -35.345 19.755 1.00 14.93 H new ATOM 0 HD2 ARG A 224 10.435 -33.066 19.809 1.00 17.52 H new ATOM 0 HD3 ARG A 224 9.758 -32.890 21.203 1.00 17.52 H new ATOM 0 HE ARG A 224 11.965 -34.481 20.761 1.00 19.12 H new ATOM 0 HH11 ARG A 224 9.925 -33.378 23.139 1.00 18.52 H new ATOM 0 HH12 ARG A 224 10.824 -33.711 24.280 1.00 18.52 H new ATOM 0 HH21 ARG A 224 13.285 -35.010 22.542 1.00 19.70 H new ATOM 0 HH22 ARG A 224 12.828 -34.685 23.923 1.00 19.70 H new ATOM 1792 N VAL A 225 5.314 -35.149 20.860 1.00 10.28 N ATOM 1793 CA VAL A 225 4.633 -35.762 22.026 1.00 9.32 C ATOM 1794 C VAL A 225 4.047 -37.074 21.612 1.00 9.83 C ATOM 1795 O VAL A 225 4.254 -38.099 22.285 1.00 10.16 O ATOM 1796 CB VAL A 225 3.537 -34.834 22.564 1.00 9.14 C ATOM 1797 CG1 VAL A 225 2.646 -35.545 23.539 1.00 9.94 C ATOM 1798 CG2 VAL A 225 4.212 -33.624 23.257 1.00 10.31 C ATOM 0 H VAL A 225 5.010 -34.379 20.625 1.00 10.28 H new ATOM 0 HA VAL A 225 5.278 -35.903 22.736 1.00 9.32 H new ATOM 0 HB VAL A 225 2.985 -34.538 21.823 1.00 9.14 H new ATOM 0 HG11 VAL A 225 1.965 -34.934 23.861 1.00 9.94 H new ATOM 0 HG12 VAL A 225 2.222 -36.299 23.100 1.00 9.94 H new ATOM 0 HG13 VAL A 225 3.174 -35.863 24.288 1.00 9.94 H new ATOM 0 HG21 VAL A 225 3.530 -33.027 23.603 1.00 10.31 H new ATOM 0 HG22 VAL A 225 4.767 -33.938 23.988 1.00 10.31 H new ATOM 0 HG23 VAL A 225 4.762 -33.148 22.615 1.00 10.31 H new ATOM 1799 N LEU A 226 3.401 -37.126 20.460 1.00 7.72 N ATOM 1800 CA LEU A 226 2.781 -38.422 20.098 1.00 9.51 C ATOM 1801 C LEU A 226 3.850 -39.450 19.827 1.00 9.89 C ATOM 1802 O LEU A 226 3.700 -40.618 20.188 1.00 10.72 O ATOM 1803 CB LEU A 226 1.914 -38.251 18.836 1.00 9.12 C ATOM 1804 CG LEU A 226 0.830 -37.164 18.941 1.00 9.49 C ATOM 1805 CD1 LEU A 226 0.117 -37.043 17.646 1.00 11.33 C ATOM 1806 CD2 LEU A 226 -0.156 -37.466 20.096 1.00 10.42 C ATOM 0 H LEU A 226 3.305 -36.481 19.899 1.00 7.72 H new ATOM 0 HA LEU A 226 2.228 -38.720 20.837 1.00 9.51 H new ATOM 0 HB2 LEU A 226 2.493 -38.041 18.087 1.00 9.12 H new ATOM 0 HB3 LEU A 226 1.486 -39.098 18.635 1.00 9.12 H new ATOM 0 HG LEU A 226 1.257 -36.317 19.143 1.00 9.49 H new ATOM 0 HD11 LEU A 226 -0.566 -36.357 17.715 1.00 11.33 H new ATOM 0 HD12 LEU A 226 0.748 -36.801 16.950 1.00 11.33 H new ATOM 0 HD13 LEU A 226 -0.299 -37.891 17.425 1.00 11.33 H new ATOM 0 HD21 LEU A 226 -0.827 -36.767 20.140 1.00 10.42 H new ATOM 0 HD22 LEU A 226 -0.589 -38.320 19.938 1.00 10.42 H new ATOM 0 HD23 LEU A 226 0.329 -37.501 20.935 1.00 10.42 H new ATOM 1807 N GLU A 227 4.904 -39.042 19.135 1.00 9.40 N ATOM 1808 CA GLU A 227 5.992 -39.990 18.742 1.00 9.53 C ATOM 1809 C GLU A 227 6.710 -40.572 19.950 1.00 10.59 C ATOM 1810 O GLU A 227 7.093 -41.749 19.929 1.00 12.15 O ATOM 1811 CB GLU A 227 7.046 -39.295 17.850 1.00 9.34 C ATOM 1812 CG GLU A 227 6.506 -39.034 16.481 1.00 10.33 C ATOM 1813 CD GLU A 227 7.525 -38.419 15.534 1.00 15.13 C ATOM 1814 OE1 GLU A 227 7.339 -38.528 14.321 1.00 13.93 O ATOM 1815 OE2 GLU A 227 8.501 -37.768 16.018 1.00 21.03 O ATOM 0 H GLU A 227 5.026 -38.231 18.876 1.00 9.40 H new ATOM 0 HA GLU A 227 5.557 -40.705 18.252 1.00 9.53 H new ATOM 0 HB2 GLU A 227 7.318 -38.458 18.258 1.00 9.34 H new ATOM 0 HB3 GLU A 227 7.838 -39.851 17.788 1.00 9.34 H new ATOM 0 HG2 GLU A 227 6.186 -39.868 16.103 1.00 10.33 H new ATOM 0 HG3 GLU A 227 5.741 -38.442 16.550 1.00 10.33 H new ATOM 1816 N LYS A 228 6.910 -39.775 20.991 1.00 11.04 N ATOM 1817 CA ALYS A 228 7.628 -40.251 22.181 0.50 11.67 C ATOM 1818 CA BLYS A 228 7.626 -40.242 22.184 0.50 11.79 C ATOM 1819 C LYS A 228 6.835 -41.332 22.908 1.00 11.57 C ATOM 1820 O LYS A 228 7.428 -42.186 23.574 1.00 12.32 O ATOM 1821 CB ALYS A 228 7.949 -39.102 23.144 0.50 11.87 C ATOM 1822 CB BLYS A 228 7.943 -39.078 23.137 0.50 12.00 C ATOM 1823 CG ALYS A 228 9.027 -38.134 22.662 0.50 13.82 C ATOM 1824 CG BLYS A 228 9.152 -38.228 22.724 0.50 14.59 C ATOM 1825 CD ALYS A 228 10.347 -38.852 22.351 0.50 14.33 C ATOM 1826 CD BLYS A 228 9.296 -36.953 23.536 0.50 14.44 C ATOM 1827 CE ALYS A 228 11.252 -37.898 21.503 0.50 14.89 C ATOM 1828 CE BLYS A 228 9.723 -37.204 24.959 0.50 15.59 C ATOM 1829 NZ ALYS A 228 12.561 -38.503 21.164 0.50 17.99 N ATOM 1830 NZ BLYS A 228 9.558 -36.004 25.808 0.50 14.58 N ATOM 0 H ALYS A 228 6.642 -38.959 21.035 0.50 11.04 H new ATOM 0 H BLYS A 228 6.641 -38.959 21.032 0.50 11.04 H new ATOM 0 HA ALYS A 228 8.465 -40.633 21.872 0.50 11.79 H new ATOM 0 HA BLYS A 228 8.467 -40.624 21.889 0.50 11.79 H new ATOM 0 HB2ALYS A 228 7.135 -38.601 23.310 0.50 12.00 H new ATOM 0 HB2BLYS A 228 7.164 -38.503 23.198 0.50 12.00 H new ATOM 0 HB3ALYS A 228 8.229 -39.479 23.993 0.50 12.00 H new ATOM 0 HB3BLYS A 228 8.102 -39.436 24.025 0.50 12.00 H new ATOM 0 HG2ALYS A 228 8.715 -37.674 21.867 0.50 14.59 H new ATOM 0 HG2BLYS A 228 9.959 -38.757 22.819 0.50 14.59 H new ATOM 0 HG3ALYS A 228 9.180 -37.457 23.340 0.50 14.59 H new ATOM 0 HG3BLYS A 228 9.072 -37.999 21.785 0.50 14.59 H new ATOM 0 HD2ALYS A 228 10.797 -39.098 23.174 0.50 14.44 H new ATOM 0 HD2BLYS A 228 9.945 -36.374 23.107 0.50 14.44 H new ATOM 0 HD3ALYS A 228 10.176 -39.673 21.864 0.50 14.44 H new ATOM 0 HD3BLYS A 228 8.450 -36.479 23.537 0.50 14.44 H new ATOM 0 HE2ALYS A 228 10.788 -37.661 20.685 0.50 15.59 H new ATOM 0 HE2BLYS A 228 9.202 -37.934 25.328 0.50 15.59 H new ATOM 0 HE3ALYS A 228 11.398 -37.075 21.995 0.50 15.59 H new ATOM 0 HE3BLYS A 228 10.652 -37.483 24.972 0.50 15.59 H new ATOM 0 HZ1ALYS A 228 13.112 -37.871 20.866 0.50 14.58 H new ATOM 0 HZ1BLYS A 228 9.806 -36.194 26.642 0.50 14.58 H new ATOM 0 HZ2ALYS A 228 12.910 -38.883 21.890 0.50 14.58 H new ATOM 0 HZ2BLYS A 228 10.064 -35.344 25.491 0.50 14.58 H new ATOM 0 HZ3ALYS A 228 12.449 -39.120 20.532 0.50 14.58 H new ATOM 0 HZ3BLYS A 228 8.705 -35.751 25.803 0.50 14.58 H new ATOM 1831 N ALA A 229 5.514 -41.318 22.783 1.00 10.31 N ATOM 1832 CA ALA A 229 4.659 -42.323 23.440 1.00 10.72 C ATOM 1833 C ALA A 229 4.256 -43.488 22.547 1.00 10.20 C ATOM 1834 O ALA A 229 4.081 -44.614 23.055 1.00 10.67 O ATOM 1835 CB ALA A 229 3.428 -41.646 24.025 1.00 10.66 C ATOM 0 H ALA A 229 5.083 -40.735 22.321 1.00 10.31 H new ATOM 0 HA ALA A 229 5.196 -42.716 24.145 1.00 10.72 H new ATOM 0 HB1 ALA A 229 2.868 -42.310 24.456 1.00 10.66 H new ATOM 0 HB2 ALA A 229 3.703 -40.982 24.677 1.00 10.66 H new ATOM 0 HB3 ALA A 229 2.928 -41.214 23.315 1.00 10.66 H new ATOM 1836 N PHE A 230 4.136 -43.257 21.249 1.00 10.31 N ATOM 1837 CA PHE A 230 3.594 -44.275 20.348 1.00 10.73 C ATOM 1838 C PHE A 230 4.429 -44.613 19.107 1.00 11.09 C ATOM 1839 O PHE A 230 4.158 -45.569 18.397 1.00 10.98 O ATOM 1840 CB PHE A 230 2.205 -43.832 19.819 1.00 11.10 C ATOM 1841 CG PHE A 230 1.101 -43.872 20.841 1.00 10.80 C ATOM 1842 CD1 PHE A 230 0.717 -42.695 21.502 1.00 12.44 C ATOM 1843 CD2 PHE A 230 0.396 -45.071 21.095 1.00 13.73 C ATOM 1844 CE1 PHE A 230 -0.387 -42.690 22.442 1.00 9.77 C ATOM 1845 CE2 PHE A 230 -0.655 -45.067 22.036 1.00 10.99 C ATOM 1846 CZ PHE A 230 -1.029 -43.905 22.669 1.00 11.22 C ATOM 0 H PHE A 230 4.361 -42.521 20.866 1.00 10.31 H new ATOM 0 HA PHE A 230 3.574 -45.068 20.906 1.00 10.73 H new ATOM 0 HB2 PHE A 230 2.277 -42.928 19.474 1.00 11.10 H new ATOM 0 HB3 PHE A 230 1.960 -44.402 19.073 1.00 11.10 H new ATOM 0 HD1 PHE A 230 1.178 -41.905 21.334 1.00 12.44 H new ATOM 0 HD2 PHE A 230 0.623 -45.854 20.647 1.00 13.73 H new ATOM 0 HE1 PHE A 230 -0.654 -41.911 22.874 1.00 9.77 H new ATOM 0 HE2 PHE A 230 -1.100 -45.860 22.231 1.00 10.99 H new ATOM 0 HZ PHE A 230 -1.737 -43.931 23.271 1.00 11.22 H new ATOM 1847 N GLY A 231 5.397 -43.768 18.801 1.00 10.28 N ATOM 1848 CA GLY A 231 6.208 -43.925 17.595 1.00 10.88 C ATOM 1849 C GLY A 231 5.721 -43.182 16.380 1.00 11.91 C ATOM 1850 O GLY A 231 4.619 -42.628 16.341 1.00 11.39 O ATOM 0 H GLY A 231 5.607 -43.087 19.282 1.00 10.28 H new ATOM 0 HA2 GLY A 231 7.111 -43.632 17.792 1.00 10.88 H new ATOM 0 HA3 GLY A 231 6.257 -44.869 17.378 1.00 10.88 H new ATOM 1851 N GLU A 232 6.624 -43.113 15.407 1.00 11.74 N ATOM 1852 CA AGLU A 232 6.421 -42.318 14.215 0.50 12.14 C ATOM 1853 CA BGLU A 232 6.421 -42.306 14.197 0.50 13.10 C ATOM 1854 C GLU A 232 5.197 -42.710 13.402 1.00 11.92 C ATOM 1855 O GLU A 232 4.393 -41.835 13.030 1.00 12.61 O ATOM 1856 CB AGLU A 232 7.687 -42.423 13.366 0.50 12.35 C ATOM 1857 CB BGLU A 232 7.684 -42.367 13.311 0.50 13.78 C ATOM 1858 CG AGLU A 232 8.884 -41.640 13.915 0.50 10.97 C ATOM 1859 CG BGLU A 232 7.665 -41.549 11.996 0.50 17.91 C ATOM 1860 CD AGLU A 232 9.673 -42.313 15.061 0.50 13.85 C ATOM 1861 CD BGLU A 232 9.008 -41.591 11.244 0.50 22.95 C ATOM 1862 OE1AGLU A 232 10.577 -41.617 15.559 0.50 18.76 O ATOM 1863 OE1BGLU A 232 9.604 -42.679 11.084 0.50 26.68 O ATOM 1864 OE2AGLU A 232 9.426 -43.483 15.489 0.50 9.23 O ATOM 1865 OE2BGLU A 232 9.449 -40.529 10.783 0.50 24.55 O ATOM 0 H AGLU A 232 7.375 -43.531 15.425 0.50 11.74 H new ATOM 0 H BGLU A 232 7.375 -43.532 15.426 0.50 11.74 H new ATOM 0 HA AGLU A 232 6.250 -41.405 14.493 0.50 13.10 H new ATOM 0 HA BGLU A 232 6.263 -41.395 14.490 0.50 13.10 H new ATOM 0 HB2AGLU A 232 7.934 -43.358 13.288 0.50 13.78 H new ATOM 0 HB2BGLU A 232 8.438 -42.066 13.841 0.50 13.78 H new ATOM 0 HB3AGLU A 232 7.490 -42.106 12.471 0.50 13.78 H new ATOM 0 HB3BGLU A 232 7.848 -43.296 13.085 0.50 13.78 H new ATOM 0 HG2AGLU A 232 9.497 -41.468 13.183 0.50 17.91 H new ATOM 0 HG2BGLU A 232 6.965 -41.891 11.418 0.50 17.91 H new ATOM 0 HG3AGLU A 232 8.567 -40.778 14.228 0.50 17.91 H new ATOM 0 HG3BGLU A 232 7.441 -40.627 12.197 0.50 17.91 H new ATOM 1866 N ALA A 233 5.033 -43.999 13.109 1.00 11.68 N ATOM 1867 CA ALA A 233 3.875 -44.434 12.314 1.00 11.68 C ATOM 1868 C ALA A 233 2.545 -44.149 12.972 1.00 11.84 C ATOM 1869 O ALA A 233 1.588 -43.680 12.314 1.00 12.81 O ATOM 1870 CB ALA A 233 3.984 -45.957 11.953 1.00 11.98 C ATOM 0 H ALA A 233 5.566 -44.628 13.353 1.00 11.68 H new ATOM 0 HA ALA A 233 3.900 -43.905 11.502 1.00 11.68 H new ATOM 0 HB1 ALA A 233 3.211 -46.222 11.430 1.00 11.98 H new ATOM 0 HB2 ALA A 233 4.791 -46.111 11.438 1.00 11.98 H new ATOM 0 HB3 ALA A 233 4.017 -46.481 12.768 1.00 11.98 H new ATOM 1871 N TRP A 234 2.443 -44.467 14.267 1.00 11.65 N ATOM 1872 CA TRP A 234 1.223 -44.169 15.020 1.00 10.44 C ATOM 1873 C TRP A 234 0.963 -42.667 15.002 1.00 10.86 C ATOM 1874 O TRP A 234 -0.185 -42.269 14.792 1.00 10.98 O ATOM 1875 CB TRP A 234 1.398 -44.693 16.435 1.00 11.16 C ATOM 1876 CG TRP A 234 0.154 -44.660 17.246 1.00 9.33 C ATOM 1877 CD1 TRP A 234 -0.640 -45.720 17.596 1.00 11.42 C ATOM 1878 CD2 TRP A 234 -0.428 -43.502 17.932 1.00 9.48 C ATOM 1879 NE1 TRP A 234 -1.680 -45.326 18.422 1.00 10.97 N ATOM 1880 CE2 TRP A 234 -1.584 -43.964 18.621 1.00 10.80 C ATOM 1881 CE3 TRP A 234 -0.110 -42.132 17.983 1.00 10.07 C ATOM 1882 CZ2 TRP A 234 -2.405 -43.126 19.390 1.00 10.80 C ATOM 1883 CZ3 TRP A 234 -0.919 -41.301 18.771 1.00 12.24 C ATOM 1884 CH2 TRP A 234 -2.055 -41.796 19.446 1.00 11.60 C ATOM 0 H TRP A 234 3.063 -44.852 14.722 1.00 11.65 H new ATOM 0 HA TRP A 234 0.453 -44.601 14.619 1.00 10.44 H new ATOM 0 HB2 TRP A 234 1.723 -45.606 16.395 1.00 11.16 H new ATOM 0 HB3 TRP A 234 2.080 -44.168 16.883 1.00 11.16 H new ATOM 0 HD1 TRP A 234 -0.499 -46.595 17.314 1.00 11.42 H new ATOM 0 HE1 TRP A 234 -2.282 -45.842 18.754 1.00 10.97 H new ATOM 0 HE3 TRP A 234 0.613 -41.789 17.509 1.00 10.07 H new ATOM 0 HZ2 TRP A 234 -3.150 -43.453 19.840 1.00 10.80 H new ATOM 0 HZ3 TRP A 234 -0.701 -40.400 18.851 1.00 12.24 H new ATOM 0 HH2 TRP A 234 -2.580 -41.209 19.941 1.00 11.60 H new ATOM 1885 N ALA A 235 1.994 -41.853 15.198 1.00 11.74 N ATOM 1886 CA ALA A 235 1.741 -40.402 15.263 1.00 10.77 C ATOM 1887 C ALA A 235 1.304 -39.886 13.925 1.00 11.31 C ATOM 1888 O ALA A 235 0.448 -39.007 13.893 1.00 11.40 O ATOM 1889 CB ALA A 235 2.970 -39.658 15.726 1.00 12.13 C ATOM 0 H ALA A 235 2.813 -42.097 15.293 1.00 11.74 H new ATOM 0 HA ALA A 235 1.031 -40.252 15.907 1.00 10.77 H new ATOM 0 HB1 ALA A 235 2.779 -38.708 15.761 1.00 12.13 H new ATOM 0 HB2 ALA A 235 3.223 -39.969 16.609 1.00 12.13 H new ATOM 0 HB3 ALA A 235 3.699 -39.819 15.106 1.00 12.13 H new ATOM 1890 N GLU A 236 1.880 -40.415 12.857 1.00 11.17 N ATOM 1891 CA GLU A 236 1.457 -40.052 11.505 1.00 10.88 C ATOM 1892 C GLU A 236 0.011 -40.428 11.230 1.00 11.44 C ATOM 1893 O GLU A 236 -0.755 -39.597 10.682 1.00 11.78 O ATOM 1894 CB GLU A 236 2.415 -40.625 10.446 1.00 12.92 C ATOM 1895 CG GLU A 236 1.921 -40.444 8.976 1.00 15.21 C ATOM 1896 CD GLU A 236 1.724 -38.986 8.536 1.00 15.67 C ATOM 1897 OE1 GLU A 236 0.957 -38.780 7.557 1.00 20.76 O ATOM 1898 OE2 GLU A 236 2.304 -38.050 9.124 1.00 16.74 O ATOM 0 H GLU A 236 2.520 -40.988 12.889 1.00 11.17 H new ATOM 0 HA GLU A 236 1.502 -39.085 11.443 1.00 10.88 H new ATOM 0 HB2 GLU A 236 3.280 -40.197 10.541 1.00 12.92 H new ATOM 0 HB3 GLU A 236 2.545 -41.570 10.619 1.00 12.92 H new ATOM 0 HG2 GLU A 236 2.560 -40.865 8.380 1.00 15.21 H new ATOM 0 HG3 GLU A 236 1.081 -40.917 8.870 1.00 15.21 H new ATOM 1899 N ARG A 237 -0.397 -41.624 11.611 1.00 11.82 N ATOM 1900 CA ARG A 237 -1.787 -42.020 11.453 1.00 11.50 C ATOM 1901 C ARG A 237 -2.703 -41.135 12.320 1.00 12.23 C ATOM 1902 O ARG A 237 -3.763 -40.706 11.862 1.00 12.35 O ATOM 1903 CB ARG A 237 -1.939 -43.511 11.809 1.00 11.36 C ATOM 1904 CG ARG A 237 -3.400 -43.980 11.763 1.00 14.87 C ATOM 1905 CD ARG A 237 -3.540 -45.507 11.970 1.00 16.24 C ATOM 1906 NE ARG A 237 -4.920 -45.897 11.682 1.00 25.10 N ATOM 1907 CZ ARG A 237 -5.924 -45.811 12.526 1.00 30.68 C ATOM 1908 NH1 ARG A 237 -7.137 -46.190 12.114 1.00 29.12 N ATOM 1909 NH2 ARG A 237 -5.717 -45.383 13.772 1.00 36.19 N ATOM 0 H ARG A 237 0.111 -42.222 11.963 1.00 11.82 H new ATOM 0 HA ARG A 237 -2.056 -41.896 10.529 1.00 11.50 H new ATOM 0 HB2 ARG A 237 -1.412 -44.043 11.192 1.00 11.36 H new ATOM 0 HB3 ARG A 237 -1.580 -43.667 12.697 1.00 11.36 H new ATOM 0 HG2 ARG A 237 -3.907 -43.516 12.448 1.00 14.87 H new ATOM 0 HG3 ARG A 237 -3.788 -43.736 10.908 1.00 14.87 H new ATOM 0 HD2 ARG A 237 -2.928 -45.983 11.387 1.00 16.24 H new ATOM 0 HD3 ARG A 237 -3.307 -45.745 12.881 1.00 16.24 H new ATOM 0 HE ARG A 237 -5.088 -46.207 10.898 1.00 25.10 H new ATOM 0 HH11 ARG A 237 -7.247 -46.482 11.313 1.00 29.12 H new ATOM 0 HH12 ARG A 237 -7.808 -46.142 12.650 1.00 29.12 H new ATOM 0 HH21 ARG A 237 -4.925 -45.162 14.025 1.00 36.19 H new ATOM 0 HH22 ARG A 237 -6.375 -45.327 14.323 1.00 36.19 H new ATOM 1910 N TYR A 238 -2.267 -40.846 13.540 1.00 12.08 N ATOM 1911 CA TYR A 238 -3.126 -40.054 14.462 1.00 12.25 C ATOM 1912 C TYR A 238 -3.314 -38.643 13.897 1.00 11.65 C ATOM 1913 O TYR A 238 -4.444 -38.130 13.850 1.00 11.65 O ATOM 1914 CB TYR A 238 -2.515 -40.048 15.854 1.00 12.44 C ATOM 1915 CG TYR A 238 -3.506 -39.682 16.938 1.00 12.30 C ATOM 1916 CD1 TYR A 238 -4.361 -40.656 17.441 1.00 15.03 C ATOM 1917 CD2 TYR A 238 -3.584 -38.408 17.431 1.00 13.73 C ATOM 1918 CE1 TYR A 238 -5.290 -40.361 18.401 1.00 15.18 C ATOM 1919 CE2 TYR A 238 -4.521 -38.086 18.440 1.00 13.95 C ATOM 1920 CZ TYR A 238 -5.377 -39.087 18.880 1.00 14.90 C ATOM 1921 OH TYR A 238 -6.331 -38.925 19.854 1.00 15.00 O ATOM 0 H TYR A 238 -1.505 -41.083 13.860 1.00 12.08 H new ATOM 0 HA TYR A 238 -4.005 -40.458 14.537 1.00 12.25 H new ATOM 0 HB2 TYR A 238 -2.147 -40.925 16.043 1.00 12.44 H new ATOM 0 HB3 TYR A 238 -1.776 -39.420 15.874 1.00 12.44 H new ATOM 0 HD1 TYR A 238 -4.300 -41.526 17.118 1.00 15.03 H new ATOM 0 HD2 TYR A 238 -3.017 -37.749 17.100 1.00 13.73 H new ATOM 0 HE1 TYR A 238 -5.857 -41.023 18.724 1.00 15.18 H new ATOM 0 HE2 TYR A 238 -4.563 -37.229 18.798 1.00 13.95 H new ATOM 0 HH TYR A 238 -6.483 -38.106 19.964 1.00 15.00 H new ATOM 1922 N MET A 239 -2.232 -38.021 13.438 1.00 11.27 N ATOM 1923 CA MET A 239 -2.328 -36.619 12.972 1.00 11.27 C ATOM 1924 C MET A 239 -3.115 -36.513 11.693 1.00 11.30 C ATOM 1925 O MET A 239 -3.906 -35.565 11.566 1.00 12.58 O ATOM 1926 CB MET A 239 -0.961 -35.995 12.829 1.00 11.95 C ATOM 1927 CG MET A 239 -0.334 -35.820 14.199 1.00 14.25 C ATOM 1928 SD MET A 239 1.238 -34.973 14.178 1.00 14.87 S ATOM 1929 CE MET A 239 0.729 -33.252 13.778 1.00 14.14 C ATOM 0 H MET A 239 -1.449 -38.372 13.385 1.00 11.27 H new ATOM 0 HA MET A 239 -2.810 -36.120 13.650 1.00 11.27 H new ATOM 0 HB2 MET A 239 -0.396 -36.556 12.274 1.00 11.95 H new ATOM 0 HB3 MET A 239 -1.033 -35.136 12.384 1.00 11.95 H new ATOM 0 HG2 MET A 239 -0.949 -35.327 14.765 1.00 14.25 H new ATOM 0 HG3 MET A 239 -0.215 -36.694 14.603 1.00 14.25 H new ATOM 0 HE1 MET A 239 1.163 -32.968 12.959 1.00 14.14 H new ATOM 0 HE2 MET A 239 -0.233 -33.218 13.662 1.00 14.14 H new ATOM 0 HE3 MET A 239 0.988 -32.661 14.502 1.00 14.14 H new ATOM 1930 N SER A 240 -2.950 -37.488 10.791 1.00 12.19 N ATOM 1931 CA SER A 240 -3.558 -37.377 9.473 1.00 12.75 C ATOM 1932 C SER A 240 -4.940 -37.977 9.426 1.00 13.00 C ATOM 1933 O SER A 240 -5.729 -37.603 8.509 1.00 15.02 O ATOM 1934 CB SER A 240 -2.635 -38.041 8.400 1.00 12.37 C ATOM 1935 OG SER A 240 -2.619 -39.463 8.539 1.00 14.29 O ATOM 0 H SER A 240 -2.497 -38.207 10.924 1.00 12.19 H new ATOM 0 HA SER A 240 -3.654 -36.432 9.276 1.00 12.75 H new ATOM 0 HB2 SER A 240 -2.945 -37.804 7.512 1.00 12.37 H new ATOM 0 HB3 SER A 240 -1.733 -37.695 8.487 1.00 12.37 H new ATOM 0 HG SER A 240 -2.082 -39.679 9.148 1.00 14.29 H new ATOM 1936 N GLN A 241 -5.268 -38.880 10.360 1.00 13.41 N ATOM 1937 CA AGLN A 241 -6.554 -39.577 10.281 0.50 14.20 C ATOM 1938 CA BGLN A 241 -6.547 -39.605 10.300 0.50 13.73 C ATOM 1939 C GLN A 241 -7.499 -39.237 11.443 1.00 14.50 C ATOM 1940 O GLN A 241 -8.740 -39.265 11.276 1.00 16.74 O ATOM 1941 CB AGLN A 241 -6.338 -41.092 10.147 0.50 15.68 C ATOM 1942 CB BGLN A 241 -6.305 -41.120 10.306 0.50 14.72 C ATOM 1943 CG AGLN A 241 -5.629 -41.474 8.836 0.50 16.61 C ATOM 1944 CG BGLN A 241 -5.323 -41.587 9.237 0.50 13.89 C ATOM 1945 CD AGLN A 241 -5.202 -42.923 8.783 0.50 23.32 C ATOM 1946 CD BGLN A 241 -5.787 -41.282 7.839 0.50 16.46 C ATOM 1947 OE1AGLN A 241 -3.916 -43.157 8.560 0.50 26.33 O flip ATOM 1948 OE1BGLN A 241 -6.953 -41.488 7.502 0.50 19.57 O ATOM 1949 NE2AGLN A 241 -6.022 -43.822 8.914 0.50 23.76 N flip ATOM 1950 NE2BGLN A 241 -4.860 -40.793 6.998 0.50 16.51 N ATOM 0 H AGLN A 241 -4.773 -39.097 11.029 0.50 13.41 H new ATOM 0 H BGLN A 241 -4.770 -39.086 11.030 0.50 13.41 H new ATOM 0 HA AGLN A 241 -7.000 -39.257 9.481 0.50 13.73 H new ATOM 0 HA BGLN A 241 -6.973 -39.338 9.470 0.50 13.73 H new ATOM 0 HB2AGLN A 241 -5.813 -41.408 10.899 0.50 14.72 H new ATOM 0 HB2BGLN A 241 -5.971 -41.383 11.178 0.50 14.72 H new ATOM 0 HB3AGLN A 241 -7.196 -41.543 10.190 0.50 14.72 H new ATOM 0 HB3BGLN A 241 -7.152 -41.575 10.177 0.50 14.72 H new ATOM 0 HG2AGLN A 241 -6.222 -41.291 8.091 0.50 13.89 H new ATOM 0 HG2BGLN A 241 -4.464 -41.163 9.387 0.50 13.89 H new ATOM 0 HG3AGLN A 241 -4.848 -40.910 8.722 0.50 13.89 H new ATOM 0 HG3BGLN A 241 -5.187 -42.543 9.326 0.50 13.89 H new ATOM 0 HE21AGLN A 241 -6.848 -43.633 9.058 0.50 16.51 H new ATOM 0 HE21BGLN A 241 -4.056 -40.663 7.273 0.50 16.51 H new ATOM 0 HE22AGLN A 241 -5.772 -44.643 8.862 0.50 16.51 H new ATOM 0 HE22BGLN A 241 -5.071 -40.610 6.185 0.50 16.51 H new ATOM 1951 N VAL A 242 -6.924 -38.935 12.589 1.00 14.32 N ATOM 1952 CA VAL A 242 -7.716 -38.622 13.797 1.00 15.27 C ATOM 1953 C VAL A 242 -7.845 -37.134 14.041 1.00 15.25 C ATOM 1954 O VAL A 242 -8.934 -36.636 14.254 1.00 16.31 O ATOM 1955 CB VAL A 242 -7.178 -39.337 15.034 1.00 15.72 C ATOM 1956 CG1 VAL A 242 -8.067 -39.058 16.263 1.00 16.94 C ATOM 1957 CG2 VAL A 242 -7.094 -40.880 14.739 1.00 15.66 C ATOM 0 H VAL A 242 -6.072 -38.902 12.704 1.00 14.32 H new ATOM 0 HA VAL A 242 -8.609 -38.959 13.626 1.00 15.27 H new ATOM 0 HB VAL A 242 -6.291 -39.001 15.238 1.00 15.72 H new ATOM 0 HG11 VAL A 242 -7.707 -39.521 17.035 1.00 16.94 H new ATOM 0 HG12 VAL A 242 -8.086 -38.104 16.439 1.00 16.94 H new ATOM 0 HG13 VAL A 242 -8.968 -39.373 16.089 1.00 16.94 H new ATOM 0 HG21 VAL A 242 -6.753 -41.341 15.521 1.00 15.66 H new ATOM 0 HG22 VAL A 242 -7.978 -41.217 14.525 1.00 15.66 H new ATOM 0 HG23 VAL A 242 -6.499 -41.034 13.988 1.00 15.66 H new ATOM 1958 N LEU A 243 -6.733 -36.404 14.062 1.00 15.30 N ATOM 1959 CA LEU A 243 -6.799 -34.960 14.384 1.00 15.47 C ATOM 1960 C LEU A 243 -7.226 -34.147 13.146 1.00 15.94 C ATOM 1961 O LEU A 243 -8.195 -33.368 13.192 1.00 16.91 O ATOM 1962 CB LEU A 243 -5.428 -34.448 14.860 1.00 16.11 C ATOM 1963 CG LEU A 243 -4.929 -35.037 16.178 1.00 17.78 C ATOM 1964 CD1 LEU A 243 -3.531 -34.491 16.508 1.00 20.06 C ATOM 1965 CD2 LEU A 243 -5.885 -34.850 17.286 1.00 24.50 C ATOM 0 H LEU A 243 -5.945 -36.707 13.899 1.00 15.30 H new ATOM 0 HA LEU A 243 -7.453 -34.846 15.091 1.00 15.47 H new ATOM 0 HB2 LEU A 243 -4.772 -34.637 14.170 1.00 16.11 H new ATOM 0 HB3 LEU A 243 -5.474 -33.483 14.951 1.00 16.11 H new ATOM 0 HG LEU A 243 -4.857 -35.998 16.064 1.00 17.78 H new ATOM 0 HD11 LEU A 243 -3.224 -34.871 17.346 1.00 20.06 H new ATOM 0 HD12 LEU A 243 -2.914 -34.731 15.799 1.00 20.06 H new ATOM 0 HD13 LEU A 243 -3.571 -33.525 16.587 1.00 20.06 H new ATOM 0 HD21 LEU A 243 -5.522 -35.240 18.096 1.00 24.50 H new ATOM 0 HD22 LEU A 243 -6.039 -33.902 17.425 1.00 24.50 H new ATOM 0 HD23 LEU A 243 -6.724 -35.284 17.066 1.00 24.50 H new ATOM 1966 N PHE A 244 -6.488 -34.291 12.054 1.00 14.91 N ATOM 1967 CA PHE A 244 -6.602 -33.332 10.941 1.00 16.33 C ATOM 1968 C PHE A 244 -6.858 -34.059 9.641 1.00 17.59 C ATOM 1969 O PHE A 244 -6.055 -34.028 8.706 1.00 16.94 O ATOM 1970 CB PHE A 244 -5.342 -32.485 10.863 1.00 15.23 C ATOM 1971 CG PHE A 244 -5.061 -31.738 12.122 1.00 12.82 C ATOM 1972 CD1 PHE A 244 -3.927 -32.057 12.860 1.00 15.65 C ATOM 1973 CD2 PHE A 244 -5.967 -30.757 12.591 1.00 12.25 C ATOM 1974 CE1 PHE A 244 -3.646 -31.373 14.065 1.00 18.15 C ATOM 1975 CE2 PHE A 244 -5.703 -30.094 13.794 1.00 15.70 C ATOM 1976 CZ PHE A 244 -4.542 -30.397 14.528 1.00 15.85 C ATOM 0 H PHE A 244 -5.920 -34.925 11.930 1.00 14.91 H new ATOM 0 HA PHE A 244 -7.356 -32.744 11.101 1.00 16.33 H new ATOM 0 HB2 PHE A 244 -4.586 -33.057 10.657 1.00 15.23 H new ATOM 0 HB3 PHE A 244 -5.428 -31.854 10.131 1.00 15.23 H new ATOM 0 HD1 PHE A 244 -3.351 -32.723 12.560 1.00 15.65 H new ATOM 0 HD2 PHE A 244 -6.732 -30.555 12.103 1.00 12.25 H new ATOM 0 HE1 PHE A 244 -2.875 -31.568 14.546 1.00 18.15 H new ATOM 0 HE2 PHE A 244 -6.297 -29.451 14.109 1.00 15.70 H new ATOM 0 HZ PHE A 244 -4.367 -29.949 15.324 1.00 15.85 H new ATOM 1977 N ASP A 245 -7.996 -34.722 9.599 1.00 18.96 N ATOM 1978 CA ASP A 245 -8.293 -35.572 8.450 1.00 21.03 C ATOM 1979 C ASP A 245 -8.609 -34.701 7.231 1.00 23.33 C ATOM 1980 O ASP A 245 -9.278 -33.673 7.345 1.00 22.32 O ATOM 1981 CB ASP A 245 -9.430 -36.525 8.822 1.00 21.28 C ATOM 1982 CG ASP A 245 -10.679 -35.773 9.291 1.00 22.77 C ATOM 1983 OD1 ASP A 245 -10.594 -34.844 10.146 1.00 22.38 O ATOM 1984 OD2 ASP A 245 -11.760 -36.131 8.781 1.00 24.95 O ATOM 0 H ASP A 245 -8.603 -34.700 10.208 1.00 18.96 H new ATOM 0 HA ASP A 245 -7.526 -36.115 8.209 1.00 21.03 H new ATOM 0 HB2 ASP A 245 -9.654 -37.075 8.055 1.00 21.28 H new ATOM 0 HB3 ASP A 245 -9.132 -37.124 9.524 1.00 21.28 H new ATOM 1985 N VAL A 246 -8.017 -35.060 6.096 1.00 24.76 N ATOM 1986 CA VAL A 246 -8.207 -34.308 4.856 1.00 27.31 C ATOM 1987 C VAL A 246 -9.383 -34.961 4.136 1.00 29.50 C ATOM 1988 O VAL A 246 -9.322 -36.135 3.769 1.00 29.95 O ATOM 1989 CB VAL A 246 -6.925 -34.305 4.031 1.00 26.73 C ATOM 1990 CG1 VAL A 246 -7.198 -33.869 2.614 1.00 26.90 C ATOM 1991 CG2 VAL A 246 -5.883 -33.366 4.694 1.00 26.13 C ATOM 0 H VAL A 246 -7.497 -35.741 6.021 1.00 24.76 H new ATOM 0 HA VAL A 246 -8.406 -33.373 5.020 1.00 27.31 H new ATOM 0 HB VAL A 246 -6.571 -35.208 4.002 1.00 26.73 H new ATOM 0 HG11 VAL A 246 -6.370 -33.874 2.108 1.00 26.90 H new ATOM 0 HG12 VAL A 246 -7.831 -34.479 2.204 1.00 26.90 H new ATOM 0 HG13 VAL A 246 -7.569 -32.973 2.617 1.00 26.90 H new ATOM 0 HG21 VAL A 246 -5.068 -33.365 4.168 1.00 26.13 H new ATOM 0 HG22 VAL A 246 -6.240 -32.465 4.738 1.00 26.13 H new ATOM 0 HG23 VAL A 246 -5.689 -33.680 5.591 1.00 26.13 H new ATOM 1992 N ILE A 247 -10.445 -34.174 3.969 1.00 31.17 N ATOM 1993 CA ILE A 247 -11.728 -34.619 3.402 1.00 32.76 C ATOM 1994 C ILE A 247 -11.689 -34.605 1.867 1.00 33.59 C ATOM 1995 O ILE A 247 -10.646 -34.295 1.291 1.00 33.81 O ATOM 1996 CB ILE A 247 -12.886 -33.721 3.917 1.00 33.00 C ATOM 1997 CG1 ILE A 247 -12.775 -32.298 3.360 1.00 33.37 C ATOM 1998 CG2 ILE A 247 -12.850 -33.645 5.452 1.00 32.57 C ATOM 1999 CD1 ILE A 247 -13.610 -31.232 4.127 1.00 34.52 C ATOM 0 H ILE A 247 -10.443 -33.342 4.187 1.00 31.17 H new ATOM 0 HA ILE A 247 -11.884 -35.531 3.692 1.00 32.76 H new ATOM 0 HB ILE A 247 -13.719 -34.117 3.617 1.00 33.00 H new ATOM 0 HG12 ILE A 247 -11.843 -32.031 3.372 1.00 33.37 H new ATOM 0 HG13 ILE A 247 -13.056 -32.304 2.432 1.00 33.37 H new ATOM 0 HG21 ILE A 247 -13.576 -33.083 5.765 1.00 32.57 H new ATOM 0 HG22 ILE A 247 -12.948 -34.536 5.823 1.00 32.57 H new ATOM 0 HG23 ILE A 247 -12.003 -33.268 5.738 1.00 32.57 H new ATOM 0 HD11 ILE A 247 -13.485 -30.364 3.713 1.00 34.52 H new ATOM 0 HD12 ILE A 247 -14.549 -31.472 4.096 1.00 34.52 H new ATOM 0 HD13 ILE A 247 -13.317 -31.195 5.051 1.00 34.52 H new TER 2000 ILE A 247 HETATM 2001 C1 EDO A 401 -21.727 -16.988 7.050 1.00 34.60 C HETATM 2002 O1 EDO A 401 -20.449 -17.526 7.382 1.00 43.41 O HETATM 2003 C2 EDO A 401 -22.319 -16.640 8.389 1.00 30.00 C HETATM 2004 O2 EDO A 401 -21.513 -15.632 8.979 1.00 24.96 O HETATM 0 HO2 EDO A 401 -21.887 -15.345 9.674 1.00 24.96 H new HETATM 0 HO1 EDO A 401 -20.268 -17.345 8.182 1.00 43.41 H new HETATM 0 H22 EDO A 401 -23.231 -16.327 8.285 1.00 30.00 H new HETATM 0 H21 EDO A 401 -22.352 -17.424 8.959 1.00 30.00 H new HETATM 0 H12 EDO A 401 -21.649 -16.207 6.480 1.00 34.60 H new HETATM 0 H11 EDO A 401 -22.274 -17.633 6.574 1.00 34.60 H new HETATM 2005 C1 EDO A 402 -23.955 -20.591 22.657 1.00 27.95 C HETATM 2006 O1 EDO A 402 -23.519 -20.089 23.918 1.00 37.92 O HETATM 2007 C2 EDO A 402 -22.720 -21.127 21.966 1.00 32.34 C HETATM 2008 O2 EDO A 402 -21.727 -21.505 22.910 1.00 27.44 O HETATM 0 HO2 EDO A 402 -21.238 -20.844 23.082 1.00 27.44 H new HETATM 0 HO1 EDO A 402 -22.738 -20.357 24.072 1.00 37.92 H new HETATM 0 H22 EDO A 402 -22.958 -21.892 21.419 1.00 32.34 H new HETATM 0 H21 EDO A 402 -22.362 -20.452 21.368 1.00 32.34 H new HETATM 0 H12 EDO A 402 -24.618 -21.290 22.773 1.00 27.95 H new HETATM 0 H11 EDO A 402 -24.370 -19.890 22.130 1.00 27.95 H new HETATM 2009 CHA BLA A 249 1.832 -26.203 20.604 1.00 8.40 C HETATM 2010 NA BLA A 249 1.039 -28.521 21.054 1.00 9.27 N HETATM 2011 C1A BLA A 249 1.861 -27.447 21.334 1.00 6.26 C HETATM 2012 C2A BLA A 249 2.911 -27.691 22.280 1.00 8.78 C HETATM 2013 C3A BLA A 249 2.688 -29.054 22.670 1.00 9.26 C HETATM 2014 C4A BLA A 249 1.524 -29.458 21.923 1.00 7.36 C HETATM 2015 CMA BLA A 249 3.434 -29.850 23.719 1.00 9.64 C HETATM 2016 CAA BLA A 249 3.954 -26.714 22.774 1.00 7.63 C HETATM 2017 CBA BLA A 249 3.422 -25.870 23.954 1.00 8.25 C HETATM 2018 CGA BLA A 249 4.335 -24.691 24.230 1.00 11.33 C HETATM 2019 O1A BLA A 249 4.117 -24.095 25.323 1.00 10.04 O HETATM 2020 O2A BLA A 249 5.212 -24.345 23.404 1.00 10.72 O HETATM 2021 CHB BLA A 249 1.000 -30.815 21.958 1.00 8.51 C HETATM 2022 NB BLA A 249 -1.270 -30.379 21.223 1.00 8.80 N HETATM 2023 C1B BLA A 249 -0.279 -31.255 21.565 1.00 6.10 C HETATM 2024 C2B BLA A 249 -0.705 -32.628 21.553 1.00 8.87 C HETATM 2025 C3B BLA A 249 -2.055 -32.559 21.131 1.00 7.49 C HETATM 2026 C4B BLA A 249 -2.364 -31.114 20.949 1.00 8.84 C HETATM 2027 CMB BLA A 249 0.185 -33.783 21.885 1.00 11.64 C HETATM 2028 OB BLA A 249 -3.491 -30.766 20.547 1.00 10.59 O HETATM 2029 CAB BLA A 249 -3.031 -33.676 20.922 1.00 12.29 C HETATM 2030 CBB BLA A 249 -2.785 -34.942 21.154 1.00 21.73 C HETATM 2031 NC BLA A 249 -2.870 -27.275 17.943 1.00 9.98 N HETATM 2032 C1C BLA A 249 -4.086 -27.786 17.638 1.00 11.38 C HETATM 2033 C2C BLA A 249 -5.132 -26.867 17.256 1.00 8.98 C HETATM 2034 C3C BLA A 249 -4.424 -25.642 17.285 1.00 7.75 C HETATM 2035 C4C BLA A 249 -3.099 -25.951 17.775 1.00 8.54 C HETATM 2036 CMC BLA A 249 -6.523 -27.168 16.877 1.00 10.28 C HETATM 2037 OC BLA A 249 -4.312 -29.133 17.667 1.00 11.91 O HETATM 2038 CAC BLA A 249 -4.947 -24.268 17.076 1.00 8.64 C HETATM 2039 CBC BLA A 249 -6.258 -24.025 17.185 1.00 11.47 C HETATM 2040 CHD BLA A 249 -2.126 -24.917 17.894 1.00 8.54 C HETATM 2041 ND BLA A 249 -0.342 -25.992 19.323 1.00 8.19 N HETATM 2042 C1D BLA A 249 -0.784 -25.022 18.422 1.00 8.07 C HETATM 2043 C2D BLA A 249 0.189 -24.019 18.131 1.00 8.34 C HETATM 2044 C3D BLA A 249 1.333 -24.371 18.898 1.00 8.62 C HETATM 2045 C4D BLA A 249 0.944 -25.578 19.621 1.00 9.73 C HETATM 2046 CMD BLA A 249 0.087 -22.864 17.189 1.00 9.74 C HETATM 2047 CAD BLA A 249 2.660 -23.654 18.936 1.00 7.07 C HETATM 2048 CBD BLA A 249 3.641 -24.484 18.141 1.00 10.86 C HETATM 2049 CGD BLA A 249 5.048 -23.876 18.090 1.00 14.12 C HETATM 2050 O1D BLA A 249 5.374 -23.194 19.056 1.00 16.43 O HETATM 2051 O2D BLA A 249 5.801 -24.177 17.136 1.00 17.22 O HETATM 0 HMD3 BLA A 249 -0.070 -23.192 16.290 1.00 9.74 H new HETATM 0 HMD2 BLA A 249 -0.649 -22.292 17.457 1.00 9.74 H new HETATM 0 HMD1 BLA A 249 0.914 -22.357 17.208 1.00 9.74 H new HETATM 0 HMC3 BLA A 249 -6.529 -27.744 16.097 1.00 10.28 H new HETATM 0 HMC2 BLA A 249 -6.969 -27.616 17.613 1.00 10.28 H new HETATM 0 HMC1 BLA A 249 -6.989 -26.342 16.672 1.00 10.28 H new HETATM 0 HMB3 BLA A 249 0.934 -33.803 21.268 1.00 11.64 H new HETATM 0 HMB2 BLA A 249 0.516 -33.687 22.792 1.00 11.64 H new HETATM 0 HMB1 BLA A 249 -0.316 -34.610 21.811 1.00 11.64 H new HETATM 0 HMA3 BLA A 249 4.373 -29.899 23.481 1.00 9.64 H new HETATM 0 HMA2 BLA A 249 3.342 -29.416 24.581 1.00 9.64 H new HETATM 0 HMA1 BLA A 249 3.066 -30.746 23.768 1.00 9.64 H new HETATM 0 HBD2 BLA A 249 3.693 -25.372 18.529 1.00 10.86 H new HETATM 0 HBD1 BLA A 249 3.308 -24.589 17.236 1.00 10.86 H new HETATM 0 HBC2 BLA A 249 -6.598 -23.127 17.048 1.00 11.47 H new HETATM 0 HBC1 BLA A 249 -6.869 -24.747 17.401 1.00 11.47 H new HETATM 0 HBB2 BLA A 249 -3.472 -35.607 20.993 1.00 21.73 H new HETATM 0 HBB1 BLA A 249 -1.916 -35.214 21.487 1.00 21.73 H new HETATM 0 HBA2 BLA A 249 2.528 -25.552 23.752 1.00 8.25 H new HETATM 0 HBA1 BLA A 249 3.353 -26.424 24.748 1.00 8.25 H new HETATM 0 HAD2 BLA A 249 2.579 -22.764 18.558 1.00 7.07 H new HETATM 0 HAD1 BLA A 249 2.965 -23.547 19.851 1.00 7.07 H new HETATM 0 HAA2 BLA A 249 4.747 -27.198 23.052 1.00 7.63 H new HETATM 0 HAA1 BLA A 249 4.220 -26.127 22.048 1.00 7.63 H new HETATM 0 HHD BLA A 249 -2.396 -24.038 17.584 1.00 8.54 H new HETATM 0 HHB BLA A 249 1.603 -31.498 22.292 1.00 8.51 H new HETATM 0 HHA BLA A 249 2.591 -25.639 20.818 1.00 8.40 H new HETATM 0 HC BLA A 249 -2.149 -27.680 18.179 1.00 9.98 H new HETATM 0 HB BLA A 249 -1.207 -29.522 21.189 1.00 8.80 H new HETATM 0 HAC BLA A 249 -4.337 -23.545 16.860 1.00 8.64 H new HETATM 0 HAB BLA A 249 -3.912 -33.444 20.590 1.00 12.29 H new HETATM 0 HA BLA A 249 0.396 -28.583 20.486 1.00 9.27 H new HETATM 2052 O HOH A1001 6.559 -35.278 33.194 1.00 38.71 O HETATM 2053 O HOH A1002 3.803 -9.862 24.768 1.00 16.26 O HETATM 2054 O HOH A1003 -23.030 -13.143 16.334 1.00 6.46 O HETATM 2055 O HOH A1005 3.315 -47.892 19.742 1.00 8.13 O HETATM 2056 O HOH A1006 6.762 -31.448 21.795 1.00 9.23 O HETATM 2057 O HOH A1007 -9.946 -48.363 18.741 1.00 14.27 O HETATM 2058 O HOH A1008 7.250 -43.100 26.244 1.00 7.78 O HETATM 2059 O HOH A1009 5.176 -39.129 12.673 1.00 10.63 O HETATM 2060 O HOH A1010 -15.035 -42.740 18.017 1.00 11.63 O HETATM 2061 O HOH A1011 9.816 -42.484 19.890 1.00 14.19 O HETATM 2062 O HOH A1012 -9.158 -32.484 15.769 1.00 13.35 O HETATM 2063 O HOH A1013 -8.324 -12.525 9.698 1.00 19.86 O HETATM 2064 O HOH A1014 -14.915 -26.025 5.128 1.00 10.90 O HETATM 2065 O HOH A1015 -16.193 -36.588 7.944 1.00 20.80 O HETATM 2066 O HOH A1016 6.941 -29.748 23.894 1.00 15.53 O HETATM 2067 O HOH A1017 6.219 -39.953 26.053 1.00 10.84 O HETATM 2068 O HOH A1018 2.898 -47.173 22.452 1.00 7.20 O HETATM 2069 O HOH A1019 -9.034 -22.848 14.382 1.00 5.47 O HETATM 2070 O HOH A1020 10.256 -44.275 17.906 1.00 15.57 O HETATM 2071 O HOH A1021 -7.472 -21.426 7.691 1.00 10.31 O HETATM 2072 O HOH A1022 -7.595 -47.661 17.810 1.00 17.15 O HETATM 2073 O HOH A1023 -0.351 -13.388 28.255 1.00 6.48 O HETATM 2074 O HOH A1024 10.027 -42.842 24.064 1.00 10.88 O HETATM 2075 O HOH A1025 4.993 -37.799 25.005 1.00 11.72 O HETATM 2076 O HOH A1026 -16.277 -23.019 32.175 1.00 8.01 O HETATM 2077 O HOH A1027 1.293 -44.163 9.575 1.00 14.34 O HETATM 2078 O HOH A1028 -16.254 -24.637 12.935 1.00 14.69 O HETATM 2079 O HOH A1029 -2.610 -44.085 15.189 1.00 12.75 O HETATM 2080 O HOH A1030 -13.727 -48.577 20.261 1.00 13.54 O HETATM 2081 O HOH A1031 -9.009 -11.964 19.460 1.00 15.48 O HETATM 2082 O HOH A1032 -9.917 -31.418 5.765 1.00 19.73 O HETATM 2083 O HOH A1033 -16.318 -23.794 5.774 1.00 9.58 O HETATM 2084 O HOH A1034 6.429 -35.549 25.484 1.00 12.38 O HETATM 2085 O HOH A1035 -10.929 -11.811 8.682 1.00 11.49 O HETATM 2086 O HOH A1036 -4.747 -12.459 38.633 1.00 15.46 O HETATM 2087 O HOH A1037 -11.243 -38.466 11.861 1.00 18.95 O HETATM 2088 O HOH A1038 -26.885 -20.106 19.147 1.00 12.21 O HETATM 2089 O HOH A1039 -6.852 -22.740 5.425 1.00 13.80 O HETATM 2090 O HOH A1040 0.018 -13.635 19.620 1.00 14.75 O HETATM 2091 O HOH A1041 7.798 -33.709 23.298 1.00 11.55 O HETATM 2092 O HOH A1042 -1.799 -30.056 17.203 1.00 10.47 O HETATM 2093 O HOH A1043 -20.268 -20.211 24.538 1.00 14.05 O HETATM 2094 O HOH A1044 -19.788 -22.047 26.663 1.00 11.50 O HETATM 2095 O HOH A1045 10.494 -41.305 31.437 1.00 24.60 O HETATM 2096 O HOH A1046 2.419 -48.178 14.959 1.00 12.29 O HETATM 2097 O HOH A1047 5.695 -37.592 34.956 1.00 27.48 O HETATM 2098 O HOH A1048 1.661 -14.427 15.273 1.00 12.81 O HETATM 2099 O HOH A1049 -13.619 -17.816 5.940 1.00 8.53 O HETATM 2100 O HOH A1050 -25.942 -26.168 23.404 1.00 15.96 O HETATM 2101 O HOH A1051 -20.269 -24.987 8.079 1.00 11.68 O HETATM 2102 O HOH A1052 8.966 -30.556 20.406 1.00 17.58 O HETATM 2103 O HOH A1053 4.636 -32.221 12.317 1.00 9.97 O HETATM 2104 O HOH A1054 6.330 -23.932 9.753 1.00 18.57 O HETATM 2105 O HOH A1055 -24.852 -18.759 20.518 1.00 8.93 O HETATM 2106 O HOH A1056 4.521 -41.574 32.664 1.00 11.71 O HETATM 2107 O HOH A1057 0.130 -47.775 14.396 0.50 17.96 O HETATM 2108 O HOH A1058 9.672 -47.382 29.265 1.00 21.62 O HETATM 2109 O HOH A1059 -2.059 -16.105 11.092 1.00 13.61 O HETATM 2110 O HOH A1060 7.070 -27.479 14.379 1.00 15.84 O HETATM 2111 O HOH A1061 -17.432 -39.506 21.389 1.00 17.09 O HETATM 2112 O HOH A1062 -13.712 -17.082 32.417 1.00 15.62 O HETATM 2113 O HOH A1063 1.058 -31.451 5.578 1.00 20.66 O HETATM 2114 O HOH A1064 -13.765 -41.736 10.986 1.00 24.83 O HETATM 2115 O HOH A1065 -12.415 -35.666 25.408 1.00 8.89 O HETATM 2116 O HOH A1066 -15.752 -19.386 6.677 1.00 10.94 O HETATM 2117 O HOH A1067 5.034 -26.006 15.166 1.00 17.43 O HETATM 2118 O HOH A1068 -15.855 -17.792 30.952 1.00 21.90 O HETATM 2119 O HOH A1069 -18.905 -23.265 31.332 1.00 12.69 O HETATM 2120 O HOH A1071 -19.699 -41.371 12.422 1.00 23.48 O HETATM 2121 O HOH A1072 -25.236 -27.566 14.956 1.00 13.46 O HETATM 2122 O HOH A1073 -12.923 -15.630 -0.946 1.00 15.30 O HETATM 2123 O HOH A1074 -10.397 -11.850 33.778 1.00 18.11 O HETATM 2124 O HOH A1075 8.715 -39.222 27.237 1.00 16.16 O HETATM 2125 O HOH A1076 -13.709 -44.698 27.524 1.00 24.34 O HETATM 2126 O HOH A1077 -8.035 -49.876 10.919 1.00 18.80 O HETATM 2127 O HOH A1078 -1.292 -28.658 14.977 1.00 8.38 O HETATM 2128 O HOH A1079 -4.207 -20.007 4.207 1.00 15.96 O HETATM 2129 O HOH A1080 -2.912 -14.666 13.248 1.00 11.97 O HETATM 2130 O HOH A1081 -10.252 -21.471 0.336 1.00 17.09 O HETATM 2131 O HOH A1082 -17.056 -40.781 18.967 1.00 22.75 O HETATM 2132 O HOH A1083 10.222 -37.808 18.126 1.00 19.79 O HETATM 2133 O HOH A1084 5.411 -49.231 18.589 1.00 12.03 O HETATM 2134 O HOH A1085 -10.706 -46.450 22.660 1.00 9.13 O HETATM 2135 O HOH A1086 -20.472 -28.414 30.552 1.00 23.32 O HETATM 2136 O HOH A1087 -12.511 -11.955 27.578 1.00 15.58 O HETATM 2137 O HOH A1088 11.125 -40.344 19.148 1.00 33.78 O HETATM 2138 O HOH A1089 -2.641 -15.325 39.464 1.00 17.70 O HETATM 2139 O HOH A1090 -6.432 -19.121 -0.532 1.00 20.49 O HETATM 2140 O HOH A1091 -21.085 -24.635 32.226 1.00 17.34 O HETATM 2141 O HOH A1092 -0.588 -39.497 31.803 1.00 17.45 O HETATM 2142 O HOH A1093 -11.088 -10.929 20.545 1.00 25.62 O HETATM 2143 O HOH A1094 6.518 -22.894 26.370 1.00 18.68 O HETATM 2144 O HOH A1095 -3.318 -36.103 5.344 1.00 30.25 O HETATM 2145 O HOH A1096 -12.800 -19.423 33.606 1.00 22.47 O HETATM 2146 O HOH A1098 -0.460 -40.713 6.446 1.00 23.39 O HETATM 2147 O HOH A1099 -20.013 -35.824 9.454 1.00 22.71 O HETATM 2148 O HOH A1100 -10.271 -40.171 9.167 1.00 21.84 O HETATM 2149 O HOH A1101 -22.666 -33.385 9.348 1.00 18.30 O HETATM 2150 O HOH A1102 -11.147 -48.684 21.096 1.00 10.35 O HETATM 2151 O HOH A1103 -13.343 -50.601 17.957 1.00 22.78 O HETATM 2152 O HOH A1104 7.449 -22.560 20.871 1.00 17.59 O HETATM 2153 O HOH A1105 1.064 -19.562 32.940 1.00 15.35 O HETATM 2154 O HOH A1106 -19.410 -12.325 4.066 1.00 27.00 O HETATM 2155 O HOH A1107 -6.355 -19.173 5.665 1.00 22.75 O HETATM 2156 O HOH A1108 2.370 -17.320 10.998 1.00 23.48 O HETATM 2157 O HOH A1109 -27.134 -24.433 25.480 1.00 26.37 O HETATM 2158 O HOH A1110 -7.107 -26.745 -0.683 1.00 29.40 O HETATM 2159 O HOH A1111 5.189 -20.502 27.594 1.00 17.35 O HETATM 2160 O HOH A1112 -24.515 -23.107 21.846 1.00 20.12 O HETATM 2161 O HOH A1115 -26.535 -23.314 17.359 1.00 20.41 O HETATM 2162 O HOH A1116 -24.736 -24.951 15.922 1.00 17.11 O HETATM 2163 O HOH A1117 -21.443 -13.264 7.220 1.00 19.61 O HETATM 2164 O HOH A1118 -21.630 -4.544 20.700 1.00 19.77 O HETATM 2165 O HOH A1119 -1.451 -13.680 15.241 1.00 25.06 O HETATM 2166 O HOH A1120 -25.209 -31.129 6.326 1.00 18.46 O HETATM 2167 O HOH A1121 -21.747 -22.903 -8.278 1.00 14.60 O HETATM 2168 O HOH A1122 -3.270 -8.608 31.593 1.00 17.02 O HETATM 2169 O HOH A1123 -29.701 -35.398 17.557 1.00 16.96 O HETATM 2170 O HOH A1124 9.746 -45.306 31.022 1.00 18.84 O HETATM 2171 O HOH A1125 -19.901 -21.382 29.343 1.00 17.58 O HETATM 2172 O HOH A1126 7.028 -35.041 28.862 1.00 34.88 O HETATM 2173 O HOH A1127 -11.771 -8.661 18.866 1.00 24.98 O HETATM 2174 O HOH A1128 -9.459 -39.691 37.859 1.00 26.97 O HETATM 2175 O HOH A1129 -24.270 -3.747 20.805 1.00 11.96 O HETATM 2176 O HOH A1130 -28.248 -34.541 14.060 1.00 23.01 O HETATM 2177 O HOH A1131 -9.588 -22.152 40.435 1.00 22.44 O HETATM 2178 O HOH A1132 -7.131 -20.837 39.603 1.00 27.20 O HETATM 2179 O HOH A1133 10.198 -33.465 16.537 1.00 29.62 O HETATM 2180 O HOH A1134 -11.864 -47.134 10.951 1.00 26.88 O HETATM 2181 O HOH A1135 -5.878 -37.065 5.981 1.00 26.18 O HETATM 2182 O HOH A1136 -2.347 -31.293 36.366 1.00 26.19 O HETATM 2183 O HOH A1137 -12.353 -41.484 25.485 1.00 35.83 O HETATM 2184 O HOH A1138 -1.259 -20.576 34.162 1.00 21.86 O HETATM 2185 O HOH A1139 -6.635 -13.279 40.483 1.00 24.65 O HETATM 2186 O HOH A1140 -0.972 -26.823 35.744 1.00 16.23 O HETATM 2187 O HOH A1141 -25.821 -34.695 11.694 1.00 22.72 O HETATM 2188 O HOH A1142 9.718 -30.511 17.991 1.00 24.93 O HETATM 2189 O HOH A1143 5.105 -50.903 16.307 1.00 29.87 O HETATM 2190 O HOH A1144 -14.000 -50.160 15.176 1.00 28.98 O HETATM 2191 O HOH A1145 -22.783 -29.608 29.307 1.00 33.89 O HETATM 2192 O HOH A1147 4.218 -16.995 32.874 1.00 20.89 O HETATM 2193 O HOH A1148 -5.165 -11.610 17.600 1.00 16.53 O HETATM 2194 O HOH A1149 -15.422 -11.950 4.097 1.00 17.72 O HETATM 2195 O HOH A1150 5.499 -34.972 31.057 1.00 16.21 O HETATM 2196 O HOH A1151 7.493 -50.211 15.527 1.00 26.00 O HETATM 2197 O HOH A1152 0.651 -35.890 9.000 1.00 22.64 O HETATM 2198 O HOH A1153 4.398 -46.226 15.676 1.00 8.32 O HETATM 2199 O HOH A1154 -4.534 -38.821 35.326 1.00 26.17 O HETATM 2200 O HOH A1155 -8.623 -19.584 4.054 1.00 21.98 O HETATM 2201 O HOH A1156 -21.006 -19.111 -6.716 1.00 24.05 O HETATM 2202 O HOH A1157 -11.269 -8.708 30.302 1.00 27.30 O HETATM 2203 O HOH A1158 4.401 -23.283 32.137 1.00 20.17 O HETATM 2204 O HOH A1159 -13.171 -10.730 29.821 1.00 24.16 O HETATM 2205 O HOH A1160 -6.013 -15.078 -0.383 1.00 20.31 O HETATM 2206 O HOH A1161 -11.858 -21.875 37.924 1.00 12.89 O HETATM 2207 O HOH A1162 -0.503 -49.148 29.220 1.00 14.96 O HETATM 2208 O HOH A1163 -19.909 -9.699 19.379 1.00 23.22 O HETATM 2209 O HOH A1164 -24.558 -23.991 -7.407 1.00 24.69 O HETATM 2210 O HOH A1165 -5.524 -16.962 7.020 1.00 27.74 O HETATM 2211 O HOH A1166 -21.971 -27.039 -10.236 1.00 21.42 O HETATM 2212 O HOH A1167 11.618 -44.047 13.929 1.00 32.47 O HETATM 2213 O HOH A1169 5.556 -21.663 37.147 1.00 30.10 O HETATM 2214 O HOH A1171 7.963 -24.805 22.704 1.00 21.38 O HETATM 2215 O HOH A1173 -1.926 -26.957 1.698 1.00 29.36 O HETATM 2216 O HOH A1174 7.012 -15.454 20.109 1.00 6.50 O HETATM 2217 O HOH A1175 -17.391 -41.516 10.816 1.00 32.10 O HETATM 2218 O HOH A1176 5.330 -26.160 34.034 1.00 29.80 O HETATM 2219 O HOH A1177 -14.339 -40.573 26.056 1.00 37.35 O HETATM 2220 O HOH A1178 -5.350 -20.934 37.950 1.00 27.29 O HETATM 2221 O HOH A1179 -6.538 -10.789 19.826 1.00 24.32 O HETATM 2222 O HOH A1180 -8.475 -20.795 35.196 1.00 22.62 O HETATM 2223 O HOH A1181 -20.070 -19.023 29.931 1.00 34.76 O HETATM 2224 O HOH A1182 -18.908 -18.478 0.249 1.00 22.26 O HETATM 2225 O HOH A1183 9.399 -14.177 17.227 1.00 23.36 O HETATM 2226 O HOH A1184 -8.925 -34.707 -0.394 1.00 34.29 O HETATM 2227 O HOH A1185 -14.996 -36.033 35.667 1.00 24.20 O HETATM 2228 O HOH A1186 -0.985 -42.869 8.256 1.00 20.06 O HETATM 2229 O HOH A1187 0.090 -34.743 33.525 1.00 19.66 O HETATM 2230 O HOH A1188 -22.047 -19.180 26.605 1.00 37.75 O HETATM 2231 O HOH A1189 -11.101 -29.417 40.118 1.00 25.81 O HETATM 2232 O HOH A1190 -14.421 -11.172 2.122 1.00 33.14 O HETATM 2233 O HOH A1191 3.970 -43.594 8.519 1.00 26.80 O HETATM 2234 O HOH A1193 -27.543 -29.854 5.524 1.00 28.69 O HETATM 2235 O HOH A1194 -16.937 -20.202 31.672 1.00 30.63 O HETATM 2236 O HOH A1195 -11.720 -4.473 18.176 1.00 25.39 O HETATM 2237 O HOH A1196 1.812 -7.775 25.642 1.00 26.34 O HETATM 2238 O HOH A1197 -8.263 -6.824 27.977 1.00 26.82 O HETATM 2239 O HOH A1198 -1.893 -14.649 17.841 1.00 23.25 O HETATM 2240 O HOH A1199 3.859 -18.388 6.856 1.00 23.00 O HETATM 2241 O HOH A1200 -3.749 -20.507 1.405 1.00 37.68 O HETATM 2242 O HOH A1201 6.791 -23.144 29.327 1.00 31.74 O HETATM 2243 O HOH A1202 8.977 -37.808 12.303 1.00 24.82 O HETATM 2244 O HOH A1203 0.227 -27.574 3.433 1.00 26.28 O HETATM 2245 O HOH A1204 -6.673 -23.580 -0.728 1.00 35.49 O HETATM 2246 O HOH A1205 -17.982 -39.544 26.261 1.00 36.97 O HETATM 2247 O HOH A1206 13.756 -46.637 28.742 1.00 32.04 O HETATM 2248 O HOH A1207 -22.636 -9.732 12.758 1.00 23.98 O HETATM 2249 O HOH A1208 -7.955 -21.104 2.206 1.00 40.19 O HETATM 2250 O HOH A1209 -11.829 -14.425 39.419 1.00 29.49 O HETATM 2251 O HOH A1210 3.026 -23.775 3.087 1.00 27.03 O HETATM 2252 O HOH A1211 9.061 -11.598 19.154 1.00 35.72 O HETATM 2253 O HOH A1212 -16.951 -17.175 -1.557 1.00 30.24 O HETATM 2254 O HOH A1213 -12.884 -41.966 27.428 1.00 24.43 O HETATM 2255 O HOH A1214 -19.637 -18.393 4.748 1.00 29.90 O HETATM 2256 O HOH A1215 4.049 -22.951 5.618 1.00 27.82 O HETATM 2257 O HOH A1216 -4.487 -11.045 21.973 1.00 21.53 O HETATM 2258 O HOH A1218 -24.684 -13.708 9.023 1.00 29.06 O HETATM 2259 O HOH A1219 -1.586 -18.130 35.772 1.00 33.26 O HETATM 2260 O HOH A1220 -8.553 -28.735 40.326 1.00 24.01 O HETATM 2261 O HOH A1221 -16.031 -19.734 -5.153 1.00 28.02 O HETATM 2262 O HOH A1222 -9.196 -13.237 39.418 1.00 31.74 O HETATM 2263 O HOH A1223 -19.017 -28.639 -4.279 1.00 28.70 O HETATM 2264 O HOH A1224 -17.645 -11.175 27.182 1.00 29.44 O HETATM 2265 O HOH A1225 -18.217 -13.996 2.863 1.00 27.35 O HETATM 2266 O HOH A1226 -9.104 -47.079 10.146 1.00 26.41 O HETATM 2267 O HOH A1227 -21.357 -16.986 3.944 1.00 27.57 O HETATM 2268 O HOH A1228 -22.883 -18.820 4.484 1.00 19.18 O HETATM 2269 O HOH A1229 -3.011 -22.460 0.042 1.00 40.13 O HETATM 2270 O HOH A1230 -20.724 -11.400 21.044 1.00 28.98 O HETATM 2271 O HOH A1231 -16.965 -12.646 0.586 1.00 32.58 O HETATM 2272 O HOH A1232 -2.519 -13.514 21.163 1.00 13.97 O HETATM 2273 O HOH A1237 -13.882 -40.863 29.593 1.00 21.48 O HETATM 2274 O HOH A1238 -27.017 -34.363 9.389 1.00 39.75 O HETATM 2275 O HOH A1246 9.062 -35.135 14.933 1.00 28.50 O HETATM 2276 O HOH A1248 -2.766 -28.513 37.545 1.00 28.02 O HETATM 2277 O HOH A1249 -27.841 -23.898 9.110 1.00 20.74 O HETATM 2278 O HOH A1250 -17.868 -38.352 30.124 1.00 28.09 O HETATM 2279 O HOH A1251 6.878 -29.217 10.156 1.00 32.37 O HETATM 2280 O HOH A1253 6.261 -17.236 11.936 1.00 28.24 O HETATM 2281 O HOH A1262 -14.720 -40.568 20.425 1.00 21.49 O HETATM 2282 O HOH A1273 -25.672 -12.030 11.861 1.00 27.17 O HETATM 2283 O HOH A1275 -18.770 -37.043 27.934 1.00 26.17 O HETATM 2284 O HOH A1277 -20.735 -14.071 26.538 1.00 36.41 O HETATM 2285 O HOH A1281 -15.147 -2.686 20.588 1.00 35.61 O HETATM 2286 O HOH A1284 0.461 -36.693 5.893 1.00 41.18 O HETATM 2287 O HOH A1286 1.356 -29.810 3.157 1.00 28.60 O HETATM 2288 O HOH A1287 -10.783 -2.422 21.994 1.00 30.46 O HETATM 2289 O HOH A1290 3.712 -43.325 34.884 1.00 35.90 O HETATM 2290 O HOH A1292 -23.018 -22.201 26.510 1.00 36.70 O HETATM 2291 O HOH A1293 -8.178 -10.849 1.402 1.00 25.88 O HETATM 2292 O HOH A1298 -18.658 -43.424 18.643 1.00 28.86 O HETATM 2293 O HOH A1301 1.350 -14.191 12.750 1.00 38.68 O HETATM 2294 O HOH A1318 3.600 -10.545 32.657 1.00 25.03 O HETATM 2295 O HOH A1326 -18.020 -6.874 8.583 1.00 33.55 O HETATM 2296 O HOH A1332 3.306 -15.535 12.285 1.00 25.62 O HETATM 2297 O HOH A1337 0.906 -10.954 37.033 1.00 27.04 O HETATM 2298 O HOH A1339 12.353 -41.271 17.054 1.00 42.82 O HETATM 2299 O HOH A1353 -2.759 -6.407 30.322 1.00 33.05 O HETATM 2300 O HOH A1354 -3.836 -9.654 14.603 1.00 31.41 O HETATM 2301 O HOH A1356 -20.558 -15.670 29.270 1.00 33.21 O HETATM 2302 O HOH A1375 -3.049 -22.745 35.824 1.00 21.32 O HETATM 2303 O HOH A1382 6.671 -12.778 21.181 1.00 31.39 O HETATM 2304 O HOH A1390 -3.070 -9.027 34.264 1.00 36.17 O HETATM 2305 O HOH A1398 -12.245 -8.746 32.743 1.00 33.58 O CONECT 2001 2002 2003 CONECT 2002 2001 CONECT 2003 2001 2004 CONECT 2004 2003 CONECT 2005 2006 2007 CONECT 2006 2005 CONECT 2007 2005 2008 CONECT 2008 2007 CONECT 2009 2011 2045 CONECT 2010 2011 2014 CONECT 2011 2009 2010 2012 CONECT 2012 2011 2013 2016 CONECT 2013 2012 2014 2015 CONECT 2014 2010 2013 2021 CONECT 2015 2013 CONECT 2016 2012 2017 CONECT 2017 2016 2018 CONECT 2018 2017 2019 2020 CONECT 2019 2018 CONECT 2020 2018 CONECT 2021 2014 2023 CONECT 2022 2023 2026 CONECT 2023 2021 2022 2024 CONECT 2024 2023 2025 2027 CONECT 2025 2024 2026 2029 CONECT 2026 2022 2025 2028 CONECT 2027 2024 CONECT 2028 2026 CONECT 2029 2025 2030 CONECT 2030 2029 CONECT 2031 2032 2035 CONECT 2032 2031 2033 2037 CONECT 2033 2032 2034 2036 CONECT 2034 2033 2035 2038 CONECT 2035 2031 2034 2040 CONECT 2036 2033 CONECT 2037 2032 CONECT 2038 2034 2039 CONECT 2039 2038 CONECT 2040 2035 2042 CONECT 2041 2042 2045 CONECT 2042 2040 2041 2043 CONECT 2043 2042 2044 2046 CONECT 2044 2043 2045 2047 CONECT 2045 2009 2041 2044 CONECT 2046 2043 CONECT 2047 2044 2048 CONECT 2048 2047 2049 CONECT 2049 2048 2050 2051 CONECT 2050 2049 CONECT 2051 2049 END