USER MOD reduce.3.24.130724 H: found=0, std=0, add=2314, rem=0, adj=101 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER OXIDOREDUCTASE 03-JUN-10 3NB8 TITLE CRYSTAL STRUCTURE OF OXIDIZED 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 3NB8 1 JRNL VERSN REVDAT 1 06-OCT-10 3NB8 0 SPRSDE 06-OCT-10 3NB8 3F0J 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. 1.30 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) : 1.30 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 26.21 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : 89.8 REMARK 3 NUMBER OF REFLECTIONS : 61469 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) : 0.170 REMARK 3 R VALUE (WORKING SET) : 0.169 REMARK 3 FREE R VALUE : 0.191 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.100 REMARK 3 FREE R VALUE TEST SET COUNT : 3271 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) : 1.30 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.33 REMARK 3 REFLECTION IN BIN (WORKING SET) : 3967 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 78.68 REMARK 3 BIN R VALUE (WORKING SET) : 0.2280 REMARK 3 BIN FREE R VALUE SET COUNT : 192 REMARK 3 BIN FREE R VALUE : 0.2420 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1927 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 99 REMARK 3 SOLVENT ATOMS : 287 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 16.21 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -0.74000 REMARK 3 B22 (A**2) : 0.73000 REMARK 3 B33 (A**2) : 0.01000 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): 0.053 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.029 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 1.381 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.968 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.958 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2290 ; 0.017 ; 0.022 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 3123 ; 2.043 ; 2.006 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 302 ; 6.347 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 115 ;33.838 ;24.696 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 415 ;12.399 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 16 ;15.688 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 323 ; 0.099 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1787 ; 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): 1313 ; 1.010 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 2156 ; 1.749 ; 2.000 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 977 ; 2.531 ; 3.000 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 939 ; 3.899 ; 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 22 REMARK 3 ORIGIN FOR THE GROUP (A): -11.5533 -32.5642 33.2865 REMARK 3 T TENSOR REMARK 3 T11: 0.0662 T22: 0.1047 REMARK 3 T33: 0.0175 T12: -0.0194 REMARK 3 T13: 0.0174 T23: 0.0076 REMARK 3 L TENSOR REMARK 3 L11: 1.1151 L22: 3.1739 REMARK 3 L33: 1.1939 L12: 0.1574 REMARK 3 L13: 1.3300 L23: 0.2290 REMARK 3 S TENSOR REMARK 3 S11: 0.1527 S12: -0.2899 S13: 0.0311 REMARK 3 S21: 0.1346 S22: -0.1455 S23: 0.1798 REMARK 3 S31: 0.1741 S32: -0.1931 S33: -0.0073 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 23 A 81 REMARK 3 ORIGIN FOR THE GROUP (A): -12.5369 -36.2119 22.0889 REMARK 3 T TENSOR REMARK 3 T11: 0.0315 T22: 0.0237 REMARK 3 T33: 0.0694 T12: -0.0003 REMARK 3 T13: -0.0031 T23: -0.0032 REMARK 3 L TENSOR REMARK 3 L11: 0.6368 L22: 0.4621 REMARK 3 L33: 0.0677 L12: -0.4053 REMARK 3 L13: 0.0223 L23: 0.0737 REMARK 3 S TENSOR REMARK 3 S11: 0.0390 S12: -0.0126 S13: -0.0679 REMARK 3 S21: 0.0126 S22: -0.0341 S23: 0.0064 REMARK 3 S31: 0.0125 S32: -0.0417 S33: -0.0049 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 82 A 217 REMARK 3 ORIGIN FOR THE GROUP (A): -9.9048 -19.8490 16.1604 REMARK 3 T TENSOR REMARK 3 T11: 0.0375 T22: 0.0326 REMARK 3 T33: 0.0487 T12: 0.0046 REMARK 3 T13: 0.0029 T23: 0.0028 REMARK 3 L TENSOR REMARK 3 L11: 0.6461 L22: 0.0001 REMARK 3 L33: 0.4202 L12: 0.0108 REMARK 3 L13: 0.0432 L23: 0.0936 REMARK 3 S TENSOR REMARK 3 S11: 0.0184 S12: 0.0463 S13: 0.0572 REMARK 3 S21: 0.0051 S22: -0.0196 S23: -0.0248 REMARK 3 S31: -0.0286 S32: -0.0382 S33: 0.0012 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 218 A 247 REMARK 3 ORIGIN FOR THE GROUP (A): 0.2995 -37.9475 14.7989 REMARK 3 T TENSOR REMARK 3 T11: 0.0408 T22: 0.0201 REMARK 3 T33: 0.0708 T12: 0.0192 REMARK 3 T13: 0.0166 T23: 0.0000 REMARK 3 L TENSOR REMARK 3 L11: 0.4417 L22: 1.3627 REMARK 3 L33: 0.3393 L12: 0.0329 REMARK 3 L13: 0.2675 L23: -0.4918 REMARK 3 S TENSOR REMARK 3 S11: 0.0492 S12: 0.0522 S13: -0.0402 REMARK 3 S21: -0.0397 S22: -0.0092 S23: -0.0197 REMARK 3 S31: -0.0139 S32: 0.0168 S33: -0.0400 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: HYDROGENS HAVE BEEN ADDED IN THE RIDING REMARK 3 POSITIONS REMARK 4 REMARK 4 3NB8 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 RCSB059611. 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 : 1 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 : 64740 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.300 REMARK 200 RESOLUTION RANGE LOW (A) : 26.210 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 89.8 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) : 1.30 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.33 REMARK 200 COMPLETENESS FOR SHELL (%) : 78.7 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 2D1E REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 52.10 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.57 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 35.39250 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 47.81850 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 35.39250 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 47.81850 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 GLN A 142 CB 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 NZ LYS A 228 O HOH A 1034 2.01 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O HOH A 1221 O HOH A 1264 1554 2.11 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 CYS A 104 CA - CB - SG ANGL. DEV. = 7.4 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 -107.94 -117.81 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 EDO A 403 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 404 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 405 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 406 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 407 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 408 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC9 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 409 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 410 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 411 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 412 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 414 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 415 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC6 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: 3F0J RELATED DB: PDB REMARK 900 SIDE CHAIN ROTATION OF AMIDE N AND O ATOMS OF GLN88 REMARK 900 RELATED ID: 3NB9 RELATED DB: PDB DBREF 3NB8 A 1 248 UNP Q55891 PCYA_SYNY3 1 248 SEQADV 3NB8 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 EDO A 403 4 HET EDO A 404 4 HET EDO A 405 4 HET EDO A 406 4 HET EDO A 407 4 HET EDO A 408 4 HET EDO A 409 4 HET EDO A 410 4 HET EDO A 411 4 HET EDO A 412 4 HET EDO A 414 4 HET EDO A 415 4 HET BLA A 249 43 HETNAM EDO 1,2-ETHANEDIOL HETNAM BLA BILIVERDINE IX ALPHA HETSYN EDO ETHYLENE GLYCOL FORMUL 2 EDO 14(C2 H6 O2) FORMUL 16 BLA C33 H34 N4 O6 FORMUL 17 HOH *287(H2 O) HELIX 1 1 LEU A 13 LEU A 17 5 5 HELIX 2 2 ASN A 18 GLN A 33 1 16 HELIX 3 3 LEU A 42 LEU A 46 5 5 HELIX 4 4 PRO A 95 GLY A 98 5 4 HELIX 5 5 PRO A 130 GLU A 139 1 10 HELIX 6 6 PRO A 152 PHE A 158 5 7 HELIX 7 7 ASN A 169 ALA A 194 1 26 HELIX 8 8 SER A 198 GLN A 217 1 20 HELIX 9 9 ASN A 219 GLY A 231 1 13 HELIX 10 10 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 GLY A 112 N GLY A 109 SHEET 7 B 7 LEU A 163 ILE A 165 -1 O LEU A 163 N ALA A 118 SITE *** AC1 3 GLN A 185 ARG A 224 GLU A 227 SITE *** AC2 4 MET A 20 GLU A 173 GLU A 174 EDO A 410 SITE *** AC3 8 GLY A 47 TYR A 48 GLU A 61 ASN A 62 SITE *** AC3 8 EDO A 411 HOH A1236 HOH A1237 HOH A1374 SITE *** AC4 6 ALA A 132 TYR A 133 GLN A 190 HOH A1117 SITE *** AC4 6 HOH A1249 HOH A1261 SITE *** AC5 6 LEU A 151 CYS A 162 PHE A 164 HOH A1040 SITE *** AC5 6 HOH A1048 HOH A1080 SITE *** AC6 5 ASN A 169 VAL A 170 THR A 171 HOH A1089 SITE *** AC6 5 HOH A1139 SITE *** AC7 9 SER A 31 LEU A 184 GLN A 185 CYS A 188 SITE *** AC7 9 LYS A 221 HOH A1043 HOH A1055 HOH A1112 SITE *** AC7 9 HOH A1292 SITE *** AC8 7 GLN A 124 GLN A 201 GLU A 204 HOH A1073 SITE *** AC8 7 HOH A1085 HOH A1182 HOH A1263 SITE *** AC9 4 ASN A 10 SER A 12 TYR A 48 GLU A 61 SITE *** BC1 7 MET A 20 GLN A 23 GLU A 173 GLU A 174 SITE *** BC1 7 VAL A 177 EDO A 402 HOH A1062 SITE *** BC2 5 ASP A 45 LEU A 46 GLY A 47 GLU A 54 SITE *** BC2 5 EDO A 403 SITE *** BC3 3 THR A 171 ARG A 175 HOH A1074 SITE *** BC4 7 ASN A 18 PRO A 19 GLU A 173 HOH A1024 SITE *** BC4 7 HOH A1046 HOH A1138 HOH A1275 SITE *** BC5 4 GLN A 41 LEU A 42 GLU A 44 HOH A1134 SITE *** BC6 27 SER A 34 GLU A 76 ILE A 86 GLN A 88 SITE *** BC6 27 VAL A 90 GLY A 103 CYS A 104 ASP A 105 SITE *** BC6 27 VAL A 107 SER A 114 ALA A 115 ARG A 149 SITE *** BC6 27 PHE A 158 PHE A 164 ILE A 192 GLN A 216 SITE *** BC6 27 LYS A 221 THR A 222 VAL A 225 PHE A 244 SITE *** BC6 27 HOH A1042 HOH A1067 HOH A1146 HOH A1151 SITE *** BC6 27 HOH A1171 HOH A1231 HOH A1400 CRYST1 70.785 95.637 42.710 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 0.014127 0.000000 0.000000 0.00000 SCALE2 0.000000 0.010456 0.000000 0.00000 SCALE3 0.000000 0.000000 0.023414 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 57 LYS HZ2A: A 57 LYS NZ A: A 50 GLU OE2A:(NH2R) USER MOD NoAdj-H: A 57 LYS HZ3A: A 57 LYS NZ A: A 50 GLU OE2A:(NH2R) 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 18 ASN : amide:sc= -5.72! C(o=-4.3!,f=-5.5!) USER MOD Set 1.2: A 414 EDO O2 : rot 115:sc= 1.42 USER MOD Set 2.1: A 402 EDO O2 : rot 100:sc= 1.25 USER MOD Set 2.2: A 410 EDO O1 : rot 112:sc= 1.04 USER MOD Set 3.1: A 12 SER OG : rot -90:sc= 0.964 USER MOD Set 3.2: A 409 EDO O2 : rot -101:sc= 1.09 USER MOD Set 4.1: A 240 SER OG : rot -77:sc= 1.2 USER MOD Set 4.2: A 241 GLN B: amide:sc= 1.3 K(o=2.5,f=1.8) USER MOD Set 5.1: A 215 GLN : amide:sc= 2.03 K(o=4,f=-8.4!) USER MOD Set 5.2: A 218 LYS NZ :NH3+ 169:sc= 1.96 (180deg=0.843) USER MOD Set 6.1: A 212 TYR OH : rot 180:sc= 1.13 USER MOD Set 6.2: A 216 GLN : amide:sc= 1.37 K(o=2.5,f=0.09) USER MOD Set 7.1: A 123 THR OG1 : rot -77:sc= 1.91 USER MOD Set 7.2: A 205 HIS : no HE2:sc= 2.92 K(o=4.8,f=-7.5!) USER MOD Set 8.1: A 198 SER OG : rot -172:sc= 1.25 USER MOD Set 8.2: A 201 GLN : amide:sc= 0.516 K(o=1.8,f=-1.2!) USER MOD Set 9.1: A 190 GLN :FLIP amide:sc= 1.1 F(o=0.29,f=2.4) USER MOD Set 9.2: A 404 EDO O1 : rot 167:sc= 1.27 USER MOD Set10.1: A 31 SER OG B: rot 78:sc= 0.822 USER MOD Set10.2: A 188 CYS SG A: rot 180:sc= 0 USER MOD Set10.3: A 188 CYS SG B: rot 57:sc= -0.505! USER MOD Set10.4: A 407 EDO O1 : rot 107:sc= 0.807 USER MOD Set10.5: A 407 EDO O2 : rot -43:sc= 3.59 USER MOD Set11.1: A 171 THR OG1 : rot 180:sc= 0.145 USER MOD Set11.2: A 406 EDO O2 : rot -119:sc= 0.586 USER MOD Set12.1: A 147 GLN B: amide:sc= -0.332 K(o=-1.2,f=-1.9) USER MOD Set12.2: A 168 SER OG A: rot 84:sc= -0.819 USER MOD Set13.1: A 128 GLN A: amide:sc= 0.659 K(o=1.5,f=-0.7) USER MOD Set13.2: A 134 GLN :FLIP amide:sc= 0.796 F(o=-0.7!,f=1.5) USER MOD Set14.1: A 133 TYR OH : rot 177:sc= 1.3 USER MOD Set14.2: A 187 HIS : no HD1:sc= 2.29 K(o=3.6,f=-9.1!) USER MOD Set15.1: A 62 ASN :FLIP amide:sc= 0.364 F(o=2.3,f=3) USER MOD Set15.2: A 74 HIS A: no HD1:sc= 1.23 K(o=3,f=-2) USER MOD Set15.3: A 238 TYR OH A: rot -170:sc= 1.44 USER MOD Set15.4: A 238 TYR OH B: rot 165:sc=-0.000376 USER MOD Set16.1: A 73 MET CE A:methyl -179:sc= -0.25 (180deg=-0.251) USER MOD Set16.2: A 91 MET CE :methyl -131:sc= -0.0489 (180deg=-0.391) USER MOD Set17.1: A 64 CYS SG : rot -126:sc= -0.828 USER MOD Set17.2: A 72 LYS NZ A:NH3+ 172:sc= 2.39 (180deg=2.29) USER MOD Set17.3: A 74 HIS B:FLIP no HE2:sc= -5.65! C(o=-4.7!,f=-4.1!) USER MOD Set18.1: A 7 SER OG : rot 124:sc= 1.11 USER MOD Set18.2: A 9 THR OG1 : rot 180:sc= 0.903 USER MOD Single : A 10 ASN : amide:sc= -0.083 X(o=-0.083,f=0) USER MOD Single : A 11 SER OG : rot 83:sc= 1.64 USER MOD Single : A 14 MET CE A:methyl -158:sc= -0.0748 (180deg=-0.524) USER MOD Single : A 14 MET CE B:methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -45:sc= -6.61! USER MOD Single : A 20 MET CE A:methyl -112:sc= -0.563 (180deg=-0.682) USER MOD Single : A 20 MET CE B:methyl -172:sc= -4.51! (180deg=-4.87!) USER MOD Single : A 22 GLN : amide:sc= 1.8 K(o=1.8,f=-0.14) USER MOD Single : A 23 GLN :FLIP amide:sc= 0 F(o=-0.96,f=0) USER MOD Single : A 31 SER OG A: rot -46:sc= 0.815 USER MOD Single : A 33 GLN A: amide:sc= -0.384 K(o=-0.38,f=-0.95) USER MOD Single : A 33 GLN B: amide:sc= -0.0646 K(o=-0.065,f=-1.2!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ A:NH3+ 163:sc= -0.205 (180deg=-0.915) USER MOD Single : A 38 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot -158:sc= 2.08 USER MOD Single : A 41 GLN A: amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 41 GLN B: amide:sc= -2.59! X(o=-2.6!,f=-2.5) USER MOD Single : A 48 TYR OH : rot -1:sc= 2.46 USER MOD Single : A 57 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ B:NH3+ -142:sc= 0.602 (180deg=-0.659) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0.651 K(o=0.65,f=-2.2) USER MOD Single : A 67 THR OG1 : rot -119:sc= 0.961 USER MOD Single : A 69 GLN : amide:sc= 0.544 K(o=0.54,f=-0.61) USER MOD Single : A 73 MET CE B:methyl 178:sc= -2.56 (180deg=-2.67) USER MOD Single : A 79 LYS NZ A:NH3+ -163:sc= 1.56 (180deg=1.25) USER MOD Single : A 79 LYS NZ B:NH3+ -141:sc= 1.58 (180deg=0.862) USER MOD Single : A 82 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0228) USER MOD Single : A 88 GLN A:FLIP amide:sc= -11.3! C(o=-14!,f=-11!) USER MOD Single : A 88 GLN B:FLIP amide:sc= -3.71! C(o=-5.5!,f=-3.7!) USER MOD Single : A 89 CYS SG : rot 42:sc= 0.291 USER MOD Single : A 97 TYR OH : rot -167:sc= 2.69 USER MOD Single : A 104 CYS SG A: rot 130:sc= -7.84! USER MOD Single : A 104 CYS SG B: rot 180:sc= -0.331 USER MOD Single : A 114 SER OG : rot 106:sc= 1.01 USER MOD Single : A 121 SER OG : rot -37:sc= 2.38 USER MOD Single : A 124 GLN :FLIP amide:sc= 1.46 F(o=0.57,f=1.5) USER MOD Single : A 125 SER OG : rot -78:sc= 0.557 USER MOD Single : A 128 GLN B: amide:sc= -0.0247 X(o=-0.025,f=0.15) USER MOD Single : A 135 LYS NZ A:NH3+ 162:sc= 1.11 (180deg=0.891) USER MOD Single : A 135 LYS NZ B:NH3+ -157:sc= 1.32 (180deg=0.909) USER MOD Single : A 136 SER OG : rot 93:sc= 0.357 USER MOD Single : A 147 GLN A: amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 148 GLN A: amide:sc= 0.984 K(o=0.98,f=-1) USER MOD Single : A 148 GLN B:FLIP amide:sc= -0.568! C(o=-2.3!,f=-0.57!) USER MOD Single : A 159 SER OG : rot -85:sc= 1.75 USER MOD Single : A 161 TYR OH A: rot 180:sc= 0 USER MOD Single : A 161 TYR OH B: rot 30:sc= 1.23 USER MOD Single : A 162 CYS SG : rot 180:sc= -0.116 USER MOD Single : A 168 SER OG B: rot 167:sc= 0.507 USER MOD Single : A 169 ASN : amide:sc= 0.891 K(o=0.89,f=-5.1!) USER MOD Single : A 178 GLN : amide:sc= 0.704 X(o=0.7,f=0.86) USER MOD Single : A 185 GLN :FLIP amide:sc= 1.74 F(o=0.85,f=1.7) USER MOD Single : A 189 HIS : no HD1:sc= 0.498 X(o=0.5,f=0.023) USER MOD Single : A 191 SER OG : rot -56:sc= 2.37 USER MOD Single : A 202 THR OG1 : rot 71:sc= 0.72 USER MOD Single : A 207 GLN : amide:sc= 1.05 K(o=1.1,f=-0.0049) USER MOD Single : A 209 GLN : amide:sc= 0.187 K(o=0.19,f=-3.5!) USER MOD Single : A 211 HIS : no HD1:sc= 2.39 K(o=2.4,f=-5.8!) USER MOD Single : A 213 CYS SG : rot 79:sc= 0.746 USER MOD Single : A 214 GLN : amide:sc= 1.05 K(o=1,f=-1) USER MOD Single : A 217 GLN :FLIP amide:sc= 1.36 F(o=-0.11,f=1.4) USER MOD Single : A 219 ASN :FLIP amide:sc= 0.0665 F(o=-3.1!,f=0.066) USER MOD Single : A 221 LYS NZ :NH3+ -163:sc= 0.771 (180deg=0.515) USER MOD Single : A 222 THR OG1 : rot 179:sc= 2.28 USER MOD Single : A 228 LYS NZ A:NH3+ -174:sc= 0.484 (180deg=0.467) USER MOD Single : A 228 LYS NZ B:NH3+ -133:sc= -0.652! (180deg=-4.03!) USER MOD Single : A 239 MET CE :methyl -121:sc= 0 (180deg=-0.142) USER MOD Single : A 241 GLN A: amide:sc= 1.05 X(o=1.1,f=1.3) USER MOD Single : A 401 EDO O1 : rot 180:sc= 0 USER MOD Single : A 401 EDO O2 : rot 180:sc= 0 USER MOD Single : A 402 EDO O1 : rot -151:sc= 0.789 USER MOD Single : A 403 EDO O1 : rot -130:sc= 1.27 USER MOD Single : A 403 EDO O2 : rot -56:sc= 1.6 USER MOD Single : A 404 EDO O2 : rot -81:sc= 2.3 USER MOD Single : A 405 EDO O1 : rot -130:sc= 1.28 USER MOD Single : A 405 EDO O2 : rot -2:sc= 1.09 USER MOD Single : A 406 EDO O1 : rot -28:sc= 0.317 USER MOD Single : A 408 EDO O1 : rot -72:sc= 3.3 USER MOD Single : A 408 EDO O2 : rot -88:sc= 1.77 USER MOD Single : A 409 EDO O1 : rot 88:sc= 0.217 USER MOD Single : A 410 EDO O2 : rot -35:sc= 1.04 USER MOD Single : A 411 EDO O1 : rot 180:sc= 0 USER MOD Single : A 411 EDO O2 : rot 35:sc= 0.116 USER MOD Single : A 412 EDO O1 : rot -130:sc= 0.691 USER MOD Single : A 412 EDO O2 : rot 55:sc= 0.519 USER MOD Single : A 414 EDO O1 : rot 1:sc= 2.5 USER MOD Single : A 415 EDO O1 : rot 10:sc= 1.45 USER MOD Single : A 415 EDO O2 : rot -80:sc= 1.32 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 6 -20.630 -36.167 26.956 1.00 35.39 N ATOM 2 CA LEU A 6 -20.349 -34.705 27.136 1.00 34.29 C ATOM 3 C LEU A 6 -20.420 -34.226 28.574 1.00 34.14 C ATOM 4 O LEU A 6 -19.870 -33.174 28.901 1.00 33.28 O ATOM 5 CB LEU A 6 -21.271 -33.817 26.278 1.00 35.16 C ATOM 6 CG LEU A 6 -20.756 -33.412 24.904 1.00 33.54 C ATOM 7 CD1 LEU A 6 -21.730 -32.490 24.254 1.00 33.36 C ATOM 8 CD2 LEU A 6 -19.393 -32.755 24.968 1.00 33.44 C ATOM 0 HA LEU A 6 -19.431 -34.613 26.837 1.00 34.29 H new ATOM 0 HB2 LEU A 6 -22.113 -34.283 26.159 1.00 35.16 H new ATOM 0 HB3 LEU A 6 -21.462 -33.009 26.779 1.00 35.16 H new ATOM 0 HG LEU A 6 -20.661 -34.223 24.380 1.00 33.54 H new ATOM 0 HD11 LEU A 6 -21.399 -32.234 23.379 1.00 33.36 H new ATOM 0 HD12 LEU A 6 -22.585 -32.938 24.157 1.00 33.36 H new ATOM 0 HD13 LEU A 6 -21.841 -31.697 24.802 1.00 33.36 H new ATOM 0 HD21 LEU A 6 -19.107 -32.515 24.073 1.00 33.44 H new ATOM 0 HD22 LEU A 6 -19.444 -31.956 25.516 1.00 33.44 H new ATOM 0 HD23 LEU A 6 -18.754 -33.372 25.357 1.00 33.44 H new ATOM 9 N SER A 7 -21.110 -34.959 29.447 1.00 34.30 N ATOM 10 CA SER A 7 -21.190 -34.494 30.834 1.00 34.54 C ATOM 11 C SER A 7 -19.778 -34.370 31.425 1.00 33.51 C ATOM 12 O SER A 7 -19.546 -33.530 32.316 1.00 34.38 O ATOM 13 CB SER A 7 -22.072 -35.404 31.688 1.00 35.81 C ATOM 14 OG SER A 7 -21.390 -36.593 32.012 1.00 35.70 O ATOM 0 H SER A 7 -21.521 -35.694 29.271 1.00 34.30 H new ATOM 0 HA SER A 7 -21.608 -33.618 30.837 1.00 34.54 H new ATOM 0 HB2 SER A 7 -22.331 -34.942 32.501 1.00 35.81 H new ATOM 0 HB3 SER A 7 -22.889 -35.614 31.209 1.00 35.81 H new ATOM 0 HG SER A 7 -21.373 -36.688 32.846 1.00 35.70 H new ATOM 15 N LEU A 8 -18.852 -35.191 30.907 1.00 31.00 N ATOM 16 CA LEU A 8 -17.468 -35.264 31.395 1.00 28.76 C ATOM 17 C LEU A 8 -17.414 -35.822 32.812 1.00 29.68 C ATOM 18 O LEU A 8 -16.344 -35.951 33.394 1.00 28.54 O ATOM 19 CB LEU A 8 -16.768 -33.887 31.352 1.00 27.39 C ATOM 20 CG LEU A 8 -16.686 -33.128 30.028 1.00 24.83 C ATOM 21 CD1 LEU A 8 -16.087 -31.731 30.210 1.00 25.36 C ATOM 22 CD2 LEU A 8 -15.909 -33.930 28.987 1.00 27.82 C ATOM 0 H LEU A 8 -19.014 -35.727 30.254 1.00 31.00 H new ATOM 0 HA LEU A 8 -16.994 -35.865 30.799 1.00 28.76 H new ATOM 0 HB2 LEU A 8 -17.218 -33.312 31.990 1.00 27.39 H new ATOM 0 HB3 LEU A 8 -15.861 -34.011 31.673 1.00 27.39 H new ATOM 0 HG LEU A 8 -17.592 -33.011 29.703 1.00 24.83 H new ATOM 0 HD11 LEU A 8 -16.050 -31.280 29.352 1.00 25.36 H new ATOM 0 HD12 LEU A 8 -16.640 -31.219 30.821 1.00 25.36 H new ATOM 0 HD13 LEU A 8 -15.191 -31.808 30.573 1.00 25.36 H new ATOM 0 HD21 LEU A 8 -15.870 -33.430 28.157 1.00 27.82 H new ATOM 0 HD22 LEU A 8 -15.009 -34.092 29.309 1.00 27.82 H new ATOM 0 HD23 LEU A 8 -16.354 -34.778 28.833 1.00 27.82 H new ATOM 23 N THR A 9 -18.579 -36.150 33.368 1.00 31.70 N ATOM 24 CA THR A 9 -18.643 -36.683 34.736 1.00 33.47 C ATOM 25 C THR A 9 -17.980 -38.052 34.835 1.00 33.39 C ATOM 26 O THR A 9 -17.511 -38.445 35.910 1.00 35.00 O ATOM 27 CB THR A 9 -20.081 -36.717 35.302 1.00 35.13 C ATOM 28 OG1 THR A 9 -20.907 -37.548 34.474 1.00 35.44 O ATOM 29 CG2 THR A 9 -20.660 -35.295 35.359 1.00 35.61 C ATOM 0 H THR A 9 -19.341 -36.074 32.976 1.00 31.70 H new ATOM 0 HA THR A 9 -18.142 -36.065 35.290 1.00 33.47 H new ATOM 0 HB THR A 9 -20.059 -37.082 36.200 1.00 35.13 H new ATOM 0 HG1 THR A 9 -21.687 -37.566 34.784 1.00 35.44 H new ATOM 0 HG21 THR A 9 -21.562 -35.327 35.715 1.00 35.61 H new ATOM 0 HG22 THR A 9 -20.106 -34.742 35.932 1.00 35.61 H new ATOM 0 HG23 THR A 9 -20.679 -34.917 34.466 1.00 35.61 H new ATOM 30 N ASN A 10 -17.900 -38.764 33.718 1.00 32.65 N ATOM 31 CA ASN A 10 -17.226 -40.063 33.721 1.00 32.57 C ATOM 32 C ASN A 10 -15.834 -40.060 33.087 1.00 30.33 C ATOM 33 O ASN A 10 -15.254 -41.109 32.806 1.00 29.84 O ATOM 34 CB ASN A 10 -18.130 -41.146 33.126 1.00 34.75 C ATOM 35 CG ASN A 10 -19.349 -41.423 33.998 1.00 39.10 C ATOM 36 OD1 ASN A 10 -20.491 -41.308 33.540 1.00 43.31 O ATOM 37 ND2 ASN A 10 -19.114 -41.773 35.267 1.00 42.32 N ATOM 0 H ASN A 10 -18.222 -38.522 32.958 1.00 32.65 H new ATOM 0 HA ASN A 10 -17.063 -40.274 34.654 1.00 32.57 H new ATOM 0 HB2 ASN A 10 -18.422 -40.872 32.243 1.00 34.75 H new ATOM 0 HB3 ASN A 10 -17.621 -41.964 33.015 1.00 34.75 H new ATOM 0 HD21 ASN A 10 -19.772 -41.928 35.799 1.00 42.32 H new ATOM 0 HD22 ASN A 10 -18.305 -41.843 35.551 1.00 42.32 H new ATOM 38 N SER A 11 -15.290 -38.861 32.883 1.00 26.94 N ATOM 39 CA SER A 11 -13.911 -38.734 32.443 1.00 23.98 C ATOM 40 C SER A 11 -12.960 -39.130 33.572 1.00 24.13 C ATOM 41 O SER A 11 -12.992 -38.529 34.648 1.00 25.56 O ATOM 42 CB SER A 11 -13.635 -37.296 32.017 1.00 22.38 C ATOM 43 OG SER A 11 -12.243 -37.085 31.792 1.00 18.33 O ATOM 0 H SER A 11 -15.703 -38.115 32.994 1.00 26.94 H new ATOM 0 HA SER A 11 -13.766 -39.325 31.688 1.00 23.98 H new ATOM 0 HB2 SER A 11 -14.131 -37.095 31.208 1.00 22.38 H new ATOM 0 HB3 SER A 11 -13.951 -36.686 32.702 1.00 22.38 H new ATOM 0 HG SER A 11 -12.041 -37.347 31.020 1.00 18.33 H new ATOM 44 N SER A 12 -12.057 -40.060 33.297 1.00 23.94 N ATOM 45 CA SER A 12 -10.980 -40.345 34.263 1.00 25.60 C ATOM 46 C SER A 12 -9.882 -39.273 34.298 1.00 23.07 C ATOM 47 O SER A 12 -9.263 -39.065 35.346 1.00 23.54 O ATOM 48 CB SER A 12 -10.366 -41.738 34.055 1.00 27.78 C ATOM 49 OG SER A 12 -9.447 -41.761 32.964 1.00 31.53 O ATOM 0 H SER A 12 -12.040 -40.532 32.578 1.00 23.94 H new ATOM 0 HA SER A 12 -11.414 -40.328 35.130 1.00 25.60 H new ATOM 0 HB2 SER A 12 -9.911 -42.014 34.866 1.00 27.78 H new ATOM 0 HB3 SER A 12 -11.074 -42.382 33.894 1.00 27.78 H new ATOM 0 HG SER A 12 -9.858 -41.948 32.255 1.00 31.53 H new ATOM 50 N LEU A 13 -9.664 -38.561 33.189 1.00 19.74 N ATOM 51 CA LEU A 13 -8.640 -37.510 33.183 1.00 17.57 C ATOM 52 C LEU A 13 -9.074 -36.212 33.852 1.00 16.91 C ATOM 53 O LEU A 13 -8.287 -35.582 34.546 1.00 16.19 O ATOM 54 CB LEU A 13 -8.180 -37.193 31.762 1.00 17.90 C ATOM 55 CG LEU A 13 -7.343 -38.245 31.025 1.00 16.50 C ATOM 56 CD1 LEU A 13 -6.947 -37.674 29.709 1.00 16.30 C ATOM 57 CD2 LEU A 13 -6.081 -38.642 31.840 1.00 23.11 C ATOM 0 H LEU A 13 -10.086 -38.666 32.447 1.00 19.74 H new ATOM 0 HA LEU A 13 -7.910 -37.878 33.705 1.00 17.57 H new ATOM 0 HB2 LEU A 13 -8.969 -37.013 31.227 1.00 17.90 H new ATOM 0 HB3 LEU A 13 -7.665 -36.372 31.793 1.00 17.90 H new ATOM 0 HG LEU A 13 -7.870 -39.051 30.905 1.00 16.50 H new ATOM 0 HD11 LEU A 13 -6.415 -38.322 29.222 1.00 16.30 H new ATOM 0 HD12 LEU A 13 -7.742 -37.459 29.197 1.00 16.30 H new ATOM 0 HD13 LEU A 13 -6.425 -36.868 29.849 1.00 16.30 H new ATOM 0 HD21 LEU A 13 -5.574 -39.307 31.348 1.00 23.11 H new ATOM 0 HD22 LEU A 13 -5.529 -37.858 31.985 1.00 23.11 H new ATOM 0 HD23 LEU A 13 -6.351 -39.010 32.696 1.00 23.11 H new ATOM 58 N MET A 14 -10.325 -35.841 33.654 1.00 16.43 N ATOM 59 CA AMET A 14 -10.827 -34.523 34.056 0.46 18.09 C ATOM 60 CA BMET A 14 -10.822 -34.508 34.074 0.54 17.22 C ATOM 61 C MET A 14 -10.427 -34.098 35.475 1.00 18.85 C ATOM 62 O MET A 14 -9.908 -32.985 35.680 1.00 18.42 O ATOM 63 CB AMET A 14 -12.347 -34.487 33.861 0.46 18.89 C ATOM 64 CB BMET A 14 -12.346 -34.377 33.918 0.54 17.86 C ATOM 65 CG AMET A 14 -12.988 -33.159 34.102 0.46 20.00 C ATOM 66 CG BMET A 14 -12.801 -33.816 32.587 0.54 13.10 C ATOM 67 SD AMET A 14 -12.464 -31.843 32.979 0.46 17.76 S ATOM 68 SD BMET A 14 -12.383 -32.101 32.196 0.54 13.06 S ATOM 69 CE AMET A 14 -13.777 -30.676 33.382 0.46 19.32 C ATOM 70 CE BMET A 14 -13.559 -31.262 33.278 0.54 16.30 C ATOM 0 H AMET A 14 -10.916 -36.342 33.282 0.46 16.43 H new ATOM 0 H BMET A 14 -10.918 -36.337 33.277 0.54 16.43 H new ATOM 0 HA AMET A 14 -10.401 -33.867 33.482 0.46 17.22 H new ATOM 0 HA BMET A 14 -10.378 -33.898 33.465 0.54 17.22 H new ATOM 0 HB2AMET A 14 -12.549 -34.768 32.955 0.46 17.86 H new ATOM 0 HB2BMET A 14 -12.748 -35.251 34.041 0.54 17.86 H new ATOM 0 HB3AMET A 14 -12.751 -35.138 34.456 0.46 17.86 H new ATOM 0 HB3BMET A 14 -12.684 -33.808 34.627 0.54 17.86 H new ATOM 0 HG2AMET A 14 -13.950 -33.262 34.032 0.46 13.10 H new ATOM 0 HG2BMET A 14 -12.433 -34.378 31.887 0.54 13.10 H new ATOM 0 HG3AMET A 14 -12.798 -32.884 35.012 0.46 13.10 H new ATOM 0 HG3BMET A 14 -13.766 -33.903 32.543 0.54 13.10 H new ATOM 0 HE1AMET A 14 -13.885 -30.045 32.653 0.46 16.30 H new ATOM 0 HE1BMET A 14 -13.459 -30.302 33.183 0.54 16.30 H new ATOM 0 HE2AMET A 14 -14.608 -31.158 33.518 0.46 16.30 H new ATOM 0 HE2BMET A 14 -14.462 -31.518 33.035 0.54 16.30 H new ATOM 0 HE3AMET A 14 -13.546 -30.196 34.192 0.46 16.30 H new ATOM 0 HE3BMET A 14 -13.389 -31.514 34.199 0.54 16.30 H new ATOM 71 N PRO A 15 -10.665 -34.972 36.489 1.00 20.33 N ATOM 72 CA PRO A 15 -10.381 -34.526 37.859 1.00 21.56 C ATOM 73 C PRO A 15 -8.921 -34.141 38.123 1.00 20.64 C ATOM 74 O PRO A 15 -8.653 -33.372 39.049 1.00 22.01 O ATOM 75 CB PRO A 15 -10.751 -35.736 38.718 1.00 23.04 C ATOM 76 CG PRO A 15 -11.564 -36.592 37.873 1.00 22.86 C ATOM 77 CD PRO A 15 -11.211 -36.347 36.463 1.00 21.27 C ATOM 0 HA PRO A 15 -10.878 -33.715 38.050 1.00 21.56 H new ATOM 0 HB2 PRO A 15 -9.957 -36.202 39.022 1.00 23.04 H new ATOM 0 HB3 PRO A 15 -11.241 -35.463 39.510 1.00 23.04 H new ATOM 0 HG2 PRO A 15 -11.416 -37.524 38.099 1.00 22.86 H new ATOM 0 HG3 PRO A 15 -12.506 -36.411 38.019 1.00 22.86 H new ATOM 0 HD2 PRO A 15 -10.557 -36.987 36.140 1.00 21.27 H new ATOM 0 HD3 PRO A 15 -11.985 -36.415 35.882 1.00 21.27 H new ATOM 78 N THR A 16 -8.021 -34.633 37.270 1.00 19.60 N ATOM 79 CA THR A 16 -6.572 -34.525 37.428 1.00 20.22 C ATOM 80 C THR A 16 -5.953 -33.430 36.521 1.00 18.50 C ATOM 81 O THR A 16 -4.735 -33.196 36.529 1.00 18.57 O ATOM 82 CB THR A 16 -5.893 -35.896 37.115 1.00 20.83 C ATOM 83 OG1 THR A 16 -5.901 -36.126 35.704 1.00 23.94 O ATOM 84 CG2 THR A 16 -6.629 -37.063 37.832 1.00 24.32 C ATOM 0 H THR A 16 -8.248 -35.055 36.556 1.00 19.60 H new ATOM 0 HA THR A 16 -6.410 -34.271 38.350 1.00 20.22 H new ATOM 0 HB THR A 16 -4.980 -35.863 37.440 1.00 20.83 H new ATOM 0 HG1 THR A 16 -6.660 -35.944 35.395 1.00 23.94 H new ATOM 0 HG21 THR A 16 -6.189 -37.901 37.622 1.00 24.32 H new ATOM 0 HG22 THR A 16 -6.608 -36.919 38.791 1.00 24.32 H new ATOM 0 HG23 THR A 16 -7.551 -37.098 37.531 1.00 24.32 H new ATOM 85 N LEU A 17 -6.779 -32.768 35.712 1.00 15.73 N ATOM 86 CA LEU A 17 -6.234 -31.791 34.763 1.00 13.82 C ATOM 87 C LEU A 17 -6.113 -30.392 35.347 1.00 12.21 C ATOM 88 O LEU A 17 -6.799 -30.002 36.276 1.00 13.14 O ATOM 89 CB LEU A 17 -7.111 -31.734 33.508 1.00 13.51 C ATOM 90 CG LEU A 17 -7.154 -33.029 32.683 1.00 13.63 C ATOM 91 CD1 LEU A 17 -8.228 -32.875 31.629 1.00 14.89 C ATOM 92 CD2 LEU A 17 -5.835 -33.374 32.058 1.00 18.26 C ATOM 0 H LEU A 17 -7.633 -32.863 35.693 1.00 15.73 H new ATOM 0 HA LEU A 17 -5.339 -32.093 34.544 1.00 13.82 H new ATOM 0 HB2 LEU A 17 -8.016 -31.506 33.773 1.00 13.51 H new ATOM 0 HB3 LEU A 17 -6.792 -31.016 32.940 1.00 13.51 H new ATOM 0 HG LEU A 17 -7.358 -33.767 33.278 1.00 13.63 H new ATOM 0 HD11 LEU A 17 -8.274 -33.683 31.094 1.00 14.89 H new ATOM 0 HD12 LEU A 17 -9.084 -32.723 32.059 1.00 14.89 H new ATOM 0 HD13 LEU A 17 -8.015 -32.121 31.058 1.00 14.89 H new ATOM 0 HD21 LEU A 17 -5.922 -34.197 31.552 1.00 18.26 H new ATOM 0 HD22 LEU A 17 -5.561 -32.657 31.465 1.00 18.26 H new ATOM 0 HD23 LEU A 17 -5.168 -33.491 32.753 1.00 18.26 H new ATOM 93 N ASN A 18 -5.199 -29.620 34.759 1.00 11.30 N ATOM 94 CA ASN A 18 -5.036 -28.197 35.078 1.00 10.91 C ATOM 95 C ASN A 18 -6.368 -27.496 35.156 1.00 11.04 C ATOM 96 O ASN A 18 -7.243 -27.706 34.295 1.00 10.49 O ATOM 97 CB ASN A 18 -4.161 -27.577 33.974 1.00 11.85 C ATOM 98 CG ASN A 18 -4.128 -26.098 34.017 1.00 12.22 C ATOM 99 OD1 ASN A 18 -5.027 -25.471 33.431 1.00 13.31 O ATOM 100 ND2 ASN A 18 -3.161 -25.523 34.675 1.00 12.26 N ATOM 0 H ASN A 18 -4.652 -29.907 34.160 1.00 11.30 H new ATOM 0 HA ASN A 18 -4.616 -28.097 35.947 1.00 10.91 H new ATOM 0 HB2 ASN A 18 -3.256 -27.917 34.057 1.00 11.85 H new ATOM 0 HB3 ASN A 18 -4.493 -27.862 33.108 1.00 11.85 H new ATOM 0 HD21 ASN A 18 -3.122 -24.665 34.720 1.00 12.26 H new ATOM 0 HD22 ASN A 18 -2.562 -26.002 35.064 1.00 12.26 H new ATOM 101 N PRO A 19 -6.546 -26.586 36.154 1.00 10.92 N ATOM 102 CA PRO A 19 -7.845 -25.938 36.299 1.00 10.67 C ATOM 103 C PRO A 19 -8.378 -25.134 35.113 1.00 10.29 C ATOM 104 O PRO A 19 -9.595 -25.110 34.888 1.00 10.40 O ATOM 105 CB PRO A 19 -7.645 -25.042 37.554 1.00 13.75 C ATOM 106 CG PRO A 19 -6.578 -25.789 38.334 1.00 16.62 C ATOM 107 CD PRO A 19 -5.634 -26.299 37.283 1.00 12.62 C ATOM 0 HA PRO A 19 -8.535 -26.616 36.369 1.00 10.67 H new ATOM 0 HB2 PRO A 19 -7.356 -24.147 37.315 1.00 13.75 H new ATOM 0 HB3 PRO A 19 -8.465 -24.949 38.064 1.00 13.75 H new ATOM 0 HG2 PRO A 19 -6.125 -25.205 38.962 1.00 16.62 H new ATOM 0 HG3 PRO A 19 -6.961 -26.517 38.849 1.00 16.62 H new ATOM 0 HD2 PRO A 19 -4.963 -25.639 37.048 1.00 12.62 H new ATOM 0 HD3 PRO A 19 -5.160 -27.093 37.576 1.00 12.62 H new ATOM 108 N MET A 20 -7.514 -24.451 34.373 1.00 9.83 N ATOM 109 CA AMET A 20 -7.966 -23.760 33.191 0.53 9.80 C ATOM 110 CA BMET A 20 -7.977 -23.749 33.185 0.47 9.96 C ATOM 111 C MET A 20 -8.465 -24.739 32.134 1.00 9.06 C ATOM 112 O MET A 20 -9.475 -24.482 31.499 1.00 9.51 O ATOM 113 CB AMET A 20 -6.834 -22.899 32.643 0.53 9.73 C ATOM 114 CB BMET A 20 -6.901 -22.793 32.625 0.47 9.95 C ATOM 115 CG AMET A 20 -7.269 -21.943 31.590 0.53 8.49 C ATOM 116 CG BMET A 20 -7.216 -22.231 31.247 0.47 9.92 C ATOM 117 SD AMET A 20 -5.785 -21.226 30.816 0.53 9.00 S ATOM 118 SD BMET A 20 -6.359 -20.742 30.753 0.47 13.21 S ATOM 119 CE AMET A 20 -6.555 -20.190 29.551 0.53 12.70 C ATOM 120 CE BMET A 20 -6.745 -20.643 29.022 0.47 13.91 C ATOM 0 H AMET A 20 -6.673 -24.379 34.540 0.53 9.83 H new ATOM 0 H BMET A 20 -6.673 -24.382 34.536 0.47 9.83 H new ATOM 0 HA AMET A 20 -8.713 -23.190 33.430 0.53 9.96 H new ATOM 0 HA BMET A 20 -8.730 -23.193 33.441 0.47 9.96 H new ATOM 0 HB2AMET A 20 -6.432 -22.403 33.373 0.53 9.95 H new ATOM 0 HB2BMET A 20 -6.785 -22.056 33.244 0.47 9.95 H new ATOM 0 HB3AMET A 20 -6.145 -23.477 32.280 0.53 9.95 H new ATOM 0 HB3BMET A 20 -6.054 -23.265 32.584 0.47 9.95 H new ATOM 0 HG2AMET A 20 -7.811 -22.397 30.925 0.53 9.92 H new ATOM 0 HG2BMET A 20 -7.024 -22.919 30.591 0.47 9.92 H new ATOM 0 HG3AMET A 20 -7.820 -21.244 31.976 0.53 9.92 H new ATOM 0 HG3BMET A 20 -8.169 -22.057 31.205 0.47 9.92 H new ATOM 0 HE1AMET A 20 -6.356 -20.550 28.672 0.53 13.91 H new ATOM 0 HE1BMET A 20 -6.225 -19.933 28.614 0.47 13.91 H new ATOM 0 HE2AMET A 20 -7.516 -20.177 29.684 0.53 13.91 H new ATOM 0 HE2BMET A 20 -6.531 -21.487 28.594 0.47 13.91 H new ATOM 0 HE3AMET A 20 -6.207 -19.287 29.616 0.53 13.91 H new ATOM 0 HE3BMET A 20 -7.690 -20.455 28.911 0.47 13.91 H new ATOM 121 N ILE A 21 -7.745 -25.831 31.952 1.00 8.90 N ATOM 122 CA ILE A 21 -8.207 -26.900 31.040 1.00 8.86 C ATOM 123 C ILE A 21 -9.564 -27.426 31.480 1.00 7.85 C ATOM 124 O ILE A 21 -10.463 -27.614 30.661 1.00 8.80 O ATOM 125 CB ILE A 21 -7.142 -27.990 30.969 1.00 8.65 C ATOM 126 CG1 ILE A 21 -5.991 -27.484 30.082 1.00 8.65 C ATOM 127 CG2 ILE A 21 -7.756 -29.297 30.402 1.00 10.48 C ATOM 128 CD1 ILE A 21 -4.786 -28.468 29.994 1.00 9.60 C ATOM 0 H ILE A 21 -6.991 -25.985 32.336 1.00 8.90 H new ATOM 0 HA ILE A 21 -8.330 -26.548 30.144 1.00 8.86 H new ATOM 0 HB ILE A 21 -6.800 -28.189 31.855 1.00 8.65 H new ATOM 0 HG12 ILE A 21 -6.330 -27.321 29.188 1.00 8.65 H new ATOM 0 HG13 ILE A 21 -5.678 -26.633 30.427 1.00 8.65 H new ATOM 0 HG21 ILE A 21 -7.073 -29.984 30.360 1.00 10.48 H new ATOM 0 HG22 ILE A 21 -8.477 -29.593 30.979 1.00 10.48 H new ATOM 0 HG23 ILE A 21 -8.103 -29.132 29.511 1.00 10.48 H new ATOM 0 HD11 ILE A 21 -4.100 -28.089 29.422 1.00 9.60 H new ATOM 0 HD12 ILE A 21 -4.422 -28.615 30.881 1.00 9.60 H new ATOM 0 HD13 ILE A 21 -5.085 -29.313 29.623 1.00 9.60 H new ATOM 129 N GLN A 22 -9.730 -27.649 32.788 1.00 8.50 N ATOM 130 CA GLN A 22 -11.049 -28.151 33.240 1.00 8.73 C ATOM 131 C GLN A 22 -12.157 -27.162 32.868 1.00 8.69 C ATOM 132 O GLN A 22 -13.245 -27.561 32.438 1.00 10.09 O ATOM 133 CB GLN A 22 -11.085 -28.336 34.756 1.00 10.40 C ATOM 134 CG GLN A 22 -10.151 -29.460 35.241 1.00 12.16 C ATOM 135 CD GLN A 22 -10.215 -29.617 36.764 1.00 15.64 C ATOM 136 OE1 GLN A 22 -10.339 -28.631 37.506 1.00 18.94 O ATOM 137 NE2 GLN A 22 -10.190 -30.859 37.246 1.00 18.49 N ATOM 0 H GLN A 22 -9.138 -27.528 33.400 1.00 8.50 H new ATOM 0 HA GLN A 22 -11.190 -29.004 32.801 1.00 8.73 H new ATOM 0 HB2 GLN A 22 -10.833 -27.504 35.186 1.00 10.40 H new ATOM 0 HB3 GLN A 22 -11.994 -28.534 35.032 1.00 10.40 H new ATOM 0 HG2 GLN A 22 -10.400 -30.296 34.817 1.00 12.16 H new ATOM 0 HG3 GLN A 22 -9.240 -29.265 34.972 1.00 12.16 H new ATOM 0 HE21 GLN A 22 -10.103 -31.526 36.711 1.00 18.49 H new ATOM 0 HE22 GLN A 22 -10.261 -30.993 38.092 1.00 18.49 H new ATOM 138 N GLN A 23 -11.941 -25.849 33.112 1.00 9.40 N ATOM 139 CA GLN A 23 -12.987 -24.886 32.829 1.00 9.49 C ATOM 140 C GLN A 23 -13.282 -24.782 31.352 1.00 9.34 C ATOM 141 O GLN A 23 -14.420 -24.625 30.925 1.00 9.64 O ATOM 142 CB GLN A 23 -12.636 -23.474 33.375 1.00 10.88 C ATOM 143 CG GLN A 23 -12.650 -23.391 34.924 1.00 12.59 C ATOM 144 CD GLN A 23 -14.052 -23.356 35.529 1.00 15.43 C ATOM 145 OE1 GLN A 23 -15.073 -23.373 34.733 1.00 19.63 O flip ATOM 146 NE2 GLN A 23 -14.164 -23.255 36.757 1.00 12.90 N flip ATOM 0 H GLN A 23 -11.214 -25.520 33.431 1.00 9.40 H new ATOM 0 HA GLN A 23 -13.778 -25.216 33.283 1.00 9.49 H new ATOM 0 HB2 GLN A 23 -11.758 -23.219 33.052 1.00 10.88 H new ATOM 0 HB3 GLN A 23 -13.267 -22.830 33.018 1.00 10.88 H new ATOM 0 HG2 GLN A 23 -12.171 -24.153 35.284 1.00 12.59 H new ATOM 0 HG3 GLN A 23 -12.168 -22.596 35.201 1.00 12.59 H new ATOM 0 HE21 GLN A 23 -13.462 -23.247 37.254 1.00 12.90 H new ATOM 0 HE22 GLN A 23 -14.944 -23.193 37.114 1.00 12.90 H new ATOM 147 N LEU A 24 -12.226 -24.900 30.542 1.00 8.08 N ATOM 148 CA ALEU A 24 -12.441 -24.831 29.109 0.51 8.73 C ATOM 149 CA BLEU A 24 -12.426 -24.856 29.093 0.49 8.76 C ATOM 150 C LEU A 24 -13.181 -26.093 28.597 1.00 8.74 C ATOM 151 O LEU A 24 -14.078 -26.004 27.743 1.00 8.50 O ATOM 152 CB ALEU A 24 -11.111 -24.608 28.364 0.51 9.33 C ATOM 153 CB BLEU A 24 -11.085 -24.742 28.352 0.49 9.38 C ATOM 154 CG ALEU A 24 -11.238 -24.370 26.866 0.51 9.88 C ATOM 155 CG BLEU A 24 -10.625 -23.300 28.248 0.49 9.36 C ATOM 156 CD1ALEU A 24 -12.225 -23.265 26.563 0.51 10.09 C ATOM 157 CD1BLEU A 24 -9.131 -23.216 27.942 0.49 11.84 C ATOM 158 CD2ALEU A 24 -9.902 -24.033 26.284 0.51 10.86 C ATOM 159 CD2BLEU A 24 -11.411 -22.540 27.208 0.49 10.56 C ATOM 0 H ALEU A 24 -11.412 -25.016 30.795 0.51 8.08 H new ATOM 0 H BLEU A 24 -11.412 -25.003 30.801 0.49 8.08 H new ATOM 0 HA ALEU A 24 -13.010 -24.067 28.924 0.51 8.76 H new ATOM 0 HA BLEU A 24 -12.959 -24.068 28.903 0.49 8.76 H new ATOM 0 HB2ALEU A 24 -10.659 -23.847 28.760 0.51 9.38 H new ATOM 0 HB2BLEU A 24 -10.412 -25.264 28.817 0.49 9.38 H new ATOM 0 HB3ALEU A 24 -10.543 -25.381 28.507 0.51 9.38 H new ATOM 0 HB3BLEU A 24 -11.173 -25.119 27.463 0.49 9.38 H new ATOM 0 HG ALEU A 24 -11.569 -25.188 26.462 0.51 9.36 H new ATOM 0 HG BLEU A 24 -10.787 -22.888 29.111 0.49 9.36 H new ATOM 0 HD11ALEU A 24 -12.284 -23.137 25.603 0.51 11.84 H new ATOM 0 HD11BLEU A 24 -8.865 -22.285 27.881 0.49 11.84 H new ATOM 0 HD12ALEU A 24 -13.098 -23.506 26.911 0.51 11.84 H new ATOM 0 HD12BLEU A 24 -8.630 -23.649 28.651 0.49 11.84 H new ATOM 0 HD13ALEU A 24 -11.927 -22.442 26.981 0.51 11.84 H new ATOM 0 HD13BLEU A 24 -8.948 -23.660 27.099 0.49 11.84 H new ATOM 0 HD21ALEU A 24 -9.993 -23.883 25.330 0.51 10.56 H new ATOM 0 HD21BLEU A 24 -11.093 -21.625 27.167 0.49 10.56 H new ATOM 0 HD22ALEU A 24 -9.558 -23.230 26.706 0.51 10.56 H new ATOM 0 HD22BLEU A 24 -11.295 -22.962 26.342 0.49 10.56 H new ATOM 0 HD23ALEU A 24 -9.287 -24.767 26.438 0.51 10.56 H new ATOM 0 HD23BLEU A 24 -12.351 -22.545 27.446 0.49 10.56 H new ATOM 160 N ALA A 25 -12.830 -27.275 29.110 1.00 8.67 N ATOM 161 CA ALA A 25 -13.546 -28.499 28.725 1.00 9.07 C ATOM 162 C ALA A 25 -15.024 -28.375 29.085 1.00 9.96 C ATOM 163 O ALA A 25 -15.903 -28.706 28.277 1.00 9.63 O ATOM 164 CB ALA A 25 -12.934 -29.687 29.476 1.00 10.25 C ATOM 0 H ALA A 25 -12.191 -27.391 29.674 1.00 8.67 H new ATOM 0 HA ALA A 25 -13.467 -28.634 27.768 1.00 9.07 H new ATOM 0 HB1 ALA A 25 -13.400 -30.501 29.229 1.00 10.25 H new ATOM 0 HB2 ALA A 25 -11.996 -29.769 29.243 1.00 10.25 H new ATOM 0 HB3 ALA A 25 -13.018 -29.544 30.432 1.00 10.25 H new ATOM 165 N LEU A 26 -15.310 -27.850 30.280 1.00 10.19 N ATOM 166 CA LEU A 26 -16.687 -27.660 30.662 1.00 10.68 C ATOM 167 C LEU A 26 -17.406 -26.675 29.772 1.00 9.78 C ATOM 168 O LEU A 26 -18.591 -26.890 29.419 1.00 11.34 O ATOM 169 CB LEU A 26 -16.725 -27.150 32.113 1.00 13.31 C ATOM 170 CG LEU A 26 -18.102 -27.091 32.774 1.00 16.38 C ATOM 171 CD1 LEU A 26 -18.594 -28.492 33.127 1.00 22.68 C ATOM 172 CD2 LEU A 26 -17.934 -26.256 34.048 1.00 18.61 C ATOM 0 H LEU A 26 -14.728 -27.606 30.864 1.00 10.19 H new ATOM 0 HA LEU A 26 -17.141 -28.512 30.573 1.00 10.68 H new ATOM 0 HB2 LEU A 26 -16.153 -27.720 32.651 1.00 13.31 H new ATOM 0 HB3 LEU A 26 -16.339 -26.260 32.133 1.00 13.31 H new ATOM 0 HG LEU A 26 -18.756 -26.699 32.175 1.00 16.38 H new ATOM 0 HD11 LEU A 26 -19.468 -28.433 33.545 1.00 22.68 H new ATOM 0 HD12 LEU A 26 -18.658 -29.026 32.320 1.00 22.68 H new ATOM 0 HD13 LEU A 26 -17.970 -28.909 33.742 1.00 22.68 H new ATOM 0 HD21 LEU A 26 -18.786 -26.189 34.506 1.00 18.61 H new ATOM 0 HD22 LEU A 26 -17.287 -26.682 34.631 1.00 18.61 H new ATOM 0 HD23 LEU A 26 -17.623 -25.368 33.814 1.00 18.61 H new ATOM 173 N ALA A 27 -16.747 -25.563 29.395 1.00 9.47 N ATOM 174 CA ALA A 27 -17.359 -24.574 28.548 1.00 9.19 C ATOM 175 C ALA A 27 -17.668 -25.119 27.154 1.00 9.03 C ATOM 176 O ALA A 27 -18.705 -24.803 26.567 1.00 10.00 O ATOM 177 CB ALA A 27 -16.478 -23.327 28.466 1.00 10.07 C ATOM 0 H ALA A 27 -15.941 -25.379 29.631 1.00 9.47 H new ATOM 0 HA ALA A 27 -18.208 -24.331 28.949 1.00 9.19 H new ATOM 0 HB1 ALA A 27 -16.901 -22.669 27.893 1.00 10.07 H new ATOM 0 HB2 ALA A 27 -16.361 -22.954 29.354 1.00 10.07 H new ATOM 0 HB3 ALA A 27 -15.612 -23.566 28.099 1.00 10.07 H new ATOM 178 N ILE A 28 -16.757 -25.912 26.599 1.00 8.31 N ATOM 179 CA ILE A 28 -16.979 -26.486 25.289 1.00 8.02 C ATOM 180 C ILE A 28 -18.145 -27.465 25.370 1.00 8.82 C ATOM 181 O ILE A 28 -19.063 -27.445 24.522 1.00 8.97 O ATOM 182 CB ILE A 28 -15.686 -27.157 24.780 1.00 8.52 C ATOM 183 CG1 ILE A 28 -14.665 -26.082 24.474 1.00 8.35 C ATOM 184 CG2 ILE A 28 -15.973 -27.988 23.494 1.00 9.94 C ATOM 185 CD1 ILE A 28 -13.225 -26.638 24.388 1.00 9.83 C ATOM 0 H ILE A 28 -16.009 -26.126 26.966 1.00 8.31 H new ATOM 0 HA ILE A 28 -17.209 -25.794 24.650 1.00 8.02 H new ATOM 0 HB ILE A 28 -15.346 -27.756 25.463 1.00 8.52 H new ATOM 0 HG12 ILE A 28 -14.893 -25.653 23.634 1.00 8.35 H new ATOM 0 HG13 ILE A 28 -14.704 -25.399 25.161 1.00 8.35 H new ATOM 0 HG21 ILE A 28 -15.152 -28.403 23.187 1.00 9.94 H new ATOM 0 HG22 ILE A 28 -16.628 -28.676 23.692 1.00 9.94 H new ATOM 0 HG23 ILE A 28 -16.318 -27.404 22.801 1.00 9.94 H new ATOM 0 HD11 ILE A 28 -12.610 -25.914 24.191 1.00 9.83 H new ATOM 0 HD12 ILE A 28 -12.984 -27.045 25.235 1.00 9.83 H new ATOM 0 HD13 ILE A 28 -13.176 -27.304 23.684 1.00 9.83 H new ATOM 186 N ALA A 29 -18.127 -28.367 26.366 1.00 8.78 N ATOM 187 CA ALA A 29 -19.192 -29.344 26.523 1.00 10.01 C ATOM 188 C ALA A 29 -20.494 -28.618 26.712 1.00 11.34 C ATOM 189 O ALA A 29 -21.519 -29.035 26.104 1.00 12.05 O ATOM 190 CB ALA A 29 -18.877 -30.260 27.697 1.00 12.22 C ATOM 0 H ALA A 29 -17.503 -28.421 26.955 1.00 8.78 H new ATOM 0 HA ALA A 29 -19.265 -29.899 25.731 1.00 10.01 H new ATOM 0 HB1 ALA A 29 -19.589 -30.911 27.800 1.00 12.22 H new ATOM 0 HB2 ALA A 29 -18.039 -30.721 27.533 1.00 12.22 H new ATOM 0 HB3 ALA A 29 -18.802 -29.733 28.508 1.00 12.22 H new ATOM 191 N ALA A 30 -20.537 -27.522 27.460 1.00 12.25 N ATOM 192 CA ALA A 30 -21.784 -26.765 27.656 1.00 12.99 C ATOM 193 C ALA A 30 -22.282 -26.130 26.361 1.00 13.40 C ATOM 194 O ALA A 30 -23.509 -26.064 26.088 1.00 14.19 O ATOM 195 CB ALA A 30 -21.614 -25.695 28.751 1.00 15.61 C ATOM 0 H ALA A 30 -19.855 -27.193 27.868 1.00 12.25 H new ATOM 0 HA ALA A 30 -22.457 -27.401 27.945 1.00 12.99 H new ATOM 0 HB1 ALA A 30 -22.447 -25.210 28.862 1.00 15.61 H new ATOM 0 HB2 ALA A 30 -21.376 -26.123 29.588 1.00 15.61 H new ATOM 0 HB3 ALA A 30 -20.912 -25.077 28.493 1.00 15.61 H new ATOM 196 N SER A 31 -21.368 -25.683 25.508 1.00 10.18 N ATOM 197 CA ASER A 31 -21.781 -25.089 24.254 0.50 10.41 C ATOM 198 CA BSER A 31 -21.726 -25.095 24.222 0.50 9.66 C ATOM 199 C SER A 31 -22.400 -26.128 23.340 1.00 10.11 C ATOM 200 O SER A 31 -23.339 -25.814 22.604 1.00 10.69 O ATOM 201 CB ASER A 31 -20.615 -24.378 23.567 0.50 10.53 C ATOM 202 CB BSER A 31 -20.466 -24.554 23.531 0.50 9.41 C ATOM 203 OG ASER A 31 -19.737 -25.273 22.925 0.50 13.10 O ATOM 204 OG BSER A 31 -20.713 -24.070 22.215 0.50 8.51 O ATOM 0 H ASER A 31 -20.518 -25.715 25.637 0.50 10.18 H new ATOM 0 H BSER A 31 -20.522 -25.712 25.658 0.50 10.18 H new ATOM 0 HA ASER A 31 -22.457 -24.422 24.451 0.50 9.66 H new ATOM 0 HA BSER A 31 -22.346 -24.364 24.372 0.50 9.66 H new ATOM 0 HB2ASER A 31 -20.963 -23.749 22.916 0.50 9.41 H new ATOM 0 HB2BSER A 31 -20.092 -23.838 24.068 0.50 9.41 H new ATOM 0 HB3ASER A 31 -20.122 -23.863 24.225 0.50 9.41 H new ATOM 0 HB3BSER A 31 -19.799 -25.257 23.491 0.50 9.41 H new ATOM 0 HG ASER A 31 -19.570 -25.918 23.437 0.50 8.51 H new ATOM 0 HG BSER A 31 -21.072 -23.312 22.258 0.50 8.51 H new ATOM 205 N TRP A 32 -21.885 -27.344 23.397 1.00 8.67 N ATOM 206 CA TRP A 32 -22.355 -28.411 22.506 1.00 8.82 C ATOM 207 C TRP A 32 -23.602 -29.159 23.008 1.00 8.62 C ATOM 208 O TRP A 32 -24.303 -29.806 22.219 1.00 8.92 O ATOM 209 CB TRP A 32 -21.262 -29.426 22.282 1.00 7.86 C ATOM 210 CG TRP A 32 -20.059 -28.892 21.544 1.00 8.39 C ATOM 211 CD1 TRP A 32 -19.867 -27.649 20.988 1.00 9.52 C ATOM 212 CD2 TRP A 32 -18.866 -29.622 21.316 1.00 7.46 C ATOM 213 NE1 TRP A 32 -18.616 -27.580 20.429 1.00 9.12 N ATOM 214 CE2 TRP A 32 -17.991 -28.782 20.614 1.00 8.03 C ATOM 215 CE3 TRP A 32 -18.455 -30.934 21.604 1.00 9.37 C ATOM 216 CZ2 TRP A 32 -16.716 -29.210 20.199 1.00 8.32 C ATOM 217 CZ3 TRP A 32 -17.189 -31.359 21.213 1.00 9.84 C ATOM 218 CH2 TRP A 32 -16.337 -30.499 20.523 1.00 10.09 C ATOM 0 H TRP A 32 -21.263 -27.580 23.941 1.00 8.67 H new ATOM 0 HA TRP A 32 -22.600 -27.959 21.684 1.00 8.82 H new ATOM 0 HB2 TRP A 32 -20.974 -29.770 23.142 1.00 7.86 H new ATOM 0 HB3 TRP A 32 -21.627 -30.174 21.785 1.00 7.86 H new ATOM 0 HD1 TRP A 32 -20.491 -26.959 20.991 1.00 9.52 H new ATOM 0 HE1 TRP A 32 -18.281 -26.896 20.030 1.00 9.12 H new ATOM 0 HE3 TRP A 32 -19.026 -31.515 22.053 1.00 9.37 H new ATOM 0 HZ2 TRP A 32 -16.149 -28.646 19.724 1.00 8.32 H new ATOM 0 HZ3 TRP A 32 -16.910 -32.223 21.414 1.00 9.84 H new ATOM 0 HH2 TRP A 32 -15.493 -30.800 20.274 1.00 10.09 H new ATOM 219 N GLN A 33 -23.868 -29.108 24.315 1.00 10.58 N ATOM 220 CA AGLN A 33 -24.722 -30.154 24.907 0.50 10.73 C ATOM 221 CA BGLN A 33 -24.784 -30.057 24.982 0.50 10.88 C ATOM 222 C GLN A 33 -26.178 -30.132 24.367 1.00 9.62 C ATOM 223 O GLN A 33 -26.805 -31.192 24.353 1.00 11.06 O ATOM 224 CB AGLN A 33 -24.637 -30.055 26.428 0.50 11.76 C ATOM 225 CB BGLN A 33 -24.895 -29.701 26.458 0.50 11.34 C ATOM 226 CG AGLN A 33 -25.207 -28.744 26.892 0.50 14.96 C ATOM 227 CG BGLN A 33 -25.593 -30.849 27.241 0.50 16.78 C ATOM 228 CD AGLN A 33 -24.849 -28.278 28.316 0.50 22.06 C ATOM 229 CD BGLN A 33 -25.241 -30.883 28.714 0.50 22.93 C ATOM 230 OE1AGLN A 33 -24.151 -28.962 29.067 0.50 26.49 O ATOM 231 OE1BGLN A 33 -24.198 -30.366 29.129 0.50 26.07 O ATOM 232 NE2AGLN A 33 -25.342 -27.087 28.675 0.50 16.38 N ATOM 233 NE2BGLN A 33 -26.110 -31.499 29.513 0.50 26.66 N ATOM 0 H AGLN A 33 -23.581 -28.507 24.859 0.50 10.58 H new ATOM 0 H BGLN A 33 -23.525 -28.524 24.845 0.50 10.58 H new ATOM 0 HA AGLN A 33 -24.388 -31.023 24.635 0.50 10.88 H new ATOM 0 HA BGLN A 33 -24.394 -30.936 24.860 0.50 10.88 H new ATOM 0 HB2AGLN A 33 -25.123 -30.789 26.835 0.50 11.34 H new ATOM 0 HB2BGLN A 33 -24.012 -29.541 26.826 0.50 11.34 H new ATOM 0 HB3AGLN A 33 -23.713 -30.133 26.713 0.50 11.34 H new ATOM 0 HB3BGLN A 33 -25.398 -28.878 26.561 0.50 11.34 H new ATOM 0 HG2AGLN A 33 -24.920 -28.056 26.271 0.50 16.78 H new ATOM 0 HG2BGLN A 33 -26.554 -30.755 27.148 0.50 16.78 H new ATOM 0 HG3AGLN A 33 -26.173 -28.798 26.829 0.50 16.78 H new ATOM 0 HG3BGLN A 33 -25.351 -31.698 26.839 0.50 16.78 H new ATOM 0 HE21AGLN A 33 -25.826 -26.638 28.124 0.50 26.66 H new ATOM 0 HE21BGLN A 33 -26.825 -31.846 29.184 0.50 26.66 H new ATOM 0 HE22AGLN A 33 -25.175 -26.771 29.457 0.50 26.66 H new ATOM 0 HE22BGLN A 33 -25.956 -31.550 30.358 0.50 26.66 H new ATOM 234 N SER A 34 -26.721 -28.971 23.972 1.00 9.06 N ATOM 235 CA SER A 34 -28.095 -28.875 23.501 1.00 8.97 C ATOM 236 C SER A 34 -28.195 -28.792 21.984 1.00 8.76 C ATOM 237 O SER A 34 -29.299 -28.568 21.466 1.00 9.35 O ATOM 238 CB SER A 34 -28.863 -27.703 24.146 1.00 10.17 C ATOM 239 OG SER A 34 -29.017 -27.925 25.566 1.00 14.17 O ATOM 0 H SER A 34 -26.297 -28.223 23.973 1.00 9.06 H new ATOM 0 HA SER A 34 -28.516 -29.702 23.783 1.00 8.97 H new ATOM 0 HB2 SER A 34 -28.387 -26.872 23.992 1.00 10.17 H new ATOM 0 HB3 SER A 34 -29.735 -27.611 23.730 1.00 10.17 H new ATOM 0 HG SER A 34 -29.435 -27.281 25.907 1.00 14.17 H new ATOM 240 N LEU A 35 -27.098 -28.997 21.264 1.00 8.88 N ATOM 241 CA LEU A 35 -27.144 -29.049 19.794 1.00 10.37 C ATOM 242 C LEU A 35 -27.777 -30.340 19.298 1.00 10.62 C ATOM 243 O LEU A 35 -27.898 -31.311 20.058 1.00 10.64 O ATOM 244 CB LEU A 35 -25.689 -28.894 19.286 1.00 10.39 C ATOM 245 CG LEU A 35 -24.984 -27.572 19.611 1.00 10.64 C ATOM 246 CD1 LEU A 35 -23.633 -27.574 18.994 1.00 12.06 C ATOM 247 CD2 LEU A 35 -25.773 -26.322 19.102 1.00 15.35 C ATOM 0 H LEU A 35 -26.315 -29.109 21.601 1.00 8.88 H new ATOM 0 HA LEU A 35 -27.700 -28.333 19.448 1.00 10.37 H new ATOM 0 HB2 LEU A 35 -25.160 -29.618 19.656 1.00 10.39 H new ATOM 0 HB3 LEU A 35 -25.691 -29.007 18.323 1.00 10.39 H new ATOM 0 HG LEU A 35 -24.928 -27.507 20.577 1.00 10.64 H new ATOM 0 HD11 LEU A 35 -23.183 -26.739 19.197 1.00 12.06 H new ATOM 0 HD12 LEU A 35 -23.116 -28.314 19.349 1.00 12.06 H new ATOM 0 HD13 LEU A 35 -23.716 -27.670 18.032 1.00 12.06 H new ATOM 0 HD21 LEU A 35 -25.286 -25.516 19.332 1.00 15.35 H new ATOM 0 HD22 LEU A 35 -25.875 -26.374 18.139 1.00 15.35 H new ATOM 0 HD23 LEU A 35 -26.649 -26.300 19.519 1.00 15.35 H new ATOM 248 N PRO A 36 -28.127 -30.411 17.997 1.00 11.40 N ATOM 249 CA PRO A 36 -28.660 -31.669 17.467 1.00 11.88 C ATOM 250 C PRO A 36 -27.482 -32.617 17.124 1.00 13.34 C ATOM 251 O PRO A 36 -27.141 -32.796 15.931 1.00 14.10 O ATOM 252 CB PRO A 36 -29.425 -31.198 16.214 1.00 13.88 C ATOM 253 CG PRO A 36 -28.672 -30.028 15.770 1.00 13.10 C ATOM 254 CD PRO A 36 -28.222 -29.292 17.039 1.00 12.61 C ATOM 0 HA PRO A 36 -29.227 -32.169 18.075 1.00 11.88 H new ATOM 0 HB2 PRO A 36 -29.449 -31.887 15.531 1.00 13.88 H new ATOM 0 HB3 PRO A 36 -30.345 -30.972 16.422 1.00 13.88 H new ATOM 0 HG2 PRO A 36 -27.907 -30.292 15.235 1.00 13.10 H new ATOM 0 HG3 PRO A 36 -29.222 -29.454 15.215 1.00 13.10 H new ATOM 0 HD2 PRO A 36 -27.373 -28.839 16.919 1.00 12.61 H new ATOM 0 HD3 PRO A 36 -28.864 -28.621 17.321 1.00 12.61 H new ATOM 255 N LEU A 37 -26.861 -33.100 18.192 1.00 12.33 N ATOM 256 CA LEU A 37 -25.668 -33.957 18.115 1.00 13.62 C ATOM 257 C LEU A 37 -25.970 -35.332 17.777 1.00 15.82 C ATOM 258 O LEU A 37 -26.992 -35.900 18.167 1.00 18.78 O ATOM 259 CB LEU A 37 -25.018 -34.153 19.498 1.00 15.47 C ATOM 260 CG LEU A 37 -24.581 -32.914 20.248 1.00 16.83 C ATOM 261 CD1 LEU A 37 -24.123 -33.202 21.686 1.00 22.13 C ATOM 262 CD2 LEU A 37 -23.511 -32.050 19.495 1.00 18.73 C ATOM 0 H LEU A 37 -27.119 -32.941 18.997 1.00 12.33 H new ATOM 0 HA LEU A 37 -25.119 -33.503 17.457 1.00 13.62 H new ATOM 0 HB2 LEU A 37 -25.646 -34.636 20.058 1.00 15.47 H new ATOM 0 HB3 LEU A 37 -24.242 -34.724 19.385 1.00 15.47 H new ATOM 0 HG LEU A 37 -25.390 -32.381 20.295 1.00 16.83 H new ATOM 0 HD11 LEU A 37 -23.856 -32.373 22.113 1.00 22.13 H new ATOM 0 HD12 LEU A 37 -24.853 -33.602 22.184 1.00 22.13 H new ATOM 0 HD13 LEU A 37 -23.370 -33.813 21.670 1.00 22.13 H new ATOM 0 HD21 LEU A 37 -23.281 -31.277 20.034 1.00 18.73 H new ATOM 0 HD22 LEU A 37 -22.716 -32.583 19.339 1.00 18.73 H new ATOM 0 HD23 LEU A 37 -23.873 -31.755 18.645 1.00 18.73 H new ATOM 263 N LYS A 38 -24.982 -35.964 17.157 1.00 16.06 N ATOM 264 CA ALYS A 38 -24.916 -37.425 17.035 0.56 18.00 C ATOM 265 CA BLYS A 38 -24.909 -37.423 17.176 0.44 17.82 C ATOM 266 C LYS A 38 -23.439 -37.811 17.248 1.00 17.62 C ATOM 267 O LYS A 38 -22.553 -37.000 16.982 1.00 13.56 O ATOM 268 CB ALYS A 38 -25.406 -37.879 15.656 0.56 19.02 C ATOM 269 CB BLYS A 38 -25.632 -38.090 15.996 0.44 18.86 C ATOM 270 CG ALYS A 38 -26.879 -37.565 15.409 0.56 20.45 C ATOM 271 CG BLYS A 38 -25.247 -37.604 14.608 0.44 19.38 C ATOM 272 CD ALYS A 38 -27.640 -38.703 14.815 0.56 23.43 C ATOM 273 CD BLYS A 38 -25.783 -38.565 13.530 0.44 22.82 C ATOM 274 CE ALYS A 38 -29.113 -38.693 15.218 0.56 23.28 C ATOM 275 CE BLYS A 38 -25.545 -38.006 12.129 0.44 25.42 C ATOM 276 NZ ALYS A 38 -29.617 -37.364 15.580 0.56 24.18 N ATOM 277 NZ BLYS A 38 -26.138 -38.871 11.064 0.44 27.32 N ATOM 0 H ALYS A 38 -24.320 -35.556 16.789 0.56 16.06 H new ATOM 0 H BLYS A 38 -24.350 -35.574 16.724 0.44 16.06 H new ATOM 0 HA ALYS A 38 -25.488 -37.857 17.689 0.56 17.82 H new ATOM 0 HA BLYS A 38 -25.382 -37.752 17.956 0.44 17.82 H new ATOM 0 HB2ALYS A 38 -24.870 -37.449 14.971 0.56 18.86 H new ATOM 0 HB2BLYS A 38 -25.469 -39.045 16.040 0.44 18.86 H new ATOM 0 HB3ALYS A 38 -25.266 -38.835 15.568 0.56 18.86 H new ATOM 0 HB3BLYS A 38 -26.586 -37.959 16.110 0.44 18.86 H new ATOM 0 HG2ALYS A 38 -27.293 -37.312 16.249 0.56 19.38 H new ATOM 0 HG2BLYS A 38 -25.603 -36.714 14.461 0.44 19.38 H new ATOM 0 HG3ALYS A 38 -26.944 -36.799 14.818 0.56 19.38 H new ATOM 0 HG3BLYS A 38 -24.282 -37.538 14.539 0.44 19.38 H new ATOM 0 HD2ALYS A 38 -27.572 -38.665 13.848 0.56 22.82 H new ATOM 0 HD2BLYS A 38 -25.347 -39.427 13.616 0.44 22.82 H new ATOM 0 HD3ALYS A 38 -27.237 -39.540 15.095 0.56 22.82 H new ATOM 0 HD3BLYS A 38 -26.732 -38.712 13.666 0.44 22.82 H new ATOM 0 HE2ALYS A 38 -29.643 -39.042 14.484 0.56 25.42 H new ATOM 0 HE2BLYS A 38 -25.926 -37.116 12.069 0.44 25.42 H new ATOM 0 HE3ALYS A 38 -29.238 -39.293 15.970 0.56 25.42 H new ATOM 0 HE3BLYS A 38 -24.591 -37.917 11.976 0.44 25.42 H new ATOM 0 HZ1ALYS A 38 -30.507 -37.369 15.564 0.56 27.32 H new ATOM 0 HZ1BLYS A 38 -25.978 -38.511 10.266 0.44 27.32 H new ATOM 0 HZ2ALYS A 38 -29.337 -37.153 16.398 0.56 27.32 H new ATOM 0 HZ2BLYS A 38 -25.773 -39.682 11.102 0.44 27.32 H new ATOM 0 HZ3ALYS A 38 -29.314 -36.763 14.998 0.56 27.32 H new ATOM 0 HZ3BLYS A 38 -27.017 -38.936 11.189 0.44 27.32 H new ATOM 278 N PRO A 39 -23.137 -39.079 17.662 1.00 19.35 N ATOM 279 CA PRO A 39 -21.716 -39.419 17.807 1.00 18.85 C ATOM 280 C PRO A 39 -21.090 -39.444 16.423 1.00 17.55 C ATOM 281 O PRO A 39 -21.759 -39.622 15.374 1.00 18.56 O ATOM 282 CB PRO A 39 -21.738 -40.824 18.451 1.00 20.72 C ATOM 283 CG PRO A 39 -23.150 -41.137 18.768 1.00 22.85 C ATOM 284 CD PRO A 39 -24.014 -40.239 17.923 1.00 21.38 C ATOM 0 HA PRO A 39 -21.202 -38.794 18.342 1.00 18.85 H new ATOM 0 HB2 PRO A 39 -21.369 -41.485 17.844 1.00 20.72 H new ATOM 0 HB3 PRO A 39 -21.195 -40.841 19.254 1.00 20.72 H new ATOM 0 HG2 PRO A 39 -23.343 -42.069 18.582 1.00 22.85 H new ATOM 0 HG3 PRO A 39 -23.328 -40.993 19.711 1.00 22.85 H new ATOM 0 HD2 PRO A 39 -24.287 -40.674 17.100 1.00 21.38 H new ATOM 0 HD3 PRO A 39 -24.824 -39.979 18.389 1.00 21.38 H new ATOM 285 N TYR A 40 -19.798 -39.185 16.387 1.00 14.79 N ATOM 286 CA TYR A 40 -19.041 -39.327 15.158 1.00 15.00 C ATOM 287 C TYR A 40 -18.004 -40.395 15.459 1.00 14.72 C ATOM 288 O TYR A 40 -17.195 -40.256 16.379 1.00 14.22 O ATOM 289 CB TYR A 40 -18.364 -38.013 14.813 1.00 14.97 C ATOM 290 CG TYR A 40 -17.446 -38.023 13.597 1.00 17.10 C ATOM 291 CD1 TYR A 40 -17.775 -37.342 12.436 1.00 20.02 C ATOM 292 CD2 TYR A 40 -16.192 -38.656 13.633 1.00 15.86 C ATOM 293 CE1 TYR A 40 -16.916 -37.294 11.316 1.00 24.01 C ATOM 294 CE2 TYR A 40 -15.336 -38.625 12.522 1.00 20.79 C ATOM 295 CZ TYR A 40 -15.698 -37.943 11.375 1.00 22.68 C ATOM 296 OH TYR A 40 -14.852 -37.919 10.253 1.00 24.73 O ATOM 0 H TYR A 40 -19.337 -38.925 17.065 1.00 14.79 H new ATOM 0 HA TYR A 40 -19.601 -39.567 14.403 1.00 15.00 H new ATOM 0 HB2 TYR A 40 -19.052 -37.345 14.669 1.00 14.97 H new ATOM 0 HB3 TYR A 40 -17.847 -37.726 15.582 1.00 14.97 H new ATOM 0 HD1 TYR A 40 -18.592 -36.900 12.393 1.00 20.02 H new ATOM 0 HD2 TYR A 40 -15.926 -39.102 14.404 1.00 15.86 H new ATOM 0 HE1 TYR A 40 -17.167 -36.832 10.549 1.00 24.01 H new ATOM 0 HE2 TYR A 40 -14.518 -39.067 12.557 1.00 20.79 H new ATOM 0 HH TYR A 40 -14.315 -38.564 10.293 1.00 24.73 H new ATOM 297 N GLN A 41 -18.062 -41.503 14.728 1.00 15.31 N ATOM 298 CA AGLN A 41 -17.136 -42.594 14.968 0.50 15.20 C ATOM 299 CA BGLN A 41 -17.142 -42.607 14.930 0.50 15.46 C ATOM 300 C GLN A 41 -15.777 -42.291 14.358 1.00 15.69 C ATOM 301 O GLN A 41 -15.628 -42.168 13.135 1.00 16.53 O ATOM 302 CB AGLN A 41 -17.757 -43.917 14.480 0.50 16.84 C ATOM 303 CB BGLN A 41 -17.723 -43.842 14.240 0.50 16.81 C ATOM 304 CG AGLN A 41 -18.824 -44.432 15.437 0.50 17.14 C ATOM 305 CG BGLN A 41 -16.980 -45.129 14.579 0.50 19.01 C ATOM 306 CD AGLN A 41 -19.221 -45.893 15.210 0.50 20.33 C ATOM 307 CD BGLN A 41 -17.705 -46.339 14.033 0.50 22.19 C ATOM 308 OE1AGLN A 41 -18.365 -46.775 15.133 0.50 23.37 O ATOM 309 OE1BGLN A 41 -18.889 -46.260 13.689 0.50 25.92 O ATOM 310 NE2AGLN A 41 -20.525 -46.149 15.116 0.50 24.75 N ATOM 311 NE2BGLN A 41 -17.014 -47.454 13.955 0.50 23.81 N ATOM 0 H AGLN A 41 -18.627 -41.639 14.094 0.50 15.31 H new ATOM 0 H BGLN A 41 -18.637 -41.633 14.102 0.50 15.31 H new ATOM 0 HA AGLN A 41 -16.977 -42.694 15.920 0.50 15.46 H new ATOM 0 HA BGLN A 41 -17.032 -42.766 15.881 0.50 15.46 H new ATOM 0 HB2AGLN A 41 -18.147 -43.786 13.602 0.50 16.81 H new ATOM 0 HB2BGLN A 41 -18.654 -43.938 14.493 0.50 16.81 H new ATOM 0 HB3AGLN A 41 -17.060 -44.585 14.384 0.50 16.81 H new ATOM 0 HB3BGLN A 41 -17.702 -43.708 13.280 0.50 16.81 H new ATOM 0 HG2AGLN A 41 -18.503 -44.333 16.347 0.50 19.01 H new ATOM 0 HG2BGLN A 41 -16.083 -45.094 14.212 0.50 19.01 H new ATOM 0 HG3AGLN A 41 -19.614 -43.876 15.353 0.50 19.01 H new ATOM 0 HG3BGLN A 41 -16.890 -45.210 15.541 0.50 19.01 H new ATOM 0 HE21AGLN A 41 -21.095 -45.507 15.175 0.50 23.81 H new ATOM 0 HE21BGLN A 41 -16.191 -47.468 14.205 0.50 23.81 H new ATOM 0 HE22AGLN A 41 -20.797 -46.956 14.997 0.50 23.81 H new ATOM 0 HE22BGLN A 41 -17.385 -48.169 13.654 0.50 23.81 H new ATOM 312 N LEU A 42 -14.763 -42.154 15.238 1.00 14.90 N ATOM 313 CA LEU A 42 -13.391 -41.937 14.788 1.00 14.43 C ATOM 314 C LEU A 42 -12.866 -43.259 14.177 1.00 14.01 C ATOM 315 O LEU A 42 -13.504 -44.306 14.331 1.00 14.32 O ATOM 316 CB LEU A 42 -12.503 -41.539 15.963 1.00 14.02 C ATOM 317 CG LEU A 42 -12.831 -40.134 16.500 1.00 13.08 C ATOM 318 CD1 LEU A 42 -12.144 -39.937 17.804 1.00 12.76 C ATOM 319 CD2 LEU A 42 -12.400 -39.036 15.491 1.00 16.30 C ATOM 0 H LEU A 42 -14.858 -42.185 16.092 1.00 14.90 H new ATOM 0 HA LEU A 42 -13.373 -41.224 14.131 1.00 14.43 H new ATOM 0 HB2 LEU A 42 -12.607 -42.187 16.677 1.00 14.02 H new ATOM 0 HB3 LEU A 42 -11.574 -41.568 15.687 1.00 14.02 H new ATOM 0 HG LEU A 42 -13.790 -40.061 16.623 1.00 13.08 H new ATOM 0 HD11 LEU A 42 -12.347 -39.053 18.147 1.00 12.76 H new ATOM 0 HD12 LEU A 42 -12.450 -40.607 18.436 1.00 12.76 H new ATOM 0 HD13 LEU A 42 -11.186 -40.023 17.681 1.00 12.76 H new ATOM 0 HD21 LEU A 42 -12.617 -38.162 15.851 1.00 16.30 H new ATOM 0 HD22 LEU A 42 -11.444 -39.094 15.338 1.00 16.30 H new ATOM 0 HD23 LEU A 42 -12.870 -39.165 14.652 1.00 16.30 H new ATOM 320 N PRO A 43 -11.713 -43.185 13.455 1.00 14.70 N ATOM 321 CA PRO A 43 -11.123 -44.480 12.984 1.00 14.68 C ATOM 322 C PRO A 43 -11.001 -45.498 14.143 1.00 13.32 C ATOM 323 O PRO A 43 -10.657 -45.128 15.278 1.00 12.07 O ATOM 324 CB PRO A 43 -9.722 -44.056 12.503 1.00 15.11 C ATOM 325 CG PRO A 43 -9.937 -42.584 12.020 1.00 16.16 C ATOM 326 CD PRO A 43 -10.918 -42.008 13.041 1.00 15.48 C ATOM 0 HA PRO A 43 -11.661 -44.915 12.304 1.00 14.68 H new ATOM 0 HB2 PRO A 43 -9.068 -44.106 13.218 1.00 15.11 H new ATOM 0 HB3 PRO A 43 -9.403 -44.625 11.785 1.00 15.11 H new ATOM 0 HG2 PRO A 43 -9.104 -42.088 12.007 1.00 16.16 H new ATOM 0 HG3 PRO A 43 -10.299 -42.553 11.121 1.00 16.16 H new ATOM 0 HD2 PRO A 43 -10.456 -41.606 13.793 1.00 15.48 H new ATOM 0 HD3 PRO A 43 -11.477 -41.318 12.650 1.00 15.48 H new ATOM 327 N GLU A 44 -11.361 -46.730 13.836 1.00 13.77 N ATOM 328 CA GLU A 44 -11.346 -47.845 14.835 1.00 14.16 C ATOM 329 C GLU A 44 -12.239 -47.560 16.037 1.00 13.46 C ATOM 330 O GLU A 44 -12.046 -48.080 17.143 1.00 14.13 O ATOM 331 CB GLU A 44 -9.901 -48.212 15.266 1.00 14.42 C ATOM 332 CG GLU A 44 -9.101 -48.683 14.046 1.00 15.24 C ATOM 333 CD GLU A 44 -7.642 -49.043 14.312 1.00 12.69 C ATOM 334 OE1 GLU A 44 -7.051 -49.591 13.346 1.00 14.46 O ATOM 335 OE2 GLU A 44 -7.114 -48.780 15.374 1.00 14.60 O ATOM 0 H GLU A 44 -11.624 -46.966 13.052 1.00 13.77 H new ATOM 0 HA GLU A 44 -11.720 -48.621 14.390 1.00 14.16 H new ATOM 0 HB2 GLU A 44 -9.469 -47.443 15.669 1.00 14.42 H new ATOM 0 HB3 GLU A 44 -9.922 -48.910 15.939 1.00 14.42 H new ATOM 0 HG2 GLU A 44 -9.545 -49.458 13.668 1.00 15.24 H new ATOM 0 HG3 GLU A 44 -9.127 -47.985 13.373 1.00 15.24 H new ATOM 336 N ASP A 45 -13.233 -46.688 15.826 1.00 13.29 N ATOM 337 CA ASP A 45 -14.118 -46.198 16.892 1.00 14.11 C ATOM 338 C ASP A 45 -13.327 -45.816 18.147 1.00 12.96 C ATOM 339 O ASP A 45 -13.683 -46.140 19.273 1.00 14.07 O ATOM 340 CB ASP A 45 -15.221 -47.222 17.216 1.00 15.28 C ATOM 341 CG ASP A 45 -16.376 -46.599 17.992 1.00 18.84 C ATOM 342 OD1 ASP A 45 -16.521 -45.354 17.984 1.00 19.53 O ATOM 343 OD2 ASP A 45 -17.151 -47.376 18.604 1.00 25.03 O ATOM 0 H ASP A 45 -13.414 -46.361 15.051 1.00 13.29 H new ATOM 0 HA ASP A 45 -14.550 -45.393 16.565 1.00 14.11 H new ATOM 0 HB2 ASP A 45 -15.557 -47.605 16.391 1.00 15.28 H new ATOM 0 HB3 ASP A 45 -14.842 -47.950 17.733 1.00 15.28 H new ATOM 344 N LEU A 46 -12.251 -45.053 17.955 1.00 13.30 N ATOM 345 CA LEU A 46 -11.390 -44.731 19.063 1.00 12.48 C ATOM 346 C LEU A 46 -12.124 -43.915 20.147 1.00 12.35 C ATOM 347 O LEU A 46 -12.876 -42.955 19.821 1.00 13.03 O ATOM 348 CB LEU A 46 -10.233 -43.876 18.513 1.00 13.67 C ATOM 349 CG LEU A 46 -9.128 -43.492 19.491 1.00 13.40 C ATOM 350 CD1 LEU A 46 -8.420 -44.767 19.965 1.00 17.26 C ATOM 351 CD2 LEU A 46 -8.128 -42.540 18.843 1.00 16.81 C ATOM 0 H LEU A 46 -12.013 -44.721 17.198 1.00 13.30 H new ATOM 0 HA LEU A 46 -11.081 -45.556 19.469 1.00 12.48 H new ATOM 0 HB2 LEU A 46 -9.828 -44.357 17.775 1.00 13.67 H new ATOM 0 HB3 LEU A 46 -10.609 -43.060 18.148 1.00 13.67 H new ATOM 0 HG LEU A 46 -9.521 -43.032 20.249 1.00 13.40 H new ATOM 0 HD11 LEU A 46 -7.715 -44.533 20.588 1.00 17.26 H new ATOM 0 HD12 LEU A 46 -9.060 -45.348 20.405 1.00 17.26 H new ATOM 0 HD13 LEU A 46 -8.037 -45.227 19.202 1.00 17.26 H new ATOM 0 HD21 LEU A 46 -7.437 -42.311 19.484 1.00 16.81 H new ATOM 0 HD22 LEU A 46 -7.725 -42.969 18.072 1.00 16.81 H new ATOM 0 HD23 LEU A 46 -8.586 -41.733 18.560 1.00 16.81 H new ATOM 352 N GLY A 47 -11.811 -44.186 21.411 1.00 12.43 N ATOM 353 CA GLY A 47 -12.245 -43.444 22.582 1.00 12.35 C ATOM 354 C GLY A 47 -11.033 -43.145 23.427 1.00 11.71 C ATOM 355 O GLY A 47 -10.277 -42.209 23.107 1.00 12.72 O ATOM 0 H GLY A 47 -11.307 -44.852 21.617 1.00 12.43 H new ATOM 0 HA2 GLY A 47 -12.684 -42.621 22.317 1.00 12.35 H new ATOM 0 HA3 GLY A 47 -12.892 -43.960 23.089 1.00 12.35 H new ATOM 356 N TYR A 48 -10.805 -43.893 24.481 1.00 10.50 N ATOM 357 CA TYR A 48 -9.623 -43.840 25.306 1.00 11.23 C ATOM 358 C TYR A 48 -8.436 -44.560 24.661 1.00 10.54 C ATOM 359 O TYR A 48 -8.593 -45.676 24.125 1.00 11.51 O ATOM 360 CB TYR A 48 -9.913 -44.520 26.658 1.00 12.62 C ATOM 361 CG TYR A 48 -8.780 -44.443 27.654 1.00 14.10 C ATOM 362 CD1 TYR A 48 -7.745 -45.407 27.646 1.00 14.39 C ATOM 363 CD2 TYR A 48 -8.733 -43.408 28.615 1.00 16.84 C ATOM 364 CE1 TYR A 48 -6.691 -45.365 28.571 1.00 16.23 C ATOM 365 CE2 TYR A 48 -7.678 -43.346 29.538 1.00 18.58 C ATOM 366 CZ TYR A 48 -6.676 -44.336 29.507 1.00 18.64 C ATOM 367 OH TYR A 48 -5.626 -44.302 30.402 1.00 21.03 O ATOM 0 H TYR A 48 -11.370 -44.482 24.752 1.00 10.50 H new ATOM 0 HA TYR A 48 -9.394 -42.904 25.420 1.00 11.23 H new ATOM 0 HB2 TYR A 48 -10.701 -44.112 27.050 1.00 12.62 H new ATOM 0 HB3 TYR A 48 -10.126 -45.453 26.499 1.00 12.62 H new ATOM 0 HD1 TYR A 48 -7.764 -46.086 27.011 1.00 14.39 H new ATOM 0 HD2 TYR A 48 -9.404 -42.765 28.636 1.00 16.84 H new ATOM 0 HE1 TYR A 48 -6.020 -46.008 28.559 1.00 16.23 H new ATOM 0 HE2 TYR A 48 -7.641 -42.659 30.164 1.00 18.58 H new ATOM 0 HH TYR A 48 -5.116 -44.955 30.261 1.00 21.03 H new ATOM 368 N VAL A 49 -7.263 -43.982 24.737 1.00 9.69 N ATOM 369 CA VAL A 49 -6.068 -44.701 24.319 1.00 10.33 C ATOM 370 C VAL A 49 -4.902 -44.300 25.210 1.00 10.40 C ATOM 371 O VAL A 49 -4.789 -43.120 25.626 1.00 11.24 O ATOM 372 CB VAL A 49 -5.811 -44.432 22.828 1.00 10.42 C ATOM 373 CG1 VAL A 49 -5.514 -42.963 22.538 1.00 12.38 C ATOM 374 CG2 VAL A 49 -4.660 -45.366 22.282 1.00 11.52 C ATOM 0 H VAL A 49 -7.128 -43.182 25.023 1.00 9.69 H new ATOM 0 HA VAL A 49 -6.184 -45.659 24.419 1.00 10.33 H new ATOM 0 HB VAL A 49 -6.631 -44.645 22.356 1.00 10.42 H new ATOM 0 HG11 VAL A 49 -5.360 -42.845 21.588 1.00 12.38 H new ATOM 0 HG12 VAL A 49 -6.269 -42.420 22.812 1.00 12.38 H new ATOM 0 HG13 VAL A 49 -4.724 -42.689 23.030 1.00 12.38 H new ATOM 0 HG21 VAL A 49 -4.513 -45.182 21.341 1.00 11.52 H new ATOM 0 HG22 VAL A 49 -3.843 -45.196 22.776 1.00 11.52 H new ATOM 0 HG23 VAL A 49 -4.917 -46.295 22.393 1.00 11.52 H new ATOM 375 N GLU A 50 -3.987 -45.234 25.425 1.00 10.21 N ATOM 376 CA AGLU A 50 -2.775 -45.053 26.229 0.50 9.73 C ATOM 377 CA BGLU A 50 -2.746 -44.927 26.117 0.50 10.63 C ATOM 378 C GLU A 50 -1.611 -45.715 25.528 1.00 9.64 C ATOM 379 O GLU A 50 -1.804 -46.796 24.925 1.00 9.65 O ATOM 380 CB AGLU A 50 -2.985 -45.700 27.604 0.50 8.90 C ATOM 381 CB BGLU A 50 -2.873 -45.148 27.641 0.50 12.12 C ATOM 382 CG AGLU A 50 -1.848 -45.453 28.607 0.50 12.43 C ATOM 383 CG BGLU A 50 -2.498 -46.477 28.136 0.50 14.15 C ATOM 384 CD AGLU A 50 -0.674 -46.452 28.543 0.50 12.82 C ATOM 385 CD BGLU A 50 -2.817 -46.764 29.605 0.50 13.66 C ATOM 386 OE1AGLU A 50 -0.806 -47.522 27.886 0.50 14.69 O ATOM 387 OE1BGLU A 50 -3.734 -46.163 30.233 0.50 13.75 O ATOM 388 OE2AGLU A 50 0.403 -46.182 29.175 0.50 12.85 O ATOM 389 OE2BGLU A 50 -2.142 -47.702 30.079 0.50 14.29 O ATOM 0 H AGLU A 50 -4.053 -46.025 25.095 0.50 10.21 H new ATOM 0 H BGLU A 50 -4.066 -46.054 25.177 0.50 10.21 H new ATOM 0 HA AGLU A 50 -2.589 -44.108 26.341 0.50 10.63 H new ATOM 0 HA BGLU A 50 -2.553 -43.985 25.990 0.50 10.63 H new ATOM 0 HB2AGLU A 50 -3.813 -45.365 27.983 0.50 12.12 H new ATOM 0 HB2BGLU A 50 -2.323 -44.488 28.092 0.50 12.12 H new ATOM 0 HB3AGLU A 50 -3.094 -46.657 27.485 0.50 12.12 H new ATOM 0 HB3BGLU A 50 -3.792 -44.975 27.899 0.50 12.12 H new ATOM 0 HG2AGLU A 50 -1.499 -44.559 28.463 0.50 14.15 H new ATOM 0 HG2BGLU A 50 -2.945 -47.143 27.591 0.50 14.15 H new ATOM 0 HG3AGLU A 50 -2.219 -45.472 29.503 0.50 14.15 H new ATOM 0 HG3BGLU A 50 -1.545 -46.595 28.002 0.50 14.15 H new ATOM 390 N GLY A 51 -0.445 -45.145 25.654 1.00 9.70 N ATOM 391 CA GLY A 51 0.741 -45.822 25.152 1.00 9.44 C ATOM 392 C GLY A 51 1.973 -45.355 25.850 1.00 9.74 C ATOM 393 O GLY A 51 2.052 -44.233 26.379 1.00 9.77 O ATOM 0 H GLY A 51 -0.306 -44.379 26.019 1.00 9.70 H new ATOM 0 HA2 GLY A 51 0.643 -46.780 25.271 1.00 9.44 H new ATOM 0 HA3 GLY A 51 0.827 -45.662 24.199 1.00 9.44 H new ATOM 394 N ARG A 52 2.986 -46.216 25.846 1.00 9.31 N ATOM 395 CA ARG A 52 4.338 -45.863 26.318 1.00 10.98 C ATOM 396 C ARG A 52 5.362 -46.630 25.515 1.00 9.65 C ATOM 397 O ARG A 52 5.104 -47.778 25.108 1.00 10.28 O ATOM 398 CB ARG A 52 4.484 -46.254 27.786 1.00 11.78 C ATOM 399 CG ARG A 52 5.752 -45.765 28.489 1.00 13.63 C ATOM 400 CD ARG A 52 6.074 -46.581 29.772 1.00 15.81 C ATOM 401 NE ARG A 52 5.090 -46.465 30.859 1.00 17.02 N ATOM 402 CZ ARG A 52 5.108 -45.536 31.815 1.00 16.78 C ATOM 403 NH1 ARG A 52 4.190 -45.557 32.766 1.00 21.37 N ATOM 404 NH2 ARG A 52 6.002 -44.549 31.794 1.00 15.74 N ATOM 0 H ARG A 52 2.915 -47.027 25.569 1.00 9.31 H new ATOM 0 HA ARG A 52 4.474 -44.908 26.213 1.00 10.98 H new ATOM 0 HB2 ARG A 52 3.716 -45.914 28.271 1.00 11.78 H new ATOM 0 HB3 ARG A 52 4.454 -47.221 27.849 1.00 11.78 H new ATOM 0 HG2 ARG A 52 6.501 -45.823 27.876 1.00 13.63 H new ATOM 0 HG3 ARG A 52 5.649 -44.829 28.722 1.00 13.63 H new ATOM 0 HD2 ARG A 52 6.156 -47.517 29.529 1.00 15.81 H new ATOM 0 HD3 ARG A 52 6.939 -46.298 30.108 1.00 15.81 H new ATOM 0 HE ARG A 52 4.453 -47.042 30.879 1.00 17.02 H new ATOM 0 HH11 ARG A 52 3.585 -46.168 32.766 1.00 21.37 H new ATOM 0 HH12 ARG A 52 4.198 -44.960 33.385 1.00 21.37 H new ATOM 0 HH21 ARG A 52 6.579 -44.505 31.157 1.00 15.74 H new ATOM 0 HH22 ARG A 52 6.003 -43.956 32.417 1.00 15.74 H new ATOM 405 N LEU A 53 6.509 -46.027 25.304 1.00 9.84 N ATOM 406 CA LEU A 53 7.684 -46.688 24.729 1.00 10.53 C ATOM 407 C LEU A 53 8.761 -46.627 25.795 1.00 11.66 C ATOM 408 O LEU A 53 8.648 -47.307 26.812 1.00 12.63 O ATOM 409 CB LEU A 53 8.065 -46.009 23.413 1.00 10.80 C ATOM 410 CG LEU A 53 7.148 -46.333 22.227 1.00 10.92 C ATOM 411 CD1 LEU A 53 7.423 -45.388 21.024 1.00 12.28 C ATOM 412 CD2 LEU A 53 7.292 -47.777 21.772 1.00 12.25 C ATOM 0 H LEU A 53 6.642 -45.198 25.493 1.00 9.84 H new ATOM 0 HA LEU A 53 7.527 -47.617 24.496 1.00 10.53 H new ATOM 0 HB2 LEU A 53 8.068 -45.049 23.549 1.00 10.80 H new ATOM 0 HB3 LEU A 53 8.972 -46.266 23.183 1.00 10.80 H new ATOM 0 HG LEU A 53 6.240 -46.197 22.540 1.00 10.92 H new ATOM 0 HD11 LEU A 53 6.830 -45.616 20.291 1.00 12.28 H new ATOM 0 HD12 LEU A 53 7.267 -44.469 21.292 1.00 12.28 H new ATOM 0 HD13 LEU A 53 8.344 -45.489 20.737 1.00 12.28 H new ATOM 0 HD21 LEU A 53 6.698 -47.941 21.023 1.00 12.25 H new ATOM 0 HD22 LEU A 53 8.208 -47.941 21.499 1.00 12.25 H new ATOM 0 HD23 LEU A 53 7.062 -48.371 22.503 1.00 12.25 H new ATOM 413 N GLU A 54 9.803 -45.799 25.629 1.00 12.52 N ATOM 414 CA GLU A 54 10.978 -45.808 26.523 1.00 14.86 C ATOM 415 C GLU A 54 10.894 -44.748 27.617 1.00 15.36 C ATOM 416 O GLU A 54 11.734 -44.720 28.529 1.00 18.58 O ATOM 417 CB GLU A 54 12.266 -45.632 25.695 1.00 15.25 C ATOM 418 CG GLU A 54 12.499 -46.800 24.678 1.00 16.18 C ATOM 419 CD GLU A 54 12.644 -48.188 25.319 1.00 17.56 C ATOM 420 OE1 GLU A 54 12.461 -49.209 24.608 1.00 15.19 O ATOM 421 OE2 GLU A 54 12.959 -48.292 26.543 1.00 20.04 O ATOM 0 H GLU A 54 9.850 -45.217 24.997 1.00 12.52 H new ATOM 0 HA GLU A 54 10.994 -46.668 26.972 1.00 14.86 H new ATOM 0 HB2 GLU A 54 12.222 -44.792 25.212 1.00 15.25 H new ATOM 0 HB3 GLU A 54 13.026 -45.575 26.295 1.00 15.25 H new ATOM 0 HG2 GLU A 54 11.757 -46.821 24.053 1.00 16.18 H new ATOM 0 HG3 GLU A 54 13.299 -46.610 24.163 1.00 16.18 H new ATOM 422 N GLY A 55 9.866 -43.902 27.562 1.00 14.32 N ATOM 423 CA GLY A 55 9.717 -42.788 28.525 1.00 15.47 C ATOM 424 C GLY A 55 8.403 -42.764 29.270 1.00 13.77 C ATOM 425 O GLY A 55 8.002 -43.750 29.877 1.00 14.37 O ATOM 0 H GLY A 55 9.238 -43.949 26.976 1.00 14.32 H new ATOM 0 HA2 GLY A 55 10.439 -42.837 29.171 1.00 15.47 H new ATOM 0 HA3 GLY A 55 9.819 -41.949 28.048 1.00 15.47 H new ATOM 426 N GLU A 56 7.744 -41.595 29.213 1.00 13.02 N ATOM 427 CA GLU A 56 6.482 -41.380 29.927 1.00 12.68 C ATOM 428 C GLU A 56 5.316 -41.968 29.156 1.00 11.87 C ATOM 429 O GLU A 56 5.419 -42.146 27.953 1.00 11.46 O ATOM 430 CB GLU A 56 6.257 -39.868 30.136 1.00 12.71 C ATOM 431 CG GLU A 56 7.400 -39.188 30.892 1.00 16.70 C ATOM 432 CD GLU A 56 7.410 -39.412 32.393 1.00 26.48 C ATOM 433 OE1 GLU A 56 8.459 -39.068 32.988 1.00 32.52 O ATOM 434 OE2 GLU A 56 6.419 -39.865 33.020 1.00 29.73 O ATOM 0 H GLU A 56 8.016 -40.914 28.763 1.00 13.02 H new ATOM 0 HA GLU A 56 6.536 -41.826 30.787 1.00 12.68 H new ATOM 0 HB2 GLU A 56 6.149 -39.440 29.272 1.00 12.71 H new ATOM 0 HB3 GLU A 56 5.429 -39.734 30.624 1.00 12.71 H new ATOM 0 HG2 GLU A 56 8.242 -39.503 30.527 1.00 16.70 H new ATOM 0 HG3 GLU A 56 7.357 -38.234 30.723 1.00 16.70 H new ATOM 435 N LYS A 57 4.240 -42.267 29.857 1.00 12.02 N ATOM 436 CA ALYS A 57 3.000 -42.709 29.229 0.50 12.11 C ATOM 437 CA BLYS A 57 3.034 -42.685 29.156 0.50 12.16 C ATOM 438 C LYS A 57 2.161 -41.521 28.786 1.00 12.59 C ATOM 439 O LYS A 57 2.067 -40.514 29.540 1.00 15.40 O ATOM 440 CB ALYS A 57 2.228 -43.554 30.241 0.50 13.15 C ATOM 441 CB BLYS A 57 2.196 -43.597 30.008 0.50 12.59 C ATOM 442 CG ALYS A 57 0.820 -44.027 29.846 0.50 12.36 C ATOM 443 CG BLYS A 57 1.516 -42.862 31.144 0.50 14.55 C ATOM 444 CD ALYS A 57 0.189 -44.937 30.929 0.50 15.09 C ATOM 445 CD BLYS A 57 0.578 -43.801 31.859 0.50 15.27 C ATOM 446 CE ALYS A 57 1.030 -46.181 31.095 0.50 15.83 C ATOM 447 CE BLYS A 57 0.146 -43.224 33.212 0.50 19.77 C ATOM 448 NZ ALYS A 57 1.174 -46.872 29.790 0.50 21.78 N ATOM 449 NZ BLYS A 57 -0.454 -41.887 33.212 0.50 23.17 N ATOM 0 H ALYS A 57 4.202 -42.221 30.715 0.50 12.02 H new ATOM 0 H BLYS A 57 4.181 -42.238 30.714 0.50 12.02 H new ATOM 0 HA ALYS A 57 3.204 -43.233 28.439 0.50 12.16 H new ATOM 0 HA BLYS A 57 3.344 -43.139 28.357 0.50 12.16 H new ATOM 0 HB2ALYS A 57 2.761 -44.339 30.444 0.50 12.59 H new ATOM 0 HB2BLYS A 57 1.524 -44.025 29.455 0.50 12.59 H new ATOM 0 HB3ALYS A 57 2.152 -43.043 31.062 0.50 12.59 H new ATOM 0 HB3BLYS A 57 2.756 -44.301 30.371 0.50 12.59 H new ATOM 0 HG2ALYS A 57 0.250 -43.256 29.700 0.50 14.55 H new ATOM 0 HG2BLYS A 57 2.179 -42.518 31.763 0.50 14.55 H new ATOM 0 HG3ALYS A 57 0.866 -44.509 29.006 0.50 14.55 H new ATOM 0 HG3BLYS A 57 1.026 -42.099 30.801 0.50 14.55 H new ATOM 0 HD2ALYS A 57 0.130 -44.460 31.772 0.50 15.27 H new ATOM 0 HD2BLYS A 57 -0.204 -43.963 31.309 0.50 15.27 H new ATOM 0 HD3ALYS A 57 -0.716 -45.178 30.676 0.50 15.27 H new ATOM 0 HD3BLYS A 57 1.013 -44.658 31.993 0.50 15.27 H new ATOM 0 HE2ALYS A 57 1.904 -45.946 31.443 0.50 19.77 H new ATOM 0 HE2BLYS A 57 -0.490 -43.838 33.611 0.50 19.77 H new ATOM 0 HE3ALYS A 57 0.618 -46.776 31.741 0.50 19.77 H new ATOM 0 HE3BLYS A 57 0.923 -43.204 33.792 0.50 19.77 H new ATOM 0 HZ1ALYS A 57 1.670 -47.604 29.894 0.50 23.17 H new ATOM 0 HZ1BLYS A 57 -0.177 -41.437 33.928 0.50 23.17 H new ATOM 0 HZ2BLYS A 57 -0.209 -41.451 32.476 0.50 23.17 H new ATOM 0 HZ3BLYS A 57 -1.341 -41.959 33.232 0.50 23.17 H new ATOM 450 N LEU A 58 1.557 -41.639 27.606 1.00 9.77 N ATOM 451 CA LEU A 58 0.581 -40.673 27.124 1.00 9.20 C ATOM 452 C LEU A 58 -0.815 -41.314 27.197 1.00 9.72 C ATOM 453 O LEU A 58 -1.016 -42.456 26.735 1.00 10.54 O ATOM 454 CB LEU A 58 0.895 -40.313 25.687 1.00 9.56 C ATOM 455 CG LEU A 58 -0.167 -39.499 24.966 1.00 9.77 C ATOM 456 CD1 LEU A 58 -0.527 -38.167 25.586 1.00 9.65 C ATOM 457 CD2 LEU A 58 0.277 -39.311 23.510 1.00 12.28 C ATOM 0 H LEU A 58 1.705 -42.287 27.061 1.00 9.77 H new ATOM 0 HA LEU A 58 0.609 -39.870 27.667 1.00 9.20 H new ATOM 0 HB2 LEU A 58 1.728 -39.816 25.670 1.00 9.56 H new ATOM 0 HB3 LEU A 58 1.044 -41.133 25.190 1.00 9.56 H new ATOM 0 HG LEU A 58 -0.988 -40.011 25.037 1.00 9.77 H new ATOM 0 HD11 LEU A 58 -1.209 -37.734 25.049 1.00 9.65 H new ATOM 0 HD12 LEU A 58 -0.864 -38.309 26.484 1.00 9.65 H new ATOM 0 HD13 LEU A 58 0.261 -37.603 25.622 1.00 9.65 H new ATOM 0 HD21 LEU A 58 -0.390 -38.793 23.033 1.00 12.28 H new ATOM 0 HD22 LEU A 58 1.126 -38.843 23.488 1.00 12.28 H new ATOM 0 HD23 LEU A 58 0.375 -40.178 23.087 1.00 12.28 H new ATOM 458 N VAL A 59 -1.791 -40.610 27.789 1.00 9.79 N ATOM 459 CA VAL A 59 -3.185 -41.064 27.846 1.00 10.58 C ATOM 460 C VAL A 59 -4.034 -39.993 27.169 1.00 9.71 C ATOM 461 O VAL A 59 -3.843 -38.780 27.390 1.00 9.72 O ATOM 462 CB VAL A 59 -3.619 -41.198 29.298 1.00 11.07 C ATOM 463 CG1 VAL A 59 -5.129 -41.468 29.439 1.00 16.62 C ATOM 464 CG2 VAL A 59 -2.766 -42.244 30.030 1.00 12.20 C ATOM 0 H VAL A 59 -1.659 -39.851 28.171 1.00 9.79 H new ATOM 0 HA VAL A 59 -3.286 -41.923 27.407 1.00 10.58 H new ATOM 0 HB VAL A 59 -3.464 -40.342 29.728 1.00 11.07 H new ATOM 0 HG11 VAL A 59 -5.358 -41.546 30.378 1.00 16.62 H new ATOM 0 HG12 VAL A 59 -5.627 -40.735 29.045 1.00 16.62 H new ATOM 0 HG13 VAL A 59 -5.354 -42.294 28.983 1.00 16.62 H new ATOM 0 HG21 VAL A 59 -3.059 -42.313 30.952 1.00 12.20 H new ATOM 0 HG22 VAL A 59 -2.865 -43.105 29.594 1.00 12.20 H new ATOM 0 HG23 VAL A 59 -1.834 -41.976 30.007 1.00 12.20 H new ATOM 465 N ILE A 60 -4.991 -40.405 26.361 1.00 10.61 N ATOM 466 CA ILE A 60 -5.846 -39.475 25.621 1.00 10.37 C ATOM 467 C ILE A 60 -7.255 -39.975 25.715 1.00 10.16 C ATOM 468 O ILE A 60 -7.551 -41.180 25.501 1.00 11.73 O ATOM 469 CB ILE A 60 -5.524 -39.431 24.139 1.00 11.53 C ATOM 470 CG1 ILE A 60 -4.036 -39.077 23.926 1.00 12.67 C ATOM 471 CG2 ILE A 60 -6.432 -38.346 23.451 1.00 13.63 C ATOM 472 CD1 ILE A 60 -3.632 -39.165 22.519 1.00 14.39 C ATOM 0 H ILE A 60 -5.170 -41.234 26.220 1.00 10.61 H new ATOM 0 HA ILE A 60 -5.711 -38.594 26.004 1.00 10.37 H new ATOM 0 HB ILE A 60 -5.694 -40.301 23.746 1.00 11.53 H new ATOM 0 HG12 ILE A 60 -3.871 -38.178 24.251 1.00 12.67 H new ATOM 0 HG13 ILE A 60 -3.486 -39.675 24.455 1.00 12.67 H new ATOM 0 HG21 ILE A 60 -6.233 -38.311 22.502 1.00 13.63 H new ATOM 0 HG22 ILE A 60 -7.365 -38.578 23.576 1.00 13.63 H new ATOM 0 HG23 ILE A 60 -6.259 -37.479 23.849 1.00 13.63 H new ATOM 0 HD11 ILE A 60 -2.693 -38.935 22.437 1.00 14.39 H new ATOM 0 HD12 ILE A 60 -3.772 -40.070 22.198 1.00 14.39 H new ATOM 0 HD13 ILE A 60 -4.163 -38.549 21.990 1.00 14.39 H new ATOM 473 N GLU A 61 -8.190 -39.088 26.049 1.00 9.92 N ATOM 474 CA GLU A 61 -9.636 -39.337 25.934 1.00 10.35 C ATOM 475 C GLU A 61 -10.160 -38.582 24.740 1.00 10.69 C ATOM 476 O GLU A 61 -10.005 -37.335 24.660 1.00 10.94 O ATOM 477 CB GLU A 61 -10.393 -38.866 27.148 1.00 11.54 C ATOM 478 CG GLU A 61 -10.123 -39.707 28.380 1.00 15.29 C ATOM 479 CD GLU A 61 -10.828 -39.151 29.599 1.00 16.00 C ATOM 480 OE1 GLU A 61 -10.603 -39.714 30.716 1.00 19.73 O ATOM 481 OE2 GLU A 61 -11.655 -38.198 29.494 1.00 16.32 O ATOM 0 H GLU A 61 -8.002 -38.307 26.356 1.00 9.92 H new ATOM 0 HA GLU A 61 -9.765 -40.294 25.845 1.00 10.35 H new ATOM 0 HB2 GLU A 61 -10.155 -37.944 27.334 1.00 11.54 H new ATOM 0 HB3 GLU A 61 -11.344 -38.880 26.955 1.00 11.54 H new ATOM 0 HG2 GLU A 61 -10.418 -40.618 28.222 1.00 15.29 H new ATOM 0 HG3 GLU A 61 -9.168 -39.742 28.546 1.00 15.29 H new ATOM 482 N ASN A 62 -10.676 -39.293 23.760 1.00 12.59 N ATOM 483 CA ASN A 62 -11.286 -38.668 22.561 1.00 14.41 C ATOM 484 C ASN A 62 -12.793 -38.634 22.671 1.00 14.57 C ATOM 485 O ASN A 62 -13.407 -39.681 22.940 1.00 16.36 O ATOM 486 CB ASN A 62 -10.949 -39.511 21.357 1.00 16.21 C ATOM 487 CG ASN A 62 -9.534 -39.439 20.986 1.00 18.99 C ATOM 488 OD1 ASN A 62 -9.237 -38.413 20.198 1.00 19.01 O flip ATOM 489 ND2 ASN A 62 -8.682 -40.252 21.377 1.00 22.29 N flip ATOM 0 H ASN A 62 -10.692 -40.153 23.753 1.00 12.59 H new ATOM 0 HA ASN A 62 -10.944 -37.764 22.483 1.00 14.41 H new ATOM 0 HB2 ASN A 62 -11.184 -40.434 21.539 1.00 16.21 H new ATOM 0 HB3 ASN A 62 -11.490 -39.223 20.605 1.00 16.21 H new ATOM 0 HD21 ASN A 62 -8.913 -40.905 21.887 1.00 22.29 H new ATOM 0 HD22 ASN A 62 -7.861 -40.163 21.138 1.00 22.29 H new ATOM 490 N ARG A 63 -13.449 -37.496 22.457 1.00 12.53 N ATOM 491 CA ARG A 63 -14.889 -37.380 22.301 1.00 13.17 C ATOM 492 C ARG A 63 -15.123 -36.734 20.933 1.00 13.26 C ATOM 493 O ARG A 63 -14.387 -35.815 20.530 1.00 13.12 O ATOM 494 CB ARG A 63 -15.437 -36.521 23.406 1.00 13.25 C ATOM 495 CG ARG A 63 -15.400 -37.241 24.803 1.00 15.54 C ATOM 496 CD ARG A 63 -15.788 -36.355 25.956 1.00 17.64 C ATOM 497 NE ARG A 63 -15.867 -37.163 27.180 1.00 18.80 N ATOM 498 CZ ARG A 63 -14.802 -37.559 27.892 1.00 17.85 C ATOM 499 NH1 ARG A 63 -13.564 -37.197 27.569 1.00 15.19 N ATOM 500 NH2 ARG A 63 -14.973 -38.362 28.963 1.00 20.70 N ATOM 0 H ARG A 63 -13.045 -36.739 22.397 1.00 12.53 H new ATOM 0 HA ARG A 63 -15.335 -38.240 22.349 1.00 13.17 H new ATOM 0 HB2 ARG A 63 -14.926 -35.698 23.456 1.00 13.25 H new ATOM 0 HB3 ARG A 63 -16.351 -36.274 23.197 1.00 13.25 H new ATOM 0 HG2 ARG A 63 -15.997 -38.005 24.779 1.00 15.54 H new ATOM 0 HG3 ARG A 63 -14.506 -37.584 24.957 1.00 15.54 H new ATOM 0 HD2 ARG A 63 -15.137 -35.645 26.066 1.00 17.64 H new ATOM 0 HD3 ARG A 63 -16.643 -35.931 25.779 1.00 17.64 H new ATOM 0 HE ARG A 63 -16.646 -37.397 27.458 1.00 18.80 H new ATOM 0 HH11 ARG A 63 -13.428 -36.694 26.885 1.00 15.19 H new ATOM 0 HH12 ARG A 63 -12.900 -37.466 28.044 1.00 15.19 H new ATOM 0 HH21 ARG A 63 -15.763 -38.618 29.187 1.00 20.70 H new ATOM 0 HH22 ARG A 63 -14.292 -38.618 29.422 1.00 20.70 H new ATOM 501 N CYS A 64 -16.084 -37.224 20.187 1.00 11.16 N ATOM 502 CA CYS A 64 -16.297 -36.686 18.856 1.00 10.04 C ATOM 503 C CYS A 64 -17.754 -36.785 18.465 1.00 9.42 C ATOM 504 O CYS A 64 -18.381 -37.869 18.624 1.00 11.26 O ATOM 505 CB CYS A 64 -15.414 -37.402 17.845 1.00 11.65 C ATOM 506 SG CYS A 64 -15.178 -36.416 16.314 1.00 14.06 S ATOM 0 H CYS A 64 -16.618 -37.856 20.421 1.00 11.16 H new ATOM 0 HA CYS A 64 -16.052 -35.747 18.862 1.00 10.04 H new ATOM 0 HB2 CYS A 64 -14.550 -37.587 18.246 1.00 11.65 H new ATOM 0 HB3 CYS A 64 -15.811 -38.258 17.619 1.00 11.65 H new ATOM 0 HG CYS A 64 -15.488 -37.076 15.361 1.00 14.06 H new ATOM 507 N TYR A 65 -18.301 -35.709 17.946 1.00 9.70 N ATOM 508 CA TYR A 65 -19.729 -35.597 17.598 1.00 9.37 C ATOM 509 C TYR A 65 -19.876 -34.960 16.244 1.00 9.50 C ATOM 510 O TYR A 65 -18.920 -34.529 15.642 1.00 9.90 O ATOM 511 CB TYR A 65 -20.519 -34.745 18.630 1.00 10.11 C ATOM 512 CG TYR A 65 -20.226 -35.154 20.024 1.00 11.73 C ATOM 513 CD1 TYR A 65 -20.926 -36.172 20.637 1.00 14.22 C ATOM 514 CD2 TYR A 65 -19.150 -34.570 20.718 1.00 14.36 C ATOM 515 CE1 TYR A 65 -20.554 -36.561 21.976 1.00 17.01 C ATOM 516 CE2 TYR A 65 -18.785 -34.948 21.998 1.00 16.14 C ATOM 517 CZ TYR A 65 -19.513 -35.944 22.613 1.00 16.54 C ATOM 518 OH TYR A 65 -19.131 -36.332 23.901 1.00 22.99 O ATOM 0 H TYR A 65 -17.852 -34.995 17.776 1.00 9.70 H new ATOM 0 HA TYR A 65 -20.093 -36.496 17.598 1.00 9.37 H new ATOM 0 HB2 TYR A 65 -20.295 -33.808 18.514 1.00 10.11 H new ATOM 0 HB3 TYR A 65 -21.470 -34.833 18.461 1.00 10.11 H new ATOM 0 HD1 TYR A 65 -21.624 -36.600 20.196 1.00 14.22 H new ATOM 0 HD2 TYR A 65 -18.662 -33.899 20.297 1.00 14.36 H new ATOM 0 HE1 TYR A 65 -21.025 -37.236 22.409 1.00 17.01 H new ATOM 0 HE2 TYR A 65 -18.069 -34.542 22.431 1.00 16.14 H new ATOM 0 HH TYR A 65 -18.481 -35.864 24.154 1.00 22.99 H new ATOM 519 N GLN A 66 -21.106 -34.897 15.736 1.00 10.55 N ATOM 520 CA GLN A 66 -21.399 -34.185 14.519 1.00 10.88 C ATOM 521 C GLN A 66 -22.806 -33.599 14.583 1.00 10.51 C ATOM 522 O GLN A 66 -23.646 -34.105 15.334 1.00 11.20 O ATOM 523 CB GLN A 66 -21.268 -35.106 13.311 1.00 13.11 C ATOM 524 CG GLN A 66 -22.192 -36.266 13.332 1.00 15.31 C ATOM 525 CD GLN A 66 -22.013 -37.130 12.074 1.00 21.63 C ATOM 526 OE1 GLN A 66 -22.031 -36.627 10.950 1.00 24.20 O ATOM 527 NE2 GLN A 66 -21.785 -38.395 12.277 1.00 24.87 N ATOM 0 H GLN A 66 -21.790 -35.272 16.098 1.00 10.55 H new ATOM 0 HA GLN A 66 -20.759 -33.463 14.423 1.00 10.88 H new ATOM 0 HB2 GLN A 66 -21.429 -34.591 12.505 1.00 13.11 H new ATOM 0 HB3 GLN A 66 -20.356 -35.432 13.262 1.00 13.11 H new ATOM 0 HG2 GLN A 66 -22.027 -36.802 14.124 1.00 15.31 H new ATOM 0 HG3 GLN A 66 -23.109 -35.954 13.387 1.00 15.31 H new ATOM 0 HE21 GLN A 66 -21.781 -38.708 13.078 1.00 24.87 H new ATOM 0 HE22 GLN A 66 -21.638 -38.918 11.610 1.00 24.87 H new ATOM 528 N THR A 67 -23.045 -32.599 13.754 1.00 10.89 N ATOM 529 CA THR A 67 -24.356 -32.000 13.562 1.00 11.31 C ATOM 530 C THR A 67 -24.469 -31.659 12.066 1.00 12.39 C ATOM 531 O THR A 67 -23.510 -31.800 11.316 1.00 12.71 O ATOM 532 CB THR A 67 -24.528 -30.689 14.330 1.00 11.18 C ATOM 533 OG1 THR A 67 -23.739 -29.670 13.712 1.00 12.37 O ATOM 534 CG2 THR A 67 -24.216 -30.820 15.824 1.00 12.58 C ATOM 0 H THR A 67 -22.432 -32.237 13.272 1.00 10.89 H new ATOM 0 HA THR A 67 -25.027 -32.625 13.879 1.00 11.31 H new ATOM 0 HB THR A 67 -25.465 -30.441 14.286 1.00 11.18 H new ATOM 0 HG1 THR A 67 -23.166 -29.389 14.258 1.00 12.37 H new ATOM 0 HG21 THR A 67 -24.342 -29.961 16.258 1.00 12.58 H new ATOM 0 HG22 THR A 67 -24.812 -31.473 16.223 1.00 12.58 H new ATOM 0 HG23 THR A 67 -23.297 -31.108 15.939 1.00 12.58 H new ATOM 535 N PRO A 68 -25.632 -31.184 11.622 1.00 13.82 N ATOM 536 CA PRO A 68 -25.704 -30.847 10.193 1.00 14.98 C ATOM 537 C PRO A 68 -24.739 -29.770 9.735 1.00 16.11 C ATOM 538 O PRO A 68 -24.278 -29.838 8.591 1.00 16.83 O ATOM 539 CB PRO A 68 -27.151 -30.378 10.014 1.00 15.04 C ATOM 540 CG PRO A 68 -27.887 -31.281 11.024 1.00 15.50 C ATOM 541 CD PRO A 68 -26.955 -31.220 12.261 1.00 14.79 C ATOM 0 HA PRO A 68 -25.451 -31.613 9.654 1.00 14.98 H new ATOM 0 HB2 PRO A 68 -27.258 -29.436 10.219 1.00 15.04 H new ATOM 0 HB3 PRO A 68 -27.469 -30.509 9.107 1.00 15.04 H new ATOM 0 HG2 PRO A 68 -28.777 -30.950 11.224 1.00 15.50 H new ATOM 0 HG3 PRO A 68 -27.989 -32.187 10.692 1.00 15.50 H new ATOM 0 HD2 PRO A 68 -27.120 -30.434 12.805 1.00 14.79 H new ATOM 0 HD3 PRO A 68 -27.062 -31.992 12.838 1.00 14.79 H new ATOM 542 N GLN A 69 -24.323 -28.883 10.643 1.00 14.36 N ATOM 543 CA GLN A 69 -23.455 -27.753 10.284 1.00 14.81 C ATOM 544 C GLN A 69 -22.006 -28.094 10.546 1.00 12.72 C ATOM 545 O GLN A 69 -21.125 -27.433 10.000 1.00 13.41 O ATOM 546 CB GLN A 69 -23.836 -26.491 11.073 1.00 14.79 C ATOM 547 CG GLN A 69 -25.122 -25.855 10.624 1.00 18.32 C ATOM 548 CD GLN A 69 -26.358 -26.604 11.114 1.00 22.41 C ATOM 549 OE1 GLN A 69 -26.344 -27.326 12.138 1.00 23.92 O ATOM 550 NE2 GLN A 69 -27.462 -26.409 10.389 1.00 23.75 N ATOM 0 H GLN A 69 -24.533 -28.917 11.476 1.00 14.36 H new ATOM 0 HA GLN A 69 -23.577 -27.577 9.338 1.00 14.81 H new ATOM 0 HB2 GLN A 69 -23.909 -26.718 12.013 1.00 14.79 H new ATOM 0 HB3 GLN A 69 -23.120 -25.842 10.993 1.00 14.79 H new ATOM 0 HG2 GLN A 69 -25.155 -24.941 10.946 1.00 18.32 H new ATOM 0 HG3 GLN A 69 -25.137 -25.815 9.655 1.00 18.32 H new ATOM 0 HE21 GLN A 69 -27.435 -25.907 9.691 1.00 23.75 H new ATOM 0 HE22 GLN A 69 -28.200 -26.786 10.620 1.00 23.75 H new ATOM 551 N PHE A 70 -21.762 -29.056 11.451 1.00 13.30 N ATOM 552 CA PHE A 70 -20.394 -29.428 11.855 1.00 13.20 C ATOM 553 C PHE A 70 -20.150 -30.866 11.521 1.00 14.11 C ATOM 554 O PHE A 70 -20.699 -31.793 12.130 1.00 13.48 O ATOM 555 CB PHE A 70 -20.209 -29.130 13.367 1.00 12.58 C ATOM 556 CG PHE A 70 -20.428 -27.706 13.689 1.00 12.93 C ATOM 557 CD1 PHE A 70 -21.408 -27.335 14.540 1.00 12.97 C ATOM 558 CD2 PHE A 70 -19.617 -26.715 13.104 1.00 15.76 C ATOM 559 CE1 PHE A 70 -21.641 -25.945 14.776 1.00 15.61 C ATOM 560 CE2 PHE A 70 -19.822 -25.400 13.343 1.00 16.64 C ATOM 561 CZ PHE A 70 -20.800 -25.010 14.138 1.00 13.60 C ATOM 0 H PHE A 70 -22.379 -29.507 11.844 1.00 13.30 H new ATOM 0 HA PHE A 70 -19.738 -28.903 11.370 1.00 13.20 H new ATOM 0 HB2 PHE A 70 -20.827 -29.674 13.880 1.00 12.58 H new ATOM 0 HB3 PHE A 70 -19.314 -29.387 13.638 1.00 12.58 H new ATOM 0 HD1 PHE A 70 -21.926 -27.978 14.968 1.00 12.97 H new ATOM 0 HD2 PHE A 70 -18.924 -26.971 12.540 1.00 15.76 H new ATOM 0 HE1 PHE A 70 -22.329 -25.665 15.335 1.00 15.61 H new ATOM 0 HE2 PHE A 70 -19.270 -24.766 12.944 1.00 16.64 H new ATOM 0 HZ PHE A 70 -20.937 -24.101 14.280 1.00 13.60 H new ATOM 562 N ARG A 71 -19.264 -31.078 10.552 1.00 13.80 N ATOM 563 CA ARG A 71 -18.886 -32.404 10.096 1.00 14.96 C ATOM 564 C ARG A 71 -18.317 -33.271 11.200 1.00 13.59 C ATOM 565 O ARG A 71 -18.568 -34.455 11.289 1.00 13.44 O ATOM 566 CB ARG A 71 -17.810 -32.233 8.991 1.00 17.03 C ATOM 567 CG ARG A 71 -17.216 -33.482 8.447 1.00 20.48 C ATOM 568 CD ARG A 71 -16.034 -33.161 7.452 1.00 19.26 C ATOM 569 NE ARG A 71 -14.754 -32.705 8.040 1.00 18.49 N ATOM 570 CZ ARG A 71 -13.818 -33.528 8.502 1.00 19.54 C ATOM 571 NH1 ARG A 71 -14.046 -34.835 8.595 1.00 21.63 N ATOM 572 NH2 ARG A 71 -12.670 -33.030 8.949 1.00 19.74 N ATOM 0 H ARG A 71 -18.861 -30.442 10.136 1.00 13.80 H new ATOM 0 HA ARG A 71 -19.684 -32.849 9.770 1.00 14.96 H new ATOM 0 HB2 ARG A 71 -18.205 -31.739 8.256 1.00 17.03 H new ATOM 0 HB3 ARG A 71 -17.093 -31.686 9.347 1.00 17.03 H new ATOM 0 HG2 ARG A 71 -16.889 -34.032 9.176 1.00 20.48 H new ATOM 0 HG3 ARG A 71 -17.899 -33.995 7.988 1.00 20.48 H new ATOM 0 HD2 ARG A 71 -15.857 -33.959 6.930 1.00 19.26 H new ATOM 0 HD3 ARG A 71 -16.340 -32.479 6.833 1.00 19.26 H new ATOM 0 HE ARG A 71 -14.608 -31.859 8.085 1.00 18.49 H new ATOM 0 HH11 ARG A 71 -14.806 -35.157 8.355 1.00 21.63 H new ATOM 0 HH12 ARG A 71 -13.433 -35.358 8.895 1.00 21.63 H new ATOM 0 HH21 ARG A 71 -12.537 -32.180 8.938 1.00 19.74 H new ATOM 0 HH22 ARG A 71 -12.060 -33.557 9.249 1.00 19.74 H new ATOM 573 N LYS A 72 -17.532 -32.647 12.079 1.00 12.01 N ATOM 574 CA LYS A 72 -16.821 -33.357 13.142 1.00 11.28 C ATOM 575 C LYS A 72 -16.529 -32.366 14.256 1.00 10.60 C ATOM 576 O LYS A 72 -16.017 -31.275 13.986 1.00 12.22 O ATOM 577 CB LYS A 72 -15.510 -33.872 12.572 1.00 12.67 C ATOM 578 CG LYS A 72 -14.624 -34.590 13.481 1.00 13.97 C ATOM 579 CD LYS A 72 -13.376 -35.130 12.678 1.00 17.60 C ATOM 580 CE ALYS A 72 -12.229 -35.435 13.627 0.50 12.86 C ATOM 581 NZ ALYS A 72 -11.183 -36.032 12.760 0.50 11.98 N ATOM 0 H LYS A 72 -17.397 -31.798 12.075 1.00 12.01 H new ATOM 0 HA LYS A 72 -17.348 -34.097 13.483 1.00 11.28 H new ATOM 0 HB2 LYS A 72 -15.716 -34.458 11.827 1.00 12.67 H new ATOM 0 HB3 LYS A 72 -15.021 -33.116 12.211 1.00 12.67 H new ATOM 0 HG2 LYS A 72 -14.332 -34.003 14.196 1.00 13.97 H new ATOM 0 HG3 LYS A 72 -15.098 -35.327 13.896 1.00 13.97 H new ATOM 0 HD2ALYS A 72 -13.621 -35.931 12.189 0.50 17.60 H new ATOM 0 HD3ALYS A 72 -13.096 -34.472 12.023 0.50 17.60 H new ATOM 0 HE2ALYS A 72 -11.909 -34.631 14.065 0.50 12.86 H new ATOM 0 HE3ALYS A 72 -12.502 -36.049 14.326 0.50 12.86 H new ATOM 0 HZ1ALYS A 72 -10.432 -36.132 13.227 0.50 11.98 H new ATOM 0 HZ2ALYS A 72 -11.458 -36.826 12.467 0.50 11.98 H new ATOM 0 HZ3ALYS A 72 -11.031 -35.496 12.066 0.50 11.98 H new ATOM 582 N MET A 73 -16.853 -32.721 15.481 1.00 9.23 N ATOM 583 CA AMET A 73 -16.653 -31.848 16.648 0.50 8.26 C ATOM 584 CA BMET A 73 -16.670 -31.848 16.656 0.50 8.75 C ATOM 585 C MET A 73 -15.834 -32.656 17.624 1.00 9.11 C ATOM 586 O MET A 73 -16.374 -33.569 18.286 1.00 9.51 O ATOM 587 CB AMET A 73 -18.014 -31.489 17.236 0.50 8.66 C ATOM 588 CB BMET A 73 -18.031 -31.483 17.271 0.50 9.68 C ATOM 589 CG AMET A 73 -18.943 -30.839 16.234 0.50 8.96 C ATOM 590 CG BMET A 73 -18.947 -30.645 16.372 0.50 12.09 C ATOM 591 SD AMET A 73 -20.682 -30.883 16.696 0.50 7.13 S ATOM 592 SD BMET A 73 -20.252 -29.702 17.219 0.50 17.78 S ATOM 593 CE AMET A 73 -20.692 -29.989 18.266 0.50 7.69 C ATOM 594 CE BMET A 73 -20.856 -30.907 18.385 0.50 16.13 C ATOM 0 H AMET A 73 -17.201 -33.483 15.674 0.50 9.23 H new ATOM 0 H BMET A 73 -17.193 -33.487 15.672 0.50 9.23 H new ATOM 0 HA AMET A 73 -16.202 -31.018 16.426 0.50 8.75 H new ATOM 0 HA BMET A 73 -16.239 -31.010 16.426 0.50 8.75 H new ATOM 0 HB2AMET A 73 -18.432 -32.293 17.582 0.50 9.68 H new ATOM 0 HB2BMET A 73 -18.494 -32.302 17.507 0.50 9.68 H new ATOM 0 HB3AMET A 73 -17.887 -30.889 17.987 0.50 9.68 H new ATOM 0 HB3BMET A 73 -17.877 -30.996 18.096 0.50 9.68 H new ATOM 0 HG2AMET A 73 -18.675 -29.915 16.113 0.50 12.09 H new ATOM 0 HG2BMET A 73 -18.397 -30.023 15.870 0.50 12.09 H new ATOM 0 HG3AMET A 73 -18.836 -31.280 15.377 0.50 12.09 H new ATOM 0 HG3BMET A 73 -19.367 -31.236 15.727 0.50 12.09 H new ATOM 0 HE1AMET A 73 -21.595 -29.966 18.620 0.50 16.13 H new ATOM 0 HE1BMET A 73 -21.551 -30.508 18.932 0.50 16.13 H new ATOM 0 HE2AMET A 73 -20.109 -30.438 18.898 0.50 16.13 H new ATOM 0 HE2BMET A 73 -21.219 -31.668 17.905 0.50 16.13 H new ATOM 0 HE3AMET A 73 -20.377 -29.082 18.124 0.50 16.13 H new ATOM 0 HE3BMET A 73 -20.127 -31.202 18.953 0.50 16.13 H new ATOM 595 N AHIS A 74 -14.561 -32.347 17.742 0.70 8.19 N ATOM 596 N BHIS A 74 -14.522 -32.354 17.636 0.30 7.67 N ATOM 597 CA AHIS A 74 -13.646 -33.241 18.403 0.70 8.92 C ATOM 598 CA BHIS A 74 -13.487 -33.041 18.427 0.30 6.87 C ATOM 599 C AHIS A 74 -13.065 -32.544 19.633 0.70 8.53 C ATOM 600 C BHIS A 74 -13.233 -32.380 19.772 0.30 7.03 C ATOM 601 O AHIS A 74 -12.554 -31.402 19.508 0.70 8.30 O ATOM 602 O BHIS A 74 -13.026 -31.159 19.861 0.30 5.26 O ATOM 603 CB AHIS A 74 -12.555 -33.558 17.379 0.70 11.51 C ATOM 604 CB BHIS A 74 -12.119 -33.057 17.706 0.30 6.92 C ATOM 605 CG AHIS A 74 -11.666 -34.687 17.731 0.70 14.57 C ATOM 606 CG BHIS A 74 -11.908 -34.223 16.796 0.30 8.23 C ATOM 607 ND1AHIS A 74 -10.504 -34.926 17.029 0.70 18.45 N ATOM 608 ND1BHIS A 74 -12.062 -34.325 15.461 0.30 7.98 N flip ATOM 609 CD2AHIS A 74 -11.776 -35.676 18.637 0.70 14.21 C ATOM 610 CD2BHIS A 74 -11.463 -35.462 17.225 0.30 8.67 C flip ATOM 611 CE1AHIS A 74 -9.913 -36.004 17.514 0.70 19.23 C ATOM 612 CE1BHIS A 74 -11.721 -35.604 15.104 0.30 9.78 C flip ATOM 613 NE2AHIS A 74 -10.665 -36.483 18.487 0.70 17.54 N ATOM 614 NE2BHIS A 74 -11.353 -36.267 16.184 0.30 10.17 N flip ATOM 0 H AHIS A 74 -14.207 -31.622 17.445 0.70 7.67 H new ATOM 0 H BHIS A 74 -14.200 -31.714 17.161 0.30 7.67 H new ATOM 0 HA AHIS A 74 -14.075 -34.056 18.707 0.70 6.87 H new ATOM 0 HA BHIS A 74 -13.838 -33.937 18.546 0.30 6.87 H new ATOM 0 HB2AHIS A 74 -12.978 -33.752 16.528 0.70 6.92 H new ATOM 0 HB2BHIS A 74 -12.029 -32.240 17.191 0.30 6.92 H new ATOM 0 HB3AHIS A 74 -12.011 -32.765 17.252 0.70 6.92 H new ATOM 0 HB3BHIS A 74 -11.415 -33.051 18.373 0.30 6.92 H new ATOM 0 HD1BHIS A 74 -12.326 -33.702 14.930 0.30 7.98 H new ATOM 0 HD2AHIS A 74 -12.468 -35.794 19.247 0.70 8.67 H new ATOM 0 HD2BHIS A 74 -11.272 -35.691 18.106 0.30 8.67 H new ATOM 0 HE1AHIS A 74 -9.107 -36.363 17.220 0.70 9.78 H new ATOM 0 HE1BHIS A 74 -11.745 -35.949 14.241 0.30 9.78 H new ATOM 0 HE2AHIS A 74 -10.491 -37.185 18.953 0.70 10.17 H new ATOM 615 N LEU A 75 -13.138 -33.187 20.810 1.00 8.11 N ATOM 616 CA LEU A 75 -12.581 -32.703 22.073 1.00 8.68 C ATOM 617 C LEU A 75 -11.671 -33.777 22.564 1.00 8.95 C ATOM 618 O LEU A 75 -12.123 -34.918 22.822 1.00 9.29 O ATOM 619 CB LEU A 75 -13.682 -32.372 23.088 1.00 10.29 C ATOM 620 CG LEU A 75 -13.174 -31.975 24.466 1.00 9.41 C ATOM 621 CD1 LEU A 75 -12.370 -30.677 24.464 1.00 10.72 C ATOM 622 CD2 LEU A 75 -14.357 -31.830 25.434 1.00 12.51 C ATOM 0 H ALEU A 75 -13.531 -33.948 20.891 0.70 8.11 H new ATOM 0 H BLEU A 75 -13.385 -34.011 20.813 0.30 8.11 H new ATOM 0 HA LEU A 75 -12.096 -31.873 21.946 1.00 8.68 H new ATOM 0 HB2 LEU A 75 -14.224 -31.649 22.735 1.00 10.29 H new ATOM 0 HB3 LEU A 75 -14.263 -33.143 23.180 1.00 10.29 H new ATOM 0 HG LEU A 75 -12.576 -32.683 24.752 1.00 9.41 H new ATOM 0 HD11 LEU A 75 -12.075 -30.478 25.366 1.00 10.72 H new ATOM 0 HD12 LEU A 75 -11.597 -30.776 23.886 1.00 10.72 H new ATOM 0 HD13 LEU A 75 -12.926 -29.952 24.139 1.00 10.72 H new ATOM 0 HD21 LEU A 75 -14.029 -31.577 26.311 1.00 12.51 H new ATOM 0 HD22 LEU A 75 -14.962 -31.146 25.106 1.00 12.51 H new ATOM 0 HD23 LEU A 75 -14.829 -32.675 25.497 1.00 12.51 H new ATOM 623 N AGLU A 76 -10.390 -33.479 22.690 0.50 8.89 N ATOM 624 N BGLU A 76 -10.377 -33.466 22.672 0.50 8.39 N ATOM 625 CA AGLU A 76 -9.467 -34.436 23.264 0.50 9.08 C ATOM 626 CA BGLU A 76 -9.350 -34.391 23.181 0.50 7.92 C ATOM 627 C AGLU A 76 -8.981 -33.840 24.566 0.50 7.75 C ATOM 628 C BGLU A 76 -8.814 -33.853 24.516 0.50 7.42 C ATOM 629 O AGLU A 76 -8.772 -32.617 24.662 0.50 7.43 O ATOM 630 O BGLU A 76 -8.443 -32.652 24.606 0.50 6.86 O ATOM 631 CB AGLU A 76 -8.248 -34.624 22.386 0.50 11.18 C ATOM 632 CB BGLU A 76 -8.175 -34.535 22.181 0.50 9.37 C ATOM 633 CG AGLU A 76 -8.449 -35.209 21.068 0.50 14.95 C ATOM 634 CG BGLU A 76 -8.379 -35.589 21.126 0.50 10.97 C ATOM 635 CD AGLU A 76 -7.098 -35.469 20.549 0.50 16.00 C ATOM 636 CD BGLU A 76 -9.404 -35.130 20.133 0.50 13.13 C ATOM 637 OE1AGLU A 76 -6.626 -36.592 20.755 0.50 17.36 O ATOM 638 OE1BGLU A 76 -9.222 -34.084 19.442 0.50 14.98 O ATOM 639 OE2AGLU A 76 -6.452 -34.495 20.081 0.50 20.44 O ATOM 640 OE2BGLU A 76 -10.433 -35.808 20.052 0.50 15.69 O ATOM 0 H AGLU A 76 -10.037 -32.732 22.451 0.50 8.39 H new ATOM 0 H BGLU A 76 -10.062 -32.698 22.448 0.50 8.39 H new ATOM 0 HA AGLU A 76 -9.916 -35.290 23.370 0.50 7.92 H new ATOM 0 HA BGLU A 76 -9.754 -35.264 23.301 0.50 7.92 H new ATOM 0 HB2AGLU A 76 -7.829 -33.757 22.267 0.50 9.37 H new ATOM 0 HB2BGLU A 76 -8.030 -33.681 21.745 0.50 9.37 H new ATOM 0 HB3AGLU A 76 -7.616 -35.181 22.867 0.50 9.37 H new ATOM 0 HB3BGLU A 76 -7.367 -34.741 22.676 0.50 9.37 H new ATOM 0 HG2AGLU A 76 -8.966 -36.028 21.124 0.50 10.97 H new ATOM 0 HG2BGLU A 76 -7.540 -35.772 20.675 0.50 10.97 H new ATOM 0 HG3AGLU A 76 -8.937 -34.604 20.487 0.50 10.97 H new ATOM 0 HG3BGLU A 76 -8.666 -36.419 21.538 0.50 10.97 H new ATOM 641 N LEU A 77 -8.757 -34.712 25.544 1.00 7.77 N ATOM 642 CA LEU A 77 -8.064 -34.405 26.791 1.00 7.99 C ATOM 643 C LEU A 77 -6.908 -35.374 26.876 1.00 8.05 C ATOM 644 O LEU A 77 -7.071 -36.572 26.613 1.00 9.63 O ATOM 645 CB LEU A 77 -9.002 -34.596 27.982 1.00 9.90 C ATOM 646 CG LEU A 77 -10.273 -33.779 27.942 1.00 10.25 C ATOM 647 CD1 LEU A 77 -11.224 -34.187 29.121 1.00 14.09 C ATOM 648 CD2 LEU A 77 -10.010 -32.274 27.952 1.00 12.21 C ATOM 0 H ALEU A 77 -9.015 -35.531 25.497 0.50 7.77 H new ATOM 0 H BLEU A 77 -9.123 -35.490 25.531 0.50 7.77 H new ATOM 0 HA LEU A 77 -7.759 -33.484 26.809 1.00 7.99 H new ATOM 0 HB2 LEU A 77 -9.240 -35.535 28.040 1.00 9.90 H new ATOM 0 HB3 LEU A 77 -8.519 -34.376 28.794 1.00 9.90 H new ATOM 0 HG LEU A 77 -10.710 -33.977 27.099 1.00 10.25 H new ATOM 0 HD11 LEU A 77 -12.034 -33.655 29.082 1.00 14.09 H new ATOM 0 HD12 LEU A 77 -11.451 -35.127 29.044 1.00 14.09 H new ATOM 0 HD13 LEU A 77 -10.776 -34.032 29.967 1.00 14.09 H new ATOM 0 HD21 LEU A 77 -10.854 -31.798 27.925 1.00 12.21 H new ATOM 0 HD22 LEU A 77 -9.530 -32.035 28.760 1.00 12.21 H new ATOM 0 HD23 LEU A 77 -9.479 -32.033 27.177 1.00 12.21 H new ATOM 649 N ALA A 78 -5.735 -34.887 27.254 1.00 7.81 N ATOM 650 CA ALA A 78 -4.580 -35.770 27.312 1.00 8.20 C ATOM 651 C ALA A 78 -3.646 -35.432 28.447 1.00 8.65 C ATOM 652 O ALA A 78 -3.630 -34.276 28.909 1.00 9.04 O ATOM 653 CB ALA A 78 -3.845 -35.750 25.953 1.00 9.29 C ATOM 0 H ALA A 78 -5.587 -34.069 27.476 1.00 7.81 H new ATOM 0 HA ALA A 78 -4.900 -36.668 27.490 1.00 8.20 H new ATOM 0 HB1 ALA A 78 -3.075 -36.339 25.993 1.00 9.29 H new ATOM 0 HB2 ALA A 78 -4.447 -36.052 25.255 1.00 9.29 H new ATOM 0 HB3 ALA A 78 -3.551 -34.847 25.757 1.00 9.29 H new ATOM 654 N LYS A 79 -2.891 -36.430 28.888 1.00 9.50 N ATOM 655 CA ALYS A 79 -1.846 -36.219 29.887 0.44 9.84 C ATOM 656 CA BLYS A 79 -1.861 -36.208 29.867 0.56 10.22 C ATOM 657 C LYS A 79 -0.638 -37.041 29.542 1.00 9.44 C ATOM 658 O LYS A 79 -0.757 -38.224 29.195 1.00 10.68 O ATOM 659 CB ALYS A 79 -2.267 -36.652 31.298 0.44 10.57 C ATOM 660 CB BLYS A 79 -2.377 -36.574 31.259 0.56 11.54 C ATOM 661 CG ALYS A 79 -3.383 -35.891 31.933 0.44 11.36 C ATOM 662 CG BLYS A 79 -1.401 -36.327 32.333 0.56 14.12 C ATOM 663 CD ALYS A 79 -3.612 -36.393 33.350 0.44 14.00 C ATOM 664 CD BLYS A 79 -1.835 -36.910 33.676 0.56 20.03 C ATOM 665 CE ALYS A 79 -4.082 -35.264 34.192 0.44 18.18 C ATOM 666 CE BLYS A 79 -2.871 -36.082 34.386 0.56 15.85 C ATOM 667 NZ ALYS A 79 -3.004 -34.684 34.983 0.44 13.18 N ATOM 668 NZ BLYS A 79 -2.331 -34.762 34.890 0.56 20.95 N ATOM 0 H ALYS A 79 -2.967 -37.244 28.620 0.44 9.50 H new ATOM 0 H BLYS A 79 -2.967 -37.246 28.626 0.56 9.50 H new ATOM 0 HA ALYS A 79 -1.665 -35.266 29.881 0.44 10.22 H new ATOM 0 HA BLYS A 79 -1.616 -35.270 29.852 0.56 10.22 H new ATOM 0 HB2ALYS A 79 -2.521 -37.588 31.264 0.44 11.54 H new ATOM 0 HB2BLYS A 79 -3.183 -36.065 31.441 0.56 11.54 H new ATOM 0 HB3ALYS A 79 -1.491 -36.590 31.877 0.44 11.54 H new ATOM 0 HB3BLYS A 79 -2.626 -37.512 31.267 0.56 11.54 H new ATOM 0 HG2ALYS A 79 -3.172 -34.944 31.947 0.44 14.12 H new ATOM 0 HG2BLYS A 79 -0.546 -36.709 32.081 0.56 14.12 H new ATOM 0 HG3ALYS A 79 -4.194 -35.994 31.410 0.44 14.12 H new ATOM 0 HG3BLYS A 79 -1.267 -35.371 32.429 0.56 14.12 H new ATOM 0 HD2ALYS A 79 -4.268 -37.107 33.351 0.44 20.03 H new ATOM 0 HD2BLYS A 79 -2.187 -37.803 33.534 0.56 20.03 H new ATOM 0 HD3ALYS A 79 -2.791 -36.762 33.712 0.44 20.03 H new ATOM 0 HD3BLYS A 79 -1.057 -37.000 34.248 0.56 20.03 H new ATOM 0 HE2ALYS A 79 -4.470 -34.579 33.625 0.44 15.85 H new ATOM 0 HE2BLYS A 79 -3.612 -35.913 33.783 0.56 15.85 H new ATOM 0 HE3ALYS A 79 -4.785 -35.574 34.784 0.44 15.85 H new ATOM 0 HE3BLYS A 79 -3.224 -36.588 35.134 0.56 15.85 H new ATOM 0 HZ1ALYS A 79 -3.349 -34.194 35.641 0.44 20.95 H new ATOM 0 HZ1BLYS A 79 -2.681 -34.583 35.689 0.56 20.95 H new ATOM 0 HZ2ALYS A 79 -2.506 -35.335 35.329 0.44 20.95 H new ATOM 0 HZ2BLYS A 79 -1.445 -34.810 34.959 0.56 20.95 H new ATOM 0 HZ3ALYS A 79 -2.498 -34.168 34.463 0.44 20.95 H new ATOM 0 HZ3BLYS A 79 -2.549 -34.115 34.320 0.56 20.95 H new ATOM 669 N VAL A 80 0.530 -36.434 29.635 1.00 10.22 N ATOM 670 CA VAL A 80 1.801 -37.192 29.557 1.00 11.16 C ATOM 671 C VAL A 80 2.385 -37.300 30.955 1.00 12.11 C ATOM 672 O VAL A 80 2.708 -36.273 31.576 1.00 12.74 O ATOM 673 CB VAL A 80 2.807 -36.530 28.630 1.00 12.91 C ATOM 674 CG1 VAL A 80 4.087 -37.345 28.579 1.00 15.28 C ATOM 675 CG2 VAL A 80 2.258 -36.430 27.265 1.00 15.29 C ATOM 0 H VAL A 80 0.626 -35.586 29.743 1.00 10.22 H new ATOM 0 HA VAL A 80 1.612 -38.071 29.193 1.00 11.16 H new ATOM 0 HB VAL A 80 2.995 -35.642 28.973 1.00 12.91 H new ATOM 0 HG11 VAL A 80 4.722 -36.914 27.985 1.00 15.28 H new ATOM 0 HG12 VAL A 80 4.468 -37.406 29.469 1.00 15.28 H new ATOM 0 HG13 VAL A 80 3.891 -38.236 28.250 1.00 15.28 H new ATOM 0 HG21 VAL A 80 2.909 -36.006 26.684 1.00 15.29 H new ATOM 0 HG22 VAL A 80 2.057 -37.318 26.931 1.00 15.29 H new ATOM 0 HG23 VAL A 80 1.446 -35.900 27.281 1.00 15.29 H new ATOM 676 N GLY A 81 2.532 -38.517 31.454 1.00 14.21 N ATOM 677 CA GLY A 81 3.042 -38.696 32.812 1.00 16.45 C ATOM 678 C GLY A 81 2.217 -37.919 33.805 1.00 18.84 C ATOM 679 O GLY A 81 0.996 -37.859 33.704 1.00 21.43 O ATOM 0 H GLY A 81 2.347 -39.244 31.034 1.00 14.21 H new ATOM 0 HA2 GLY A 81 3.031 -39.638 33.044 1.00 16.45 H new ATOM 0 HA3 GLY A 81 3.966 -38.404 32.855 1.00 16.45 H new ATOM 680 N LYS A 82 2.905 -37.320 34.766 1.00 19.98 N ATOM 681 CA LYS A 82 2.324 -36.375 35.722 1.00 22.89 C ATOM 682 C LYS A 82 2.645 -34.915 35.361 1.00 22.44 C ATOM 683 O LYS A 82 2.277 -33.976 36.104 1.00 25.68 O ATOM 684 CB LYS A 82 2.907 -36.683 37.114 1.00 24.14 C ATOM 685 CG LYS A 82 2.574 -38.068 37.664 1.00 30.08 C ATOM 686 CD LYS A 82 3.420 -38.388 38.897 1.00 37.19 C ATOM 687 CE LYS A 82 4.745 -39.060 38.523 1.00 39.93 C ATOM 688 NZ LYS A 82 4.542 -40.482 38.098 1.00 42.66 N ATOM 0 H LYS A 82 3.746 -37.452 34.887 1.00 19.98 H new ATOM 0 HA LYS A 82 1.360 -36.477 35.706 1.00 22.89 H new ATOM 0 HB2 LYS A 82 3.872 -36.590 37.073 1.00 24.14 H new ATOM 0 HB3 LYS A 82 2.584 -36.016 37.739 1.00 24.14 H new ATOM 0 HG2 LYS A 82 1.633 -38.110 37.894 1.00 30.08 H new ATOM 0 HG3 LYS A 82 2.729 -38.737 36.979 1.00 30.08 H new ATOM 0 HD2 LYS A 82 3.600 -37.570 39.387 1.00 37.19 H new ATOM 0 HD3 LYS A 82 2.919 -38.969 39.490 1.00 37.19 H new ATOM 0 HE2 LYS A 82 5.169 -38.564 37.805 1.00 39.93 H new ATOM 0 HE3 LYS A 82 5.349 -39.031 39.282 1.00 39.93 H new ATOM 0 HZ1 LYS A 82 5.332 -40.883 38.014 1.00 42.66 H new ATOM 0 HZ2 LYS A 82 4.057 -40.909 38.710 1.00 42.66 H new ATOM 0 HZ3 LYS A 82 4.116 -40.501 37.317 1.00 42.66 H new ATOM 689 N GLY A 83 3.351 -34.687 34.259 1.00 19.99 N ATOM 690 CA GLY A 83 3.986 -33.372 34.017 1.00 19.46 C ATOM 691 C GLY A 83 3.315 -32.532 32.929 1.00 17.15 C ATOM 692 O GLY A 83 3.710 -31.384 32.698 1.00 18.56 O ATOM 0 H GLY A 83 3.480 -35.268 33.638 1.00 19.99 H new ATOM 0 HA2 GLY A 83 3.984 -32.868 34.846 1.00 19.46 H new ATOM 0 HA3 GLY A 83 4.914 -33.514 33.773 1.00 19.46 H new ATOM 693 N LEU A 84 2.328 -33.088 32.227 1.00 13.96 N ATOM 694 CA LEU A 84 1.886 -32.356 31.045 1.00 11.91 C ATOM 695 C LEU A 84 0.450 -32.650 30.717 1.00 10.23 C ATOM 696 O LEU A 84 0.084 -33.814 30.566 1.00 12.21 O ATOM 697 CB LEU A 84 2.766 -32.792 29.875 1.00 13.70 C ATOM 698 CG LEU A 84 2.534 -32.033 28.576 1.00 15.21 C ATOM 699 CD1 LEU A 84 3.158 -30.641 28.580 1.00 17.95 C ATOM 700 CD2 LEU A 84 3.053 -32.854 27.349 1.00 19.74 C ATOM 0 H LEU A 84 1.928 -33.830 32.399 1.00 13.96 H new ATOM 0 HA LEU A 84 1.961 -31.404 31.214 1.00 11.91 H new ATOM 0 HB2 LEU A 84 3.696 -32.690 30.132 1.00 13.70 H new ATOM 0 HB3 LEU A 84 2.619 -33.737 29.712 1.00 13.70 H new ATOM 0 HG LEU A 84 1.574 -31.914 28.499 1.00 15.21 H new ATOM 0 HD11 LEU A 84 2.981 -30.204 27.732 1.00 17.95 H new ATOM 0 HD12 LEU A 84 2.775 -30.116 29.300 1.00 17.95 H new ATOM 0 HD13 LEU A 84 4.116 -30.716 28.710 1.00 17.95 H new ATOM 0 HD21 LEU A 84 2.895 -32.353 26.534 1.00 19.74 H new ATOM 0 HD22 LEU A 84 4.004 -33.018 27.448 1.00 19.74 H new ATOM 0 HD23 LEU A 84 2.582 -33.701 27.303 1.00 19.74 H new ATOM 701 N ASP A 85 -0.419 -31.661 30.694 1.00 8.54 N ATOM 702 CA ASP A 85 -1.868 -31.759 30.401 1.00 9.52 C ATOM 703 C ASP A 85 -2.158 -31.023 29.102 1.00 8.66 C ATOM 704 O ASP A 85 -1.592 -29.931 28.889 1.00 8.83 O ATOM 705 CB ASP A 85 -2.678 -31.069 31.515 1.00 10.96 C ATOM 706 CG ASP A 85 -2.599 -31.751 32.851 1.00 13.74 C ATOM 707 OD1 ASP A 85 -2.064 -32.886 32.953 1.00 14.81 O ATOM 708 OD2 ASP A 85 -3.067 -31.176 33.849 1.00 15.40 O ATOM 0 H ASP A 85 -0.179 -30.852 30.858 1.00 8.54 H new ATOM 0 HA ASP A 85 -2.113 -32.695 30.338 1.00 9.52 H new ATOM 0 HB2 ASP A 85 -2.364 -30.156 31.611 1.00 10.96 H new ATOM 0 HB3 ASP A 85 -3.608 -31.022 31.242 1.00 10.96 H new ATOM 709 N ILE A 86 -3.071 -31.561 28.328 1.00 8.42 N ATOM 710 CA ILE A 86 -3.421 -30.990 27.060 1.00 8.19 C ATOM 711 C ILE A 86 -4.927 -31.028 26.861 1.00 7.23 C ATOM 712 O ILE A 86 -5.599 -32.024 27.190 1.00 7.82 O ATOM 713 CB ILE A 86 -2.734 -31.807 25.902 1.00 8.66 C ATOM 714 CG1 ILE A 86 -1.217 -31.747 26.013 1.00 10.71 C ATOM 715 CG2 ILE A 86 -3.201 -31.266 24.518 1.00 10.77 C ATOM 716 CD1 ILE A 86 -0.487 -32.904 25.330 1.00 14.33 C ATOM 0 H ILE A 86 -3.508 -32.274 28.528 1.00 8.42 H new ATOM 0 HA ILE A 86 -3.117 -30.069 27.042 1.00 8.19 H new ATOM 0 HB ILE A 86 -3.001 -32.736 25.984 1.00 8.66 H new ATOM 0 HG12 ILE A 86 -0.908 -30.912 25.628 1.00 10.71 H new ATOM 0 HG13 ILE A 86 -0.973 -31.734 26.952 1.00 10.71 H new ATOM 0 HG21 ILE A 86 -2.774 -31.774 23.811 1.00 10.77 H new ATOM 0 HG22 ILE A 86 -4.164 -31.356 24.443 1.00 10.77 H new ATOM 0 HG23 ILE A 86 -2.957 -30.331 24.437 1.00 10.77 H new ATOM 0 HD11 ILE A 86 0.470 -32.795 25.444 1.00 14.33 H new ATOM 0 HD12 ILE A 86 -0.766 -33.743 25.728 1.00 14.33 H new ATOM 0 HD13 ILE A 86 -0.701 -32.908 24.384 1.00 14.33 H new ATOM 717 N LEU A 87 -5.455 -29.949 26.302 1.00 7.10 N ATOM 718 CA LEU A 87 -6.805 -29.946 25.755 1.00 7.89 C ATOM 719 C LEU A 87 -6.713 -29.532 24.302 1.00 6.75 C ATOM 720 O LEU A 87 -6.064 -28.535 23.995 1.00 7.59 O ATOM 721 CB LEU A 87 -7.747 -28.974 26.494 1.00 8.44 C ATOM 722 CG LEU A 87 -9.175 -28.880 25.951 1.00 8.63 C ATOM 723 CD1 LEU A 87 -10.098 -28.546 27.119 1.00 9.96 C ATOM 724 CD2 LEU A 87 -9.271 -27.821 24.830 1.00 10.03 C ATOM 0 H LEU A 87 -5.042 -29.198 26.228 1.00 7.10 H new ATOM 0 HA LEU A 87 -7.177 -30.836 25.859 1.00 7.89 H new ATOM 0 HB2 LEU A 87 -7.791 -29.240 27.426 1.00 8.44 H new ATOM 0 HB3 LEU A 87 -7.352 -28.088 26.470 1.00 8.44 H new ATOM 0 HG LEU A 87 -9.441 -29.725 25.555 1.00 8.63 H new ATOM 0 HD11 LEU A 87 -11.012 -28.481 26.801 1.00 9.96 H new ATOM 0 HD12 LEU A 87 -10.038 -29.245 27.789 1.00 9.96 H new ATOM 0 HD13 LEU A 87 -9.831 -27.700 27.511 1.00 9.96 H new ATOM 0 HD21 LEU A 87 -10.183 -27.779 24.502 1.00 10.03 H new ATOM 0 HD22 LEU A 87 -9.014 -26.954 25.181 1.00 10.03 H new ATOM 0 HD23 LEU A 87 -8.677 -28.064 24.103 1.00 10.03 H new ATOM 725 N GLN A 88 -7.376 -30.262 23.412 1.00 7.29 N ATOM 726 CA AGLN A 88 -7.474 -29.920 22.011 0.50 7.12 C ATOM 727 CA BGLN A 88 -7.470 -29.906 22.013 0.50 7.00 C ATOM 728 C GLN A 88 -8.927 -29.949 21.599 1.00 6.91 C ATOM 729 O GLN A 88 -9.667 -30.874 21.974 1.00 7.76 O ATOM 730 CB AGLN A 88 -6.697 -30.958 21.189 0.50 8.75 C ATOM 731 CB BGLN A 88 -6.617 -30.874 21.158 0.50 8.40 C ATOM 732 CG AGLN A 88 -6.762 -30.782 19.692 0.50 11.15 C ATOM 733 CG BGLN A 88 -6.459 -30.457 19.689 0.50 10.77 C ATOM 734 CD AGLN A 88 -6.224 -31.983 19.009 0.50 13.54 C ATOM 735 CD BGLN A 88 -7.341 -31.265 18.789 0.50 13.30 C ATOM 736 OE1AGLN A 88 -6.850 -33.128 19.245 0.50 17.56 O flip ATOM 737 OE1BGLN A 88 -8.034 -32.235 19.370 0.50 17.54 O flip ATOM 738 NE2AGLN A 88 -5.237 -31.899 18.296 0.50 14.22 N flip ATOM 739 NE2BGLN A 88 -7.360 -31.067 17.570 0.50 14.79 N flip ATOM 0 H AGLN A 88 -7.790 -30.987 23.617 0.50 7.29 H new ATOM 0 H BGLN A 88 -7.789 -30.989 23.613 0.50 7.29 H new ATOM 0 HA AGLN A 88 -7.106 -29.036 21.858 0.50 7.00 H new ATOM 0 HA BGLN A 88 -7.126 -29.010 21.872 0.50 7.00 H new ATOM 0 HB2AGLN A 88 -5.766 -30.933 21.462 0.50 8.40 H new ATOM 0 HB2BGLN A 88 -5.736 -30.949 21.557 0.50 8.40 H new ATOM 0 HB3AGLN A 88 -7.034 -31.840 21.410 0.50 8.40 H new ATOM 0 HB3BGLN A 88 -7.019 -31.756 21.190 0.50 8.40 H new ATOM 0 HG2AGLN A 88 -7.680 -30.630 19.417 0.50 10.77 H new ATOM 0 HG2BGLN A 88 -6.674 -29.516 19.594 0.50 10.77 H new ATOM 0 HG3AGLN A 88 -6.254 -29.998 19.430 0.50 10.77 H new ATOM 0 HG3BGLN A 88 -5.534 -30.565 19.419 0.50 10.77 H new ATOM 0 HE21AGLN A 88 -4.862 -31.136 18.170 0.50 14.79 H new ATOM 0 HE21BGLN A 88 -6.896 -30.427 17.231 0.50 14.79 H new ATOM 0 HE22AGLN A 88 -4.917 -32.603 17.920 0.50 14.79 H new ATOM 0 HE22BGLN A 88 -7.837 -31.569 17.060 0.50 14.79 H new ATOM 740 N CYS A 89 -9.337 -28.980 20.800 1.00 6.92 N ATOM 741 CA CYS A 89 -10.686 -29.011 20.274 1.00 7.91 C ATOM 742 C CYS A 89 -10.693 -28.431 18.871 1.00 7.04 C ATOM 743 O CYS A 89 -10.079 -27.390 18.660 1.00 7.72 O ATOM 744 CB CYS A 89 -11.606 -28.207 21.192 1.00 8.44 C ATOM 745 SG CYS A 89 -13.315 -28.067 20.616 1.00 9.81 S ATOM 0 H CYS A 89 -8.860 -28.308 20.554 1.00 6.92 H new ATOM 0 HA CYS A 89 -11.006 -29.926 20.235 1.00 7.91 H new ATOM 0 HB2 CYS A 89 -11.606 -28.619 22.070 1.00 8.44 H new ATOM 0 HB3 CYS A 89 -11.239 -27.315 21.297 1.00 8.44 H new ATOM 0 HG CYS A 89 -13.681 -29.126 20.188 1.00 9.81 H new ATOM 746 N VAL A 90 -11.363 -29.104 17.924 1.00 7.37 N ATOM 747 CA VAL A 90 -11.629 -28.507 16.635 1.00 8.01 C ATOM 748 C VAL A 90 -13.044 -28.840 16.265 1.00 7.79 C ATOM 749 O VAL A 90 -13.524 -29.994 16.454 1.00 8.25 O ATOM 750 CB VAL A 90 -10.703 -29.042 15.512 1.00 8.75 C ATOM 751 CG1 VAL A 90 -10.993 -28.353 14.200 1.00 10.30 C ATOM 752 CG2 VAL A 90 -9.264 -28.817 15.890 1.00 12.55 C ATOM 0 H VAL A 90 -11.666 -29.903 18.020 1.00 7.37 H new ATOM 0 HA VAL A 90 -11.471 -27.553 16.712 1.00 8.01 H new ATOM 0 HB VAL A 90 -10.870 -29.992 15.406 1.00 8.75 H new ATOM 0 HG11 VAL A 90 -10.403 -28.702 13.514 1.00 10.30 H new ATOM 0 HG12 VAL A 90 -11.915 -28.514 13.946 1.00 10.30 H new ATOM 0 HG13 VAL A 90 -10.847 -27.399 14.296 1.00 10.30 H new ATOM 0 HG21 VAL A 90 -8.688 -29.153 15.186 1.00 12.55 H new ATOM 0 HG22 VAL A 90 -9.106 -27.868 16.012 1.00 12.55 H new ATOM 0 HG23 VAL A 90 -9.069 -29.285 16.717 1.00 12.55 H new ATOM 753 N MET A 91 -13.767 -27.833 15.779 1.00 8.12 N ATOM 754 CA MET A 91 -15.064 -28.042 15.113 1.00 8.35 C ATOM 755 C MET A 91 -14.835 -27.901 13.615 1.00 9.01 C ATOM 756 O MET A 91 -14.548 -26.808 13.122 1.00 9.31 O ATOM 757 CB MET A 91 -16.116 -27.052 15.605 1.00 7.54 C ATOM 758 CG MET A 91 -16.375 -27.163 17.121 1.00 8.60 C ATOM 759 SD MET A 91 -17.368 -25.820 17.773 1.00 9.18 S ATOM 760 CE MET A 91 -19.002 -26.178 17.075 1.00 10.86 C ATOM 0 H MET A 91 -13.525 -27.009 15.823 1.00 8.12 H new ATOM 0 HA MET A 91 -15.406 -28.925 15.323 1.00 8.35 H new ATOM 0 HB2 MET A 91 -15.829 -26.150 15.395 1.00 7.54 H new ATOM 0 HB3 MET A 91 -16.946 -27.204 15.127 1.00 7.54 H new ATOM 0 HG2 MET A 91 -16.820 -28.005 17.306 1.00 8.60 H new ATOM 0 HG3 MET A 91 -15.525 -27.184 17.587 1.00 8.60 H new ATOM 0 HE1 MET A 91 -19.364 -25.375 16.669 1.00 10.86 H new ATOM 0 HE2 MET A 91 -18.922 -26.872 16.402 1.00 10.86 H new ATOM 0 HE3 MET A 91 -19.596 -26.480 17.780 1.00 10.86 H new ATOM 761 N PHE A 92 -14.918 -29.004 12.890 1.00 10.30 N ATOM 762 CA PHE A 92 -14.724 -28.995 11.451 1.00 10.79 C ATOM 763 C PHE A 92 -16.069 -28.735 10.831 1.00 11.65 C ATOM 764 O PHE A 92 -17.035 -29.489 11.065 1.00 13.48 O ATOM 765 CB PHE A 92 -14.158 -30.341 10.968 1.00 11.14 C ATOM 766 CG PHE A 92 -12.777 -30.673 11.493 1.00 9.78 C ATOM 767 CD1 PHE A 92 -12.601 -31.359 12.668 1.00 11.17 C ATOM 768 CD2 PHE A 92 -11.640 -30.237 10.815 1.00 12.77 C ATOM 769 CE1 PHE A 92 -11.291 -31.696 13.139 1.00 12.29 C ATOM 770 CE2 PHE A 92 -10.357 -30.566 11.292 1.00 12.37 C ATOM 771 CZ PHE A 92 -10.199 -31.288 12.446 1.00 14.23 C ATOM 0 H PHE A 92 -15.089 -29.780 13.218 1.00 10.30 H new ATOM 0 HA PHE A 92 -14.086 -28.310 11.195 1.00 10.79 H new ATOM 0 HB2 PHE A 92 -14.769 -31.047 11.231 1.00 11.14 H new ATOM 0 HB3 PHE A 92 -14.129 -30.337 9.998 1.00 11.14 H new ATOM 0 HD1 PHE A 92 -13.345 -31.609 13.167 1.00 11.17 H new ATOM 0 HD2 PHE A 92 -11.729 -29.726 10.043 1.00 12.77 H new ATOM 0 HE1 PHE A 92 -11.190 -32.193 13.918 1.00 12.29 H new ATOM 0 HE2 PHE A 92 -9.606 -30.290 10.817 1.00 12.37 H new ATOM 0 HZ PHE A 92 -9.346 -31.497 12.753 1.00 14.23 H new ATOM 772 N PRO A 93 -16.172 -27.663 10.045 1.00 12.61 N ATOM 773 CA PRO A 93 -17.448 -27.287 9.505 1.00 12.90 C ATOM 774 C PRO A 93 -17.849 -28.190 8.299 1.00 13.42 C ATOM 775 O PRO A 93 -16.995 -28.784 7.646 1.00 13.95 O ATOM 776 CB PRO A 93 -17.172 -25.831 9.034 1.00 14.17 C ATOM 777 CG PRO A 93 -15.726 -25.807 8.654 1.00 14.96 C ATOM 778 CD PRO A 93 -15.101 -26.692 9.719 1.00 13.25 C ATOM 0 HA PRO A 93 -18.179 -27.373 10.137 1.00 12.90 H new ATOM 0 HB2 PRO A 93 -17.736 -25.594 8.281 1.00 14.17 H new ATOM 0 HB3 PRO A 93 -17.359 -25.193 9.740 1.00 14.17 H new ATOM 0 HG2 PRO A 93 -15.580 -26.156 7.761 1.00 14.96 H new ATOM 0 HG3 PRO A 93 -15.362 -24.908 8.670 1.00 14.96 H new ATOM 0 HD2 PRO A 93 -14.305 -27.137 9.389 1.00 13.25 H new ATOM 0 HD3 PRO A 93 -14.837 -26.179 10.498 1.00 13.25 H new ATOM 779 N GLU A 94 -19.154 -28.347 8.105 1.00 13.77 N ATOM 780 CA GLU A 94 -19.647 -28.900 6.821 1.00 14.74 C ATOM 781 C GLU A 94 -19.465 -27.799 5.783 1.00 14.74 C ATOM 782 O GLU A 94 -20.044 -26.721 5.907 1.00 15.61 O ATOM 783 CB GLU A 94 -21.116 -29.290 6.925 1.00 15.64 C ATOM 784 CG GLU A 94 -21.311 -30.602 7.652 1.00 18.06 C ATOM 785 CD GLU A 94 -20.889 -31.842 6.856 1.00 20.63 C ATOM 786 OE1 GLU A 94 -20.964 -32.920 7.460 1.00 19.86 O ATOM 787 OE2 GLU A 94 -20.452 -31.744 5.680 1.00 24.38 O ATOM 0 H GLU A 94 -19.764 -28.150 8.678 1.00 13.77 H new ATOM 0 HA GLU A 94 -19.158 -29.702 6.579 1.00 14.74 H new ATOM 0 HB2 GLU A 94 -21.602 -28.590 7.389 1.00 15.64 H new ATOM 0 HB3 GLU A 94 -21.495 -29.357 6.034 1.00 15.64 H new ATOM 0 HG2 GLU A 94 -20.807 -30.577 8.480 1.00 18.06 H new ATOM 0 HG3 GLU A 94 -22.247 -30.689 7.892 1.00 18.06 H new ATOM 788 N PRO A 95 -18.681 -28.087 4.715 1.00 14.99 N ATOM 789 CA PRO A 95 -18.382 -26.988 3.796 1.00 16.63 C ATOM 790 C PRO A 95 -19.599 -26.341 3.176 1.00 17.80 C ATOM 791 O PRO A 95 -19.583 -25.172 2.856 1.00 17.31 O ATOM 792 CB PRO A 95 -17.538 -27.681 2.726 1.00 17.14 C ATOM 793 CG PRO A 95 -16.814 -28.812 3.471 1.00 17.02 C ATOM 794 CD PRO A 95 -17.863 -29.288 4.490 1.00 15.34 C ATOM 0 HA PRO A 95 -17.948 -26.251 4.254 1.00 16.63 H new ATOM 0 HB2 PRO A 95 -18.093 -28.029 2.011 1.00 17.14 H new ATOM 0 HB3 PRO A 95 -16.907 -27.065 2.322 1.00 17.14 H new ATOM 0 HG2 PRO A 95 -16.549 -29.525 2.869 1.00 17.02 H new ATOM 0 HG3 PRO A 95 -16.008 -28.495 3.908 1.00 17.02 H new ATOM 0 HD2 PRO A 95 -18.393 -30.023 4.143 1.00 15.34 H new ATOM 0 HD3 PRO A 95 -17.450 -29.599 5.311 1.00 15.34 H new ATOM 795 N LEU A 96 -20.674 -27.136 3.052 1.00 18.92 N ATOM 796 CA LEU A 96 -21.923 -26.668 2.459 1.00 20.69 C ATOM 797 C LEU A 96 -22.411 -25.373 3.133 1.00 20.18 C ATOM 798 O LEU A 96 -23.043 -24.513 2.532 1.00 21.95 O ATOM 799 CB LEU A 96 -22.950 -27.801 2.614 1.00 22.83 C ATOM 800 CG LEU A 96 -24.388 -27.568 2.187 1.00 24.17 C ATOM 801 CD1 LEU A 96 -24.440 -27.496 0.663 1.00 25.83 C ATOM 802 CD2 LEU A 96 -25.294 -28.701 2.697 1.00 27.54 C ATOM 0 H LEU A 96 -20.693 -27.956 3.310 1.00 18.92 H new ATOM 0 HA LEU A 96 -21.795 -26.453 1.522 1.00 20.69 H new ATOM 0 HB2 LEU A 96 -22.619 -28.564 2.116 1.00 22.83 H new ATOM 0 HB3 LEU A 96 -22.962 -28.057 3.550 1.00 22.83 H new ATOM 0 HG LEU A 96 -24.708 -26.735 2.568 1.00 24.17 H new ATOM 0 HD11 LEU A 96 -25.355 -27.347 0.377 1.00 25.83 H new ATOM 0 HD12 LEU A 96 -23.882 -26.765 0.354 1.00 25.83 H new ATOM 0 HD13 LEU A 96 -24.116 -28.330 0.288 1.00 25.83 H new ATOM 0 HD21 LEU A 96 -26.208 -28.536 2.416 1.00 27.54 H new ATOM 0 HD22 LEU A 96 -24.991 -29.547 2.332 1.00 27.54 H new ATOM 0 HD23 LEU A 96 -25.256 -28.735 3.666 1.00 27.54 H new ATOM 803 N TYR A 97 -22.066 -25.184 4.423 1.00 18.31 N ATOM 804 CA TYR A 97 -22.526 -23.978 5.134 1.00 18.66 C ATOM 805 C TYR A 97 -21.511 -22.818 5.275 1.00 18.68 C ATOM 806 O TYR A 97 -21.819 -21.714 5.742 1.00 19.96 O ATOM 807 CB TYR A 97 -23.082 -24.340 6.541 1.00 19.61 C ATOM 808 CG TYR A 97 -24.327 -25.216 6.478 1.00 18.04 C ATOM 809 CD1 TYR A 97 -25.589 -24.647 6.276 1.00 21.80 C ATOM 810 CD2 TYR A 97 -24.251 -26.591 6.628 1.00 22.84 C ATOM 811 CE1 TYR A 97 -26.729 -25.422 6.217 1.00 22.06 C ATOM 812 CE2 TYR A 97 -25.391 -27.394 6.564 1.00 24.75 C ATOM 813 CZ TYR A 97 -26.643 -26.794 6.365 1.00 23.85 C ATOM 814 OH TYR A 97 -27.785 -27.585 6.306 1.00 27.87 O ATOM 0 H TYR A 97 -21.583 -25.723 4.888 1.00 18.31 H new ATOM 0 HA TYR A 97 -23.221 -23.635 4.550 1.00 18.66 H new ATOM 0 HB2 TYR A 97 -22.394 -24.799 7.047 1.00 19.61 H new ATOM 0 HB3 TYR A 97 -23.290 -23.524 7.021 1.00 19.61 H new ATOM 0 HD1 TYR A 97 -25.661 -23.725 6.179 1.00 21.80 H new ATOM 0 HD2 TYR A 97 -23.423 -26.988 6.774 1.00 22.84 H new ATOM 0 HE1 TYR A 97 -27.556 -25.021 6.077 1.00 22.06 H new ATOM 0 HE2 TYR A 97 -25.321 -28.317 6.652 1.00 24.75 H new ATOM 0 HH TYR A 97 -27.606 -28.357 6.584 1.00 27.87 H new ATOM 815 N GLY A 98 -20.270 -23.077 4.861 1.00 17.89 N ATOM 816 CA GLY A 98 -19.292 -21.984 4.801 1.00 18.45 C ATOM 817 C GLY A 98 -18.834 -21.364 6.135 1.00 15.05 C ATOM 818 O GLY A 98 -18.378 -20.234 6.171 1.00 16.51 O ATOM 0 H GLY A 98 -19.979 -23.849 4.618 1.00 17.89 H new ATOM 0 HA2 GLY A 98 -18.505 -22.312 4.338 1.00 18.45 H new ATOM 0 HA3 GLY A 98 -19.668 -21.276 4.255 1.00 18.45 H new ATOM 819 N LEU A 99 -18.991 -22.147 7.194 1.00 13.76 N ATOM 820 CA LEU A 99 -18.551 -21.656 8.540 1.00 11.86 C ATOM 821 C LEU A 99 -17.044 -21.792 8.717 1.00 11.11 C ATOM 822 O LEU A 99 -16.439 -22.696 8.167 1.00 11.28 O ATOM 823 CB LEU A 99 -19.281 -22.409 9.621 1.00 11.62 C ATOM 824 CG LEU A 99 -20.808 -22.279 9.556 1.00 10.55 C ATOM 825 CD1 LEU A 99 -21.469 -23.216 10.572 1.00 13.85 C ATOM 826 CD2 LEU A 99 -21.259 -20.808 9.755 1.00 12.54 C ATOM 0 H LEU A 99 -19.333 -22.936 7.181 1.00 13.76 H new ATOM 0 HA LEU A 99 -18.768 -20.713 8.606 1.00 11.86 H new ATOM 0 HB2 LEU A 99 -19.044 -23.348 9.564 1.00 11.62 H new ATOM 0 HB3 LEU A 99 -18.976 -22.091 10.485 1.00 11.62 H new ATOM 0 HG LEU A 99 -21.098 -22.547 8.670 1.00 10.55 H new ATOM 0 HD11 LEU A 99 -22.433 -23.123 10.519 1.00 13.85 H new ATOM 0 HD12 LEU A 99 -21.222 -24.133 10.375 1.00 13.85 H new ATOM 0 HD13 LEU A 99 -21.171 -22.986 11.466 1.00 13.85 H new ATOM 0 HD21 LEU A 99 -22.227 -20.757 9.709 1.00 12.54 H new ATOM 0 HD22 LEU A 99 -20.960 -20.492 10.622 1.00 12.54 H new ATOM 0 HD23 LEU A 99 -20.873 -20.254 9.059 1.00 12.54 H new ATOM 827 N PRO A 100 -16.440 -20.933 9.520 1.00 9.71 N ATOM 828 CA PRO A 100 -15.009 -21.091 9.801 1.00 10.32 C ATOM 829 C PRO A 100 -14.740 -22.258 10.739 1.00 9.41 C ATOM 830 O PRO A 100 -15.684 -22.905 11.192 1.00 9.29 O ATOM 831 CB PRO A 100 -14.641 -19.749 10.445 1.00 11.06 C ATOM 832 CG PRO A 100 -15.901 -19.243 11.021 1.00 11.71 C ATOM 833 CD PRO A 100 -17.007 -19.715 10.104 1.00 10.66 C ATOM 0 HA PRO A 100 -14.486 -21.293 9.010 1.00 10.32 H new ATOM 0 HB2 PRO A 100 -13.963 -19.862 11.129 1.00 11.06 H new ATOM 0 HB3 PRO A 100 -14.282 -19.131 9.789 1.00 11.06 H new ATOM 0 HG2 PRO A 100 -16.030 -19.581 11.921 1.00 11.71 H new ATOM 0 HG3 PRO A 100 -15.890 -18.275 11.080 1.00 11.71 H new ATOM 0 HD2 PRO A 100 -17.826 -19.896 10.591 1.00 10.66 H new ATOM 0 HD3 PRO A 100 -17.220 -19.055 9.426 1.00 10.66 H new ATOM 834 N LEU A 101 -13.450 -22.502 11.008 1.00 8.90 N ATOM 835 CA LEU A 101 -13.050 -23.607 11.886 1.00 9.17 C ATOM 836 C LEU A 101 -12.787 -23.094 13.284 1.00 9.28 C ATOM 837 O LEU A 101 -11.743 -22.405 13.547 1.00 11.00 O ATOM 838 CB LEU A 101 -11.738 -24.199 11.375 1.00 9.55 C ATOM 839 CG LEU A 101 -11.845 -24.939 10.060 1.00 10.07 C ATOM 840 CD1 LEU A 101 -10.842 -24.470 9.015 1.00 13.86 C ATOM 841 CD2 LEU A 101 -11.612 -26.473 10.361 1.00 14.58 C ATOM 0 H LEU A 101 -12.796 -22.041 10.693 1.00 8.90 H new ATOM 0 HA LEU A 101 -13.761 -24.267 11.894 1.00 9.17 H new ATOM 0 HB2 LEU A 101 -11.091 -23.483 11.277 1.00 9.55 H new ATOM 0 HB3 LEU A 101 -11.389 -24.806 12.046 1.00 9.55 H new ATOM 0 HG LEU A 101 -12.723 -24.765 9.686 1.00 10.07 H new ATOM 0 HD11 LEU A 101 -10.962 -24.981 8.199 1.00 13.86 H new ATOM 0 HD12 LEU A 101 -10.984 -23.528 8.830 1.00 13.86 H new ATOM 0 HD13 LEU A 101 -9.941 -24.602 9.349 1.00 13.86 H new ATOM 0 HD21 LEU A 101 -11.674 -26.978 9.535 1.00 14.58 H new ATOM 0 HD22 LEU A 101 -10.732 -26.597 10.750 1.00 14.58 H new ATOM 0 HD23 LEU A 101 -12.287 -26.787 10.983 1.00 14.58 H new ATOM 842 N PHE A 102 -13.576 -23.483 14.243 1.00 8.16 N ATOM 843 CA PHE A 102 -13.253 -23.196 15.626 1.00 8.06 C ATOM 844 C PHE A 102 -12.124 -24.150 16.057 1.00 7.28 C ATOM 845 O PHE A 102 -12.243 -25.354 15.835 1.00 7.16 O ATOM 846 CB PHE A 102 -14.453 -23.399 16.542 1.00 8.69 C ATOM 847 CG PHE A 102 -14.062 -23.302 18.009 1.00 7.79 C ATOM 848 CD1 PHE A 102 -13.772 -24.462 18.759 1.00 8.24 C ATOM 849 CD2 PHE A 102 -13.877 -22.061 18.600 1.00 9.07 C ATOM 850 CE1 PHE A 102 -13.358 -24.407 20.079 1.00 8.97 C ATOM 851 CE2 PHE A 102 -13.462 -21.942 19.921 1.00 9.71 C ATOM 852 CZ PHE A 102 -13.171 -23.101 20.681 1.00 9.59 C ATOM 0 H PHE A 102 -14.309 -23.917 14.125 1.00 8.16 H new ATOM 0 HA PHE A 102 -12.982 -22.267 15.697 1.00 8.06 H new ATOM 0 HB2 PHE A 102 -15.130 -22.733 16.342 1.00 8.69 H new ATOM 0 HB3 PHE A 102 -14.850 -24.267 16.369 1.00 8.69 H new ATOM 0 HD1 PHE A 102 -13.862 -25.293 18.352 1.00 8.24 H new ATOM 0 HD2 PHE A 102 -14.034 -21.292 18.101 1.00 9.07 H new ATOM 0 HE1 PHE A 102 -13.204 -25.185 20.565 1.00 8.97 H new ATOM 0 HE2 PHE A 102 -13.375 -21.100 20.306 1.00 9.71 H new ATOM 0 HZ PHE A 102 -12.864 -23.025 21.556 1.00 9.59 H new ATOM 853 N GLY A 103 -11.087 -23.657 16.711 1.00 7.13 N ATOM 854 CA GLY A 103 -10.063 -24.525 17.268 1.00 7.91 C ATOM 855 C GLY A 103 -9.522 -23.942 18.541 1.00 6.79 C ATOM 856 O GLY A 103 -9.429 -22.713 18.672 1.00 8.34 O ATOM 0 H GLY A 103 -10.956 -22.818 16.845 1.00 7.13 H new ATOM 0 HA2 GLY A 103 -10.434 -25.405 17.440 1.00 7.91 H new ATOM 0 HA3 GLY A 103 -9.344 -24.641 16.627 1.00 7.91 H new ATOM 857 N CYS A 104 -9.067 -24.807 19.429 1.00 7.30 N ATOM 858 CA ACYS A 104 -8.421 -24.396 20.691 0.28 7.47 C ATOM 859 CA BCYS A 104 -8.233 -24.372 20.555 0.72 7.58 C ATOM 860 C CYS A 104 -7.327 -25.457 21.010 1.00 7.45 C ATOM 861 O CYS A 104 -7.558 -26.680 20.772 1.00 8.08 O ATOM 862 CB ACYS A 104 -9.509 -24.192 21.791 0.28 9.51 C ATOM 863 CB BCYS A 104 -9.008 -23.818 21.732 0.72 7.77 C ATOM 864 SG ACYS A 104 -9.061 -23.880 23.537 0.28 7.94 S ATOM 865 SG BCYS A 104 -10.166 -24.946 22.446 0.72 9.74 S ATOM 0 H ACYS A 104 -9.119 -25.659 19.327 0.28 7.30 H new ATOM 0 H BCYS A 104 -9.225 -25.652 19.405 0.72 7.30 H new ATOM 0 HA ACYS A 104 -7.973 -23.537 20.634 0.28 7.58 H new ATOM 0 HA BCYS A 104 -7.709 -23.635 20.203 0.72 7.58 H new ATOM 0 HB2ACYS A 104 -10.062 -23.448 21.505 0.28 7.77 H new ATOM 0 HB2BCYS A 104 -8.379 -23.541 22.417 0.72 7.77 H new ATOM 0 HB3ACYS A 104 -10.070 -24.983 21.782 0.28 7.77 H new ATOM 0 HB3BCYS A 104 -9.484 -23.023 21.446 0.72 7.77 H new ATOM 0 HG ACYS A 104 -9.662 -22.922 23.940 0.28 9.74 H new ATOM 0 HG BCYS A 104 -10.725 -24.417 23.367 0.72 9.74 H new ATOM 866 N ASP A 105 -6.227 -25.053 21.607 1.00 8.07 N ATOM 867 CA ASP A 105 -5.214 -25.949 22.116 1.00 7.94 C ATOM 868 C ASP A 105 -4.668 -25.378 23.380 1.00 7.10 C ATOM 869 O ASP A 105 -4.263 -24.192 23.354 1.00 8.51 O ATOM 870 CB ASP A 105 -4.092 -26.136 21.068 1.00 9.97 C ATOM 871 CG ASP A 105 -3.466 -27.437 21.128 1.00 7.49 C ATOM 872 OD1 ASP A 105 -2.229 -27.612 21.097 1.00 10.03 O ATOM 873 OD2 ASP A 105 -4.254 -28.435 21.111 1.00 10.93 O ATOM 0 H ASP A 105 -6.042 -24.222 21.732 1.00 8.07 H new ATOM 0 HA ASP A 105 -5.600 -26.821 22.296 1.00 7.94 H new ATOM 0 HB2 ASP A 105 -4.461 -26.002 20.181 1.00 9.97 H new ATOM 0 HB3 ASP A 105 -3.417 -25.452 21.201 1.00 9.97 H new ATOM 874 N ILE A 106 -4.621 -26.138 24.468 1.00 7.12 N ATOM 875 CA ILE A 106 -4.093 -25.674 25.747 1.00 6.82 C ATOM 876 C ILE A 106 -3.069 -26.679 26.214 1.00 7.43 C ATOM 877 O ILE A 106 -3.375 -27.885 26.218 1.00 8.14 O ATOM 878 CB ILE A 106 -5.179 -25.556 26.831 1.00 9.84 C ATOM 879 CG1 ILE A 106 -6.434 -24.877 26.318 1.00 11.06 C ATOM 880 CG2 ILE A 106 -4.590 -24.885 28.051 1.00 10.18 C ATOM 881 CD1 ILE A 106 -6.282 -23.434 26.077 1.00 13.04 C ATOM 0 H ILE A 106 -4.899 -26.951 24.485 1.00 7.12 H new ATOM 0 HA ILE A 106 -3.715 -24.791 25.613 1.00 6.82 H new ATOM 0 HB ILE A 106 -5.471 -26.445 27.088 1.00 9.84 H new ATOM 0 HG12 ILE A 106 -6.707 -25.306 25.492 1.00 11.06 H new ATOM 0 HG13 ILE A 106 -7.149 -25.014 26.959 1.00 11.06 H new ATOM 0 HG21 ILE A 106 -5.270 -24.808 28.738 1.00 10.18 H new ATOM 0 HG22 ILE A 106 -3.850 -25.415 28.387 1.00 10.18 H new ATOM 0 HG23 ILE A 106 -4.271 -24.001 27.812 1.00 10.18 H new ATOM 0 HD11 ILE A 106 -7.120 -23.070 25.752 1.00 13.04 H new ATOM 0 HD12 ILE A 106 -6.037 -22.992 26.905 1.00 13.04 H new ATOM 0 HD13 ILE A 106 -5.588 -23.288 25.415 1.00 13.04 H new ATOM 882 N VAL A 107 -1.898 -26.240 26.645 1.00 7.30 N ATOM 883 CA VAL A 107 -0.860 -27.126 27.135 1.00 7.71 C ATOM 884 C VAL A 107 -0.422 -26.578 28.482 1.00 7.04 C ATOM 885 O VAL A 107 -0.142 -25.365 28.597 1.00 7.88 O ATOM 886 CB VAL A 107 0.320 -27.184 26.170 1.00 7.17 C ATOM 887 CG1 VAL A 107 1.410 -28.116 26.711 1.00 8.57 C ATOM 888 CG2 VAL A 107 -0.133 -27.656 24.816 1.00 8.87 C ATOM 0 H VAL A 107 -1.682 -25.408 26.661 1.00 7.30 H new ATOM 0 HA VAL A 107 -1.196 -28.032 27.216 1.00 7.71 H new ATOM 0 HB VAL A 107 0.688 -26.290 26.084 1.00 7.17 H new ATOM 0 HG11 VAL A 107 2.152 -28.142 26.087 1.00 8.57 H new ATOM 0 HG12 VAL A 107 1.721 -27.787 27.569 1.00 8.57 H new ATOM 0 HG13 VAL A 107 1.048 -29.009 26.820 1.00 8.57 H new ATOM 0 HG21 VAL A 107 0.626 -27.688 24.213 1.00 8.87 H new ATOM 0 HG22 VAL A 107 -0.520 -28.542 24.895 1.00 8.87 H new ATOM 0 HG23 VAL A 107 -0.798 -27.043 24.465 1.00 8.87 H new ATOM 889 N ALA A 108 -0.363 -27.407 29.513 1.00 8.11 N ATOM 890 CA ALA A 108 -0.005 -26.987 30.858 1.00 9.25 C ATOM 891 C ALA A 108 0.950 -27.978 31.486 1.00 10.12 C ATOM 892 O ALA A 108 0.919 -29.188 31.217 1.00 11.09 O ATOM 893 CB ALA A 108 -1.257 -26.885 31.706 1.00 9.90 C ATOM 0 H ALA A 108 -0.534 -28.247 29.449 1.00 8.11 H new ATOM 0 HA ALA A 108 0.430 -26.122 30.809 1.00 9.25 H new ATOM 0 HB1 ALA A 108 -1.018 -26.605 32.603 1.00 9.90 H new ATOM 0 HB2 ALA A 108 -1.861 -26.235 31.315 1.00 9.90 H new ATOM 0 HB3 ALA A 108 -1.694 -27.750 31.743 1.00 9.90 H new ATOM 894 N GLY A 109 1.843 -27.459 32.331 1.00 11.02 N ATOM 895 CA GLY A 109 2.751 -28.267 33.139 1.00 12.69 C ATOM 896 C GLY A 109 2.450 -27.994 34.609 1.00 15.30 C ATOM 897 O GLY A 109 1.561 -27.198 34.960 1.00 15.37 O ATOM 0 H GLY A 109 1.938 -26.613 32.451 1.00 11.02 H new ATOM 0 HA2 GLY A 109 2.635 -29.209 32.939 1.00 12.69 H new ATOM 0 HA3 GLY A 109 3.673 -28.046 32.936 1.00 12.69 H new ATOM 898 N PRO A 110 3.241 -28.595 35.506 1.00 17.05 N ATOM 899 CA PRO A 110 3.187 -28.286 36.923 1.00 19.38 C ATOM 900 C PRO A 110 3.250 -26.817 37.277 1.00 20.31 C ATOM 901 O PRO A 110 2.570 -26.453 38.264 1.00 23.65 O ATOM 902 CB PRO A 110 4.475 -28.936 37.449 1.00 19.97 C ATOM 903 CG PRO A 110 4.706 -30.035 36.585 1.00 19.92 C ATOM 904 CD PRO A 110 4.335 -29.540 35.209 1.00 17.18 C ATOM 0 HA PRO A 110 2.344 -28.594 37.290 1.00 19.38 H new ATOM 0 HB2 PRO A 110 5.217 -28.312 37.430 1.00 19.97 H new ATOM 0 HB3 PRO A 110 4.372 -29.227 38.369 1.00 19.97 H new ATOM 0 HG2 PRO A 110 5.633 -30.318 36.618 1.00 19.92 H new ATOM 0 HG3 PRO A 110 4.167 -30.800 36.839 1.00 19.92 H new ATOM 0 HD2 PRO A 110 5.081 -29.105 34.767 1.00 17.18 H new ATOM 0 HD3 PRO A 110 4.044 -30.262 34.630 1.00 17.18 H new ATOM 905 N GLY A 111 4.017 -26.018 36.527 1.00 18.75 N ATOM 906 CA GLY A 111 4.157 -24.572 36.717 1.00 19.56 C ATOM 907 C GLY A 111 2.992 -23.738 36.169 1.00 19.07 C ATOM 908 O GLY A 111 2.999 -22.511 36.289 1.00 21.73 O ATOM 0 H GLY A 111 4.486 -26.316 35.871 1.00 18.75 H new ATOM 0 HA2 GLY A 111 4.251 -24.390 37.665 1.00 19.56 H new ATOM 0 HA3 GLY A 111 4.977 -24.280 36.289 1.00 19.56 H new ATOM 909 N GLY A 112 2.009 -24.381 35.549 1.00 16.08 N ATOM 910 CA GLY A 112 0.872 -23.650 34.975 1.00 14.51 C ATOM 911 C GLY A 112 0.736 -23.840 33.458 1.00 11.34 C ATOM 912 O GLY A 112 1.442 -24.649 32.850 1.00 11.90 O ATOM 0 H GLY A 112 1.976 -25.234 35.448 1.00 16.08 H new ATOM 0 HA2 GLY A 112 0.055 -23.944 35.407 1.00 14.51 H new ATOM 0 HA3 GLY A 112 0.971 -22.705 35.169 1.00 14.51 H new ATOM 913 N VAL A 113 -0.143 -23.065 32.855 1.00 10.66 N ATOM 914 CA VAL A 113 -0.387 -23.164 31.438 1.00 8.83 C ATOM 915 C VAL A 113 0.779 -22.537 30.685 1.00 8.72 C ATOM 916 O VAL A 113 1.172 -21.380 30.921 1.00 9.83 O ATOM 917 CB VAL A 113 -1.684 -22.428 31.100 1.00 8.90 C ATOM 918 CG1 VAL A 113 -1.945 -22.412 29.618 1.00 9.29 C ATOM 919 CG2 VAL A 113 -2.872 -23.124 31.810 1.00 12.25 C ATOM 0 H VAL A 113 -0.614 -22.468 33.257 1.00 10.66 H new ATOM 0 HA VAL A 113 -0.471 -24.095 31.179 1.00 8.83 H new ATOM 0 HB VAL A 113 -1.592 -21.512 31.404 1.00 8.90 H new ATOM 0 HG11 VAL A 113 -2.773 -21.939 29.440 1.00 9.29 H new ATOM 0 HG12 VAL A 113 -1.213 -21.964 29.165 1.00 9.29 H new ATOM 0 HG13 VAL A 113 -2.017 -23.323 29.292 1.00 9.29 H new ATOM 0 HG21 VAL A 113 -3.695 -22.658 31.596 1.00 12.25 H new ATOM 0 HG22 VAL A 113 -2.935 -24.044 31.510 1.00 12.25 H new ATOM 0 HG23 VAL A 113 -2.731 -23.107 32.770 1.00 12.25 H new ATOM 920 N SER A 114 1.374 -23.297 29.778 1.00 8.15 N ATOM 921 CA SER A 114 2.434 -22.775 28.930 1.00 9.00 C ATOM 922 C SER A 114 1.935 -22.156 27.644 1.00 7.93 C ATOM 923 O SER A 114 2.529 -21.183 27.132 1.00 8.12 O ATOM 924 CB SER A 114 3.485 -23.829 28.653 1.00 10.22 C ATOM 925 OG SER A 114 2.980 -24.860 27.825 1.00 9.72 O ATOM 0 H SER A 114 1.178 -24.122 29.637 1.00 8.15 H new ATOM 0 HA SER A 114 2.842 -22.053 29.434 1.00 9.00 H new ATOM 0 HB2 SER A 114 4.253 -23.417 28.227 1.00 10.22 H new ATOM 0 HB3 SER A 114 3.794 -24.207 29.491 1.00 10.22 H new ATOM 0 HG SER A 114 3.292 -24.775 27.050 1.00 9.72 H new ATOM 926 N ALA A 115 0.881 -22.740 27.088 1.00 7.83 N ATOM 927 CA ALA A 115 0.352 -22.322 25.767 1.00 8.17 C ATOM 928 C ALA A 115 -1.140 -22.356 25.795 1.00 7.26 C ATOM 929 O ALA A 115 -1.762 -23.352 26.229 1.00 8.38 O ATOM 930 CB ALA A 115 0.850 -23.244 24.631 1.00 7.49 C ATOM 0 H ALA A 115 0.446 -23.386 27.453 1.00 7.83 H new ATOM 0 HA ALA A 115 0.672 -21.423 25.593 1.00 8.17 H new ATOM 0 HB1 ALA A 115 0.485 -22.941 23.785 1.00 7.49 H new ATOM 0 HB2 ALA A 115 1.819 -23.217 24.593 1.00 7.49 H new ATOM 0 HB3 ALA A 115 0.559 -24.154 24.801 1.00 7.49 H new ATOM 931 N ALA A 116 -1.761 -21.284 25.301 1.00 6.95 N ATOM 932 CA ALA A 116 -3.210 -21.256 25.133 1.00 7.31 C ATOM 933 C ALA A 116 -3.472 -20.634 23.794 1.00 7.27 C ATOM 934 O ALA A 116 -3.117 -19.451 23.576 1.00 7.57 O ATOM 935 CB ALA A 116 -3.886 -20.445 26.306 1.00 8.13 C ATOM 0 H ALA A 116 -1.359 -20.564 25.058 1.00 6.95 H new ATOM 0 HA ALA A 116 -3.592 -22.147 25.167 1.00 7.31 H new ATOM 0 HB1 ALA A 116 -4.848 -20.435 26.181 1.00 8.13 H new ATOM 0 HB2 ALA A 116 -3.675 -20.866 27.154 1.00 8.13 H new ATOM 0 HB3 ALA A 116 -3.551 -19.535 26.305 1.00 8.13 H new ATOM 936 N ILE A 117 -4.086 -21.379 22.887 1.00 7.21 N ATOM 937 CA ILE A 117 -4.356 -20.949 21.523 1.00 7.20 C ATOM 938 C ILE A 117 -5.853 -21.100 21.277 1.00 6.46 C ATOM 939 O ILE A 117 -6.466 -22.111 21.648 1.00 7.60 O ATOM 940 CB ILE A 117 -3.622 -21.836 20.484 1.00 8.82 C ATOM 941 CG1 ILE A 117 -2.095 -21.764 20.619 1.00 10.01 C ATOM 942 CG2 ILE A 117 -4.042 -21.416 19.040 1.00 11.00 C ATOM 943 CD1 ILE A 117 -1.451 -22.732 21.592 1.00 10.07 C ATOM 0 H ILE A 117 -4.366 -22.175 23.053 1.00 7.21 H new ATOM 0 HA ILE A 117 -4.050 -20.034 21.423 1.00 7.20 H new ATOM 0 HB ILE A 117 -3.883 -22.754 20.657 1.00 8.82 H new ATOM 0 HG12 ILE A 117 -1.706 -21.912 19.743 1.00 10.01 H new ATOM 0 HG13 ILE A 117 -1.857 -20.863 20.886 1.00 10.01 H new ATOM 0 HG21 ILE A 117 -3.581 -21.973 18.394 1.00 11.00 H new ATOM 0 HG22 ILE A 117 -5.000 -21.527 18.936 1.00 11.00 H new ATOM 0 HG23 ILE A 117 -3.806 -20.487 18.892 1.00 11.00 H new ATOM 0 HD11 ILE A 117 -0.490 -22.597 21.595 1.00 10.07 H new ATOM 0 HD12 ILE A 117 -1.801 -22.577 22.483 1.00 10.07 H new ATOM 0 HD13 ILE A 117 -1.649 -23.642 21.322 1.00 10.07 H new ATOM 944 N ALA A 118 -6.502 -20.117 20.680 1.00 7.32 N ATOM 945 CA ALA A 118 -7.899 -20.273 20.251 1.00 7.38 C ATOM 946 C ALA A 118 -8.159 -19.424 19.042 1.00 6.75 C ATOM 947 O ALA A 118 -7.626 -18.309 18.942 1.00 7.55 O ATOM 948 CB ALA A 118 -8.876 -19.901 21.382 1.00 9.04 C ATOM 0 H ALA A 118 -6.160 -19.347 20.509 1.00 7.32 H new ATOM 0 HA ALA A 118 -8.045 -21.205 20.026 1.00 7.38 H new ATOM 0 HB1 ALA A 118 -9.788 -20.013 21.072 1.00 9.04 H new ATOM 0 HB2 ALA A 118 -8.722 -20.478 22.146 1.00 9.04 H new ATOM 0 HB3 ALA A 118 -8.734 -18.977 21.641 1.00 9.04 H new ATOM 949 N ASP A 119 -8.988 -19.907 18.134 1.00 7.82 N ATOM 950 CA ASP A 119 -9.256 -19.135 16.924 1.00 7.64 C ATOM 951 C ASP A 119 -10.560 -19.573 16.298 1.00 7.69 C ATOM 952 O ASP A 119 -11.081 -20.684 16.541 1.00 8.08 O ATOM 953 CB ASP A 119 -8.140 -19.368 15.907 1.00 8.43 C ATOM 954 CG ASP A 119 -8.164 -18.373 14.784 1.00 7.64 C ATOM 955 OD1 ASP A 119 -7.827 -18.736 13.622 1.00 8.47 O ATOM 956 OD2 ASP A 119 -8.525 -17.195 15.024 1.00 8.88 O ATOM 0 H ASP A 119 -9.399 -20.660 18.191 1.00 7.82 H new ATOM 0 HA ASP A 119 -9.305 -18.197 17.167 1.00 7.64 H new ATOM 0 HB2 ASP A 119 -7.282 -19.321 16.357 1.00 8.43 H new ATOM 0 HB3 ASP A 119 -8.221 -20.263 15.543 1.00 8.43 H new ATOM 957 N LEU A 120 -11.097 -18.700 15.460 1.00 8.11 N ATOM 958 CA LEU A 120 -12.050 -19.039 14.398 1.00 7.75 C ATOM 959 C LEU A 120 -11.312 -18.823 13.101 1.00 8.25 C ATOM 960 O LEU A 120 -11.009 -17.683 12.758 1.00 9.57 O ATOM 961 CB LEU A 120 -13.293 -18.158 14.507 1.00 8.23 C ATOM 962 CG LEU A 120 -14.178 -18.495 15.715 1.00 7.73 C ATOM 963 CD1 LEU A 120 -15.061 -17.292 16.065 1.00 10.64 C ATOM 964 CD2 LEU A 120 -15.052 -19.733 15.433 1.00 9.89 C ATOM 0 H LEU A 120 -10.914 -17.860 15.490 1.00 8.11 H new ATOM 0 HA LEU A 120 -12.363 -19.955 14.460 1.00 7.75 H new ATOM 0 HB2 LEU A 120 -13.019 -17.229 14.565 1.00 8.23 H new ATOM 0 HB3 LEU A 120 -13.817 -18.249 13.696 1.00 8.23 H new ATOM 0 HG LEU A 120 -13.602 -18.699 16.469 1.00 7.73 H new ATOM 0 HD11 LEU A 120 -15.618 -17.510 16.829 1.00 10.64 H new ATOM 0 HD12 LEU A 120 -14.500 -16.531 16.282 1.00 10.64 H new ATOM 0 HD13 LEU A 120 -15.625 -17.072 15.307 1.00 10.64 H new ATOM 0 HD21 LEU A 120 -15.601 -19.925 16.209 1.00 9.89 H new ATOM 0 HD22 LEU A 120 -15.623 -19.559 14.669 1.00 9.89 H new ATOM 0 HD23 LEU A 120 -14.483 -20.495 15.243 1.00 9.89 H new ATOM 965 N SER A 121 -10.928 -19.920 12.434 1.00 8.48 N ATOM 966 CA SER A 121 -9.991 -19.828 11.309 1.00 8.99 C ATOM 967 C SER A 121 -10.712 -19.834 9.973 1.00 8.15 C ATOM 968 O SER A 121 -11.683 -20.564 9.789 1.00 9.22 O ATOM 969 CB SER A 121 -9.021 -20.996 11.351 1.00 8.21 C ATOM 970 OG SER A 121 -8.371 -21.109 12.611 1.00 8.82 O ATOM 0 H SER A 121 -11.196 -20.717 12.616 1.00 8.48 H new ATOM 0 HA SER A 121 -9.514 -18.988 11.395 1.00 8.99 H new ATOM 0 HB2 SER A 121 -9.499 -21.818 11.160 1.00 8.21 H new ATOM 0 HB3 SER A 121 -8.355 -20.887 10.654 1.00 8.21 H new ATOM 0 HG SER A 121 -8.208 -20.342 12.912 1.00 8.82 H new ATOM 971 N PRO A 122 -10.217 -19.041 9.005 1.00 9.78 N ATOM 972 CA PRO A 122 -10.930 -18.923 7.723 1.00 10.80 C ATOM 973 C PRO A 122 -10.877 -20.137 6.834 1.00 10.23 C ATOM 974 O PRO A 122 -9.961 -20.987 6.872 1.00 10.97 O ATOM 975 CB PRO A 122 -10.199 -17.767 7.020 1.00 11.58 C ATOM 976 CG PRO A 122 -8.847 -17.718 7.637 1.00 15.03 C ATOM 977 CD PRO A 122 -9.036 -18.164 9.097 1.00 10.60 C ATOM 0 HA PRO A 122 -11.877 -18.795 7.891 1.00 10.80 H new ATOM 0 HB2 PRO A 122 -10.141 -17.920 6.064 1.00 11.58 H new ATOM 0 HB3 PRO A 122 -10.670 -16.928 7.145 1.00 11.58 H new ATOM 0 HG2 PRO A 122 -8.230 -18.304 7.171 1.00 15.03 H new ATOM 0 HG3 PRO A 122 -8.476 -16.823 7.592 1.00 15.03 H new ATOM 0 HD2 PRO A 122 -8.259 -18.637 9.435 1.00 10.60 H new ATOM 0 HD3 PRO A 122 -9.189 -17.411 9.689 1.00 10.60 H new ATOM 978 N THR A 123 -11.906 -20.254 5.996 1.00 10.39 N ATOM 979 CA THR A 123 -11.965 -21.294 4.988 1.00 11.75 C ATOM 980 C THR A 123 -12.148 -20.661 3.603 1.00 12.30 C ATOM 981 O THR A 123 -11.986 -21.381 2.610 1.00 12.97 O ATOM 982 CB THR A 123 -13.070 -22.288 5.224 1.00 11.92 C ATOM 983 OG1 THR A 123 -14.297 -21.596 5.393 1.00 12.37 O ATOM 984 CG2 THR A 123 -12.820 -23.090 6.522 1.00 13.79 C ATOM 0 H THR A 123 -12.587 -19.729 6.001 1.00 10.39 H new ATOM 0 HA THR A 123 -11.126 -21.779 5.040 1.00 11.75 H new ATOM 0 HB THR A 123 -13.100 -22.887 4.461 1.00 11.92 H new ATOM 0 HG1 THR A 123 -14.329 -21.266 6.165 1.00 12.37 H new ATOM 0 HG21 THR A 123 -13.542 -23.724 6.655 1.00 13.79 H new ATOM 0 HG22 THR A 123 -11.979 -23.569 6.450 1.00 13.79 H new ATOM 0 HG23 THR A 123 -12.781 -22.481 7.276 1.00 13.79 H new ATOM 985 N GLN A 124 -12.486 -19.369 3.524 1.00 12.45 N ATOM 986 CA GLN A 124 -12.604 -18.663 2.228 1.00 13.62 C ATOM 987 C GLN A 124 -11.252 -18.554 1.519 1.00 14.37 C ATOM 988 O GLN A 124 -10.196 -18.468 2.140 1.00 14.73 O ATOM 989 CB GLN A 124 -13.183 -17.264 2.449 1.00 13.95 C ATOM 990 CG GLN A 124 -14.639 -17.245 2.833 1.00 17.51 C ATOM 991 CD GLN A 124 -15.160 -15.845 3.148 1.00 18.56 C ATOM 992 OE1 GLN A 124 -16.376 -15.791 3.644 1.00 21.25 O flip ATOM 993 NE2 GLN A 124 -14.481 -14.818 2.918 1.00 17.94 N flip ATOM 0 H GLN A 124 -12.653 -18.877 4.209 1.00 12.45 H new ATOM 0 HA GLN A 124 -13.198 -19.180 1.662 1.00 13.62 H new ATOM 0 HB2 GLN A 124 -12.671 -16.820 3.143 1.00 13.95 H new ATOM 0 HB3 GLN A 124 -13.067 -16.746 1.637 1.00 13.95 H new ATOM 0 HG2 GLN A 124 -15.163 -17.624 2.110 1.00 17.51 H new ATOM 0 HG3 GLN A 124 -14.771 -17.814 3.607 1.00 17.51 H new ATOM 0 HE21 GLN A 124 -13.688 -14.891 2.593 1.00 17.94 H new ATOM 0 HE22 GLN A 124 -14.808 -14.040 3.085 1.00 17.94 H new ATOM 994 N SER A 125 -11.267 -18.487 0.188 1.00 14.74 N ATOM 995 CA SER A 125 -9.988 -18.375 -0.519 1.00 16.65 C ATOM 996 C SER A 125 -9.270 -17.057 -0.281 1.00 16.20 C ATOM 997 O SER A 125 -8.054 -16.992 -0.418 1.00 17.79 O ATOM 998 CB SER A 125 -10.208 -18.608 -2.007 1.00 17.59 C ATOM 999 OG SER A 125 -11.041 -17.602 -2.509 1.00 21.05 O ATOM 0 H SER A 125 -11.970 -18.504 -0.307 1.00 14.74 H new ATOM 0 HA SER A 125 -9.404 -19.059 -0.156 1.00 16.65 H new ATOM 0 HB2 SER A 125 -9.359 -18.604 -2.476 1.00 17.59 H new ATOM 0 HB3 SER A 125 -10.609 -19.479 -2.154 1.00 17.59 H new ATOM 0 HG SER A 125 -11.837 -17.765 -2.296 1.00 21.05 H new ATOM 1000 N ASP A 126 -10.022 -16.017 0.074 1.00 16.09 N ATOM 1001 CA ASP A 126 -9.426 -14.739 0.378 1.00 16.80 C ATOM 1002 C ASP A 126 -8.833 -14.674 1.791 1.00 16.65 C ATOM 1003 O ASP A 126 -8.316 -13.644 2.197 1.00 17.15 O ATOM 1004 CB ASP A 126 -10.412 -13.582 0.111 1.00 17.92 C ATOM 1005 CG ASP A 126 -11.587 -13.522 1.081 1.00 18.71 C ATOM 1006 OD1 ASP A 126 -12.446 -12.607 0.909 1.00 21.07 O ATOM 1007 OD2 ASP A 126 -11.699 -14.368 2.008 1.00 17.32 O ATOM 0 H ASP A 126 -10.879 -16.040 0.142 1.00 16.09 H new ATOM 0 HA ASP A 126 -8.676 -14.633 -0.228 1.00 16.80 H new ATOM 0 HB2 ASP A 126 -9.928 -12.742 0.153 1.00 17.92 H new ATOM 0 HB3 ASP A 126 -10.756 -13.666 -0.792 1.00 17.92 H new ATOM 1008 N ARG A 127 -8.929 -15.799 2.531 1.00 15.68 N ATOM 1009 CA ARG A 127 -8.329 -15.930 3.884 1.00 15.98 C ATOM 1010 C ARG A 127 -9.003 -15.039 4.906 1.00 16.20 C ATOM 1011 O ARG A 127 -8.444 -14.756 5.956 1.00 16.20 O ATOM 1012 CB ARG A 127 -6.783 -15.725 3.845 1.00 17.04 C ATOM 1013 CG ARG A 127 -6.133 -16.755 2.926 1.00 20.24 C ATOM 1014 CD ARG A 127 -4.636 -16.563 2.758 1.00 23.57 C ATOM 1015 NE ARG A 127 -3.885 -16.871 3.981 1.00 28.05 N ATOM 1016 CZ ARG A 127 -3.157 -15.978 4.645 1.00 28.96 C ATOM 1017 NH1 ARG A 127 -3.078 -14.722 4.211 1.00 31.12 N ATOM 1018 NH2 ARG A 127 -2.481 -16.334 5.725 1.00 28.10 N ATOM 0 H ARG A 127 -9.342 -16.505 2.265 1.00 15.68 H new ATOM 0 HA ARG A 127 -8.489 -16.841 4.178 1.00 15.98 H new ATOM 0 HB2 ARG A 127 -6.577 -14.830 3.534 1.00 17.04 H new ATOM 0 HB3 ARG A 127 -6.418 -15.805 4.740 1.00 17.04 H new ATOM 0 HG2 ARG A 127 -6.300 -17.643 3.279 1.00 20.24 H new ATOM 0 HG3 ARG A 127 -6.557 -16.712 2.054 1.00 20.24 H new ATOM 0 HD2 ARG A 127 -4.320 -17.130 2.037 1.00 23.57 H new ATOM 0 HD3 ARG A 127 -4.459 -15.646 2.496 1.00 23.57 H new ATOM 0 HE ARG A 127 -3.918 -17.675 4.285 1.00 28.05 H new ATOM 0 HH11 ARG A 127 -3.499 -14.486 3.499 1.00 31.12 H new ATOM 0 HH12 ARG A 127 -2.606 -14.147 4.643 1.00 31.12 H new ATOM 0 HH21 ARG A 127 -2.511 -17.148 6.002 1.00 28.10 H new ATOM 0 HH22 ARG A 127 -2.012 -15.752 6.150 1.00 28.10 H new ATOM 1019 N GLN A 128 -10.202 -14.563 4.575 1.00 15.05 N ATOM 1020 CA AGLN A 128 -11.009 -13.722 5.474 0.45 15.49 C ATOM 1021 CA BGLN A 128 -10.992 -13.729 5.488 0.55 15.69 C ATOM 1022 C GLN A 128 -12.133 -14.527 6.100 1.00 14.04 C ATOM 1023 O GLN A 128 -12.666 -15.434 5.474 1.00 14.03 O ATOM 1024 CB AGLN A 128 -11.618 -12.532 4.725 0.45 16.22 C ATOM 1025 CB BGLN A 128 -11.554 -12.510 4.758 0.55 16.69 C ATOM 1026 CG AGLN A 128 -10.575 -11.500 4.287 0.45 18.49 C ATOM 1027 CG BGLN A 128 -10.476 -11.679 4.019 0.55 19.34 C ATOM 1028 CD AGLN A 128 -11.177 -10.169 3.890 0.45 21.65 C ATOM 1029 CD BGLN A 128 -9.353 -11.173 4.933 0.55 22.28 C ATOM 1030 OE1AGLN A 128 -12.092 -9.662 4.543 0.45 23.68 O ATOM 1031 OE1BGLN A 128 -9.607 -10.468 5.914 0.55 24.64 O ATOM 1032 NE2AGLN A 128 -10.657 -9.584 2.816 0.45 24.85 N ATOM 1033 NE2BGLN A 128 -8.112 -11.545 4.618 0.55 22.31 N ATOM 0 H AGLN A 128 -10.577 -14.718 3.817 0.45 15.05 H new ATOM 0 H BGLN A 128 -10.582 -14.712 3.818 0.55 15.05 H new ATOM 0 HA AGLN A 128 -10.414 -13.394 6.167 0.45 15.69 H new ATOM 0 HA BGLN A 128 -10.403 -13.429 6.197 0.55 15.69 H new ATOM 0 HB2AGLN A 128 -12.092 -12.857 3.943 0.45 16.69 H new ATOM 0 HB2BGLN A 128 -12.220 -12.805 4.117 0.55 16.69 H new ATOM 0 HB3AGLN A 128 -12.274 -12.100 5.294 0.45 16.69 H new ATOM 0 HB3BGLN A 128 -12.009 -11.940 5.398 0.55 16.69 H new ATOM 0 HG2AGLN A 128 -9.945 -11.359 5.011 0.45 19.34 H new ATOM 0 HG2BGLN A 128 -10.089 -12.221 3.314 0.55 19.34 H new ATOM 0 HG3AGLN A 128 -10.072 -11.856 3.538 0.45 19.34 H new ATOM 0 HG3BGLN A 128 -10.901 -10.919 3.592 0.55 19.34 H new ATOM 0 HE21AGLN A 128 -10.019 -9.967 2.384 0.45 22.31 H new ATOM 0 HE21BGLN A 128 -7.973 -12.037 3.926 0.55 22.31 H new ATOM 0 HE22AGLN A 128 -10.958 -8.823 2.553 0.45 22.31 H new ATOM 0 HE22BGLN A 128 -7.451 -11.293 5.106 0.55 22.31 H new ATOM 1034 N LEU A 129 -12.482 -14.185 7.339 1.00 14.20 N ATOM 1035 CA LEU A 129 -13.700 -14.707 7.950 1.00 14.08 C ATOM 1036 C LEU A 129 -14.913 -14.093 7.276 1.00 14.18 C ATOM 1037 O LEU A 129 -14.837 -12.970 6.730 1.00 14.99 O ATOM 1038 CB LEU A 129 -13.725 -14.338 9.452 1.00 13.47 C ATOM 1039 CG LEU A 129 -12.690 -15.140 10.255 1.00 12.82 C ATOM 1040 CD1 LEU A 129 -12.773 -14.708 11.711 1.00 15.09 C ATOM 1041 CD2 LEU A 129 -12.860 -16.643 10.134 1.00 13.16 C ATOM 0 H LEU A 129 -12.028 -13.654 7.840 1.00 14.20 H new ATOM 0 HA LEU A 129 -13.718 -15.671 7.846 1.00 14.08 H new ATOM 0 HB2 LEU A 129 -13.550 -13.390 9.555 1.00 13.47 H new ATOM 0 HB3 LEU A 129 -14.611 -14.503 9.811 1.00 13.47 H new ATOM 0 HG LEU A 129 -11.814 -14.948 9.885 1.00 12.82 H new ATOM 0 HD11 LEU A 129 -12.125 -15.205 12.234 1.00 15.09 H new ATOM 0 HD12 LEU A 129 -12.583 -13.759 11.779 1.00 15.09 H new ATOM 0 HD13 LEU A 129 -13.665 -14.883 12.050 1.00 15.09 H new ATOM 0 HD21 LEU A 129 -12.179 -17.089 10.662 1.00 13.16 H new ATOM 0 HD22 LEU A 129 -13.738 -16.897 10.459 1.00 13.16 H new ATOM 0 HD23 LEU A 129 -12.771 -16.905 9.204 1.00 13.16 H new ATOM 1042 N PRO A 130 -16.063 -14.799 7.281 1.00 13.39 N ATOM 1043 CA PRO A 130 -17.275 -14.170 6.753 1.00 14.48 C ATOM 1044 C PRO A 130 -17.546 -12.860 7.448 1.00 14.08 C ATOM 1045 O PRO A 130 -17.230 -12.651 8.617 1.00 14.88 O ATOM 1046 CB PRO A 130 -18.383 -15.213 7.028 1.00 14.51 C ATOM 1047 CG PRO A 130 -17.582 -16.535 7.120 1.00 13.86 C ATOM 1048 CD PRO A 130 -16.352 -16.112 7.887 1.00 13.62 C ATOM 0 HA PRO A 130 -17.210 -13.948 5.811 1.00 14.48 H new ATOM 0 HB2 PRO A 130 -18.862 -15.023 7.850 1.00 14.51 H new ATOM 0 HB3 PRO A 130 -19.041 -15.238 6.315 1.00 14.51 H new ATOM 0 HG2 PRO A 130 -18.078 -17.227 7.584 1.00 13.86 H new ATOM 0 HG3 PRO A 130 -17.359 -16.885 6.243 1.00 13.86 H new ATOM 0 HD2 PRO A 130 -16.521 -16.045 8.840 1.00 13.62 H new ATOM 0 HD3 PRO A 130 -15.618 -16.736 7.773 1.00 13.62 H new ATOM 1049 N ALA A 131 -18.234 -11.968 6.717 1.00 16.08 N ATOM 1050 CA ALA A 131 -18.510 -10.653 7.198 1.00 15.98 C ATOM 1051 C ALA A 131 -19.174 -10.591 8.582 1.00 14.99 C ATOM 1052 O ALA A 131 -18.806 -9.770 9.432 1.00 16.45 O ATOM 1053 CB ALA A 131 -19.428 -9.946 6.169 1.00 18.13 C ATOM 0 H ALA A 131 -18.544 -12.130 5.931 1.00 16.08 H new ATOM 0 HA ALA A 131 -17.651 -10.214 7.302 1.00 15.98 H new ATOM 0 HB1 ALA A 131 -19.629 -9.048 6.477 1.00 18.13 H new ATOM 0 HB2 ALA A 131 -18.978 -9.900 5.311 1.00 18.13 H new ATOM 0 HB3 ALA A 131 -20.253 -10.447 6.074 1.00 18.13 H new ATOM 1054 N ALA A 132 -20.162 -11.453 8.805 1.00 15.94 N ATOM 1055 CA ALA A 132 -20.848 -11.395 10.094 1.00 15.68 C ATOM 1056 C ALA A 132 -19.933 -11.767 11.260 1.00 13.85 C ATOM 1057 O ALA A 132 -20.060 -11.248 12.380 1.00 15.61 O ATOM 1058 CB ALA A 132 -22.078 -12.271 10.120 1.00 17.18 C ATOM 0 H ALA A 132 -20.441 -12.052 8.254 1.00 15.94 H new ATOM 0 HA ALA A 132 -21.120 -10.470 10.203 1.00 15.68 H new ATOM 0 HB1 ALA A 132 -22.504 -12.205 10.989 1.00 17.18 H new ATOM 0 HB2 ALA A 132 -22.698 -11.979 9.434 1.00 17.18 H new ATOM 0 HB3 ALA A 132 -21.823 -13.192 9.954 1.00 17.18 H new ATOM 1059 N TYR A 133 -18.975 -12.682 11.022 1.00 13.28 N ATOM 1060 CA TYR A 133 -17.996 -13.011 12.064 1.00 14.03 C ATOM 1061 C TYR A 133 -17.092 -11.805 12.295 1.00 14.47 C ATOM 1062 O TYR A 133 -16.777 -11.485 13.409 1.00 15.07 O ATOM 1063 CB TYR A 133 -17.144 -14.191 11.666 1.00 11.79 C ATOM 1064 CG TYR A 133 -17.806 -15.528 11.857 1.00 10.69 C ATOM 1065 CD1 TYR A 133 -18.666 -16.070 10.909 1.00 11.68 C ATOM 1066 CD2 TYR A 133 -17.494 -16.293 13.001 1.00 9.60 C ATOM 1067 CE1 TYR A 133 -19.251 -17.327 11.081 1.00 10.24 C ATOM 1068 CE2 TYR A 133 -18.069 -17.538 13.227 1.00 9.88 C ATOM 1069 CZ TYR A 133 -18.923 -18.058 12.288 1.00 9.13 C ATOM 1070 OH TYR A 133 -19.494 -19.295 12.416 1.00 9.90 O ATOM 0 H TYR A 133 -18.880 -13.111 10.283 1.00 13.28 H new ATOM 0 HA TYR A 133 -18.479 -13.240 12.874 1.00 14.03 H new ATOM 0 HB2 TYR A 133 -16.895 -14.096 10.733 1.00 11.79 H new ATOM 0 HB3 TYR A 133 -16.323 -14.172 12.182 1.00 11.79 H new ATOM 0 HD1 TYR A 133 -18.857 -15.583 10.140 1.00 11.68 H new ATOM 0 HD2 TYR A 133 -16.888 -15.955 13.620 1.00 9.60 H new ATOM 0 HE1 TYR A 133 -19.829 -17.681 10.445 1.00 10.24 H new ATOM 0 HE2 TYR A 133 -17.877 -18.012 14.004 1.00 9.88 H new ATOM 0 HH TYR A 133 -19.217 -19.660 13.120 1.00 9.90 H new ATOM 1071 N GLN A 134 -16.655 -11.146 11.211 1.00 14.98 N ATOM 1072 CA GLN A 134 -15.781 -9.976 11.390 1.00 17.30 C ATOM 1073 C GLN A 134 -16.458 -8.919 12.244 1.00 18.51 C ATOM 1074 O GLN A 134 -15.852 -8.387 13.167 1.00 19.94 O ATOM 1075 CB GLN A 134 -15.378 -9.381 10.056 1.00 17.63 C ATOM 1076 CG GLN A 134 -14.516 -10.327 9.256 1.00 18.88 C ATOM 1077 CD GLN A 134 -13.885 -9.661 8.056 1.00 21.19 C ATOM 1078 OE1 GLN A 134 -13.531 -8.381 8.200 1.00 24.40 O flip ATOM 1079 NE2 GLN A 134 -13.690 -10.290 7.017 1.00 24.93 N flip ATOM 0 H GLN A 134 -16.843 -11.349 10.397 1.00 14.98 H new ATOM 0 HA GLN A 134 -14.980 -10.280 11.845 1.00 17.30 H new ATOM 0 HB2 GLN A 134 -16.174 -9.160 9.547 1.00 17.63 H new ATOM 0 HB3 GLN A 134 -14.897 -8.552 10.204 1.00 17.63 H new ATOM 0 HG2 GLN A 134 -13.819 -10.686 9.827 1.00 18.88 H new ATOM 0 HG3 GLN A 134 -15.054 -11.078 8.960 1.00 18.88 H new ATOM 0 HE21 GLN A 134 -13.932 -11.113 6.961 1.00 24.93 H new ATOM 0 HE22 GLN A 134 -13.312 -9.906 6.347 1.00 24.93 H new ATOM 1080 N LYS A 135 -17.719 -8.678 11.963 1.00 18.92 N ATOM 1081 CA ALYS A 135 -18.481 -7.679 12.702 0.50 20.70 C ATOM 1082 CA BLYS A 135 -18.486 -7.671 12.694 0.50 20.54 C ATOM 1083 C LYS A 135 -18.639 -8.050 14.170 1.00 21.05 C ATOM 1084 O LYS A 135 -18.415 -7.232 15.059 1.00 22.71 O ATOM 1085 CB ALYS A 135 -19.851 -7.484 12.084 0.50 21.03 C ATOM 1086 CB BLYS A 135 -19.847 -7.432 12.032 0.50 20.88 C ATOM 1087 CG ALYS A 135 -20.581 -6.307 12.638 0.50 22.88 C ATOM 1088 CG BLYS A 135 -19.734 -6.850 10.615 0.50 21.73 C ATOM 1089 CD ALYS A 135 -21.520 -5.793 11.610 0.50 24.87 C ATOM 1090 CD BLYS A 135 -20.989 -7.066 9.780 0.50 23.08 C ATOM 1091 CE ALYS A 135 -21.988 -4.405 11.972 0.50 23.25 C ATOM 1092 CE BLYS A 135 -20.865 -6.394 8.406 0.50 24.18 C ATOM 1093 NZ ALYS A 135 -23.205 -4.094 11.198 0.50 23.17 N ATOM 1094 NZ BLYS A 135 -22.001 -6.755 7.507 0.50 26.71 N ATOM 0 H ALYS A 135 -18.161 -9.081 11.345 0.50 18.92 H new ATOM 0 H BLYS A 135 -18.161 -9.086 11.348 0.50 18.92 H new ATOM 0 HA ALYS A 135 -17.979 -6.851 12.651 0.50 20.54 H new ATOM 0 HA BLYS A 135 -17.991 -6.837 12.660 0.50 20.54 H new ATOM 0 HB2ALYS A 135 -19.755 -7.376 11.125 0.50 20.88 H new ATOM 0 HB2BLYS A 135 -20.334 -8.270 11.994 0.50 20.88 H new ATOM 0 HB3ALYS A 135 -20.381 -8.283 12.227 0.50 20.88 H new ATOM 0 HB3BLYS A 135 -20.367 -6.827 12.584 0.50 20.88 H new ATOM 0 HG2ALYS A 135 -21.067 -6.560 13.439 0.50 21.73 H new ATOM 0 HG2BLYS A 135 -19.551 -5.899 10.675 0.50 21.73 H new ATOM 0 HG3ALYS A 135 -19.953 -5.614 12.895 0.50 21.73 H new ATOM 0 HG3BLYS A 135 -18.978 -7.256 10.164 0.50 21.73 H new ATOM 0 HD2ALYS A 135 -21.084 -5.778 10.744 0.50 23.08 H new ATOM 0 HD2BLYS A 135 -21.144 -8.017 9.665 0.50 23.08 H new ATOM 0 HD3ALYS A 135 -22.282 -6.388 11.533 0.50 23.08 H new ATOM 0 HD3BLYS A 135 -21.758 -6.708 10.250 0.50 23.08 H new ATOM 0 HE2ALYS A 135 -22.172 -4.350 12.923 0.50 24.18 H new ATOM 0 HE2BLYS A 135 -20.835 -5.431 8.519 0.50 24.18 H new ATOM 0 HE3ALYS A 135 -21.293 -3.756 11.780 0.50 24.18 H new ATOM 0 HE3BLYS A 135 -20.028 -6.657 7.992 0.50 24.18 H new ATOM 0 HZ1ALYS A 135 -23.632 -3.412 11.578 0.50 26.71 H new ATOM 0 HZ1BLYS A 135 -21.755 -6.646 6.659 0.50 26.71 H new ATOM 0 HZ2ALYS A 135 -22.980 -3.876 10.365 0.50 26.71 H new ATOM 0 HZ2BLYS A 135 -22.228 -7.605 7.642 0.50 26.71 H new ATOM 0 HZ3ALYS A 135 -23.738 -4.807 11.184 0.50 26.71 H new ATOM 0 HZ3BLYS A 135 -22.698 -6.230 7.683 0.50 26.71 H new ATOM 1095 N SER A 136 -19.018 -9.304 14.452 1.00 18.44 N ATOM 1096 CA SER A 136 -19.230 -9.702 15.852 1.00 18.54 C ATOM 1097 C SER A 136 -17.932 -9.770 16.628 1.00 19.48 C ATOM 1098 O SER A 136 -17.901 -9.458 17.829 1.00 21.24 O ATOM 1099 CB SER A 136 -19.932 -11.077 15.925 1.00 18.45 C ATOM 1100 OG SER A 136 -21.288 -10.977 15.544 1.00 19.74 O ATOM 0 H SER A 136 -19.154 -9.921 13.869 1.00 18.44 H new ATOM 0 HA SER A 136 -19.792 -9.021 16.254 1.00 18.54 H new ATOM 0 HB2 SER A 136 -19.476 -11.707 15.346 1.00 18.45 H new ATOM 0 HB3 SER A 136 -19.872 -11.427 16.828 1.00 18.45 H new ATOM 0 HG SER A 136 -21.361 -11.136 14.722 1.00 19.74 H new ATOM 1101 N LEU A 137 -16.857 -10.221 15.982 1.00 18.62 N ATOM 1102 CA LEU A 137 -15.571 -10.282 16.654 1.00 20.07 C ATOM 1103 C LEU A 137 -15.013 -8.905 16.986 1.00 23.02 C ATOM 1104 O LEU A 137 -14.450 -8.729 18.070 1.00 24.88 O ATOM 1105 CB LEU A 137 -14.562 -11.098 15.842 1.00 18.41 C ATOM 1106 CG LEU A 137 -14.893 -12.585 15.859 1.00 17.37 C ATOM 1107 CD1 LEU A 137 -14.112 -13.334 14.748 1.00 17.11 C ATOM 1108 CD2 LEU A 137 -14.577 -13.220 17.162 1.00 15.85 C ATOM 0 H LEU A 137 -16.855 -10.492 15.166 1.00 18.62 H new ATOM 0 HA LEU A 137 -15.724 -10.733 17.499 1.00 20.07 H new ATOM 0 HB2 LEU A 137 -14.551 -10.780 14.926 1.00 18.41 H new ATOM 0 HB3 LEU A 137 -13.671 -10.961 16.201 1.00 18.41 H new ATOM 0 HG LEU A 137 -15.848 -12.652 15.705 1.00 17.37 H new ATOM 0 HD11 LEU A 137 -14.336 -14.277 14.775 1.00 17.11 H new ATOM 0 HD12 LEU A 137 -14.352 -12.970 13.882 1.00 17.11 H new ATOM 0 HD13 LEU A 137 -13.159 -13.224 14.892 1.00 17.11 H new ATOM 0 HD21 LEU A 137 -14.803 -14.163 17.126 1.00 15.85 H new ATOM 0 HD22 LEU A 137 -13.630 -13.122 17.349 1.00 15.85 H new ATOM 0 HD23 LEU A 137 -15.091 -12.791 17.864 1.00 15.85 H new ATOM 1109 N ALA A 138 -15.161 -7.963 16.067 1.00 24.86 N ATOM 1110 CA ALA A 138 -14.693 -6.596 16.314 1.00 27.44 C ATOM 1111 C ALA A 138 -15.363 -6.039 17.568 1.00 28.68 C ATOM 1112 O ALA A 138 -14.657 -5.430 18.408 1.00 30.41 O ATOM 1113 CB ALA A 138 -14.962 -5.718 15.113 1.00 28.46 C ATOM 0 H ALA A 138 -15.526 -8.087 15.298 1.00 24.86 H new ATOM 0 HA ALA A 138 -13.734 -6.609 16.459 1.00 27.44 H new ATOM 0 HB1 ALA A 138 -14.647 -4.818 15.293 1.00 28.46 H new ATOM 0 HB2 ALA A 138 -14.497 -6.075 14.340 1.00 28.46 H new ATOM 0 HB3 ALA A 138 -15.915 -5.697 14.935 1.00 28.46 H new ATOM 1114 N GLU A 139 -16.679 -6.284 17.722 1.00 27.98 N ATOM 1115 CA AGLU A 139 -17.452 -5.777 18.864 0.31 28.09 C ATOM 1116 CA BGLU A 139 -17.474 -5.789 18.871 0.69 27.94 C ATOM 1117 C GLU A 139 -16.957 -6.248 20.239 1.00 27.44 C ATOM 1118 O GLU A 139 -17.300 -5.644 21.269 1.00 28.37 O ATOM 1119 CB AGLU A 139 -18.938 -6.105 18.703 0.31 28.19 C ATOM 1120 CB BGLU A 139 -18.967 -6.162 18.773 0.69 27.80 C ATOM 1121 CG AGLU A 139 -19.621 -5.339 17.586 0.31 29.55 C ATOM 1122 CG BGLU A 139 -19.814 -5.392 17.757 0.69 28.26 C ATOM 1123 CD AGLU A 139 -20.868 -6.035 17.098 0.31 30.37 C ATOM 1124 CD BGLU A 139 -19.875 -3.878 18.006 0.69 27.90 C ATOM 1125 OE1AGLU A 139 -21.234 -7.071 17.694 0.31 30.17 O ATOM 1126 OE1BGLU A 139 -20.363 -3.444 19.082 0.69 26.03 O ATOM 1127 OE2AGLU A 139 -21.473 -5.564 16.108 0.31 30.91 O ATOM 1128 OE2BGLU A 139 -19.460 -3.124 17.099 0.69 28.92 O ATOM 0 H AGLU A 139 -17.143 -6.748 17.166 0.31 27.98 H new ATOM 0 H BGLU A 139 -17.138 -6.745 17.160 0.69 27.98 H new ATOM 0 HA AGLU A 139 -17.316 -4.817 18.850 0.31 27.94 H new ATOM 0 HA BGLU A 139 -17.370 -4.826 18.812 0.69 27.94 H new ATOM 0 HB2AGLU A 139 -19.034 -7.056 18.536 0.31 27.80 H new ATOM 0 HB2BGLU A 139 -19.028 -7.107 18.561 0.69 27.80 H new ATOM 0 HB3AGLU A 139 -19.394 -5.916 19.538 0.31 27.80 H new ATOM 0 HB3BGLU A 139 -19.365 -6.042 19.649 0.69 27.80 H new ATOM 0 HG2AGLU A 139 -19.850 -4.450 17.899 0.31 28.26 H new ATOM 0 HG2BGLU A 139 -19.457 -5.549 16.869 0.69 28.26 H new ATOM 0 HG3AGLU A 139 -19.003 -5.229 16.846 0.31 28.26 H new ATOM 0 HG3BGLU A 139 -20.716 -5.748 17.768 0.69 28.26 H new ATOM 1129 N LEU A 140 -16.156 -7.314 20.268 1.00 25.38 N ATOM 1130 CA LEU A 140 -15.552 -7.824 21.503 1.00 24.15 C ATOM 1131 C LEU A 140 -14.432 -6.915 22.030 1.00 24.94 C ATOM 1132 O LEU A 140 -14.167 -6.894 23.227 1.00 26.62 O ATOM 1133 CB LEU A 140 -15.011 -9.259 21.330 1.00 22.56 C ATOM 1134 CG LEU A 140 -16.031 -10.356 20.991 1.00 22.01 C ATOM 1135 CD1 LEU A 140 -15.321 -11.644 20.842 1.00 20.80 C ATOM 1136 CD2 LEU A 140 -17.102 -10.478 22.063 1.00 24.51 C ATOM 0 H LEU A 140 -15.946 -7.765 19.567 1.00 25.38 H new ATOM 0 HA LEU A 140 -16.268 -7.835 22.158 1.00 24.15 H new ATOM 0 HB2 LEU A 140 -14.340 -9.245 20.630 1.00 22.56 H new ATOM 0 HB3 LEU A 140 -14.559 -9.511 22.151 1.00 22.56 H new ATOM 0 HG LEU A 140 -16.473 -10.117 20.161 1.00 22.01 H new ATOM 0 HD11 LEU A 140 -15.959 -12.343 20.628 1.00 20.80 H new ATOM 0 HD12 LEU A 140 -14.668 -11.573 20.128 1.00 20.80 H new ATOM 0 HD13 LEU A 140 -14.870 -11.863 21.672 1.00 20.80 H new ATOM 0 HD21 LEU A 140 -17.727 -11.178 21.818 1.00 24.51 H new ATOM 0 HD22 LEU A 140 -16.687 -10.699 22.912 1.00 24.51 H new ATOM 0 HD23 LEU A 140 -17.576 -9.636 22.145 1.00 24.51 H new ATOM 1137 N GLY A 141 -13.749 -6.222 21.138 1.00 24.84 N ATOM 1138 CA GLY A 141 -12.593 -5.429 21.568 1.00 27.22 C ATOM 1139 C GLY A 141 -11.343 -6.264 21.760 1.00 28.17 C ATOM 1140 O GLY A 141 -11.397 -7.505 21.836 1.00 28.84 O ATOM 0 H GLY A 141 -13.925 -6.191 20.297 1.00 24.84 H new ATOM 0 HA2 GLY A 141 -12.417 -4.739 20.910 1.00 27.22 H new ATOM 0 HA3 GLY A 141 -12.807 -4.979 22.400 1.00 27.22 H new ATOM 1141 N GLN A 142 -10.210 -5.575 21.828 1.00 28.46 N ATOM 1142 CA GLN A 142 -8.905 -6.201 21.804 1.00 28.04 C ATOM 1143 C GLN A 142 -8.639 -6.693 23.211 1.00 27.24 C ATOM 1144 O GLN A 142 -8.663 -5.906 24.154 1.00 28.55 O ATOM 0 H GLN A 142 -10.182 -4.718 21.890 1.00 28.46 H new ATOM 1145 N PRO A 143 -8.396 -8.008 23.377 1.00 26.94 N ATOM 1146 CA PRO A 143 -8.054 -8.393 24.742 1.00 26.42 C ATOM 1147 C PRO A 143 -6.586 -8.082 25.015 1.00 26.28 C ATOM 1148 O PRO A 143 -5.762 -8.086 24.101 1.00 29.50 O ATOM 1149 CB PRO A 143 -8.313 -9.900 24.763 1.00 25.96 C ATOM 1150 CG PRO A 143 -8.078 -10.334 23.308 1.00 27.43 C ATOM 1151 CD PRO A 143 -8.285 -9.127 22.421 1.00 26.92 C ATOM 0 HA PRO A 143 -8.563 -7.921 25.419 1.00 26.42 H new ATOM 0 HB2 PRO A 143 -7.711 -10.356 25.372 1.00 25.96 H new ATOM 0 HB3 PRO A 143 -9.216 -10.102 25.053 1.00 25.96 H new ATOM 0 HG2 PRO A 143 -7.180 -10.685 23.200 1.00 27.43 H new ATOM 0 HG3 PRO A 143 -8.691 -11.044 23.063 1.00 27.43 H new ATOM 0 HD2 PRO A 143 -7.542 -9.002 21.810 1.00 26.92 H new ATOM 0 HD3 PRO A 143 -9.085 -9.215 21.880 1.00 26.92 H new ATOM 1152 N GLU A 144 -6.276 -7.813 26.265 1.00 24.23 N ATOM 1153 CA GLU A 144 -4.901 -7.524 26.651 1.00 23.19 C ATOM 1154 C GLU A 144 -4.354 -8.781 27.284 1.00 19.95 C ATOM 1155 O GLU A 144 -4.953 -9.346 28.199 1.00 19.39 O ATOM 1156 CB GLU A 144 -4.818 -6.354 27.642 1.00 25.49 C ATOM 1157 CG GLU A 144 -5.689 -5.112 27.310 1.00 31.43 C ATOM 1158 CD GLU A 144 -5.112 -4.173 26.234 1.00 38.16 C ATOM 1159 OE1 GLU A 144 -4.626 -4.651 25.179 1.00 41.06 O ATOM 1160 OE2 GLU A 144 -5.178 -2.934 26.439 1.00 41.99 O ATOM 0 H GLU A 144 -6.843 -7.791 26.911 1.00 24.23 H new ATOM 0 HA GLU A 144 -4.387 -7.262 25.871 1.00 23.19 H new ATOM 0 HB2 GLU A 144 -5.072 -6.679 28.520 1.00 25.49 H new ATOM 0 HB3 GLU A 144 -3.892 -6.070 27.702 1.00 25.49 H new ATOM 0 HG2 GLU A 144 -6.562 -5.416 27.018 1.00 31.43 H new ATOM 0 HG3 GLU A 144 -5.824 -4.603 28.124 1.00 31.43 H new ATOM 1161 N PHE A 145 -3.192 -9.171 26.800 1.00 16.23 N ATOM 1162 CA PHE A 145 -2.470 -10.276 27.431 1.00 13.77 C ATOM 1163 C PHE A 145 -1.008 -9.893 27.499 1.00 13.18 C ATOM 1164 O PHE A 145 -0.466 -9.397 26.515 1.00 14.82 O ATOM 1165 CB PHE A 145 -2.678 -11.561 26.617 1.00 13.10 C ATOM 1166 CG PHE A 145 -4.053 -12.120 26.722 1.00 11.31 C ATOM 1167 CD1 PHE A 145 -4.853 -12.187 25.608 1.00 11.48 C ATOM 1168 CD2 PHE A 145 -4.527 -12.638 27.933 1.00 11.67 C ATOM 1169 CE1 PHE A 145 -6.156 -12.760 25.668 1.00 13.26 C ATOM 1170 CE2 PHE A 145 -5.827 -13.185 28.019 1.00 11.46 C ATOM 1171 CZ PHE A 145 -6.640 -13.259 26.907 1.00 10.80 C ATOM 0 H PHE A 145 -2.802 -8.821 26.118 1.00 16.23 H new ATOM 0 HA PHE A 145 -2.800 -10.444 28.328 1.00 13.77 H new ATOM 0 HB2 PHE A 145 -2.482 -11.379 25.685 1.00 13.10 H new ATOM 0 HB3 PHE A 145 -2.042 -12.230 26.915 1.00 13.10 H new ATOM 0 HD1 PHE A 145 -4.538 -11.852 24.799 1.00 11.48 H new ATOM 0 HD2 PHE A 145 -3.982 -12.622 28.687 1.00 11.67 H new ATOM 0 HE1 PHE A 145 -6.684 -12.807 24.904 1.00 13.26 H new ATOM 0 HE2 PHE A 145 -6.139 -13.500 28.837 1.00 11.46 H new ATOM 0 HZ PHE A 145 -7.491 -13.629 26.967 1.00 10.80 H new ATOM 1172 N GLU A 146 -0.400 -10.150 28.632 1.00 12.35 N ATOM 1173 CA GLU A 146 0.970 -9.737 28.902 1.00 14.01 C ATOM 1174 C GLU A 146 2.015 -10.525 28.163 1.00 13.44 C ATOM 1175 O GLU A 146 3.099 -9.986 27.916 1.00 14.78 O ATOM 1176 CB GLU A 146 1.269 -9.830 30.395 1.00 15.46 C ATOM 1177 CG GLU A 146 0.515 -8.760 31.162 1.00 21.26 C ATOM 1178 CD GLU A 146 0.695 -8.818 32.670 1.00 29.74 C ATOM 1179 OE1 GLU A 146 1.162 -9.843 33.216 1.00 31.29 O ATOM 1180 OE2 GLU A 146 0.343 -7.810 33.326 1.00 30.38 O ATOM 0 H GLU A 146 -0.770 -10.575 29.282 1.00 12.35 H new ATOM 0 HA GLU A 146 1.022 -8.822 28.584 1.00 14.01 H new ATOM 0 HB2 GLU A 146 1.020 -10.707 30.725 1.00 15.46 H new ATOM 0 HB3 GLU A 146 2.222 -9.731 30.545 1.00 15.46 H new ATOM 0 HG2 GLU A 146 0.803 -7.889 30.847 1.00 21.26 H new ATOM 0 HG3 GLU A 146 -0.430 -8.837 30.958 1.00 21.26 H new ATOM 1181 N GLN A 147 1.790 -11.810 27.895 1.00 11.31 N ATOM 1182 CA AGLN A 147 2.806 -12.706 27.340 0.50 11.62 C ATOM 1183 CA BGLN A 147 2.815 -12.675 27.302 0.50 11.82 C ATOM 1184 C GLN A 147 2.297 -13.303 26.019 1.00 11.57 C ATOM 1185 O GLN A 147 1.920 -14.522 25.985 1.00 12.13 O ATOM 1186 CB AGLN A 147 3.181 -13.793 28.367 0.50 11.92 C ATOM 1187 CB BGLN A 147 3.292 -13.725 28.297 0.50 12.04 C ATOM 1188 CG AGLN A 147 3.956 -13.261 29.595 0.50 14.02 C ATOM 1189 CG BGLN A 147 3.693 -13.125 29.644 0.50 14.42 C ATOM 1190 CD AGLN A 147 3.994 -14.200 30.826 0.50 18.24 C ATOM 1191 CD BGLN A 147 4.281 -14.143 30.596 0.50 17.37 C ATOM 1192 OE1AGLN A 147 3.480 -15.310 30.825 0.50 19.25 O ATOM 1193 OE1BGLN A 147 3.787 -14.305 31.731 0.50 20.92 O ATOM 1194 NE2AGLN A 147 4.627 -13.720 31.898 0.50 17.40 N ATOM 1195 NE2BGLN A 147 5.342 -14.830 30.164 0.50 17.35 N ATOM 0 H AGLN A 147 1.032 -12.192 28.032 0.50 11.31 H new ATOM 0 H BGLN A 147 1.042 -12.206 28.050 0.50 11.31 H new ATOM 0 HA AGLN A 147 3.616 -12.207 27.148 0.50 11.82 H new ATOM 0 HA BGLN A 147 3.586 -12.131 27.076 0.50 11.82 H new ATOM 0 HB2AGLN A 147 2.370 -14.229 28.672 0.50 12.04 H new ATOM 0 HB2BGLN A 147 2.588 -14.377 28.435 0.50 12.04 H new ATOM 0 HB3AGLN A 147 3.718 -14.470 27.926 0.50 12.04 H new ATOM 0 HB3BGLN A 147 4.049 -14.200 27.921 0.50 12.04 H new ATOM 0 HG2AGLN A 147 4.868 -13.073 29.324 0.50 14.42 H new ATOM 0 HG2BGLN A 147 4.339 -12.417 29.497 0.50 14.42 H new ATOM 0 HG3AGLN A 147 3.561 -12.417 29.865 0.50 14.42 H new ATOM 0 HG3BGLN A 147 2.915 -12.718 30.055 0.50 14.42 H new ATOM 0 HE21AGLN A 147 4.980 -12.936 31.874 0.50 17.35 H new ATOM 0 HE21BGLN A 147 5.653 -14.689 29.375 0.50 17.35 H new ATOM 0 HE22AGLN A 147 4.682 -14.194 32.613 0.50 17.35 H new ATOM 0 HE22BGLN A 147 5.714 -15.413 30.675 0.50 17.35 H new ATOM 1196 N GLN A 148 2.241 -12.512 24.961 1.00 11.64 N ATOM 1197 CA AGLN A 148 1.876 -12.927 23.598 0.50 11.45 C ATOM 1198 CA BGLN A 148 1.801 -13.020 23.662 0.50 11.79 C ATOM 1199 C GLN A 148 2.928 -13.844 23.040 1.00 11.48 C ATOM 1200 O GLN A 148 4.130 -13.653 23.337 1.00 13.27 O ATOM 1201 CB AGLN A 148 1.825 -11.677 22.721 0.50 11.92 C ATOM 1202 CB BGLN A 148 1.272 -11.896 22.751 0.50 12.76 C ATOM 1203 CG AGLN A 148 0.783 -10.690 23.195 0.50 13.75 C ATOM 1204 CG BGLN A 148 -0.007 -11.235 23.272 0.50 14.49 C ATOM 1205 CD AGLN A 148 -0.633 -11.205 22.985 0.50 11.99 C ATOM 1206 CD BGLN A 148 -0.455 -10.055 22.451 0.50 19.18 C ATOM 1207 OE1AGLN A 148 -0.847 -12.269 22.409 0.50 13.51 O ATOM 1208 OE1BGLN A 148 -1.034 -9.077 23.118 0.50 21.34 O flip ATOM 1209 NE2AGLN A 148 -1.620 -10.423 23.426 0.50 15.68 N ATOM 1210 NE2BGLN A 148 -0.304 -10.031 21.235 0.50 21.84 N flip ATOM 0 H AGLN A 148 2.423 -11.673 25.012 0.50 11.64 H new ATOM 0 H BGLN A 148 2.452 -11.678 24.968 0.50 11.64 H new ATOM 0 HA AGLN A 148 1.021 -13.385 23.615 0.50 11.79 H new ATOM 0 HA BGLN A 148 1.040 -13.609 23.783 0.50 11.79 H new ATOM 0 HB2AGLN A 148 2.696 -11.250 22.719 0.50 12.76 H new ATOM 0 HB2BGLN A 148 1.960 -11.219 22.653 0.50 12.76 H new ATOM 0 HB3AGLN A 148 1.633 -11.934 21.806 0.50 12.76 H new ATOM 0 HB3BGLN A 148 1.103 -12.259 21.868 0.50 12.76 H new ATOM 0 HG2AGLN A 148 0.921 -10.503 24.137 0.50 14.49 H new ATOM 0 HG2BGLN A 148 -0.718 -11.895 23.291 0.50 14.49 H new ATOM 0 HG3AGLN A 148 0.894 -9.851 22.720 0.50 14.49 H new ATOM 0 HG3BGLN A 148 0.137 -10.947 24.187 0.50 14.49 H new ATOM 0 HE21AGLN A 148 -1.437 -9.684 23.826 0.50 21.84 H new ATOM 0 HE21BGLN A 148 0.079 -10.690 20.836 0.50 21.84 H new ATOM 0 HE22AGLN A 148 -2.439 -10.658 23.311 0.50 21.84 H new ATOM 0 HE22BGLN A 148 -0.581 -9.356 20.781 0.50 21.84 H new ATOM 1211 N ARG A 149 2.520 -14.807 22.217 1.00 8.79 N ATOM 1212 CA ARG A 149 3.494 -15.692 21.522 1.00 8.92 C ATOM 1213 C ARG A 149 3.249 -15.594 20.041 1.00 9.66 C ATOM 1214 O ARG A 149 2.091 -15.465 19.601 1.00 10.04 O ATOM 1215 CB ARG A 149 3.357 -17.138 22.044 1.00 8.29 C ATOM 1216 CG ARG A 149 3.659 -17.227 23.520 1.00 8.55 C ATOM 1217 CD ARG A 149 3.464 -18.640 24.052 1.00 8.70 C ATOM 1218 NE ARG A 149 4.426 -19.551 23.390 1.00 8.46 N ATOM 1219 CZ ARG A 149 4.555 -20.849 23.669 1.00 7.80 C ATOM 1220 NH1 ARG A 149 3.869 -21.396 24.666 1.00 9.50 N ATOM 1221 NH2 ARG A 149 5.372 -21.606 22.962 1.00 8.90 N ATOM 0 H ARG A 149 1.695 -14.974 22.040 1.00 8.79 H new ATOM 0 HA ARG A 149 4.405 -15.413 21.702 1.00 8.92 H new ATOM 0 HB2 ARG A 149 2.457 -17.459 21.877 1.00 8.29 H new ATOM 0 HB3 ARG A 149 3.960 -17.718 21.554 1.00 8.29 H new ATOM 0 HG2 ARG A 149 4.573 -16.944 23.681 1.00 8.55 H new ATOM 0 HG3 ARG A 149 3.083 -16.616 24.006 1.00 8.55 H new ATOM 0 HD2 ARG A 149 3.597 -18.656 25.013 1.00 8.70 H new ATOM 0 HD3 ARG A 149 2.555 -18.936 23.886 1.00 8.70 H new ATOM 0 HE ARG A 149 4.937 -19.220 22.783 1.00 8.46 H new ATOM 0 HH11 ARG A 149 3.336 -20.913 25.138 1.00 9.50 H new ATOM 0 HH12 ARG A 149 3.957 -22.234 24.840 1.00 9.50 H new ATOM 0 HH21 ARG A 149 5.826 -21.263 22.317 1.00 8.90 H new ATOM 0 HH22 ARG A 149 5.451 -22.442 23.146 1.00 8.90 H new ATOM 1222 N GLU A 150 4.315 -15.611 19.248 1.00 9.49 N ATOM 1223 CA AGLU A 150 4.180 -15.537 17.802 0.50 10.54 C ATOM 1224 CA BGLU A 150 4.150 -15.536 17.804 0.50 10.86 C ATOM 1225 C GLU A 150 3.919 -16.908 17.217 1.00 10.08 C ATOM 1226 O GLU A 150 4.591 -17.864 17.576 1.00 10.30 O ATOM 1227 CB AGLU A 150 5.454 -14.950 17.198 0.50 11.28 C ATOM 1228 CB BGLU A 150 5.372 -14.891 17.165 0.50 11.65 C ATOM 1229 CG AGLU A 150 5.435 -14.867 15.688 0.50 13.15 C ATOM 1230 CG BGLU A 150 5.574 -13.445 17.549 0.50 15.80 C ATOM 1231 CD AGLU A 150 6.630 -14.150 15.135 0.50 19.47 C ATOM 1232 CD BGLU A 150 4.765 -12.494 16.682 0.50 21.17 C ATOM 1233 OE1AGLU A 150 6.783 -12.939 15.418 0.50 24.27 O ATOM 1234 OE1BGLU A 150 3.793 -12.935 16.046 0.50 23.68 O ATOM 1235 OE2AGLU A 150 7.403 -14.792 14.408 0.50 22.63 O ATOM 1236 OE2BGLU A 150 5.092 -11.290 16.635 0.50 26.27 O ATOM 0 H AGLU A 150 5.126 -15.665 19.530 0.50 9.49 H new ATOM 0 H BGLU A 150 5.129 -15.665 19.521 0.50 9.49 H new ATOM 0 HA AGLU A 150 3.426 -14.965 17.590 0.50 10.86 H new ATOM 0 HA BGLU A 150 3.371 -14.989 17.617 0.50 10.86 H new ATOM 0 HB2AGLU A 150 5.593 -14.061 17.560 0.50 11.65 H new ATOM 0 HB2BGLU A 150 6.161 -15.396 17.416 0.50 11.65 H new ATOM 0 HB3AGLU A 150 6.211 -15.490 17.474 0.50 11.65 H new ATOM 0 HB3BGLU A 150 5.291 -14.952 16.200 0.50 11.65 H new ATOM 0 HG2AGLU A 150 5.400 -15.763 15.319 0.50 15.80 H new ATOM 0 HG2BGLU A 150 5.324 -13.322 18.478 0.50 15.80 H new ATOM 0 HG3AGLU A 150 4.628 -14.411 15.403 0.50 15.80 H new ATOM 0 HG3BGLU A 150 6.515 -13.223 17.476 0.50 15.80 H new ATOM 1237 N LEU A 151 2.961 -17.028 16.310 1.00 9.65 N ATOM 1238 CA LEU A 151 2.680 -18.315 15.675 1.00 9.75 C ATOM 1239 C LEU A 151 3.806 -18.788 14.808 1.00 10.46 C ATOM 1240 O LEU A 151 4.512 -17.971 14.207 1.00 11.29 O ATOM 1241 CB LEU A 151 1.420 -18.149 14.801 1.00 10.50 C ATOM 1242 CG LEU A 151 0.116 -17.968 15.575 1.00 9.82 C ATOM 1243 CD1 LEU A 151 -0.978 -17.352 14.669 1.00 11.99 C ATOM 1244 CD2 LEU A 151 -0.339 -19.288 16.177 1.00 11.23 C ATOM 0 H LEU A 151 2.461 -16.380 16.046 1.00 9.65 H new ATOM 0 HA LEU A 151 2.555 -18.976 16.374 1.00 9.75 H new ATOM 0 HB2 LEU A 151 1.545 -17.382 14.220 1.00 10.50 H new ATOM 0 HB3 LEU A 151 1.335 -18.928 14.229 1.00 10.50 H new ATOM 0 HG LEU A 151 0.275 -17.350 16.305 1.00 9.82 H new ATOM 0 HD11 LEU A 151 -1.797 -17.245 15.177 1.00 11.99 H new ATOM 0 HD12 LEU A 151 -0.682 -16.486 14.347 1.00 11.99 H new ATOM 0 HD13 LEU A 151 -1.141 -17.939 13.914 1.00 11.99 H new ATOM 0 HD21 LEU A 151 -1.167 -19.153 16.664 1.00 11.23 H new ATOM 0 HD22 LEU A 151 -0.482 -19.935 15.468 1.00 11.23 H new ATOM 0 HD23 LEU A 151 0.342 -19.619 16.783 1.00 11.23 H new ATOM 1245 N PRO A 152 4.024 -20.086 14.721 1.00 10.92 N ATOM 1246 CA PRO A 152 5.027 -20.632 13.786 1.00 11.18 C ATOM 1247 C PRO A 152 4.520 -20.485 12.338 1.00 12.23 C ATOM 1248 O PRO A 152 3.342 -20.164 12.116 1.00 10.33 O ATOM 1249 CB PRO A 152 5.096 -22.116 14.186 1.00 13.11 C ATOM 1250 CG PRO A 152 3.690 -22.406 14.747 1.00 12.63 C ATOM 1251 CD PRO A 152 3.264 -21.139 15.430 1.00 11.05 C ATOM 0 HA PRO A 152 5.888 -20.186 13.827 1.00 11.18 H new ATOM 0 HB2 PRO A 152 5.300 -22.682 13.425 1.00 13.11 H new ATOM 0 HB3 PRO A 152 5.785 -22.275 14.850 1.00 13.11 H new ATOM 0 HG2 PRO A 152 3.073 -22.645 14.038 1.00 12.63 H new ATOM 0 HG3 PRO A 152 3.709 -23.150 15.370 1.00 12.63 H new ATOM 0 HD2 PRO A 152 2.307 -20.999 15.356 1.00 11.05 H new ATOM 0 HD3 PRO A 152 3.476 -21.156 16.376 1.00 11.05 H new ATOM 1252 N PRO A 153 5.371 -20.667 11.340 1.00 12.98 N ATOM 1253 CA PRO A 153 4.971 -20.407 9.956 1.00 13.52 C ATOM 1254 C PRO A 153 3.716 -21.143 9.505 1.00 12.35 C ATOM 1255 O PRO A 153 2.901 -20.547 8.799 1.00 13.22 O ATOM 1256 CB PRO A 153 6.214 -20.858 9.165 1.00 15.12 C ATOM 1257 CG PRO A 153 7.314 -20.522 10.093 1.00 16.66 C ATOM 1258 CD PRO A 153 6.824 -20.924 11.472 1.00 14.61 C ATOM 0 HA PRO A 153 4.722 -19.479 9.824 1.00 13.52 H new ATOM 0 HB2 PRO A 153 6.189 -21.806 8.961 1.00 15.12 H new ATOM 0 HB3 PRO A 153 6.296 -20.388 8.320 1.00 15.12 H new ATOM 0 HG2 PRO A 153 8.126 -20.999 9.859 1.00 16.66 H new ATOM 0 HG3 PRO A 153 7.522 -19.575 10.059 1.00 16.66 H new ATOM 0 HD2 PRO A 153 7.016 -21.853 11.673 1.00 14.61 H new ATOM 0 HD3 PRO A 153 7.229 -20.392 12.175 1.00 14.61 H new ATOM 1259 N TRP A 154 3.561 -22.404 9.894 1.00 11.21 N ATOM 1260 CA TRP A 154 2.346 -23.153 9.485 1.00 11.64 C ATOM 1261 C TRP A 154 1.072 -22.520 10.024 1.00 10.97 C ATOM 1262 O TRP A 154 -0.012 -22.770 9.493 1.00 11.49 O ATOM 1263 CB TRP A 154 2.438 -24.639 9.886 1.00 11.27 C ATOM 1264 CG TRP A 154 2.481 -24.890 11.387 1.00 10.53 C ATOM 1265 CD1 TRP A 154 3.597 -25.142 12.147 1.00 11.35 C ATOM 1266 CD2 TRP A 154 1.362 -24.971 12.278 1.00 9.64 C ATOM 1267 NE1 TRP A 154 3.245 -25.328 13.477 1.00 10.04 N ATOM 1268 CE2 TRP A 154 1.868 -25.258 13.564 1.00 9.43 C ATOM 1269 CE3 TRP A 154 -0.014 -24.868 12.113 1.00 9.81 C ATOM 1270 CZ2 TRP A 154 1.032 -25.385 14.680 1.00 9.58 C ATOM 1271 CZ3 TRP A 154 -0.826 -25.060 13.199 1.00 10.30 C ATOM 1272 CH2 TRP A 154 -0.298 -25.272 14.484 1.00 9.23 C ATOM 0 H TRP A 154 4.119 -22.843 10.379 1.00 11.21 H new ATOM 0 HA TRP A 154 2.302 -23.106 8.517 1.00 11.64 H new ATOM 0 HB2 TRP A 154 1.676 -25.110 9.513 1.00 11.27 H new ATOM 0 HB3 TRP A 154 3.233 -25.022 9.483 1.00 11.27 H new ATOM 0 HD1 TRP A 154 4.466 -25.182 11.817 1.00 11.35 H new ATOM 0 HE1 TRP A 154 3.788 -25.463 14.130 1.00 10.04 H new ATOM 0 HE3 TRP A 154 -0.377 -24.672 11.280 1.00 9.81 H new ATOM 0 HZ2 TRP A 154 1.382 -25.542 15.527 1.00 9.58 H new ATOM 0 HZ3 TRP A 154 -1.749 -25.050 13.083 1.00 10.30 H new ATOM 0 HH2 TRP A 154 -0.875 -25.335 15.211 1.00 9.23 H new ATOM 1273 N GLY A 155 1.210 -21.692 11.070 1.00 9.89 N ATOM 1274 CA GLY A 155 0.109 -20.939 11.657 1.00 9.72 C ATOM 1275 C GLY A 155 -0.431 -19.770 10.854 1.00 9.77 C ATOM 1276 O GLY A 155 -1.323 -19.058 11.321 1.00 10.37 O ATOM 0 H GLY A 155 1.964 -21.555 11.460 1.00 9.89 H new ATOM 0 HA2 GLY A 155 -0.622 -21.554 11.823 1.00 9.72 H new ATOM 0 HA3 GLY A 155 0.399 -20.604 12.520 1.00 9.72 H new ATOM 1277 N GLU A 156 0.051 -19.636 9.605 1.00 10.18 N ATOM 1278 CA GLU A 156 -0.572 -18.685 8.694 1.00 10.90 C ATOM 1279 C GLU A 156 -2.066 -18.985 8.525 1.00 9.63 C ATOM 1280 O GLU A 156 -2.839 -18.099 8.167 1.00 10.90 O ATOM 1281 CB GLU A 156 0.164 -18.667 7.346 1.00 11.36 C ATOM 1282 CG GLU A 156 0.213 -19.998 6.642 1.00 13.11 C ATOM 1283 CD GLU A 156 -1.002 -20.349 5.808 1.00 14.15 C ATOM 1284 OE1 GLU A 156 -1.872 -19.481 5.565 1.00 16.89 O ATOM 1285 OE2 GLU A 156 -1.081 -21.510 5.382 1.00 14.71 O ATOM 0 H GLU A 156 0.716 -20.075 9.282 1.00 10.18 H new ATOM 0 HA GLU A 156 -0.500 -17.797 9.079 1.00 10.90 H new ATOM 0 HB2 GLU A 156 -0.267 -18.022 6.764 1.00 11.36 H new ATOM 0 HB3 GLU A 156 1.072 -18.357 7.490 1.00 11.36 H new ATOM 0 HG2 GLU A 156 0.994 -20.012 6.067 1.00 13.11 H new ATOM 0 HG3 GLU A 156 0.339 -20.692 7.308 1.00 13.11 H new ATOM 1286 N ILE A 157 -2.472 -20.225 8.780 1.00 10.08 N ATOM 1287 CA ILE A 157 -3.902 -20.614 8.665 1.00 10.01 C ATOM 1288 C ILE A 157 -4.816 -19.901 9.666 1.00 10.15 C ATOM 1289 O ILE A 157 -6.036 -19.886 9.461 1.00 10.68 O ATOM 1290 CB ILE A 157 -4.090 -22.142 8.832 1.00 9.92 C ATOM 1291 CG1 ILE A 157 -3.627 -22.610 10.232 1.00 10.19 C ATOM 1292 CG2 ILE A 157 -3.314 -22.844 7.710 1.00 10.80 C ATOM 1293 CD1 ILE A 157 -3.712 -24.116 10.485 1.00 9.66 C ATOM 0 H ILE A 157 -1.948 -20.863 9.021 1.00 10.08 H new ATOM 0 HA ILE A 157 -4.162 -20.338 7.772 1.00 10.01 H new ATOM 0 HB ILE A 157 -5.030 -22.372 8.765 1.00 9.92 H new ATOM 0 HG12 ILE A 157 -2.708 -22.327 10.363 1.00 10.19 H new ATOM 0 HG13 ILE A 157 -4.162 -22.155 10.901 1.00 10.19 H new ATOM 0 HG21 ILE A 157 -3.418 -23.805 7.796 1.00 10.80 H new ATOM 0 HG22 ILE A 157 -3.658 -22.557 6.850 1.00 10.80 H new ATOM 0 HG23 ILE A 157 -2.374 -22.615 7.774 1.00 10.80 H new ATOM 0 HD11 ILE A 157 -3.402 -24.311 11.383 1.00 9.66 H new ATOM 0 HD12 ILE A 157 -4.632 -24.409 10.390 1.00 9.66 H new ATOM 0 HD13 ILE A 157 -3.156 -24.584 9.843 1.00 9.66 H new ATOM 1294 N PHE A 158 -4.276 -19.355 10.753 1.00 9.06 N ATOM 1295 CA PHE A 158 -5.120 -18.753 11.778 1.00 9.13 C ATOM 1296 C PHE A 158 -5.538 -17.340 11.413 1.00 9.42 C ATOM 1297 O PHE A 158 -4.819 -16.627 10.701 1.00 10.96 O ATOM 1298 CB PHE A 158 -4.406 -18.842 13.145 1.00 9.99 C ATOM 1299 CG PHE A 158 -4.146 -20.263 13.577 1.00 8.43 C ATOM 1300 CD1 PHE A 158 -2.860 -20.718 13.755 1.00 8.48 C ATOM 1301 CD2 PHE A 158 -5.190 -21.150 13.813 1.00 9.66 C ATOM 1302 CE1 PHE A 158 -2.586 -22.003 14.129 1.00 8.65 C ATOM 1303 CE2 PHE A 158 -4.937 -22.460 14.199 1.00 9.58 C ATOM 1304 CZ PHE A 158 -3.606 -22.884 14.351 1.00 9.01 C ATOM 0 H PHE A 158 -3.432 -19.323 10.914 1.00 9.06 H new ATOM 0 HA PHE A 158 -5.950 -19.252 11.842 1.00 9.13 H new ATOM 0 HB2 PHE A 158 -3.563 -18.364 13.097 1.00 9.99 H new ATOM 0 HB3 PHE A 158 -4.946 -18.398 13.817 1.00 9.99 H new ATOM 0 HD1 PHE A 158 -2.153 -20.130 13.616 1.00 8.48 H new ATOM 0 HD2 PHE A 158 -6.069 -20.863 13.711 1.00 9.66 H new ATOM 0 HE1 PHE A 158 -1.704 -22.278 14.233 1.00 8.65 H new ATOM 0 HE2 PHE A 158 -5.640 -23.049 14.355 1.00 9.58 H new ATOM 0 HZ PHE A 158 -3.420 -23.760 14.602 1.00 9.01 H new ATOM 1305 N SER A 159 -6.713 -16.912 11.876 1.00 9.04 N ATOM 1306 CA SER A 159 -7.199 -15.571 11.610 1.00 8.95 C ATOM 1307 C SER A 159 -6.417 -14.518 12.394 1.00 10.24 C ATOM 1308 O SER A 159 -5.692 -14.810 13.339 1.00 10.30 O ATOM 1309 CB SER A 159 -8.690 -15.468 11.968 1.00 9.20 C ATOM 1310 OG SER A 159 -8.855 -15.152 13.355 1.00 9.77 O ATOM 0 H SER A 159 -7.245 -17.393 12.351 1.00 9.04 H new ATOM 0 HA SER A 159 -7.073 -15.400 10.664 1.00 8.95 H new ATOM 0 HB2 SER A 159 -9.112 -14.785 11.423 1.00 9.20 H new ATOM 0 HB3 SER A 159 -9.135 -16.306 11.767 1.00 9.20 H new ATOM 0 HG SER A 159 -8.832 -15.859 13.808 1.00 9.77 H new ATOM 1311 N GLU A 160 -6.709 -13.266 12.042 1.00 11.03 N ATOM 1312 CA GLU A 160 -6.140 -12.166 12.823 1.00 11.88 C ATOM 1313 C GLU A 160 -6.687 -12.057 14.229 1.00 12.01 C ATOM 1314 O GLU A 160 -6.117 -11.324 15.052 1.00 12.22 O ATOM 1315 CB GLU A 160 -6.318 -10.852 12.091 1.00 14.51 C ATOM 1316 CG GLU A 160 -7.738 -10.355 11.972 1.00 18.00 C ATOM 1317 CD GLU A 160 -7.740 -8.975 11.267 1.00 28.01 C ATOM 1318 OE1 GLU A 160 -6.632 -8.387 11.074 1.00 33.30 O ATOM 1319 OE2 GLU A 160 -8.829 -8.486 10.917 1.00 33.09 O ATOM 0 H GLU A 160 -7.212 -13.037 11.383 1.00 11.03 H new ATOM 0 HA GLU A 160 -5.197 -12.371 12.918 1.00 11.88 H new ATOM 0 HB2 GLU A 160 -5.793 -10.174 12.545 1.00 14.51 H new ATOM 0 HB3 GLU A 160 -5.950 -10.946 11.198 1.00 14.51 H new ATOM 0 HG2 GLU A 160 -8.272 -10.988 11.468 1.00 18.00 H new ATOM 0 HG3 GLU A 160 -8.141 -10.281 12.851 1.00 18.00 H new ATOM 1320 N TYR A 161 -7.765 -12.789 14.526 1.00 10.30 N ATOM 1321 CA ATYR A 161 -8.319 -12.806 15.890 0.48 9.97 C ATOM 1322 CA BTYR A 161 -8.333 -12.809 15.867 0.52 10.12 C ATOM 1323 C TYR A 161 -7.731 -13.921 16.747 1.00 9.54 C ATOM 1324 O TYR A 161 -8.080 -14.087 17.920 1.00 10.01 O ATOM 1325 CB ATYR A 161 -9.849 -12.917 15.886 0.48 10.25 C ATOM 1326 CB BTYR A 161 -9.839 -13.005 15.768 0.52 10.41 C ATOM 1327 CG ATYR A 161 -10.494 -11.669 15.331 0.48 10.34 C ATOM 1328 CG BTYR A 161 -10.509 -12.049 14.781 0.52 11.61 C ATOM 1329 CD1ATYR A 161 -10.842 -11.588 13.992 0.48 12.28 C ATOM 1330 CD1BTYR A 161 -10.797 -10.723 15.128 0.52 11.49 C ATOM 1331 CD2ATYR A 161 -10.672 -10.533 16.120 0.48 13.16 C ATOM 1332 CD2BTYR A 161 -10.813 -12.458 13.479 0.52 12.21 C ATOM 1333 CE1ATYR A 161 -11.400 -10.449 13.457 0.48 14.30 C ATOM 1334 CE1BTYR A 161 -11.402 -9.820 14.212 0.52 11.59 C ATOM 1335 CE2ATYR A 161 -11.240 -9.392 15.587 0.48 12.93 C ATOM 1336 CE2BTYR A 161 -11.415 -11.552 12.568 0.52 13.52 C ATOM 1337 CZ ATYR A 161 -11.566 -9.367 14.254 0.48 14.12 C ATOM 1338 CZ BTYR A 161 -11.706 -10.267 12.956 0.52 15.27 C ATOM 1339 OH ATYR A 161 -12.114 -8.252 13.687 0.48 17.75 O ATOM 1340 OH BTYR A 161 -12.310 -9.389 12.079 0.52 18.09 O ATOM 0 H ATYR A 161 -8.188 -13.279 13.960 0.48 10.30 H new ATOM 0 H BTYR A 161 -8.181 -13.282 13.957 0.52 10.30 H new ATOM 0 HA ATYR A 161 -8.067 -11.956 16.283 0.48 10.12 H new ATOM 0 HA BTYR A 161 -8.121 -11.961 16.287 0.52 10.12 H new ATOM 0 HB2ATYR A 161 -10.117 -13.684 15.356 0.48 10.41 H new ATOM 0 HB2BTYR A 161 -10.023 -13.919 15.499 0.52 10.41 H new ATOM 0 HB3ATYR A 161 -10.166 -13.072 16.790 0.48 10.41 H new ATOM 0 HB3BTYR A 161 -10.233 -12.883 16.646 0.52 10.41 H new ATOM 0 HD1ATYR A 161 -10.695 -12.322 13.441 0.48 11.49 H new ATOM 0 HD1BTYR A 161 -10.586 -10.424 15.983 0.52 11.49 H new ATOM 0 HD2ATYR A 161 -10.406 -10.544 17.011 0.48 12.21 H new ATOM 0 HD2BTYR A 161 -10.620 -13.327 13.209 0.52 12.21 H new ATOM 0 HE1ATYR A 161 -11.658 -10.423 12.564 0.48 11.59 H new ATOM 0 HE1BTYR A 161 -11.587 -8.944 14.462 0.52 11.59 H new ATOM 0 HE2ATYR A 161 -11.399 -8.650 16.125 0.48 13.52 H new ATOM 0 HE2BTYR A 161 -11.614 -11.830 11.703 0.52 13.52 H new ATOM 0 HH ATYR A 161 -12.173 -7.644 14.264 0.48 18.09 H new ATOM 0 HH BTYR A 161 -12.066 -8.605 12.255 0.52 18.09 H new ATOM 1341 N CYS A 162 -6.809 -14.685 16.200 1.00 8.60 N ATOM 1342 CA CYS A 162 -6.256 -15.832 16.933 1.00 9.43 C ATOM 1343 C CYS A 162 -5.590 -15.386 18.214 1.00 9.22 C ATOM 1344 O CYS A 162 -4.826 -14.376 18.244 1.00 9.86 O ATOM 1345 CB CYS A 162 -5.175 -16.517 16.087 1.00 8.46 C ATOM 1346 SG CYS A 162 -4.576 -18.093 16.695 1.00 9.81 S ATOM 0 H CYS A 162 -6.484 -14.568 15.412 1.00 8.60 H new ATOM 0 HA CYS A 162 -6.992 -16.434 17.127 1.00 9.43 H new ATOM 0 HB2 CYS A 162 -5.526 -16.649 15.192 1.00 8.46 H new ATOM 0 HB3 CYS A 162 -4.420 -15.913 16.010 1.00 8.46 H new ATOM 0 HG CYS A 162 -3.741 -18.520 15.946 1.00 9.81 H new ATOM 1347 N LEU A 163 -5.823 -16.121 19.305 1.00 8.19 N ATOM 1348 CA LEU A 163 -5.107 -15.933 20.563 1.00 9.11 C ATOM 1349 C LEU A 163 -3.995 -16.963 20.642 1.00 8.66 C ATOM 1350 O LEU A 163 -4.196 -18.156 20.327 1.00 8.68 O ATOM 1351 CB LEU A 163 -6.030 -16.177 21.760 1.00 10.22 C ATOM 1352 CG LEU A 163 -7.344 -15.376 21.695 1.00 13.62 C ATOM 1353 CD1 LEU A 163 -8.242 -15.782 22.889 1.00 15.08 C ATOM 1354 CD2 LEU A 163 -7.134 -13.896 21.649 1.00 14.87 C ATOM 0 H LEU A 163 -6.409 -16.750 19.332 1.00 8.19 H new ATOM 0 HA LEU A 163 -4.768 -15.025 20.589 1.00 9.11 H new ATOM 0 HB2 LEU A 163 -6.238 -17.123 21.811 1.00 10.22 H new ATOM 0 HB3 LEU A 163 -5.558 -15.946 22.576 1.00 10.22 H new ATOM 0 HG LEU A 163 -7.785 -15.597 20.860 1.00 13.62 H new ATOM 0 HD11 LEU A 163 -9.072 -15.281 22.855 1.00 15.08 H new ATOM 0 HD12 LEU A 163 -8.435 -16.731 22.841 1.00 15.08 H new ATOM 0 HD13 LEU A 163 -7.782 -15.588 23.721 1.00 15.08 H new ATOM 0 HD21 LEU A 163 -7.993 -13.448 21.609 1.00 14.87 H new ATOM 0 HD22 LEU A 163 -6.658 -13.612 22.445 1.00 14.87 H new ATOM 0 HD23 LEU A 163 -6.614 -13.667 20.863 1.00 14.87 H new ATOM 1355 N PHE A 164 -2.807 -16.515 21.078 1.00 8.32 N ATOM 1356 CA PHE A 164 -1.707 -17.429 21.355 1.00 8.95 C ATOM 1357 C PHE A 164 -0.894 -16.780 22.450 1.00 7.86 C ATOM 1358 O PHE A 164 -0.159 -15.796 22.176 1.00 9.67 O ATOM 1359 CB PHE A 164 -0.863 -17.709 20.100 1.00 8.96 C ATOM 1360 CG PHE A 164 0.310 -18.653 20.310 1.00 8.22 C ATOM 1361 CD1 PHE A 164 1.352 -18.630 19.424 1.00 8.56 C ATOM 1362 CD2 PHE A 164 0.402 -19.559 21.409 1.00 8.65 C ATOM 1363 CE1 PHE A 164 2.435 -19.490 19.539 1.00 8.32 C ATOM 1364 CE2 PHE A 164 1.492 -20.437 21.526 1.00 8.13 C ATOM 1365 CZ PHE A 164 2.505 -20.396 20.600 1.00 9.35 C ATOM 0 H PHE A 164 -2.626 -15.686 21.217 1.00 8.32 H new ATOM 0 HA PHE A 164 -2.036 -18.298 21.634 1.00 8.95 H new ATOM 0 HB2 PHE A 164 -1.441 -18.080 19.415 1.00 8.96 H new ATOM 0 HB3 PHE A 164 -0.525 -16.866 19.760 1.00 8.96 H new ATOM 0 HD1 PHE A 164 1.334 -18.019 18.723 1.00 8.56 H new ATOM 0 HD2 PHE A 164 -0.267 -19.568 22.055 1.00 8.65 H new ATOM 0 HE1 PHE A 164 3.117 -19.463 18.907 1.00 8.32 H new ATOM 0 HE2 PHE A 164 1.528 -21.045 22.229 1.00 8.13 H new ATOM 0 HZ PHE A 164 3.234 -20.968 20.679 1.00 9.35 H new ATOM 1366 N ILE A 165 -1.034 -17.267 23.690 1.00 8.35 N ATOM 1367 CA ILE A 165 -0.418 -16.636 24.865 1.00 8.41 C ATOM 1368 C ILE A 165 0.126 -17.668 25.827 1.00 8.87 C ATOM 1369 O ILE A 165 -0.225 -18.864 25.757 1.00 8.57 O ATOM 1370 CB ILE A 165 -1.470 -15.778 25.628 1.00 9.46 C ATOM 1371 CG1 ILE A 165 -2.556 -16.670 26.281 1.00 9.27 C ATOM 1372 CG2 ILE A 165 -2.098 -14.731 24.683 1.00 10.78 C ATOM 1373 CD1 ILE A 165 -3.525 -15.898 27.169 1.00 11.71 C ATOM 0 H ILE A 165 -1.489 -17.973 23.873 1.00 8.35 H new ATOM 0 HA ILE A 165 0.309 -16.081 24.542 1.00 8.41 H new ATOM 0 HB ILE A 165 -1.016 -15.306 26.344 1.00 9.46 H new ATOM 0 HG12 ILE A 165 -3.057 -17.120 25.583 1.00 9.27 H new ATOM 0 HG13 ILE A 165 -2.124 -17.359 26.809 1.00 9.27 H new ATOM 0 HG21 ILE A 165 -2.750 -14.205 25.171 1.00 10.78 H new ATOM 0 HG22 ILE A 165 -1.404 -14.147 24.339 1.00 10.78 H new ATOM 0 HG23 ILE A 165 -2.535 -15.183 23.944 1.00 10.78 H new ATOM 0 HD11 ILE A 165 -4.177 -16.510 27.546 1.00 11.71 H new ATOM 0 HD12 ILE A 165 -3.034 -15.467 27.886 1.00 11.71 H new ATOM 0 HD13 ILE A 165 -3.982 -15.225 26.641 1.00 11.71 H new ATOM 1374 N ARG A 166 0.970 -17.208 26.733 1.00 8.37 N ATOM 1375 CA AARG A 166 1.168 -17.875 28.002 0.44 8.81 C ATOM 1376 CA BARG A 166 1.174 -17.868 28.008 0.56 8.86 C ATOM 1377 C ARG A 166 0.393 -17.043 29.021 1.00 9.57 C ATOM 1378 O ARG A 166 0.738 -15.889 29.264 1.00 9.44 O ATOM 1379 CB AARG A 166 2.652 -17.925 28.357 0.44 8.51 C ATOM 1380 CB BARG A 166 2.651 -17.860 28.370 0.56 8.49 C ATOM 1381 CG AARG A 166 2.885 -18.651 29.666 0.44 8.47 C ATOM 1382 CG BARG A 166 2.898 -18.388 29.774 0.56 9.22 C ATOM 1383 CD AARG A 166 4.353 -18.844 30.011 0.44 8.55 C ATOM 1384 CD BARG A 166 4.366 -18.222 30.210 0.56 11.06 C ATOM 1385 NE AARG A 166 4.499 -19.213 31.422 0.44 14.43 N ATOM 1386 NE BARG A 166 4.679 -19.018 31.402 0.56 13.50 N ATOM 1387 CZ AARG A 166 4.825 -20.427 31.834 0.44 17.41 C ATOM 1388 CZ BARG A 166 4.637 -18.562 32.641 0.56 15.41 C ATOM 1389 NH1AARG A 166 4.902 -20.661 33.145 0.44 20.39 N ATOM 1390 NH1BARG A 166 4.299 -17.296 32.876 0.56 15.26 N ATOM 1391 NH2AARG A 166 5.057 -21.412 30.961 0.44 17.14 N ATOM 1392 NH2BARG A 166 4.961 -19.384 33.647 0.56 15.42 N ATOM 0 H AARG A 166 1.445 -16.499 26.628 0.44 8.37 H new ATOM 0 H BARG A 166 1.444 -16.499 26.625 0.56 8.37 H new ATOM 0 HA AARG A 166 0.859 -18.794 27.980 0.44 8.86 H new ATOM 0 HA BARG A 166 0.881 -18.792 27.986 0.56 8.86 H new ATOM 0 HB2AARG A 166 3.141 -18.370 27.647 0.44 8.49 H new ATOM 0 HB2BARG A 166 3.142 -18.400 27.731 0.56 8.49 H new ATOM 0 HB3AARG A 166 3.002 -17.022 28.419 0.44 8.49 H new ATOM 0 HB3BARG A 166 2.995 -16.956 28.301 0.56 8.49 H new ATOM 0 HG2AARG A 166 2.456 -18.155 30.381 0.44 9.22 H new ATOM 0 HG2BARG A 166 2.322 -17.921 30.399 0.56 9.22 H new ATOM 0 HG3AARG A 166 2.455 -19.519 29.625 0.44 9.22 H new ATOM 0 HG3BARG A 166 2.655 -19.326 29.812 0.56 9.22 H new ATOM 0 HD2AARG A 166 4.736 -19.535 29.448 0.44 11.06 H new ATOM 0 HD2BARG A 166 4.950 -18.487 29.483 0.56 11.06 H new ATOM 0 HD3AARG A 166 4.844 -18.027 29.831 0.44 11.06 H new ATOM 0 HD3BARG A 166 4.545 -17.286 30.391 0.56 11.06 H new ATOM 0 HE AARG A 166 4.365 -18.606 32.016 0.44 13.50 H new ATOM 0 HE BARG A 166 4.906 -19.839 31.286 0.56 13.50 H new ATOM 0 HH11AARG A 166 4.741 -20.028 33.705 0.44 15.26 H new ATOM 0 HH11BARG A 166 4.107 -16.773 32.220 0.56 15.26 H new ATOM 0 HH12AARG A 166 5.113 -21.444 33.430 0.44 15.26 H new ATOM 0 HH12BARG A 166 4.272 -17.001 33.683 0.56 15.26 H new ATOM 0 HH21AARG A 166 4.995 -21.262 30.117 0.44 15.42 H new ATOM 0 HH21BARG A 166 5.192 -20.196 33.482 0.56 15.42 H new ATOM 0 HH22AARG A 166 5.268 -22.196 31.244 0.44 15.42 H new ATOM 0 HH22BARG A 166 4.938 -19.100 34.459 0.56 15.42 H new ATOM 1393 N PRO A 167 -0.665 -17.591 29.634 1.00 9.30 N ATOM 1394 CA PRO A 167 -1.403 -16.761 30.617 1.00 10.47 C ATOM 1395 C PRO A 167 -0.485 -16.339 31.757 1.00 11.38 C ATOM 1396 O PRO A 167 0.299 -17.137 32.256 1.00 13.23 O ATOM 1397 CB PRO A 167 -2.517 -17.720 31.107 1.00 11.46 C ATOM 1398 CG PRO A 167 -2.661 -18.708 29.955 1.00 11.13 C ATOM 1399 CD PRO A 167 -1.249 -18.940 29.472 1.00 9.16 C ATOM 0 HA PRO A 167 -1.753 -15.935 30.249 1.00 10.47 H new ATOM 0 HB2 PRO A 167 -2.268 -18.166 31.932 1.00 11.46 H new ATOM 0 HB3 PRO A 167 -3.346 -17.247 31.279 1.00 11.46 H new ATOM 0 HG2 PRO A 167 -3.073 -19.535 30.249 1.00 11.13 H new ATOM 0 HG3 PRO A 167 -3.220 -18.348 29.249 1.00 11.13 H new ATOM 0 HD2 PRO A 167 -0.785 -19.606 30.003 1.00 9.16 H new ATOM 0 HD3 PRO A 167 -1.222 -19.243 28.551 1.00 9.16 H new ATOM 1400 N SER A 168 -0.570 -15.100 32.189 1.00 12.55 N ATOM 1401 CA ASER A 168 0.348 -14.554 33.193 0.50 14.02 C ATOM 1402 CA BSER A 168 0.397 -14.657 33.194 0.50 13.67 C ATOM 1403 C SER A 168 -0.140 -14.783 34.609 1.00 14.63 C ATOM 1404 O SER A 168 0.646 -14.731 35.584 1.00 16.83 O ATOM 1405 CB ASER A 168 0.517 -13.052 32.987 0.50 15.24 C ATOM 1406 CB BSER A 168 0.850 -13.229 32.936 0.50 14.58 C ATOM 1407 OG ASER A 168 1.105 -12.780 31.737 0.50 17.87 O ATOM 1408 OG BSER A 168 -0.237 -12.364 33.149 0.50 15.95 O ATOM 0 H ASER A 168 -1.161 -14.540 31.913 0.50 12.55 H new ATOM 0 H BSER A 168 -1.148 -14.516 31.934 0.50 12.55 H new ATOM 0 HA ASER A 168 1.192 -15.018 33.078 0.50 13.67 H new ATOM 0 HA BSER A 168 1.162 -15.248 33.114 0.50 13.67 H new ATOM 0 HB2ASER A 168 -0.347 -12.615 33.044 0.50 14.58 H new ATOM 0 HB2BSER A 168 1.584 -12.998 33.526 0.50 14.58 H new ATOM 0 HB3ASER A 168 1.069 -12.685 33.695 0.50 14.58 H new ATOM 0 HB3BSER A 168 1.178 -13.139 32.027 0.50 14.58 H new ATOM 0 HG ASER A 168 0.511 -12.771 31.144 0.50 15.95 H new ATOM 0 HG BSER A 168 0.039 -11.572 33.191 0.50 15.95 H new ATOM 1409 N ASN A 169 -1.429 -14.950 34.760 1.00 13.60 N ATOM 1410 CA ASN A 169 -2.076 -15.001 36.086 1.00 14.47 C ATOM 1411 C ASN A 169 -3.505 -15.520 35.928 1.00 14.55 C ATOM 1412 O ASN A 169 -3.974 -15.782 34.797 1.00 12.90 O ATOM 1413 CB ASN A 169 -2.045 -13.599 36.747 1.00 14.62 C ATOM 1414 CG ASN A 169 -2.635 -12.506 35.881 1.00 15.88 C ATOM 1415 OD1 ASN A 169 -3.651 -12.702 35.221 1.00 14.67 O ATOM 1416 ND2 ASN A 169 -2.005 -11.340 35.865 1.00 19.64 N ATOM 0 H ASN A 169 -1.975 -15.040 34.102 1.00 13.60 H new ATOM 0 HA ASN A 169 -1.593 -15.608 36.669 1.00 14.47 H new ATOM 0 HB2 ASN A 169 -2.531 -13.634 37.586 1.00 14.62 H new ATOM 0 HB3 ASN A 169 -1.127 -13.371 36.961 1.00 14.62 H new ATOM 0 HD21 ASN A 169 -2.307 -10.695 35.383 1.00 19.64 H new ATOM 0 HD22 ASN A 169 -1.295 -11.229 36.337 1.00 19.64 H new ATOM 1417 N VAL A 170 -4.224 -15.691 37.029 1.00 14.61 N ATOM 1418 CA VAL A 170 -5.571 -16.235 37.001 1.00 15.78 C ATOM 1419 C VAL A 170 -6.517 -15.309 36.220 1.00 14.07 C ATOM 1420 O VAL A 170 -7.391 -15.782 35.482 1.00 13.25 O ATOM 1421 CB VAL A 170 -6.108 -16.462 38.449 1.00 17.44 C ATOM 1422 CG1 VAL A 170 -7.635 -16.652 38.480 1.00 19.48 C ATOM 1423 CG2 VAL A 170 -5.413 -17.638 38.995 1.00 20.45 C ATOM 0 H VAL A 170 -3.942 -15.493 37.817 1.00 14.61 H new ATOM 0 HA VAL A 170 -5.538 -17.092 36.549 1.00 15.78 H new ATOM 0 HB VAL A 170 -5.931 -15.677 38.991 1.00 17.44 H new ATOM 0 HG11 VAL A 170 -7.926 -16.790 39.395 1.00 19.48 H new ATOM 0 HG12 VAL A 170 -8.067 -15.862 38.119 1.00 19.48 H new ATOM 0 HG13 VAL A 170 -7.876 -17.424 37.945 1.00 19.48 H new ATOM 0 HG21 VAL A 170 -5.724 -17.808 39.898 1.00 20.45 H new ATOM 0 HG22 VAL A 170 -5.598 -18.411 38.439 1.00 20.45 H new ATOM 0 HG23 VAL A 170 -4.457 -17.472 39.009 1.00 20.45 H new ATOM 1424 N THR A 171 -6.355 -14.007 36.365 1.00 13.70 N ATOM 1425 CA THR A 171 -7.183 -13.057 35.619 1.00 14.05 C ATOM 1426 C THR A 171 -7.080 -13.305 34.090 1.00 13.27 C ATOM 1427 O THR A 171 -8.102 -13.353 33.400 1.00 12.89 O ATOM 1428 CB THR A 171 -6.786 -11.620 35.953 1.00 16.17 C ATOM 1429 OG1 THR A 171 -7.028 -11.368 37.352 1.00 18.30 O ATOM 1430 CG2 THR A 171 -7.564 -10.599 35.132 1.00 17.52 C ATOM 0 H THR A 171 -5.775 -13.646 36.887 1.00 13.70 H new ATOM 0 HA THR A 171 -8.106 -13.194 35.885 1.00 14.05 H new ATOM 0 HB THR A 171 -5.845 -11.524 35.740 1.00 16.17 H new ATOM 0 HG1 THR A 171 -6.809 -10.578 37.537 1.00 18.30 H new ATOM 0 HG21 THR A 171 -7.281 -9.704 35.376 1.00 17.52 H new ATOM 0 HG22 THR A 171 -7.394 -10.745 34.188 1.00 17.52 H new ATOM 0 HG23 THR A 171 -8.513 -10.697 35.309 1.00 17.52 H new ATOM 1431 N GLU A 172 -5.855 -13.511 33.608 1.00 11.42 N ATOM 1432 CA GLU A 172 -5.652 -13.803 32.184 1.00 11.21 C ATOM 1433 C GLU A 172 -6.188 -15.166 31.802 1.00 11.23 C ATOM 1434 O GLU A 172 -6.785 -15.314 30.727 1.00 11.56 O ATOM 1435 CB GLU A 172 -4.200 -13.691 31.834 1.00 10.62 C ATOM 1436 CG GLU A 172 -3.723 -12.240 31.806 1.00 11.59 C ATOM 1437 CD GLU A 172 -2.438 -12.069 31.041 1.00 12.22 C ATOM 1438 OE1 GLU A 172 -2.068 -10.913 30.755 1.00 13.21 O ATOM 1439 OE2 GLU A 172 -1.807 -13.069 30.678 1.00 12.42 O ATOM 0 H GLU A 172 -5.136 -13.487 34.079 1.00 11.42 H new ATOM 0 HA GLU A 172 -6.152 -13.145 31.676 1.00 11.21 H new ATOM 0 HB2 GLU A 172 -3.674 -14.190 32.478 1.00 10.62 H new ATOM 0 HB3 GLU A 172 -4.046 -14.097 30.967 1.00 10.62 H new ATOM 0 HG2 GLU A 172 -4.410 -11.685 31.406 1.00 11.59 H new ATOM 0 HG3 GLU A 172 -3.599 -11.926 32.715 1.00 11.59 H new ATOM 1440 N GLU A 173 -6.043 -16.166 32.667 1.00 10.63 N ATOM 1441 CA GLU A 173 -6.655 -17.478 32.369 1.00 10.29 C ATOM 1442 C GLU A 173 -8.147 -17.323 32.177 1.00 11.42 C ATOM 1443 O GLU A 173 -8.750 -17.871 31.243 1.00 11.00 O ATOM 1444 CB GLU A 173 -6.398 -18.465 33.519 1.00 10.68 C ATOM 1445 CG GLU A 173 -4.948 -18.829 33.705 1.00 12.18 C ATOM 1446 CD GLU A 173 -4.698 -19.852 34.758 1.00 15.43 C ATOM 1447 OE1 GLU A 173 -5.640 -20.463 35.307 1.00 17.60 O ATOM 1448 OE2 GLU A 173 -3.496 -20.055 35.105 1.00 21.01 O ATOM 0 H GLU A 173 -5.611 -16.119 33.409 1.00 10.63 H new ATOM 0 HA GLU A 173 -6.254 -17.822 31.555 1.00 10.29 H new ATOM 0 HB2 GLU A 173 -6.733 -18.080 34.344 1.00 10.68 H new ATOM 0 HB3 GLU A 173 -6.907 -19.275 33.357 1.00 10.68 H new ATOM 0 HG2 GLU A 173 -4.598 -19.157 32.862 1.00 12.18 H new ATOM 0 HG3 GLU A 173 -4.450 -18.026 33.926 1.00 12.18 H new ATOM 1449 N GLU A 174 -8.786 -16.599 33.081 1.00 12.00 N ATOM 1450 CA GLU A 174 -10.238 -16.424 33.018 1.00 12.04 C ATOM 1451 C GLU A 174 -10.652 -15.556 31.829 1.00 11.62 C ATOM 1452 O GLU A 174 -11.647 -15.869 31.162 1.00 12.05 O ATOM 1453 CB GLU A 174 -10.786 -15.903 34.357 1.00 14.36 C ATOM 1454 CG GLU A 174 -10.564 -16.972 35.425 1.00 16.66 C ATOM 1455 CD GLU A 174 -11.153 -16.631 36.780 1.00 21.70 C ATOM 1456 OE1 GLU A 174 -11.297 -17.588 37.585 1.00 22.98 O ATOM 1457 OE2 GLU A 174 -11.424 -15.445 37.033 1.00 21.82 O ATOM 0 H GLU A 174 -8.404 -16.199 33.740 1.00 12.00 H new ATOM 0 HA GLU A 174 -10.641 -17.293 32.867 1.00 12.04 H new ATOM 0 HB2 GLU A 174 -10.338 -15.080 34.607 1.00 14.36 H new ATOM 0 HB3 GLU A 174 -11.731 -15.698 34.277 1.00 14.36 H new ATOM 0 HG2 GLU A 174 -10.950 -17.807 35.117 1.00 16.66 H new ATOM 0 HG3 GLU A 174 -9.611 -17.120 35.526 1.00 16.66 H new ATOM 1458 N ARG A 175 -9.861 -14.554 31.496 1.00 11.02 N ATOM 1459 CA ARG A 175 -10.152 -13.724 30.309 1.00 11.43 C ATOM 1460 C ARG A 175 -10.077 -14.554 29.028 1.00 10.56 C ATOM 1461 O ARG A 175 -10.898 -14.371 28.102 1.00 10.74 O ATOM 1462 CB ARG A 175 -9.162 -12.554 30.258 1.00 12.17 C ATOM 1463 CG ARG A 175 -9.303 -11.596 29.090 1.00 15.36 C ATOM 1464 CD ARG A 175 -8.236 -10.494 29.115 1.00 17.99 C ATOM 1465 NE ARG A 175 -8.398 -9.725 30.338 1.00 18.62 N ATOM 1466 CZ ARG A 175 -7.404 -9.172 31.021 1.00 22.58 C ATOM 1467 NH1 ARG A 175 -6.161 -9.205 30.548 1.00 20.16 N ATOM 1468 NH2 ARG A 175 -7.692 -8.523 32.145 1.00 24.32 N ATOM 0 H ARG A 175 -9.154 -14.328 31.930 1.00 11.02 H new ATOM 0 HA ARG A 175 -11.055 -13.378 30.378 1.00 11.43 H new ATOM 0 HB2 ARG A 175 -9.251 -12.046 31.079 1.00 12.17 H new ATOM 0 HB3 ARG A 175 -8.263 -12.918 30.245 1.00 12.17 H new ATOM 0 HG2 ARG A 175 -9.236 -12.090 28.258 1.00 15.36 H new ATOM 0 HG3 ARG A 175 -10.184 -11.192 29.110 1.00 15.36 H new ATOM 0 HD2 ARG A 175 -7.348 -10.883 29.076 1.00 17.99 H new ATOM 0 HD3 ARG A 175 -8.327 -9.918 28.340 1.00 17.99 H new ATOM 0 HE ARG A 175 -9.196 -9.621 30.641 1.00 18.62 H new ATOM 0 HH11 ARG A 175 -5.998 -9.587 29.795 1.00 20.16 H new ATOM 0 HH12 ARG A 175 -5.521 -8.845 30.995 1.00 20.16 H new ATOM 0 HH21 ARG A 175 -8.507 -8.469 32.414 1.00 24.32 H new ATOM 0 HH22 ARG A 175 -7.063 -8.157 32.603 1.00 24.32 H new ATOM 1469 N PHE A 176 -9.063 -15.428 28.946 1.00 9.75 N ATOM 1470 CA PHE A 176 -8.915 -16.300 27.792 1.00 8.83 C ATOM 1471 C PHE A 176 -10.117 -17.232 27.673 1.00 9.32 C ATOM 1472 O PHE A 176 -10.719 -17.352 26.600 1.00 9.33 O ATOM 1473 CB PHE A 176 -7.610 -17.080 27.898 1.00 9.92 C ATOM 1474 CG PHE A 176 -7.399 -18.059 26.755 1.00 9.41 C ATOM 1475 CD1 PHE A 176 -8.012 -19.304 26.761 1.00 9.81 C ATOM 1476 CD2 PHE A 176 -6.604 -17.697 25.671 1.00 10.96 C ATOM 1477 CE1 PHE A 176 -7.811 -20.200 25.694 1.00 10.67 C ATOM 1478 CE2 PHE A 176 -6.439 -18.635 24.613 1.00 11.37 C ATOM 1479 CZ PHE A 176 -7.059 -19.812 24.659 1.00 11.20 C ATOM 0 H PHE A 176 -8.458 -15.525 29.549 1.00 9.75 H new ATOM 0 HA PHE A 176 -8.881 -15.763 26.985 1.00 8.83 H new ATOM 0 HB2 PHE A 176 -6.868 -16.455 27.921 1.00 9.92 H new ATOM 0 HB3 PHE A 176 -7.598 -17.566 28.738 1.00 9.92 H new ATOM 0 HD1 PHE A 176 -8.558 -19.548 27.473 1.00 9.81 H new ATOM 0 HD2 PHE A 176 -6.191 -16.864 25.639 1.00 10.96 H new ATOM 0 HE1 PHE A 176 -8.195 -21.047 25.709 1.00 10.67 H new ATOM 0 HE2 PHE A 176 -5.896 -18.425 23.888 1.00 11.37 H new ATOM 0 HZ PHE A 176 -6.965 -20.391 23.938 1.00 11.20 H new ATOM 1480 N VAL A 177 -10.515 -17.883 28.755 1.00 9.63 N ATOM 1481 CA VAL A 177 -11.669 -18.801 28.713 1.00 10.37 C ATOM 1482 C VAL A 177 -12.909 -18.038 28.304 1.00 10.02 C ATOM 1483 O VAL A 177 -13.689 -18.536 27.477 1.00 10.75 O ATOM 1484 CB VAL A 177 -11.842 -19.570 30.030 1.00 11.01 C ATOM 1485 CG1 VAL A 177 -13.115 -20.399 29.966 1.00 12.61 C ATOM 1486 CG2 VAL A 177 -10.649 -20.488 30.262 1.00 14.26 C ATOM 0 H VAL A 177 -10.139 -17.815 29.526 1.00 9.63 H new ATOM 0 HA VAL A 177 -11.505 -19.482 28.042 1.00 10.37 H new ATOM 0 HB VAL A 177 -11.900 -18.937 30.762 1.00 11.01 H new ATOM 0 HG11 VAL A 177 -13.226 -20.886 30.797 1.00 12.61 H new ATOM 0 HG12 VAL A 177 -13.876 -19.813 29.830 1.00 12.61 H new ATOM 0 HG13 VAL A 177 -13.056 -21.027 29.229 1.00 12.61 H new ATOM 0 HG21 VAL A 177 -10.768 -20.969 31.096 1.00 14.26 H new ATOM 0 HG22 VAL A 177 -10.581 -21.122 29.531 1.00 14.26 H new ATOM 0 HG23 VAL A 177 -9.837 -19.959 30.307 1.00 14.26 H new ATOM 1487 N GLN A 178 -13.112 -16.830 28.830 1.00 10.51 N ATOM 1488 CA GLN A 178 -14.271 -16.045 28.432 1.00 11.32 C ATOM 1489 C GLN A 178 -14.249 -15.685 26.949 1.00 10.78 C ATOM 1490 O GLN A 178 -15.296 -15.715 26.291 1.00 10.29 O ATOM 1491 CB GLN A 178 -14.386 -14.764 29.279 1.00 12.88 C ATOM 1492 CG GLN A 178 -15.604 -13.901 28.884 1.00 16.07 C ATOM 1493 CD GLN A 178 -16.907 -14.631 29.139 1.00 18.59 C ATOM 1494 OE1 GLN A 178 -17.750 -14.810 28.210 1.00 19.93 O ATOM 1495 NE2 GLN A 178 -17.062 -15.137 30.349 1.00 20.99 N ATOM 0 H GLN A 178 -12.598 -16.455 29.409 1.00 10.51 H new ATOM 0 HA GLN A 178 -15.049 -16.603 28.589 1.00 11.32 H new ATOM 0 HB2 GLN A 178 -14.454 -15.005 30.216 1.00 12.88 H new ATOM 0 HB3 GLN A 178 -13.576 -14.240 29.179 1.00 12.88 H new ATOM 0 HG2 GLN A 178 -15.592 -13.072 29.388 1.00 16.07 H new ATOM 0 HG3 GLN A 178 -15.543 -13.663 27.946 1.00 16.07 H new ATOM 0 HE21 GLN A 178 -16.468 -14.994 30.954 1.00 20.99 H new ATOM 0 HE22 GLN A 178 -17.757 -15.610 30.532 1.00 20.99 H new ATOM 1496 N ARG A 179 -13.076 -15.409 26.393 1.00 9.90 N ATOM 1497 CA AARG A 179 -13.002 -15.110 24.967 0.50 9.80 C ATOM 1498 CA BARG A 179 -13.021 -15.106 24.989 0.50 10.38 C ATOM 1499 C ARG A 179 -13.348 -16.346 24.149 1.00 9.74 C ATOM 1500 O ARG A 179 -13.995 -16.237 23.097 1.00 10.04 O ATOM 1501 CB AARG A 179 -11.627 -14.515 24.593 0.50 11.51 C ATOM 1502 CB BARG A 179 -11.676 -14.455 24.646 0.50 12.32 C ATOM 1503 CG AARG A 179 -11.529 -13.947 23.153 0.50 11.30 C ATOM 1504 CG BARG A 179 -11.710 -13.814 23.298 0.50 15.10 C ATOM 1505 CD AARG A 179 -12.765 -13.100 22.706 0.50 9.92 C ATOM 1506 CD BARG A 179 -10.753 -12.674 23.133 0.50 19.61 C ATOM 1507 NE AARG A 179 -13.214 -12.058 23.649 0.50 13.76 N ATOM 1508 NE BARG A 179 -10.770 -12.379 21.715 0.50 22.22 N ATOM 1509 CZ AARG A 179 -12.793 -10.785 23.693 0.50 15.42 C ATOM 1510 CZ BARG A 179 -11.372 -11.339 21.160 0.50 23.05 C ATOM 1511 NH1AARG A 179 -11.857 -10.334 22.886 0.50 14.01 N ATOM 1512 NH1BARG A 179 -11.968 -10.427 21.912 0.50 24.02 N ATOM 1513 NH2AARG A 179 -13.281 -9.955 24.610 0.50 17.16 N ATOM 1514 NH2BARG A 179 -11.364 -11.230 19.853 0.50 19.40 N ATOM 0 H AARG A 179 -12.325 -15.389 26.812 0.50 9.90 H new ATOM 0 H BARG A 179 -12.322 -15.394 26.806 0.50 9.90 H new ATOM 0 HA AARG A 179 -13.661 -14.430 24.754 0.50 10.38 H new ATOM 0 HA BARG A 179 -13.705 -14.456 24.765 0.50 10.38 H new ATOM 0 HB2AARG A 179 -11.414 -13.807 25.221 0.50 12.32 H new ATOM 0 HB2BARG A 179 -11.456 -13.790 25.317 0.50 12.32 H new ATOM 0 HB3AARG A 179 -10.952 -15.203 24.702 0.50 12.32 H new ATOM 0 HB3BARG A 179 -10.975 -15.125 24.670 0.50 12.32 H new ATOM 0 HG2AARG A 179 -10.733 -13.396 23.088 0.50 15.10 H new ATOM 0 HG2BARG A 179 -11.514 -14.486 22.627 0.50 15.10 H new ATOM 0 HG3AARG A 179 -11.415 -14.685 22.533 0.50 15.10 H new ATOM 0 HG3BARG A 179 -12.610 -13.495 23.126 0.50 15.10 H new ATOM 0 HD2AARG A 179 -12.554 -12.675 21.860 0.50 19.61 H new ATOM 0 HD2BARG A 179 -11.028 -11.905 23.656 0.50 19.61 H new ATOM 0 HD3AARG A 179 -13.506 -13.704 22.543 0.50 19.61 H new ATOM 0 HD3BARG A 179 -9.862 -12.916 23.432 0.50 19.61 H new ATOM 0 HE AARG A 179 -13.805 -12.290 24.229 0.50 22.22 H new ATOM 0 HE BARG A 179 -10.356 -12.922 21.192 0.50 22.22 H new ATOM 0 HH11AARG A 179 -11.497 -10.860 22.309 0.50 24.02 H new ATOM 0 HH11BARG A 179 -11.966 -10.508 22.768 0.50 24.02 H new ATOM 0 HH12AARG A 179 -11.606 -9.513 22.935 0.50 24.02 H new ATOM 0 HH12BARG A 179 -12.357 -9.754 21.544 0.50 24.02 H new ATOM 0 HH21AARG A 179 -13.866 -10.234 25.175 0.50 19.40 H new ATOM 0 HH21BARG A 179 -10.973 -11.828 19.374 0.50 19.40 H new ATOM 0 HH22AARG A 179 -13.011 -9.139 24.638 0.50 19.40 H new ATOM 0 HH22BARG A 179 -11.750 -10.561 19.475 0.50 19.40 H new ATOM 1515 N VAL A 180 -12.919 -17.517 24.600 1.00 9.77 N ATOM 1516 CA VAL A 180 -13.316 -18.758 23.905 1.00 9.75 C ATOM 1517 C VAL A 180 -14.848 -18.962 23.983 1.00 9.96 C ATOM 1518 O VAL A 180 -15.476 -19.298 22.986 1.00 9.74 O ATOM 1519 CB VAL A 180 -12.597 -19.944 24.489 1.00 10.12 C ATOM 1520 CG1 VAL A 180 -13.139 -21.230 23.838 1.00 12.84 C ATOM 1521 CG2 VAL A 180 -11.055 -19.810 24.240 1.00 11.90 C ATOM 0 H VAL A 180 -12.412 -17.625 25.286 1.00 9.77 H new ATOM 0 HA VAL A 180 -13.066 -18.676 22.971 1.00 9.75 H new ATOM 0 HB VAL A 180 -12.749 -19.982 25.446 1.00 10.12 H new ATOM 0 HG11 VAL A 180 -12.680 -21.999 24.210 1.00 12.84 H new ATOM 0 HG12 VAL A 180 -14.090 -21.306 24.013 1.00 12.84 H new ATOM 0 HG13 VAL A 180 -12.989 -21.196 22.880 1.00 12.84 H new ATOM 0 HG21 VAL A 180 -10.598 -20.577 24.619 1.00 11.90 H new ATOM 0 HG22 VAL A 180 -10.883 -19.770 23.286 1.00 11.90 H new ATOM 0 HG23 VAL A 180 -10.728 -18.999 24.661 1.00 11.90 H new ATOM 1522 N VAL A 181 -15.426 -18.716 25.154 1.00 9.31 N ATOM 1523 CA VAL A 181 -16.893 -18.768 25.285 1.00 10.71 C ATOM 1524 C VAL A 181 -17.521 -17.804 24.281 1.00 10.39 C ATOM 1525 O VAL A 181 -18.529 -18.165 23.616 1.00 10.69 O ATOM 1526 CB VAL A 181 -17.300 -18.454 26.725 1.00 11.11 C ATOM 1527 CG1 VAL A 181 -18.835 -18.222 26.846 1.00 13.98 C ATOM 1528 CG2 VAL A 181 -16.860 -19.604 27.603 1.00 13.26 C ATOM 0 H VAL A 181 -15.003 -18.520 25.876 1.00 9.31 H new ATOM 0 HA VAL A 181 -17.218 -19.660 25.085 1.00 10.71 H new ATOM 0 HB VAL A 181 -16.869 -17.633 27.010 1.00 11.11 H new ATOM 0 HG11 VAL A 181 -19.061 -18.026 27.769 1.00 13.98 H new ATOM 0 HG12 VAL A 181 -19.095 -17.475 26.284 1.00 13.98 H new ATOM 0 HG13 VAL A 181 -19.307 -19.020 26.561 1.00 13.98 H new ATOM 0 HG21 VAL A 181 -17.110 -19.423 28.523 1.00 13.26 H new ATOM 0 HG22 VAL A 181 -17.290 -20.421 27.306 1.00 13.26 H new ATOM 0 HG23 VAL A 181 -15.897 -19.706 27.544 1.00 13.26 H new ATOM 1529 N ASP A 182 -16.984 -16.598 24.179 1.00 10.19 N ATOM 1530 CA ASP A 182 -17.535 -15.629 23.235 1.00 9.65 C ATOM 1531 C ASP A 182 -17.413 -16.108 21.790 1.00 9.07 C ATOM 1532 O ASP A 182 -18.360 -15.938 20.994 1.00 11.08 O ATOM 1533 CB ASP A 182 -16.812 -14.259 23.355 1.00 11.82 C ATOM 1534 CG ASP A 182 -17.014 -13.567 24.700 1.00 17.35 C ATOM 1535 OD1 ASP A 182 -17.966 -13.906 25.422 1.00 20.11 O ATOM 1536 OD2 ASP A 182 -16.121 -12.729 24.992 1.00 20.70 O ATOM 0 H ASP A 182 -16.311 -16.320 24.637 1.00 10.19 H new ATOM 0 HA ASP A 182 -18.473 -15.532 23.461 1.00 9.65 H new ATOM 0 HB2 ASP A 182 -15.862 -14.391 23.209 1.00 11.82 H new ATOM 0 HB3 ASP A 182 -17.129 -13.673 22.650 1.00 11.82 H new ATOM 1537 N PHE A 183 -16.255 -16.691 21.455 1.00 8.61 N ATOM 1538 CA PHE A 183 -16.084 -17.216 20.096 1.00 8.48 C ATOM 1539 C PHE A 183 -17.176 -18.300 19.830 1.00 7.88 C ATOM 1540 O PHE A 183 -17.746 -18.338 18.730 1.00 9.14 O ATOM 1541 CB PHE A 183 -14.727 -17.898 19.933 1.00 9.13 C ATOM 1542 CG PHE A 183 -13.529 -16.991 19.798 1.00 9.34 C ATOM 1543 CD1 PHE A 183 -13.595 -15.600 19.774 1.00 13.06 C ATOM 1544 CD2 PHE A 183 -12.277 -17.571 19.663 1.00 10.91 C ATOM 1545 CE1 PHE A 183 -12.447 -14.801 19.641 1.00 13.28 C ATOM 1546 CE2 PHE A 183 -11.103 -16.784 19.539 1.00 11.77 C ATOM 1547 CZ PHE A 183 -11.186 -15.416 19.514 1.00 12.40 C ATOM 0 H PHE A 183 -15.580 -16.790 21.979 1.00 8.61 H new ATOM 0 HA PHE A 183 -16.153 -16.471 19.478 1.00 8.48 H new ATOM 0 HB2 PHE A 183 -14.585 -18.477 20.698 1.00 9.13 H new ATOM 0 HB3 PHE A 183 -14.766 -18.468 19.149 1.00 9.13 H new ATOM 0 HD1 PHE A 183 -14.425 -15.187 19.848 1.00 13.06 H new ATOM 0 HD2 PHE A 183 -12.205 -18.498 19.653 1.00 10.91 H new ATOM 0 HE1 PHE A 183 -12.519 -13.874 19.637 1.00 13.28 H new ATOM 0 HE2 PHE A 183 -10.273 -17.198 19.474 1.00 11.77 H new ATOM 0 HZ PHE A 183 -10.419 -14.900 19.414 1.00 12.40 H new ATOM 1548 N LEU A 184 -17.365 -19.208 20.790 1.00 8.41 N ATOM 1549 CA LEU A 184 -18.352 -20.287 20.615 1.00 9.92 C ATOM 1550 C LEU A 184 -19.767 -19.726 20.528 1.00 10.41 C ATOM 1551 O LEU A 184 -20.571 -20.283 19.760 1.00 9.99 O ATOM 1552 CB LEU A 184 -18.255 -21.265 21.764 1.00 10.07 C ATOM 1553 CG LEU A 184 -17.000 -22.147 21.703 1.00 9.27 C ATOM 1554 CD1 LEU A 184 -16.855 -22.831 23.068 1.00 11.89 C ATOM 1555 CD2 LEU A 184 -17.071 -23.134 20.543 1.00 12.24 C ATOM 0 H LEU A 184 -16.942 -19.221 21.539 1.00 8.41 H new ATOM 0 HA LEU A 184 -18.156 -20.746 19.783 1.00 9.92 H new ATOM 0 HB2 LEU A 184 -18.258 -20.774 22.600 1.00 10.07 H new ATOM 0 HB3 LEU A 184 -19.042 -21.832 21.766 1.00 10.07 H new ATOM 0 HG LEU A 184 -16.209 -21.614 21.529 1.00 9.27 H new ATOM 0 HD11 LEU A 184 -16.068 -23.398 23.064 1.00 11.89 H new ATOM 0 HD12 LEU A 184 -16.764 -22.157 23.760 1.00 11.89 H new ATOM 0 HD13 LEU A 184 -17.641 -23.371 23.245 1.00 11.89 H new ATOM 0 HD21 LEU A 184 -16.267 -23.676 20.530 1.00 12.24 H new ATOM 0 HD22 LEU A 184 -17.845 -23.708 20.653 1.00 12.24 H new ATOM 0 HD23 LEU A 184 -17.146 -22.647 19.708 1.00 12.24 H new ATOM 1556 N GLN A 185 -20.090 -18.662 21.271 1.00 9.82 N ATOM 1557 CA GLN A 185 -21.420 -18.100 21.184 1.00 10.67 C ATOM 1558 C GLN A 185 -21.667 -17.505 19.808 1.00 10.11 C ATOM 1559 O GLN A 185 -22.729 -17.692 19.190 1.00 11.03 O ATOM 1560 CB GLN A 185 -21.593 -17.015 22.253 1.00 14.13 C ATOM 1561 CG GLN A 185 -21.829 -17.490 23.650 1.00 20.07 C ATOM 1562 CD GLN A 185 -22.050 -16.339 24.647 1.00 24.61 C ATOM 1563 OE1 GLN A 185 -22.161 -15.103 24.146 1.00 34.53 O flip ATOM 1564 NE2 GLN A 185 -22.132 -16.580 25.857 1.00 24.13 N flip ATOM 0 H GLN A 185 -19.559 -18.265 21.818 1.00 9.82 H new ATOM 0 HA GLN A 185 -22.064 -18.810 21.332 1.00 10.67 H new ATOM 0 HB2 GLN A 185 -20.799 -16.457 22.252 1.00 14.13 H new ATOM 0 HB3 GLN A 185 -22.337 -16.449 21.994 1.00 14.13 H new ATOM 0 HG2 GLN A 185 -22.603 -18.074 23.661 1.00 20.07 H new ATOM 0 HG3 GLN A 185 -21.070 -18.020 23.939 1.00 20.07 H new ATOM 0 HE21 GLN A 185 -22.055 -17.388 26.141 1.00 24.13 H new ATOM 0 HE22 GLN A 185 -22.266 -15.939 26.415 1.00 24.13 H new ATOM 1565 N ILE A 186 -20.691 -16.762 19.301 1.00 10.47 N ATOM 1566 CA ILE A 186 -20.774 -16.225 17.948 1.00 9.65 C ATOM 1567 C ILE A 186 -20.940 -17.352 16.900 1.00 9.75 C ATOM 1568 O ILE A 186 -21.787 -17.300 16.007 1.00 9.53 O ATOM 1569 CB ILE A 186 -19.524 -15.372 17.619 1.00 9.91 C ATOM 1570 CG1 ILE A 186 -19.513 -14.099 18.489 1.00 10.78 C ATOM 1571 CG2 ILE A 186 -19.463 -15.070 16.127 1.00 11.46 C ATOM 1572 CD1 ILE A 186 -18.170 -13.331 18.455 1.00 12.95 C ATOM 0 H ILE A 186 -19.971 -16.557 19.724 1.00 10.47 H new ATOM 0 HA ILE A 186 -21.560 -15.658 17.908 1.00 9.65 H new ATOM 0 HB ILE A 186 -18.721 -15.872 17.833 1.00 9.91 H new ATOM 0 HG12 ILE A 186 -20.222 -13.508 18.191 1.00 10.78 H new ATOM 0 HG13 ILE A 186 -19.714 -14.342 19.406 1.00 10.78 H new ATOM 0 HG21 ILE A 186 -18.676 -14.536 15.937 1.00 11.46 H new ATOM 0 HG22 ILE A 186 -19.417 -15.902 15.630 1.00 11.46 H new ATOM 0 HG23 ILE A 186 -20.257 -14.580 15.863 1.00 11.46 H new ATOM 0 HD11 ILE A 186 -18.232 -12.545 19.021 1.00 12.95 H new ATOM 0 HD12 ILE A 186 -17.460 -13.907 18.779 1.00 12.95 H new ATOM 0 HD13 ILE A 186 -17.976 -13.059 17.544 1.00 12.95 H new ATOM 1573 N HIS A 187 -20.069 -18.355 17.034 1.00 8.01 N ATOM 1574 CA HIS A 187 -20.029 -19.438 16.070 1.00 9.08 C ATOM 1575 C HIS A 187 -21.333 -20.241 16.046 1.00 9.18 C ATOM 1576 O HIS A 187 -21.907 -20.526 14.976 1.00 9.46 O ATOM 1577 CB HIS A 187 -18.868 -20.336 16.464 1.00 8.89 C ATOM 1578 CG HIS A 187 -18.450 -21.338 15.433 1.00 8.01 C ATOM 1579 ND1 HIS A 187 -18.297 -21.009 14.114 1.00 8.22 N ATOM 1580 CD2 HIS A 187 -18.031 -22.622 15.564 1.00 9.06 C ATOM 1581 CE1 HIS A 187 -17.834 -22.059 13.459 1.00 8.52 C ATOM 1582 NE2 HIS A 187 -17.651 -23.048 14.327 1.00 9.60 N ATOM 0 H HIS A 187 -19.499 -18.421 17.674 1.00 8.01 H new ATOM 0 HA HIS A 187 -19.916 -19.076 15.177 1.00 9.08 H new ATOM 0 HB2 HIS A 187 -18.105 -19.777 16.677 1.00 8.89 H new ATOM 0 HB3 HIS A 187 -19.107 -20.811 17.275 1.00 8.89 H new ATOM 0 HD2 HIS A 187 -18.008 -23.118 16.350 1.00 9.06 H new ATOM 0 HE1 HIS A 187 -17.665 -22.099 12.545 1.00 8.52 H new ATOM 0 HE2 HIS A 187 -17.343 -23.829 14.139 1.00 9.60 H new ATOM 1583 N CYS A 188 -21.858 -20.582 17.220 1.00 9.44 N ATOM 1584 CA ACYS A 188 -23.112 -21.315 17.267 0.70 10.17 C ATOM 1585 CA BCYS A 188 -23.099 -21.344 17.180 0.30 11.72 C ATOM 1586 C CYS A 188 -24.262 -20.484 16.701 1.00 10.23 C ATOM 1587 O CYS A 188 -25.150 -21.003 16.000 1.00 11.58 O ATOM 1588 CB ACYS A 188 -23.365 -21.816 18.710 0.70 11.08 C ATOM 1589 CB BCYS A 188 -23.411 -21.999 18.508 0.30 12.47 C ATOM 1590 SG ACYS A 188 -22.233 -23.262 19.114 0.70 13.41 S ATOM 1591 SG BCYS A 188 -23.565 -20.798 19.739 0.30 23.78 S ATOM 0 H ACYS A 188 -21.510 -20.401 17.985 0.70 9.44 H new ATOM 0 H BCYS A 188 -21.539 -20.398 17.997 0.30 9.44 H new ATOM 0 HA ACYS A 188 -23.054 -22.097 16.696 0.70 11.72 H new ATOM 0 HA BCYS A 188 -22.971 -22.058 16.536 0.30 11.72 H new ATOM 0 HB2ACYS A 188 -23.214 -21.094 19.340 0.70 12.47 H new ATOM 0 HB2BCYS A 188 -24.233 -22.510 18.440 0.30 12.47 H new ATOM 0 HB3ACYS A 188 -24.291 -22.087 18.806 0.70 12.47 H new ATOM 0 HB3BCYS A 188 -22.707 -22.624 18.742 0.30 12.47 H new ATOM 0 HG ACYS A 188 -22.443 -23.634 20.236 0.70 23.78 H new ATOM 0 HG BCYS A 188 -24.407 -20.004 19.421 0.30 23.78 H new ATOM 1592 N HIS A 189 -24.288 -19.185 16.986 1.00 9.95 N ATOM 1593 CA HIS A 189 -25.301 -18.316 16.431 1.00 10.62 C ATOM 1594 C HIS A 189 -25.216 -18.239 14.906 1.00 10.00 C ATOM 1595 O HIS A 189 -26.231 -18.403 14.170 1.00 10.16 O ATOM 1596 CB HIS A 189 -25.275 -16.923 17.039 1.00 11.67 C ATOM 1597 CG HIS A 189 -26.370 -16.098 16.516 1.00 12.56 C ATOM 1598 ND1 HIS A 189 -27.671 -16.252 16.947 1.00 14.09 N ATOM 1599 CD2 HIS A 189 -26.392 -15.226 15.494 1.00 13.62 C ATOM 1600 CE1 HIS A 189 -28.445 -15.436 16.242 1.00 16.04 C ATOM 1601 NE2 HIS A 189 -27.692 -14.787 15.376 1.00 13.99 N ATOM 0 H HIS A 189 -23.723 -18.792 17.501 1.00 9.95 H new ATOM 0 HA HIS A 189 -26.152 -18.718 16.666 1.00 10.62 H new ATOM 0 HB2 HIS A 189 -25.347 -16.987 18.004 1.00 11.67 H new ATOM 0 HB3 HIS A 189 -24.425 -16.498 16.845 1.00 11.67 H new ATOM 0 HD2 HIS A 189 -25.669 -14.969 14.968 1.00 13.62 H new ATOM 0 HE1 HIS A 189 -29.364 -15.338 16.342 1.00 16.04 H new ATOM 0 HE2 HIS A 189 -27.968 -14.186 14.826 1.00 13.99 H new ATOM 1602 N GLN A 190 -23.989 -18.028 14.399 1.00 10.01 N ATOM 1603 CA GLN A 190 -23.840 -17.978 12.950 1.00 9.89 C ATOM 1604 C GLN A 190 -24.231 -19.287 12.288 1.00 11.16 C ATOM 1605 O GLN A 190 -24.725 -19.307 11.134 1.00 12.45 O ATOM 1606 CB GLN A 190 -22.430 -17.544 12.536 1.00 11.64 C ATOM 1607 CG GLN A 190 -22.072 -16.122 12.942 1.00 13.60 C ATOM 1608 CD GLN A 190 -23.046 -15.088 12.414 1.00 16.52 C ATOM 1609 OE1 GLN A 190 -23.306 -15.184 11.162 1.00 18.39 O flip ATOM 1610 NE2 GLN A 190 -23.527 -14.203 13.144 1.00 13.97 N flip ATOM 0 H GLN A 190 -23.269 -17.917 14.856 1.00 10.01 H new ATOM 0 HA GLN A 190 -24.458 -17.301 12.632 1.00 9.89 H new ATOM 0 HB2 GLN A 190 -21.786 -18.154 12.929 1.00 11.64 H new ATOM 0 HB3 GLN A 190 -22.347 -17.626 11.573 1.00 11.64 H new ATOM 0 HG2 GLN A 190 -22.043 -16.066 13.910 1.00 13.60 H new ATOM 0 HG3 GLN A 190 -21.181 -15.914 12.619 1.00 13.60 H new ATOM 0 HE21 GLN A 190 -23.324 -14.177 13.979 1.00 13.97 H new ATOM 0 HE22 GLN A 190 -24.062 -13.617 12.813 1.00 13.97 H new ATOM 1611 N SER A 191 -24.063 -20.415 12.990 1.00 10.21 N ATOM 1612 CA SER A 191 -24.462 -21.680 12.411 1.00 12.00 C ATOM 1613 C SER A 191 -25.966 -21.738 12.155 1.00 13.07 C ATOM 1614 O SER A 191 -26.384 -22.486 11.263 1.00 16.40 O ATOM 1615 CB SER A 191 -23.966 -22.834 13.283 1.00 12.64 C ATOM 1616 OG SER A 191 -24.769 -23.066 14.386 1.00 14.88 O ATOM 0 H SER A 191 -23.728 -20.460 13.781 1.00 10.21 H new ATOM 0 HA SER A 191 -24.044 -21.768 11.540 1.00 12.00 H new ATOM 0 HB2 SER A 191 -23.921 -23.641 12.747 1.00 12.64 H new ATOM 0 HB3 SER A 191 -23.063 -22.642 13.582 1.00 12.64 H new ATOM 0 HG SER A 191 -24.834 -22.362 14.839 1.00 14.88 H new ATOM 1617 N ILE A 192 -26.792 -21.043 12.949 1.00 11.43 N ATOM 1618 CA ILE A 192 -28.236 -21.000 12.751 1.00 13.42 C ATOM 1619 C ILE A 192 -28.558 -20.145 11.502 1.00 13.99 C ATOM 1620 O ILE A 192 -29.476 -20.506 10.738 1.00 18.17 O ATOM 1621 CB ILE A 192 -29.000 -20.397 14.006 1.00 13.65 C ATOM 1622 CG1 ILE A 192 -28.825 -21.221 15.248 1.00 16.62 C ATOM 1623 CG2 ILE A 192 -30.514 -20.176 13.671 1.00 14.23 C ATOM 1624 CD1 ILE A 192 -29.257 -20.447 16.480 1.00 18.02 C ATOM 0 H ILE A 192 -26.521 -20.581 13.622 1.00 11.43 H new ATOM 0 HA ILE A 192 -28.541 -21.913 12.631 1.00 13.42 H new ATOM 0 HB ILE A 192 -28.597 -19.536 14.199 1.00 13.65 H new ATOM 0 HG12 ILE A 192 -29.345 -22.036 15.175 1.00 16.62 H new ATOM 0 HG13 ILE A 192 -27.896 -21.485 15.337 1.00 16.62 H new ATOM 0 HG21 ILE A 192 -30.967 -19.808 14.446 1.00 14.23 H new ATOM 0 HG22 ILE A 192 -30.594 -19.559 12.927 1.00 14.23 H new ATOM 0 HG23 ILE A 192 -30.920 -21.024 13.432 1.00 14.23 H new ATOM 0 HD11 ILE A 192 -29.135 -20.999 17.268 1.00 18.02 H new ATOM 0 HD12 ILE A 192 -28.720 -19.643 16.562 1.00 18.02 H new ATOM 0 HD13 ILE A 192 -30.192 -20.204 16.398 1.00 18.02 H new ATOM 1625 N VAL A 193 -27.828 -19.056 11.302 1.00 14.01 N ATOM 1626 CA VAL A 193 -28.248 -18.047 10.289 1.00 18.04 C ATOM 1627 C VAL A 193 -27.517 -18.251 8.946 1.00 20.96 C ATOM 1628 O VAL A 193 -27.725 -17.389 8.056 1.00 21.47 O ATOM 1629 CB VAL A 193 -28.166 -16.602 10.777 1.00 19.80 C ATOM 1630 CG1 VAL A 193 -29.056 -16.414 11.991 1.00 19.54 C ATOM 1631 CG2 VAL A 193 -26.757 -16.179 11.089 1.00 20.00 C ATOM 0 H VAL A 193 -27.101 -18.870 11.722 1.00 14.01 H new ATOM 0 HA VAL A 193 -29.193 -18.207 10.139 1.00 18.04 H new ATOM 0 HB VAL A 193 -28.477 -16.034 10.055 1.00 19.80 H new ATOM 0 HG11 VAL A 193 -28.999 -15.495 12.295 1.00 19.54 H new ATOM 0 HG12 VAL A 193 -29.974 -16.619 11.754 1.00 19.54 H new ATOM 0 HG13 VAL A 193 -28.765 -17.008 12.701 1.00 19.54 H new ATOM 0 HG21 VAL A 193 -26.755 -15.258 11.394 1.00 20.00 H new ATOM 0 HG22 VAL A 193 -26.394 -16.750 11.784 1.00 20.00 H new ATOM 0 HG23 VAL A 193 -26.212 -16.256 10.291 1.00 20.00 H new ATOM 1632 N ALA A 194 -26.777 -19.385 8.823 1.00 22.03 N ATOM 1633 CA ALA A 194 -26.117 -19.881 7.571 1.00 24.34 C ATOM 1634 C ALA A 194 -26.982 -20.865 6.668 1.00 25.20 C ATOM 1635 O ALA A 194 -27.640 -21.804 7.151 1.00 25.59 O ATOM 1636 CB ALA A 194 -24.738 -20.512 7.937 1.00 23.36 C ATOM 0 H ALA A 194 -26.640 -19.908 9.492 1.00 22.03 H new ATOM 0 HA ALA A 194 -26.005 -19.101 7.005 1.00 24.34 H new ATOM 0 HB1 ALA A 194 -24.306 -20.835 7.131 1.00 23.36 H new ATOM 0 HB2 ALA A 194 -24.177 -19.842 8.358 1.00 23.36 H new ATOM 0 HB3 ALA A 194 -24.873 -21.252 8.550 1.00 23.36 H new ATOM 1637 N GLU A 195 -26.912 -20.725 5.349 1.00 28.34 N ATOM 1638 CA GLU A 195 -27.641 -21.666 4.459 1.00 29.03 C ATOM 1639 C GLU A 195 -26.733 -22.463 3.546 1.00 28.97 C ATOM 1640 O GLU A 195 -25.528 -22.155 3.443 1.00 28.49 O ATOM 1641 CB GLU A 195 -28.675 -20.966 3.600 1.00 30.33 C ATOM 1642 CG GLU A 195 -28.173 -19.766 2.807 1.00 32.64 C ATOM 1643 CD GLU A 195 -29.342 -18.920 2.249 1.00 35.67 C ATOM 1644 OE1 GLU A 195 -30.216 -19.507 1.574 1.00 40.43 O ATOM 1645 OE2 GLU A 195 -29.403 -17.685 2.498 1.00 35.45 O ATOM 0 H GLU A 195 -26.464 -20.113 4.944 1.00 28.34 H new ATOM 0 HA GLU A 195 -28.079 -22.277 5.072 1.00 29.03 H new ATOM 0 HB2 GLU A 195 -29.045 -21.612 2.978 1.00 30.33 H new ATOM 0 HB3 GLU A 195 -29.402 -20.674 4.172 1.00 30.33 H new ATOM 0 HG2 GLU A 195 -27.615 -19.212 3.376 1.00 32.64 H new ATOM 0 HG3 GLU A 195 -27.616 -20.072 2.074 1.00 32.64 H new ATOM 1646 N PRO A 196 -27.292 -23.508 2.887 1.00 28.92 N ATOM 1647 CA PRO A 196 -26.463 -24.256 1.966 1.00 27.99 C ATOM 1648 C PRO A 196 -25.964 -23.345 0.848 1.00 26.48 C ATOM 1649 O PRO A 196 -26.723 -22.525 0.312 1.00 26.21 O ATOM 1650 CB PRO A 196 -27.420 -25.338 1.448 1.00 28.54 C ATOM 1651 CG PRO A 196 -28.259 -25.628 2.626 1.00 28.65 C ATOM 1652 CD PRO A 196 -28.549 -24.234 3.169 1.00 29.49 C ATOM 0 HA PRO A 196 -25.663 -24.632 2.365 1.00 27.99 H new ATOM 0 HB2 PRO A 196 -27.949 -25.021 0.699 1.00 28.54 H new ATOM 0 HB3 PRO A 196 -26.942 -26.126 1.145 1.00 28.54 H new ATOM 0 HG2 PRO A 196 -29.072 -26.099 2.384 1.00 28.65 H new ATOM 0 HG3 PRO A 196 -27.794 -26.180 3.275 1.00 28.65 H new ATOM 0 HD2 PRO A 196 -29.309 -23.825 2.725 1.00 29.49 H new ATOM 0 HD3 PRO A 196 -28.750 -24.251 4.118 1.00 29.49 H new ATOM 1653 N LEU A 197 -24.690 -23.472 0.510 1.00 23.95 N ATOM 1654 CA LEU A 197 -24.034 -22.546 -0.409 1.00 23.42 C ATOM 1655 C LEU A 197 -24.100 -23.172 -1.788 1.00 21.37 C ATOM 1656 O LEU A 197 -24.471 -24.346 -1.914 1.00 21.52 O ATOM 1657 CB LEU A 197 -22.569 -22.297 0.020 1.00 21.47 C ATOM 1658 CG LEU A 197 -22.373 -21.438 1.282 1.00 22.33 C ATOM 1659 CD1 LEU A 197 -20.886 -21.444 1.540 1.00 23.92 C ATOM 1660 CD2 LEU A 197 -22.851 -20.040 1.098 1.00 24.71 C ATOM 0 H LEU A 197 -24.178 -24.097 0.805 1.00 23.95 H new ATOM 0 HA LEU A 197 -24.477 -21.683 -0.406 1.00 23.42 H new ATOM 0 HB2 LEU A 197 -22.143 -23.156 0.165 1.00 21.47 H new ATOM 0 HB3 LEU A 197 -22.103 -21.870 -0.716 1.00 21.47 H new ATOM 0 HG LEU A 197 -22.887 -21.799 2.021 1.00 22.33 H new ATOM 0 HD11 LEU A 197 -20.692 -20.915 2.330 1.00 23.92 H new ATOM 0 HD12 LEU A 197 -20.585 -22.356 1.680 1.00 23.92 H new ATOM 0 HD13 LEU A 197 -20.423 -21.065 0.776 1.00 23.92 H new ATOM 0 HD21 LEU A 197 -22.708 -19.539 1.916 1.00 24.71 H new ATOM 0 HD22 LEU A 197 -22.360 -19.623 0.373 1.00 24.71 H new ATOM 0 HD23 LEU A 197 -23.797 -20.047 0.885 1.00 24.71 H new ATOM 1661 N SER A 198 -23.622 -22.421 -2.780 1.00 22.24 N ATOM 1662 CA SER A 198 -23.510 -22.906 -4.164 1.00 21.82 C ATOM 1663 C SER A 198 -22.447 -23.992 -4.236 1.00 20.87 C ATOM 1664 O SER A 198 -21.592 -24.086 -3.331 1.00 19.36 O ATOM 1665 CB SER A 198 -23.131 -21.763 -5.117 1.00 20.93 C ATOM 1666 OG SER A 198 -21.729 -21.534 -5.150 1.00 20.01 O ATOM 0 H SER A 198 -23.351 -21.612 -2.672 1.00 22.24 H new ATOM 0 HA SER A 198 -24.371 -23.263 -4.434 1.00 21.82 H new ATOM 0 HB2 SER A 198 -23.444 -21.972 -6.011 1.00 20.93 H new ATOM 0 HB3 SER A 198 -23.583 -20.951 -4.841 1.00 20.93 H new ATOM 0 HG SER A 198 -21.569 -20.841 -5.596 1.00 20.01 H new ATOM 1667 N GLU A 199 -22.464 -24.804 -5.292 1.00 21.81 N ATOM 1668 CA GLU A 199 -21.494 -25.878 -5.420 1.00 21.06 C ATOM 1669 C GLU A 199 -20.056 -25.326 -5.509 1.00 18.57 C ATOM 1670 O GLU A 199 -19.146 -25.898 -4.888 1.00 18.13 O ATOM 1671 CB GLU A 199 -21.789 -26.801 -6.622 1.00 23.30 C ATOM 1672 CG GLU A 199 -21.141 -28.202 -6.470 1.00 27.49 C ATOM 1673 CD GLU A 199 -21.503 -29.205 -7.583 1.00 33.91 C ATOM 1674 OE1 GLU A 199 -22.410 -28.914 -8.399 1.00 34.66 O ATOM 1675 OE2 GLU A 199 -20.868 -30.295 -7.625 1.00 37.07 O ATOM 0 H GLU A 199 -23.027 -24.747 -5.939 1.00 21.81 H new ATOM 0 HA GLU A 199 -21.573 -26.415 -4.616 1.00 21.06 H new ATOM 0 HB2 GLU A 199 -22.749 -26.901 -6.721 1.00 23.30 H new ATOM 0 HB3 GLU A 199 -21.462 -26.383 -7.434 1.00 23.30 H new ATOM 0 HG2 GLU A 199 -20.177 -28.098 -6.447 1.00 27.49 H new ATOM 0 HG3 GLU A 199 -21.407 -28.576 -5.615 1.00 27.49 H new ATOM 1676 N ALA A 200 -19.871 -24.212 -6.231 1.00 17.49 N ATOM 1677 CA ALA A 200 -18.544 -23.604 -6.363 1.00 17.59 C ATOM 1678 C ALA A 200 -18.065 -23.090 -4.999 1.00 16.16 C ATOM 1679 O ALA A 200 -16.890 -23.223 -4.631 1.00 15.92 O ATOM 1680 CB ALA A 200 -18.529 -22.480 -7.406 1.00 17.60 C ATOM 0 H ALA A 200 -20.498 -23.797 -6.649 1.00 17.49 H new ATOM 0 HA ALA A 200 -17.932 -24.289 -6.676 1.00 17.59 H new ATOM 0 HB1 ALA A 200 -17.637 -22.104 -7.464 1.00 17.60 H new ATOM 0 HB2 ALA A 200 -18.786 -22.837 -8.271 1.00 17.60 H new ATOM 0 HB3 ALA A 200 -19.155 -21.787 -7.144 1.00 17.60 H new ATOM 1681 N GLN A 201 -18.997 -22.503 -4.227 1.00 16.56 N ATOM 1682 CA GLN A 201 -18.635 -21.953 -2.903 1.00 16.99 C ATOM 1683 C GLN A 201 -18.358 -23.064 -1.946 1.00 16.06 C ATOM 1684 O GLN A 201 -17.419 -22.943 -1.148 1.00 15.68 O ATOM 1685 CB GLN A 201 -19.751 -21.074 -2.361 1.00 17.65 C ATOM 1686 CG GLN A 201 -19.887 -19.774 -3.101 1.00 20.39 C ATOM 1687 CD GLN A 201 -21.206 -19.074 -2.744 1.00 22.65 C ATOM 1688 OE1 GLN A 201 -22.231 -19.711 -2.540 1.00 25.01 O ATOM 1689 NE2 GLN A 201 -21.155 -17.769 -2.671 1.00 26.54 N ATOM 0 H GLN A 201 -19.825 -22.414 -4.443 1.00 16.56 H new ATOM 0 HA GLN A 201 -17.837 -21.411 -3.006 1.00 16.99 H new ATOM 0 HB2 GLN A 201 -20.590 -21.558 -2.411 1.00 17.65 H new ATOM 0 HB3 GLN A 201 -19.585 -20.891 -1.423 1.00 17.65 H new ATOM 0 HG2 GLN A 201 -19.140 -19.194 -2.884 1.00 20.39 H new ATOM 0 HG3 GLN A 201 -19.851 -19.936 -4.057 1.00 20.39 H new ATOM 0 HE21 GLN A 201 -20.414 -17.359 -2.822 1.00 26.54 H new ATOM 0 HE22 GLN A 201 -21.862 -17.321 -2.472 1.00 26.54 H new ATOM 1690 N THR A 202 -19.122 -24.153 -1.995 1.00 15.96 N ATOM 1691 CA THR A 202 -18.915 -25.318 -1.144 1.00 17.19 C ATOM 1692 C THR A 202 -17.523 -25.887 -1.394 1.00 16.43 C ATOM 1693 O THR A 202 -16.749 -26.169 -0.449 1.00 16.10 O ATOM 1694 CB THR A 202 -20.009 -26.377 -1.365 1.00 17.66 C ATOM 1695 OG1 THR A 202 -21.294 -25.846 -1.040 1.00 19.12 O ATOM 1696 CG2 THR A 202 -19.760 -27.599 -0.559 1.00 18.97 C ATOM 0 H THR A 202 -19.787 -24.235 -2.534 1.00 15.96 H new ATOM 0 HA THR A 202 -18.978 -25.045 -0.215 1.00 17.19 H new ATOM 0 HB THR A 202 -19.987 -26.621 -2.304 1.00 17.66 H new ATOM 0 HG1 THR A 202 -21.522 -25.287 -1.624 1.00 19.12 H new ATOM 0 HG21 THR A 202 -20.466 -28.244 -0.722 1.00 18.97 H new ATOM 0 HG22 THR A 202 -18.906 -27.985 -0.811 1.00 18.97 H new ATOM 0 HG23 THR A 202 -19.745 -27.368 0.383 1.00 18.97 H new ATOM 1697 N LEU A 203 -17.139 -25.974 -2.674 1.00 15.57 N ATOM 1698 CA LEU A 203 -15.832 -26.410 -3.061 1.00 14.74 C ATOM 1699 C LEU A 203 -14.726 -25.496 -2.495 1.00 12.75 C ATOM 1700 O LEU A 203 -13.713 -25.994 -1.985 1.00 14.05 O ATOM 1701 CB LEU A 203 -15.763 -26.515 -4.593 1.00 15.72 C ATOM 1702 CG LEU A 203 -14.399 -26.890 -5.159 1.00 15.32 C ATOM 1703 CD1 LEU A 203 -13.982 -28.236 -4.585 1.00 18.05 C ATOM 1704 CD2 LEU A 203 -14.487 -26.915 -6.689 1.00 16.54 C ATOM 0 H LEU A 203 -17.650 -25.775 -3.336 1.00 15.57 H new ATOM 0 HA LEU A 203 -15.672 -27.288 -2.681 1.00 14.74 H new ATOM 0 HB2 LEU A 203 -16.411 -27.174 -4.887 1.00 15.72 H new ATOM 0 HB3 LEU A 203 -16.032 -25.664 -4.973 1.00 15.72 H new ATOM 0 HG LEU A 203 -13.724 -26.239 -4.911 1.00 15.32 H new ATOM 0 HD11 LEU A 203 -13.114 -28.484 -4.939 1.00 18.05 H new ATOM 0 HD12 LEU A 203 -13.930 -28.174 -3.618 1.00 18.05 H new ATOM 0 HD13 LEU A 203 -14.636 -28.909 -4.831 1.00 18.05 H new ATOM 0 HD21 LEU A 203 -13.623 -27.153 -7.059 1.00 16.54 H new ATOM 0 HD22 LEU A 203 -15.148 -27.570 -6.965 1.00 16.54 H new ATOM 0 HD23 LEU A 203 -14.747 -26.038 -7.013 1.00 16.54 H new ATOM 1705 N GLU A 204 -14.891 -24.189 -2.613 1.00 13.21 N ATOM 1706 CA GLU A 204 -13.941 -23.237 -2.058 1.00 12.96 C ATOM 1707 C GLU A 204 -13.744 -23.499 -0.539 1.00 12.41 C ATOM 1708 O GLU A 204 -12.596 -23.577 -0.066 1.00 12.29 O ATOM 1709 CB GLU A 204 -14.480 -21.830 -2.289 1.00 14.15 C ATOM 1710 CG GLU A 204 -13.598 -20.753 -1.686 1.00 15.16 C ATOM 1711 CD GLU A 204 -14.200 -19.375 -1.734 1.00 19.14 C ATOM 1712 OE1 GLU A 204 -13.774 -18.488 -0.972 1.00 17.94 O ATOM 1713 OE2 GLU A 204 -15.109 -19.124 -2.577 1.00 22.59 O ATOM 0 H GLU A 204 -15.558 -23.827 -3.018 1.00 13.21 H new ATOM 0 HA GLU A 204 -13.080 -23.335 -2.493 1.00 12.96 H new ATOM 0 HB2 GLU A 204 -14.566 -21.674 -3.243 1.00 14.15 H new ATOM 0 HB3 GLU A 204 -15.370 -21.763 -1.909 1.00 14.15 H new ATOM 0 HG2 GLU A 204 -13.409 -20.982 -0.763 1.00 15.16 H new ATOM 0 HG3 GLU A 204 -12.749 -20.742 -2.155 1.00 15.16 H new ATOM 1714 N HIS A 205 -14.836 -23.656 0.183 1.00 12.30 N ATOM 1715 CA HIS A 205 -14.724 -23.917 1.650 1.00 11.93 C ATOM 1716 C HIS A 205 -14.093 -25.248 1.958 1.00 12.32 C ATOM 1717 O HIS A 205 -13.317 -25.374 2.918 1.00 12.05 O ATOM 1718 CB HIS A 205 -16.092 -23.777 2.295 1.00 12.84 C ATOM 1719 CG HIS A 205 -16.525 -22.368 2.386 1.00 12.43 C ATOM 1720 ND1 HIS A 205 -16.025 -21.491 3.323 1.00 14.53 N ATOM 1721 CD2 HIS A 205 -17.375 -21.645 1.610 1.00 14.97 C ATOM 1722 CE1 HIS A 205 -16.565 -20.298 3.148 1.00 15.52 C ATOM 1723 NE2 HIS A 205 -17.388 -20.367 2.110 1.00 16.43 N ATOM 0 H HIS A 205 -15.639 -23.621 -0.124 1.00 12.30 H new ATOM 0 HA HIS A 205 -14.126 -23.253 2.029 1.00 11.93 H new ATOM 0 HB2 HIS A 205 -16.743 -24.281 1.782 1.00 12.84 H new ATOM 0 HB3 HIS A 205 -16.070 -24.165 3.184 1.00 12.84 H new ATOM 0 HD1 HIS A 205 -15.449 -21.690 3.930 1.00 14.53 H new ATOM 0 HD2 HIS A 205 -17.857 -21.957 0.878 1.00 14.97 H new ATOM 0 HE1 HIS A 205 -16.397 -19.542 3.663 1.00 15.52 H new ATOM 1724 N ARG A 206 -14.372 -26.277 1.169 1.00 12.57 N ATOM 1725 CA AARG A 206 -13.738 -27.533 1.378 0.70 12.76 C ATOM 1726 CA BARG A 206 -13.710 -27.565 1.341 0.30 12.95 C ATOM 1727 C ARG A 206 -12.212 -27.404 1.196 1.00 12.33 C ATOM 1728 O ARG A 206 -11.437 -27.942 1.971 1.00 12.28 O ATOM 1729 CB AARG A 206 -14.364 -28.546 0.409 0.70 13.22 C ATOM 1730 CB BARG A 206 -14.209 -28.592 0.312 0.30 13.74 C ATOM 1731 CG AARG A 206 -13.829 -29.936 0.623 0.70 15.99 C ATOM 1732 CG BARG A 206 -15.665 -28.917 0.439 0.30 16.25 C ATOM 1733 CD AARG A 206 -14.326 -30.898 -0.481 0.70 22.15 C ATOM 1734 CD BARG A 206 -16.006 -30.369 0.145 0.30 20.45 C ATOM 1735 NE AARG A 206 -15.729 -31.294 -0.332 0.70 28.29 N ATOM 1736 NE BARG A 206 -17.447 -30.554 0.232 0.30 20.81 N ATOM 1737 CZ AARG A 206 -16.726 -30.951 -1.157 0.70 30.71 C ATOM 1738 CZ BARG A 206 -18.067 -31.288 1.146 0.30 20.16 C ATOM 1739 NH1AARG A 206 -16.513 -30.191 -2.233 0.70 33.31 N ATOM 1740 NH1BARG A 206 -17.375 -31.947 2.062 0.30 20.05 N ATOM 1741 NH2AARG A 206 -17.960 -31.383 -0.908 0.70 34.11 N ATOM 1742 NH2BARG A 206 -19.388 -31.359 1.134 0.30 20.79 N ATOM 0 H AARG A 206 -14.927 -26.254 0.512 0.70 12.57 H new ATOM 0 H BARG A 206 -14.943 -26.251 0.526 0.30 12.57 H new ATOM 0 HA AARG A 206 -13.876 -27.844 2.286 0.70 12.95 H new ATOM 0 HA BARG A 206 -13.923 -27.889 2.230 0.30 12.95 H new ATOM 0 HB2AARG A 206 -15.327 -28.550 0.524 0.70 13.74 H new ATOM 0 HB2BARG A 206 -14.039 -28.252 -0.580 0.30 13.74 H new ATOM 0 HB3AARG A 206 -14.189 -28.270 -0.504 0.70 13.74 H new ATOM 0 HB3BARG A 206 -13.694 -29.409 0.407 0.30 13.74 H new ATOM 0 HG2AARG A 206 -12.859 -29.916 0.626 0.70 16.25 H new ATOM 0 HG2BARG A 206 -15.957 -28.702 1.339 0.30 16.25 H new ATOM 0 HG3AARG A 206 -14.109 -30.264 1.492 0.70 16.25 H new ATOM 0 HG3BARG A 206 -16.167 -28.348 -0.165 0.30 16.25 H new ATOM 0 HD2AARG A 206 -14.208 -30.474 -1.345 0.70 20.45 H new ATOM 0 HD2BARG A 206 -15.691 -30.613 -0.740 0.30 20.45 H new ATOM 0 HD3AARG A 206 -13.772 -31.694 -0.478 0.70 20.45 H new ATOM 0 HD3BARG A 206 -15.556 -30.952 0.777 0.30 20.45 H new ATOM 0 HE AARG A 206 -15.929 -31.789 0.343 0.70 20.81 H new ATOM 0 HE BARG A 206 -17.934 -30.157 -0.355 0.30 20.81 H new ATOM 0 HH11AARG A 206 -15.720 -29.909 -2.410 0.70 20.05 H new ATOM 0 HH11BARG A 206 -16.516 -31.901 2.068 0.30 20.05 H new ATOM 0 HH12AARG A 206 -17.169 -29.983 -2.749 0.70 20.05 H new ATOM 0 HH12BARG A 206 -17.784 -32.421 2.652 0.30 20.05 H new ATOM 0 HH21AARG A 206 -18.112 -31.878 -0.222 0.70 20.79 H new ATOM 0 HH21BARG A 206 -19.836 -30.932 0.537 0.30 20.79 H new ATOM 0 HH22AARG A 206 -18.606 -31.167 -1.433 0.70 20.79 H new ATOM 0 HH22BARG A 206 -19.799 -31.833 1.723 0.30 20.79 H new ATOM 1743 N GLN A 207 -11.785 -26.661 0.163 1.00 11.82 N ATOM 1744 CA GLN A 207 -10.354 -26.477 -0.089 1.00 12.17 C ATOM 1745 C GLN A 207 -9.687 -25.760 1.110 1.00 11.43 C ATOM 1746 O GLN A 207 -8.595 -26.128 1.528 1.00 11.07 O ATOM 1747 CB GLN A 207 -10.136 -25.649 -1.345 1.00 13.55 C ATOM 1748 CG GLN A 207 -10.711 -26.327 -2.648 1.00 14.53 C ATOM 1749 CD GLN A 207 -10.785 -25.370 -3.871 1.00 15.89 C ATOM 1750 OE1 GLN A 207 -10.773 -24.114 -3.762 1.00 21.65 O ATOM 1751 NE2 GLN A 207 -10.879 -25.970 -5.059 1.00 17.07 N ATOM 0 H GLN A 207 -12.304 -26.261 -0.395 1.00 11.82 H new ATOM 0 HA GLN A 207 -9.954 -27.353 -0.208 1.00 12.17 H new ATOM 0 HB2 GLN A 207 -10.553 -24.781 -1.229 1.00 13.55 H new ATOM 0 HB3 GLN A 207 -9.186 -25.494 -1.461 1.00 13.55 H new ATOM 0 HG2 GLN A 207 -10.157 -27.090 -2.877 1.00 14.53 H new ATOM 0 HG3 GLN A 207 -11.599 -26.668 -2.460 1.00 14.53 H new ATOM 0 HE21 GLN A 207 -10.885 -26.829 -5.108 1.00 17.07 H new ATOM 0 HE22 GLN A 207 -10.933 -25.498 -5.776 1.00 17.07 H new ATOM 1752 N GLY A 208 -10.377 -24.767 1.708 1.00 11.01 N ATOM 1753 CA GLY A 208 -9.816 -24.061 2.870 1.00 11.38 C ATOM 1754 C GLY A 208 -9.655 -24.998 4.039 1.00 10.81 C ATOM 1755 O GLY A 208 -8.645 -24.914 4.744 1.00 11.14 O ATOM 0 H GLY A 208 -11.154 -24.495 1.459 1.00 11.01 H new ATOM 0 HA2 GLY A 208 -8.956 -23.678 2.637 1.00 11.38 H new ATOM 0 HA3 GLY A 208 -10.397 -23.325 3.118 1.00 11.38 H new ATOM 1756 N GLN A 209 -10.616 -25.899 4.239 1.00 10.90 N ATOM 1757 CA GLN A 209 -10.530 -26.846 5.346 1.00 11.52 C ATOM 1758 C GLN A 209 -9.417 -27.862 5.128 1.00 11.49 C ATOM 1759 O GLN A 209 -8.692 -28.234 6.054 1.00 11.44 O ATOM 1760 CB GLN A 209 -11.876 -27.520 5.573 1.00 10.68 C ATOM 1761 CG GLN A 209 -11.847 -28.600 6.633 1.00 12.94 C ATOM 1762 CD GLN A 209 -13.190 -29.137 7.058 1.00 12.90 C ATOM 1763 OE1 GLN A 209 -13.221 -30.169 7.741 1.00 15.03 O ATOM 1764 NE2 GLN A 209 -14.272 -28.476 6.700 1.00 12.24 N ATOM 0 H GLN A 209 -11.319 -25.977 3.750 1.00 10.90 H new ATOM 0 HA GLN A 209 -10.303 -26.353 6.150 1.00 11.52 H new ATOM 0 HB2 GLN A 209 -12.527 -26.847 5.827 1.00 10.68 H new ATOM 0 HB3 GLN A 209 -12.180 -27.907 4.737 1.00 10.68 H new ATOM 0 HG2 GLN A 209 -11.311 -29.339 6.304 1.00 12.94 H new ATOM 0 HG3 GLN A 209 -11.395 -28.249 7.416 1.00 12.94 H new ATOM 0 HE21 GLN A 209 -14.203 -27.763 6.225 1.00 12.24 H new ATOM 0 HE22 GLN A 209 -15.048 -28.758 6.942 1.00 12.24 H new ATOM 1765 N ILE A 210 -9.252 -28.345 3.889 1.00 11.24 N ATOM 1766 CA ILE A 210 -8.160 -29.241 3.553 1.00 11.59 C ATOM 1767 C ILE A 210 -6.816 -28.582 3.834 1.00 10.68 C ATOM 1768 O ILE A 210 -5.915 -29.187 4.413 1.00 10.90 O ATOM 1769 CB ILE A 210 -8.270 -29.691 2.069 1.00 12.65 C ATOM 1770 CG1 ILE A 210 -9.420 -30.675 1.959 1.00 14.51 C ATOM 1771 CG2 ILE A 210 -6.939 -30.276 1.561 1.00 15.66 C ATOM 1772 CD1 ILE A 210 -9.827 -30.981 0.492 1.00 16.02 C ATOM 0 H ILE A 210 -9.772 -28.158 3.230 1.00 11.24 H new ATOM 0 HA ILE A 210 -8.222 -30.031 4.113 1.00 11.59 H new ATOM 0 HB ILE A 210 -8.453 -28.928 1.499 1.00 12.65 H new ATOM 0 HG12 ILE A 210 -9.172 -31.503 2.399 1.00 14.51 H new ATOM 0 HG13 ILE A 210 -10.188 -30.320 2.434 1.00 14.51 H new ATOM 0 HG21 ILE A 210 -7.037 -30.548 0.635 1.00 15.66 H new ATOM 0 HG22 ILE A 210 -6.243 -29.604 1.628 1.00 15.66 H new ATOM 0 HG23 ILE A 210 -6.697 -31.046 2.099 1.00 15.66 H new ATOM 0 HD11 ILE A 210 -10.563 -31.613 0.485 1.00 16.02 H new ATOM 0 HD12 ILE A 210 -10.102 -30.160 0.054 1.00 16.02 H new ATOM 0 HD13 ILE A 210 -9.071 -31.362 0.019 1.00 16.02 H new ATOM 1773 N HIS A 211 -6.670 -27.321 3.399 1.00 10.52 N ATOM 1774 CA HIS A 211 -5.429 -26.607 3.655 1.00 10.29 C ATOM 1775 C HIS A 211 -5.144 -26.489 5.168 1.00 10.17 C ATOM 1776 O HIS A 211 -3.994 -26.669 5.599 1.00 11.04 O ATOM 1777 CB HIS A 211 -5.456 -25.223 2.967 1.00 11.59 C ATOM 1778 CG HIS A 211 -4.219 -24.435 3.181 1.00 10.74 C ATOM 1779 ND1 HIS A 211 -3.001 -24.761 2.619 1.00 13.79 N ATOM 1780 CD2 HIS A 211 -3.985 -23.363 3.964 1.00 11.70 C ATOM 1781 CE1 HIS A 211 -2.082 -23.896 3.021 1.00 13.04 C ATOM 1782 NE2 HIS A 211 -2.660 -23.031 3.833 1.00 13.79 N ATOM 0 H HIS A 211 -7.266 -26.878 2.965 1.00 10.52 H new ATOM 0 HA HIS A 211 -4.699 -27.119 3.273 1.00 10.29 H new ATOM 0 HB2 HIS A 211 -5.593 -25.345 2.015 1.00 11.59 H new ATOM 0 HB3 HIS A 211 -6.215 -24.718 3.300 1.00 11.59 H new ATOM 0 HD2 HIS A 211 -4.610 -22.927 4.497 1.00 11.70 H new ATOM 0 HE1 HIS A 211 -1.185 -23.898 2.774 1.00 13.04 H new ATOM 0 HE2 HIS A 211 -2.270 -22.368 4.217 1.00 13.79 H new ATOM 1783 N TYR A 212 -6.191 -26.165 5.940 1.00 9.52 N ATOM 1784 CA TYR A 212 -6.034 -26.063 7.385 1.00 10.12 C ATOM 1785 C TYR A 212 -5.495 -27.396 7.946 1.00 9.07 C ATOM 1786 O TYR A 212 -4.558 -27.393 8.732 1.00 9.19 O ATOM 1787 CB TYR A 212 -7.392 -25.737 7.966 1.00 9.77 C ATOM 1788 CG TYR A 212 -7.484 -25.679 9.475 1.00 9.37 C ATOM 1789 CD1 TYR A 212 -7.363 -24.459 10.150 1.00 9.06 C ATOM 1790 CD2 TYR A 212 -7.765 -26.821 10.219 1.00 9.77 C ATOM 1791 CE1 TYR A 212 -7.551 -24.373 11.544 1.00 9.62 C ATOM 1792 CE2 TYR A 212 -7.906 -26.766 11.618 1.00 9.65 C ATOM 1793 CZ TYR A 212 -7.808 -25.544 12.259 1.00 9.51 C ATOM 1794 OH TYR A 212 -7.986 -25.462 13.636 1.00 10.94 O ATOM 0 H TYR A 212 -6.984 -26.004 5.647 1.00 9.52 H new ATOM 0 HA TYR A 212 -5.399 -25.369 7.621 1.00 10.12 H new ATOM 0 HB2 TYR A 212 -7.676 -24.880 7.611 1.00 9.77 H new ATOM 0 HB3 TYR A 212 -8.025 -26.400 7.648 1.00 9.77 H new ATOM 0 HD1 TYR A 212 -7.155 -23.691 9.670 1.00 9.06 H new ATOM 0 HD2 TYR A 212 -7.862 -27.637 9.783 1.00 9.77 H new ATOM 0 HE1 TYR A 212 -7.505 -23.552 11.979 1.00 9.62 H new ATOM 0 HE2 TYR A 212 -8.063 -27.542 12.106 1.00 9.65 H new ATOM 0 HH TYR A 212 -8.133 -26.229 13.946 1.00 10.94 H new ATOM 1795 N CYS A 213 -6.088 -28.509 7.524 1.00 9.17 N ATOM 1796 CA CYS A 213 -5.616 -29.803 8.027 1.00 10.27 C ATOM 1797 C CYS A 213 -4.182 -30.137 7.628 1.00 10.81 C ATOM 1798 O CYS A 213 -3.407 -30.660 8.428 1.00 11.18 O ATOM 1799 CB CYS A 213 -6.542 -30.909 7.557 1.00 10.55 C ATOM 1800 SG CYS A 213 -8.116 -30.846 8.441 1.00 13.64 S ATOM 0 H CYS A 213 -6.742 -28.543 6.967 1.00 9.17 H new ATOM 0 HA CYS A 213 -5.624 -29.734 8.994 1.00 10.27 H new ATOM 0 HB2 CYS A 213 -6.698 -30.823 6.604 1.00 10.55 H new ATOM 0 HB3 CYS A 213 -6.121 -31.771 7.699 1.00 10.55 H new ATOM 0 HG CYS A 213 -8.809 -29.989 7.965 1.00 13.64 H new ATOM 1801 N GLN A 214 -3.844 -29.800 6.375 1.00 10.58 N ATOM 1802 CA GLN A 214 -2.471 -30.094 5.911 1.00 11.04 C ATOM 1803 C GLN A 214 -1.444 -29.274 6.689 1.00 10.17 C ATOM 1804 O GLN A 214 -0.391 -29.785 7.030 1.00 11.16 O ATOM 1805 CB GLN A 214 -2.370 -29.799 4.419 1.00 11.62 C ATOM 1806 CG GLN A 214 -3.197 -30.773 3.566 1.00 15.91 C ATOM 1807 CD GLN A 214 -3.278 -30.401 2.115 1.00 21.24 C ATOM 1808 OE1 GLN A 214 -3.272 -29.224 1.754 1.00 23.56 O ATOM 1809 NE2 GLN A 214 -3.393 -31.426 1.259 1.00 25.19 N ATOM 0 H GLN A 214 -4.361 -29.421 5.802 1.00 10.58 H new ATOM 0 HA GLN A 214 -2.280 -31.032 6.068 1.00 11.04 H new ATOM 0 HB2 GLN A 214 -2.671 -28.892 4.251 1.00 11.62 H new ATOM 0 HB3 GLN A 214 -1.440 -29.845 4.146 1.00 11.62 H new ATOM 0 HG2 GLN A 214 -2.812 -31.660 3.641 1.00 15.91 H new ATOM 0 HG3 GLN A 214 -4.096 -30.822 3.928 1.00 15.91 H new ATOM 0 HE21 GLN A 214 -3.393 -32.234 1.553 1.00 25.19 H new ATOM 0 HE22 GLN A 214 -3.467 -31.276 0.415 1.00 25.19 H new ATOM 1810 N GLN A 215 -1.772 -28.018 7.022 1.00 9.65 N ATOM 1811 CA GLN A 215 -0.864 -27.186 7.791 1.00 9.31 C ATOM 1812 C GLN A 215 -0.738 -27.607 9.256 1.00 9.04 C ATOM 1813 O GLN A 215 0.358 -27.635 9.797 1.00 9.50 O ATOM 1814 CB GLN A 215 -1.269 -25.741 7.674 1.00 9.74 C ATOM 1815 CG GLN A 215 -1.115 -25.135 6.260 1.00 11.10 C ATOM 1816 CD GLN A 215 0.310 -24.893 5.869 1.00 14.82 C ATOM 1817 OE1 GLN A 215 1.023 -25.811 5.474 1.00 18.66 O ATOM 1818 NE2 GLN A 215 0.745 -23.639 5.940 1.00 18.91 N ATOM 0 H GLN A 215 -2.514 -27.639 6.809 1.00 9.65 H new ATOM 0 HA GLN A 215 0.020 -27.308 7.410 1.00 9.31 H new ATOM 0 HB2 GLN A 215 -2.195 -25.655 7.950 1.00 9.74 H new ATOM 0 HB3 GLN A 215 -0.738 -25.218 8.295 1.00 9.74 H new ATOM 0 HG2 GLN A 215 -1.524 -25.731 5.613 1.00 11.10 H new ATOM 0 HG3 GLN A 215 -1.601 -24.297 6.220 1.00 11.10 H new ATOM 0 HE21 GLN A 215 0.221 -23.017 6.221 1.00 18.91 H new ATOM 0 HE22 GLN A 215 1.550 -23.449 5.705 1.00 18.91 H new ATOM 1819 N GLN A 216 -1.871 -28.005 9.850 1.00 9.03 N ATOM 1820 CA GLN A 216 -1.861 -28.502 11.226 1.00 9.54 C ATOM 1821 C GLN A 216 -0.948 -29.726 11.349 1.00 9.81 C ATOM 1822 O GLN A 216 -0.307 -29.921 12.382 1.00 10.54 O ATOM 1823 CB GLN A 216 -3.282 -28.866 11.689 1.00 9.76 C ATOM 1824 CG GLN A 216 -4.180 -27.641 12.020 1.00 10.51 C ATOM 1825 CD GLN A 216 -4.014 -27.124 13.417 1.00 10.69 C ATOM 1826 OE1 GLN A 216 -3.098 -27.462 14.113 1.00 13.42 O ATOM 1827 NE2 GLN A 216 -4.943 -26.296 13.836 1.00 11.68 N ATOM 0 H GLN A 216 -2.645 -27.994 9.476 1.00 9.03 H new ATOM 0 HA GLN A 216 -1.521 -27.794 11.795 1.00 9.54 H new ATOM 0 HB2 GLN A 216 -3.712 -29.391 10.996 1.00 9.76 H new ATOM 0 HB3 GLN A 216 -3.220 -29.430 12.475 1.00 9.76 H new ATOM 0 HG2 GLN A 216 -3.980 -26.927 11.395 1.00 10.51 H new ATOM 0 HG3 GLN A 216 -5.109 -27.886 11.884 1.00 10.51 H new ATOM 0 HE21 GLN A 216 -5.588 -26.073 13.313 1.00 11.68 H new ATOM 0 HE22 GLN A 216 -4.907 -25.977 14.634 1.00 11.68 H new ATOM 1828 N GLN A 217 -0.896 -30.535 10.315 1.00 10.25 N ATOM 1829 CA GLN A 217 -0.031 -31.703 10.338 1.00 10.68 C ATOM 1830 C GLN A 217 1.447 -31.353 10.357 1.00 11.21 C ATOM 1831 O GLN A 217 2.287 -32.248 10.641 1.00 13.13 O ATOM 1832 CB GLN A 217 -0.404 -32.612 9.155 1.00 12.22 C ATOM 1833 CG GLN A 217 -1.731 -33.362 9.339 1.00 12.98 C ATOM 1834 CD GLN A 217 -2.128 -34.209 8.143 1.00 15.11 C ATOM 1835 OE1 GLN A 217 -1.156 -34.911 7.575 1.00 19.45 O flip ATOM 1836 NE2 GLN A 217 -3.294 -34.234 7.718 1.00 15.84 N flip ATOM 0 H GLN A 217 -1.349 -30.432 9.591 1.00 10.25 H new ATOM 0 HA GLN A 217 -0.177 -32.180 11.170 1.00 10.68 H new ATOM 0 HB2 GLN A 217 -0.456 -32.074 8.349 1.00 12.22 H new ATOM 0 HB3 GLN A 217 0.306 -33.258 9.019 1.00 12.22 H new ATOM 0 HG2 GLN A 217 -1.665 -33.932 10.121 1.00 12.98 H new ATOM 0 HG3 GLN A 217 -2.435 -32.718 9.517 1.00 12.98 H new ATOM 0 HE21 GLN A 217 -3.903 -33.768 8.107 1.00 15.84 H new ATOM 0 HE22 GLN A 217 -3.492 -34.717 7.035 1.00 15.84 H new ATOM 1837 N LYS A 218 1.829 -30.122 10.070 1.00 10.98 N ATOM 1838 CA LYS A 218 3.225 -29.709 10.157 1.00 10.98 C ATOM 1839 C LYS A 218 3.661 -29.422 11.583 1.00 11.36 C ATOM 1840 O LYS A 218 4.831 -29.084 11.786 1.00 13.13 O ATOM 1841 CB LYS A 218 3.481 -28.471 9.283 1.00 12.91 C ATOM 1842 CG LYS A 218 3.190 -28.712 7.816 1.00 14.37 C ATOM 1843 CD LYS A 218 3.545 -27.515 6.963 1.00 16.22 C ATOM 1844 CE LYS A 218 3.362 -27.905 5.517 1.00 20.14 C ATOM 1845 NZ LYS A 218 3.460 -26.660 4.678 1.00 23.91 N ATOM 0 H LYS A 218 1.291 -29.500 9.819 1.00 10.98 H new ATOM 0 HA LYS A 218 3.753 -30.455 9.831 1.00 10.98 H new ATOM 0 HB2 LYS A 218 2.931 -27.738 9.601 1.00 12.91 H new ATOM 0 HB3 LYS A 218 4.406 -28.196 9.383 1.00 12.91 H new ATOM 0 HG2 LYS A 218 3.690 -29.485 7.511 1.00 14.37 H new ATOM 0 HG3 LYS A 218 2.249 -28.920 7.704 1.00 14.37 H new ATOM 0 HD2 LYS A 218 2.978 -26.760 7.185 1.00 16.22 H new ATOM 0 HD3 LYS A 218 4.461 -27.241 7.127 1.00 16.22 H new ATOM 0 HE2 LYS A 218 4.040 -28.546 5.251 1.00 20.14 H new ATOM 0 HE3 LYS A 218 2.501 -28.333 5.388 1.00 20.14 H new ATOM 0 HZ1 LYS A 218 3.514 -26.884 3.819 1.00 23.91 H new ATOM 0 HZ2 LYS A 218 2.737 -26.157 4.808 1.00 23.91 H new ATOM 0 HZ3 LYS A 218 4.186 -26.201 4.911 1.00 23.91 H new ATOM 1846 N ASN A 219 2.781 -29.485 12.580 1.00 10.58 N ATOM 1847 CA ASN A 219 3.141 -29.067 13.944 1.00 10.53 C ATOM 1848 C ASN A 219 3.899 -30.193 14.633 1.00 10.48 C ATOM 1849 O ASN A 219 3.349 -31.193 15.108 1.00 11.78 O ATOM 1850 CB ASN A 219 1.831 -28.797 14.705 1.00 10.80 C ATOM 1851 CG ASN A 219 2.012 -28.329 16.123 1.00 11.89 C ATOM 1852 OD1 ASN A 219 3.223 -28.116 16.557 1.00 14.83 O flip ATOM 1853 ND2 ASN A 219 0.970 -28.072 16.810 1.00 10.66 N flip ATOM 0 H ASN A 219 1.972 -29.765 12.493 1.00 10.58 H new ATOM 0 HA ASN A 219 3.700 -28.274 13.925 1.00 10.53 H new ATOM 0 HB2 ASN A 219 1.321 -28.130 14.220 1.00 10.80 H new ATOM 0 HB3 ASN A 219 1.301 -29.610 14.711 1.00 10.80 H new ATOM 0 HD21 ASN A 219 0.190 -28.229 16.483 1.00 10.66 H new ATOM 0 HD22 ASN A 219 1.047 -27.742 17.600 1.00 10.66 H new ATOM 1854 N ASP A 220 5.201 -30.043 14.714 1.00 10.25 N ATOM 1855 CA ASP A 220 6.049 -31.023 15.376 1.00 10.66 C ATOM 1856 C ASP A 220 5.914 -31.028 16.892 1.00 11.28 C ATOM 1857 O ASP A 220 6.395 -31.987 17.522 1.00 10.80 O ATOM 1858 CB ASP A 220 7.533 -30.787 15.014 1.00 13.20 C ATOM 1859 CG ASP A 220 7.879 -31.206 13.587 1.00 14.84 C ATOM 1860 OD1 ASP A 220 8.993 -30.811 13.158 1.00 21.88 O ATOM 1861 OD2 ASP A 220 7.105 -31.924 12.924 1.00 19.28 O ATOM 0 H ASP A 220 5.626 -29.370 14.388 1.00 10.25 H new ATOM 0 HA ASP A 220 5.746 -31.886 15.054 1.00 10.66 H new ATOM 0 HB2 ASP A 220 7.742 -29.847 15.128 1.00 13.20 H new ATOM 0 HB3 ASP A 220 8.093 -31.279 15.634 1.00 13.20 H new ATOM 1862 N LYS A 221 5.275 -30.017 17.489 1.00 10.25 N ATOM 1863 CA LYS A 221 5.070 -30.066 18.965 1.00 10.86 C ATOM 1864 C LYS A 221 4.137 -31.207 19.307 1.00 10.52 C ATOM 1865 O LYS A 221 4.368 -31.981 20.264 1.00 11.38 O ATOM 1866 CB LYS A 221 4.522 -28.749 19.533 1.00 11.35 C ATOM 1867 CG LYS A 221 5.455 -27.555 19.370 1.00 13.43 C ATOM 1868 CD LYS A 221 6.805 -27.765 19.998 1.00 16.37 C ATOM 1869 CE LYS A 221 7.620 -26.462 20.153 1.00 20.82 C ATOM 1870 NZ LYS A 221 7.923 -25.952 18.837 1.00 22.08 N ATOM 0 H LYS A 221 4.962 -29.322 17.091 1.00 10.25 H new ATOM 0 HA LYS A 221 5.938 -30.208 19.374 1.00 10.86 H new ATOM 0 HB2 LYS A 221 3.679 -28.548 19.098 1.00 11.35 H new ATOM 0 HB3 LYS A 221 4.332 -28.871 20.476 1.00 11.35 H new ATOM 0 HG2 LYS A 221 5.570 -27.369 18.425 1.00 13.43 H new ATOM 0 HG3 LYS A 221 5.040 -26.772 19.764 1.00 13.43 H new ATOM 0 HD2 LYS A 221 6.688 -28.171 20.871 1.00 16.37 H new ATOM 0 HD3 LYS A 221 7.311 -28.393 19.459 1.00 16.37 H new ATOM 0 HE2 LYS A 221 7.115 -25.807 20.660 1.00 20.82 H new ATOM 0 HE3 LYS A 221 8.438 -26.633 20.645 1.00 20.82 H new ATOM 0 HZ1 LYS A 221 8.584 -25.358 18.893 1.00 22.08 H new ATOM 0 HZ2 LYS A 221 8.172 -26.623 18.308 1.00 22.08 H new ATOM 0 HZ3 LYS A 221 7.200 -25.560 18.497 1.00 22.08 H new ATOM 1871 N THR A 222 3.062 -31.314 18.562 1.00 9.67 N ATOM 1872 CA THR A 222 2.123 -32.450 18.764 1.00 9.08 C ATOM 1873 C THR A 222 2.848 -33.709 18.353 1.00 9.03 C ATOM 1874 O THR A 222 2.802 -34.727 19.060 1.00 9.23 O ATOM 1875 CB THR A 222 0.911 -32.306 17.874 1.00 10.05 C ATOM 1876 OG1 THR A 222 0.136 -31.196 18.333 1.00 13.49 O ATOM 1877 CG2 THR A 222 0.005 -33.485 17.904 1.00 12.35 C ATOM 0 H THR A 222 2.840 -30.763 17.940 1.00 9.67 H new ATOM 0 HA THR A 222 1.836 -32.473 19.690 1.00 9.08 H new ATOM 0 HB THR A 222 1.250 -32.198 16.971 1.00 10.05 H new ATOM 0 HG1 THR A 222 -0.537 -31.101 17.840 1.00 13.49 H new ATOM 0 HG21 THR A 222 -0.749 -33.329 17.314 1.00 12.35 H new ATOM 0 HG22 THR A 222 0.488 -34.272 17.609 1.00 12.35 H new ATOM 0 HG23 THR A 222 -0.316 -33.624 18.809 1.00 12.35 H new ATOM 1878 N ARG A 223 3.492 -33.714 17.176 1.00 9.13 N ATOM 1879 CA ARG A 223 4.017 -34.964 16.655 1.00 8.81 C ATOM 1880 C ARG A 223 5.032 -35.567 17.595 1.00 9.12 C ATOM 1881 O ARG A 223 5.032 -36.800 17.798 1.00 10.00 O ATOM 1882 CB ARG A 223 4.623 -34.794 15.253 1.00 9.86 C ATOM 1883 CG ARG A 223 4.990 -36.138 14.569 1.00 9.50 C ATOM 1884 CD ARG A 223 5.511 -35.879 13.167 1.00 11.64 C ATOM 1885 NE ARG A 223 4.518 -35.252 12.268 1.00 11.60 N ATOM 1886 CZ ARG A 223 3.641 -35.902 11.502 1.00 11.35 C ATOM 1887 NH1 ARG A 223 3.615 -37.239 11.458 1.00 12.37 N ATOM 1888 NH2 ARG A 223 2.832 -35.190 10.729 1.00 13.05 N ATOM 0 H ARG A 223 3.628 -33.022 16.684 1.00 9.13 H new ATOM 0 HA ARG A 223 3.266 -35.573 16.581 1.00 8.81 H new ATOM 0 HB2 ARG A 223 3.993 -34.316 14.692 1.00 9.86 H new ATOM 0 HB3 ARG A 223 5.420 -34.244 15.317 1.00 9.86 H new ATOM 0 HG2 ARG A 223 5.662 -36.603 15.092 1.00 9.50 H new ATOM 0 HG3 ARG A 223 4.211 -36.714 14.532 1.00 9.50 H new ATOM 0 HD2 ARG A 223 6.292 -35.307 13.222 1.00 11.64 H new ATOM 0 HD3 ARG A 223 5.802 -36.719 12.779 1.00 11.64 H new ATOM 0 HE ARG A 223 4.505 -34.393 12.236 1.00 11.60 H new ATOM 0 HH11 ARG A 223 4.171 -37.696 11.929 1.00 12.37 H new ATOM 0 HH12 ARG A 223 3.043 -37.642 10.958 1.00 12.37 H new ATOM 0 HH21 ARG A 223 2.881 -34.331 10.730 1.00 13.05 H new ATOM 0 HH22 ARG A 223 2.258 -35.587 10.226 1.00 13.05 H new ATOM 1889 N ARG A 224 5.922 -34.766 18.180 1.00 9.78 N ATOM 1890 CA ARG A 224 6.940 -35.350 19.065 1.00 9.82 C ATOM 1891 C ARG A 224 6.315 -35.996 20.288 1.00 8.75 C ATOM 1892 O ARG A 224 6.779 -37.060 20.708 1.00 9.88 O ATOM 1893 CB ARG A 224 7.954 -34.254 19.449 1.00 11.76 C ATOM 1894 CG ARG A 224 9.085 -34.753 20.362 1.00 12.53 C ATOM 1895 CD ARG A 224 10.108 -33.628 20.723 1.00 16.23 C ATOM 1896 NE ARG A 224 11.300 -34.206 21.391 1.00 19.20 N ATOM 1897 CZ ARG A 224 11.507 -34.215 22.715 1.00 20.23 C ATOM 1898 NH1 ARG A 224 10.611 -33.691 23.554 1.00 16.78 N ATOM 1899 NH2 ARG A 224 12.608 -34.769 23.223 1.00 21.89 N ATOM 0 H ARG A 224 5.958 -33.912 18.085 1.00 9.78 H new ATOM 0 HA ARG A 224 7.404 -36.060 18.594 1.00 9.82 H new ATOM 0 HB2 ARG A 224 8.341 -33.885 18.640 1.00 11.76 H new ATOM 0 HB3 ARG A 224 7.484 -33.531 19.894 1.00 11.76 H new ATOM 0 HG2 ARG A 224 8.703 -35.112 21.178 1.00 12.53 H new ATOM 0 HG3 ARG A 224 9.552 -35.481 19.924 1.00 12.53 H new ATOM 0 HD2 ARG A 224 10.377 -33.158 19.919 1.00 16.23 H new ATOM 0 HD3 ARG A 224 9.688 -32.976 21.306 1.00 16.23 H new ATOM 0 HE ARG A 224 11.903 -34.562 20.891 1.00 19.20 H new ATOM 0 HH11 ARG A 224 9.888 -33.341 23.247 1.00 16.78 H new ATOM 0 HH12 ARG A 224 10.757 -33.704 24.401 1.00 16.78 H new ATOM 0 HH21 ARG A 224 13.191 -35.124 22.700 1.00 21.89 H new ATOM 0 HH22 ARG A 224 12.735 -34.771 24.074 1.00 21.89 H new ATOM 1900 N VAL A 225 5.327 -35.358 20.876 1.00 9.23 N ATOM 1901 CA VAL A 225 4.652 -35.946 22.048 1.00 9.41 C ATOM 1902 C VAL A 225 4.044 -37.307 21.673 1.00 9.32 C ATOM 1903 O VAL A 225 4.235 -38.311 22.364 1.00 9.82 O ATOM 1904 CB VAL A 225 3.548 -35.013 22.603 1.00 9.37 C ATOM 1905 CG1 VAL A 225 2.667 -35.773 23.589 1.00 10.69 C ATOM 1906 CG2 VAL A 225 4.179 -33.806 23.250 1.00 10.92 C ATOM 0 H VAL A 225 5.024 -34.592 20.628 1.00 9.23 H new ATOM 0 HA VAL A 225 5.318 -36.064 22.744 1.00 9.41 H new ATOM 0 HB VAL A 225 2.985 -34.708 21.874 1.00 9.37 H new ATOM 0 HG11 VAL A 225 1.979 -35.181 23.931 1.00 10.69 H new ATOM 0 HG12 VAL A 225 2.251 -36.525 23.139 1.00 10.69 H new ATOM 0 HG13 VAL A 225 3.210 -36.097 24.325 1.00 10.69 H new ATOM 0 HG21 VAL A 225 3.485 -33.224 23.596 1.00 10.92 H new ATOM 0 HG22 VAL A 225 4.753 -34.092 23.978 1.00 10.92 H new ATOM 0 HG23 VAL A 225 4.706 -33.325 22.593 1.00 10.92 H new ATOM 1907 N LEU A 226 3.392 -37.382 20.514 1.00 8.42 N ATOM 1908 CA LEU A 226 2.774 -38.635 20.115 1.00 8.89 C ATOM 1909 C LEU A 226 3.866 -39.663 19.835 1.00 8.59 C ATOM 1910 O LEU A 226 3.716 -40.855 20.206 1.00 9.79 O ATOM 1911 CB LEU A 226 1.921 -38.426 18.854 1.00 8.95 C ATOM 1912 CG LEU A 226 0.767 -37.419 18.967 1.00 9.11 C ATOM 1913 CD1 LEU A 226 0.085 -37.393 17.623 1.00 11.35 C ATOM 1914 CD2 LEU A 226 -0.162 -37.718 20.130 1.00 10.06 C ATOM 0 H LEU A 226 3.299 -36.732 19.958 1.00 8.42 H new ATOM 0 HA LEU A 226 2.200 -38.953 20.829 1.00 8.89 H new ATOM 0 HB2 LEU A 226 2.506 -38.138 18.136 1.00 8.95 H new ATOM 0 HB3 LEU A 226 1.551 -39.284 18.592 1.00 8.95 H new ATOM 0 HG LEU A 226 1.099 -36.532 19.178 1.00 9.11 H new ATOM 0 HD11 LEU A 226 -0.655 -36.767 17.648 1.00 11.35 H new ATOM 0 HD12 LEU A 226 0.719 -37.117 16.943 1.00 11.35 H new ATOM 0 HD13 LEU A 226 -0.249 -38.279 17.412 1.00 11.35 H new ATOM 0 HD21 LEU A 226 -0.870 -37.056 20.157 1.00 10.06 H new ATOM 0 HD22 LEU A 226 -0.549 -38.600 20.017 1.00 10.06 H new ATOM 0 HD23 LEU A 226 0.339 -37.689 20.960 1.00 10.06 H new ATOM 1915 N GLU A 227 4.942 -39.264 19.165 1.00 8.63 N ATOM 1916 CA GLU A 227 5.981 -40.211 18.791 1.00 9.65 C ATOM 1917 C GLU A 227 6.690 -40.768 19.998 1.00 10.07 C ATOM 1918 O GLU A 227 7.092 -41.963 20.013 1.00 10.68 O ATOM 1919 CB GLU A 227 6.998 -39.501 17.899 1.00 9.94 C ATOM 1920 CG GLU A 227 6.523 -39.359 16.460 1.00 11.67 C ATOM 1921 CD GLU A 227 7.514 -38.696 15.561 1.00 14.50 C ATOM 1922 OE1 GLU A 227 7.301 -38.775 14.356 1.00 14.18 O ATOM 1923 OE2 GLU A 227 8.455 -38.065 16.082 1.00 19.00 O ATOM 0 H GLU A 227 5.088 -38.453 18.919 1.00 8.63 H new ATOM 0 HA GLU A 227 5.563 -40.950 18.321 1.00 9.65 H new ATOM 0 HB2 GLU A 227 7.182 -38.621 18.263 1.00 9.94 H new ATOM 0 HB3 GLU A 227 7.833 -39.994 17.912 1.00 9.94 H new ATOM 0 HG2 GLU A 227 6.317 -40.239 16.108 1.00 11.67 H new ATOM 0 HG3 GLU A 227 5.698 -38.849 16.449 1.00 11.67 H new ATOM 1924 N LYS A 228 6.901 -39.978 21.035 1.00 10.55 N ATOM 1925 CA ALYS A 228 7.611 -40.443 22.234 0.63 11.24 C ATOM 1926 CA BLYS A 228 7.636 -40.477 22.172 0.37 10.96 C ATOM 1927 C LYS A 228 6.849 -41.534 22.948 1.00 10.43 C ATOM 1928 O LYS A 228 7.467 -42.402 23.585 1.00 11.06 O ATOM 1929 CB ALYS A 228 7.878 -39.296 23.210 0.63 11.81 C ATOM 1930 CB BLYS A 228 8.083 -39.316 23.037 0.37 11.35 C ATOM 1931 CG ALYS A 228 9.006 -38.357 22.811 0.63 12.87 C ATOM 1932 CG BLYS A 228 9.201 -38.506 22.402 0.37 12.20 C ATOM 1933 CD ALYS A 228 10.327 -39.087 22.441 0.63 15.97 C ATOM 1934 CD BLYS A 228 9.394 -37.261 23.217 0.37 16.05 C ATOM 1935 CE ALYS A 228 11.265 -38.077 21.708 0.63 18.18 C ATOM 1936 CE BLYS A 228 8.060 -36.584 23.330 0.37 19.38 C ATOM 1937 NZ ALYS A 228 12.461 -38.786 21.157 0.63 22.02 N ATOM 1938 NZ BLYS A 228 7.965 -35.584 24.401 0.37 19.17 N ATOM 0 H ALYS A 228 6.642 -39.159 21.073 0.63 10.55 H new ATOM 0 H BLYS A 228 6.631 -39.164 21.098 0.37 10.55 H new ATOM 0 HA ALYS A 228 8.458 -40.801 21.927 0.63 10.96 H new ATOM 0 HA BLYS A 228 8.430 -40.935 21.856 0.37 10.96 H new ATOM 0 HB2ALYS A 228 7.064 -38.778 23.308 0.63 11.35 H new ATOM 0 HB2BLYS A 228 7.325 -38.735 23.208 0.37 11.35 H new ATOM 0 HB3ALYS A 228 8.082 -39.672 24.081 0.63 11.35 H new ATOM 0 HB3BLYS A 228 8.381 -39.654 23.896 0.37 11.35 H new ATOM 0 HG2ALYS A 228 8.719 -37.823 22.054 0.63 12.20 H new ATOM 0 HG2BLYS A 228 10.021 -39.024 22.374 0.37 12.20 H new ATOM 0 HG3ALYS A 228 9.179 -37.743 23.542 0.63 12.20 H new ATOM 0 HG3BLYS A 228 8.977 -38.280 21.486 0.37 12.20 H new ATOM 0 HD2ALYS A 228 10.758 -39.428 23.240 0.63 16.05 H new ATOM 0 HD2BLYS A 228 9.741 -37.479 24.096 0.37 16.05 H new ATOM 0 HD3ALYS A 228 10.142 -39.850 21.871 0.63 16.05 H new ATOM 0 HD3BLYS A 228 10.040 -36.673 22.795 0.37 16.05 H new ATOM 0 HE2ALYS A 228 10.781 -37.639 20.990 0.63 19.38 H new ATOM 0 HE2BLYS A 228 7.857 -36.154 22.485 0.37 19.38 H new ATOM 0 HE3ALYS A 228 11.548 -37.383 22.324 0.63 19.38 H new ATOM 0 HE3BLYS A 228 7.380 -37.260 23.475 0.37 19.38 H new ATOM 0 HZ1ALYS A 228 13.030 -38.191 20.819 0.63 19.17 H new ATOM 0 HZ1BLYS A 228 7.215 -35.713 24.862 0.37 19.17 H new ATOM 0 HZ2ALYS A 228 12.862 -39.242 21.808 0.63 19.17 H new ATOM 0 HZ2BLYS A 228 8.664 -35.664 24.945 0.37 19.17 H new ATOM 0 HZ3ALYS A 228 12.204 -39.348 20.516 0.63 19.17 H new ATOM 0 HZ3BLYS A 228 7.958 -34.768 24.046 0.37 19.17 H new ATOM 1939 N ALA A 229 5.524 -41.531 22.832 1.00 9.78 N ATOM 1940 CA ALA A 229 4.676 -42.547 23.481 1.00 10.17 C ATOM 1941 C ALA A 229 4.279 -43.726 22.599 1.00 9.11 C ATOM 1942 O ALA A 229 4.077 -44.828 23.098 1.00 10.41 O ATOM 1943 CB ALA A 229 3.432 -41.881 24.026 1.00 10.63 C ATOM 0 H ALA A 229 5.087 -40.946 22.378 1.00 9.78 H new ATOM 0 HA ALA A 229 5.220 -42.929 24.187 1.00 10.17 H new ATOM 0 HB1 ALA A 229 2.870 -42.546 24.454 1.00 10.63 H new ATOM 0 HB2 ALA A 229 3.684 -41.205 24.674 1.00 10.63 H new ATOM 0 HB3 ALA A 229 2.943 -41.465 23.299 1.00 10.63 H new ATOM 1944 N PHE A 230 4.180 -43.493 21.292 1.00 8.90 N ATOM 1945 CA PHE A 230 3.603 -44.463 20.364 1.00 10.07 C ATOM 1946 C PHE A 230 4.428 -44.749 19.115 1.00 10.47 C ATOM 1947 O PHE A 230 4.118 -45.734 18.409 1.00 11.44 O ATOM 1948 CB PHE A 230 2.206 -44.039 19.867 1.00 11.24 C ATOM 1949 CG PHE A 230 1.131 -44.058 20.903 1.00 10.06 C ATOM 1950 CD1 PHE A 230 0.713 -42.882 21.517 1.00 12.33 C ATOM 1951 CD2 PHE A 230 0.411 -45.223 21.138 1.00 12.57 C ATOM 1952 CE1 PHE A 230 -0.364 -42.907 22.445 1.00 10.94 C ATOM 1953 CE2 PHE A 230 -0.649 -45.220 22.077 1.00 12.39 C ATOM 1954 CZ PHE A 230 -1.045 -44.097 22.676 1.00 11.72 C ATOM 0 H PHE A 230 4.446 -42.766 20.918 1.00 8.90 H new ATOM 0 HA PHE A 230 3.570 -45.267 20.906 1.00 10.07 H new ATOM 0 HB2 PHE A 230 2.267 -43.143 19.501 1.00 11.24 H new ATOM 0 HB3 PHE A 230 1.945 -44.626 19.140 1.00 11.24 H new ATOM 0 HD1 PHE A 230 1.138 -42.079 21.320 1.00 12.33 H new ATOM 0 HD2 PHE A 230 0.625 -46.003 20.679 1.00 12.57 H new ATOM 0 HE1 PHE A 230 -0.612 -42.132 22.895 1.00 10.94 H new ATOM 0 HE2 PHE A 230 -1.078 -46.019 22.280 1.00 12.39 H new ATOM 0 HZ PHE A 230 -1.777 -44.109 23.249 1.00 11.72 H new ATOM 1955 N GLY A 231 5.409 -43.906 18.809 1.00 10.46 N ATOM 1956 CA GLY A 231 6.247 -44.099 17.615 1.00 12.02 C ATOM 1957 C GLY A 231 5.755 -43.355 16.391 1.00 10.81 C ATOM 1958 O GLY A 231 4.626 -42.857 16.329 1.00 10.58 O ATOM 0 H GLY A 231 5.611 -43.213 19.277 1.00 10.46 H new ATOM 0 HA2 GLY A 231 7.151 -43.811 17.816 1.00 12.02 H new ATOM 0 HA3 GLY A 231 6.290 -45.046 17.411 1.00 12.02 H new ATOM 1959 N GLU A 232 6.622 -43.322 15.384 1.00 11.40 N ATOM 1960 CA AGLU A 232 6.411 -42.532 14.186 0.50 11.31 C ATOM 1961 CA BGLU A 232 6.404 -42.513 14.163 0.50 11.59 C ATOM 1962 C GLU A 232 5.183 -42.917 13.374 1.00 11.10 C ATOM 1963 O GLU A 232 4.386 -42.060 12.998 1.00 11.30 O ATOM 1964 CB AGLU A 232 7.682 -42.650 13.351 0.50 12.45 C ATOM 1965 CB BGLU A 232 7.657 -42.546 13.258 0.50 12.88 C ATOM 1966 CG AGLU A 232 8.892 -41.898 13.951 0.50 13.56 C ATOM 1967 CG BGLU A 232 7.596 -41.718 11.953 0.50 15.77 C ATOM 1968 CD AGLU A 232 9.686 -42.634 15.096 0.50 16.32 C ATOM 1969 CD BGLU A 232 8.967 -41.540 11.260 0.50 21.41 C ATOM 1970 OE1AGLU A 232 9.407 -43.786 15.541 0.50 9.39 O ATOM 1971 OE1BGLU A 232 9.847 -42.406 11.423 0.50 26.03 O ATOM 1972 OE2AGLU A 232 10.663 -42.011 15.549 0.50 23.43 O ATOM 1973 OE2BGLU A 232 9.152 -40.519 10.560 0.50 23.18 O ATOM 0 H AGLU A 232 7.359 -43.766 15.381 0.50 11.40 H new ATOM 0 H BGLU A 232 7.359 -43.766 15.380 0.50 11.40 H new ATOM 0 HA AGLU A 232 6.231 -41.617 14.453 0.50 11.59 H new ATOM 0 HA BGLU A 232 6.243 -41.607 14.471 0.50 11.59 H new ATOM 0 HB2AGLU A 232 7.910 -43.588 13.254 0.50 12.88 H new ATOM 0 HB2BGLU A 232 8.414 -42.235 13.778 0.50 12.88 H new ATOM 0 HB3AGLU A 232 7.507 -42.307 12.461 0.50 12.88 H new ATOM 0 HB3BGLU A 232 7.835 -43.470 13.022 0.50 12.88 H new ATOM 0 HG2AGLU A 232 9.512 -41.700 13.232 0.50 15.77 H new ATOM 0 HG2BGLU A 232 6.985 -42.149 11.335 0.50 15.77 H new ATOM 0 HG3AGLU A 232 8.579 -41.048 14.298 0.50 15.77 H new ATOM 0 HG3BGLU A 232 7.228 -40.843 12.152 0.50 15.77 H new ATOM 1974 N ALA A 233 4.991 -44.198 13.116 1.00 12.09 N ATOM 1975 CA ALA A 233 3.876 -44.660 12.298 1.00 11.43 C ATOM 1976 C ALA A 233 2.546 -44.394 12.971 1.00 10.24 C ATOM 1977 O ALA A 233 1.569 -43.929 12.330 1.00 11.62 O ATOM 1978 CB ALA A 233 4.004 -46.142 11.943 1.00 12.32 C ATOM 0 H ALA A 233 5.500 -44.827 13.408 1.00 12.09 H new ATOM 0 HA ALA A 233 3.908 -44.151 11.473 1.00 11.43 H new ATOM 0 HB1 ALA A 233 3.247 -46.412 11.400 1.00 12.32 H new ATOM 0 HB2 ALA A 233 4.825 -46.286 11.446 1.00 12.32 H new ATOM 0 HB3 ALA A 233 4.022 -46.670 12.757 1.00 12.32 H new ATOM 1979 N TRP A 234 2.485 -44.664 14.270 1.00 10.66 N ATOM 1980 CA TRP A 234 1.246 -44.397 15.023 1.00 10.49 C ATOM 1981 C TRP A 234 0.932 -42.907 14.989 1.00 9.70 C ATOM 1982 O TRP A 234 -0.213 -42.498 14.765 1.00 9.99 O ATOM 1983 CB TRP A 234 1.373 -44.893 16.449 1.00 10.53 C ATOM 1984 CG TRP A 234 0.120 -44.851 17.265 1.00 9.15 C ATOM 1985 CD1 TRP A 234 -0.647 -45.916 17.619 1.00 10.22 C ATOM 1986 CD2 TRP A 234 -0.477 -43.709 17.947 1.00 9.76 C ATOM 1987 NE1 TRP A 234 -1.700 -45.540 18.431 1.00 9.39 N ATOM 1988 CE2 TRP A 234 -1.610 -44.186 18.643 1.00 9.63 C ATOM 1989 CE3 TRP A 234 -0.142 -42.338 18.047 1.00 9.58 C ATOM 1990 CZ2 TRP A 234 -2.444 -43.335 19.409 1.00 10.32 C ATOM 1991 CZ3 TRP A 234 -0.983 -41.492 18.768 1.00 11.01 C ATOM 1992 CH2 TRP A 234 -2.108 -42.006 19.454 1.00 10.62 C ATOM 0 H TRP A 234 3.130 -44.995 14.733 1.00 10.66 H new ATOM 0 HA TRP A 234 0.513 -44.877 14.606 1.00 10.49 H new ATOM 0 HB2 TRP A 234 1.695 -45.808 16.428 1.00 10.53 H new ATOM 0 HB3 TRP A 234 2.050 -44.364 16.899 1.00 10.53 H new ATOM 0 HD1 TRP A 234 -0.483 -46.790 17.348 1.00 10.22 H new ATOM 0 HE1 TRP A 234 -2.305 -46.062 18.748 1.00 9.39 H new ATOM 0 HE3 TRP A 234 0.626 -42.007 17.639 1.00 9.58 H new ATOM 0 HZ2 TRP A 234 -3.187 -43.663 19.862 1.00 10.32 H new ATOM 0 HZ3 TRP A 234 -0.803 -40.580 18.798 1.00 11.01 H new ATOM 0 HH2 TRP A 234 -2.637 -41.424 19.951 1.00 10.62 H new ATOM 1993 N ALA A 235 1.942 -42.064 15.231 1.00 9.89 N ATOM 1994 CA ALA A 235 1.730 -40.629 15.264 1.00 9.31 C ATOM 1995 C ALA A 235 1.262 -40.111 13.926 1.00 10.06 C ATOM 1996 O ALA A 235 0.397 -39.234 13.891 1.00 10.57 O ATOM 1997 CB ALA A 235 3.011 -39.952 15.657 1.00 10.66 C ATOM 0 H ALA A 235 2.753 -42.310 15.377 1.00 9.89 H new ATOM 0 HA ALA A 235 1.038 -40.433 15.914 1.00 9.31 H new ATOM 0 HB1 ALA A 235 2.876 -38.992 15.681 1.00 10.66 H new ATOM 0 HB2 ALA A 235 3.285 -40.261 16.535 1.00 10.66 H new ATOM 0 HB3 ALA A 235 3.701 -40.165 15.010 1.00 10.66 H new ATOM 1998 N GLU A 236 1.833 -40.607 12.824 1.00 10.23 N ATOM 1999 CA GLU A 236 1.434 -40.166 11.501 1.00 11.70 C ATOM 2000 C GLU A 236 -0.020 -40.588 11.231 1.00 11.08 C ATOM 2001 O GLU A 236 -0.799 -39.788 10.686 1.00 11.64 O ATOM 2002 CB GLU A 236 2.393 -40.769 10.448 1.00 12.61 C ATOM 2003 CG GLU A 236 1.883 -40.609 9.007 1.00 13.27 C ATOM 2004 CD GLU A 236 1.684 -39.159 8.569 1.00 14.67 C ATOM 2005 OE1 GLU A 236 0.922 -38.964 7.584 1.00 17.76 O ATOM 2006 OE2 GLU A 236 2.300 -38.234 9.132 1.00 18.28 O ATOM 0 H GLU A 236 2.455 -41.201 12.830 1.00 10.23 H new ATOM 0 HA GLU A 236 1.484 -39.199 11.445 1.00 11.70 H new ATOM 0 HB2 GLU A 236 3.261 -40.343 10.527 1.00 12.61 H new ATOM 0 HB3 GLU A 236 2.521 -41.712 10.637 1.00 12.61 H new ATOM 0 HG2 GLU A 236 2.511 -41.035 8.403 1.00 13.27 H new ATOM 0 HG3 GLU A 236 1.040 -41.081 8.919 1.00 13.27 H new ATOM 2007 N ARG A 237 -0.416 -41.805 11.606 1.00 10.93 N ATOM 2008 CA AARG A 237 -1.801 -42.229 11.473 0.50 11.42 C ATOM 2009 CA BARG A 237 -1.804 -42.208 11.437 0.50 11.09 C ATOM 2010 C ARG A 237 -2.747 -41.349 12.304 1.00 10.97 C ATOM 2011 O ARG A 237 -3.807 -40.923 11.829 1.00 11.60 O ATOM 2012 CB AARG A 237 -1.928 -43.696 11.911 0.50 10.84 C ATOM 2013 CB BARG A 237 -1.981 -43.711 11.739 0.50 10.59 C ATOM 2014 CG AARG A 237 -3.372 -44.178 12.056 0.50 12.36 C ATOM 2015 CG BARG A 237 -3.404 -44.220 11.462 0.50 10.30 C ATOM 2016 CD AARG A 237 -3.443 -45.703 12.243 0.50 14.06 C ATOM 2017 CD BARG A 237 -3.544 -45.728 11.750 0.50 13.09 C ATOM 2018 NE AARG A 237 -4.840 -46.060 12.487 0.50 14.11 N ATOM 2019 NE BARG A 237 -4.967 -46.082 11.831 0.50 16.28 N ATOM 2020 CZ AARG A 237 -5.752 -46.240 11.526 0.50 15.56 C ATOM 2021 CZ BARG A 237 -5.742 -45.866 12.901 0.50 17.08 C ATOM 2022 NH1AARG A 237 -7.022 -46.471 11.841 0.50 16.93 N ATOM 2023 NH1BARG A 237 -7.037 -46.171 12.863 0.50 16.61 N ATOM 2024 NH2AARG A 237 -5.396 -46.199 10.254 0.50 17.73 N ATOM 2025 NH2BARG A 237 -5.223 -45.341 14.017 0.50 18.84 N ATOM 0 H AARG A 237 0.108 -42.399 11.941 0.50 10.93 H new ATOM 0 H BARG A 237 0.097 -42.401 11.954 0.50 10.93 H new ATOM 0 HA AARG A 237 -2.058 -42.137 10.542 0.50 11.09 H new ATOM 0 HA BARG A 237 -2.046 -42.059 10.509 0.50 11.09 H new ATOM 0 HB2AARG A 237 -1.472 -44.258 11.265 0.50 10.59 H new ATOM 0 HB2BARG A 237 -1.352 -44.219 11.203 0.50 10.59 H new ATOM 0 HB3AARG A 237 -1.471 -43.812 12.759 0.50 10.59 H new ATOM 0 HB3BARG A 237 -1.760 -43.876 12.669 0.50 10.59 H new ATOM 0 HG2AARG A 237 -3.786 -43.738 12.815 0.50 10.30 H new ATOM 0 HG2BARG A 237 -4.035 -43.727 12.009 0.50 10.30 H new ATOM 0 HG3AARG A 237 -3.879 -43.924 11.269 0.50 10.30 H new ATOM 0 HG3BARG A 237 -3.635 -44.046 10.536 0.50 10.30 H new ATOM 0 HD2AARG A 237 -3.109 -46.158 11.454 0.50 13.09 H new ATOM 0 HD2BARG A 237 -3.112 -46.242 11.050 0.50 13.09 H new ATOM 0 HD3AARG A 237 -2.886 -45.980 12.987 0.50 13.09 H new ATOM 0 HD3BARG A 237 -3.098 -45.951 12.582 0.50 13.09 H new ATOM 0 HE AARG A 237 -5.092 -46.161 13.303 0.50 16.28 H new ATOM 0 HE BARG A 237 -5.327 -46.453 11.144 0.50 16.28 H new ATOM 0 HH11AARG A 237 -7.261 -46.505 12.666 0.50 16.61 H new ATOM 0 HH11BARG A 237 -7.379 -46.508 12.149 0.50 16.61 H new ATOM 0 HH12AARG A 237 -7.605 -46.586 11.219 0.50 16.61 H new ATOM 0 HH12BARG A 237 -7.532 -46.031 13.552 0.50 16.61 H new ATOM 0 HH21AARG A 237 -4.575 -46.056 10.042 0.50 18.84 H new ATOM 0 HH21BARG A 237 -4.387 -45.140 14.050 0.50 18.84 H new ATOM 0 HH22AARG A 237 -5.985 -46.315 9.639 0.50 18.84 H new ATOM 0 HH22BARG A 237 -5.725 -45.204 14.702 0.50 18.84 H new ATOM 2026 N TYR A 238 -2.359 -41.100 13.536 1.00 10.70 N ATOM 2027 CA ATYR A 238 -3.170 -40.280 14.477 0.50 10.38 C ATOM 2028 CA BTYR A 238 -3.235 -40.313 14.410 0.50 10.98 C ATOM 2029 C TYR A 238 -3.394 -38.881 13.909 1.00 10.33 C ATOM 2030 O TYR A 238 -4.519 -38.370 13.831 1.00 11.48 O ATOM 2031 CB ATYR A 238 -2.521 -40.223 15.874 0.50 10.51 C ATOM 2032 CB BTYR A 238 -2.733 -40.376 15.829 0.50 11.44 C ATOM 2033 CG ATYR A 238 -3.533 -39.926 16.973 0.50 9.33 C ATOM 2034 CG BTYR A 238 -3.631 -39.689 16.818 0.50 11.56 C ATOM 2035 CD1ATYR A 238 -4.343 -40.937 17.494 0.50 8.61 C ATOM 2036 CD1BTYR A 238 -4.776 -40.295 17.290 0.50 12.81 C ATOM 2037 CD2ATYR A 238 -3.685 -38.637 17.474 0.50 9.58 C ATOM 2038 CD2BTYR A 238 -3.318 -38.427 17.298 0.50 13.53 C ATOM 2039 CE1ATYR A 238 -5.268 -40.673 18.483 0.50 7.89 C ATOM 2040 CE1BTYR A 238 -5.589 -39.654 18.212 0.50 12.94 C ATOM 2041 CE2ATYR A 238 -4.606 -38.357 18.469 0.50 10.14 C ATOM 2042 CE2BTYR A 238 -4.114 -37.790 18.239 0.50 16.29 C ATOM 2043 CZ ATYR A 238 -5.399 -39.365 18.961 0.50 7.53 C ATOM 2044 CZ BTYR A 238 -5.248 -38.397 18.680 0.50 13.82 C ATOM 2045 OH ATYR A 238 -6.333 -39.084 19.915 0.50 9.06 O ATOM 2046 OH BTYR A 238 -6.049 -37.774 19.610 0.50 13.76 O ATOM 0 H ATYR A 238 -1.622 -41.391 13.871 0.50 10.70 H new ATOM 0 H BTYR A 238 -1.619 -41.362 13.888 0.50 10.70 H new ATOM 0 HA ATYR A 238 -4.036 -40.705 14.581 0.50 10.98 H new ATOM 0 HA BTYR A 238 -4.124 -40.701 14.391 0.50 10.98 H new ATOM 0 HB2ATYR A 238 -2.085 -41.069 16.060 0.50 11.44 H new ATOM 0 HB2BTYR A 238 -2.632 -41.306 16.087 0.50 11.44 H new ATOM 0 HB3ATYR A 238 -1.831 -39.541 15.880 0.50 11.44 H new ATOM 0 HB3BTYR A 238 -1.852 -39.973 15.870 0.50 11.44 H new ATOM 0 HD1ATYR A 238 -4.257 -41.804 17.168 0.50 12.81 H new ATOM 0 HD1BTYR A 238 -5.006 -41.144 16.986 0.50 12.81 H new ATOM 0 HD2ATYR A 238 -3.158 -37.950 17.134 0.50 13.53 H new ATOM 0 HD2BTYR A 238 -2.556 -37.997 16.982 0.50 13.53 H new ATOM 0 HE1ATYR A 238 -5.797 -41.356 18.827 0.50 12.94 H new ATOM 0 HE1BTYR A 238 -6.364 -40.069 18.516 0.50 12.94 H new ATOM 0 HE2ATYR A 238 -4.687 -37.492 18.802 0.50 16.29 H new ATOM 0 HE2BTYR A 238 -3.874 -36.953 18.566 0.50 16.29 H new ATOM 0 HH ATYR A 238 -6.396 -38.252 20.009 0.50 13.76 H new ATOM 0 HH BTYR A 238 -5.632 -37.131 19.954 0.50 13.76 H new ATOM 2047 N MET A 239 -2.302 -38.242 13.500 1.00 10.35 N ATOM 2048 CA MET A 239 -2.401 -36.853 13.016 1.00 10.22 C ATOM 2049 C MET A 239 -3.157 -36.739 11.709 1.00 11.19 C ATOM 2050 O MET A 239 -3.928 -35.791 11.515 1.00 11.66 O ATOM 2051 CB MET A 239 -1.021 -36.208 12.907 1.00 10.39 C ATOM 2052 CG MET A 239 -0.398 -36.052 14.260 1.00 11.98 C ATOM 2053 SD MET A 239 1.208 -35.246 14.217 1.00 13.07 S ATOM 2054 CE MET A 239 0.784 -33.561 13.870 1.00 16.92 C ATOM 0 H MET A 239 -1.510 -38.578 13.491 1.00 10.35 H new ATOM 0 HA MET A 239 -2.916 -36.367 13.679 1.00 10.22 H new ATOM 0 HB2 MET A 239 -0.449 -36.752 12.344 1.00 10.39 H new ATOM 0 HB3 MET A 239 -1.098 -35.341 12.480 1.00 10.39 H new ATOM 0 HG2 MET A 239 -0.995 -35.539 14.826 1.00 11.98 H new ATOM 0 HG3 MET A 239 -0.303 -36.927 14.668 1.00 11.98 H new ATOM 0 HE1 MET A 239 1.215 -33.282 13.047 1.00 16.92 H new ATOM 0 HE2 MET A 239 -0.178 -33.482 13.774 1.00 16.92 H new ATOM 0 HE3 MET A 239 1.083 -32.995 14.599 1.00 16.92 H new ATOM 2055 N SER A 240 -2.955 -37.718 10.816 1.00 11.09 N ATOM 2056 CA SER A 240 -3.538 -37.641 9.486 1.00 12.57 C ATOM 2057 C SER A 240 -4.911 -38.245 9.374 1.00 13.01 C ATOM 2058 O SER A 240 -5.640 -37.863 8.452 1.00 13.80 O ATOM 2059 CB SER A 240 -2.599 -38.271 8.421 1.00 12.14 C ATOM 2060 OG SER A 240 -2.536 -39.686 8.540 1.00 12.90 O ATOM 0 H SER A 240 -2.488 -38.424 10.966 1.00 11.09 H new ATOM 0 HA SER A 240 -3.640 -36.692 9.315 1.00 12.57 H new ATOM 0 HB2 SER A 240 -2.913 -38.035 7.534 1.00 12.14 H new ATOM 0 HB3 SER A 240 -1.708 -37.899 8.515 1.00 12.14 H new ATOM 0 HG SER A 240 -2.036 -39.891 9.183 1.00 12.90 H new ATOM 2061 N GLN A 241 -5.258 -39.189 10.260 1.00 12.67 N ATOM 2062 CA AGLN A 241 -6.545 -39.887 10.147 0.33 14.50 C ATOM 2063 CA BGLN A 241 -6.534 -39.929 10.166 0.67 14.51 C ATOM 2064 C GLN A 241 -7.482 -39.588 11.314 1.00 14.73 C ATOM 2065 O GLN A 241 -8.711 -39.567 11.126 1.00 17.43 O ATOM 2066 CB AGLN A 241 -6.349 -41.400 9.958 0.33 14.96 C ATOM 2067 CB BGLN A 241 -6.290 -41.447 10.170 0.67 15.16 C ATOM 2068 CG AGLN A 241 -5.663 -41.746 8.647 0.33 15.52 C ATOM 2069 CG BGLN A 241 -5.321 -41.953 9.095 0.67 15.43 C ATOM 2070 CD AGLN A 241 -5.464 -43.227 8.442 0.33 19.03 C ATOM 2071 CD BGLN A 241 -5.680 -41.491 7.696 0.67 20.32 C ATOM 2072 OE1AGLN A 241 -6.420 -43.993 8.431 0.33 21.11 O ATOM 2073 OE1BGLN A 241 -6.824 -41.659 7.250 0.67 23.14 O ATOM 2074 NE2AGLN A 241 -4.222 -43.635 8.256 0.33 20.04 N ATOM 2075 NE2BGLN A 241 -4.713 -40.912 6.992 0.67 19.51 N ATOM 0 H AGLN A 241 -4.770 -39.436 10.924 0.33 12.67 H new ATOM 0 H BGLN A 241 -4.767 -39.419 10.928 0.67 12.67 H new ATOM 0 HA AGLN A 241 -6.977 -39.540 9.351 0.33 14.51 H new ATOM 0 HA BGLN A 241 -6.945 -39.660 9.329 0.67 14.51 H new ATOM 0 HB2AGLN A 241 -5.823 -41.748 10.695 0.33 15.16 H new ATOM 0 HB2BGLN A 241 -5.948 -41.703 11.041 0.67 15.16 H new ATOM 0 HB3AGLN A 241 -7.213 -41.841 9.992 0.33 15.16 H new ATOM 0 HB3BGLN A 241 -7.141 -41.898 10.056 0.67 15.16 H new ATOM 0 HG2AGLN A 241 -6.189 -41.393 7.912 0.33 15.43 H new ATOM 0 HG2BGLN A 241 -4.425 -41.650 9.308 0.67 15.43 H new ATOM 0 HG3AGLN A 241 -4.800 -41.304 8.616 0.33 15.43 H new ATOM 0 HG3BGLN A 241 -5.305 -42.923 9.114 0.67 15.43 H new ATOM 0 HE21AGLN A 241 -3.576 -43.067 8.271 0.33 19.51 H new ATOM 0 HE21BGLN A 241 -3.931 -40.813 7.336 0.67 19.51 H new ATOM 0 HE22AGLN A 241 -4.059 -44.468 8.120 0.33 19.51 H new ATOM 0 HE22BGLN A 241 -4.869 -40.636 6.192 0.67 19.51 H new ATOM 2076 N VAL A 242 -6.946 -39.310 12.483 1.00 14.81 N ATOM 2077 CA VAL A 242 -7.797 -39.024 13.671 1.00 15.82 C ATOM 2078 C VAL A 242 -7.930 -37.511 13.933 1.00 15.12 C ATOM 2079 O VAL A 242 -9.037 -37.017 14.223 1.00 17.37 O ATOM 2080 CB VAL A 242 -7.259 -39.742 14.936 1.00 14.91 C ATOM 2081 CG1 VAL A 242 -8.207 -39.426 16.111 1.00 17.31 C ATOM 2082 CG2 VAL A 242 -7.137 -41.266 14.692 1.00 16.75 C ATOM 0 H VAL A 242 -6.100 -39.277 12.631 1.00 14.81 H new ATOM 0 HA VAL A 242 -8.681 -39.371 13.472 1.00 15.82 H new ATOM 0 HB VAL A 242 -6.368 -39.423 15.149 1.00 14.91 H new ATOM 0 HG11 VAL A 242 -7.887 -39.867 16.913 1.00 17.31 H new ATOM 0 HG12 VAL A 242 -8.232 -38.468 16.258 1.00 17.31 H new ATOM 0 HG13 VAL A 242 -9.099 -39.744 15.902 1.00 17.31 H new ATOM 0 HG21 VAL A 242 -6.800 -41.696 15.493 1.00 16.75 H new ATOM 0 HG22 VAL A 242 -8.009 -41.630 14.473 1.00 16.75 H new ATOM 0 HG23 VAL A 242 -6.526 -41.428 13.957 1.00 16.75 H new ATOM 2083 N LEU A 243 -6.854 -36.761 13.933 1.00 15.54 N ATOM 2084 CA LEU A 243 -6.899 -35.317 14.268 1.00 14.67 C ATOM 2085 C LEU A 243 -7.309 -34.457 13.064 1.00 15.60 C ATOM 2086 O LEU A 243 -8.253 -33.680 13.183 1.00 16.73 O ATOM 2087 CB LEU A 243 -5.573 -34.800 14.817 1.00 16.34 C ATOM 2088 CG LEU A 243 -5.169 -35.363 16.175 1.00 16.70 C ATOM 2089 CD1 LEU A 243 -3.815 -34.781 16.594 1.00 21.08 C ATOM 2090 CD2 LEU A 243 -6.243 -35.315 17.220 1.00 24.18 C ATOM 0 H LEU A 243 -6.068 -37.054 13.742 1.00 15.54 H new ATOM 0 HA LEU A 243 -7.573 -35.237 14.961 1.00 14.67 H new ATOM 0 HB2 LEU A 243 -4.873 -35.004 14.177 1.00 16.34 H new ATOM 0 HB3 LEU A 243 -5.622 -33.834 14.885 1.00 16.34 H new ATOM 0 HG LEU A 243 -5.049 -36.321 16.077 1.00 16.70 H new ATOM 0 HD11 LEU A 243 -3.561 -35.141 17.458 1.00 21.08 H new ATOM 0 HD12 LEU A 243 -3.143 -35.018 15.936 1.00 21.08 H new ATOM 0 HD13 LEU A 243 -3.882 -33.815 16.654 1.00 21.08 H new ATOM 0 HD21 LEU A 243 -5.906 -35.690 18.048 1.00 24.18 H new ATOM 0 HD22 LEU A 243 -6.510 -34.394 17.368 1.00 24.18 H new ATOM 0 HD23 LEU A 243 -7.009 -35.830 16.921 1.00 24.18 H new ATOM 2091 N PHE A 244 -6.606 -34.545 11.939 1.00 13.27 N ATOM 2092 CA PHE A 244 -6.678 -33.557 10.837 1.00 12.71 C ATOM 2093 C PHE A 244 -6.878 -34.273 9.553 1.00 14.35 C ATOM 2094 O PHE A 244 -6.032 -34.268 8.642 1.00 15.90 O ATOM 2095 CB PHE A 244 -5.421 -32.722 10.828 1.00 11.98 C ATOM 2096 CG PHE A 244 -5.190 -32.007 12.106 1.00 12.33 C ATOM 2097 CD1 PHE A 244 -4.100 -32.336 12.903 1.00 14.02 C ATOM 2098 CD2 PHE A 244 -6.053 -30.994 12.492 1.00 13.22 C ATOM 2099 CE1 PHE A 244 -3.899 -31.649 14.091 1.00 15.78 C ATOM 2100 CE2 PHE A 244 -5.830 -30.324 13.697 1.00 14.25 C ATOM 2101 CZ PHE A 244 -4.786 -30.648 14.467 1.00 15.06 C ATOM 0 H PHE A 244 -6.060 -35.190 11.782 1.00 13.27 H new ATOM 0 HA PHE A 244 -7.429 -32.957 10.965 1.00 12.71 H new ATOM 0 HB2 PHE A 244 -4.660 -33.294 10.641 1.00 11.98 H new ATOM 0 HB3 PHE A 244 -5.473 -32.076 10.107 1.00 11.98 H new ATOM 0 HD1 PHE A 244 -3.513 -33.009 12.643 1.00 14.02 H new ATOM 0 HD2 PHE A 244 -6.775 -30.762 11.953 1.00 13.22 H new ATOM 0 HE1 PHE A 244 -3.173 -31.858 14.634 1.00 15.78 H new ATOM 0 HE2 PHE A 244 -6.411 -29.649 13.965 1.00 14.25 H new ATOM 0 HZ PHE A 244 -4.651 -30.195 15.268 1.00 15.06 H new ATOM 2102 N ASP A 245 -8.000 -34.973 9.482 1.00 16.44 N ATOM 2103 CA ASP A 245 -8.273 -35.814 8.334 1.00 18.29 C ATOM 2104 C ASP A 245 -8.537 -34.940 7.108 1.00 21.70 C ATOM 2105 O ASP A 245 -9.239 -33.932 7.219 1.00 22.18 O ATOM 2106 CB ASP A 245 -9.437 -36.762 8.667 1.00 18.30 C ATOM 2107 CG ASP A 245 -10.712 -36.004 9.193 1.00 21.69 C ATOM 2108 OD1 ASP A 245 -10.650 -35.089 10.077 1.00 22.97 O ATOM 2109 OD2 ASP A 245 -11.802 -36.389 8.725 1.00 24.58 O ATOM 0 H ASP A 245 -8.612 -34.974 10.086 1.00 16.44 H new ATOM 0 HA ASP A 245 -7.506 -36.368 8.120 1.00 18.29 H new ATOM 0 HB2 ASP A 245 -9.672 -37.269 7.874 1.00 18.30 H new ATOM 0 HB3 ASP A 245 -9.147 -37.401 9.337 1.00 18.30 H new ATOM 2110 N VAL A 246 -7.898 -35.248 5.980 1.00 23.28 N ATOM 2111 CA VAL A 246 -8.044 -34.416 4.784 1.00 27.00 C ATOM 2112 C VAL A 246 -9.248 -34.992 4.059 1.00 29.42 C ATOM 2113 O VAL A 246 -9.274 -36.186 3.735 1.00 30.82 O ATOM 2114 CB VAL A 246 -6.778 -34.450 3.921 1.00 25.69 C ATOM 2115 CG1 VAL A 246 -7.078 -33.990 2.476 1.00 27.60 C ATOM 2116 CG2 VAL A 246 -5.662 -33.599 4.570 1.00 27.39 C ATOM 0 H VAL A 246 -7.380 -35.928 5.886 1.00 23.28 H new ATOM 0 HA VAL A 246 -8.173 -33.479 5.000 1.00 27.00 H new ATOM 0 HB VAL A 246 -6.464 -35.366 3.870 1.00 25.69 H new ATOM 0 HG11 VAL A 246 -6.263 -34.020 1.951 1.00 27.60 H new ATOM 0 HG12 VAL A 246 -7.740 -34.578 2.080 1.00 27.60 H new ATOM 0 HG13 VAL A 246 -7.420 -33.082 2.490 1.00 27.60 H new ATOM 0 HG21 VAL A 246 -4.867 -33.629 4.014 1.00 27.39 H new ATOM 0 HG22 VAL A 246 -5.963 -32.681 4.654 1.00 27.39 H new ATOM 0 HG23 VAL A 246 -5.455 -33.953 5.449 1.00 27.39 H new ATOM 2117 N ILE A 247 -10.255 -34.136 3.863 1.00 32.46 N ATOM 2118 CA ILE A 247 -11.528 -34.546 3.269 1.00 34.96 C ATOM 2119 C ILE A 247 -11.484 -34.323 1.754 1.00 36.12 C ATOM 2120 O ILE A 247 -12.511 -34.400 1.080 1.00 38.84 O ATOM 2121 CB ILE A 247 -12.742 -33.806 3.915 1.00 35.16 C ATOM 2122 CG1 ILE A 247 -12.619 -32.291 3.711 1.00 35.31 C ATOM 2123 CG2 ILE A 247 -12.850 -34.159 5.402 1.00 35.88 C ATOM 2124 CD1 ILE A 247 -13.766 -31.484 4.274 1.00 35.67 C ATOM 0 H ILE A 247 -10.218 -33.302 4.071 1.00 32.46 H new ATOM 0 HA ILE A 247 -11.655 -35.491 3.447 1.00 34.96 H new ATOM 0 HB ILE A 247 -13.556 -34.099 3.477 1.00 35.16 H new ATOM 0 HG12 ILE A 247 -11.794 -31.988 4.121 1.00 35.31 H new ATOM 0 HG13 ILE A 247 -12.547 -32.109 2.761 1.00 35.31 H new ATOM 0 HG21 ILE A 247 -13.607 -33.694 5.791 1.00 35.88 H new ATOM 0 HG22 ILE A 247 -12.975 -35.116 5.499 1.00 35.88 H new ATOM 0 HG23 ILE A 247 -12.037 -33.891 5.858 1.00 35.88 H new ATOM 0 HD11 ILE A 247 -13.613 -30.541 4.104 1.00 35.67 H new ATOM 0 HD12 ILE A 247 -14.594 -31.758 3.849 1.00 35.67 H new ATOM 0 HD13 ILE A 247 -13.829 -31.634 5.230 1.00 35.67 H new TER 2125 ILE A 247 HETATM 2126 C1 EDO A 401 -26.571 -13.012 27.547 1.00 33.58 C HETATM 2127 O1 EDO A 401 -25.804 -11.945 28.092 1.00 35.13 O HETATM 2128 C2 EDO A 401 -25.926 -13.350 26.215 1.00 36.88 C HETATM 2129 O2 EDO A 401 -24.854 -14.271 26.435 1.00 38.51 O HETATM 0 HO2 EDO A 401 -24.494 -14.463 25.701 1.00 38.51 H new HETATM 0 HO1 EDO A 401 -26.125 -11.720 28.835 1.00 35.13 H new HETATM 0 H22 EDO A 401 -26.582 -13.737 25.614 1.00 36.88 H new HETATM 0 H21 EDO A 401 -25.593 -12.544 25.790 1.00 36.88 H new HETATM 0 H12 EDO A 401 -26.568 -13.780 28.139 1.00 33.58 H new HETATM 0 H11 EDO A 401 -27.497 -12.749 27.428 1.00 33.58 H new HETATM 2130 C1 EDO A 402 -9.164 -20.409 37.365 1.00 30.64 C HETATM 2131 O1 EDO A 402 -10.514 -20.095 37.023 1.00 35.48 O HETATM 2132 C2 EDO A 402 -8.668 -21.486 36.411 1.00 26.83 C HETATM 2133 O2 EDO A 402 -8.401 -20.821 35.164 1.00 24.43 O HETATM 0 HO2 EDO A 402 -7.577 -20.674 35.096 1.00 24.43 H new HETATM 0 HO1 EDO A 402 -10.678 -19.298 37.231 1.00 35.48 H new HETATM 0 H22 EDO A 402 -7.868 -21.912 36.755 1.00 26.83 H new HETATM 0 H21 EDO A 402 -9.334 -22.182 36.297 1.00 26.83 H new HETATM 0 H12 EDO A 402 -8.606 -19.618 37.301 1.00 30.64 H new HETATM 0 H11 EDO A 402 -9.111 -20.720 38.282 1.00 30.64 H new HETATM 2134 C1 EDO A 403 -14.334 -41.190 25.627 1.00 38.64 C HETATM 2135 O1 EDO A 403 -14.791 -42.420 25.036 1.00 39.83 O HETATM 2136 C2 EDO A 403 -12.848 -41.350 25.931 1.00 37.01 C HETATM 2137 O2 EDO A 403 -12.713 -42.026 27.198 1.00 36.22 O HETATM 0 HO2 EDO A 403 -13.124 -41.595 27.791 1.00 36.22 H new HETATM 0 HO1 EDO A 403 -15.214 -42.252 24.330 1.00 39.83 H new HETATM 0 H22 EDO A 403 -12.413 -41.859 25.229 1.00 37.01 H new HETATM 0 H21 EDO A 403 -12.415 -40.483 25.963 1.00 37.01 H new HETATM 0 H12 EDO A 403 -14.480 -40.446 25.022 1.00 38.64 H new HETATM 0 H11 EDO A 403 -14.829 -40.997 26.438 1.00 38.64 H new HETATM 2138 C1 EDO A 404 -22.219 -16.982 8.671 1.00 24.91 C HETATM 2139 O1 EDO A 404 -21.597 -15.754 9.042 1.00 21.68 O HETATM 2140 C2 EDO A 404 -21.687 -17.387 7.314 1.00 28.39 C HETATM 2141 O2 EDO A 404 -21.948 -16.268 6.448 1.00 31.66 O HETATM 0 HO2 EDO A 404 -22.748 -16.291 6.194 1.00 31.66 H new HETATM 0 HO1 EDO A 404 -22.002 -15.422 9.699 1.00 21.68 H new HETATM 0 H22 EDO A 404 -20.738 -17.582 7.355 1.00 28.39 H new HETATM 0 H21 EDO A 404 -22.128 -18.188 6.991 1.00 28.39 H new HETATM 0 H12 EDO A 404 -22.029 -17.670 9.328 1.00 24.91 H new HETATM 0 H11 EDO A 404 -23.183 -16.878 8.640 1.00 24.91 H new HETATM 2142 C1 EDO A 405 -1.263 -13.979 15.735 1.00 28.16 C HETATM 2143 O1 EDO A 405 -2.637 -13.603 15.637 1.00 38.95 O HETATM 2144 C2 EDO A 405 -0.928 -14.624 17.094 1.00 31.37 C HETATM 2145 O2 EDO A 405 -2.080 -14.793 17.951 1.00 24.64 O HETATM 0 HO2 EDO A 405 -2.760 -14.479 17.571 1.00 24.64 H new HETATM 0 HO1 EDO A 405 -2.958 -13.897 14.919 1.00 38.95 H new HETATM 0 H22 EDO A 405 -0.518 -15.490 16.941 1.00 31.37 H new HETATM 0 H21 EDO A 405 -0.271 -14.076 17.551 1.00 31.37 H new HETATM 0 H12 EDO A 405 -1.049 -14.601 15.022 1.00 28.16 H new HETATM 0 H11 EDO A 405 -0.706 -13.196 15.605 1.00 28.16 H new HETATM 2146 C1 EDO A 406 -2.985 -12.475 40.165 1.00 33.18 C HETATM 2147 O1 EDO A 406 -3.104 -11.110 39.740 1.00 37.75 O HETATM 2148 C2 EDO A 406 -4.293 -13.196 39.815 1.00 30.61 C HETATM 2149 O2 EDO A 406 -4.890 -12.605 38.655 1.00 19.57 O HETATM 0 HO2 EDO A 406 -5.645 -12.296 38.855 1.00 19.57 H new HETATM 0 HO1 EDO A 406 -3.630 -11.065 39.087 1.00 37.75 H new HETATM 0 H22 EDO A 406 -4.118 -14.136 39.653 1.00 30.61 H new HETATM 0 H21 EDO A 406 -4.908 -13.146 40.564 1.00 30.61 H new HETATM 0 H12 EDO A 406 -2.234 -12.903 39.725 1.00 33.18 H new HETATM 0 H11 EDO A 406 -2.818 -12.520 41.119 1.00 33.18 H new HETATM 2150 C1 EDO A 407 -22.530 -21.485 23.905 1.00 32.25 C HETATM 2151 O1 EDO A 407 -21.888 -21.571 22.632 1.00 22.96 O HETATM 2152 C2 EDO A 407 -23.536 -20.347 23.849 1.00 32.74 C HETATM 2153 O2 EDO A 407 -24.211 -20.494 22.608 1.00 24.97 O HETATM 0 HO2 EDO A 407 -23.654 -20.675 22.006 1.00 24.97 H new HETATM 0 HO1 EDO A 407 -21.103 -21.280 22.694 1.00 22.96 H new HETATM 0 H22 EDO A 407 -24.158 -20.394 24.592 1.00 32.74 H new HETATM 0 H21 EDO A 407 -23.092 -19.486 23.905 1.00 32.74 H new HETATM 0 H12 EDO A 407 -22.975 -22.320 24.117 1.00 32.25 H new HETATM 0 H11 EDO A 407 -21.877 -21.326 24.604 1.00 32.25 H new HETATM 2154 C1 EDO A 408 -16.665 -16.480 -0.192 1.00 54.01 C HETATM 2155 O1 EDO A 408 -15.265 -16.273 -0.379 1.00 53.73 O HETATM 2156 C2 EDO A 408 -17.256 -16.770 -1.558 1.00 53.96 C HETATM 2157 O2 EDO A 408 -17.337 -18.186 -1.718 1.00 53.46 O HETATM 0 HO2 EDO A 408 -16.616 -18.474 -2.039 1.00 53.46 H new HETATM 0 HO1 EDO A 408 -14.894 -17.006 -0.555 1.00 53.73 H new HETATM 0 H22 EDO A 408 -18.136 -16.370 -1.638 1.00 53.96 H new HETATM 0 H21 EDO A 408 -16.704 -16.382 -2.255 1.00 53.96 H new HETATM 0 H12 EDO A 408 -16.825 -17.220 0.415 1.00 54.01 H new HETATM 0 H11 EDO A 408 -17.078 -15.696 0.201 1.00 54.01 H new HETATM 2158 C1 EDO A 409 -12.534 -43.930 31.910 1.00 88.14 C HETATM 2159 O1 EDO A 409 -13.182 -42.780 32.466 1.00 88.46 O HETATM 2160 C2 EDO A 409 -11.858 -43.545 30.600 1.00 87.82 C HETATM 2161 O2 EDO A 409 -11.042 -42.386 30.807 1.00 87.29 O HETATM 0 HO2 EDO A 409 -11.445 -41.705 30.524 1.00 87.29 H new HETATM 0 HO1 EDO A 409 -13.963 -42.725 32.163 1.00 88.46 H new HETATM 0 H22 EDO A 409 -11.315 -44.281 30.276 1.00 87.82 H new HETATM 0 H21 EDO A 409 -12.526 -43.365 29.920 1.00 87.82 H new HETATM 0 H12 EDO A 409 -11.878 -44.278 32.534 1.00 88.14 H new HETATM 0 H11 EDO A 409 -13.181 -44.636 31.756 1.00 88.14 H new HETATM 2162 C1 EDO A 410 -10.986 -20.850 33.933 1.00 32.75 C HETATM 2163 O1 EDO A 410 -9.867 -20.218 33.316 1.00 34.12 O HETATM 2164 C2 EDO A 410 -11.942 -19.794 34.445 1.00 33.54 C HETATM 2165 O2 EDO A 410 -13.013 -19.682 33.524 1.00 27.31 O HETATM 0 HO2 EDO A 410 -12.725 -19.798 32.744 1.00 27.31 H new HETATM 0 HO1 EDO A 410 -9.180 -20.348 33.781 1.00 34.12 H new HETATM 0 H22 EDO A 410 -12.275 -20.036 35.323 1.00 33.54 H new HETATM 0 H21 EDO A 410 -11.487 -18.943 34.539 1.00 33.54 H new HETATM 0 H12 EDO A 410 -11.436 -21.426 33.296 1.00 32.75 H new HETATM 0 H11 EDO A 410 -10.689 -21.413 34.665 1.00 32.75 H new HETATM 2166 C1 EDO A 411 -15.358 -45.968 22.210 1.00 39.51 C HETATM 2167 O1 EDO A 411 -15.111 -45.756 23.612 1.00 39.72 O HETATM 2168 C2 EDO A 411 -15.482 -44.643 21.455 1.00 38.04 C HETATM 2169 O2 EDO A 411 -16.842 -44.177 21.397 1.00 41.28 O HETATM 0 HO2 EDO A 411 -17.238 -44.379 22.110 1.00 41.28 H new HETATM 0 HO1 EDO A 411 -15.049 -46.498 24.001 1.00 39.72 H new HETATM 0 H22 EDO A 411 -14.930 -43.973 21.888 1.00 38.04 H new HETATM 0 H21 EDO A 411 -15.140 -44.753 20.554 1.00 38.04 H new HETATM 0 H12 EDO A 411 -14.636 -46.492 21.829 1.00 39.51 H new HETATM 0 H11 EDO A 411 -16.172 -46.483 22.098 1.00 39.51 H new HETATM 2170 C1 EDO A 412 -11.726 -8.824 32.884 1.00 31.03 C HETATM 2171 O1 EDO A 412 -10.438 -9.245 33.347 1.00 31.21 O HETATM 2172 C2 EDO A 412 -11.488 -8.024 31.622 1.00 33.02 C HETATM 2173 O2 EDO A 412 -11.160 -8.969 30.593 1.00 32.47 O HETATM 0 HO2 EDO A 412 -11.767 -9.548 30.540 1.00 32.47 H new HETATM 0 HO1 EDO A 412 -10.454 -10.069 33.509 1.00 31.21 H new HETATM 0 H22 EDO A 412 -12.278 -7.514 31.383 1.00 33.02 H new HETATM 0 H21 EDO A 412 -10.767 -7.387 31.748 1.00 33.02 H new HETATM 0 H12 EDO A 412 -12.296 -9.589 32.706 1.00 31.03 H new HETATM 0 H11 EDO A 412 -12.175 -8.286 33.555 1.00 31.03 H new HETATM 2174 C1 EDO A 414 -2.491 -22.897 37.269 1.00 35.99 C HETATM 2175 O1 EDO A 414 -3.536 -23.382 38.133 1.00 38.14 O HETATM 2176 C2 EDO A 414 -3.012 -22.848 35.834 1.00 29.04 C HETATM 2177 O2 EDO A 414 -4.452 -22.958 35.842 1.00 34.23 O HETATM 0 HO2 EDO A 414 -4.789 -22.245 35.554 1.00 34.23 H new HETATM 0 HO1 EDO A 414 -4.218 -23.559 37.676 1.00 38.14 H new HETATM 0 H22 EDO A 414 -2.743 -22.018 35.410 1.00 29.04 H new HETATM 0 H21 EDO A 414 -2.625 -23.570 35.314 1.00 29.04 H new HETATM 0 H12 EDO A 414 -2.206 -22.014 37.552 1.00 35.99 H new HETATM 0 H11 EDO A 414 -1.715 -23.477 37.324 1.00 35.99 H new HETATM 2178 C1 EDO A 415 -14.636 -46.702 12.290 1.00 68.73 C HETATM 2179 O1 EDO A 415 -13.976 -47.936 11.977 1.00 68.76 O HETATM 2180 C2 EDO A 415 -14.298 -45.592 11.297 1.00 68.89 C HETATM 2181 O2 EDO A 415 -13.809 -46.147 10.071 1.00 69.16 O HETATM 0 HO2 EDO A 415 -12.999 -46.350 10.159 1.00 69.16 H new HETATM 0 HO1 EDO A 415 -13.410 -47.805 11.371 1.00 68.76 H new HETATM 0 H22 EDO A 415 -15.087 -45.055 11.123 1.00 68.89 H new HETATM 0 H21 EDO A 415 -13.631 -45.001 11.679 1.00 68.89 H new HETATM 0 H12 EDO A 415 -15.595 -46.844 12.298 1.00 68.73 H new HETATM 0 H11 EDO A 415 -14.384 -46.421 13.183 1.00 68.73 H new HETATM 2182 CHA BLA A 249 1.765 -26.126 20.870 1.00 8.73 C HETATM 2183 NA BLA A 249 0.949 -28.425 21.374 1.00 7.66 N HETATM 2184 C1A BLA A 249 1.798 -27.392 21.561 1.00 7.80 C HETATM 2185 C2A BLA A 249 2.894 -27.739 22.422 1.00 7.71 C HETATM 2186 C3A BLA A 249 2.651 -29.105 22.751 1.00 8.11 C HETATM 2187 C4A BLA A 249 1.449 -29.455 22.096 1.00 8.24 C HETATM 2188 CMA BLA A 249 3.468 -29.957 23.668 1.00 10.06 C HETATM 2189 CAA BLA A 249 3.944 -26.812 22.872 1.00 8.24 C HETATM 2190 CBA BLA A 249 3.461 -25.944 24.104 1.00 9.24 C HETATM 2191 CGA BLA A 249 4.370 -24.762 24.377 1.00 9.83 C HETATM 2192 O1A BLA A 249 4.190 -24.172 25.475 1.00 8.79 O HETATM 2193 O2A BLA A 249 5.200 -24.433 23.502 1.00 10.47 O HETATM 2194 CHB BLA A 249 0.929 -30.783 22.114 1.00 8.99 C HETATM 2195 NB BLA A 249 -1.326 -30.484 21.346 1.00 9.37 N HETATM 2196 C1B BLA A 249 -0.307 -31.246 21.674 1.00 7.16 C HETATM 2197 C2B BLA A 249 -0.726 -32.622 21.639 1.00 8.21 C HETATM 2198 C3B BLA A 249 -2.065 -32.653 21.181 1.00 9.65 C HETATM 2199 C4B BLA A 249 -2.360 -31.236 21.065 1.00 10.60 C HETATM 2200 CMB BLA A 249 0.175 -33.788 21.926 1.00 11.31 C HETATM 2201 OB BLA A 249 -3.548 -30.750 20.645 1.00 12.99 O HETATM 2202 CAB BLA A 249 -3.028 -33.759 20.938 1.00 13.83 C HETATM 2203 CBB BLA A 249 -2.797 -35.005 21.267 1.00 18.95 C HETATM 2204 NC BLA A 249 -2.781 -27.380 18.081 1.00 8.98 N HETATM 2205 C1C BLA A 249 -3.937 -28.008 17.755 1.00 11.31 C HETATM 2206 C2C BLA A 249 -5.048 -27.155 17.396 1.00 10.56 C HETATM 2207 C3C BLA A 249 -4.423 -25.850 17.431 1.00 9.79 C HETATM 2208 C4C BLA A 249 -3.080 -26.069 17.885 1.00 8.30 C HETATM 2209 CMC BLA A 249 -6.413 -27.583 16.979 1.00 12.48 C HETATM 2210 OC BLA A 249 -4.024 -29.324 17.820 1.00 12.74 O HETATM 2211 CAC BLA A 249 -4.994 -24.531 17.199 1.00 10.22 C HETATM 2212 CBC BLA A 249 -6.293 -24.280 17.117 1.00 13.27 C HETATM 2213 CHD BLA A 249 -2.159 -24.995 18.057 1.00 9.05 C HETATM 2214 ND BLA A 249 -0.365 -25.907 19.533 1.00 8.83 N HETATM 2215 C1D BLA A 249 -0.836 -25.032 18.589 1.00 8.54 C HETATM 2216 C2D BLA A 249 0.147 -24.020 18.375 1.00 8.26 C HETATM 2217 C3D BLA A 249 1.260 -24.346 19.204 1.00 7.82 C HETATM 2218 C4D BLA A 249 0.893 -25.554 19.883 1.00 9.06 C HETATM 2219 CMD BLA A 249 0.061 -22.848 17.462 1.00 9.41 C HETATM 2220 CAD BLA A 249 2.593 -23.632 19.255 1.00 8.08 C HETATM 2221 CBD BLA A 249 3.544 -24.315 18.257 1.00 9.43 C HETATM 2222 CGD BLA A 249 4.997 -23.878 18.421 1.00 11.44 C HETATM 2223 O1D BLA A 249 5.322 -23.203 19.418 1.00 12.84 O HETATM 2224 O2D BLA A 249 5.763 -24.311 17.543 1.00 13.47 O HETATM 0 HMD3 BLA A 249 -0.059 -23.156 16.550 1.00 9.41 H new HETATM 0 HMD2 BLA A 249 -0.693 -22.293 17.717 1.00 9.41 H new HETATM 0 HMD1 BLA A 249 0.879 -22.329 17.523 1.00 9.41 H new HETATM 0 HMC3 BLA A 249 -6.351 -28.126 16.178 1.00 12.48 H new HETATM 0 HMC2 BLA A 249 -6.821 -28.102 17.690 1.00 12.48 H new HETATM 0 HMC1 BLA A 249 -6.956 -26.800 16.797 1.00 12.48 H new HETATM 0 HMB3 BLA A 249 0.911 -33.792 21.294 1.00 11.31 H new HETATM 0 HMB2 BLA A 249 0.524 -33.713 22.828 1.00 11.31 H new HETATM 0 HMB1 BLA A 249 -0.327 -34.614 21.842 1.00 11.31 H new HETATM 0 HMA3 BLA A 249 4.376 -30.017 23.332 1.00 10.06 H new HETATM 0 HMA2 BLA A 249 3.477 -29.562 24.554 1.00 10.06 H new HETATM 0 HMA1 BLA A 249 3.082 -30.846 23.714 1.00 10.06 H new HETATM 0 HBD2 BLA A 249 3.486 -25.277 18.370 1.00 9.43 H new HETATM 0 HBD1 BLA A 249 3.252 -24.117 17.353 1.00 9.43 H new HETATM 0 HBC2 BLA A 249 -6.603 -23.374 16.960 1.00 13.27 H new HETATM 0 HBC1 BLA A 249 -6.934 -25.002 17.214 1.00 13.27 H new HETATM 0 HBB2 BLA A 249 -3.463 -35.686 21.084 1.00 18.95 H new HETATM 0 HBB1 BLA A 249 -1.960 -35.247 21.694 1.00 18.95 H new HETATM 0 HBA2 BLA A 249 2.561 -25.623 23.936 1.00 9.24 H new HETATM 0 HBA1 BLA A 249 3.420 -26.505 24.894 1.00 9.24 H new HETATM 0 HAD2 BLA A 249 2.483 -22.695 19.030 1.00 8.08 H new HETATM 0 HAD1 BLA A 249 2.961 -23.667 20.152 1.00 8.08 H new HETATM 0 HAA2 BLA A 249 4.736 -27.314 23.119 1.00 8.24 H new HETATM 0 HAA1 BLA A 249 4.196 -26.226 22.141 1.00 8.24 H new HETATM 0 HHD BLA A 249 -2.474 -24.122 17.775 1.00 9.05 H new HETATM 0 HHB BLA A 249 1.519 -31.457 22.485 1.00 8.99 H new HETATM 0 HHA BLA A 249 2.488 -25.533 21.128 1.00 8.73 H new HETATM 0 HC BLA A 249 -2.040 -27.726 18.347 1.00 8.98 H new HETATM 0 HB BLA A 249 -1.315 -29.624 21.320 1.00 9.37 H new HETATM 0 HAC BLA A 249 -4.382 -23.785 17.098 1.00 10.22 H new HETATM 0 HAB BLA A 249 -3.873 -33.546 20.513 1.00 13.83 H new HETATM 0 HA BLA A 249 0.236 -28.428 20.894 1.00 7.66 H new HETATM 2225 O HOH A1001 -4.351 -49.274 15.706 1.00 7.69 O HETATM 2226 O HOH A1002 -14.931 -36.105 35.756 1.00 26.27 O HETATM 2227 O HOH A1003 -23.048 -13.429 16.350 1.00 3.81 O HETATM 2228 O HOH A1004 -12.139 -10.935 -1.103 1.00 27.89 O HETATM 2229 O HOH A1005 -17.872 -39.426 26.689 1.00 35.80 O HETATM 2230 O HOH A1006 6.597 -31.529 21.716 1.00 9.29 O HETATM 2231 O HOH A1007 -9.949 -48.562 18.787 1.00 13.02 O HETATM 2232 O HOH A1008 7.278 -43.364 26.266 1.00 6.33 O HETATM 2233 O HOH A1009 5.209 -39.381 12.712 1.00 8.64 O HETATM 2234 O HOH A1010 -15.043 -42.966 18.020 1.00 10.26 O HETATM 2235 O HOH A1011 2.115 -19.881 35.567 1.00 31.78 O HETATM 2236 O HOH A1012 -9.141 -32.710 15.797 1.00 20.59 O HETATM 2237 O HOH A1013 -2.503 -47.244 15.002 1.00 13.18 O HETATM 2238 O HOH A1014 -14.884 -26.188 5.162 1.00 10.21 O HETATM 2239 O HOH A1015 -16.146 -36.783 7.885 1.00 24.23 O HETATM 2240 O HOH A1016 -24.687 -26.731 31.402 1.00 31.49 O HETATM 2241 O HOH A1017 6.221 -40.262 26.026 1.00 10.04 O HETATM 2242 O HOH A1018 2.876 -47.384 22.451 1.00 7.01 O HETATM 2243 O HOH A1019 -8.941 -23.031 14.415 1.00 7.21 O HETATM 2244 O HOH A1020 13.590 -46.629 28.992 1.00 36.59 O HETATM 2245 O HOH A1021 -7.446 -21.507 7.744 1.00 10.90 O HETATM 2246 O HOH A1022 -7.556 -47.697 17.714 1.00 17.61 O HETATM 2247 O HOH A1023 -0.386 -13.483 28.378 1.00 7.93 O HETATM 2248 O HOH A1024 -5.185 -21.178 38.134 1.00 31.12 O HETATM 2249 O HOH A1025 4.798 -38.115 25.042 1.00 10.81 O HETATM 2250 O HOH A1026 4.613 -36.897 7.839 1.00 34.21 O HETATM 2251 O HOH A1027 1.333 -44.367 9.560 1.00 14.54 O HETATM 2252 O HOH A1028 -16.364 -24.926 12.812 1.00 12.58 O HETATM 2253 O HOH A1029 -5.670 -42.703 32.629 1.00 28.46 O HETATM 2254 O HOH A1030 -13.719 -48.712 20.321 1.00 13.72 O HETATM 2255 O HOH A1031 -8.978 -11.935 19.449 1.00 17.75 O HETATM 2256 O HOH A1032 -9.893 -31.610 5.672 1.00 22.65 O HETATM 2257 O HOH A1033 -16.384 -23.876 5.786 1.00 9.88 O HETATM 2258 O HOH A1034 6.353 -35.689 25.601 1.00 11.51 O HETATM 2259 O HOH A1035 -10.905 -11.957 8.721 1.00 11.47 O HETATM 2260 O HOH A1037 -11.347 -38.646 11.834 1.00 18.63 O HETATM 2261 O HOH A1038 3.716 -7.348 28.640 1.00 29.84 O HETATM 2262 O HOH A1039 -6.830 -22.899 5.443 1.00 12.39 O HETATM 2263 O HOH A1040 -0.070 -13.744 19.762 1.00 11.89 O HETATM 2264 O HOH A1041 0.651 -14.924 7.742 1.00 39.13 O HETATM 2265 O HOH A1042 -2.130 -31.019 16.904 1.00 12.35 O HETATM 2266 O HOH A1043 -20.218 -20.453 24.610 1.00 14.57 O HETATM 2267 O HOH A1044 -19.745 -22.200 26.761 1.00 13.91 O HETATM 2268 O HOH A1045 -5.410 -46.185 18.591 1.00 12.15 O HETATM 2269 O HOH A1046 -0.617 -25.073 37.841 1.00 35.71 O HETATM 2270 O HOH A1047 0.163 -47.399 31.838 0.50 17.48 O HETATM 2271 O HOH A1048 1.556 -14.588 15.378 1.00 12.35 O HETATM 2272 O HOH A1049 -13.586 -17.970 5.971 1.00 8.75 O HETATM 2273 O HOH A1050 -25.954 -26.263 23.548 1.00 10.96 O HETATM 2274 O HOH A1051 -20.243 -25.194 8.091 1.00 12.22 O HETATM 2275 O HOH A1052 8.872 -30.537 20.467 1.00 14.69 O HETATM 2276 O HOH A1053 4.542 -32.483 12.337 1.00 10.51 O HETATM 2277 O HOH A1054 6.330 -24.226 10.176 1.00 12.58 O HETATM 2278 O HOH A1055 -24.863 -18.862 20.590 1.00 10.25 O HETATM 2279 O HOH A1056 4.558 -41.770 32.754 1.00 13.25 O HETATM 2280 O HOH A1058 9.751 -47.679 29.351 1.00 19.30 O HETATM 2281 O HOH A1059 -2.038 -16.323 11.179 1.00 12.53 O HETATM 2282 O HOH A1060 6.835 -27.501 14.452 1.00 10.95 O HETATM 2283 O HOH A1061 -17.389 -39.535 21.482 1.00 14.91 O HETATM 2284 O HOH A1062 -13.755 -17.250 32.447 1.00 15.82 O HETATM 2285 O HOH A1063 1.075 -31.578 5.616 1.00 19.76 O HETATM 2286 O HOH A1064 -13.821 -42.094 11.096 1.00 22.67 O HETATM 2287 O HOH A1065 -12.296 -35.866 25.453 1.00 8.50 O HETATM 2288 O HOH A1066 -15.742 -19.485 6.649 1.00 10.39 O HETATM 2289 O HOH A1067 4.919 -26.042 15.677 1.00 7.81 O HETATM 2290 O HOH A1068 -15.868 -18.097 31.010 1.00 20.91 O HETATM 2291 O HOH A1069 -9.768 -52.953 19.931 1.00 10.69 O HETATM 2292 O HOH A1070 -27.578 -16.583 3.608 1.00 27.67 O HETATM 2293 O HOH A1071 -19.809 -41.617 12.491 1.00 22.79 O HETATM 2294 O HOH A1072 -25.232 -27.659 14.915 1.00 14.04 O HETATM 2295 O HOH A1073 -12.907 -15.812 -0.880 1.00 14.85 O HETATM 2296 O HOH A1074 -10.554 -12.070 33.879 1.00 16.33 O HETATM 2297 O HOH A1075 8.621 -39.568 27.262 1.00 13.97 O HETATM 2298 O HOH A1076 -7.734 -45.199 15.739 1.00 22.14 O HETATM 2299 O HOH A1077 -7.968 -50.026 10.865 1.00 16.87 O HETATM 2300 O HOH A1078 -1.290 -29.099 15.032 1.00 16.80 O HETATM 2301 O HOH A1079 -4.074 -20.067 4.273 1.00 16.36 O HETATM 2302 O HOH A1080 -2.905 -14.839 13.340 1.00 12.56 O HETATM 2303 O HOH A1081 -10.247 -21.682 0.327 1.00 15.33 O HETATM 2304 O HOH A1082 -17.167 -40.999 19.028 1.00 18.29 O HETATM 2305 O HOH A1083 10.193 -37.931 18.331 1.00 19.43 O HETATM 2306 O HOH A1084 -20.857 -30.360 3.508 1.00 22.10 O HETATM 2307 O HOH A1085 -18.847 -16.427 -3.932 1.00 39.92 O HETATM 2308 O HOH A1086 -26.064 -20.232 0.496 1.00 38.49 O HETATM 2309 O HOH A1087 -12.465 -12.063 27.687 1.00 15.43 O HETATM 2310 O HOH A1088 11.156 -40.492 19.134 1.00 20.60 O HETATM 2311 O HOH A1089 -2.715 -15.485 39.521 1.00 18.80 O HETATM 2312 O HOH A1090 -6.601 -19.380 -0.717 1.00 17.74 O HETATM 2313 O HOH A1091 1.319 -31.459 33.993 1.00 29.85 O HETATM 2314 O HOH A1092 -0.634 -39.735 31.816 1.00 17.36 O HETATM 2315 O HOH A1093 -19.894 -1.413 20.298 1.00 30.76 O HETATM 2316 O HOH A1094 -17.567 -45.586 10.984 1.00 45.59 O HETATM 2317 O HOH A1095 -3.482 -36.217 5.135 1.00 25.41 O HETATM 2318 O HOH A1096 3.262 -27.725 2.059 1.00 37.03 O HETATM 2319 O HOH A1097 1.238 -24.043 39.191 1.00 38.80 O HETATM 2320 O HOH A1098 -0.370 -40.924 6.345 1.00 21.93 O HETATM 2321 O HOH A1099 -20.046 -35.894 9.534 1.00 21.23 O HETATM 2322 O HOH A1100 -9.954 -40.696 8.681 1.00 29.64 O HETATM 2323 O HOH A1101 -22.592 -33.728 9.556 1.00 17.71 O HETATM 2324 O HOH A1102 -9.459 -39.834 37.960 1.00 32.51 O HETATM 2325 O HOH A1103 -13.146 -50.794 18.058 1.00 22.65 O HETATM 2326 O HOH A1104 -0.197 -40.160 35.617 1.00 41.52 O HETATM 2327 O HOH A1105 1.029 -19.689 33.037 1.00 14.49 O HETATM 2328 O HOH A1106 -19.384 -12.548 4.068 1.00 27.07 O HETATM 2329 O HOH A1107 -6.358 -19.140 5.763 1.00 22.28 O HETATM 2330 O HOH A1108 2.428 -17.531 11.020 1.00 24.12 O HETATM 2331 O HOH A1109 -24.869 -6.303 11.095 1.00 20.42 O HETATM 2332 O HOH A1110 -26.359 -34.471 30.218 1.00 46.05 O HETATM 2333 O HOH A1111 5.182 -20.674 27.815 1.00 13.87 O HETATM 2334 O HOH A1112 -24.753 -23.221 22.572 1.00 23.14 O HETATM 2335 O HOH A1113 -8.632 -28.957 -2.322 1.00 28.28 O HETATM 2336 O HOH A1115 -26.472 -23.503 17.226 1.00 15.96 O HETATM 2337 O HOH A1116 -24.505 -25.061 16.072 1.00 16.32 O HETATM 2338 O HOH A1117 -21.453 -13.386 7.130 1.00 18.66 O HETATM 2339 O HOH A1118 -16.643 -41.901 28.501 1.00 53.52 O HETATM 2340 O HOH A1119 -0.995 -18.202 2.267 1.00 61.30 O HETATM 2341 O HOH A1120 -25.133 -31.296 6.527 1.00 17.80 O HETATM 2342 O HOH A1121 -21.860 -23.182 -8.208 1.00 14.14 O HETATM 2343 O HOH A1122 -3.379 -8.832 31.669 1.00 13.93 O HETATM 2344 O HOH A1123 -0.547 -21.389 1.045 1.00 46.07 O HETATM 2345 O HOH A1124 9.817 -45.550 31.040 1.00 22.03 O HETATM 2346 O HOH A1125 -19.027 -7.391 23.715 1.00 39.26 O HETATM 2347 O HOH A1126 -18.936 -43.078 29.540 1.00 42.87 O HETATM 2348 O HOH A1127 -11.718 -8.780 18.952 1.00 29.58 O HETATM 2349 O HOH A1128 -12.934 -39.773 10.210 1.00 30.22 O HETATM 2350 O HOH A1129 8.533 -27.526 23.528 1.00 10.55 O HETATM 2351 O HOH A1130 -27.862 -34.384 13.752 1.00 25.92 O HETATM 2352 O HOH A1131 -9.801 -22.226 -2.346 1.00 26.13 O HETATM 2353 O HOH A1132 -12.970 -12.701 32.409 1.00 28.35 O HETATM 2354 O HOH A1133 0.225 -30.638 36.032 1.00 33.96 O HETATM 2355 O HOH A1134 -11.676 -47.453 10.858 1.00 30.02 O HETATM 2356 O HOH A1135 -5.829 -37.271 5.859 1.00 27.86 O HETATM 2357 O HOH A1136 -2.292 -31.382 36.291 1.00 25.07 O HETATM 2358 O HOH A1138 -1.148 -20.893 34.400 1.00 18.04 O HETATM 2359 O HOH A1139 -6.866 -13.344 40.626 1.00 28.65 O HETATM 2360 O HOH A1140 -1.043 -27.048 35.865 1.00 17.51 O HETATM 2361 O HOH A1141 -25.700 -34.775 11.816 1.00 19.75 O HETATM 2362 O HOH A1144 -14.121 -50.262 15.349 1.00 32.04 O HETATM 2363 O HOH A1145 -21.965 -30.804 29.930 1.00 57.12 O HETATM 2364 O HOH A1146 8.232 -23.309 17.207 1.00 16.65 O HETATM 2365 O HOH A1148 -5.237 -11.714 17.653 1.00 13.15 O HETATM 2366 O HOH A1149 -15.488 -12.087 4.195 1.00 18.03 O HETATM 2367 O HOH A1150 5.343 -35.089 31.167 1.00 15.24 O HETATM 2368 O HOH A1151 -27.942 -25.232 21.722 1.00 11.82 O HETATM 2369 O HOH A1152 0.481 -36.147 9.378 1.00 18.12 O HETATM 2370 O HOH A1153 -5.023 -44.274 16.407 1.00 35.78 O HETATM 2371 O HOH A1155 -8.647 -19.644 4.144 1.00 22.48 O HETATM 2372 O HOH A1156 -21.139 -19.286 -6.588 1.00 27.01 O HETATM 2373 O HOH A1158 4.426 -23.438 32.383 1.00 22.16 O HETATM 2374 O HOH A1159 -13.324 -11.230 30.157 1.00 29.11 O HETATM 2375 O HOH A1160 -5.914 -15.195 -0.393 1.00 20.77 O HETATM 2376 O HOH A1161 -21.497 -20.588 -8.862 1.00 25.79 O HETATM 2377 O HOH A1162 -2.793 -40.332 33.203 1.00 27.21 O HETATM 2378 O HOH A1163 -19.943 -9.702 19.563 1.00 23.06 O HETATM 2379 O HOH A1164 -24.662 -24.091 -7.277 1.00 25.33 O HETATM 2380 O HOH A1165 -5.435 -17.106 7.407 1.00 20.16 O HETATM 2381 O HOH A1166 -22.029 -27.106 -10.372 1.00 23.15 O HETATM 2382 O HOH A1169 8.156 -36.998 27.883 1.00 27.25 O HETATM 2383 O HOH A1170 -14.553 -11.457 26.462 1.00 34.25 O HETATM 2384 O HOH A1171 7.873 -24.723 22.997 1.00 13.71 O HETATM 2385 O HOH A1172 -25.913 -33.668 25.396 1.00 21.79 O HETATM 2386 O HOH A1174 -8.902 -43.254 7.991 1.00 33.94 O HETATM 2387 O HOH A1175 -17.459 -41.878 10.861 1.00 34.89 O HETATM 2388 O HOH A1176 -20.145 -13.594 22.062 1.00 26.17 O HETATM 2389 O HOH A1179 -6.538 -10.694 19.826 1.00 24.32 O HETATM 2390 O HOH A1180 -3.258 -47.557 19.775 1.00 7.86 O HETATM 2391 O HOH A1182 -19.040 -18.776 0.334 1.00 23.53 O HETATM 2392 O HOH A1183 -21.164 -24.685 -10.418 1.00 14.77 O HETATM 2393 O HOH A1184 -18.913 -23.359 -11.286 1.00 12.66 O HETATM 2394 O HOH A1185 -11.120 -48.837 21.110 1.00 9.45 O HETATM 2395 O HOH A1186 -1.083 -42.991 8.238 1.00 16.66 O HETATM 2396 O HOH A1187 -23.411 -36.368 28.434 1.00 31.64 O HETATM 2397 O HOH A1188 -13.661 -52.379 21.882 1.00 23.74 O HETATM 2398 O HOH A1189 -10.274 -51.157 17.958 1.00 12.95 O HETATM 2399 O HOH A1190 -13.972 -10.929 2.411 1.00 27.47 O HETATM 2400 O HOH A1191 3.908 -43.853 8.543 1.00 26.44 O HETATM 2401 O HOH A1193 -27.674 -30.079 5.895 1.00 30.02 O HETATM 2402 O HOH A1194 -16.777 -20.362 -10.997 1.00 31.32 O HETATM 2403 O HOH A1195 -4.004 -18.939 -0.532 1.00 21.86 O HETATM 2404 O HOH A1196 1.724 -7.861 25.620 1.00 21.40 O HETATM 2405 O HOH A1197 -8.425 -6.958 28.064 1.00 25.32 O HETATM 2406 O HOH A1199 3.859 -18.796 6.869 1.00 20.92 O HETATM 2407 O HOH A1200 -4.282 -20.486 1.770 1.00 37.82 O HETATM 2408 O HOH A1201 -23.224 -23.270 -11.938 1.00 25.36 O HETATM 2409 O HOH A1202 9.106 -38.088 12.468 1.00 23.24 O HETATM 2410 O HOH A1203 0.204 -27.591 3.275 1.00 27.45 O HETATM 2411 O HOH A1205 6.197 -39.877 9.949 1.00 31.36 O HETATM 2412 O HOH A1207 -22.844 -9.882 12.854 1.00 20.85 O HETATM 2413 O HOH A1208 -7.055 -21.288 2.856 1.00 32.92 O HETATM 2414 O HOH A1209 -27.641 -14.159 19.358 1.00 16.03 O HETATM 2415 O HOH A1210 3.005 -24.017 3.146 1.00 35.97 O HETATM 2416 O HOH A1211 -10.702 -46.613 22.636 1.00 8.13 O HETATM 2417 O HOH A1212 -20.876 -11.559 21.166 1.00 25.19 O HETATM 2418 O HOH A1213 6.986 -29.608 23.720 1.00 13.12 O HETATM 2419 O HOH A1214 -19.536 -18.439 4.779 1.00 24.99 O HETATM 2420 O HOH A1215 4.048 -23.286 6.004 1.00 30.97 O HETATM 2421 O HOH A1216 -4.567 -11.175 21.945 1.00 24.47 O HETATM 2422 O HOH A1218 -24.915 -13.775 9.250 1.00 25.16 O HETATM 2423 O HOH A1219 -1.564 -18.266 36.249 1.00 34.36 O HETATM 2424 O HOH A1220 -11.226 -12.746 36.229 1.00 33.50 O HETATM 2425 O HOH A1221 -16.186 -19.873 -4.963 1.00 28.41 O HETATM 2426 O HOH A1223 -18.986 -28.789 -4.193 1.00 28.72 O HETATM 2427 O HOH A1224 -17.966 -11.364 27.285 1.00 26.58 O HETATM 2428 O HOH A1225 -18.220 -17.428 2.624 1.00 28.64 O HETATM 2429 O HOH A1226 -8.853 -47.271 10.234 1.00 31.70 O HETATM 2430 O HOH A1227 8.049 -33.527 11.040 1.00 35.91 O HETATM 2431 O HOH A1229 6.529 -35.522 33.574 1.00 35.32 O HETATM 2432 O HOH A1230 -11.118 -51.533 21.795 1.00 12.45 O HETATM 2433 O HOH A1231 -28.868 -24.921 16.124 1.00 14.83 O HETATM 2434 O HOH A1232 -2.649 -13.552 21.315 1.00 14.20 O HETATM 2435 O HOH A1233 -24.066 -6.797 17.449 1.00 32.70 O HETATM 2436 O HOH A1234 5.194 -26.503 34.380 1.00 22.72 O HETATM 2437 O HOH A1235 -11.565 -14.543 -3.249 1.00 24.84 O HETATM 2438 O HOH A1236 -13.626 -44.756 27.408 1.00 26.54 O HETATM 2439 O HOH A1237 -13.853 -41.028 29.577 1.00 23.31 O HETATM 2440 O HOH A1239 -20.445 -28.743 -12.012 1.00 21.22 O HETATM 2441 O HOH A1240 5.786 -12.369 25.161 1.00 19.52 O HETATM 2442 O HOH A1241 -10.046 -52.487 24.139 1.00 10.90 O HETATM 2443 O HOH A1242 -11.051 -29.568 40.317 1.00 24.34 O HETATM 2444 O HOH A1243 -11.018 -31.960 40.146 1.00 25.42 O HETATM 2445 O HOH A1244 -7.187 -21.041 -2.832 1.00 30.11 O HETATM 2446 O HOH A1245 -6.452 -14.553 7.620 1.00 26.57 O HETATM 2447 O HOH A1246 6.994 -15.555 20.223 1.00 6.98 O HETATM 2448 O HOH A1247 3.673 -9.963 24.924 1.00 15.20 O HETATM 2449 O HOH A1248 -7.897 -12.908 9.419 1.00 17.72 O HETATM 2450 O HOH A1249 -21.115 -16.861 3.892 1.00 30.62 O HETATM 2451 O HOH A1250 -16.281 -23.167 -10.438 1.00 8.36 O HETATM 2452 O HOH A1251 6.940 -29.287 10.066 1.00 23.73 O HETATM 2453 O HOH A1252 -27.720 -23.814 9.130 1.00 18.29 O HETATM 2454 O HOH A1253 6.706 -35.139 28.867 1.00 25.37 O HETATM 2455 O HOH A1254 -7.000 -30.864 38.873 1.00 27.43 O HETATM 2456 O HOH A1255 9.855 -36.805 32.805 1.00 38.23 O HETATM 2457 O HOH A1256 -18.269 -33.530 4.745 1.00 36.32 O HETATM 2458 O HOH A1257 -25.697 -11.604 16.828 1.00 20.26 O HETATM 2459 O HOH A1258 -10.926 -8.510 27.358 1.00 44.76 O HETATM 2460 O HOH A1259 -19.790 -21.512 -13.286 1.00 19.39 O HETATM 2461 O HOH A1260 -30.015 -26.200 5.513 1.00 28.34 O HETATM 2462 O HOH A1261 -24.644 -16.285 5.498 1.00 31.32 O HETATM 2463 O HOH A1262 -14.627 -40.843 20.533 1.00 18.53 O HETATM 2464 O HOH A1263 -14.885 -13.713 -0.379 1.00 29.70 O HETATM 2465 O HOH A1264 -14.866 -19.554 36.127 1.00 45.04 O HETATM 2466 O HOH A1265 -18.110 -14.031 2.830 1.00 31.70 O HETATM 2467 O HOH A1266 -22.895 -18.876 4.466 1.00 20.32 O HETATM 2468 O HOH A1267 -3.019 -26.740 0.684 1.00 26.08 O HETATM 2469 O HOH A1268 -6.915 -26.931 -0.583 1.00 25.10 O HETATM 2470 O HOH A1269 -10.938 -9.467 9.747 1.00 31.05 O HETATM 2471 O HOH A1270 -1.997 -7.458 24.429 1.00 33.54 O HETATM 2472 O HOH A1271 0.164 -34.845 33.678 1.00 18.04 O HETATM 2473 O HOH A1272 5.832 -37.845 34.910 1.00 30.56 O HETATM 2474 O HOH A1273 -1.825 -14.876 8.507 1.00 34.87 O HETATM 2475 O HOH A1274 -22.711 -9.191 8.224 1.00 32.16 O HETATM 2476 O HOH A1275 -3.152 -25.674 39.573 1.00 34.63 O HETATM 2477 O HOH A1276 5.845 -15.410 34.855 1.00 32.07 O HETATM 2478 O HOH A1277 -20.753 -14.113 26.527 1.00 35.23 O HETATM 2479 O HOH A1279 -22.183 -19.137 26.461 1.00 30.72 O HETATM 2480 O HOH A1280 6.990 -17.459 13.310 1.00 36.89 O HETATM 2481 O HOH A1281 9.389 -30.416 10.556 1.00 36.57 O HETATM 2482 O HOH A1282 -26.098 -37.850 20.667 1.00 48.36 O HETATM 2483 O HOH A1283 -21.565 -18.095 29.333 1.00 45.89 O HETATM 2484 O HOH A1284 0.571 -37.008 5.836 1.00 31.02 O HETATM 2485 O HOH A1285 7.974 -19.621 14.987 1.00 22.39 O HETATM 2486 O HOH A1286 1.497 -29.974 3.198 1.00 34.12 O HETATM 2487 O HOH A1287 -10.767 -2.599 22.471 1.00 31.82 O HETATM 2488 O HOH A1289 9.673 -29.805 18.013 1.00 27.32 O HETATM 2489 O HOH A1290 3.529 -43.542 35.133 1.00 38.54 O HETATM 2490 O HOH A1292 -22.940 -22.533 26.755 1.00 36.46 O HETATM 2491 O HOH A1293 -8.277 -10.968 1.459 1.00 23.78 O HETATM 2492 O HOH A1298 -18.540 -43.557 18.669 1.00 23.24 O HETATM 2493 O HOH A1300 10.853 -29.298 14.591 1.00 31.44 O HETATM 2494 O HOH A1318 3.611 -10.794 32.703 1.00 28.72 O HETATM 2495 O HOH A1320 -22.606 -28.268 -2.588 1.00 33.12 O HETATM 2496 O HOH A1322 3.522 -11.942 19.294 1.00 29.90 O HETATM 2497 O HOH A1327 0.878 -23.875 1.601 1.00 41.85 O HETATM 2498 O HOH A1328 -14.049 -16.338 -3.945 1.00 36.16 O HETATM 2499 O HOH A1332 3.319 -15.844 12.566 1.00 29.21 O HETATM 2500 O HOH A1337 0.789 -11.025 37.082 1.00 34.49 O HETATM 2501 O HOH A1341 9.051 -27.629 16.677 1.00 35.73 O HETATM 2502 O HOH A1343 -1.149 -17.770 38.780 1.00 32.34 O HETATM 2503 O HOH A1348 -4.053 -39.289 4.242 1.00 42.72 O HETATM 2504 O HOH A1356 -20.553 -15.444 28.728 1.00 32.59 O HETATM 2505 O HOH A1364 -4.326 -14.229 9.354 1.00 32.45 O HETATM 2506 O HOH A1374 -15.728 -41.316 22.854 1.00 38.84 O HETATM 2507 O HOH A1381 0.974 -11.326 18.815 1.00 38.67 O HETATM 2508 O HOH A1387 -16.793 -50.022 18.769 1.00 39.66 O HETATM 2509 O HOH A1390 -3.313 -9.087 34.556 1.00 32.32 O HETATM 2510 O HOH A1400 -0.317 -28.723 19.043 1.00 12.18 O HETATM 2511 O HOH A1401 -0.731 -33.684 4.772 1.00 31.89 O CONECT 2126 2127 2128 CONECT 2127 2126 CONECT 2128 2126 2129 CONECT 2129 2128 CONECT 2130 2131 2132 CONECT 2131 2130 CONECT 2132 2130 2133 CONECT 2133 2132 CONECT 2134 2135 2136 CONECT 2135 2134 CONECT 2136 2134 2137 CONECT 2137 2136 CONECT 2138 2139 2140 CONECT 2139 2138 CONECT 2140 2138 2141 CONECT 2141 2140 CONECT 2142 2143 2144 CONECT 2143 2142 CONECT 2144 2142 2145 CONECT 2145 2144 CONECT 2146 2147 2148 CONECT 2147 2146 CONECT 2148 2146 2149 CONECT 2149 2148 CONECT 2150 2151 2152 CONECT 2151 2150 CONECT 2152 2150 2153 CONECT 2153 2152 CONECT 2154 2155 2156 CONECT 2155 2154 CONECT 2156 2154 2157 CONECT 2157 2156 CONECT 2158 2159 2160 CONECT 2159 2158 CONECT 2160 2158 2161 CONECT 2161 2160 CONECT 2162 2163 2164 CONECT 2163 2162 CONECT 2164 2162 2165 CONECT 2165 2164 CONECT 2166 2167 2168 CONECT 2167 2166 CONECT 2168 2166 2169 CONECT 2169 2168 CONECT 2170 2171 2172 CONECT 2171 2170 CONECT 2172 2170 2173 CONECT 2173 2172 CONECT 2174 2175 2176 CONECT 2175 2174 CONECT 2176 2174 2177 CONECT 2177 2176 CONECT 2178 2179 2180 CONECT 2179 2178 CONECT 2180 2178 2181 CONECT 2181 2180 CONECT 2182 2184 2218 CONECT 2183 2184 2187 CONECT 2184 2182 2183 2185 CONECT 2185 2184 2186 2189 CONECT 2186 2185 2187 2188 CONECT 2187 2183 2186 2194 CONECT 2188 2186 CONECT 2189 2185 2190 CONECT 2190 2189 2191 CONECT 2191 2190 2192 2193 CONECT 2192 2191 CONECT 2193 2191 CONECT 2194 2187 2196 CONECT 2195 2196 2199 CONECT 2196 2194 2195 2197 CONECT 2197 2196 2198 2200 CONECT 2198 2197 2199 2202 CONECT 2199 2195 2198 2201 CONECT 2200 2197 CONECT 2201 2199 CONECT 2202 2198 2203 CONECT 2203 2202 CONECT 2204 2205 2208 CONECT 2205 2204 2206 2210 CONECT 2206 2205 2207 2209 CONECT 2207 2206 2208 2211 CONECT 2208 2204 2207 2213 CONECT 2209 2206 CONECT 2210 2205 CONECT 2211 2207 2212 CONECT 2212 2211 CONECT 2213 2208 2215 CONECT 2214 2215 2218 CONECT 2215 2213 2214 2216 CONECT 2216 2215 2217 2219 CONECT 2217 2216 2218 2220 CONECT 2218 2182 2214 2217 CONECT 2219 2216 CONECT 2220 2217 2221 CONECT 2221 2220 2222 CONECT 2222 2221 2223 2224 CONECT 2223 2222 CONECT 2224 2222 END