USER MOD reduce.3.24.130724 H: found=0, std=0, add=1962, rem=0, adj=61 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE 25-JAN-08 3C2T TITLE EVOLUTION OF CHLORELLA VIRUS DUTPASE COMPND MOL_ID: 1; COMPND 2 MOLECULE: DEOXYURIDINE TRIPHOSPHATASE; COMPND 3 CHAIN: A, B; COMPND 4 EC: 3.6.1.23; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PARAMECIUM BURSARIA CHLORELLA VIRUS SOURCE 3 IL3A; SOURCE 4 ORGANISM_TAXID: 46019; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21-DE3-PLYS; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET-23A KEYWDS DUTPASE CHLORELLA VIRUS, HYDROLASE EXPDTA X-RAY DIFFRACTION AUTHOR M.YAMANISHI,K.HOMMA,Y.ZHANG,L.V.J.ETTEN,H.MORIYAMA REVDAT 2 17-NOV-09 3C2T 1 JRNL REVDAT 1 24-FEB-09 3C2T 0 JRNL AUTH K.HOMMA,H.MORIYAMA JRNL TITL CRYSTALLIZATION AND CRYSTAL-PACKING STUDIES OF JRNL TITL 2 CHLORELLA VIRUS DEOXYURIDINE TRIPHOSPHATASE. JRNL REF ACTA CRYSTALLOGR.,SECT.F V. 65 1030 2009 JRNL REFN ESSN 1744-3091 JRNL PMID 19851015 JRNL DOI 10.1107/S1744309109034459 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 3.00 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.2 REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 3.00 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 33.42 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 3001922.410 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 97.8 REMARK 3 NUMBER OF REFLECTIONS : 7922 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 SET) : 0.245 REMARK 3 FREE R VALUE : 0.285 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.600 REMARK 3 FREE R VALUE TEST SET COUNT : 839 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.010 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 6 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 3.00 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 3.19 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 92.00 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 1093 REMARK 3 BIN R VALUE (WORKING SET) : 0.4280 REMARK 3 BIN FREE R VALUE : 0.4760 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 9.70 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 118 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.044 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1862 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 50 REMARK 3 SOLVENT ATOMS : 14 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 30.30 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.00000 REMARK 3 B22 (A**2) : 0.00000 REMARK 3 B33 (A**2) : 0.00000 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 COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.41 REMARK 3 ESD FROM SIGMAA (A) : 0.51 REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.53 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.73 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.008 REMARK 3 BOND ANGLES (DEGREES) : 1.40 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 26.00 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.85 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 1.140 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 2.050 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 1.630 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 2.630 ; 2.500 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.30 REMARK 3 BSOL : 35.73 REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : NULL REMARK 3 TOPOLOGY FILE 1 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: BULK SOLVENT MODEL USED REMARK 4 REMARK 4 3C2T COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 01-FEB-08. REMARK 100 THE RCSB ID CODE IS RCSB046269. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 14-OCT-04 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 8.0 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU MICROMAX-007 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IV++ REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 7922 REMARK 200 RESOLUTION RANGE HIGH (A) : 3.000 REMARK 200 RESOLUTION RANGE LOW (A) : 33.420 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 97.8 REMARK 200 DATA REDUNDANCY : 9.900 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 13.2000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 3.00 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 3.19 REMARK 200 COMPLETENESS FOR SHELL (%) : 92.0 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: MOLREP REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 62.95 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.32 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 20% PEG1450, 5MM MAGNESIUM REMARK 280 CHLORIDE, 50MM SODIUM PHOSPHATE, 50MM SODIUM CHLORIDE, 1% REMARK 280 GLYCEROL, 2MM DUDP, PH 8.0, VAPOR DIFFUSION, HANGING DROP, REMARK 280 TEMPERATURE 298K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 3 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 5555 Z,X,Y REMARK 290 6555 Z+1/2,-X+1/2,-Y REMARK 290 7555 -Z+1/2,-X,Y+1/2 REMARK 290 8555 -Z,X+1/2,-Y+1/2 REMARK 290 9555 Y,Z,X REMARK 290 10555 -Y,Z+1/2,-X+1/2 REMARK 290 11555 Y+1/2,-Z+1/2,-X REMARK 290 12555 -Y+1/2,-Z,X+1/2 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 52.83900 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 52.83900 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 52.83900 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 52.83900 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 52.83900 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 52.83900 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY2 5 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY1 6 0.000000 0.000000 1.000000 52.83900 REMARK 290 SMTRY2 6 -1.000000 0.000000 0.000000 52.83900 REMARK 290 SMTRY3 6 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY1 7 0.000000 0.000000 -1.000000 52.83900 REMARK 290 SMTRY2 7 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 1.000000 0.000000 52.83900 REMARK 290 SMTRY1 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY2 8 1.000000 0.000000 0.000000 52.83900 REMARK 290 SMTRY3 8 0.000000 -1.000000 0.000000 52.83900 REMARK 290 SMTRY1 9 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 9 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY3 9 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 10 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 10 0.000000 0.000000 1.000000 52.83900 REMARK 290 SMTRY3 10 -1.000000 0.000000 0.000000 52.83900 REMARK 290 SMTRY1 11 0.000000 1.000000 0.000000 52.83900 REMARK 290 SMTRY2 11 0.000000 0.000000 -1.000000 52.83900 REMARK 290 SMTRY3 11 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 12 0.000000 -1.000000 0.000000 52.83900 REMARK 290 SMTRY2 12 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY3 12 1.000000 0.000000 0.000000 52.83900 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 9530 ANGSTROM**2 REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 2 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT2 2 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT3 2 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT1 3 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT2 3 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT3 3 1.000000 0.000000 0.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 9360 ANGSTROM**2 REMARK 350 APPLY THE FOLLOWING TO CHAINS: B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 2 0.000000 0.000000 -1.000000 52.83900 REMARK 350 BIOMT2 2 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT3 2 0.000000 1.000000 0.000000 52.83900 REMARK 350 BIOMT1 3 0.000000 -1.000000 0.000000 0.00000 REMARK 350 BIOMT2 3 0.000000 0.000000 1.000000 -52.83900 REMARK 350 BIOMT3 3 -1.000000 0.000000 0.000000 52.83900 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 MG MG A 998 LIES ON A SPECIAL POSITION. REMARK 375 MG MG B 999 LIES ON A SPECIAL POSITION. 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 LEU A 126 REMARK 465 SER A 127 REMARK 465 ASP A 128 REMARK 465 THR A 129 REMARK 465 ALA A 130 REMARK 465 ARG A 131 REMARK 465 GLY A 132 REMARK 465 SER A 133 REMARK 465 GLY A 134 REMARK 465 GLY A 135 REMARK 465 PHE A 136 REMARK 465 GLY A 137 REMARK 465 SER A 138 REMARK 465 THR A 139 REMARK 465 GLY A 140 REMARK 465 ILE A 141 REMARK 465 ASP B 125 REMARK 465 LEU B 126 REMARK 465 SER B 127 REMARK 465 ASP B 128 REMARK 465 THR B 129 REMARK 465 ALA B 130 REMARK 465 ARG B 131 REMARK 465 GLY B 132 REMARK 465 SER B 133 REMARK 465 GLY B 134 REMARK 465 GLY B 135 REMARK 465 PHE B 136 REMARK 465 GLY B 137 REMARK 465 SER B 138 REMARK 465 THR B 139 REMARK 465 GLY B 140 REMARK 465 ILE B 141 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 PRO A 37 C - N - CA ANGL. DEV. = 12.0 DEGREES REMARK 500 PRO B 37 C - N - CA ANGL. DEV. = 9.6 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 SER A 2 74.16 -100.50 REMARK 500 SER A 3 -159.45 -123.38 REMARK 500 MET A 39 20.46 47.88 REMARK 500 PRO A 53 171.23 -59.89 REMARK 500 THR A 56 125.70 -173.16 REMARK 500 ALA A 76 -112.89 54.10 REMARK 500 LYS A 103 129.22 -36.58 REMARK 500 ALA A 108 -163.00 -169.73 REMARK 500 THR A 117 72.85 -118.37 REMARK 500 LEU A 124 25.57 82.97 REMARK 500 SER B 2 -78.44 -35.96 REMARK 500 SER B 3 171.14 48.93 REMARK 500 ALA B 13 126.51 -20.37 REMARK 500 PRO B 16 101.55 -36.55 REMARK 500 ALA B 23 160.82 -42.28 REMARK 500 GLU B 32 -165.94 -123.01 REMARK 500 ALA B 76 -127.14 54.35 REMARK 500 ASP B 82 44.72 -86.27 REMARK 500 THR B 117 69.47 -114.66 REMARK 500 PRO B 118 -159.88 -64.73 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A1006 DISTANCE = 6.33 ANGSTROMS REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG A 998 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG B 999 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DUD A 777 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DUD B 778 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 3C3I RELATED DB: PDB DBREF 3C2T A 1 141 UNP Q5I3E5 Q5I3E5_PBCVI 1 141 DBREF 3C2T B 1 141 UNP Q5I3E5 Q5I3E5_PBCVI 1 141 SEQRES 1 A 141 MET SER SER LEU LEU VAL LYS LYS LEU VAL GLU SER ALA SEQRES 2 A 141 THR THR PRO MET ARG GLY SER GLU GLY ALA ALA GLY TYR SEQRES 3 A 141 ASP ILE SER SER VAL GLU ASP VAL VAL VAL PRO ALA MET SEQRES 4 A 141 GLY ARG ILE ALA VAL SER THR GLY ILE SER ILE ARG VAL SEQRES 5 A 141 PRO ASP GLY THR TYR GLY ARG ILE ALA PRO ARG SER GLY SEQRES 6 A 141 LEU ALA TYR LYS TYR GLY ILE ASP VAL LEU ALA GLY VAL SEQRES 7 A 141 ILE ASP GLU ASP TYR THR GLY GLU VAL LYS VAL ILE LEU SEQRES 8 A 141 TYR ASN THR THR GLU ARG ASP TYR ILE ILE LYS LYS GLY SEQRES 9 A 141 ASP ARG ILE ALA GLN LEU ILE LEU GLU GLN ILE VAL THR SEQRES 10 A 141 PRO GLY VAL ALA VAL VAL LEU ASP LEU SER ASP THR ALA SEQRES 11 A 141 ARG GLY SER GLY GLY PHE GLY SER THR GLY ILE SEQRES 1 B 141 MET SER SER LEU LEU VAL LYS LYS LEU VAL GLU SER ALA SEQRES 2 B 141 THR THR PRO MET ARG GLY SER GLU GLY ALA ALA GLY TYR SEQRES 3 B 141 ASP ILE SER SER VAL GLU ASP VAL VAL VAL PRO ALA MET SEQRES 4 B 141 GLY ARG ILE ALA VAL SER THR GLY ILE SER ILE ARG VAL SEQRES 5 B 141 PRO ASP GLY THR TYR GLY ARG ILE ALA PRO ARG SER GLY SEQRES 6 B 141 LEU ALA TYR LYS TYR GLY ILE ASP VAL LEU ALA GLY VAL SEQRES 7 B 141 ILE ASP GLU ASP TYR THR GLY GLU VAL LYS VAL ILE LEU SEQRES 8 B 141 TYR ASN THR THR GLU ARG ASP TYR ILE ILE LYS LYS GLY SEQRES 9 B 141 ASP ARG ILE ALA GLN LEU ILE LEU GLU GLN ILE VAL THR SEQRES 10 B 141 PRO GLY VAL ALA VAL VAL LEU ASP LEU SER ASP THR ALA SEQRES 11 B 141 ARG GLY SER GLY GLY PHE GLY SER THR GLY ILE HET MG A 998 1 HET MG B 999 1 HET DUD A 777 24 HET DUD B 778 24 HETNAM MG MAGNESIUM ION HETNAM DUD DEOXYURIDINE-5'-DIPHOSPHATE FORMUL 3 MG 2(MG 2+) FORMUL 5 DUD 2(C9 H14 N2 O11 P2) FORMUL 7 HOH *14(H2 O) HELIX 1 1 ARG A 63 GLY A 71 1 9 HELIX 2 2 ARG B 63 GLY B 71 1 9 SHEET 1 A 2 LEU A 5 LYS A 8 0 SHEET 2 A 2 ILE A 48 ARG A 51 -1 O SER A 49 N LYS A 7 SHEET 1 B 5 MET A 17 ARG A 18 0 SHEET 2 B 5 TYR A 26 SER A 29 -1 O ASP A 27 N MET A 17 SHEET 3 B 5 ARG A 106 GLN A 114 -1 O LEU A 110 N TYR A 26 SHEET 4 B 5 THR A 56 ALA A 61 -1 N ALA A 61 O GLN A 109 SHEET 5 B 5 VAL A 78 ILE A 79 -1 O ILE A 79 N GLY A 58 SHEET 1 C 2 VAL A 34 VAL A 36 0 SHEET 2 C 2 TYR A 99 ILE A 101 -1 O ILE A 101 N VAL A 34 SHEET 1 D 3 ARG A 41 SER A 45 0 SHEET 2 D 3 LYS A 88 ASN A 93 -1 O VAL A 89 N VAL A 44 SHEET 3 D 3 ILE A 72 VAL A 74 -1 N ASP A 73 O TYR A 92 SHEET 1 E 2 LEU B 5 LYS B 8 0 SHEET 2 E 2 ILE B 48 ARG B 51 -1 O SER B 49 N LYS B 7 SHEET 1 F 4 TYR B 26 SER B 29 0 SHEET 2 F 4 ARG B 106 GLN B 114 -1 O LEU B 110 N TYR B 26 SHEET 3 F 4 THR B 56 ALA B 61 -1 N ALA B 61 O GLN B 109 SHEET 4 F 4 VAL B 78 ILE B 79 -1 O ILE B 79 N GLY B 58 SHEET 1 G 2 VAL B 34 VAL B 36 0 SHEET 2 G 2 TYR B 99 ILE B 101 -1 O ILE B 101 N VAL B 34 SHEET 1 H 3 ARG B 41 SER B 45 0 SHEET 2 H 3 LYS B 88 ASN B 93 -1 O VAL B 89 N VAL B 44 SHEET 3 H 3 ILE B 72 VAL B 74 -1 N ASP B 73 O TYR B 92 SITE *** AC1 1 ASP A 73 SITE *** AC2 1 ASP B 73 SITE *** AC3 10 ARG A 63 SER A 64 GLY A 65 ALA A 76 SITE *** AC3 10 GLY A 77 ILE A 79 ASP A 80 TYR A 83 SITE *** AC3 10 LYS A 88 HOH A1001 SITE *** AC4 11 ARG B 63 SER B 64 GLY B 65 ALA B 76 SITE *** AC4 11 GLY B 77 ILE B 79 ASP B 80 TYR B 83 SITE *** AC4 11 LYS B 88 ILE B 90 HOH B1002 CRYST1 105.678 105.678 105.678 90.00 90.00 90.00 P 21 3 24 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 0.009463 0.000000 0.000000 0.00000 SCALE2 0.000000 0.009463 0.000000 0.00000 SCALE3 0.000000 0.000000 0.009463 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 Set 1.1: B 93 ASN : amide:sc= -1.81! C(o=-0.52!,f=-3.4!) USER MOD Set 1.2: B 95 THR OG1 : rot -56:sc= 1.29 USER MOD Set 2.1: B 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: B 92 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 69 LYS NZ :NH3+ -147:sc=-0.00936 (180deg=-0.751) USER MOD Set 3.2: A 70 TYR OH : rot 180:sc= 0.117 USER MOD Set 4.1: A 45 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 88 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0267) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -127:sc= 0.161 (180deg=0) USER MOD Single : A 2 SER OG : rot 55:sc= 0.121 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -178:sc= 0.11 (180deg=0.109) USER MOD Single : A 12 SER OG : rot 50:sc= -0.0215 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -129:sc= -0.0401 (180deg=-0.188) USER MOD Single : A 20 SER OG : rot 180:sc= -1.54! USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -123:sc= 0.509 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -78:sc= 0.883 USER MOD Single : A 49 SER OG : rot 82:sc= 0.578 USER MOD Single : A 56 THR OG1 : rot 180:sc= -2.11 USER MOD Single : A 57 TYR OH : rot 180:sc=-0.00681 USER MOD Single : A 64 SER OG : rot 180:sc= 0.0326 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot -176:sc= 1.03 USER MOD Single : A 84 THR OG1 : rot -41:sc= 0.0151 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -0.377 K(o=-0.38,f=-13!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 121:sc= 0.565 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 156:sc= -0.0293 (180deg=-0.218) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= 0.433 K(o=0.43,f=-0.28) USER MOD Single : A 114 GLN : amide:sc= -1.14 K(o=-1.1,f=-0.027) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 777 DUD O3' : rot -76:sc= -0.487! USER MOD Single : B 1 MET CE :methyl -123:sc= -0.551 (180deg=-1.77) USER MOD Single : B 1 MET N :NH3+ 165:sc= 0.886 (180deg=0.0986) USER MOD Single : B 2 SER OG : rot 180:sc= 0.343! USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 LYS NZ :NH3+ 174:sc= -4.43! (180deg=-4.58!) USER MOD Single : B 12 SER OG : rot -160:sc= -1.67! USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 15 THR OG1 : rot 180:sc= 0 USER MOD Single : B 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 20 SER OG : rot 180:sc= -0.0176 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 29 SER OG : rot 180:sc= 0 USER MOD Single : B 30 SER OG : rot -102:sc= 0.0286 USER MOD Single : B 45 SER OG : rot 81:sc= 0.0234 USER MOD Single : B 46 THR OG1 : rot -58:sc= 0.9 USER MOD Single : B 49 SER OG : rot 109:sc= 1.28 USER MOD Single : B 56 THR OG1 : rot -36:sc= -1.44! USER MOD Single : B 57 TYR OH : rot 68:sc= 0.0142 USER MOD Single : B 64 SER OG : rot 180:sc= 0 USER MOD Single : B 68 TYR OH : rot 180:sc= 0 USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 TYR OH : rot 180:sc= 0 USER MOD Single : B 83 TYR OH : rot -163:sc= 1.35 USER MOD Single : B 84 THR OG1 : rot 180:sc= 0 USER MOD Single : B 88 LYS NZ :NH3+ 142:sc= -0.11 (180deg=-0.535) USER MOD Single : B 94 THR OG1 : rot 180:sc= 0 USER MOD Single : B 99 TYR OH : rot 180:sc= 0 USER MOD Single : B 102 LYS NZ :NH3+ 176:sc= 0.186 (180deg=0.165) USER MOD Single : B 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 109 GLN : amide:sc=-0.00758 X(o=-0.0076,f=0) USER MOD Single : B 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 117 THR OG1 : rot -69:sc= 0.227 USER MOD Single : B 778 DUD O3' : rot -41:sc= 1.56 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.620 -24.757 -2.284 1.00 59.99 N ATOM 2 CA MET A 1 -1.728 -23.876 -2.757 1.00 59.59 C ATOM 3 C MET A 1 -1.230 -22.434 -2.691 1.00 58.59 C ATOM 4 O MET A 1 -0.094 -22.196 -2.273 1.00 59.33 O ATOM 5 CB MET A 1 -2.966 -24.071 -1.869 1.00 60.31 C ATOM 6 CG MET A 1 -4.260 -23.592 -2.515 1.00 63.52 C ATOM 7 SD MET A 1 -5.763 -24.347 -1.832 1.00 65.70 S ATOM 8 CE MET A 1 -5.768 -25.951 -2.705 1.00 63.95 C ATOM 0 H1 MET A 1 -0.462 -25.388 -2.891 1.00 59.99 H new ATOM 0 H2 MET A 1 0.116 -24.271 -2.164 1.00 59.99 H new ATOM 0 H3 MET A 1 -0.852 -25.138 -1.514 1.00 59.99 H new ATOM 0 HA MET A 1 -1.983 -24.096 -3.667 1.00 59.59 H new ATOM 0 HB2 MET A 1 -3.052 -25.012 -1.649 1.00 60.31 H new ATOM 0 HB3 MET A 1 -2.834 -23.595 -1.034 1.00 60.31 H new ATOM 0 HG2 MET A 1 -4.321 -22.629 -2.416 1.00 63.52 H new ATOM 0 HG3 MET A 1 -4.222 -23.777 -3.466 1.00 63.52 H new ATOM 0 HE1 MET A 1 -6.539 -26.469 -2.426 1.00 63.95 H new ATOM 0 HE2 MET A 1 -5.810 -25.799 -3.662 1.00 63.95 H new ATOM 0 HE3 MET A 1 -4.957 -26.438 -2.491 1.00 63.95 H new ATOM 9 N SER A 2 -2.055 -21.476 -3.116 1.00 56.84 N ATOM 10 CA SER A 2 -1.654 -20.066 -3.075 1.00 54.53 C ATOM 11 C SER A 2 -2.250 -19.320 -1.877 1.00 52.27 C ATOM 12 O SER A 2 -3.192 -18.534 -1.995 1.00 51.53 O ATOM 13 CB SER A 2 -2.022 -19.356 -4.382 1.00 55.39 C ATOM 14 OG SER A 2 -3.394 -19.519 -4.682 1.00 57.33 O ATOM 0 H SER A 2 -2.843 -21.618 -3.429 1.00 56.84 H new ATOM 0 HA SER A 2 -0.690 -20.054 -2.969 1.00 54.53 H new ATOM 0 HB2 SER A 2 -1.814 -18.411 -4.310 1.00 55.39 H new ATOM 0 HB3 SER A 2 -1.485 -19.710 -5.108 1.00 55.39 H new ATOM 0 HG SER A 2 -3.856 -19.258 -4.031 1.00 57.33 H new ATOM 15 N SER A 3 -1.686 -19.612 -0.714 1.00 50.13 N ATOM 16 CA SER A 3 -2.066 -18.997 0.546 1.00 48.08 C ATOM 17 C SER A 3 -0.736 -18.428 1.003 1.00 46.51 C ATOM 18 O SER A 3 0.177 -18.252 0.188 1.00 46.81 O ATOM 19 CB SER A 3 -2.526 -20.050 1.555 1.00 48.39 C ATOM 20 OG SER A 3 -3.528 -20.886 1.012 1.00 49.81 O ATOM 0 H SER A 3 -1.054 -20.190 -0.635 1.00 50.13 H new ATOM 0 HA SER A 3 -2.792 -18.358 0.465 1.00 48.08 H new ATOM 0 HB2 SER A 3 -1.768 -20.589 1.830 1.00 48.39 H new ATOM 0 HB3 SER A 3 -2.866 -19.611 2.350 1.00 48.39 H new ATOM 0 HG SER A 3 -3.760 -21.454 1.585 1.00 49.81 H new ATOM 21 N LEU A 4 -0.607 -18.160 2.295 1.00 43.71 N ATOM 22 CA LEU A 4 0.645 -17.630 2.796 1.00 40.93 C ATOM 23 C LEU A 4 1.510 -18.786 3.283 1.00 39.93 C ATOM 24 O LEU A 4 1.263 -19.350 4.345 1.00 39.89 O ATOM 25 CB LEU A 4 0.386 -16.624 3.926 1.00 39.99 C ATOM 26 CG LEU A 4 1.587 -15.827 4.456 1.00 38.88 C ATOM 27 CD1 LEU A 4 2.350 -15.204 3.300 1.00 38.07 C ATOM 28 CD2 LEU A 4 1.106 -14.756 5.419 1.00 37.66 C ATOM 0 H LEU A 4 -1.221 -18.276 2.886 1.00 43.71 H new ATOM 0 HA LEU A 4 1.110 -17.161 2.086 1.00 40.93 H new ATOM 0 HB2 LEU A 4 -0.280 -15.991 3.616 1.00 39.99 H new ATOM 0 HB3 LEU A 4 -0.006 -17.106 4.671 1.00 39.99 H new ATOM 0 HG LEU A 4 2.185 -16.426 4.930 1.00 38.88 H new ATOM 0 HD11 LEU A 4 3.106 -14.703 3.644 1.00 38.07 H new ATOM 0 HD12 LEU A 4 2.668 -15.903 2.708 1.00 38.07 H new ATOM 0 HD13 LEU A 4 1.764 -14.607 2.809 1.00 38.07 H new ATOM 0 HD21 LEU A 4 1.867 -14.255 5.752 1.00 37.66 H new ATOM 0 HD22 LEU A 4 0.500 -14.155 4.958 1.00 37.66 H new ATOM 0 HD23 LEU A 4 0.644 -15.173 6.163 1.00 37.66 H new ATOM 29 N LEU A 5 2.508 -19.155 2.485 1.00 38.84 N ATOM 30 CA LEU A 5 3.413 -20.235 2.852 1.00 38.50 C ATOM 31 C LEU A 5 4.447 -19.671 3.811 1.00 38.54 C ATOM 32 O LEU A 5 5.244 -18.817 3.420 1.00 38.83 O ATOM 33 CB LEU A 5 4.143 -20.777 1.627 1.00 38.12 C ATOM 34 CG LEU A 5 3.332 -21.302 0.452 1.00 38.71 C ATOM 35 CD1 LEU A 5 2.676 -20.137 -0.297 1.00 39.58 C ATOM 36 CD2 LEU A 5 4.266 -22.074 -0.467 1.00 37.33 C ATOM 0 H LEU A 5 2.677 -18.790 1.725 1.00 38.84 H new ATOM 0 HA LEU A 5 2.902 -20.955 3.254 1.00 38.50 H new ATOM 0 HB2 LEU A 5 4.717 -20.070 1.293 1.00 38.12 H new ATOM 0 HB3 LEU A 5 4.722 -21.495 1.926 1.00 38.12 H new ATOM 0 HG LEU A 5 2.626 -21.888 0.767 1.00 38.71 H new ATOM 0 HD11 LEU A 5 2.161 -20.481 -1.044 1.00 39.58 H new ATOM 0 HD12 LEU A 5 2.088 -19.655 0.305 1.00 39.58 H new ATOM 0 HD13 LEU A 5 3.363 -19.537 -0.627 1.00 39.58 H new ATOM 0 HD21 LEU A 5 3.765 -22.417 -1.224 1.00 37.33 H new ATOM 0 HD22 LEU A 5 4.968 -21.485 -0.785 1.00 37.33 H new ATOM 0 HD23 LEU A 5 4.662 -22.814 0.020 1.00 37.33 H new ATOM 37 N VAL A 6 4.445 -20.151 5.054 1.00 37.94 N ATOM 38 CA VAL A 6 5.392 -19.669 6.057 1.00 37.43 C ATOM 39 C VAL A 6 6.395 -20.740 6.480 1.00 37.93 C ATOM 40 O VAL A 6 6.029 -21.893 6.681 1.00 37.99 O ATOM 41 CB VAL A 6 4.652 -19.165 7.306 1.00 36.20 C ATOM 42 CG1 VAL A 6 5.642 -18.576 8.295 1.00 35.12 C ATOM 43 CG2 VAL A 6 3.615 -18.135 6.901 1.00 35.18 C ATOM 0 H VAL A 6 3.903 -20.756 5.336 1.00 37.94 H new ATOM 0 HA VAL A 6 5.881 -18.942 5.640 1.00 37.43 H new ATOM 0 HB VAL A 6 4.200 -19.908 7.736 1.00 36.20 H new ATOM 0 HG11 VAL A 6 5.167 -18.261 9.080 1.00 35.12 H new ATOM 0 HG12 VAL A 6 6.282 -19.256 8.557 1.00 35.12 H new ATOM 0 HG13 VAL A 6 6.111 -17.834 7.881 1.00 35.12 H new ATOM 0 HG21 VAL A 6 3.149 -17.818 7.690 1.00 35.18 H new ATOM 0 HG22 VAL A 6 4.054 -17.389 6.463 1.00 35.18 H new ATOM 0 HG23 VAL A 6 2.979 -18.539 6.290 1.00 35.18 H new ATOM 44 N LYS A 7 7.659 -20.344 6.627 1.00 38.50 N ATOM 45 CA LYS A 7 8.723 -21.270 7.018 1.00 38.74 C ATOM 46 C LYS A 7 9.561 -20.766 8.198 1.00 37.55 C ATOM 47 O LYS A 7 10.452 -19.938 8.017 1.00 37.46 O ATOM 48 CB LYS A 7 9.643 -21.527 5.820 1.00 41.24 C ATOM 49 CG LYS A 7 10.732 -22.583 6.051 1.00 44.86 C ATOM 50 CD LYS A 7 11.388 -22.987 4.722 1.00 47.36 C ATOM 51 CE LYS A 7 12.359 -24.156 4.891 1.00 48.73 C ATOM 52 NZ LYS A 7 12.959 -24.574 3.586 1.00 48.07 N ATOM 0 H LYS A 7 7.923 -19.535 6.504 1.00 38.50 H new ATOM 0 HA LYS A 7 8.290 -22.089 7.306 1.00 38.74 H new ATOM 0 HB2 LYS A 7 9.099 -21.803 5.066 1.00 41.24 H new ATOM 0 HB3 LYS A 7 10.069 -20.692 5.572 1.00 41.24 H new ATOM 0 HG2 LYS A 7 11.405 -22.233 6.656 1.00 44.86 H new ATOM 0 HG3 LYS A 7 10.346 -23.364 6.477 1.00 44.86 H new ATOM 0 HD2 LYS A 7 10.699 -23.230 4.084 1.00 47.36 H new ATOM 0 HD3 LYS A 7 11.862 -22.226 4.352 1.00 47.36 H new ATOM 0 HE2 LYS A 7 13.066 -23.903 5.505 1.00 48.73 H new ATOM 0 HE3 LYS A 7 11.893 -24.908 5.288 1.00 48.73 H new ATOM 0 HZ1 LYS A 7 13.517 -25.254 3.720 1.00 48.07 H new ATOM 0 HZ2 LYS A 7 12.312 -24.827 3.029 1.00 48.07 H new ATOM 0 HZ3 LYS A 7 13.405 -23.890 3.231 1.00 48.07 H new ATOM 53 N LYS A 8 9.283 -21.273 9.398 1.00 35.92 N ATOM 54 CA LYS A 8 10.025 -20.870 10.592 1.00 34.56 C ATOM 55 C LYS A 8 11.491 -21.275 10.488 1.00 34.25 C ATOM 56 O LYS A 8 11.806 -22.382 10.069 1.00 34.86 O ATOM 57 CB LYS A 8 9.416 -21.514 11.831 1.00 33.31 C ATOM 58 CG LYS A 8 7.932 -21.276 11.990 1.00 32.83 C ATOM 59 CD LYS A 8 7.461 -21.704 13.374 1.00 32.95 C ATOM 60 CE LYS A 8 5.999 -21.351 13.588 1.00 32.91 C ATOM 61 NZ LYS A 8 5.592 -21.492 15.011 1.00 33.53 N ATOM 0 H LYS A 8 8.666 -21.854 9.543 1.00 35.92 H new ATOM 0 HA LYS A 8 9.970 -19.904 10.664 1.00 34.56 H new ATOM 0 HB2 LYS A 8 9.578 -22.470 11.799 1.00 33.31 H new ATOM 0 HB3 LYS A 8 9.873 -21.175 12.617 1.00 33.31 H new ATOM 0 HG2 LYS A 8 7.734 -20.336 11.853 1.00 32.83 H new ATOM 0 HG3 LYS A 8 7.446 -21.770 11.311 1.00 32.83 H new ATOM 0 HD2 LYS A 8 7.585 -22.660 13.479 1.00 32.95 H new ATOM 0 HD3 LYS A 8 8.004 -21.271 14.052 1.00 32.95 H new ATOM 0 HE2 LYS A 8 5.842 -20.439 13.297 1.00 32.91 H new ATOM 0 HE3 LYS A 8 5.445 -21.925 13.036 1.00 32.91 H new ATOM 0 HZ1 LYS A 8 4.726 -21.306 15.092 1.00 33.53 H new ATOM 0 HZ2 LYS A 8 5.742 -22.326 15.282 1.00 33.53 H new ATOM 0 HZ3 LYS A 8 6.064 -20.928 15.512 1.00 33.53 H new ATOM 62 N LEU A 9 12.387 -20.379 10.877 1.00 34.35 N ATOM 63 CA LEU A 9 13.818 -20.659 10.811 1.00 35.23 C ATOM 64 C LEU A 9 14.427 -20.669 12.211 1.00 36.44 C ATOM 65 O LEU A 9 15.649 -20.692 12.376 1.00 36.90 O ATOM 66 CB LEU A 9 14.521 -19.604 9.949 1.00 33.78 C ATOM 67 CG LEU A 9 13.869 -19.288 8.600 1.00 32.17 C ATOM 68 CD1 LEU A 9 14.745 -18.304 7.850 1.00 31.50 C ATOM 69 CD2 LEU A 9 13.657 -20.558 7.788 1.00 30.95 C ATOM 0 H LEU A 9 12.189 -19.600 11.183 1.00 34.35 H new ATOM 0 HA LEU A 9 13.941 -21.534 10.410 1.00 35.23 H new ATOM 0 HB2 LEU A 9 14.578 -18.782 10.460 1.00 33.78 H new ATOM 0 HB3 LEU A 9 15.430 -19.900 9.786 1.00 33.78 H new ATOM 0 HG LEU A 9 12.996 -18.892 8.749 1.00 32.17 H new ATOM 0 HD11 LEU A 9 14.340 -18.098 6.993 1.00 31.50 H new ATOM 0 HD12 LEU A 9 14.835 -17.490 8.369 1.00 31.50 H new ATOM 0 HD13 LEU A 9 15.621 -18.694 7.707 1.00 31.50 H new ATOM 0 HD21 LEU A 9 13.244 -20.335 6.939 1.00 30.95 H new ATOM 0 HD22 LEU A 9 14.512 -20.986 7.628 1.00 30.95 H new ATOM 0 HD23 LEU A 9 13.080 -21.163 8.279 1.00 30.95 H new ATOM 70 N VAL A 10 13.551 -20.639 13.208 1.00 36.96 N ATOM 71 CA VAL A 10 13.921 -20.649 14.616 1.00 37.60 C ATOM 72 C VAL A 10 12.635 -21.059 15.307 1.00 39.63 C ATOM 73 O VAL A 10 11.568 -20.585 14.930 1.00 40.59 O ATOM 74 CB VAL A 10 14.338 -19.242 15.109 1.00 36.58 C ATOM 75 CG1 VAL A 10 14.294 -19.183 16.622 1.00 37.02 C ATOM 76 CG2 VAL A 10 15.740 -18.915 14.639 1.00 35.26 C ATOM 0 H VAL A 10 12.701 -20.611 13.080 1.00 36.96 H new ATOM 0 HA VAL A 10 14.675 -21.233 14.791 1.00 37.60 H new ATOM 0 HB VAL A 10 13.716 -18.594 14.742 1.00 36.58 H new ATOM 0 HG11 VAL A 10 14.557 -18.298 16.919 1.00 37.02 H new ATOM 0 HG12 VAL A 10 13.393 -19.372 16.927 1.00 37.02 H new ATOM 0 HG13 VAL A 10 14.904 -19.841 16.990 1.00 37.02 H new ATOM 0 HG21 VAL A 10 15.989 -18.032 14.954 1.00 35.26 H new ATOM 0 HG22 VAL A 10 16.361 -19.571 14.992 1.00 35.26 H new ATOM 0 HG23 VAL A 10 15.769 -18.932 13.670 1.00 35.26 H new ATOM 77 N GLU A 11 12.719 -21.943 16.298 1.00 41.61 N ATOM 78 CA GLU A 11 11.519 -22.388 17.001 1.00 43.04 C ATOM 79 C GLU A 11 10.830 -21.208 17.687 1.00 41.95 C ATOM 80 O GLU A 11 9.603 -21.175 17.819 1.00 41.86 O ATOM 81 CB GLU A 11 11.864 -23.447 18.044 1.00 46.36 C ATOM 82 CG GLU A 11 10.627 -24.001 18.735 1.00 53.25 C ATOM 83 CD GLU A 11 10.940 -24.684 20.054 1.00 57.37 C ATOM 84 OE1 GLU A 11 11.673 -25.702 20.039 1.00 59.47 O ATOM 85 OE2 GLU A 11 10.450 -24.198 21.104 1.00 59.87 O ATOM 0 H GLU A 11 13.453 -22.294 16.576 1.00 41.61 H new ATOM 0 HA GLU A 11 10.917 -22.773 16.345 1.00 43.04 H new ATOM 0 HB2 GLU A 11 12.346 -24.173 17.618 1.00 46.36 H new ATOM 0 HB3 GLU A 11 12.458 -23.063 18.708 1.00 46.36 H new ATOM 0 HG2 GLU A 11 9.999 -23.278 18.892 1.00 53.25 H new ATOM 0 HG3 GLU A 11 10.189 -24.634 18.145 1.00 53.25 H new ATOM 86 N SER A 12 11.638 -20.247 18.122 1.00 40.07 N ATOM 87 CA SER A 12 11.146 -19.047 18.783 1.00 38.96 C ATOM 88 C SER A 12 10.092 -18.330 17.928 1.00 38.15 C ATOM 89 O SER A 12 9.139 -17.745 18.450 1.00 37.78 O ATOM 90 CB SER A 12 12.329 -18.110 19.059 1.00 39.65 C ATOM 91 OG SER A 12 11.910 -16.877 19.618 1.00 39.84 O ATOM 0 H SER A 12 12.494 -20.274 18.041 1.00 40.07 H new ATOM 0 HA SER A 12 10.722 -19.302 19.617 1.00 38.96 H new ATOM 0 HB2 SER A 12 12.950 -18.544 19.664 1.00 39.65 H new ATOM 0 HB3 SER A 12 12.808 -17.943 18.232 1.00 39.65 H new ATOM 0 HG SER A 12 11.397 -17.023 20.267 1.00 39.84 H new ATOM 92 N ALA A 13 10.277 -18.392 16.610 1.00 36.90 N ATOM 93 CA ALA A 13 9.387 -17.758 15.634 1.00 34.54 C ATOM 94 C ALA A 13 7.905 -18.134 15.746 1.00 32.54 C ATOM 95 O ALA A 13 7.558 -19.287 16.004 1.00 32.83 O ATOM 96 CB ALA A 13 9.888 -18.053 14.229 1.00 34.90 C ATOM 0 H ALA A 13 10.936 -18.812 16.250 1.00 36.90 H new ATOM 0 HA ALA A 13 9.419 -16.810 15.835 1.00 34.54 H new ATOM 0 HB1 ALA A 13 9.300 -17.634 13.581 1.00 34.90 H new ATOM 0 HB2 ALA A 13 10.786 -17.701 14.125 1.00 34.90 H new ATOM 0 HB3 ALA A 13 9.898 -19.012 14.083 1.00 34.90 H new ATOM 97 N THR A 14 7.048 -17.141 15.520 1.00 30.26 N ATOM 98 CA THR A 14 5.590 -17.282 15.587 1.00 27.96 C ATOM 99 C THR A 14 4.955 -17.365 14.191 1.00 28.04 C ATOM 100 O THR A 14 5.420 -16.717 13.262 1.00 27.95 O ATOM 101 CB THR A 14 4.985 -16.060 16.293 1.00 25.51 C ATOM 102 OG1 THR A 14 5.730 -15.779 17.480 1.00 23.81 O ATOM 103 CG2 THR A 14 3.546 -16.303 16.636 1.00 23.86 C ATOM 0 H THR A 14 7.303 -16.345 15.318 1.00 30.26 H new ATOM 0 HA THR A 14 5.407 -18.102 16.071 1.00 27.96 H new ATOM 0 HB THR A 14 5.030 -15.299 15.694 1.00 25.51 H new ATOM 0 HG1 THR A 14 5.400 -15.110 17.866 1.00 23.81 H new ATOM 0 HG21 THR A 14 3.183 -15.521 17.080 1.00 23.86 H new ATOM 0 HG22 THR A 14 3.044 -16.475 15.824 1.00 23.86 H new ATOM 0 HG23 THR A 14 3.479 -17.070 17.226 1.00 23.86 H new ATOM 104 N THR A 15 3.892 -18.140 14.024 1.00 28.43 N ATOM 105 CA THR A 15 3.275 -18.191 12.701 1.00 29.69 C ATOM 106 C THR A 15 2.420 -16.948 12.504 1.00 29.93 C ATOM 107 O THR A 15 1.571 -16.638 13.344 1.00 30.58 O ATOM 108 CB THR A 15 2.360 -19.423 12.514 1.00 29.91 C ATOM 109 OG1 THR A 15 3.125 -20.622 12.666 1.00 32.59 O ATOM 110 CG2 THR A 15 1.745 -19.421 11.119 1.00 29.50 C ATOM 0 H THR A 15 3.524 -18.625 14.631 1.00 28.43 H new ATOM 0 HA THR A 15 3.996 -18.245 12.055 1.00 29.69 H new ATOM 0 HB THR A 15 1.658 -19.384 13.182 1.00 29.91 H new ATOM 0 HG1 THR A 15 2.624 -21.289 12.565 1.00 32.59 H new ATOM 0 HG21 THR A 15 1.174 -20.198 11.016 1.00 29.50 H new ATOM 0 HG22 THR A 15 1.218 -18.615 10.998 1.00 29.50 H new ATOM 0 HG23 THR A 15 2.451 -19.448 10.454 1.00 29.50 H new ATOM 111 N PRO A 16 2.635 -16.206 11.401 1.00 30.17 N ATOM 112 CA PRO A 16 1.802 -15.011 11.212 1.00 30.61 C ATOM 113 C PRO A 16 0.327 -15.392 11.293 1.00 30.86 C ATOM 114 O PRO A 16 -0.071 -16.478 10.869 1.00 31.28 O ATOM 115 CB PRO A 16 2.227 -14.486 9.835 1.00 29.22 C ATOM 116 CG PRO A 16 2.836 -15.680 9.168 1.00 30.27 C ATOM 117 CD PRO A 16 3.566 -16.384 10.277 1.00 29.82 C ATOM 0 HA PRO A 16 1.918 -14.328 11.891 1.00 30.61 H new ATOM 0 HB2 PRO A 16 1.469 -14.147 9.334 1.00 29.22 H new ATOM 0 HB3 PRO A 16 2.864 -13.759 9.913 1.00 29.22 H new ATOM 0 HG2 PRO A 16 2.158 -16.249 8.772 1.00 30.27 H new ATOM 0 HG3 PRO A 16 3.440 -15.419 8.455 1.00 30.27 H new ATOM 0 HD2 PRO A 16 3.720 -17.320 10.076 1.00 29.82 H new ATOM 0 HD3 PRO A 16 4.432 -15.986 10.454 1.00 29.82 H new ATOM 118 N MET A 17 -0.485 -14.505 11.849 1.00 31.48 N ATOM 119 CA MET A 17 -1.894 -14.811 12.001 1.00 32.19 C ATOM 120 C MET A 17 -2.739 -13.545 12.091 1.00 31.21 C ATOM 121 O MET A 17 -2.347 -12.580 12.741 1.00 31.42 O ATOM 122 CB MET A 17 -2.059 -15.645 13.263 1.00 34.45 C ATOM 123 CG MET A 17 -3.423 -16.217 13.471 1.00 37.53 C ATOM 124 SD MET A 17 -3.490 -16.906 15.115 1.00 42.09 S ATOM 125 CE MET A 17 -3.810 -15.361 16.077 1.00 40.43 C ATOM 0 H MET A 17 -0.244 -13.733 12.140 1.00 31.48 H new ATOM 0 HA MET A 17 -2.201 -15.301 11.222 1.00 32.19 H new ATOM 0 HB2 MET A 17 -1.418 -16.373 13.239 1.00 34.45 H new ATOM 0 HB3 MET A 17 -1.834 -15.095 14.029 1.00 34.45 H new ATOM 0 HG2 MET A 17 -4.099 -15.529 13.364 1.00 37.53 H new ATOM 0 HG3 MET A 17 -3.608 -16.901 12.809 1.00 37.53 H new ATOM 0 HE1 MET A 17 -3.172 -15.294 16.804 1.00 40.43 H new ATOM 0 HE2 MET A 17 -3.717 -14.591 15.494 1.00 40.43 H new ATOM 0 HE3 MET A 17 -4.710 -15.385 16.438 1.00 40.43 H new ATOM 126 N ARG A 18 -3.894 -13.548 11.430 1.00 30.47 N ATOM 127 CA ARG A 18 -4.779 -12.390 11.460 1.00 29.94 C ATOM 128 C ARG A 18 -5.535 -12.332 12.786 1.00 30.79 C ATOM 129 O ARG A 18 -5.984 -13.354 13.311 1.00 31.25 O ATOM 130 CB ARG A 18 -5.759 -12.423 10.287 1.00 27.47 C ATOM 131 CG ARG A 18 -5.098 -12.284 8.927 1.00 26.36 C ATOM 132 CD ARG A 18 -6.126 -11.892 7.902 1.00 25.50 C ATOM 133 NE ARG A 18 -7.285 -12.770 7.986 1.00 26.62 N ATOM 134 CZ ARG A 18 -8.527 -12.414 7.670 1.00 26.71 C ATOM 135 NH1 ARG A 18 -9.521 -13.289 7.775 1.00 25.65 N ATOM 136 NH2 ARG A 18 -8.780 -11.181 7.256 1.00 27.81 N ATOM 0 H ARG A 18 -4.182 -14.208 10.960 1.00 30.47 H new ATOM 0 HA ARG A 18 -4.236 -11.591 11.378 1.00 29.94 H new ATOM 0 HB2 ARG A 18 -6.252 -13.258 10.313 1.00 27.47 H new ATOM 0 HB3 ARG A 18 -6.405 -11.708 10.397 1.00 27.47 H new ATOM 0 HG2 ARG A 18 -4.396 -11.616 8.966 1.00 26.36 H new ATOM 0 HG3 ARG A 18 -4.679 -13.122 8.674 1.00 26.36 H new ATOM 0 HD2 ARG A 18 -6.399 -10.972 8.044 1.00 25.50 H new ATOM 0 HD3 ARG A 18 -5.740 -11.940 7.013 1.00 25.50 H new ATOM 0 HE ARG A 18 -7.157 -13.575 8.259 1.00 26.62 H new ATOM 0 HH11 ARG A 18 -9.363 -14.089 8.048 1.00 25.65 H new ATOM 0 HH12 ARG A 18 -10.323 -13.055 7.570 1.00 25.65 H new ATOM 0 HH21 ARG A 18 -8.141 -10.609 7.191 1.00 27.81 H new ATOM 0 HH22 ARG A 18 -9.584 -10.952 7.052 1.00 27.81 H new ATOM 137 N GLY A 19 -5.671 -11.126 13.325 1.00 31.12 N ATOM 138 CA GLY A 19 -6.339 -10.958 14.600 1.00 30.92 C ATOM 139 C GLY A 19 -7.846 -10.860 14.569 1.00 31.20 C ATOM 140 O GLY A 19 -8.469 -10.734 15.619 1.00 32.51 O ATOM 0 H GLY A 19 -5.384 -10.398 12.968 1.00 31.12 H new ATOM 0 HA2 GLY A 19 -6.096 -11.704 15.170 1.00 30.92 H new ATOM 0 HA3 GLY A 19 -5.992 -10.156 15.020 1.00 30.92 H new ATOM 141 N SER A 20 -8.445 -10.900 13.388 1.00 31.13 N ATOM 142 CA SER A 20 -9.894 -10.822 13.310 1.00 31.76 C ATOM 143 C SER A 20 -10.436 -11.208 11.945 1.00 33.03 C ATOM 144 O SER A 20 -9.685 -11.341 10.982 1.00 33.34 O ATOM 145 CB SER A 20 -10.369 -9.420 13.692 1.00 30.95 C ATOM 146 OG SER A 20 -9.749 -8.430 12.901 1.00 31.75 O ATOM 0 H SER A 20 -8.040 -10.971 12.633 1.00 31.13 H new ATOM 0 HA SER A 20 -10.244 -11.469 13.942 1.00 31.76 H new ATOM 0 HB2 SER A 20 -11.332 -9.364 13.587 1.00 30.95 H new ATOM 0 HB3 SER A 20 -10.176 -9.256 14.628 1.00 30.95 H new ATOM 0 HG SER A 20 -10.029 -7.672 13.131 1.00 31.75 H new ATOM 147 N GLU A 21 -11.747 -11.407 11.877 1.00 34.17 N ATOM 148 CA GLU A 21 -12.409 -11.783 10.640 1.00 35.61 C ATOM 149 C GLU A 21 -12.092 -10.800 9.521 1.00 34.89 C ATOM 150 O GLU A 21 -11.725 -11.206 8.418 1.00 34.64 O ATOM 151 CB GLU A 21 -13.924 -11.831 10.860 1.00 39.49 C ATOM 152 CG GLU A 21 -14.570 -13.162 10.515 1.00 43.97 C ATOM 153 CD GLU A 21 -13.802 -14.339 11.096 1.00 47.22 C ATOM 154 OE1 GLU A 21 -12.742 -14.696 10.526 1.00 48.57 O ATOM 155 OE2 GLU A 21 -14.250 -14.896 12.127 1.00 48.83 O ATOM 0 H GLU A 21 -12.277 -11.327 12.550 1.00 34.17 H new ATOM 0 HA GLU A 21 -12.083 -12.658 10.379 1.00 35.61 H new ATOM 0 HB2 GLU A 21 -14.111 -11.625 11.789 1.00 39.49 H new ATOM 0 HB3 GLU A 21 -14.339 -11.135 10.326 1.00 39.49 H new ATOM 0 HG2 GLU A 21 -15.480 -13.175 10.850 1.00 43.97 H new ATOM 0 HG3 GLU A 21 -14.621 -13.255 9.551 1.00 43.97 H new ATOM 156 N GLY A 22 -12.232 -9.508 9.821 1.00 34.08 N ATOM 157 CA GLY A 22 -11.984 -8.470 8.830 1.00 32.89 C ATOM 158 C GLY A 22 -10.583 -7.891 8.799 1.00 31.21 C ATOM 159 O GLY A 22 -10.273 -7.054 7.948 1.00 31.11 O ATOM 0 H GLY A 22 -12.470 -9.215 10.594 1.00 34.08 H new ATOM 0 HA2 GLY A 22 -12.183 -8.833 7.953 1.00 32.89 H new ATOM 0 HA3 GLY A 22 -12.610 -7.745 8.985 1.00 32.89 H new ATOM 160 N ALA A 23 -9.741 -8.337 9.728 1.00 30.01 N ATOM 161 CA ALA A 23 -8.359 -7.881 9.820 1.00 28.38 C ATOM 162 C ALA A 23 -7.734 -7.902 8.442 1.00 27.31 C ATOM 163 O ALA A 23 -7.995 -8.806 7.660 1.00 27.42 O ATOM 164 CB ALA A 23 -7.574 -8.783 10.757 1.00 28.78 C ATOM 0 H ALA A 23 -9.958 -8.916 10.326 1.00 30.01 H new ATOM 0 HA ALA A 23 -8.341 -6.977 10.171 1.00 28.38 H new ATOM 0 HB1 ALA A 23 -6.657 -8.473 10.812 1.00 28.78 H new ATOM 0 HB2 ALA A 23 -7.976 -8.761 11.640 1.00 28.78 H new ATOM 0 HB3 ALA A 23 -7.588 -9.692 10.418 1.00 28.78 H new ATOM 165 N ALA A 24 -6.905 -6.908 8.147 1.00 26.52 N ATOM 166 CA ALA A 24 -6.259 -6.831 6.843 1.00 25.46 C ATOM 167 C ALA A 24 -4.888 -7.486 6.846 1.00 24.38 C ATOM 168 O ALA A 24 -4.377 -7.881 5.797 1.00 23.78 O ATOM 169 CB ALA A 24 -6.136 -5.380 6.406 1.00 25.99 C ATOM 0 H ALA A 24 -6.703 -6.269 8.686 1.00 26.52 H new ATOM 0 HA ALA A 24 -6.816 -7.316 6.214 1.00 25.46 H new ATOM 0 HB1 ALA A 24 -5.705 -5.339 5.538 1.00 25.99 H new ATOM 0 HB2 ALA A 24 -7.019 -4.984 6.347 1.00 25.99 H new ATOM 0 HB3 ALA A 24 -5.605 -4.891 7.054 1.00 25.99 H new ATOM 170 N GLY A 25 -4.292 -7.616 8.023 1.00 23.23 N ATOM 171 CA GLY A 25 -2.973 -8.205 8.066 1.00 23.68 C ATOM 172 C GLY A 25 -2.766 -9.354 9.022 1.00 23.45 C ATOM 173 O GLY A 25 -3.578 -9.592 9.907 1.00 23.48 O ATOM 0 H GLY A 25 -4.623 -7.378 8.780 1.00 23.23 H new ATOM 0 HA2 GLY A 25 -2.751 -8.512 7.173 1.00 23.68 H new ATOM 0 HA3 GLY A 25 -2.338 -7.507 8.292 1.00 23.68 H new ATOM 174 N TYR A 26 -1.668 -10.073 8.813 1.00 23.42 N ATOM 175 CA TYR A 26 -1.279 -11.192 9.648 1.00 24.06 C ATOM 176 C TYR A 26 -0.215 -10.616 10.572 1.00 23.92 C ATOM 177 O TYR A 26 0.763 -10.041 10.090 1.00 23.79 O ATOM 178 CB TYR A 26 -0.654 -12.295 8.798 1.00 26.94 C ATOM 179 CG TYR A 26 -1.537 -12.826 7.696 1.00 28.92 C ATOM 180 CD1 TYR A 26 -1.541 -12.247 6.434 1.00 29.08 C ATOM 181 CD2 TYR A 26 -2.373 -13.911 7.922 1.00 31.11 C ATOM 182 CE1 TYR A 26 -2.356 -12.739 5.429 1.00 30.75 C ATOM 183 CE2 TYR A 26 -3.192 -14.407 6.928 1.00 32.28 C ATOM 184 CZ TYR A 26 -3.181 -13.820 5.688 1.00 32.44 C ATOM 185 OH TYR A 26 -4.019 -14.318 4.720 1.00 35.52 O ATOM 0 H TYR A 26 -1.121 -9.918 8.168 1.00 23.42 H new ATOM 0 HA TYR A 26 -2.034 -11.576 10.121 1.00 24.06 H new ATOM 0 HB2 TYR A 26 0.165 -11.956 8.403 1.00 26.94 H new ATOM 0 HB3 TYR A 26 -0.406 -13.031 9.379 1.00 26.94 H new ATOM 0 HD1 TYR A 26 -0.989 -11.519 6.262 1.00 29.08 H new ATOM 0 HD2 TYR A 26 -2.381 -14.312 8.761 1.00 31.11 H new ATOM 0 HE1 TYR A 26 -2.349 -12.346 4.586 1.00 30.75 H new ATOM 0 HE2 TYR A 26 -3.747 -15.134 7.097 1.00 32.28 H new ATOM 0 HH TYR A 26 -4.450 -14.969 5.030 1.00 35.52 H new ATOM 186 N ASP A 27 -0.390 -10.763 11.885 1.00 23.38 N ATOM 187 CA ASP A 27 0.581 -10.209 12.827 1.00 23.82 C ATOM 188 C ASP A 27 1.974 -10.772 12.602 1.00 23.32 C ATOM 189 O ASP A 27 2.125 -11.943 12.276 1.00 23.66 O ATOM 190 CB ASP A 27 0.152 -10.474 14.271 1.00 24.73 C ATOM 191 CG ASP A 27 -1.106 -9.729 14.651 1.00 27.56 C ATOM 192 OD1 ASP A 27 -1.197 -8.521 14.343 1.00 27.08 O ATOM 193 OD2 ASP A 27 -1.999 -10.350 15.269 1.00 28.83 O ATOM 0 H ASP A 27 -1.054 -11.174 12.246 1.00 23.38 H new ATOM 0 HA ASP A 27 0.610 -9.252 12.670 1.00 23.82 H new ATOM 0 HB2 ASP A 27 0.009 -11.426 14.393 1.00 24.73 H new ATOM 0 HB3 ASP A 27 0.870 -10.216 14.870 1.00 24.73 H new ATOM 194 N ILE A 28 2.990 -9.934 12.764 1.00 22.39 N ATOM 195 CA ILE A 28 4.369 -10.370 12.581 1.00 23.35 C ATOM 196 C ILE A 28 5.065 -10.067 13.893 1.00 24.82 C ATOM 197 O ILE A 28 5.145 -8.907 14.293 1.00 25.70 O ATOM 198 CB ILE A 28 5.074 -9.578 11.461 1.00 22.89 C ATOM 199 CG1 ILE A 28 4.241 -9.607 10.170 1.00 22.38 C ATOM 200 CG2 ILE A 28 6.464 -10.143 11.233 1.00 22.58 C ATOM 201 CD1 ILE A 28 4.168 -10.953 9.476 1.00 22.79 C ATOM 0 H ILE A 28 2.903 -9.106 12.980 1.00 22.39 H new ATOM 0 HA ILE A 28 4.396 -11.308 12.336 1.00 23.35 H new ATOM 0 HB ILE A 28 5.159 -8.650 11.732 1.00 22.89 H new ATOM 0 HG12 ILE A 28 3.339 -9.318 10.378 1.00 22.38 H new ATOM 0 HG13 ILE A 28 4.611 -8.959 9.550 1.00 22.38 H new ATOM 0 HG21 ILE A 28 6.905 -9.643 10.528 1.00 22.58 H new ATOM 0 HG22 ILE A 28 6.980 -10.072 12.051 1.00 22.58 H new ATOM 0 HG23 ILE A 28 6.396 -11.075 10.974 1.00 22.58 H new ATOM 0 HD11 ILE A 28 3.625 -10.876 8.676 1.00 22.79 H new ATOM 0 HD12 ILE A 28 5.062 -11.241 9.233 1.00 22.79 H new ATOM 0 HD13 ILE A 28 3.770 -11.605 10.074 1.00 22.79 H new ATOM 202 N SER A 29 5.575 -11.099 14.560 1.00 25.84 N ATOM 203 CA SER A 29 6.227 -10.916 15.857 1.00 25.23 C ATOM 204 C SER A 29 7.755 -10.906 15.840 1.00 25.39 C ATOM 205 O SER A 29 8.391 -11.404 14.912 1.00 24.29 O ATOM 206 CB SER A 29 5.741 -11.996 16.829 1.00 24.92 C ATOM 207 OG SER A 29 4.323 -12.071 16.836 1.00 26.04 O ATOM 0 H SER A 29 5.555 -11.912 14.281 1.00 25.84 H new ATOM 0 HA SER A 29 5.970 -10.025 16.142 1.00 25.23 H new ATOM 0 HB2 SER A 29 6.113 -12.855 16.576 1.00 24.92 H new ATOM 0 HB3 SER A 29 6.063 -11.800 17.723 1.00 24.92 H new ATOM 0 HG SER A 29 4.076 -12.668 17.373 1.00 26.04 H new ATOM 208 N SER A 30 8.332 -10.327 16.888 1.00 26.02 N ATOM 209 CA SER A 30 9.776 -10.251 17.042 1.00 26.65 C ATOM 210 C SER A 30 10.292 -11.590 17.554 1.00 27.47 C ATOM 211 O SER A 30 9.594 -12.295 18.283 1.00 28.29 O ATOM 212 CB SER A 30 10.132 -9.154 18.035 1.00 26.56 C ATOM 213 OG SER A 30 11.521 -9.157 18.286 1.00 27.48 O ATOM 0 H SER A 30 7.892 -9.966 17.533 1.00 26.02 H new ATOM 0 HA SER A 30 10.184 -10.047 16.186 1.00 26.65 H new ATOM 0 HB2 SER A 30 9.862 -8.291 17.685 1.00 26.56 H new ATOM 0 HB3 SER A 30 9.646 -9.288 18.864 1.00 26.56 H new ATOM 0 HG SER A 30 11.657 -9.252 19.109 1.00 27.48 H new ATOM 214 N VAL A 31 11.515 -11.947 17.188 1.00 27.48 N ATOM 215 CA VAL A 31 12.068 -13.225 17.620 1.00 26.39 C ATOM 216 C VAL A 31 13.327 -12.979 18.461 1.00 26.32 C ATOM 217 O VAL A 31 14.075 -13.893 18.798 1.00 26.43 O ATOM 218 CB VAL A 31 12.360 -14.120 16.366 1.00 25.48 C ATOM 219 CG1 VAL A 31 13.751 -13.850 15.821 1.00 22.80 C ATOM 220 CG2 VAL A 31 12.153 -15.580 16.700 1.00 25.38 C ATOM 0 H VAL A 31 12.037 -11.472 16.696 1.00 27.48 H new ATOM 0 HA VAL A 31 11.430 -13.699 18.177 1.00 26.39 H new ATOM 0 HB VAL A 31 11.731 -13.890 15.664 1.00 25.48 H new ATOM 0 HG11 VAL A 31 13.911 -14.413 15.047 1.00 22.80 H new ATOM 0 HG12 VAL A 31 13.822 -12.918 15.562 1.00 22.80 H new ATOM 0 HG13 VAL A 31 14.410 -14.046 16.505 1.00 22.80 H new ATOM 0 HG21 VAL A 31 12.337 -16.121 15.916 1.00 25.38 H new ATOM 0 HG22 VAL A 31 12.754 -15.836 17.417 1.00 25.38 H new ATOM 0 HG23 VAL A 31 11.235 -15.721 16.981 1.00 25.38 H new ATOM 221 N GLU A 32 13.525 -11.722 18.828 1.00 26.78 N ATOM 222 CA GLU A 32 14.680 -11.322 19.611 1.00 28.14 C ATOM 223 C GLU A 32 14.321 -10.110 20.467 1.00 29.26 C ATOM 224 O GLU A 32 13.466 -9.310 20.091 1.00 29.61 O ATOM 225 CB GLU A 32 15.821 -10.940 18.670 1.00 28.41 C ATOM 226 CG GLU A 32 15.472 -9.758 17.761 1.00 30.41 C ATOM 227 CD GLU A 32 16.592 -9.360 16.810 1.00 31.82 C ATOM 228 OE1 GLU A 32 16.343 -8.517 15.924 1.00 33.85 O ATOM 229 OE2 GLU A 32 17.720 -9.874 16.938 1.00 33.12 O ATOM 0 H GLU A 32 12.992 -11.077 18.629 1.00 26.78 H new ATOM 0 HA GLU A 32 14.952 -12.058 20.181 1.00 28.14 H new ATOM 0 HB2 GLU A 32 16.606 -10.718 19.194 1.00 28.41 H new ATOM 0 HB3 GLU A 32 16.053 -11.706 18.122 1.00 28.41 H new ATOM 0 HG2 GLU A 32 14.683 -9.982 17.242 1.00 30.41 H new ATOM 0 HG3 GLU A 32 15.241 -8.994 18.313 1.00 30.41 H new ATOM 230 N ASP A 33 14.970 -9.977 21.620 1.00 29.98 N ATOM 231 CA ASP A 33 14.733 -8.831 22.491 1.00 30.09 C ATOM 232 C ASP A 33 15.652 -7.739 21.980 1.00 29.88 C ATOM 233 O ASP A 33 16.877 -7.843 22.089 1.00 30.51 O ATOM 234 CB ASP A 33 15.082 -9.162 23.941 1.00 30.67 C ATOM 235 CG ASP A 33 14.166 -10.200 24.525 1.00 31.93 C ATOM 236 OD1 ASP A 33 14.342 -10.562 25.708 1.00 33.57 O ATOM 237 OD2 ASP A 33 13.263 -10.653 23.793 1.00 32.09 O ATOM 0 H ASP A 33 15.551 -10.538 21.916 1.00 29.98 H new ATOM 0 HA ASP A 33 13.800 -8.567 22.477 1.00 30.09 H new ATOM 0 HB2 ASP A 33 15.998 -9.479 23.987 1.00 30.67 H new ATOM 0 HB3 ASP A 33 15.034 -8.354 24.476 1.00 30.67 H new ATOM 238 N VAL A 34 15.066 -6.693 21.412 1.00 28.99 N ATOM 239 CA VAL A 34 15.871 -5.616 20.870 1.00 27.75 C ATOM 240 C VAL A 34 15.356 -4.247 21.286 1.00 26.64 C ATOM 241 O VAL A 34 14.241 -4.106 21.787 1.00 25.11 O ATOM 242 CB VAL A 34 15.905 -5.705 19.337 1.00 27.63 C ATOM 243 CG1 VAL A 34 14.535 -5.388 18.777 1.00 28.31 C ATOM 244 CG2 VAL A 34 16.946 -4.768 18.780 1.00 28.57 C ATOM 0 H VAL A 34 14.216 -6.590 21.332 1.00 28.99 H new ATOM 0 HA VAL A 34 16.766 -5.718 21.230 1.00 27.75 H new ATOM 0 HB VAL A 34 16.145 -6.607 19.075 1.00 27.63 H new ATOM 0 HG11 VAL A 34 14.560 -5.445 17.809 1.00 28.31 H new ATOM 0 HG12 VAL A 34 13.889 -6.024 19.122 1.00 28.31 H new ATOM 0 HG13 VAL A 34 14.277 -4.491 19.041 1.00 28.31 H new ATOM 0 HG21 VAL A 34 16.957 -4.834 17.812 1.00 28.57 H new ATOM 0 HG22 VAL A 34 16.734 -3.858 19.039 1.00 28.57 H new ATOM 0 HG23 VAL A 34 17.818 -5.008 19.130 1.00 28.57 H new ATOM 245 N VAL A 35 16.195 -3.241 21.082 1.00 26.30 N ATOM 246 CA VAL A 35 15.842 -1.873 21.410 1.00 27.09 C ATOM 247 C VAL A 35 15.903 -0.997 20.165 1.00 27.09 C ATOM 248 O VAL A 35 16.957 -0.892 19.536 1.00 27.99 O ATOM 249 CB VAL A 35 16.818 -1.263 22.427 1.00 27.36 C ATOM 250 CG1 VAL A 35 16.271 0.064 22.927 1.00 27.16 C ATOM 251 CG2 VAL A 35 17.049 -2.221 23.568 1.00 29.00 C ATOM 0 H VAL A 35 16.983 -3.334 20.750 1.00 26.30 H new ATOM 0 HA VAL A 35 14.946 -1.901 21.782 1.00 27.09 H new ATOM 0 HB VAL A 35 17.672 -1.101 21.997 1.00 27.36 H new ATOM 0 HG11 VAL A 35 16.889 0.448 23.569 1.00 27.16 H new ATOM 0 HG12 VAL A 35 16.164 0.672 22.179 1.00 27.16 H new ATOM 0 HG13 VAL A 35 15.411 -0.080 23.352 1.00 27.16 H new ATOM 0 HG21 VAL A 35 17.666 -1.825 24.203 1.00 29.00 H new ATOM 0 HG22 VAL A 35 16.206 -2.407 24.010 1.00 29.00 H new ATOM 0 HG23 VAL A 35 17.424 -3.048 23.226 1.00 29.00 H new ATOM 252 N VAL A 36 14.780 -0.383 19.800 1.00 26.31 N ATOM 253 CA VAL A 36 14.768 0.516 18.656 1.00 25.04 C ATOM 254 C VAL A 36 14.971 1.909 19.265 1.00 24.83 C ATOM 255 O VAL A 36 14.091 2.454 19.936 1.00 23.91 O ATOM 256 CB VAL A 36 13.447 0.373 17.811 1.00 24.60 C ATOM 257 CG1 VAL A 36 12.411 -0.422 18.581 1.00 23.17 C ATOM 258 CG2 VAL A 36 12.921 1.738 17.383 1.00 23.24 C ATOM 0 H VAL A 36 14.023 -0.474 20.198 1.00 26.31 H new ATOM 0 HA VAL A 36 15.465 0.317 18.011 1.00 25.04 H new ATOM 0 HB VAL A 36 13.649 -0.118 16.999 1.00 24.60 H new ATOM 0 HG11 VAL A 36 11.604 -0.502 18.049 1.00 23.17 H new ATOM 0 HG12 VAL A 36 12.759 -1.306 18.774 1.00 23.17 H new ATOM 0 HG13 VAL A 36 12.206 0.033 19.413 1.00 23.17 H new ATOM 0 HG21 VAL A 36 12.109 1.624 16.865 1.00 23.24 H new ATOM 0 HG22 VAL A 36 12.730 2.273 18.170 1.00 23.24 H new ATOM 0 HG23 VAL A 36 13.589 2.187 16.842 1.00 23.24 H new ATOM 259 N PRO A 37 16.179 2.472 19.066 1.00 25.61 N ATOM 260 CA PRO A 37 16.731 3.763 19.501 1.00 25.93 C ATOM 261 C PRO A 37 15.889 4.983 19.223 1.00 26.25 C ATOM 262 O PRO A 37 15.191 5.043 18.220 1.00 26.56 O ATOM 263 CB PRO A 37 18.056 3.844 18.753 1.00 25.83 C ATOM 264 CG PRO A 37 18.441 2.412 18.584 1.00 26.84 C ATOM 265 CD PRO A 37 17.135 1.800 18.166 1.00 25.99 C ATOM 0 HA PRO A 37 16.795 3.779 20.469 1.00 25.93 H new ATOM 0 HB2 PRO A 37 17.958 4.292 17.898 1.00 25.83 H new ATOM 0 HB3 PRO A 37 18.722 4.337 19.257 1.00 25.83 H new ATOM 0 HG2 PRO A 37 19.131 2.296 17.912 1.00 26.84 H new ATOM 0 HG3 PRO A 37 18.779 2.025 19.407 1.00 26.84 H new ATOM 0 HD2 PRO A 37 16.936 1.971 17.232 1.00 25.99 H new ATOM 0 HD3 PRO A 37 17.131 0.837 18.285 1.00 25.99 H new ATOM 266 N ALA A 38 15.973 5.966 20.111 1.00 26.88 N ATOM 267 CA ALA A 38 15.226 7.203 19.929 1.00 26.61 C ATOM 268 C ALA A 38 15.722 7.803 18.621 1.00 26.20 C ATOM 269 O ALA A 38 16.918 7.738 18.321 1.00 26.92 O ATOM 270 CB ALA A 38 15.493 8.151 21.078 1.00 26.36 C ATOM 0 H ALA A 38 16.455 5.937 20.823 1.00 26.88 H new ATOM 0 HA ALA A 38 14.270 7.042 19.906 1.00 26.61 H new ATOM 0 HB1 ALA A 38 14.991 8.970 20.945 1.00 26.36 H new ATOM 0 HB2 ALA A 38 15.219 7.736 21.911 1.00 26.36 H new ATOM 0 HB3 ALA A 38 16.440 8.356 21.115 1.00 26.36 H new ATOM 271 N MET A 39 14.801 8.367 17.843 1.00 24.29 N ATOM 272 CA MET A 39 15.121 8.971 16.553 1.00 22.22 C ATOM 273 C MET A 39 15.995 8.054 15.701 1.00 21.18 C ATOM 274 O MET A 39 16.663 8.502 14.758 1.00 21.77 O ATOM 275 CB MET A 39 15.822 10.311 16.759 1.00 21.82 C ATOM 276 CG MET A 39 15.067 11.259 17.663 1.00 22.43 C ATOM 277 SD MET A 39 13.383 11.582 17.121 1.00 23.18 S ATOM 278 CE MET A 39 13.663 12.778 15.788 1.00 22.75 C ATOM 0 H MET A 39 13.968 8.410 18.051 1.00 24.29 H new ATOM 0 HA MET A 39 14.286 9.111 16.080 1.00 22.22 H new ATOM 0 HB2 MET A 39 16.703 10.152 17.133 1.00 21.82 H new ATOM 0 HB3 MET A 39 15.953 10.735 15.896 1.00 21.82 H new ATOM 0 HG2 MET A 39 15.045 10.890 18.560 1.00 22.43 H new ATOM 0 HG3 MET A 39 15.549 12.099 17.713 1.00 22.43 H new ATOM 0 HE1 MET A 39 12.812 13.039 15.403 1.00 22.75 H new ATOM 0 HE2 MET A 39 14.110 13.562 16.145 1.00 22.75 H new ATOM 0 HE3 MET A 39 14.218 12.374 15.102 1.00 22.75 H new ATOM 279 N GLY A 40 15.973 6.767 16.031 1.00 19.08 N ATOM 280 CA GLY A 40 16.771 5.805 15.300 1.00 18.31 C ATOM 281 C GLY A 40 15.963 4.662 14.727 1.00 17.74 C ATOM 282 O GLY A 40 14.761 4.542 14.958 1.00 17.97 O ATOM 0 H GLY A 40 15.504 6.436 16.672 1.00 19.08 H new ATOM 0 HA2 GLY A 40 17.232 6.260 14.578 1.00 18.31 H new ATOM 0 HA3 GLY A 40 17.453 5.446 15.890 1.00 18.31 H new ATOM 283 N ARG A 41 16.636 3.810 13.969 1.00 18.14 N ATOM 284 CA ARG A 41 15.980 2.673 13.354 1.00 18.13 C ATOM 285 C ARG A 41 16.722 1.397 13.684 1.00 18.44 C ATOM 286 O ARG A 41 17.894 1.424 14.065 1.00 18.81 O ATOM 287 CB ARG A 41 15.935 2.853 11.845 1.00 18.54 C ATOM 288 CG ARG A 41 17.287 2.963 11.209 1.00 17.87 C ATOM 289 CD ARG A 41 17.147 2.935 9.707 1.00 19.50 C ATOM 290 NE ARG A 41 18.433 2.746 9.045 1.00 20.27 N ATOM 291 CZ ARG A 41 19.457 3.582 9.159 1.00 18.80 C ATOM 292 NH1 ARG A 41 20.588 3.327 8.525 1.00 18.51 N ATOM 293 NH2 ARG A 41 19.344 4.672 9.902 1.00 19.33 N ATOM 0 H ARG A 41 17.477 3.874 13.799 1.00 18.14 H new ATOM 0 HA ARG A 41 15.076 2.614 13.700 1.00 18.13 H new ATOM 0 HB2 ARG A 41 15.462 2.103 11.452 1.00 18.54 H new ATOM 0 HB3 ARG A 41 15.423 3.651 11.638 1.00 18.54 H new ATOM 0 HG2 ARG A 41 17.719 3.786 11.487 1.00 17.87 H new ATOM 0 HG3 ARG A 41 17.853 2.232 11.503 1.00 17.87 H new ATOM 0 HD2 ARG A 41 16.544 2.219 9.452 1.00 19.50 H new ATOM 0 HD3 ARG A 41 16.746 3.765 9.404 1.00 19.50 H new ATOM 0 HE ARG A 41 18.534 2.050 8.550 1.00 20.27 H new ATOM 0 HH11 ARG A 41 20.659 2.620 8.040 1.00 18.51 H new ATOM 0 HH12 ARG A 41 21.253 3.868 8.598 1.00 18.51 H new ATOM 0 HH21 ARG A 41 18.606 4.839 10.311 1.00 19.33 H new ATOM 0 HH22 ARG A 41 20.008 5.213 9.975 1.00 19.33 H new ATOM 294 N ILE A 42 16.031 0.274 13.539 1.00 18.72 N ATOM 295 CA ILE A 42 16.634 -1.009 13.820 1.00 18.93 C ATOM 296 C ILE A 42 16.006 -2.050 12.918 1.00 19.10 C ATOM 297 O ILE A 42 14.927 -1.842 12.372 1.00 17.95 O ATOM 298 CB ILE A 42 16.427 -1.411 15.289 1.00 20.26 C ATOM 299 CG1 ILE A 42 17.537 -2.368 15.715 1.00 21.12 C ATOM 300 CG2 ILE A 42 15.065 -2.091 15.473 1.00 21.21 C ATOM 301 CD1 ILE A 42 18.907 -1.781 15.570 1.00 21.96 C ATOM 0 H ILE A 42 15.212 0.238 13.279 1.00 18.72 H new ATOM 0 HA ILE A 42 17.588 -0.948 13.657 1.00 18.93 H new ATOM 0 HB ILE A 42 16.453 -0.612 15.839 1.00 20.26 H new ATOM 0 HG12 ILE A 42 17.398 -2.625 16.640 1.00 21.12 H new ATOM 0 HG13 ILE A 42 17.480 -3.178 15.184 1.00 21.12 H new ATOM 0 HG21 ILE A 42 14.950 -2.338 16.404 1.00 21.21 H new ATOM 0 HG22 ILE A 42 14.359 -1.479 15.212 1.00 21.21 H new ATOM 0 HG23 ILE A 42 15.023 -2.887 14.920 1.00 21.21 H new ATOM 0 HD11 ILE A 42 19.569 -2.430 15.854 1.00 21.96 H new ATOM 0 HD12 ILE A 42 19.062 -1.546 14.642 1.00 21.96 H new ATOM 0 HD13 ILE A 42 18.978 -0.985 16.120 1.00 21.96 H new ATOM 302 N ALA A 43 16.694 -3.169 12.756 1.00 20.17 N ATOM 303 CA ALA A 43 16.187 -4.233 11.915 1.00 21.28 C ATOM 304 C ALA A 43 15.852 -5.419 12.797 1.00 22.64 C ATOM 305 O ALA A 43 16.736 -6.194 13.174 1.00 24.22 O ATOM 306 CB ALA A 43 17.230 -4.619 10.885 1.00 21.42 C ATOM 0 H ALA A 43 17.454 -3.330 13.124 1.00 20.17 H new ATOM 0 HA ALA A 43 15.391 -3.939 11.444 1.00 21.28 H new ATOM 0 HB1 ALA A 43 16.884 -5.332 10.325 1.00 21.42 H new ATOM 0 HB2 ALA A 43 17.441 -3.849 10.334 1.00 21.42 H new ATOM 0 HB3 ALA A 43 18.033 -4.923 11.336 1.00 21.42 H new ATOM 307 N VAL A 44 14.576 -5.554 13.139 1.00 22.65 N ATOM 308 CA VAL A 44 14.138 -6.658 13.977 1.00 22.98 C ATOM 309 C VAL A 44 14.046 -7.918 13.105 1.00 24.56 C ATOM 310 O VAL A 44 13.652 -7.840 11.947 1.00 25.52 O ATOM 311 CB VAL A 44 12.763 -6.339 14.601 1.00 22.06 C ATOM 312 CG1 VAL A 44 12.500 -7.236 15.785 1.00 21.34 C ATOM 313 CG2 VAL A 44 12.719 -4.890 15.031 1.00 23.18 C ATOM 0 H VAL A 44 13.950 -5.017 12.896 1.00 22.65 H new ATOM 0 HA VAL A 44 14.771 -6.800 14.698 1.00 22.98 H new ATOM 0 HB VAL A 44 12.075 -6.496 13.936 1.00 22.06 H new ATOM 0 HG11 VAL A 44 11.633 -7.024 16.166 1.00 21.34 H new ATOM 0 HG12 VAL A 44 12.508 -8.162 15.498 1.00 21.34 H new ATOM 0 HG13 VAL A 44 13.189 -7.099 16.454 1.00 21.34 H new ATOM 0 HG21 VAL A 44 11.853 -4.695 15.422 1.00 23.18 H new ATOM 0 HG22 VAL A 44 13.414 -4.726 15.687 1.00 23.18 H new ATOM 0 HG23 VAL A 44 12.861 -4.319 14.260 1.00 23.18 H new ATOM 314 N SER A 45 14.426 -9.073 13.646 1.00 26.29 N ATOM 315 CA SER A 45 14.363 -10.334 12.895 1.00 27.37 C ATOM 316 C SER A 45 13.081 -11.092 13.229 1.00 27.58 C ATOM 317 O SER A 45 12.753 -11.266 14.401 1.00 27.54 O ATOM 318 CB SER A 45 15.570 -11.215 13.237 1.00 27.74 C ATOM 319 OG SER A 45 16.786 -10.496 13.096 1.00 29.50 O ATOM 0 H SER A 45 14.725 -9.152 14.449 1.00 26.29 H new ATOM 0 HA SER A 45 14.373 -10.123 11.948 1.00 27.37 H new ATOM 0 HB2 SER A 45 15.488 -11.542 14.147 1.00 27.74 H new ATOM 0 HB3 SER A 45 15.581 -11.992 12.657 1.00 27.74 H new ATOM 0 HG SER A 45 17.432 -10.997 13.289 1.00 29.50 H new ATOM 320 N THR A 46 12.354 -11.542 12.210 1.00 28.83 N ATOM 321 CA THR A 46 11.109 -12.284 12.445 1.00 30.97 C ATOM 322 C THR A 46 11.390 -13.773 12.640 1.00 31.95 C ATOM 323 O THR A 46 10.645 -14.487 13.323 1.00 32.09 O ATOM 324 CB THR A 46 10.113 -12.155 11.268 1.00 30.52 C ATOM 325 OG1 THR A 46 10.675 -12.763 10.101 1.00 32.29 O ATOM 326 CG2 THR A 46 9.796 -10.699 10.985 1.00 30.29 C ATOM 0 H THR A 46 12.558 -11.432 11.382 1.00 28.83 H new ATOM 0 HA THR A 46 10.718 -11.896 13.243 1.00 30.97 H new ATOM 0 HB THR A 46 9.288 -12.605 11.509 1.00 30.52 H new ATOM 0 HG1 THR A 46 11.239 -12.243 9.758 1.00 32.29 H new ATOM 0 HG21 THR A 46 9.171 -10.642 10.245 1.00 30.29 H new ATOM 0 HG22 THR A 46 9.401 -10.294 11.773 1.00 30.29 H new ATOM 0 HG23 THR A 46 10.613 -10.229 10.755 1.00 30.29 H new ATOM 327 N GLY A 47 12.467 -14.240 12.024 1.00 32.77 N ATOM 328 CA GLY A 47 12.828 -15.637 12.150 1.00 33.41 C ATOM 329 C GLY A 47 12.103 -16.514 11.157 1.00 33.32 C ATOM 330 O GLY A 47 12.274 -17.729 11.171 1.00 34.19 O ATOM 0 H GLY A 47 12.995 -13.769 11.535 1.00 32.77 H new ATOM 0 HA2 GLY A 47 13.785 -15.733 12.024 1.00 33.41 H new ATOM 0 HA3 GLY A 47 12.629 -15.939 13.050 1.00 33.41 H new ATOM 331 N ILE A 48 11.295 -15.908 10.293 1.00 32.97 N ATOM 332 CA ILE A 48 10.558 -16.671 9.296 1.00 32.69 C ATOM 333 C ILE A 48 10.850 -16.219 7.866 1.00 34.04 C ATOM 334 O ILE A 48 11.460 -15.171 7.635 1.00 34.68 O ATOM 335 CB ILE A 48 9.034 -16.581 9.526 1.00 31.39 C ATOM 336 CG1 ILE A 48 8.555 -15.136 9.327 1.00 29.02 C ATOM 337 CG2 ILE A 48 8.700 -17.098 10.916 1.00 30.28 C ATOM 338 CD1 ILE A 48 7.053 -14.993 9.229 1.00 26.74 C ATOM 0 H ILE A 48 11.161 -15.059 10.268 1.00 32.97 H new ATOM 0 HA ILE A 48 10.860 -17.587 9.402 1.00 32.69 H new ATOM 0 HB ILE A 48 8.570 -17.134 8.878 1.00 31.39 H new ATOM 0 HG12 ILE A 48 8.874 -14.595 10.066 1.00 29.02 H new ATOM 0 HG13 ILE A 48 8.958 -14.780 8.520 1.00 29.02 H new ATOM 0 HG21 ILE A 48 7.743 -17.042 11.061 1.00 30.28 H new ATOM 0 HG22 ILE A 48 8.985 -18.022 10.995 1.00 30.28 H new ATOM 0 HG23 ILE A 48 9.159 -16.561 11.580 1.00 30.28 H new ATOM 0 HD11 ILE A 48 6.824 -14.059 9.105 1.00 26.74 H new ATOM 0 HD12 ILE A 48 6.727 -15.508 8.475 1.00 26.74 H new ATOM 0 HD13 ILE A 48 6.643 -15.320 10.045 1.00 26.74 H new ATOM 339 N SER A 49 10.416 -17.035 6.912 1.00 34.43 N ATOM 340 CA SER A 49 10.584 -16.752 5.496 1.00 35.45 C ATOM 341 C SER A 49 9.245 -17.100 4.866 1.00 36.04 C ATOM 342 O SER A 49 8.696 -18.164 5.151 1.00 36.55 O ATOM 343 CB SER A 49 11.678 -17.627 4.906 1.00 35.66 C ATOM 344 OG SER A 49 11.728 -17.459 3.503 1.00 38.41 O ATOM 0 H SER A 49 10.011 -17.777 7.073 1.00 34.43 H new ATOM 0 HA SER A 49 10.839 -15.830 5.338 1.00 35.45 H new ATOM 0 HB2 SER A 49 12.535 -17.395 5.298 1.00 35.66 H new ATOM 0 HB3 SER A 49 11.510 -18.558 5.122 1.00 35.66 H new ATOM 0 HG SER A 49 12.167 -16.767 3.319 1.00 38.41 H new ATOM 345 N ILE A 50 8.710 -16.221 4.021 1.00 36.23 N ATOM 346 CA ILE A 50 7.404 -16.491 3.427 1.00 36.52 C ATOM 347 C ILE A 50 7.314 -16.309 1.921 1.00 37.26 C ATOM 348 O ILE A 50 8.156 -15.653 1.315 1.00 38.05 O ATOM 349 CB ILE A 50 6.296 -15.605 4.080 1.00 35.94 C ATOM 350 CG1 ILE A 50 6.254 -14.208 3.441 1.00 34.77 C ATOM 351 CG2 ILE A 50 6.547 -15.480 5.576 1.00 36.25 C ATOM 352 CD1 ILE A 50 7.400 -13.312 3.792 1.00 33.90 C ATOM 0 H ILE A 50 9.076 -15.480 3.783 1.00 36.23 H new ATOM 0 HA ILE A 50 7.268 -17.434 3.607 1.00 36.52 H new ATOM 0 HB ILE A 50 5.439 -16.034 3.929 1.00 35.94 H new ATOM 0 HG12 ILE A 50 6.225 -14.310 2.477 1.00 34.77 H new ATOM 0 HG13 ILE A 50 5.429 -13.772 3.705 1.00 34.77 H new ATOM 0 HG21 ILE A 50 5.856 -14.929 5.975 1.00 36.25 H new ATOM 0 HG22 ILE A 50 6.532 -16.361 5.982 1.00 36.25 H new ATOM 0 HG23 ILE A 50 7.413 -15.070 5.726 1.00 36.25 H new ATOM 0 HD11 ILE A 50 7.291 -12.457 3.347 1.00 33.90 H new ATOM 0 HD12 ILE A 50 7.422 -13.176 4.752 1.00 33.90 H new ATOM 0 HD13 ILE A 50 8.231 -13.722 3.505 1.00 33.90 H new ATOM 353 N ARG A 51 6.293 -16.921 1.323 1.00 38.06 N ATOM 354 CA ARG A 51 6.048 -16.782 -0.106 1.00 39.28 C ATOM 355 C ARG A 51 4.633 -16.263 -0.295 1.00 38.67 C ATOM 356 O ARG A 51 3.665 -17.019 -0.232 1.00 38.57 O ATOM 357 CB ARG A 51 6.171 -18.107 -0.863 1.00 41.64 C ATOM 358 CG ARG A 51 5.825 -17.907 -2.347 1.00 45.41 C ATOM 359 CD ARG A 51 5.559 -19.182 -3.144 1.00 47.24 C ATOM 360 NE ARG A 51 4.945 -18.852 -4.436 1.00 49.95 N ATOM 361 CZ ARG A 51 3.648 -18.586 -4.612 1.00 50.78 C ATOM 362 NH1 ARG A 51 3.187 -18.283 -5.823 1.00 50.02 N ATOM 363 NH2 ARG A 51 2.805 -18.649 -3.584 1.00 51.76 N ATOM 0 H ARG A 51 5.728 -17.424 1.733 1.00 38.06 H new ATOM 0 HA ARG A 51 6.717 -16.176 -0.461 1.00 39.28 H new ATOM 0 HB2 ARG A 51 7.073 -18.452 -0.778 1.00 41.64 H new ATOM 0 HB3 ARG A 51 5.577 -18.767 -0.472 1.00 41.64 H new ATOM 0 HG2 ARG A 51 5.040 -17.340 -2.405 1.00 45.41 H new ATOM 0 HG3 ARG A 51 6.554 -17.427 -2.770 1.00 45.41 H new ATOM 0 HD2 ARG A 51 6.390 -19.662 -3.286 1.00 47.24 H new ATOM 0 HD3 ARG A 51 4.974 -19.770 -2.641 1.00 47.24 H new ATOM 0 HE ARG A 51 5.456 -18.828 -5.127 1.00 49.95 H new ATOM 0 HH11 ARG A 51 3.724 -18.258 -6.494 1.00 50.02 H new ATOM 0 HH12 ARG A 51 2.352 -18.112 -5.935 1.00 50.02 H new ATOM 0 HH21 ARG A 51 3.095 -18.862 -2.803 1.00 51.76 H new ATOM 0 HH22 ARG A 51 1.971 -18.477 -3.701 1.00 51.76 H new ATOM 364 N VAL A 52 4.513 -14.968 -0.524 1.00 38.13 N ATOM 365 CA VAL A 52 3.208 -14.370 -0.724 1.00 38.08 C ATOM 366 C VAL A 52 2.504 -15.086 -1.875 1.00 38.31 C ATOM 367 O VAL A 52 3.155 -15.680 -2.727 1.00 38.61 O ATOM 368 CB VAL A 52 3.361 -12.875 -1.064 1.00 37.65 C ATOM 369 CG1 VAL A 52 2.002 -12.232 -1.234 1.00 37.76 C ATOM 370 CG2 VAL A 52 4.142 -12.177 0.037 1.00 37.38 C ATOM 0 H VAL A 52 5.173 -14.419 -0.568 1.00 38.13 H new ATOM 0 HA VAL A 52 2.685 -14.456 0.088 1.00 38.08 H new ATOM 0 HB VAL A 52 3.846 -12.789 -1.900 1.00 37.65 H new ATOM 0 HG11 VAL A 52 2.113 -11.292 -1.447 1.00 37.76 H new ATOM 0 HG12 VAL A 52 1.523 -12.672 -1.954 1.00 37.76 H new ATOM 0 HG13 VAL A 52 1.497 -12.319 -0.410 1.00 37.76 H new ATOM 0 HG21 VAL A 52 4.237 -11.236 -0.180 1.00 37.38 H new ATOM 0 HG22 VAL A 52 3.668 -12.268 0.878 1.00 37.38 H new ATOM 0 HG23 VAL A 52 5.021 -12.580 0.116 1.00 37.38 H new ATOM 371 N PRO A 53 1.161 -15.078 -1.892 1.00 39.10 N ATOM 372 CA PRO A 53 0.462 -15.746 -2.991 1.00 40.01 C ATOM 373 C PRO A 53 0.876 -15.098 -4.303 1.00 40.77 C ATOM 374 O PRO A 53 1.544 -14.062 -4.307 1.00 41.61 O ATOM 375 CB PRO A 53 -1.005 -15.489 -2.671 1.00 40.04 C ATOM 376 CG PRO A 53 -1.018 -15.525 -1.194 1.00 40.44 C ATOM 377 CD PRO A 53 0.217 -14.731 -0.816 1.00 39.89 C ATOM 0 HA PRO A 53 0.654 -16.693 -3.079 1.00 40.01 H new ATOM 0 HB2 PRO A 53 -1.305 -14.633 -3.014 1.00 40.04 H new ATOM 0 HB3 PRO A 53 -1.583 -16.167 -3.054 1.00 40.04 H new ATOM 0 HG2 PRO A 53 -1.825 -15.126 -0.833 1.00 40.44 H new ATOM 0 HG3 PRO A 53 -0.976 -16.434 -0.858 1.00 40.44 H new ATOM 0 HD2 PRO A 53 0.038 -13.778 -0.786 1.00 39.89 H new ATOM 0 HD3 PRO A 53 0.556 -14.984 0.057 1.00 39.89 H new ATOM 378 N ASP A 54 0.474 -15.698 -5.416 1.00 41.11 N ATOM 379 CA ASP A 54 0.831 -15.156 -6.714 1.00 40.65 C ATOM 380 C ASP A 54 0.040 -13.888 -7.045 1.00 39.14 C ATOM 381 O ASP A 54 -1.079 -13.707 -6.567 1.00 38.40 O ATOM 382 CB ASP A 54 0.622 -16.216 -7.790 1.00 42.14 C ATOM 383 CG ASP A 54 1.004 -15.721 -9.159 1.00 44.25 C ATOM 384 OD1 ASP A 54 2.107 -15.135 -9.292 1.00 45.26 O ATOM 385 OD2 ASP A 54 0.203 -15.918 -10.099 1.00 45.83 O ATOM 0 H ASP A 54 -0.002 -16.414 -5.440 1.00 41.11 H new ATOM 0 HA ASP A 54 1.768 -14.906 -6.685 1.00 40.65 H new ATOM 0 HB2 ASP A 54 1.148 -17.002 -7.574 1.00 42.14 H new ATOM 0 HB3 ASP A 54 -0.308 -16.490 -7.795 1.00 42.14 H new ATOM 386 N GLY A 55 0.641 -13.012 -7.854 1.00 37.98 N ATOM 387 CA GLY A 55 0.000 -11.761 -8.242 1.00 35.42 C ATOM 388 C GLY A 55 -0.352 -10.876 -7.058 1.00 33.71 C ATOM 389 O GLY A 55 -1.401 -10.235 -7.038 1.00 33.42 O ATOM 0 H GLY A 55 1.425 -13.128 -8.189 1.00 37.98 H new ATOM 0 HA2 GLY A 55 0.590 -11.274 -8.838 1.00 35.42 H new ATOM 0 HA3 GLY A 55 -0.808 -11.960 -8.741 1.00 35.42 H new ATOM 390 N THR A 56 0.539 -10.819 -6.074 1.00 32.18 N ATOM 391 CA THR A 56 0.292 -10.038 -4.868 1.00 29.90 C ATOM 392 C THR A 56 1.558 -10.035 -4.015 1.00 27.47 C ATOM 393 O THR A 56 2.084 -11.100 -3.712 1.00 28.41 O ATOM 394 CB THR A 56 -0.885 -10.682 -4.048 1.00 29.93 C ATOM 395 OG1 THR A 56 -1.465 -9.704 -3.185 1.00 33.59 O ATOM 396 CG2 THR A 56 -0.403 -11.848 -3.189 1.00 26.34 C ATOM 0 H THR A 56 1.296 -11.227 -6.086 1.00 32.18 H new ATOM 0 HA THR A 56 0.051 -9.130 -5.111 1.00 29.90 H new ATOM 0 HB THR A 56 -1.537 -11.010 -4.688 1.00 29.93 H new ATOM 0 HG1 THR A 56 -2.094 -10.052 -2.750 1.00 33.59 H new ATOM 0 HG21 THR A 56 -1.152 -12.220 -2.698 1.00 26.34 H new ATOM 0 HG22 THR A 56 -0.018 -12.532 -3.759 1.00 26.34 H new ATOM 0 HG23 THR A 56 0.268 -11.533 -2.563 1.00 26.34 H new ATOM 397 N TYR A 57 2.065 -8.863 -3.642 1.00 23.98 N ATOM 398 CA TYR A 57 3.257 -8.836 -2.795 1.00 21.87 C ATOM 399 C TYR A 57 2.873 -8.657 -1.330 1.00 19.19 C ATOM 400 O TYR A 57 1.699 -8.501 -1.006 1.00 17.70 O ATOM 401 CB TYR A 57 4.227 -7.722 -3.205 1.00 23.29 C ATOM 402 CG TYR A 57 3.931 -6.360 -2.605 1.00 23.97 C ATOM 403 CD1 TYR A 57 2.776 -5.652 -2.960 1.00 23.56 C ATOM 404 CD2 TYR A 57 4.803 -5.777 -1.683 1.00 23.35 C ATOM 405 CE1 TYR A 57 2.498 -4.410 -2.415 1.00 21.55 C ATOM 406 CE2 TYR A 57 4.527 -4.524 -1.134 1.00 22.29 C ATOM 407 CZ TYR A 57 3.373 -3.854 -1.507 1.00 21.04 C ATOM 408 OH TYR A 57 3.081 -2.632 -0.971 1.00 20.44 O ATOM 0 H TYR A 57 1.747 -8.094 -3.859 1.00 23.98 H new ATOM 0 HA TYR A 57 3.705 -9.688 -2.913 1.00 21.87 H new ATOM 0 HB2 TYR A 57 5.125 -7.984 -2.950 1.00 23.29 H new ATOM 0 HB3 TYR A 57 4.218 -7.643 -4.172 1.00 23.29 H new ATOM 0 HD1 TYR A 57 2.184 -6.023 -3.574 1.00 23.56 H new ATOM 0 HD2 TYR A 57 5.576 -6.229 -1.432 1.00 23.35 H new ATOM 0 HE1 TYR A 57 1.726 -3.954 -2.660 1.00 21.55 H new ATOM 0 HE2 TYR A 57 5.114 -4.141 -0.522 1.00 22.29 H new ATOM 0 HH TYR A 57 3.689 -2.408 -0.436 1.00 20.44 H new ATOM 409 N GLY A 58 3.870 -8.686 -0.453 1.00 17.70 N ATOM 410 CA GLY A 58 3.616 -8.535 0.968 1.00 16.47 C ATOM 411 C GLY A 58 4.196 -7.239 1.500 1.00 15.80 C ATOM 412 O GLY A 58 5.392 -6.967 1.365 1.00 15.87 O ATOM 0 H GLY A 58 4.697 -8.792 -0.662 1.00 17.70 H new ATOM 0 HA2 GLY A 58 2.660 -8.554 1.131 1.00 16.47 H new ATOM 0 HA3 GLY A 58 4.001 -9.285 1.448 1.00 16.47 H new ATOM 413 N ARG A 59 3.340 -6.432 2.111 1.00 14.82 N ATOM 414 CA ARG A 59 3.762 -5.151 2.655 1.00 13.91 C ATOM 415 C ARG A 59 3.774 -5.182 4.169 1.00 13.35 C ATOM 416 O ARG A 59 2.751 -5.466 4.791 1.00 11.70 O ATOM 417 CB ARG A 59 2.811 -4.040 2.181 1.00 14.72 C ATOM 418 CG ARG A 59 3.139 -2.646 2.708 1.00 15.04 C ATOM 419 CD ARG A 59 1.907 -1.775 2.723 1.00 14.47 C ATOM 420 NE ARG A 59 1.953 -0.791 3.800 1.00 16.12 N ATOM 421 CZ ARG A 59 0.871 -0.263 4.372 1.00 18.48 C ATOM 422 NH1 ARG A 59 0.980 0.634 5.349 1.00 19.75 N ATOM 423 NH2 ARG A 59 -0.333 -0.640 3.971 1.00 20.80 N ATOM 0 H ARG A 59 2.506 -6.609 2.221 1.00 14.82 H new ATOM 0 HA ARG A 59 4.661 -4.973 2.338 1.00 13.91 H new ATOM 0 HB2 ARG A 59 2.821 -4.016 1.211 1.00 14.72 H new ATOM 0 HB3 ARG A 59 1.908 -4.269 2.450 1.00 14.72 H new ATOM 0 HG2 ARG A 59 3.504 -2.712 3.604 1.00 15.04 H new ATOM 0 HG3 ARG A 59 3.822 -2.238 2.153 1.00 15.04 H new ATOM 0 HD2 ARG A 59 1.823 -1.319 1.871 1.00 14.47 H new ATOM 0 HD3 ARG A 59 1.119 -2.331 2.826 1.00 14.47 H new ATOM 0 HE ARG A 59 2.724 -0.537 4.082 1.00 16.12 H new ATOM 0 HH11 ARG A 59 1.758 0.882 5.621 1.00 19.75 H new ATOM 0 HH12 ARG A 59 0.273 0.966 5.709 1.00 19.75 H new ATOM 0 HH21 ARG A 59 -0.414 -1.223 3.344 1.00 20.80 H new ATOM 0 HH22 ARG A 59 -1.034 -0.302 4.337 1.00 20.80 H new ATOM 424 N ILE A 60 4.934 -4.911 4.759 1.00 13.23 N ATOM 425 CA ILE A 60 5.042 -4.857 6.215 1.00 12.61 C ATOM 426 C ILE A 60 4.456 -3.480 6.606 1.00 12.74 C ATOM 427 O ILE A 60 5.098 -2.443 6.399 1.00 12.89 O ATOM 428 CB ILE A 60 6.515 -4.901 6.700 1.00 9.44 C ATOM 429 CG1 ILE A 60 7.254 -6.126 6.147 1.00 10.83 C ATOM 430 CG2 ILE A 60 6.543 -4.897 8.198 1.00 8.98 C ATOM 431 CD1 ILE A 60 6.806 -7.463 6.697 1.00 10.09 C ATOM 0 H ILE A 60 5.668 -4.756 4.338 1.00 13.23 H new ATOM 0 HA ILE A 60 4.585 -5.615 6.611 1.00 12.61 H new ATOM 0 HB ILE A 60 6.975 -4.115 6.366 1.00 9.44 H new ATOM 0 HG12 ILE A 60 7.149 -6.139 5.183 1.00 10.83 H new ATOM 0 HG13 ILE A 60 8.201 -6.021 6.327 1.00 10.83 H new ATOM 0 HG21 ILE A 60 7.463 -4.924 8.505 1.00 8.98 H new ATOM 0 HG22 ILE A 60 6.117 -4.091 8.528 1.00 8.98 H new ATOM 0 HG23 ILE A 60 6.068 -5.673 8.533 1.00 8.98 H new ATOM 0 HD11 ILE A 60 7.328 -8.172 6.290 1.00 10.09 H new ATOM 0 HD12 ILE A 60 6.936 -7.478 7.658 1.00 10.09 H new ATOM 0 HD13 ILE A 60 5.867 -7.598 6.496 1.00 10.09 H new ATOM 432 N ALA A 61 3.238 -3.474 7.146 1.00 13.21 N ATOM 433 CA ALA A 61 2.576 -2.239 7.544 1.00 14.09 C ATOM 434 C ALA A 61 2.684 -2.038 9.050 1.00 15.29 C ATOM 435 O ALA A 61 2.805 -3.006 9.803 1.00 16.20 O ATOM 436 CB ALA A 61 1.118 -2.279 7.124 1.00 13.01 C ATOM 0 H ALA A 61 2.776 -4.185 7.290 1.00 13.21 H new ATOM 0 HA ALA A 61 3.013 -1.494 7.103 1.00 14.09 H new ATOM 0 HB1 ALA A 61 0.681 -1.455 7.391 1.00 13.01 H new ATOM 0 HB2 ALA A 61 1.061 -2.377 6.161 1.00 13.01 H new ATOM 0 HB3 ALA A 61 0.678 -3.031 7.552 1.00 13.01 H new ATOM 437 N PRO A 62 2.641 -0.775 9.514 1.00 16.39 N ATOM 438 CA PRO A 62 2.737 -0.478 10.947 1.00 17.53 C ATOM 439 C PRO A 62 1.469 -0.835 11.733 1.00 19.34 C ATOM 440 O PRO A 62 0.376 -0.912 11.165 1.00 20.47 O ATOM 441 CB PRO A 62 3.021 1.016 10.953 1.00 14.82 C ATOM 442 CG PRO A 62 2.242 1.475 9.806 1.00 15.11 C ATOM 443 CD PRO A 62 2.569 0.471 8.739 1.00 14.42 C ATOM 0 HA PRO A 62 3.418 -1.006 11.392 1.00 17.53 H new ATOM 0 HB2 PRO A 62 2.735 1.437 11.779 1.00 14.82 H new ATOM 0 HB3 PRO A 62 3.966 1.207 10.850 1.00 14.82 H new ATOM 0 HG2 PRO A 62 1.292 1.492 10.002 1.00 15.11 H new ATOM 0 HG3 PRO A 62 2.492 2.374 9.540 1.00 15.11 H new ATOM 0 HD2 PRO A 62 1.885 0.434 8.052 1.00 14.42 H new ATOM 0 HD3 PRO A 62 3.407 0.672 8.294 1.00 14.42 H new ATOM 444 N ARG A 63 1.614 -1.050 13.039 1.00 21.53 N ATOM 445 CA ARG A 63 0.467 -1.385 13.891 1.00 23.60 C ATOM 446 C ARG A 63 -0.102 -0.126 14.522 1.00 22.82 C ATOM 447 O ARG A 63 0.646 0.690 15.057 1.00 23.64 O ATOM 448 CB ARG A 63 0.878 -2.358 14.998 1.00 26.77 C ATOM 449 CG ARG A 63 1.491 -3.628 14.476 1.00 31.44 C ATOM 450 CD ARG A 63 1.818 -4.565 15.598 1.00 37.16 C ATOM 451 NE ARG A 63 0.623 -5.033 16.298 1.00 42.82 N ATOM 452 CZ ARG A 63 -0.369 -5.712 15.724 1.00 45.14 C ATOM 453 NH1 ARG A 63 -0.321 -6.000 14.427 1.00 45.57 N ATOM 454 NH2 ARG A 63 -1.395 -6.133 16.459 1.00 45.78 N ATOM 0 H ARG A 63 2.366 -1.007 13.454 1.00 21.53 H new ATOM 0 HA ARG A 63 -0.207 -1.805 13.334 1.00 23.60 H new ATOM 0 HB2 ARG A 63 1.511 -1.919 15.587 1.00 26.77 H new ATOM 0 HB3 ARG A 63 0.099 -2.578 15.532 1.00 26.77 H new ATOM 0 HG2 ARG A 63 0.878 -4.058 13.859 1.00 31.44 H new ATOM 0 HG3 ARG A 63 2.297 -3.421 13.977 1.00 31.44 H new ATOM 0 HD2 ARG A 63 2.304 -5.328 15.248 1.00 37.16 H new ATOM 0 HD3 ARG A 63 2.405 -4.119 16.228 1.00 37.16 H new ATOM 0 HE ARG A 63 0.556 -4.858 17.137 1.00 42.82 H new ATOM 0 HH11 ARG A 63 0.352 -5.748 13.955 1.00 45.57 H new ATOM 0 HH12 ARG A 63 -0.963 -6.439 14.060 1.00 45.57 H new ATOM 0 HH21 ARG A 63 -1.417 -5.967 17.302 1.00 45.78 H new ATOM 0 HH22 ARG A 63 -2.037 -6.572 16.091 1.00 45.78 H new ATOM 455 N SER A 64 -1.423 0.025 14.458 1.00 21.88 N ATOM 456 CA SER A 64 -2.108 1.187 15.019 1.00 21.47 C ATOM 457 C SER A 64 -1.605 1.459 16.430 1.00 20.18 C ATOM 458 O SER A 64 -1.338 2.603 16.801 1.00 19.76 O ATOM 459 CB SER A 64 -3.612 0.927 15.050 1.00 22.50 C ATOM 460 OG SER A 64 -4.036 0.320 13.837 1.00 25.66 O ATOM 0 H SER A 64 -1.949 -0.546 14.087 1.00 21.88 H new ATOM 0 HA SER A 64 -1.925 1.962 14.465 1.00 21.47 H new ATOM 0 HB2 SER A 64 -3.831 0.352 15.800 1.00 22.50 H new ATOM 0 HB3 SER A 64 -4.088 1.762 15.184 1.00 22.50 H new ATOM 0 HG SER A 64 -4.864 0.181 13.867 1.00 25.66 H new ATOM 461 N GLY A 65 -1.466 0.387 17.204 1.00 19.07 N ATOM 462 CA GLY A 65 -0.991 0.496 18.569 1.00 16.01 C ATOM 463 C GLY A 65 0.316 1.237 18.724 1.00 14.59 C ATOM 464 O GLY A 65 0.332 2.383 19.145 1.00 14.14 O ATOM 0 H GLY A 65 -1.644 -0.416 16.951 1.00 19.07 H new ATOM 0 HA2 GLY A 65 -1.668 0.944 19.100 1.00 16.01 H new ATOM 0 HA3 GLY A 65 -0.889 -0.396 18.935 1.00 16.01 H new ATOM 465 N LEU A 66 1.412 0.579 18.373 1.00 15.73 N ATOM 466 CA LEU A 66 2.748 1.160 18.494 1.00 17.51 C ATOM 467 C LEU A 66 2.951 2.500 17.785 1.00 18.67 C ATOM 468 O LEU A 66 3.840 3.283 18.151 1.00 19.07 O ATOM 469 CB LEU A 66 3.796 0.163 17.999 1.00 18.03 C ATOM 470 CG LEU A 66 3.763 -1.193 18.698 1.00 18.68 C ATOM 471 CD1 LEU A 66 2.555 -1.992 18.205 1.00 19.85 C ATOM 472 CD2 LEU A 66 5.046 -1.931 18.415 1.00 17.26 C ATOM 0 H LEU A 66 1.405 -0.221 18.056 1.00 15.73 H new ATOM 0 HA LEU A 66 2.852 1.349 19.440 1.00 17.51 H new ATOM 0 HB2 LEU A 66 3.671 0.026 17.047 1.00 18.03 H new ATOM 0 HB3 LEU A 66 4.677 0.553 18.116 1.00 18.03 H new ATOM 0 HG LEU A 66 3.680 -1.071 19.657 1.00 18.68 H new ATOM 0 HD11 LEU A 66 2.534 -2.854 18.649 1.00 19.85 H new ATOM 0 HD12 LEU A 66 1.741 -1.505 18.406 1.00 19.85 H new ATOM 0 HD13 LEU A 66 2.624 -2.124 17.247 1.00 19.85 H new ATOM 0 HD21 LEU A 66 5.028 -2.794 18.858 1.00 17.26 H new ATOM 0 HD22 LEU A 66 5.140 -2.061 17.458 1.00 17.26 H new ATOM 0 HD23 LEU A 66 5.797 -1.414 18.746 1.00 17.26 H new ATOM 473 N ALA A 67 2.140 2.763 16.767 1.00 18.77 N ATOM 474 CA ALA A 67 2.255 4.012 16.038 1.00 18.03 C ATOM 475 C ALA A 67 1.787 5.127 16.952 1.00 17.48 C ATOM 476 O ALA A 67 2.533 6.054 17.256 1.00 16.94 O ATOM 477 CB ALA A 67 1.406 3.961 14.789 1.00 19.25 C ATOM 0 H ALA A 67 1.522 2.235 16.486 1.00 18.77 H new ATOM 0 HA ALA A 67 3.174 4.166 15.768 1.00 18.03 H new ATOM 0 HB1 ALA A 67 1.488 4.799 14.307 1.00 19.25 H new ATOM 0 HB2 ALA A 67 1.706 3.233 14.223 1.00 19.25 H new ATOM 0 HB3 ALA A 67 0.478 3.819 15.034 1.00 19.25 H new ATOM 478 N TYR A 68 0.544 5.012 17.403 1.00 18.18 N ATOM 479 CA TYR A 68 -0.050 6.000 18.286 1.00 18.37 C ATOM 480 C TYR A 68 0.732 6.163 19.587 1.00 17.59 C ATOM 481 O TYR A 68 1.279 7.228 19.859 1.00 17.19 O ATOM 482 CB TYR A 68 -1.491 5.608 18.600 1.00 19.71 C ATOM 483 CG TYR A 68 -2.240 6.656 19.378 1.00 24.35 C ATOM 484 CD1 TYR A 68 -2.323 7.970 18.911 1.00 26.60 C ATOM 485 CD2 TYR A 68 -2.883 6.343 20.574 1.00 25.87 C ATOM 486 CE1 TYR A 68 -3.029 8.952 19.617 1.00 27.81 C ATOM 487 CE2 TYR A 68 -3.596 7.315 21.287 1.00 27.35 C ATOM 488 CZ TYR A 68 -3.664 8.616 20.802 1.00 28.38 C ATOM 489 OH TYR A 68 -4.371 9.582 21.491 1.00 30.60 O ATOM 0 H TYR A 68 0.022 4.358 17.204 1.00 18.18 H new ATOM 0 HA TYR A 68 -0.026 6.853 17.824 1.00 18.37 H new ATOM 0 HB2 TYR A 68 -1.960 5.435 17.769 1.00 19.71 H new ATOM 0 HB3 TYR A 68 -1.491 4.779 19.104 1.00 19.71 H new ATOM 0 HD1 TYR A 68 -1.900 8.197 18.114 1.00 26.60 H new ATOM 0 HD2 TYR A 68 -2.838 5.475 20.904 1.00 25.87 H new ATOM 0 HE1 TYR A 68 -3.071 9.823 19.293 1.00 27.81 H new ATOM 0 HE2 TYR A 68 -4.023 7.091 22.082 1.00 27.35 H new ATOM 0 HH TYR A 68 -4.703 9.245 22.185 1.00 30.60 H new ATOM 490 N LYS A 69 0.799 5.090 20.369 1.00 16.58 N ATOM 491 CA LYS A 69 1.469 5.076 21.664 1.00 16.94 C ATOM 492 C LYS A 69 2.979 5.338 21.741 1.00 16.62 C ATOM 493 O LYS A 69 3.439 6.014 22.656 1.00 15.78 O ATOM 494 CB LYS A 69 1.167 3.748 22.349 1.00 19.87 C ATOM 495 CG LYS A 69 1.616 3.646 23.797 1.00 21.78 C ATOM 496 CD LYS A 69 0.649 4.307 24.741 1.00 25.57 C ATOM 497 CE LYS A 69 0.907 3.848 26.162 1.00 27.84 C ATOM 498 NZ LYS A 69 0.700 2.378 26.309 1.00 29.26 N ATOM 0 H LYS A 69 0.449 4.334 20.156 1.00 16.58 H new ATOM 0 HA LYS A 69 1.100 5.858 22.104 1.00 16.94 H new ATOM 0 HB2 LYS A 69 0.210 3.592 22.311 1.00 19.87 H new ATOM 0 HB3 LYS A 69 1.591 3.037 21.844 1.00 19.87 H new ATOM 0 HG2 LYS A 69 1.713 2.712 24.038 1.00 21.78 H new ATOM 0 HG3 LYS A 69 2.490 4.056 23.892 1.00 21.78 H new ATOM 0 HD2 LYS A 69 0.739 5.271 24.684 1.00 25.57 H new ATOM 0 HD3 LYS A 69 -0.261 4.092 24.485 1.00 25.57 H new ATOM 0 HE2 LYS A 69 1.815 4.075 26.416 1.00 27.84 H new ATOM 0 HE3 LYS A 69 0.316 4.321 26.768 1.00 27.84 H new ATOM 0 HZ1 LYS A 69 0.387 2.202 27.123 1.00 29.26 H new ATOM 0 HZ2 LYS A 69 0.115 2.098 25.700 1.00 29.26 H new ATOM 0 HZ3 LYS A 69 1.475 1.956 26.192 1.00 29.26 H new ATOM 499 N TYR A 70 3.766 4.806 20.813 1.00 17.07 N ATOM 500 CA TYR A 70 5.214 5.024 20.878 1.00 16.50 C ATOM 501 C TYR A 70 5.842 5.709 19.676 1.00 16.35 C ATOM 502 O TYR A 70 7.062 5.851 19.611 1.00 15.88 O ATOM 503 CB TYR A 70 5.930 3.700 21.122 1.00 17.11 C ATOM 504 CG TYR A 70 5.408 3.004 22.340 1.00 18.51 C ATOM 505 CD1 TYR A 70 4.338 2.125 22.249 1.00 18.56 C ATOM 506 CD2 TYR A 70 5.901 3.319 23.602 1.00 18.37 C ATOM 507 CE1 TYR A 70 3.765 1.588 23.382 1.00 20.25 C ATOM 508 CE2 TYR A 70 5.335 2.794 24.741 1.00 19.24 C ATOM 509 CZ TYR A 70 4.261 1.934 24.630 1.00 20.48 C ATOM 510 OH TYR A 70 3.644 1.466 25.768 1.00 21.76 O ATOM 0 H TYR A 70 3.495 4.327 20.152 1.00 17.07 H new ATOM 0 HA TYR A 70 5.329 5.643 21.616 1.00 16.50 H new ATOM 0 HB2 TYR A 70 5.820 3.125 20.348 1.00 17.11 H new ATOM 0 HB3 TYR A 70 6.881 3.860 21.223 1.00 17.11 H new ATOM 0 HD1 TYR A 70 4.003 1.895 21.412 1.00 18.56 H new ATOM 0 HD2 TYR A 70 6.627 3.895 23.677 1.00 18.37 H new ATOM 0 HE1 TYR A 70 3.050 0.997 23.310 1.00 20.25 H new ATOM 0 HE2 TYR A 70 5.673 3.017 25.578 1.00 19.24 H new ATOM 0 HH TYR A 70 4.050 1.753 26.445 1.00 21.76 H new ATOM 511 N GLY A 71 5.018 6.132 18.726 1.00 15.60 N ATOM 512 CA GLY A 71 5.552 6.800 17.556 1.00 16.09 C ATOM 513 C GLY A 71 6.471 5.911 16.744 1.00 15.19 C ATOM 514 O GLY A 71 7.451 6.375 16.164 1.00 15.30 O ATOM 0 H GLY A 71 4.163 6.043 18.740 1.00 15.60 H new ATOM 0 HA2 GLY A 71 4.819 7.098 16.996 1.00 16.09 H new ATOM 0 HA3 GLY A 71 6.037 7.593 17.834 1.00 16.09 H new ATOM 515 N ILE A 72 6.140 4.626 16.708 1.00 15.17 N ATOM 516 CA ILE A 72 6.910 3.636 15.973 1.00 14.97 C ATOM 517 C ILE A 72 6.388 3.564 14.536 1.00 14.46 C ATOM 518 O ILE A 72 5.190 3.350 14.314 1.00 14.04 O ATOM 519 CB ILE A 72 6.756 2.235 16.627 1.00 16.44 C ATOM 520 CG1 ILE A 72 7.145 2.289 18.107 1.00 16.17 C ATOM 521 CG2 ILE A 72 7.613 1.222 15.901 1.00 17.87 C ATOM 522 CD1 ILE A 72 8.600 2.674 18.352 1.00 16.90 C ATOM 0 H ILE A 72 5.455 4.302 17.114 1.00 15.17 H new ATOM 0 HA ILE A 72 7.845 3.894 15.985 1.00 14.97 H new ATOM 0 HB ILE A 72 5.827 1.965 16.561 1.00 16.44 H new ATOM 0 HG12 ILE A 72 6.571 2.926 18.560 1.00 16.17 H new ATOM 0 HG13 ILE A 72 6.978 1.422 18.508 1.00 16.17 H new ATOM 0 HG21 ILE A 72 7.509 0.352 16.317 1.00 17.87 H new ATOM 0 HG22 ILE A 72 7.337 1.171 14.972 1.00 17.87 H new ATOM 0 HG23 ILE A 72 8.543 1.493 15.947 1.00 17.87 H new ATOM 0 HD11 ILE A 72 8.775 2.688 19.306 1.00 16.90 H new ATOM 0 HD12 ILE A 72 9.183 2.026 17.927 1.00 16.90 H new ATOM 0 HD13 ILE A 72 8.769 3.553 17.979 1.00 16.90 H new ATOM 523 N ASP A 73 7.284 3.745 13.567 1.00 14.12 N ATOM 524 CA ASP A 73 6.917 3.682 12.148 1.00 13.76 C ATOM 525 C ASP A 73 7.686 2.545 11.451 1.00 13.60 C ATOM 526 O ASP A 73 8.705 2.074 11.963 1.00 13.61 O ATOM 527 CB ASP A 73 7.234 5.014 11.463 1.00 14.76 C ATOM 528 CG ASP A 73 6.596 5.131 10.085 1.00 16.80 C ATOM 529 OD1 ASP A 73 7.108 5.909 9.239 1.00 18.42 O ATOM 530 OD2 ASP A 73 5.568 4.454 9.857 1.00 17.74 O ATOM 0 H ASP A 73 8.117 3.907 13.710 1.00 14.12 H new ATOM 0 HA ASP A 73 5.965 3.508 12.081 1.00 13.76 H new ATOM 0 HB2 ASP A 73 6.924 5.743 12.022 1.00 14.76 H new ATOM 0 HB3 ASP A 73 8.196 5.110 11.380 1.00 14.76 H new ATOM 531 N VAL A 74 7.203 2.108 10.289 1.00 13.30 N ATOM 532 CA VAL A 74 7.854 1.024 9.540 1.00 13.90 C ATOM 533 C VAL A 74 8.499 1.475 8.223 1.00 12.73 C ATOM 534 O VAL A 74 7.780 1.863 7.302 1.00 13.80 O ATOM 535 CB VAL A 74 6.851 -0.106 9.190 1.00 13.32 C ATOM 536 CG1 VAL A 74 7.548 -1.183 8.369 1.00 13.84 C ATOM 537 CG2 VAL A 74 6.276 -0.706 10.440 1.00 13.45 C ATOM 0 H VAL A 74 6.497 2.425 9.913 1.00 13.30 H new ATOM 0 HA VAL A 74 8.550 0.709 10.137 1.00 13.90 H new ATOM 0 HB VAL A 74 6.127 0.274 8.668 1.00 13.32 H new ATOM 0 HG11 VAL A 74 6.915 -1.886 8.154 1.00 13.84 H new ATOM 0 HG12 VAL A 74 7.890 -0.794 7.549 1.00 13.84 H new ATOM 0 HG13 VAL A 74 8.283 -1.555 8.881 1.00 13.84 H new ATOM 0 HG21 VAL A 74 5.652 -1.410 10.204 1.00 13.45 H new ATOM 0 HG22 VAL A 74 6.991 -1.077 10.980 1.00 13.45 H new ATOM 0 HG23 VAL A 74 5.813 -0.020 10.945 1.00 13.45 H new ATOM 538 N LEU A 75 9.835 1.399 8.138 1.00 11.65 N ATOM 539 CA LEU A 75 10.598 1.776 6.938 1.00 10.58 C ATOM 540 C LEU A 75 10.688 0.598 5.947 1.00 11.84 C ATOM 541 O LEU A 75 10.498 -0.559 6.332 1.00 10.45 O ATOM 542 CB LEU A 75 12.011 2.214 7.324 1.00 11.83 C ATOM 543 CG LEU A 75 12.192 3.416 8.249 1.00 12.77 C ATOM 544 CD1 LEU A 75 13.579 3.401 8.843 1.00 12.00 C ATOM 545 CD2 LEU A 75 11.974 4.697 7.487 1.00 12.65 C ATOM 0 H LEU A 75 10.329 1.123 8.785 1.00 11.65 H new ATOM 0 HA LEU A 75 10.132 2.512 6.511 1.00 10.58 H new ATOM 0 HB2 LEU A 75 12.448 1.455 7.742 1.00 11.83 H new ATOM 0 HB3 LEU A 75 12.493 2.402 6.503 1.00 11.83 H new ATOM 0 HG LEU A 75 11.539 3.363 8.964 1.00 12.77 H new ATOM 0 HD11 LEU A 75 13.688 4.166 9.429 1.00 12.00 H new ATOM 0 HD12 LEU A 75 13.705 2.584 9.351 1.00 12.00 H new ATOM 0 HD13 LEU A 75 14.237 3.443 8.131 1.00 12.00 H new ATOM 0 HD21 LEU A 75 12.091 5.453 8.084 1.00 12.65 H new ATOM 0 HD22 LEU A 75 12.616 4.756 6.762 1.00 12.65 H new ATOM 0 HD23 LEU A 75 11.075 4.709 7.124 1.00 12.65 H new ATOM 546 N ALA A 76 10.986 0.886 4.678 1.00 12.19 N ATOM 547 CA ALA A 76 11.079 -0.150 3.643 1.00 11.06 C ATOM 548 C ALA A 76 9.775 -0.956 3.638 1.00 10.88 C ATOM 549 O ALA A 76 8.720 -0.437 3.280 1.00 11.81 O ATOM 550 CB ALA A 76 12.277 -1.062 3.916 1.00 8.38 C ATOM 0 H ALA A 76 11.139 1.683 4.393 1.00 12.19 H new ATOM 0 HA ALA A 76 11.208 0.260 2.774 1.00 11.06 H new ATOM 0 HB1 ALA A 76 12.329 -1.743 3.227 1.00 8.38 H new ATOM 0 HB2 ALA A 76 13.092 -0.536 3.913 1.00 8.38 H new ATOM 0 HB3 ALA A 76 12.170 -1.487 4.782 1.00 8.38 H new ATOM 551 N GLY A 77 9.848 -2.225 4.023 1.00 11.70 N ATOM 552 CA GLY A 77 8.650 -3.042 4.095 1.00 9.87 C ATOM 553 C GLY A 77 8.083 -3.735 2.874 1.00 11.63 C ATOM 554 O GLY A 77 7.014 -4.339 2.983 1.00 11.72 O ATOM 0 H GLY A 77 10.575 -2.627 4.244 1.00 11.70 H new ATOM 0 HA2 GLY A 77 8.820 -3.732 4.756 1.00 9.87 H new ATOM 0 HA3 GLY A 77 7.946 -2.477 4.449 1.00 9.87 H new ATOM 555 N VAL A 78 8.766 -3.663 1.729 1.00 12.69 N ATOM 556 CA VAL A 78 8.292 -4.317 0.500 1.00 13.09 C ATOM 557 C VAL A 78 8.938 -5.680 0.331 1.00 12.77 C ATOM 558 O VAL A 78 10.129 -5.771 0.067 1.00 12.07 O ATOM 559 CB VAL A 78 8.636 -3.514 -0.762 1.00 12.85 C ATOM 560 CG1 VAL A 78 8.085 -4.223 -1.985 1.00 12.66 C ATOM 561 CG2 VAL A 78 8.086 -2.117 -0.656 1.00 15.04 C ATOM 0 H VAL A 78 9.509 -3.239 1.641 1.00 12.69 H new ATOM 0 HA VAL A 78 7.329 -4.386 0.597 1.00 13.09 H new ATOM 0 HB VAL A 78 9.600 -3.451 -0.850 1.00 12.85 H new ATOM 0 HG11 VAL A 78 8.304 -3.713 -2.781 1.00 12.66 H new ATOM 0 HG12 VAL A 78 8.477 -5.108 -2.050 1.00 12.66 H new ATOM 0 HG13 VAL A 78 7.121 -4.302 -1.907 1.00 12.66 H new ATOM 0 HG21 VAL A 78 8.309 -1.619 -1.458 1.00 15.04 H new ATOM 0 HG22 VAL A 78 7.122 -2.155 -0.558 1.00 15.04 H new ATOM 0 HG23 VAL A 78 8.472 -1.675 0.116 1.00 15.04 H new ATOM 562 N ILE A 79 8.148 -6.737 0.466 1.00 14.32 N ATOM 563 CA ILE A 79 8.667 -8.091 0.334 1.00 15.41 C ATOM 564 C ILE A 79 8.173 -8.684 -0.975 1.00 17.41 C ATOM 565 O ILE A 79 6.975 -8.913 -1.147 1.00 18.11 O ATOM 566 CB ILE A 79 8.226 -8.946 1.541 1.00 14.70 C ATOM 567 CG1 ILE A 79 8.565 -8.178 2.826 1.00 13.73 C ATOM 568 CG2 ILE A 79 8.916 -10.318 1.512 1.00 14.55 C ATOM 569 CD1 ILE A 79 8.572 -8.995 4.070 1.00 14.28 C ATOM 0 H ILE A 79 7.306 -6.692 0.635 1.00 14.32 H new ATOM 0 HA ILE A 79 9.637 -8.077 0.323 1.00 15.41 H new ATOM 0 HB ILE A 79 7.270 -9.107 1.505 1.00 14.70 H new ATOM 0 HG12 ILE A 79 9.438 -7.769 2.720 1.00 13.73 H new ATOM 0 HG13 ILE A 79 7.925 -7.457 2.933 1.00 13.73 H new ATOM 0 HG21 ILE A 79 8.628 -10.841 2.276 1.00 14.55 H new ATOM 0 HG22 ILE A 79 8.678 -10.783 0.694 1.00 14.55 H new ATOM 0 HG23 ILE A 79 9.878 -10.198 1.547 1.00 14.55 H new ATOM 0 HD11 ILE A 79 8.795 -8.431 4.827 1.00 14.28 H new ATOM 0 HD12 ILE A 79 7.695 -9.386 4.206 1.00 14.28 H new ATOM 0 HD13 ILE A 79 9.231 -9.702 3.989 1.00 14.28 H new ATOM 570 N ASP A 80 9.104 -8.916 -1.900 1.00 19.38 N ATOM 571 CA ASP A 80 8.771 -9.437 -3.220 1.00 22.23 C ATOM 572 C ASP A 80 8.366 -10.903 -3.198 1.00 24.97 C ATOM 573 O ASP A 80 8.803 -11.666 -2.335 1.00 25.45 O ATOM 574 CB ASP A 80 9.950 -9.244 -4.176 1.00 22.72 C ATOM 575 CG ASP A 80 10.556 -7.844 -4.096 1.00 24.06 C ATOM 576 OD1 ASP A 80 11.546 -7.672 -3.350 1.00 24.56 O ATOM 577 OD2 ASP A 80 10.046 -6.915 -4.772 1.00 23.04 O ATOM 0 H ASP A 80 9.944 -8.775 -1.778 1.00 19.38 H new ATOM 0 HA ASP A 80 8.002 -8.933 -3.530 1.00 22.23 H new ATOM 0 HB2 ASP A 80 10.635 -9.900 -3.974 1.00 22.72 H new ATOM 0 HB3 ASP A 80 9.655 -9.412 -5.085 1.00 22.72 H new ATOM 578 N GLU A 81 7.532 -11.296 -4.159 1.00 28.03 N ATOM 579 CA GLU A 81 7.051 -12.675 -4.242 1.00 30.03 C ATOM 580 C GLU A 81 8.180 -13.667 -4.503 1.00 30.23 C ATOM 581 O GLU A 81 7.999 -14.879 -4.366 1.00 30.86 O ATOM 582 CB GLU A 81 5.988 -12.803 -5.337 1.00 31.71 C ATOM 583 CG GLU A 81 5.316 -14.168 -5.379 1.00 35.21 C ATOM 584 CD GLU A 81 5.766 -15.018 -6.552 1.00 37.42 C ATOM 585 OE1 GLU A 81 6.976 -15.035 -6.857 1.00 37.57 O ATOM 586 OE2 GLU A 81 4.904 -15.681 -7.165 1.00 40.12 O ATOM 0 H GLU A 81 7.231 -10.777 -4.776 1.00 28.03 H new ATOM 0 HA GLU A 81 6.662 -12.892 -3.380 1.00 30.03 H new ATOM 0 HB2 GLU A 81 5.311 -12.122 -5.201 1.00 31.71 H new ATOM 0 HB3 GLU A 81 6.399 -12.627 -6.198 1.00 31.71 H new ATOM 0 HG2 GLU A 81 5.504 -14.641 -4.553 1.00 35.21 H new ATOM 0 HG3 GLU A 81 4.355 -14.048 -5.424 1.00 35.21 H new ATOM 587 N ASP A 82 9.348 -13.151 -4.866 1.00 30.00 N ATOM 588 CA ASP A 82 10.491 -14.006 -5.141 1.00 29.64 C ATOM 589 C ASP A 82 11.512 -13.998 -3.993 1.00 28.72 C ATOM 590 O ASP A 82 12.615 -14.525 -4.141 1.00 28.32 O ATOM 591 CB ASP A 82 11.154 -13.576 -6.457 1.00 31.01 C ATOM 592 CG ASP A 82 11.951 -12.295 -6.321 1.00 33.12 C ATOM 593 OD1 ASP A 82 11.459 -11.337 -5.691 1.00 34.33 O ATOM 594 OD2 ASP A 82 13.077 -12.241 -6.851 1.00 34.69 O ATOM 0 H ASP A 82 9.498 -12.309 -4.958 1.00 30.00 H new ATOM 0 HA ASP A 82 10.168 -14.917 -5.223 1.00 29.64 H new ATOM 0 HB2 ASP A 82 11.739 -14.285 -6.766 1.00 31.01 H new ATOM 0 HB3 ASP A 82 10.471 -13.456 -7.135 1.00 31.01 H new ATOM 595 N TYR A 83 11.142 -13.414 -2.850 1.00 27.42 N ATOM 596 CA TYR A 83 12.037 -13.356 -1.687 1.00 26.23 C ATOM 597 C TYR A 83 12.104 -14.672 -0.906 1.00 26.55 C ATOM 598 O TYR A 83 11.143 -15.086 -0.240 1.00 25.44 O ATOM 599 CB TYR A 83 11.619 -12.249 -0.722 1.00 25.13 C ATOM 600 CG TYR A 83 12.623 -12.031 0.388 1.00 23.72 C ATOM 601 CD1 TYR A 83 13.947 -11.721 0.089 1.00 23.58 C ATOM 602 CD2 TYR A 83 12.257 -12.117 1.729 1.00 22.91 C ATOM 603 CE1 TYR A 83 14.879 -11.496 1.081 1.00 21.60 C ATOM 604 CE2 TYR A 83 13.192 -11.895 2.736 1.00 22.07 C ATOM 605 CZ TYR A 83 14.503 -11.580 2.396 1.00 21.75 C ATOM 606 OH TYR A 83 15.449 -11.315 3.356 1.00 22.39 O ATOM 0 H TYR A 83 10.375 -13.044 -2.726 1.00 27.42 H new ATOM 0 HA TYR A 83 12.916 -13.174 -2.054 1.00 26.23 H new ATOM 0 HB2 TYR A 83 11.504 -11.422 -1.215 1.00 25.13 H new ATOM 0 HB3 TYR A 83 10.758 -12.471 -0.335 1.00 25.13 H new ATOM 0 HD1 TYR A 83 14.210 -11.664 -0.801 1.00 23.58 H new ATOM 0 HD2 TYR A 83 11.379 -12.325 1.954 1.00 22.91 H new ATOM 0 HE1 TYR A 83 15.758 -11.288 0.858 1.00 21.60 H new ATOM 0 HE2 TYR A 83 12.942 -11.957 3.630 1.00 22.07 H new ATOM 0 HH TYR A 83 15.121 -11.449 4.118 1.00 22.39 H new ATOM 607 N THR A 84 13.265 -15.310 -0.963 1.00 26.78 N ATOM 608 CA THR A 84 13.448 -16.575 -0.287 1.00 26.97 C ATOM 609 C THR A 84 14.131 -16.430 1.081 1.00 26.65 C ATOM 610 O THR A 84 14.115 -17.359 1.886 1.00 26.56 O ATOM 611 CB THR A 84 14.251 -17.523 -1.182 1.00 27.35 C ATOM 612 OG1 THR A 84 14.063 -18.870 -0.741 1.00 29.46 O ATOM 613 CG2 THR A 84 15.730 -17.175 -1.134 1.00 28.41 C ATOM 0 H THR A 84 13.956 -15.025 -1.388 1.00 26.78 H new ATOM 0 HA THR A 84 12.566 -16.942 -0.118 1.00 26.97 H new ATOM 0 HB THR A 84 13.938 -17.430 -2.095 1.00 27.35 H new ATOM 0 HG1 THR A 84 14.074 -18.894 0.099 1.00 29.46 H new ATOM 0 HG21 THR A 84 16.224 -17.783 -1.705 1.00 28.41 H new ATOM 0 HG22 THR A 84 15.859 -16.265 -1.444 1.00 28.41 H new ATOM 0 HG23 THR A 84 16.052 -17.254 -0.222 1.00 28.41 H new ATOM 614 N GLY A 85 14.717 -15.267 1.349 1.00 25.90 N ATOM 615 CA GLY A 85 15.378 -15.055 2.630 1.00 25.90 C ATOM 616 C GLY A 85 14.442 -14.844 3.817 1.00 25.61 C ATOM 617 O GLY A 85 13.231 -15.066 3.705 1.00 26.47 O ATOM 0 H GLY A 85 14.743 -14.597 0.810 1.00 25.90 H new ATOM 0 HA2 GLY A 85 15.945 -15.820 2.816 1.00 25.90 H new ATOM 0 HA3 GLY A 85 15.960 -14.282 2.554 1.00 25.90 H new ATOM 618 N GLU A 86 14.996 -14.413 4.952 1.00 24.20 N ATOM 619 CA GLU A 86 14.199 -14.174 6.157 1.00 23.70 C ATOM 620 C GLU A 86 13.588 -12.776 6.178 1.00 22.80 C ATOM 621 O GLU A 86 14.217 -11.810 5.757 1.00 22.42 O ATOM 622 CB GLU A 86 15.052 -14.349 7.416 1.00 24.56 C ATOM 623 CG GLU A 86 14.310 -14.023 8.714 1.00 28.68 C ATOM 624 CD GLU A 86 15.241 -13.857 9.917 1.00 31.79 C ATOM 625 OE1 GLU A 86 14.771 -13.406 10.991 1.00 33.53 O ATOM 626 OE2 GLU A 86 16.444 -14.177 9.792 1.00 32.68 O ATOM 0 H GLU A 86 15.836 -14.252 5.045 1.00 24.20 H new ATOM 0 HA GLU A 86 13.482 -14.827 6.143 1.00 23.70 H new ATOM 0 HB2 GLU A 86 15.370 -15.264 7.456 1.00 24.56 H new ATOM 0 HB3 GLU A 86 15.834 -13.779 7.348 1.00 24.56 H new ATOM 0 HG2 GLU A 86 13.801 -13.207 8.592 1.00 28.68 H new ATOM 0 HG3 GLU A 86 13.673 -14.730 8.901 1.00 28.68 H new ATOM 627 N VAL A 87 12.361 -12.670 6.678 1.00 21.35 N ATOM 628 CA VAL A 87 11.702 -11.377 6.760 1.00 19.78 C ATOM 629 C VAL A 87 12.310 -10.543 7.877 1.00 18.30 C ATOM 630 O VAL A 87 12.356 -10.964 9.029 1.00 17.61 O ATOM 631 CB VAL A 87 10.199 -11.521 7.043 1.00 20.33 C ATOM 632 CG1 VAL A 87 9.555 -10.150 7.186 1.00 19.76 C ATOM 633 CG2 VAL A 87 9.545 -12.301 5.936 1.00 20.75 C ATOM 0 H VAL A 87 11.897 -13.331 6.973 1.00 21.35 H new ATOM 0 HA VAL A 87 11.827 -10.944 5.901 1.00 19.78 H new ATOM 0 HB VAL A 87 10.078 -12.002 7.877 1.00 20.33 H new ATOM 0 HG11 VAL A 87 8.607 -10.254 7.364 1.00 19.76 H new ATOM 0 HG12 VAL A 87 9.971 -9.672 7.920 1.00 19.76 H new ATOM 0 HG13 VAL A 87 9.676 -9.648 6.365 1.00 19.76 H new ATOM 0 HG21 VAL A 87 8.596 -12.389 6.119 1.00 20.75 H new ATOM 0 HG22 VAL A 87 9.670 -11.835 5.094 1.00 20.75 H new ATOM 0 HG23 VAL A 87 9.947 -13.182 5.880 1.00 20.75 H new ATOM 634 N LYS A 88 12.791 -9.361 7.516 1.00 16.80 N ATOM 635 CA LYS A 88 13.373 -8.427 8.466 1.00 15.33 C ATOM 636 C LYS A 88 12.369 -7.279 8.568 1.00 14.46 C ATOM 637 O LYS A 88 11.845 -6.829 7.555 1.00 16.37 O ATOM 638 CB LYS A 88 14.694 -7.895 7.932 1.00 14.93 C ATOM 639 CG LYS A 88 15.860 -8.067 8.855 1.00 14.94 C ATOM 640 CD LYS A 88 16.162 -9.536 9.104 1.00 18.13 C ATOM 641 CE LYS A 88 17.664 -9.749 9.363 1.00 20.89 C ATOM 642 NZ LYS A 88 18.242 -8.867 10.437 1.00 20.23 N ATOM 0 H LYS A 88 12.788 -9.076 6.704 1.00 16.80 H new ATOM 0 HA LYS A 88 13.545 -8.846 9.324 1.00 15.33 H new ATOM 0 HB2 LYS A 88 14.893 -8.341 7.094 1.00 14.93 H new ATOM 0 HB3 LYS A 88 14.591 -6.951 7.733 1.00 14.93 H new ATOM 0 HG2 LYS A 88 16.641 -7.635 8.475 1.00 14.94 H new ATOM 0 HG3 LYS A 88 15.674 -7.626 9.699 1.00 14.94 H new ATOM 0 HD2 LYS A 88 15.650 -9.851 9.865 1.00 18.13 H new ATOM 0 HD3 LYS A 88 15.884 -10.062 8.338 1.00 18.13 H new ATOM 0 HE2 LYS A 88 17.810 -10.676 9.608 1.00 20.89 H new ATOM 0 HE3 LYS A 88 18.148 -9.594 8.537 1.00 20.89 H new ATOM 0 HZ1 LYS A 88 19.071 -9.131 10.624 1.00 20.23 H new ATOM 0 HZ2 LYS A 88 18.256 -8.024 10.153 1.00 20.23 H new ATOM 0 HZ3 LYS A 88 17.741 -8.925 11.170 1.00 20.23 H new ATOM 643 N VAL A 89 12.080 -6.820 9.778 1.00 12.29 N ATOM 644 CA VAL A 89 11.143 -5.726 9.962 1.00 11.86 C ATOM 645 C VAL A 89 11.920 -4.505 10.411 1.00 11.64 C ATOM 646 O VAL A 89 12.416 -4.475 11.535 1.00 12.67 O ATOM 647 CB VAL A 89 10.088 -6.065 11.025 1.00 11.65 C ATOM 648 CG1 VAL A 89 9.310 -4.811 11.398 1.00 10.77 C ATOM 649 CG2 VAL A 89 9.137 -7.148 10.491 1.00 11.53 C ATOM 0 H VAL A 89 12.417 -7.130 10.506 1.00 12.29 H new ATOM 0 HA VAL A 89 10.685 -5.562 9.123 1.00 11.86 H new ATOM 0 HB VAL A 89 10.530 -6.405 11.819 1.00 11.65 H new ATOM 0 HG11 VAL A 89 8.645 -5.030 12.069 1.00 10.77 H new ATOM 0 HG12 VAL A 89 9.920 -4.145 11.753 1.00 10.77 H new ATOM 0 HG13 VAL A 89 8.869 -4.457 10.610 1.00 10.77 H new ATOM 0 HG21 VAL A 89 8.473 -7.358 11.167 1.00 11.53 H new ATOM 0 HG22 VAL A 89 8.693 -6.824 9.692 1.00 11.53 H new ATOM 0 HG23 VAL A 89 9.644 -7.947 10.277 1.00 11.53 H new ATOM 650 N ILE A 90 12.028 -3.503 9.536 1.00 11.99 N ATOM 651 CA ILE A 90 12.770 -2.288 9.858 1.00 10.40 C ATOM 652 C ILE A 90 11.899 -1.204 10.477 1.00 12.88 C ATOM 653 O ILE A 90 11.097 -0.578 9.794 1.00 13.98 O ATOM 654 CB ILE A 90 13.431 -1.710 8.620 1.00 9.50 C ATOM 655 CG1 ILE A 90 14.338 -2.758 7.981 1.00 9.53 C ATOM 656 CG2 ILE A 90 14.217 -0.488 8.994 1.00 10.58 C ATOM 657 CD1 ILE A 90 15.123 -2.241 6.796 1.00 9.42 C ATOM 0 H ILE A 90 11.678 -3.510 8.751 1.00 11.99 H new ATOM 0 HA ILE A 90 13.437 -2.557 10.509 1.00 10.40 H new ATOM 0 HB ILE A 90 12.751 -1.458 7.976 1.00 9.50 H new ATOM 0 HG12 ILE A 90 14.958 -3.089 8.650 1.00 9.53 H new ATOM 0 HG13 ILE A 90 13.798 -3.512 7.697 1.00 9.53 H new ATOM 0 HG21 ILE A 90 14.639 -0.120 8.202 1.00 10.58 H new ATOM 0 HG22 ILE A 90 13.622 0.174 9.381 1.00 10.58 H new ATOM 0 HG23 ILE A 90 14.899 -0.727 9.641 1.00 10.58 H new ATOM 0 HD11 ILE A 90 15.676 -2.953 6.439 1.00 9.42 H new ATOM 0 HD12 ILE A 90 14.509 -1.934 6.110 1.00 9.42 H new ATOM 0 HD13 ILE A 90 15.687 -1.504 7.078 1.00 9.42 H new ATOM 658 N LEU A 91 12.069 -0.974 11.774 1.00 13.56 N ATOM 659 CA LEU A 91 11.285 0.030 12.484 1.00 13.17 C ATOM 660 C LEU A 91 12.075 1.296 12.704 1.00 12.91 C ATOM 661 O LEU A 91 13.295 1.259 12.841 1.00 12.24 O ATOM 662 CB LEU A 91 10.844 -0.500 13.843 1.00 13.21 C ATOM 663 CG LEU A 91 10.065 -1.806 13.806 1.00 14.28 C ATOM 664 CD1 LEU A 91 9.774 -2.269 15.229 1.00 12.89 C ATOM 665 CD2 LEU A 91 8.796 -1.598 12.999 1.00 12.94 C ATOM 0 H LEU A 91 12.638 -1.392 12.265 1.00 13.56 H new ATOM 0 HA LEU A 91 10.512 0.227 11.932 1.00 13.17 H new ATOM 0 HB2 LEU A 91 11.631 -0.625 14.397 1.00 13.21 H new ATOM 0 HB3 LEU A 91 10.297 0.174 14.275 1.00 13.21 H new ATOM 0 HG LEU A 91 10.584 -2.504 13.376 1.00 14.28 H new ATOM 0 HD11 LEU A 91 9.277 -3.102 15.203 1.00 12.89 H new ATOM 0 HD12 LEU A 91 10.610 -2.406 15.702 1.00 12.89 H new ATOM 0 HD13 LEU A 91 9.250 -1.594 15.688 1.00 12.89 H new ATOM 0 HD21 LEU A 91 8.292 -2.426 12.969 1.00 12.94 H new ATOM 0 HD22 LEU A 91 8.258 -0.907 13.415 1.00 12.94 H new ATOM 0 HD23 LEU A 91 9.027 -1.328 12.096 1.00 12.94 H new ATOM 666 N TYR A 92 11.362 2.416 12.739 1.00 13.84 N ATOM 667 CA TYR A 92 11.975 3.716 12.968 1.00 14.78 C ATOM 668 C TYR A 92 11.286 4.408 14.140 1.00 16.00 C ATOM 669 O TYR A 92 10.074 4.654 14.099 1.00 16.05 O ATOM 670 CB TYR A 92 11.862 4.593 11.733 1.00 14.08 C ATOM 671 CG TYR A 92 12.368 5.981 11.996 1.00 16.21 C ATOM 672 CD1 TYR A 92 11.499 7.072 12.037 1.00 16.78 C ATOM 673 CD2 TYR A 92 13.713 6.204 12.253 1.00 16.12 C ATOM 674 CE1 TYR A 92 11.964 8.348 12.330 1.00 17.20 C ATOM 675 CE2 TYR A 92 14.185 7.473 12.547 1.00 17.23 C ATOM 676 CZ TYR A 92 13.309 8.539 12.584 1.00 17.90 C ATOM 677 OH TYR A 92 13.801 9.793 12.874 1.00 22.67 O ATOM 0 H TYR A 92 10.509 2.443 12.631 1.00 13.84 H new ATOM 0 HA TYR A 92 12.914 3.579 13.168 1.00 14.78 H new ATOM 0 HB2 TYR A 92 12.366 4.196 11.006 1.00 14.08 H new ATOM 0 HB3 TYR A 92 10.936 4.634 11.447 1.00 14.08 H new ATOM 0 HD1 TYR A 92 10.594 6.943 11.865 1.00 16.78 H new ATOM 0 HD2 TYR A 92 14.308 5.490 12.227 1.00 16.12 H new ATOM 0 HE1 TYR A 92 11.375 9.067 12.355 1.00 17.20 H new ATOM 0 HE2 TYR A 92 15.089 7.606 12.719 1.00 17.23 H new ATOM 0 HH TYR A 92 14.630 9.746 13.004 1.00 22.67 H new ATOM 678 N ASN A 93 12.060 4.721 15.179 1.00 17.11 N ATOM 679 CA ASN A 93 11.529 5.372 16.374 1.00 18.93 C ATOM 680 C ASN A 93 11.425 6.897 16.231 1.00 20.06 C ATOM 681 O ASN A 93 12.423 7.609 16.206 1.00 20.68 O ATOM 682 CB ASN A 93 12.402 5.019 17.574 1.00 20.32 C ATOM 683 CG ASN A 93 11.772 5.423 18.890 1.00 21.31 C ATOM 684 OD1 ASN A 93 11.093 6.445 18.972 1.00 20.12 O ATOM 685 ND2 ASN A 93 12.010 4.629 19.935 1.00 21.68 N ATOM 0 H ASN A 93 12.905 4.562 15.210 1.00 17.11 H new ATOM 0 HA ASN A 93 10.626 5.043 16.504 1.00 18.93 H new ATOM 0 HB2 ASN A 93 12.569 4.063 17.579 1.00 20.32 H new ATOM 0 HB3 ASN A 93 13.263 5.457 17.483 1.00 20.32 H new ATOM 0 HD21 ASN A 93 11.683 4.824 20.706 1.00 21.68 H new ATOM 0 HD22 ASN A 93 12.490 3.922 19.837 1.00 21.68 H new ATOM 686 N THR A 94 10.195 7.384 16.143 1.00 21.60 N ATOM 687 CA THR A 94 9.901 8.804 15.988 1.00 22.95 C ATOM 688 C THR A 94 10.111 9.605 17.272 1.00 26.01 C ATOM 689 O THR A 94 10.197 10.838 17.249 1.00 26.41 O ATOM 690 CB THR A 94 8.440 8.967 15.516 1.00 19.85 C ATOM 691 OG1 THR A 94 8.446 9.304 14.134 1.00 20.48 O ATOM 692 CG2 THR A 94 7.696 10.038 16.301 1.00 20.11 C ATOM 0 H THR A 94 9.492 6.889 16.172 1.00 21.60 H new ATOM 0 HA THR A 94 10.523 9.156 15.332 1.00 22.95 H new ATOM 0 HB THR A 94 7.976 8.128 15.667 1.00 19.85 H new ATOM 0 HG1 THR A 94 7.656 9.394 13.864 1.00 20.48 H new ATOM 0 HG21 THR A 94 6.786 10.107 15.973 1.00 20.11 H new ATOM 0 HG22 THR A 94 7.683 9.800 17.241 1.00 20.11 H new ATOM 0 HG23 THR A 94 8.144 10.891 16.190 1.00 20.11 H new ATOM 693 N THR A 95 10.211 8.875 18.378 1.00 28.91 N ATOM 694 CA THR A 95 10.346 9.431 19.719 1.00 30.89 C ATOM 695 C THR A 95 11.746 9.825 20.181 1.00 32.16 C ATOM 696 O THR A 95 12.758 9.464 19.574 1.00 31.82 O ATOM 697 CB THR A 95 9.774 8.424 20.747 1.00 31.59 C ATOM 698 OG1 THR A 95 8.514 7.935 20.279 1.00 33.20 O ATOM 699 CG2 THR A 95 9.565 9.078 22.084 1.00 32.87 C ATOM 0 H THR A 95 10.202 8.015 18.368 1.00 28.91 H new ATOM 0 HA THR A 95 9.854 10.266 19.668 1.00 30.89 H new ATOM 0 HB THR A 95 10.409 7.698 20.846 1.00 31.59 H new ATOM 0 HG1 THR A 95 8.548 7.099 20.204 1.00 33.20 H new ATOM 0 HG21 THR A 95 9.207 8.429 22.710 1.00 32.87 H new ATOM 0 HG22 THR A 95 10.412 9.414 22.416 1.00 32.87 H new ATOM 0 HG23 THR A 95 8.941 9.814 21.990 1.00 32.87 H new ATOM 700 N GLU A 96 11.775 10.583 21.275 1.00 33.89 N ATOM 701 CA GLU A 96 13.011 11.017 21.896 1.00 35.43 C ATOM 702 C GLU A 96 13.329 9.992 22.982 1.00 34.84 C ATOM 703 O GLU A 96 14.337 10.101 23.676 1.00 34.37 O ATOM 704 CB GLU A 96 12.843 12.391 22.535 1.00 37.89 C ATOM 705 CG GLU A 96 12.539 13.516 21.579 1.00 42.68 C ATOM 706 CD GLU A 96 12.584 14.876 22.269 1.00 46.14 C ATOM 707 OE1 GLU A 96 13.670 15.244 22.771 1.00 48.02 O ATOM 708 OE2 GLU A 96 11.540 15.576 22.316 1.00 48.19 O ATOM 0 H GLU A 96 11.067 10.860 21.678 1.00 33.89 H new ATOM 0 HA GLU A 96 13.720 11.082 21.237 1.00 35.43 H new ATOM 0 HB2 GLU A 96 12.129 12.341 23.190 1.00 37.89 H new ATOM 0 HB3 GLU A 96 13.656 12.608 23.018 1.00 37.89 H new ATOM 0 HG2 GLU A 96 13.179 13.502 20.850 1.00 42.68 H new ATOM 0 HG3 GLU A 96 11.661 13.380 21.189 1.00 42.68 H new ATOM 709 N ARG A 97 12.451 9.006 23.136 1.00 34.68 N ATOM 710 CA ARG A 97 12.655 7.957 24.127 1.00 35.37 C ATOM 711 C ARG A 97 12.680 6.582 23.456 1.00 34.25 C ATOM 712 O ARG A 97 11.866 6.298 22.572 1.00 33.93 O ATOM 713 CB ARG A 97 11.560 8.003 25.206 1.00 37.41 C ATOM 714 CG ARG A 97 10.189 7.492 24.778 1.00 41.59 C ATOM 715 CD ARG A 97 9.183 7.656 25.900 1.00 43.83 C ATOM 716 NE ARG A 97 9.184 9.025 26.416 1.00 46.59 N ATOM 717 CZ ARG A 97 8.744 10.088 25.744 1.00 47.50 C ATOM 718 NH1 ARG A 97 8.790 11.294 26.302 1.00 47.85 N ATOM 719 NH2 ARG A 97 8.248 9.949 24.520 1.00 47.72 N ATOM 0 H ARG A 97 11.729 8.927 22.675 1.00 34.68 H new ATOM 0 HA ARG A 97 13.512 8.110 24.555 1.00 35.37 H new ATOM 0 HB2 ARG A 97 11.858 7.482 25.968 1.00 37.41 H new ATOM 0 HB3 ARG A 97 11.465 8.920 25.509 1.00 37.41 H new ATOM 0 HG2 ARG A 97 9.888 7.977 23.994 1.00 41.59 H new ATOM 0 HG3 ARG A 97 10.251 6.557 24.527 1.00 41.59 H new ATOM 0 HD2 ARG A 97 8.296 7.430 25.578 1.00 43.83 H new ATOM 0 HD3 ARG A 97 9.391 7.037 26.617 1.00 43.83 H new ATOM 0 HE ARG A 97 9.490 9.153 27.209 1.00 46.59 H new ATOM 0 HH11 ARG A 97 9.104 11.388 27.097 1.00 47.85 H new ATOM 0 HH12 ARG A 97 8.506 11.980 25.868 1.00 47.85 H new ATOM 0 HH21 ARG A 97 8.210 9.170 24.157 1.00 47.72 H new ATOM 0 HH22 ARG A 97 7.965 10.638 24.090 1.00 47.72 H new ATOM 720 N ASP A 98 13.627 5.745 23.880 1.00 33.30 N ATOM 721 CA ASP A 98 13.798 4.398 23.340 1.00 32.04 C ATOM 722 C ASP A 98 12.559 3.545 23.463 1.00 31.07 C ATOM 723 O ASP A 98 11.676 3.832 24.264 1.00 30.74 O ATOM 724 CB ASP A 98 14.942 3.675 24.047 1.00 31.83 C ATOM 725 CG ASP A 98 16.290 4.218 23.664 1.00 32.80 C ATOM 726 OD1 ASP A 98 17.299 3.794 24.270 1.00 33.65 O ATOM 727 OD2 ASP A 98 16.342 5.067 22.751 1.00 33.33 O ATOM 0 H ASP A 98 14.193 5.946 24.495 1.00 33.30 H new ATOM 0 HA ASP A 98 13.993 4.519 22.397 1.00 32.04 H new ATOM 0 HB2 ASP A 98 14.826 3.753 25.007 1.00 31.83 H new ATOM 0 HB3 ASP A 98 14.905 2.730 23.833 1.00 31.83 H new ATOM 728 N TYR A 99 12.501 2.495 22.652 1.00 30.26 N ATOM 729 CA TYR A 99 11.384 1.567 22.691 1.00 29.08 C ATOM 730 C TYR A 99 11.956 0.179 22.916 1.00 28.87 C ATOM 731 O TYR A 99 12.997 -0.167 22.354 1.00 29.13 O ATOM 732 CB TYR A 99 10.596 1.585 21.383 1.00 28.45 C ATOM 733 CG TYR A 99 9.374 0.700 21.436 1.00 27.23 C ATOM 734 CD1 TYR A 99 9.028 -0.109 20.364 1.00 27.87 C ATOM 735 CD2 TYR A 99 8.580 0.656 22.571 1.00 26.39 C ATOM 736 CE1 TYR A 99 7.930 -0.941 20.428 1.00 29.64 C ATOM 737 CE2 TYR A 99 7.483 -0.168 22.646 1.00 27.27 C ATOM 738 CZ TYR A 99 7.161 -0.967 21.576 1.00 29.70 C ATOM 739 OH TYR A 99 6.078 -1.811 21.662 1.00 31.63 O ATOM 0 H TYR A 99 13.104 2.303 22.069 1.00 30.26 H new ATOM 0 HA TYR A 99 10.775 1.822 23.402 1.00 29.08 H new ATOM 0 HB2 TYR A 99 10.325 2.495 21.184 1.00 28.45 H new ATOM 0 HB3 TYR A 99 11.171 1.295 20.658 1.00 28.45 H new ATOM 0 HD1 TYR A 99 9.544 -0.090 19.591 1.00 27.87 H new ATOM 0 HD2 TYR A 99 8.794 1.196 23.297 1.00 26.39 H new ATOM 0 HE1 TYR A 99 7.709 -1.481 19.704 1.00 29.64 H new ATOM 0 HE2 TYR A 99 6.962 -0.185 23.416 1.00 27.27 H new ATOM 0 HH TYR A 99 5.710 -1.719 22.411 1.00 31.63 H new ATOM 740 N ILE A 100 11.277 -0.610 23.739 1.00 28.17 N ATOM 741 CA ILE A 100 11.729 -1.957 24.049 1.00 28.14 C ATOM 742 C ILE A 100 10.889 -3.016 23.353 1.00 28.11 C ATOM 743 O ILE A 100 9.659 -2.956 23.359 1.00 28.56 O ATOM 744 CB ILE A 100 11.702 -2.203 25.583 1.00 28.57 C ATOM 745 CG1 ILE A 100 12.925 -1.555 26.242 1.00 28.26 C ATOM 746 CG2 ILE A 100 11.670 -3.694 25.890 1.00 30.17 C ATOM 747 CD1 ILE A 100 12.928 -0.033 26.226 1.00 27.78 C ATOM 0 H ILE A 100 10.546 -0.381 24.131 1.00 28.17 H new ATOM 0 HA ILE A 100 12.639 -2.031 23.722 1.00 28.14 H new ATOM 0 HB ILE A 100 10.897 -1.799 25.944 1.00 28.57 H new ATOM 0 HG12 ILE A 100 12.978 -1.856 27.163 1.00 28.26 H new ATOM 0 HG13 ILE A 100 13.724 -1.872 25.793 1.00 28.26 H new ATOM 0 HG21 ILE A 100 11.654 -3.826 26.851 1.00 30.17 H new ATOM 0 HG22 ILE A 100 10.876 -4.089 25.496 1.00 30.17 H new ATOM 0 HG23 ILE A 100 12.460 -4.118 25.519 1.00 30.17 H new ATOM 0 HD11 ILE A 100 13.732 0.294 26.660 1.00 27.78 H new ATOM 0 HD12 ILE A 100 12.906 0.281 25.309 1.00 27.78 H new ATOM 0 HD13 ILE A 100 12.148 0.297 26.699 1.00 27.78 H new ATOM 748 N ILE A 101 11.567 -3.984 22.747 1.00 28.44 N ATOM 749 CA ILE A 101 10.897 -5.080 22.054 1.00 28.66 C ATOM 750 C ILE A 101 11.400 -6.399 22.628 1.00 28.70 C ATOM 751 O ILE A 101 12.600 -6.574 22.840 1.00 28.93 O ATOM 752 CB ILE A 101 11.175 -5.055 20.519 1.00 28.60 C ATOM 753 CG1 ILE A 101 10.478 -3.851 19.874 1.00 28.59 C ATOM 754 CG2 ILE A 101 10.671 -6.338 19.870 1.00 27.86 C ATOM 755 CD1 ILE A 101 10.708 -3.733 18.374 1.00 28.97 C ATOM 0 H ILE A 101 12.426 -4.025 22.725 1.00 28.44 H new ATOM 0 HA ILE A 101 9.941 -4.983 22.185 1.00 28.66 H new ATOM 0 HB ILE A 101 12.133 -4.982 20.383 1.00 28.60 H new ATOM 0 HG12 ILE A 101 9.525 -3.913 20.042 1.00 28.59 H new ATOM 0 HG13 ILE A 101 10.790 -3.040 20.305 1.00 28.59 H new ATOM 0 HG21 ILE A 101 10.849 -6.310 18.917 1.00 27.86 H new ATOM 0 HG22 ILE A 101 11.126 -7.100 20.262 1.00 27.86 H new ATOM 0 HG23 ILE A 101 9.716 -6.422 20.017 1.00 27.86 H new ATOM 0 HD11 ILE A 101 10.240 -2.954 18.035 1.00 28.97 H new ATOM 0 HD12 ILE A 101 11.658 -3.642 18.198 1.00 28.97 H new ATOM 0 HD13 ILE A 101 10.373 -4.528 17.931 1.00 28.97 H new ATOM 756 N LYS A 102 10.475 -7.318 22.882 1.00 28.67 N ATOM 757 CA LYS A 102 10.817 -8.621 23.435 1.00 29.11 C ATOM 758 C LYS A 102 10.332 -9.780 22.568 1.00 29.46 C ATOM 759 O LYS A 102 9.243 -9.711 21.998 1.00 29.55 O ATOM 760 CB LYS A 102 10.225 -8.764 24.840 1.00 29.35 C ATOM 761 CG LYS A 102 10.924 -7.925 25.882 1.00 29.98 C ATOM 762 CD LYS A 102 11.029 -8.662 27.196 1.00 30.53 C ATOM 763 CE LYS A 102 12.440 -8.541 27.755 1.00 32.89 C ATOM 764 NZ LYS A 102 12.907 -7.118 27.891 1.00 34.63 N ATOM 0 H LYS A 102 9.635 -7.204 22.739 1.00 28.67 H new ATOM 0 HA LYS A 102 11.786 -8.664 23.466 1.00 29.11 H new ATOM 0 HB2 LYS A 102 9.287 -8.517 24.814 1.00 29.35 H new ATOM 0 HB3 LYS A 102 10.266 -9.696 25.106 1.00 29.35 H new ATOM 0 HG2 LYS A 102 11.811 -7.689 25.569 1.00 29.98 H new ATOM 0 HG3 LYS A 102 10.439 -7.095 26.012 1.00 29.98 H new ATOM 0 HD2 LYS A 102 10.391 -8.299 27.830 1.00 30.53 H new ATOM 0 HD3 LYS A 102 10.803 -9.597 27.069 1.00 30.53 H new ATOM 0 HE2 LYS A 102 12.475 -8.970 28.624 1.00 32.89 H new ATOM 0 HE3 LYS A 102 13.052 -9.022 27.177 1.00 32.89 H new ATOM 0 HZ1 LYS A 102 13.544 -7.072 28.511 1.00 34.63 H new ATOM 0 HZ2 LYS A 102 13.232 -6.836 27.112 1.00 34.63 H new ATOM 0 HZ3 LYS A 102 12.222 -6.602 28.131 1.00 34.63 H new ATOM 765 N LYS A 103 11.143 -10.838 22.472 1.00 29.40 N ATOM 766 CA LYS A 103 10.784 -12.022 21.695 1.00 29.87 C ATOM 767 C LYS A 103 9.291 -12.243 21.862 1.00 29.71 C ATOM 768 O LYS A 103 8.790 -12.256 22.980 1.00 31.44 O ATOM 769 CB LYS A 103 11.500 -13.264 22.226 1.00 31.00 C ATOM 770 CG LYS A 103 13.003 -13.149 22.350 1.00 33.15 C ATOM 771 CD LYS A 103 13.616 -14.419 22.965 1.00 34.33 C ATOM 772 CE LYS A 103 13.513 -15.617 22.025 1.00 36.10 C ATOM 773 NZ LYS A 103 14.290 -16.801 22.507 1.00 37.16 N ATOM 0 H LYS A 103 11.912 -10.887 22.854 1.00 29.40 H new ATOM 0 HA LYS A 103 11.036 -11.884 20.769 1.00 29.87 H new ATOM 0 HB2 LYS A 103 11.135 -13.480 23.099 1.00 31.00 H new ATOM 0 HB3 LYS A 103 11.296 -14.010 21.641 1.00 31.00 H new ATOM 0 HG2 LYS A 103 13.390 -12.993 21.474 1.00 33.15 H new ATOM 0 HG3 LYS A 103 13.226 -12.382 22.900 1.00 33.15 H new ATOM 0 HD2 LYS A 103 14.548 -14.256 23.179 1.00 34.33 H new ATOM 0 HD3 LYS A 103 13.165 -14.624 23.799 1.00 34.33 H new ATOM 0 HE2 LYS A 103 12.581 -15.866 21.926 1.00 36.10 H new ATOM 0 HE3 LYS A 103 13.833 -15.361 21.146 1.00 36.10 H new ATOM 0 HZ1 LYS A 103 14.200 -17.471 21.928 1.00 37.16 H new ATOM 0 HZ2 LYS A 103 15.150 -16.584 22.576 1.00 37.16 H new ATOM 0 HZ3 LYS A 103 13.983 -17.054 23.303 1.00 37.16 H new ATOM 774 N GLY A 104 8.572 -12.404 20.762 1.00 29.19 N ATOM 775 CA GLY A 104 7.142 -12.626 20.868 1.00 27.75 C ATOM 776 C GLY A 104 6.274 -11.430 20.539 1.00 26.90 C ATOM 777 O GLY A 104 5.191 -11.600 19.976 1.00 27.80 O ATOM 0 H GLY A 104 8.885 -12.389 19.961 1.00 29.19 H new ATOM 0 HA2 GLY A 104 6.898 -13.356 20.277 1.00 27.75 H new ATOM 0 HA3 GLY A 104 6.941 -12.914 21.772 1.00 27.75 H new ATOM 778 N ASP A 105 6.733 -10.228 20.882 1.00 25.23 N ATOM 779 CA ASP A 105 5.962 -9.015 20.614 1.00 24.33 C ATOM 780 C ASP A 105 5.562 -8.871 19.158 1.00 23.43 C ATOM 781 O ASP A 105 6.395 -9.009 18.265 1.00 23.95 O ATOM 782 CB ASP A 105 6.752 -7.763 20.992 1.00 25.12 C ATOM 783 CG ASP A 105 7.151 -7.744 22.432 1.00 26.35 C ATOM 784 OD1 ASP A 105 6.631 -8.583 23.196 1.00 27.99 O ATOM 785 OD2 ASP A 105 7.981 -6.887 22.801 1.00 26.08 O ATOM 0 H ASP A 105 7.488 -10.093 21.271 1.00 25.23 H new ATOM 0 HA ASP A 105 5.162 -9.102 21.156 1.00 24.33 H new ATOM 0 HB2 ASP A 105 7.547 -7.708 20.439 1.00 25.12 H new ATOM 0 HB3 ASP A 105 6.217 -6.977 20.798 1.00 25.12 H new ATOM 786 N ARG A 106 4.287 -8.594 18.916 1.00 22.20 N ATOM 787 CA ARG A 106 3.835 -8.382 17.554 1.00 21.32 C ATOM 788 C ARG A 106 4.358 -6.983 17.226 1.00 19.22 C ATOM 789 O ARG A 106 3.909 -6.001 17.796 1.00 19.18 O ATOM 790 CB ARG A 106 2.310 -8.453 17.496 1.00 23.35 C ATOM 791 CG ARG A 106 1.777 -9.814 17.923 1.00 26.69 C ATOM 792 CD ARG A 106 0.293 -9.997 17.608 1.00 30.58 C ATOM 793 NE ARG A 106 -0.549 -8.990 18.249 1.00 34.45 N ATOM 794 CZ ARG A 106 -0.642 -8.809 19.564 1.00 37.01 C ATOM 795 NH1 ARG A 106 0.056 -9.573 20.398 1.00 38.43 N ATOM 796 NH2 ARG A 106 -1.433 -7.856 20.047 1.00 38.73 N ATOM 0 H ARG A 106 3.677 -8.526 19.518 1.00 22.20 H new ATOM 0 HA ARG A 106 4.152 -9.046 16.922 1.00 21.32 H new ATOM 0 HB2 ARG A 106 1.935 -7.767 18.070 1.00 23.35 H new ATOM 0 HB3 ARG A 106 2.014 -8.261 16.593 1.00 23.35 H new ATOM 0 HG2 ARG A 106 2.286 -10.510 17.478 1.00 26.69 H new ATOM 0 HG3 ARG A 106 1.917 -9.926 18.876 1.00 26.69 H new ATOM 0 HD2 ARG A 106 0.163 -9.958 16.648 1.00 30.58 H new ATOM 0 HD3 ARG A 106 0.012 -10.879 17.896 1.00 30.58 H new ATOM 0 HE ARG A 106 -1.017 -8.478 17.741 1.00 34.45 H new ATOM 0 HH11 ARG A 106 0.571 -10.188 20.089 1.00 38.43 H new ATOM 0 HH12 ARG A 106 -0.007 -9.452 21.247 1.00 38.43 H new ATOM 0 HH21 ARG A 106 -1.883 -7.358 19.510 1.00 38.73 H new ATOM 0 HH22 ARG A 106 -1.494 -7.738 20.897 1.00 38.73 H new ATOM 797 N ILE A 107 5.325 -6.906 16.318 1.00 17.28 N ATOM 798 CA ILE A 107 5.963 -5.641 15.960 1.00 15.51 C ATOM 799 C ILE A 107 5.522 -4.977 14.662 1.00 14.90 C ATOM 800 O ILE A 107 5.930 -3.857 14.365 1.00 15.14 O ATOM 801 CB ILE A 107 7.487 -5.825 15.902 1.00 14.99 C ATOM 802 CG1 ILE A 107 7.845 -6.891 14.864 1.00 13.60 C ATOM 803 CG2 ILE A 107 8.000 -6.270 17.261 1.00 15.29 C ATOM 804 CD1 ILE A 107 9.329 -7.060 14.648 1.00 11.97 C ATOM 0 H ILE A 107 5.631 -7.586 15.891 1.00 17.28 H new ATOM 0 HA ILE A 107 5.672 -5.041 16.664 1.00 15.51 H new ATOM 0 HB ILE A 107 7.895 -4.980 15.655 1.00 14.99 H new ATOM 0 HG12 ILE A 107 7.469 -7.741 15.143 1.00 13.60 H new ATOM 0 HG13 ILE A 107 7.428 -6.660 14.019 1.00 13.60 H new ATOM 0 HG21 ILE A 107 8.962 -6.386 17.222 1.00 15.29 H new ATOM 0 HG22 ILE A 107 7.782 -5.598 17.925 1.00 15.29 H new ATOM 0 HG23 ILE A 107 7.583 -7.111 17.505 1.00 15.29 H new ATOM 0 HD11 ILE A 107 9.483 -7.748 13.981 1.00 11.97 H new ATOM 0 HD12 ILE A 107 9.709 -6.222 14.341 1.00 11.97 H new ATOM 0 HD13 ILE A 107 9.750 -7.319 15.482 1.00 11.97 H new ATOM 805 N ALA A 108 4.697 -5.671 13.893 1.00 14.10 N ATOM 806 CA ALA A 108 4.202 -5.154 12.624 1.00 14.36 C ATOM 807 C ALA A 108 3.096 -6.079 12.136 1.00 14.74 C ATOM 808 O ALA A 108 2.550 -6.871 12.910 1.00 17.18 O ATOM 809 CB ALA A 108 5.331 -5.101 11.605 1.00 12.39 C ATOM 0 H ALA A 108 4.407 -6.456 14.091 1.00 14.10 H new ATOM 0 HA ALA A 108 3.858 -4.255 12.740 1.00 14.36 H new ATOM 0 HB1 ALA A 108 4.992 -4.756 10.764 1.00 12.39 H new ATOM 0 HB2 ALA A 108 6.035 -4.520 11.932 1.00 12.39 H new ATOM 0 HB3 ALA A 108 5.686 -5.993 11.468 1.00 12.39 H new ATOM 810 N GLN A 109 2.758 -5.988 10.858 1.00 14.05 N ATOM 811 CA GLN A 109 1.721 -6.841 10.307 1.00 14.03 C ATOM 812 C GLN A 109 1.922 -6.963 8.807 1.00 14.63 C ATOM 813 O GLN A 109 2.220 -5.981 8.132 1.00 14.75 O ATOM 814 CB GLN A 109 0.341 -6.258 10.606 1.00 13.86 C ATOM 815 CG GLN A 109 0.081 -4.926 9.930 1.00 14.83 C ATOM 816 CD GLN A 109 -1.292 -4.376 10.238 1.00 13.41 C ATOM 817 OE1 GLN A 109 -2.272 -5.117 10.255 1.00 12.67 O ATOM 818 NE2 GLN A 109 -1.375 -3.072 10.464 1.00 11.88 N ATOM 0 H GLN A 109 3.115 -5.442 10.297 1.00 14.05 H new ATOM 0 HA GLN A 109 1.777 -7.719 10.715 1.00 14.03 H new ATOM 0 HB2 GLN A 109 -0.337 -6.892 10.324 1.00 13.86 H new ATOM 0 HB3 GLN A 109 0.246 -6.149 11.565 1.00 13.86 H new ATOM 0 HG2 GLN A 109 0.753 -4.287 10.214 1.00 14.83 H new ATOM 0 HG3 GLN A 109 0.176 -5.030 8.970 1.00 14.83 H new ATOM 0 HE21 GLN A 109 -0.666 -2.586 10.443 1.00 11.88 H new ATOM 0 HE22 GLN A 109 -2.138 -2.712 10.631 1.00 11.88 H new ATOM 819 N LEU A 110 1.770 -8.176 8.291 1.00 14.54 N ATOM 820 CA LEU A 110 1.937 -8.421 6.864 1.00 14.62 C ATOM 821 C LEU A 110 0.599 -8.249 6.164 1.00 14.61 C ATOM 822 O LEU A 110 -0.440 -8.600 6.708 1.00 15.22 O ATOM 823 CB LEU A 110 2.463 -9.842 6.635 1.00 14.37 C ATOM 824 CG LEU A 110 3.075 -10.198 5.277 1.00 12.94 C ATOM 825 CD1 LEU A 110 4.200 -9.229 4.935 1.00 12.33 C ATOM 826 CD2 LEU A 110 3.611 -11.619 5.329 1.00 11.79 C ATOM 0 H LEU A 110 1.569 -8.874 8.752 1.00 14.54 H new ATOM 0 HA LEU A 110 2.576 -7.787 6.502 1.00 14.62 H new ATOM 0 HB2 LEU A 110 3.133 -10.019 7.314 1.00 14.37 H new ATOM 0 HB3 LEU A 110 1.729 -10.455 6.795 1.00 14.37 H new ATOM 0 HG LEU A 110 2.393 -10.132 4.590 1.00 12.94 H new ATOM 0 HD11 LEU A 110 4.579 -9.464 4.074 1.00 12.33 H new ATOM 0 HD12 LEU A 110 3.849 -8.326 4.897 1.00 12.33 H new ATOM 0 HD13 LEU A 110 4.889 -9.279 5.616 1.00 12.33 H new ATOM 0 HD21 LEU A 110 4.000 -11.850 4.471 1.00 11.79 H new ATOM 0 HD22 LEU A 110 4.289 -11.684 6.019 1.00 11.79 H new ATOM 0 HD23 LEU A 110 2.886 -12.231 5.530 1.00 11.79 H new ATOM 827 N ILE A 111 0.621 -7.688 4.964 1.00 14.98 N ATOM 828 CA ILE A 111 -0.607 -7.499 4.206 1.00 13.69 C ATOM 829 C ILE A 111 -0.344 -7.909 2.772 1.00 13.59 C ATOM 830 O ILE A 111 0.430 -7.268 2.064 1.00 13.47 O ATOM 831 CB ILE A 111 -1.100 -6.018 4.213 1.00 13.12 C ATOM 832 CG1 ILE A 111 -1.320 -5.529 5.649 1.00 11.85 C ATOM 833 CG2 ILE A 111 -2.404 -5.901 3.426 1.00 11.79 C ATOM 834 CD1 ILE A 111 -1.917 -4.139 5.733 1.00 10.60 C ATOM 0 H ILE A 111 1.334 -7.410 4.571 1.00 14.98 H new ATOM 0 HA ILE A 111 -1.298 -8.039 4.621 1.00 13.69 H new ATOM 0 HB ILE A 111 -0.420 -5.466 3.797 1.00 13.12 H new ATOM 0 HG12 ILE A 111 -1.905 -6.152 6.109 1.00 11.85 H new ATOM 0 HG13 ILE A 111 -0.471 -5.537 6.119 1.00 11.85 H new ATOM 0 HG21 ILE A 111 -2.705 -4.979 3.434 1.00 11.79 H new ATOM 0 HG22 ILE A 111 -2.256 -6.185 2.510 1.00 11.79 H new ATOM 0 HG23 ILE A 111 -3.080 -6.465 3.833 1.00 11.79 H new ATOM 0 HD11 ILE A 111 -2.030 -3.891 6.664 1.00 10.60 H new ATOM 0 HD12 ILE A 111 -1.324 -3.505 5.300 1.00 10.60 H new ATOM 0 HD13 ILE A 111 -2.780 -4.130 5.289 1.00 10.60 H new ATOM 835 N LEU A 112 -0.979 -8.997 2.359 1.00 13.53 N ATOM 836 CA LEU A 112 -0.844 -9.488 0.999 1.00 12.88 C ATOM 837 C LEU A 112 -1.642 -8.551 0.094 1.00 13.52 C ATOM 838 O LEU A 112 -2.845 -8.728 -0.098 1.00 14.39 O ATOM 839 CB LEU A 112 -1.397 -10.901 0.925 1.00 11.55 C ATOM 840 CG LEU A 112 -1.029 -11.690 2.176 1.00 10.90 C ATOM 841 CD1 LEU A 112 -1.652 -13.068 2.104 1.00 12.36 C ATOM 842 CD2 LEU A 112 0.474 -11.777 2.302 1.00 10.40 C ATOM 0 H LEU A 112 -1.498 -9.469 2.857 1.00 13.53 H new ATOM 0 HA LEU A 112 0.084 -9.508 0.719 1.00 12.88 H new ATOM 0 HB2 LEU A 112 -2.362 -10.871 0.828 1.00 11.55 H new ATOM 0 HB3 LEU A 112 -1.047 -11.350 0.139 1.00 11.55 H new ATOM 0 HG LEU A 112 -1.372 -11.239 2.963 1.00 10.90 H new ATOM 0 HD11 LEU A 112 -1.418 -13.571 2.900 1.00 12.36 H new ATOM 0 HD12 LEU A 112 -2.617 -12.985 2.046 1.00 12.36 H new ATOM 0 HD13 LEU A 112 -1.321 -13.533 1.320 1.00 12.36 H new ATOM 0 HD21 LEU A 112 0.704 -12.280 3.099 1.00 10.40 H new ATOM 0 HD22 LEU A 112 0.839 -12.224 1.522 1.00 10.40 H new ATOM 0 HD23 LEU A 112 0.846 -10.883 2.366 1.00 10.40 H new ATOM 843 N GLU A 113 -0.974 -7.545 -0.456 1.00 13.39 N ATOM 844 CA GLU A 113 -1.659 -6.591 -1.308 1.00 15.06 C ATOM 845 C GLU A 113 -1.585 -7.008 -2.757 1.00 15.79 C ATOM 846 O GLU A 113 -0.509 -7.325 -3.259 1.00 15.41 O ATOM 847 CB GLU A 113 -1.055 -5.191 -1.140 1.00 16.45 C ATOM 848 CG GLU A 113 -0.883 -4.744 0.303 1.00 16.65 C ATOM 849 CD GLU A 113 -0.770 -3.241 0.429 1.00 17.69 C ATOM 850 OE1 GLU A 113 -0.238 -2.614 -0.509 1.00 20.33 O ATOM 851 OE2 GLU A 113 -1.197 -2.682 1.463 1.00 16.53 O ATOM 0 H GLU A 113 -0.133 -7.400 -0.349 1.00 13.39 H new ATOM 0 HA GLU A 113 -2.591 -6.570 -1.040 1.00 15.06 H new ATOM 0 HB2 GLU A 113 -0.190 -5.170 -1.578 1.00 16.45 H new ATOM 0 HB3 GLU A 113 -1.621 -4.551 -1.599 1.00 16.45 H new ATOM 0 HG2 GLU A 113 -1.637 -5.055 0.828 1.00 16.65 H new ATOM 0 HG3 GLU A 113 -0.089 -5.158 0.675 1.00 16.65 H new ATOM 852 N GLN A 114 -2.732 -7.000 -3.429 1.00 17.67 N ATOM 853 CA GLN A 114 -2.796 -7.385 -4.840 1.00 19.22 C ATOM 854 C GLN A 114 -2.191 -6.323 -5.761 1.00 18.88 C ATOM 855 O GLN A 114 -2.555 -5.144 -5.714 1.00 18.21 O ATOM 856 CB GLN A 114 -4.246 -7.632 -5.265 1.00 20.64 C ATOM 857 CG GLN A 114 -5.069 -8.464 -4.302 1.00 21.64 C ATOM 858 CD GLN A 114 -6.488 -8.659 -4.808 1.00 24.20 C ATOM 859 OE1 GLN A 114 -7.436 -8.793 -4.025 1.00 23.06 O ATOM 860 NE2 GLN A 114 -6.641 -8.681 -6.131 1.00 25.30 N ATOM 0 H GLN A 114 -3.488 -6.774 -3.087 1.00 17.67 H new ATOM 0 HA GLN A 114 -2.276 -8.199 -4.926 1.00 19.22 H new ATOM 0 HB2 GLN A 114 -4.683 -6.774 -5.384 1.00 20.64 H new ATOM 0 HB3 GLN A 114 -4.244 -8.072 -6.130 1.00 20.64 H new ATOM 0 HG2 GLN A 114 -4.647 -9.328 -4.177 1.00 21.64 H new ATOM 0 HG3 GLN A 114 -5.090 -8.031 -3.434 1.00 21.64 H new ATOM 0 HE21 GLN A 114 -5.958 -8.584 -6.645 1.00 25.30 H new ATOM 0 HE22 GLN A 114 -7.423 -8.792 -6.472 1.00 25.30 H new ATOM 861 N ILE A 115 -1.267 -6.749 -6.608 1.00 19.19 N ATOM 862 CA ILE A 115 -0.642 -5.829 -7.537 1.00 19.97 C ATOM 863 C ILE A 115 -0.680 -6.424 -8.924 1.00 21.91 C ATOM 864 O ILE A 115 -0.883 -7.623 -9.085 1.00 23.23 O ATOM 865 CB ILE A 115 0.810 -5.564 -7.159 1.00 18.41 C ATOM 866 CG1 ILE A 115 1.612 -6.867 -7.200 1.00 16.34 C ATOM 867 CG2 ILE A 115 0.860 -4.945 -5.774 1.00 20.49 C ATOM 868 CD1 ILE A 115 3.047 -6.709 -6.740 1.00 11.15 C ATOM 0 H ILE A 115 -0.990 -7.562 -6.660 1.00 19.19 H new ATOM 0 HA ILE A 115 -1.129 -4.991 -7.508 1.00 19.97 H new ATOM 0 HB ILE A 115 1.205 -4.948 -7.795 1.00 18.41 H new ATOM 0 HG12 ILE A 115 1.172 -7.527 -6.642 1.00 16.34 H new ATOM 0 HG13 ILE A 115 1.607 -7.213 -8.106 1.00 16.34 H new ATOM 0 HG21 ILE A 115 1.783 -4.774 -5.529 1.00 20.49 H new ATOM 0 HG22 ILE A 115 0.366 -4.110 -5.775 1.00 20.49 H new ATOM 0 HG23 ILE A 115 0.463 -5.555 -5.132 1.00 20.49 H new ATOM 0 HD11 ILE A 115 3.499 -7.566 -6.789 1.00 11.15 H new ATOM 0 HD12 ILE A 115 3.502 -6.071 -7.311 1.00 11.15 H new ATOM 0 HD13 ILE A 115 3.060 -6.389 -5.824 1.00 11.15 H new ATOM 869 N VAL A 116 -0.500 -5.571 -9.924 1.00 23.64 N ATOM 870 CA VAL A 116 -0.488 -5.988 -11.320 1.00 24.45 C ATOM 871 C VAL A 116 0.944 -5.833 -11.780 1.00 24.63 C ATOM 872 O VAL A 116 1.555 -4.784 -11.592 1.00 23.80 O ATOM 873 CB VAL A 116 -1.403 -5.086 -12.188 1.00 25.53 C ATOM 874 CG1 VAL A 116 -1.052 -5.227 -13.655 1.00 27.45 C ATOM 875 CG2 VAL A 116 -2.855 -5.469 -11.976 1.00 26.02 C ATOM 0 H VAL A 116 -0.380 -4.727 -9.811 1.00 23.64 H new ATOM 0 HA VAL A 116 -0.815 -6.897 -11.408 1.00 24.45 H new ATOM 0 HB VAL A 116 -1.268 -4.163 -11.921 1.00 25.53 H new ATOM 0 HG11 VAL A 116 -1.633 -4.657 -14.183 1.00 27.45 H new ATOM 0 HG12 VAL A 116 -0.129 -4.964 -13.794 1.00 27.45 H new ATOM 0 HG13 VAL A 116 -1.170 -6.150 -13.929 1.00 27.45 H new ATOM 0 HG21 VAL A 116 -3.422 -4.902 -12.521 1.00 26.02 H new ATOM 0 HG22 VAL A 116 -2.986 -6.396 -12.230 1.00 26.02 H new ATOM 0 HG23 VAL A 116 -3.087 -5.355 -11.041 1.00 26.02 H new ATOM 876 N THR A 117 1.490 -6.877 -12.376 1.00 26.00 N ATOM 877 CA THR A 117 2.859 -6.791 -12.835 1.00 28.55 C ATOM 878 C THR A 117 2.969 -6.967 -14.355 1.00 29.29 C ATOM 879 O THR A 117 3.424 -7.999 -14.845 1.00 29.61 O ATOM 880 CB THR A 117 3.730 -7.822 -12.087 1.00 29.14 C ATOM 881 OG1 THR A 117 5.083 -7.715 -12.535 1.00 30.47 O ATOM 882 CG2 THR A 117 3.214 -9.233 -12.311 1.00 29.03 C ATOM 0 H THR A 117 1.096 -7.627 -12.522 1.00 26.00 H new ATOM 0 HA THR A 117 3.187 -5.900 -12.635 1.00 28.55 H new ATOM 0 HB THR A 117 3.687 -7.635 -11.136 1.00 29.14 H new ATOM 0 HG1 THR A 117 5.558 -8.275 -12.128 1.00 30.47 H new ATOM 0 HG21 THR A 117 3.776 -9.863 -11.833 1.00 29.03 H new ATOM 0 HG22 THR A 117 2.303 -9.300 -11.985 1.00 29.03 H new ATOM 0 HG23 THR A 117 3.234 -9.438 -13.259 1.00 29.03 H new ATOM 883 N PRO A 118 2.545 -5.947 -15.124 1.00 30.02 N ATOM 884 CA PRO A 118 2.590 -5.981 -16.588 1.00 30.02 C ATOM 885 C PRO A 118 3.949 -5.546 -17.119 1.00 30.15 C ATOM 886 O PRO A 118 4.878 -5.283 -16.351 1.00 29.48 O ATOM 887 CB PRO A 118 1.493 -5.003 -16.976 1.00 30.22 C ATOM 888 CG PRO A 118 1.694 -3.924 -15.964 1.00 30.09 C ATOM 889 CD PRO A 118 1.901 -4.701 -14.661 1.00 29.91 C ATOM 0 HA PRO A 118 2.459 -6.869 -16.956 1.00 30.02 H new ATOM 0 HB2 PRO A 118 1.597 -4.677 -17.884 1.00 30.22 H new ATOM 0 HB3 PRO A 118 0.610 -5.401 -16.917 1.00 30.22 H new ATOM 0 HG2 PRO A 118 2.462 -3.371 -16.177 1.00 30.09 H new ATOM 0 HG3 PRO A 118 0.926 -3.334 -15.911 1.00 30.09 H new ATOM 0 HD2 PRO A 118 2.463 -4.215 -14.037 1.00 29.91 H new ATOM 0 HD3 PRO A 118 1.061 -4.876 -14.209 1.00 29.91 H new ATOM 890 N GLY A 119 4.059 -5.468 -18.439 1.00 30.09 N ATOM 891 CA GLY A 119 5.316 -5.061 -19.032 1.00 30.75 C ATOM 892 C GLY A 119 5.333 -3.564 -19.205 1.00 31.44 C ATOM 893 O GLY A 119 4.308 -2.909 -19.018 1.00 31.13 O ATOM 0 H GLY A 119 3.429 -5.644 -18.997 1.00 30.09 H new ATOM 0 HA2 GLY A 119 6.055 -5.339 -18.468 1.00 30.75 H new ATOM 0 HA3 GLY A 119 5.435 -5.496 -19.891 1.00 30.75 H new ATOM 894 N VAL A 120 6.484 -3.009 -19.558 1.00 32.72 N ATOM 895 CA VAL A 120 6.560 -1.566 -19.751 1.00 35.63 C ATOM 896 C VAL A 120 6.405 -1.177 -21.227 1.00 36.82 C ATOM 897 O VAL A 120 6.981 -1.812 -22.121 1.00 37.11 O ATOM 898 CB VAL A 120 7.900 -0.979 -19.228 1.00 35.91 C ATOM 899 CG1 VAL A 120 7.858 0.543 -19.276 1.00 35.08 C ATOM 900 CG2 VAL A 120 8.158 -1.445 -17.816 1.00 37.12 C ATOM 0 H VAL A 120 7.218 -3.437 -19.689 1.00 32.72 H new ATOM 0 HA VAL A 120 5.824 -1.194 -19.240 1.00 35.63 H new ATOM 0 HB VAL A 120 8.621 -1.292 -19.797 1.00 35.91 H new ATOM 0 HG11 VAL A 120 8.698 0.901 -18.948 1.00 35.08 H new ATOM 0 HG12 VAL A 120 7.718 0.834 -20.191 1.00 35.08 H new ATOM 0 HG13 VAL A 120 7.131 0.865 -18.720 1.00 35.08 H new ATOM 0 HG21 VAL A 120 8.996 -1.073 -17.500 1.00 37.12 H new ATOM 0 HG22 VAL A 120 7.436 -1.149 -17.240 1.00 37.12 H new ATOM 0 HG23 VAL A 120 8.208 -2.414 -17.799 1.00 37.12 H new ATOM 901 N ALA A 121 5.603 -0.141 -21.463 1.00 37.07 N ATOM 902 CA ALA A 121 5.368 0.385 -22.798 1.00 37.10 C ATOM 903 C ALA A 121 5.976 1.783 -22.815 1.00 38.12 C ATOM 904 O ALA A 121 5.519 2.681 -22.102 1.00 37.60 O ATOM 905 CB ALA A 121 3.882 0.451 -23.085 1.00 35.92 C ATOM 0 H ALA A 121 5.177 0.278 -20.844 1.00 37.07 H new ATOM 0 HA ALA A 121 5.766 -0.182 -23.477 1.00 37.10 H new ATOM 0 HB1 ALA A 121 3.740 0.803 -23.978 1.00 35.92 H new ATOM 0 HB2 ALA A 121 3.501 -0.439 -23.025 1.00 35.92 H new ATOM 0 HB3 ALA A 121 3.453 1.031 -22.437 1.00 35.92 H new ATOM 906 N VAL A 122 7.023 1.953 -23.615 1.00 39.79 N ATOM 907 CA VAL A 122 7.705 3.233 -23.722 1.00 41.62 C ATOM 908 C VAL A 122 7.152 4.035 -24.891 1.00 43.52 C ATOM 909 O VAL A 122 7.139 3.560 -26.023 1.00 44.08 O ATOM 910 CB VAL A 122 9.215 3.040 -23.947 1.00 41.04 C ATOM 911 CG1 VAL A 122 9.902 4.386 -23.998 1.00 40.71 C ATOM 912 CG2 VAL A 122 9.804 2.177 -22.847 1.00 41.14 C ATOM 0 H VAL A 122 7.355 1.332 -24.108 1.00 39.79 H new ATOM 0 HA VAL A 122 7.557 3.707 -22.889 1.00 41.62 H new ATOM 0 HB VAL A 122 9.355 2.588 -24.794 1.00 41.04 H new ATOM 0 HG11 VAL A 122 10.853 4.259 -24.140 1.00 40.71 H new ATOM 0 HG12 VAL A 122 9.534 4.910 -24.727 1.00 40.71 H new ATOM 0 HG13 VAL A 122 9.760 4.854 -23.160 1.00 40.71 H new ATOM 0 HG21 VAL A 122 10.755 2.063 -22.999 1.00 41.14 H new ATOM 0 HG22 VAL A 122 9.664 2.606 -21.989 1.00 41.14 H new ATOM 0 HG23 VAL A 122 9.370 1.309 -22.849 1.00 41.14 H new ATOM 913 N VAL A 123 6.689 5.249 -24.614 1.00 46.11 N ATOM 914 CA VAL A 123 6.153 6.104 -25.662 1.00 48.97 C ATOM 915 C VAL A 123 7.234 7.104 -26.036 1.00 51.70 C ATOM 916 O VAL A 123 8.259 7.194 -25.361 1.00 51.17 O ATOM 917 CB VAL A 123 4.899 6.878 -25.196 1.00 48.53 C ATOM 918 CG1 VAL A 123 5.297 7.991 -24.259 1.00 48.34 C ATOM 919 CG2 VAL A 123 4.157 7.443 -26.396 1.00 48.03 C ATOM 0 H VAL A 123 6.677 5.595 -23.827 1.00 46.11 H new ATOM 0 HA VAL A 123 5.893 5.550 -26.414 1.00 48.97 H new ATOM 0 HB VAL A 123 4.310 6.268 -24.725 1.00 48.53 H new ATOM 0 HG11 VAL A 123 4.505 8.471 -23.972 1.00 48.34 H new ATOM 0 HG12 VAL A 123 5.747 7.617 -23.485 1.00 48.34 H new ATOM 0 HG13 VAL A 123 5.896 8.601 -24.717 1.00 48.34 H new ATOM 0 HG21 VAL A 123 3.372 7.926 -26.093 1.00 48.03 H new ATOM 0 HG22 VAL A 123 4.740 8.046 -26.883 1.00 48.03 H new ATOM 0 HG23 VAL A 123 3.884 6.717 -26.979 1.00 48.03 H new ATOM 920 N LEU A 124 6.991 7.851 -27.109 1.00 55.91 N ATOM 921 CA LEU A 124 7.930 8.853 -27.614 1.00 59.98 C ATOM 922 C LEU A 124 8.973 8.145 -28.487 1.00 61.73 C ATOM 923 O LEU A 124 10.098 8.628 -28.655 1.00 62.31 O ATOM 924 CB LEU A 124 8.608 9.597 -26.443 1.00 60.90 C ATOM 925 CG LEU A 124 9.297 10.943 -26.714 1.00 61.99 C ATOM 926 CD1 LEU A 124 8.281 11.930 -27.287 1.00 62.50 C ATOM 927 CD2 LEU A 124 9.899 11.491 -25.423 1.00 61.30 C ATOM 0 H LEU A 124 6.268 7.791 -27.571 1.00 55.91 H new ATOM 0 HA LEU A 124 7.456 9.513 -28.144 1.00 59.98 H new ATOM 0 HB2 LEU A 124 7.934 9.745 -25.761 1.00 60.90 H new ATOM 0 HB3 LEU A 124 9.271 9.000 -26.062 1.00 60.90 H new ATOM 0 HG LEU A 124 10.012 10.815 -27.357 1.00 61.99 H new ATOM 0 HD11 LEU A 124 8.716 12.780 -27.458 1.00 62.50 H new ATOM 0 HD12 LEU A 124 7.921 11.579 -28.116 1.00 62.50 H new ATOM 0 HD13 LEU A 124 7.560 12.059 -26.651 1.00 62.50 H new ATOM 0 HD21 LEU A 124 10.332 12.340 -25.603 1.00 61.30 H new ATOM 0 HD22 LEU A 124 9.196 11.619 -24.767 1.00 61.30 H new ATOM 0 HD23 LEU A 124 10.552 10.862 -25.078 1.00 61.30 H new ATOM 928 N ASP A 125 8.573 7.000 -29.042 1.00 63.67 N ATOM 929 CA ASP A 125 9.430 6.179 -29.898 1.00 66.09 C ATOM 930 C ASP A 125 10.453 5.429 -29.046 1.00 66.19 C ATOM 931 O ASP A 125 11.661 5.754 -29.130 1.00 65.93 O ATOM 932 CB ASP A 125 10.150 7.046 -30.952 1.00 69.00 C ATOM 933 CG ASP A 125 10.764 6.215 -32.096 1.00 71.02 C ATOM 934 OD1 ASP A 125 11.521 6.791 -32.918 1.00 71.55 O ATOM 935 OD2 ASP A 125 10.484 4.995 -32.178 1.00 71.99 O ATOM 0 H ASP A 125 7.785 6.674 -28.930 1.00 63.67 H new ATOM 0 HA ASP A 125 8.871 5.538 -30.364 1.00 66.09 H new ATOM 0 HB2 ASP A 125 9.521 7.684 -31.324 1.00 69.00 H new ATOM 0 HB3 ASP A 125 10.851 7.558 -30.519 1.00 69.00 H new TER 936 ASP A 125 ATOM 937 N MET B 1 -6.175 24.908 58.905 1.00 65.04 N ATOM 938 CA MET B 1 -6.625 24.335 57.600 1.00 65.73 C ATOM 939 C MET B 1 -5.705 23.202 57.147 1.00 64.31 C ATOM 940 O MET B 1 -4.667 23.450 56.523 1.00 64.44 O ATOM 941 CB MET B 1 -6.669 25.432 56.525 1.00 67.11 C ATOM 942 CG MET B 1 -7.821 26.411 56.691 1.00 69.85 C ATOM 943 SD MET B 1 -7.953 27.057 58.385 1.00 73.43 S ATOM 944 CE MET B 1 -9.132 25.868 59.114 1.00 70.19 C ATOM 0 H1 MET B 1 -6.579 25.689 59.042 1.00 65.04 H new ATOM 0 H2 MET B 1 -6.384 24.347 59.564 1.00 65.04 H new ATOM 0 H3 MET B 1 -5.294 25.030 58.888 1.00 65.04 H new ATOM 0 HA MET B 1 -7.516 23.972 57.725 1.00 65.73 H new ATOM 0 HB2 MET B 1 -5.833 25.924 56.543 1.00 67.11 H new ATOM 0 HB3 MET B 1 -6.734 25.015 55.652 1.00 67.11 H new ATOM 0 HG2 MET B 1 -7.703 27.151 56.075 1.00 69.85 H new ATOM 0 HG3 MET B 1 -8.652 25.971 56.451 1.00 69.85 H new ATOM 0 HE1 MET B 1 -9.901 26.346 59.462 1.00 70.19 H new ATOM 0 HE2 MET B 1 -9.422 25.241 58.433 1.00 70.19 H new ATOM 0 HE3 MET B 1 -8.700 25.384 59.835 1.00 70.19 H new ATOM 945 N SER B 2 -6.092 21.966 57.469 1.00 61.97 N ATOM 946 CA SER B 2 -5.313 20.791 57.098 1.00 59.18 C ATOM 947 C SER B 2 -4.686 21.018 55.726 1.00 57.45 C ATOM 948 O SER B 2 -3.503 21.344 55.625 1.00 56.90 O ATOM 949 CB SER B 2 -6.208 19.543 57.068 1.00 59.67 C ATOM 950 OG SER B 2 -7.205 19.626 56.061 1.00 58.36 O ATOM 0 H SER B 2 -6.811 21.789 57.907 1.00 61.97 H new ATOM 0 HA SER B 2 -4.614 20.650 57.756 1.00 59.18 H new ATOM 0 HB2 SER B 2 -5.660 18.757 56.915 1.00 59.67 H new ATOM 0 HB3 SER B 2 -6.632 19.430 57.933 1.00 59.67 H new ATOM 0 HG SER B 2 -7.673 18.929 56.072 1.00 58.36 H new ATOM 951 N SER B 3 -5.495 20.855 54.681 1.00 55.14 N ATOM 952 CA SER B 3 -5.063 21.050 53.300 1.00 52.51 C ATOM 953 C SER B 3 -3.766 20.351 52.909 1.00 50.53 C ATOM 954 O SER B 3 -3.040 19.809 53.746 1.00 50.18 O ATOM 955 CB SER B 3 -4.933 22.541 53.001 1.00 52.28 C ATOM 956 OG SER B 3 -6.186 23.181 53.133 1.00 53.40 O ATOM 0 H SER B 3 -6.320 20.625 54.756 1.00 55.14 H new ATOM 0 HA SER B 3 -5.757 20.633 52.765 1.00 52.51 H new ATOM 0 HB2 SER B 3 -4.292 22.944 53.608 1.00 52.28 H new ATOM 0 HB3 SER B 3 -4.591 22.668 52.102 1.00 52.28 H new ATOM 0 HG SER B 3 -6.101 24.000 52.968 1.00 53.40 H new ATOM 957 N LEU B 4 -3.480 20.381 51.617 1.00 47.83 N ATOM 958 CA LEU B 4 -2.286 19.752 51.094 1.00 46.04 C ATOM 959 C LEU B 4 -1.415 20.819 50.444 1.00 45.09 C ATOM 960 O LEU B 4 -1.662 21.224 49.306 1.00 44.49 O ATOM 961 CB LEU B 4 -2.693 18.688 50.071 1.00 45.91 C ATOM 962 CG LEU B 4 -1.602 17.857 49.399 1.00 45.59 C ATOM 963 CD1 LEU B 4 -0.841 17.046 50.444 1.00 46.51 C ATOM 964 CD2 LEU B 4 -2.239 16.950 48.365 1.00 45.46 C ATOM 0 H LEU B 4 -3.970 20.765 51.024 1.00 47.83 H new ATOM 0 HA LEU B 4 -1.783 19.325 51.805 1.00 46.04 H new ATOM 0 HB2 LEU B 4 -3.300 18.074 50.512 1.00 45.91 H new ATOM 0 HB3 LEU B 4 -3.197 19.131 49.371 1.00 45.91 H new ATOM 0 HG LEU B 4 -0.967 18.442 48.957 1.00 45.59 H new ATOM 0 HD11 LEU B 4 -0.151 16.522 50.008 1.00 46.51 H new ATOM 0 HD12 LEU B 4 -0.432 17.647 51.086 1.00 46.51 H new ATOM 0 HD13 LEU B 4 -1.455 16.452 50.903 1.00 46.51 H new ATOM 0 HD21 LEU B 4 -1.552 16.418 47.933 1.00 45.46 H new ATOM 0 HD22 LEU B 4 -2.877 16.362 48.799 1.00 45.46 H new ATOM 0 HD23 LEU B 4 -2.696 17.488 47.700 1.00 45.46 H new ATOM 965 N LEU B 5 -0.402 21.290 51.164 1.00 44.53 N ATOM 966 CA LEU B 5 0.466 22.311 50.600 1.00 44.92 C ATOM 967 C LEU B 5 1.427 21.642 49.626 1.00 44.73 C ATOM 968 O LEU B 5 2.363 20.960 50.036 1.00 44.51 O ATOM 969 CB LEU B 5 1.234 23.064 51.706 1.00 45.54 C ATOM 970 CG LEU B 5 2.061 24.309 51.302 1.00 46.06 C ATOM 971 CD1 LEU B 5 1.210 25.307 50.525 1.00 45.00 C ATOM 972 CD2 LEU B 5 2.622 24.981 52.542 1.00 45.92 C ATOM 0 H LEU B 5 -0.205 21.038 51.962 1.00 44.53 H new ATOM 0 HA LEU B 5 -0.070 22.970 50.131 1.00 44.92 H new ATOM 0 HB2 LEU B 5 0.591 23.340 52.378 1.00 45.54 H new ATOM 0 HB3 LEU B 5 1.836 22.433 52.131 1.00 45.54 H new ATOM 0 HG LEU B 5 2.788 24.014 50.731 1.00 46.06 H new ATOM 0 HD11 LEU B 5 1.751 26.076 50.285 1.00 45.00 H new ATOM 0 HD12 LEU B 5 0.871 24.886 49.719 1.00 45.00 H new ATOM 0 HD13 LEU B 5 0.466 25.596 51.076 1.00 45.00 H new ATOM 0 HD21 LEU B 5 3.139 25.760 52.282 1.00 45.92 H new ATOM 0 HD22 LEU B 5 1.893 25.255 53.120 1.00 45.92 H new ATOM 0 HD23 LEU B 5 3.194 24.358 53.017 1.00 45.92 H new ATOM 973 N VAL B 6 1.164 21.835 48.334 1.00 44.79 N ATOM 974 CA VAL B 6 1.973 21.270 47.256 1.00 44.94 C ATOM 975 C VAL B 6 2.874 22.340 46.640 1.00 45.10 C ATOM 976 O VAL B 6 2.414 23.175 45.857 1.00 45.10 O ATOM 977 CB VAL B 6 1.074 20.715 46.146 1.00 45.11 C ATOM 978 CG1 VAL B 6 1.922 20.099 45.051 1.00 45.23 C ATOM 979 CG2 VAL B 6 0.114 19.702 46.724 1.00 45.85 C ATOM 0 H VAL B 6 0.500 22.305 48.056 1.00 44.79 H new ATOM 0 HA VAL B 6 2.513 20.560 47.638 1.00 44.94 H new ATOM 0 HB VAL B 6 0.558 21.438 45.757 1.00 45.11 H new ATOM 0 HG11 VAL B 6 1.346 19.750 44.353 1.00 45.23 H new ATOM 0 HG12 VAL B 6 2.509 20.775 44.678 1.00 45.23 H new ATOM 0 HG13 VAL B 6 2.454 19.377 45.421 1.00 45.23 H new ATOM 0 HG21 VAL B 6 -0.453 19.354 46.018 1.00 45.85 H new ATOM 0 HG22 VAL B 6 0.614 18.974 47.125 1.00 45.85 H new ATOM 0 HG23 VAL B 6 -0.437 20.127 47.400 1.00 45.85 H new ATOM 980 N LYS B 7 4.158 22.304 46.980 1.00 44.71 N ATOM 981 CA LYS B 7 5.113 23.286 46.474 1.00 44.33 C ATOM 982 C LYS B 7 5.860 22.807 45.221 1.00 43.68 C ATOM 983 O LYS B 7 6.902 22.149 45.323 1.00 43.40 O ATOM 984 CB LYS B 7 6.110 23.640 47.593 1.00 45.36 C ATOM 985 CG LYS B 7 7.163 24.698 47.236 1.00 47.83 C ATOM 986 CD LYS B 7 8.135 24.976 48.406 1.00 48.43 C ATOM 987 CE LYS B 7 9.226 25.981 48.007 1.00 48.98 C ATOM 988 NZ LYS B 7 10.187 26.271 49.111 1.00 48.69 N ATOM 0 H LYS B 7 4.499 21.715 47.506 1.00 44.71 H new ATOM 0 HA LYS B 7 4.613 24.073 46.206 1.00 44.33 H new ATOM 0 HB2 LYS B 7 5.609 23.953 48.363 1.00 45.36 H new ATOM 0 HB3 LYS B 7 6.569 22.829 47.863 1.00 45.36 H new ATOM 0 HG2 LYS B 7 7.668 24.401 46.463 1.00 47.83 H new ATOM 0 HG3 LYS B 7 6.718 25.523 46.985 1.00 47.83 H new ATOM 0 HD2 LYS B 7 7.639 25.320 49.165 1.00 48.43 H new ATOM 0 HD3 LYS B 7 8.547 24.145 48.690 1.00 48.43 H new ATOM 0 HE2 LYS B 7 9.714 25.634 47.244 1.00 48.98 H new ATOM 0 HE3 LYS B 7 8.807 26.809 47.724 1.00 48.98 H new ATOM 0 HZ1 LYS B 7 10.796 26.856 48.829 1.00 48.69 H new ATOM 0 HZ2 LYS B 7 9.747 26.612 49.806 1.00 48.69 H new ATOM 0 HZ3 LYS B 7 10.592 25.518 49.358 1.00 48.69 H new ATOM 989 N LYS B 8 5.328 23.135 44.042 1.00 42.69 N ATOM 990 CA LYS B 8 5.970 22.738 42.787 1.00 42.13 C ATOM 991 C LYS B 8 7.457 23.116 42.815 1.00 42.48 C ATOM 992 O LYS B 8 7.812 24.199 43.276 1.00 43.18 O ATOM 993 CB LYS B 8 5.279 23.412 41.597 1.00 40.87 C ATOM 994 CG LYS B 8 3.907 22.844 41.248 1.00 40.53 C ATOM 995 CD LYS B 8 3.408 23.416 39.918 1.00 40.62 C ATOM 996 CE LYS B 8 2.232 22.628 39.320 1.00 40.91 C ATOM 997 NZ LYS B 8 0.939 22.734 40.060 1.00 40.19 N ATOM 0 H LYS B 8 4.601 23.584 43.947 1.00 42.69 H new ATOM 0 HA LYS B 8 5.890 21.776 42.688 1.00 42.13 H new ATOM 0 HB2 LYS B 8 5.184 24.358 41.788 1.00 40.87 H new ATOM 0 HB3 LYS B 8 5.854 23.336 40.820 1.00 40.87 H new ATOM 0 HG2 LYS B 8 3.957 21.877 41.191 1.00 40.53 H new ATOM 0 HG3 LYS B 8 3.275 23.055 41.953 1.00 40.53 H new ATOM 0 HD2 LYS B 8 3.137 24.338 40.051 1.00 40.62 H new ATOM 0 HD3 LYS B 8 4.140 23.425 39.282 1.00 40.62 H new ATOM 0 HE2 LYS B 8 2.091 22.931 38.410 1.00 40.91 H new ATOM 0 HE3 LYS B 8 2.482 21.692 39.272 1.00 40.91 H new ATOM 0 HZ1 LYS B 8 0.299 22.322 39.600 1.00 40.19 H new ATOM 0 HZ2 LYS B 8 1.022 22.352 40.860 1.00 40.19 H new ATOM 0 HZ3 LYS B 8 0.725 23.592 40.162 1.00 40.19 H new ATOM 998 N LEU B 9 8.329 22.229 42.338 1.00 42.46 N ATOM 999 CA LEU B 9 9.766 22.507 42.344 1.00 42.39 C ATOM 1000 C LEU B 9 10.369 22.677 40.952 1.00 42.77 C ATOM 1001 O LEU B 9 11.518 23.088 40.813 1.00 41.93 O ATOM 1002 CB LEU B 9 10.522 21.412 43.109 1.00 41.40 C ATOM 1003 CG LEU B 9 10.224 21.265 44.607 1.00 40.97 C ATOM 1004 CD1 LEU B 9 11.138 20.207 45.201 1.00 40.42 C ATOM 1005 CD2 LEU B 9 10.433 22.591 45.323 1.00 40.20 C ATOM 0 H LEU B 9 8.112 21.465 42.008 1.00 42.46 H new ATOM 0 HA LEU B 9 9.868 23.360 42.794 1.00 42.39 H new ATOM 0 HB2 LEU B 9 10.334 20.562 42.681 1.00 41.40 H new ATOM 0 HB3 LEU B 9 11.472 21.576 43.007 1.00 41.40 H new ATOM 0 HG LEU B 9 9.299 20.996 44.721 1.00 40.97 H new ATOM 0 HD11 LEU B 9 10.951 20.113 46.148 1.00 40.42 H new ATOM 0 HD12 LEU B 9 10.984 19.359 44.755 1.00 40.42 H new ATOM 0 HD13 LEU B 9 12.063 20.473 45.079 1.00 40.42 H new ATOM 0 HD21 LEU B 9 10.241 22.483 46.268 1.00 40.20 H new ATOM 0 HD22 LEU B 9 11.353 22.878 45.211 1.00 40.20 H new ATOM 0 HD23 LEU B 9 9.838 23.259 44.947 1.00 40.20 H new ATOM 1006 N VAL B 10 9.598 22.348 39.924 1.00 44.02 N ATOM 1007 CA VAL B 10 10.048 22.503 38.543 1.00 45.97 C ATOM 1008 C VAL B 10 8.830 22.849 37.703 1.00 47.33 C ATOM 1009 O VAL B 10 7.711 22.456 38.028 1.00 47.64 O ATOM 1010 CB VAL B 10 10.695 21.211 37.973 1.00 45.78 C ATOM 1011 CG1 VAL B 10 11.831 20.758 38.866 1.00 45.72 C ATOM 1012 CG2 VAL B 10 9.653 20.118 37.823 1.00 46.68 C ATOM 0 H VAL B 10 8.803 22.030 40.004 1.00 44.02 H new ATOM 0 HA VAL B 10 10.725 23.197 38.518 1.00 45.97 H new ATOM 0 HB VAL B 10 11.057 21.403 37.094 1.00 45.78 H new ATOM 0 HG11 VAL B 10 12.228 19.951 38.501 1.00 45.72 H new ATOM 0 HG12 VAL B 10 12.503 21.455 38.913 1.00 45.72 H new ATOM 0 HG13 VAL B 10 11.491 20.577 39.756 1.00 45.72 H new ATOM 0 HG21 VAL B 10 10.071 19.319 37.467 1.00 46.68 H new ATOM 0 HG22 VAL B 10 9.264 19.920 38.689 1.00 46.68 H new ATOM 0 HG23 VAL B 10 8.957 20.416 37.217 1.00 46.68 H new ATOM 1013 N GLU B 11 9.046 23.591 36.628 1.00 49.34 N ATOM 1014 CA GLU B 11 7.953 23.990 35.749 1.00 51.79 C ATOM 1015 C GLU B 11 6.993 22.850 35.356 1.00 51.08 C ATOM 1016 O GLU B 11 5.766 22.988 35.480 1.00 50.66 O ATOM 1017 CB GLU B 11 8.534 24.666 34.489 1.00 54.84 C ATOM 1018 CG GLU B 11 9.824 24.024 33.929 1.00 58.88 C ATOM 1019 CD GLU B 11 9.570 22.886 32.936 1.00 61.58 C ATOM 1020 OE1 GLU B 11 10.551 22.228 32.508 1.00 62.84 O ATOM 1021 OE2 GLU B 11 8.394 22.651 32.574 1.00 63.67 O ATOM 0 H GLU B 11 9.821 23.876 36.387 1.00 49.34 H new ATOM 0 HA GLU B 11 7.409 24.612 36.256 1.00 51.79 H new ATOM 0 HB2 GLU B 11 7.858 24.656 33.794 1.00 54.84 H new ATOM 0 HB3 GLU B 11 8.716 25.596 34.694 1.00 54.84 H new ATOM 0 HG2 GLU B 11 10.353 24.710 33.493 1.00 58.88 H new ATOM 0 HG3 GLU B 11 10.353 23.685 34.668 1.00 58.88 H new ATOM 1022 N SER B 12 7.564 21.732 34.901 1.00 50.15 N ATOM 1023 CA SER B 12 6.803 20.563 34.456 1.00 48.68 C ATOM 1024 C SER B 12 5.848 19.991 35.498 1.00 47.51 C ATOM 1025 O SER B 12 4.642 19.885 35.250 1.00 46.59 O ATOM 1026 CB SER B 12 7.770 19.470 33.969 1.00 49.37 C ATOM 1027 OG SER B 12 8.854 19.285 34.866 1.00 49.18 O ATOM 0 H SER B 12 8.416 21.631 34.842 1.00 50.15 H new ATOM 0 HA SER B 12 6.239 20.873 33.731 1.00 48.68 H new ATOM 0 HB2 SER B 12 7.288 18.634 33.868 1.00 49.37 H new ATOM 0 HB3 SER B 12 8.112 19.708 33.093 1.00 49.37 H new ATOM 0 HG SER B 12 9.486 18.903 34.466 1.00 49.18 H new ATOM 1028 N ALA B 13 6.400 19.625 36.653 1.00 46.39 N ATOM 1029 CA ALA B 13 5.642 19.061 37.774 1.00 45.78 C ATOM 1030 C ALA B 13 4.136 19.353 37.751 1.00 45.05 C ATOM 1031 O ALA B 13 3.721 20.509 37.656 1.00 45.52 O ATOM 1032 CB ALA B 13 6.239 19.557 39.090 1.00 45.02 C ATOM 0 H ALA B 13 7.242 19.698 36.812 1.00 46.39 H new ATOM 0 HA ALA B 13 5.721 18.098 37.687 1.00 45.78 H new ATOM 0 HB1 ALA B 13 5.739 19.185 39.833 1.00 45.02 H new ATOM 0 HB2 ALA B 13 7.165 19.276 39.151 1.00 45.02 H new ATOM 0 HB3 ALA B 13 6.192 20.525 39.122 1.00 45.02 H new ATOM 1033 N THR B 14 3.324 18.302 37.842 1.00 43.85 N ATOM 1034 CA THR B 14 1.870 18.456 37.847 1.00 43.26 C ATOM 1035 C THR B 14 1.409 18.679 39.286 1.00 43.85 C ATOM 1036 O THR B 14 2.196 18.545 40.218 1.00 44.32 O ATOM 1037 CB THR B 14 1.169 17.199 37.292 1.00 42.23 C ATOM 1038 OG1 THR B 14 1.696 16.890 35.999 1.00 41.13 O ATOM 1039 CG2 THR B 14 -0.330 17.431 37.168 1.00 41.75 C ATOM 0 H THR B 14 3.596 17.488 37.902 1.00 43.85 H new ATOM 0 HA THR B 14 1.638 19.210 37.283 1.00 43.26 H new ATOM 0 HB THR B 14 1.328 16.464 37.905 1.00 42.23 H new ATOM 0 HG1 THR B 14 1.315 16.205 35.697 1.00 41.13 H new ATOM 0 HG21 THR B 14 -0.754 16.632 36.818 1.00 41.75 H new ATOM 0 HG22 THR B 14 -0.699 17.636 38.041 1.00 41.75 H new ATOM 0 HG23 THR B 14 -0.494 18.173 36.566 1.00 41.75 H new ATOM 1040 N THR B 15 0.138 19.014 39.474 1.00 44.46 N ATOM 1041 CA THR B 15 -0.375 19.249 40.818 1.00 45.33 C ATOM 1042 C THR B 15 -1.354 18.171 41.316 1.00 44.87 C ATOM 1043 O THR B 15 -2.445 17.994 40.761 1.00 45.06 O ATOM 1044 CB THR B 15 -1.042 20.647 40.904 1.00 46.40 C ATOM 1045 OG1 THR B 15 -1.715 20.792 42.165 1.00 46.60 O ATOM 1046 CG2 THR B 15 -2.023 20.837 39.756 1.00 47.91 C ATOM 0 H THR B 15 -0.439 19.110 38.844 1.00 44.46 H new ATOM 0 HA THR B 15 0.396 19.206 41.405 1.00 45.33 H new ATOM 0 HB THR B 15 -0.354 21.327 40.836 1.00 46.40 H new ATOM 0 HG1 THR B 15 -2.073 21.551 42.206 1.00 46.60 H new ATOM 0 HG21 THR B 15 -2.432 21.714 39.822 1.00 47.91 H new ATOM 0 HG22 THR B 15 -1.551 20.763 38.912 1.00 47.91 H new ATOM 0 HG23 THR B 15 -2.711 20.155 39.802 1.00 47.91 H new ATOM 1047 N PRO B 16 -0.964 17.439 42.379 1.00 44.12 N ATOM 1048 CA PRO B 16 -1.750 16.369 43.004 1.00 43.89 C ATOM 1049 C PRO B 16 -3.253 16.631 43.038 1.00 44.01 C ATOM 1050 O PRO B 16 -3.753 17.372 43.875 1.00 44.20 O ATOM 1051 CB PRO B 16 -1.140 16.279 44.393 1.00 43.88 C ATOM 1052 CG PRO B 16 0.314 16.487 44.099 1.00 43.38 C ATOM 1053 CD PRO B 16 0.312 17.631 43.098 1.00 43.46 C ATOM 0 HA PRO B 16 -1.703 15.541 42.502 1.00 43.89 H new ATOM 0 HB2 PRO B 16 -1.492 16.958 44.990 1.00 43.88 H new ATOM 0 HB3 PRO B 16 -1.308 15.419 44.810 1.00 43.88 H new ATOM 0 HG2 PRO B 16 0.812 16.714 44.900 1.00 43.38 H new ATOM 0 HG3 PRO B 16 0.722 15.689 43.728 1.00 43.38 H new ATOM 0 HD2 PRO B 16 0.350 18.494 43.539 1.00 43.46 H new ATOM 0 HD3 PRO B 16 1.073 17.585 42.498 1.00 43.46 H new ATOM 1054 N MET B 17 -3.965 15.996 42.120 1.00 44.80 N ATOM 1055 CA MET B 17 -5.407 16.146 42.006 1.00 46.04 C ATOM 1056 C MET B 17 -6.074 14.763 42.079 1.00 44.84 C ATOM 1057 O MET B 17 -5.459 13.761 41.712 1.00 44.73 O ATOM 1058 CB MET B 17 -5.709 16.825 40.670 1.00 49.50 C ATOM 1059 CG MET B 17 -7.173 16.904 40.287 1.00 54.53 C ATOM 1060 SD MET B 17 -7.351 17.393 38.541 1.00 60.62 S ATOM 1061 CE MET B 17 -7.510 15.735 37.684 1.00 58.43 C ATOM 0 H MET B 17 -3.622 15.461 41.540 1.00 44.80 H new ATOM 0 HA MET B 17 -5.756 16.688 42.731 1.00 46.04 H new ATOM 0 HB2 MET B 17 -5.350 17.726 40.696 1.00 49.50 H new ATOM 0 HB3 MET B 17 -5.234 16.350 39.970 1.00 49.50 H new ATOM 0 HG2 MET B 17 -7.598 16.044 40.433 1.00 54.53 H new ATOM 0 HG3 MET B 17 -7.628 17.545 40.856 1.00 54.53 H new ATOM 0 HE1 MET B 17 -7.612 15.872 36.729 1.00 58.43 H new ATOM 0 HE2 MET B 17 -6.714 15.207 37.851 1.00 58.43 H new ATOM 0 HE3 MET B 17 -8.286 15.266 38.028 1.00 58.43 H new ATOM 1062 N ARG B 18 -7.317 14.705 42.557 1.00 43.29 N ATOM 1063 CA ARG B 18 -8.048 13.434 42.662 1.00 42.20 C ATOM 1064 C ARG B 18 -8.951 13.243 41.444 1.00 42.48 C ATOM 1065 O ARG B 18 -10.028 13.829 41.365 1.00 43.22 O ATOM 1066 CB ARG B 18 -8.907 13.413 43.925 1.00 40.31 C ATOM 1067 CG ARG B 18 -8.140 13.543 45.219 1.00 37.91 C ATOM 1068 CD ARG B 18 -9.067 14.036 46.296 1.00 36.27 C ATOM 1069 NE ARG B 18 -10.266 13.210 46.387 1.00 35.67 N ATOM 1070 CZ ARG B 18 -11.480 13.682 46.664 1.00 35.32 C ATOM 1071 NH1 ARG B 18 -12.517 12.860 46.738 1.00 34.39 N ATOM 1072 NH2 ARG B 18 -11.662 14.982 46.851 1.00 36.07 N ATOM 0 H ARG B 18 -7.759 15.391 42.828 1.00 43.29 H new ATOM 0 HA ARG B 18 -7.398 12.715 42.703 1.00 42.20 H new ATOM 0 HB2 ARG B 18 -9.553 14.135 43.873 1.00 40.31 H new ATOM 0 HB3 ARG B 18 -9.410 12.584 43.944 1.00 40.31 H new ATOM 0 HG2 ARG B 18 -7.761 12.686 45.471 1.00 37.91 H new ATOM 0 HG3 ARG B 18 -7.399 14.159 45.108 1.00 37.91 H new ATOM 0 HD2 ARG B 18 -8.605 14.033 47.149 1.00 36.27 H new ATOM 0 HD3 ARG B 18 -9.318 14.955 46.113 1.00 36.27 H new ATOM 0 HE ARG B 18 -10.184 12.364 46.253 1.00 35.67 H new ATOM 0 HH11 ARG B 18 -12.408 12.017 46.607 1.00 34.39 H new ATOM 0 HH12 ARG B 18 -13.299 13.170 46.917 1.00 34.39 H new ATOM 0 HH21 ARG B 18 -10.995 15.522 46.793 1.00 36.07 H new ATOM 0 HH22 ARG B 18 -12.447 15.285 47.030 1.00 36.07 H new ATOM 1073 N GLY B 19 -8.520 12.407 40.506 1.00 42.54 N ATOM 1074 CA GLY B 19 -9.291 12.186 39.295 1.00 42.09 C ATOM 1075 C GLY B 19 -10.709 11.681 39.470 1.00 41.28 C ATOM 1076 O GLY B 19 -11.376 11.354 38.492 1.00 41.48 O ATOM 0 H GLY B 19 -7.786 11.961 40.553 1.00 42.54 H new ATOM 0 HA2 GLY B 19 -9.326 13.021 38.802 1.00 42.09 H new ATOM 0 HA3 GLY B 19 -8.810 11.551 38.742 1.00 42.09 H new ATOM 1077 N SER B 20 -11.185 11.619 40.704 1.00 40.72 N ATOM 1078 CA SER B 20 -12.530 11.128 40.947 1.00 40.88 C ATOM 1079 C SER B 20 -13.152 11.822 42.141 1.00 40.91 C ATOM 1080 O SER B 20 -12.455 12.359 42.998 1.00 40.41 O ATOM 1081 CB SER B 20 -12.501 9.615 41.178 1.00 41.64 C ATOM 1082 OG SER B 20 -13.804 9.102 41.373 1.00 40.74 O ATOM 0 H SER B 20 -10.750 11.854 41.408 1.00 40.72 H new ATOM 0 HA SER B 20 -13.071 11.322 40.166 1.00 40.88 H new ATOM 0 HB2 SER B 20 -12.089 9.177 40.417 1.00 41.64 H new ATOM 0 HB3 SER B 20 -11.952 9.414 41.952 1.00 41.64 H new ATOM 0 HG SER B 20 -13.763 8.272 41.496 1.00 40.74 H new ATOM 1083 N GLU B 21 -14.474 11.800 42.195 1.00 41.55 N ATOM 1084 CA GLU B 21 -15.187 12.448 43.276 1.00 42.29 C ATOM 1085 C GLU B 21 -14.955 11.742 44.595 1.00 40.78 C ATOM 1086 O GLU B 21 -14.656 12.378 45.601 1.00 40.71 O ATOM 1087 CB GLU B 21 -16.681 12.473 42.972 1.00 45.79 C ATOM 1088 CG GLU B 21 -17.451 13.505 43.787 1.00 50.99 C ATOM 1089 CD GLU B 21 -17.029 14.939 43.464 1.00 53.70 C ATOM 1090 OE1 GLU B 21 -15.847 15.281 43.708 1.00 55.11 O ATOM 1091 OE2 GLU B 21 -17.880 15.718 42.963 1.00 54.84 O ATOM 0 H GLU B 21 -14.976 11.414 41.613 1.00 41.55 H new ATOM 0 HA GLU B 21 -14.850 13.354 43.351 1.00 42.29 H new ATOM 0 HB2 GLU B 21 -16.808 12.657 42.028 1.00 45.79 H new ATOM 0 HB3 GLU B 21 -17.053 11.594 43.143 1.00 45.79 H new ATOM 0 HG2 GLU B 21 -18.401 13.404 43.617 1.00 50.99 H new ATOM 0 HG3 GLU B 21 -17.313 13.335 44.732 1.00 50.99 H new ATOM 1092 N GLY B 22 -15.097 10.422 44.582 1.00 39.59 N ATOM 1093 CA GLY B 22 -14.919 9.641 45.794 1.00 38.56 C ATOM 1094 C GLY B 22 -13.527 9.066 45.952 1.00 37.24 C ATOM 1095 O GLY B 22 -13.286 8.235 46.833 1.00 37.37 O ATOM 0 H GLY B 22 -15.296 9.962 43.883 1.00 39.59 H new ATOM 0 HA2 GLY B 22 -15.118 10.200 46.561 1.00 38.56 H new ATOM 0 HA3 GLY B 22 -15.562 8.915 45.798 1.00 38.56 H new ATOM 1096 N ALA B 23 -12.615 9.514 45.095 1.00 35.54 N ATOM 1097 CA ALA B 23 -11.231 9.060 45.122 1.00 34.45 C ATOM 1098 C ALA B 23 -10.696 8.965 46.555 1.00 33.87 C ATOM 1099 O ALA B 23 -11.259 9.560 47.479 1.00 33.43 O ATOM 1100 CB ALA B 23 -10.363 10.008 44.299 1.00 34.40 C ATOM 0 H ALA B 23 -12.783 10.091 44.480 1.00 35.54 H new ATOM 0 HA ALA B 23 -11.198 8.170 44.737 1.00 34.45 H new ATOM 0 HB1 ALA B 23 -9.442 9.703 44.319 1.00 34.40 H new ATOM 0 HB2 ALA B 23 -10.679 10.022 43.382 1.00 34.40 H new ATOM 0 HB3 ALA B 23 -10.416 10.902 44.673 1.00 34.40 H new ATOM 1101 N ALA B 24 -9.616 8.206 46.733 1.00 32.34 N ATOM 1102 CA ALA B 24 -9.006 8.041 48.045 1.00 30.63 C ATOM 1103 C ALA B 24 -7.617 8.649 48.014 1.00 30.19 C ATOM 1104 O ALA B 24 -7.004 8.887 49.055 1.00 29.84 O ATOM 1105 CB ALA B 24 -8.922 6.572 48.403 1.00 29.96 C ATOM 0 H ALA B 24 -9.221 7.777 46.101 1.00 32.34 H new ATOM 0 HA ALA B 24 -9.547 8.487 48.715 1.00 30.63 H new ATOM 0 HB1 ALA B 24 -8.514 6.475 49.278 1.00 29.96 H new ATOM 0 HB2 ALA B 24 -9.814 6.191 48.418 1.00 29.96 H new ATOM 0 HB3 ALA B 24 -8.384 6.108 47.743 1.00 29.96 H new ATOM 1106 N GLY B 25 -7.128 8.909 46.809 1.00 29.55 N ATOM 1107 CA GLY B 25 -5.802 9.470 46.681 1.00 29.21 C ATOM 1108 C GLY B 25 -5.595 10.441 45.539 1.00 29.60 C ATOM 1109 O GLY B 25 -6.271 10.394 44.504 1.00 28.89 O ATOM 0 H GLY B 25 -7.542 8.770 46.068 1.00 29.55 H new ATOM 0 HA2 GLY B 25 -5.581 9.923 47.510 1.00 29.21 H new ATOM 0 HA3 GLY B 25 -5.171 8.741 46.579 1.00 29.21 H new ATOM 1110 N TYR B 26 -4.619 11.315 45.744 1.00 29.93 N ATOM 1111 CA TYR B 26 -4.253 12.347 44.794 1.00 31.12 C ATOM 1112 C TYR B 26 -3.213 11.800 43.816 1.00 31.42 C ATOM 1113 O TYR B 26 -2.152 11.321 44.225 1.00 32.03 O ATOM 1114 CB TYR B 26 -3.690 13.553 45.561 1.00 33.25 C ATOM 1115 CG TYR B 26 -4.645 14.110 46.602 1.00 36.16 C ATOM 1116 CD1 TYR B 26 -5.368 13.257 47.439 1.00 37.76 C ATOM 1117 CD2 TYR B 26 -4.843 15.483 46.745 1.00 37.02 C ATOM 1118 CE1 TYR B 26 -6.267 13.747 48.383 1.00 38.05 C ATOM 1119 CE2 TYR B 26 -5.743 15.984 47.697 1.00 37.78 C ATOM 1120 CZ TYR B 26 -6.449 15.101 48.505 1.00 37.83 C ATOM 1121 OH TYR B 26 -7.358 15.555 49.423 1.00 38.94 O ATOM 0 H TYR B 26 -4.141 11.322 46.459 1.00 29.93 H new ATOM 0 HA TYR B 26 -5.032 12.626 44.289 1.00 31.12 H new ATOM 0 HB2 TYR B 26 -2.864 13.292 45.997 1.00 33.25 H new ATOM 0 HB3 TYR B 26 -3.468 14.254 44.929 1.00 33.25 H new ATOM 0 HD1 TYR B 26 -5.246 12.338 47.364 1.00 37.76 H new ATOM 0 HD2 TYR B 26 -4.372 16.074 46.202 1.00 37.02 H new ATOM 0 HE1 TYR B 26 -6.741 13.160 48.927 1.00 38.05 H new ATOM 0 HE2 TYR B 26 -5.866 16.901 47.787 1.00 37.78 H new ATOM 0 HH TYR B 26 -7.379 16.395 49.405 1.00 38.94 H new ATOM 1122 N ASP B 27 -3.526 11.856 42.525 1.00 30.73 N ATOM 1123 CA ASP B 27 -2.609 11.375 41.500 1.00 30.41 C ATOM 1124 C ASP B 27 -1.307 12.171 41.576 1.00 29.97 C ATOM 1125 O ASP B 27 -1.329 13.389 41.743 1.00 29.43 O ATOM 1126 CB ASP B 27 -3.225 11.570 40.112 1.00 31.84 C ATOM 1127 CG ASP B 27 -4.506 10.785 39.919 1.00 33.49 C ATOM 1128 OD1 ASP B 27 -5.268 10.618 40.897 1.00 33.64 O ATOM 1129 OD2 ASP B 27 -4.760 10.352 38.774 1.00 34.92 O ATOM 0 H ASP B 27 -4.267 12.170 42.222 1.00 30.73 H new ATOM 0 HA ASP B 27 -2.436 10.432 41.648 1.00 30.41 H new ATOM 0 HB2 ASP B 27 -3.405 12.513 39.973 1.00 31.84 H new ATOM 0 HB3 ASP B 27 -2.582 11.301 39.437 1.00 31.84 H new ATOM 1130 N ILE B 28 -0.172 11.488 41.479 1.00 29.69 N ATOM 1131 CA ILE B 28 1.106 12.186 41.490 1.00 29.17 C ATOM 1132 C ILE B 28 1.838 11.731 40.214 1.00 29.96 C ATOM 1133 O ILE B 28 2.085 10.544 39.996 1.00 28.40 O ATOM 1134 CB ILE B 28 1.910 11.920 42.818 1.00 27.57 C ATOM 1135 CG1 ILE B 28 2.776 10.686 42.705 1.00 27.47 C ATOM 1136 CG2 ILE B 28 0.962 11.735 43.981 1.00 26.85 C ATOM 1137 CD1 ILE B 28 4.143 10.989 42.192 1.00 29.02 C ATOM 0 H ILE B 28 -0.120 10.633 41.407 1.00 29.69 H new ATOM 0 HA ILE B 28 0.995 13.150 41.483 1.00 29.17 H new ATOM 0 HB ILE B 28 2.477 12.693 42.967 1.00 27.57 H new ATOM 0 HG12 ILE B 28 2.847 10.264 43.576 1.00 27.47 H new ATOM 0 HG13 ILE B 28 2.347 10.047 42.115 1.00 27.47 H new ATOM 0 HG21 ILE B 28 1.471 11.572 44.791 1.00 26.85 H new ATOM 0 HG22 ILE B 28 0.426 12.536 44.092 1.00 26.85 H new ATOM 0 HG23 ILE B 28 0.380 10.978 43.808 1.00 26.85 H new ATOM 0 HD11 ILE B 28 4.658 10.169 42.138 1.00 29.02 H new ATOM 0 HD12 ILE B 28 4.077 11.388 41.310 1.00 29.02 H new ATOM 0 HD13 ILE B 28 4.585 11.608 42.794 1.00 29.02 H new ATOM 1138 N SER B 29 2.146 12.695 39.350 1.00 31.74 N ATOM 1139 CA SER B 29 2.783 12.410 38.071 1.00 32.66 C ATOM 1140 C SER B 29 4.298 12.496 38.026 1.00 33.07 C ATOM 1141 O SER B 29 4.923 13.147 38.853 1.00 32.27 O ATOM 1142 CB SER B 29 2.197 13.336 37.011 1.00 32.86 C ATOM 1143 OG SER B 29 0.796 13.165 36.930 1.00 34.63 O ATOM 0 H SER B 29 1.992 13.529 39.490 1.00 31.74 H new ATOM 0 HA SER B 29 2.591 11.474 37.904 1.00 32.66 H new ATOM 0 HB2 SER B 29 2.404 14.258 37.228 1.00 32.86 H new ATOM 0 HB3 SER B 29 2.602 13.149 36.150 1.00 32.86 H new ATOM 0 HG SER B 29 0.484 13.680 36.345 1.00 34.63 H new ATOM 1144 N SER B 30 4.877 11.832 37.031 1.00 34.64 N ATOM 1145 CA SER B 30 6.318 11.824 36.848 1.00 37.28 C ATOM 1146 C SER B 30 6.750 13.125 36.207 1.00 39.37 C ATOM 1147 O SER B 30 6.054 13.668 35.348 1.00 39.68 O ATOM 1148 CB SER B 30 6.741 10.663 35.952 1.00 37.60 C ATOM 1149 OG SER B 30 8.131 10.725 35.676 1.00 37.44 O ATOM 0 H SER B 30 4.444 11.375 36.445 1.00 34.64 H new ATOM 0 HA SER B 30 6.739 11.721 37.716 1.00 37.28 H new ATOM 0 HB2 SER B 30 6.529 9.821 36.384 1.00 37.60 H new ATOM 0 HB3 SER B 30 6.240 10.690 35.122 1.00 37.60 H new ATOM 0 HG SER B 30 8.250 11.035 34.905 1.00 37.44 H new ATOM 1150 N VAL B 31 7.914 13.615 36.614 1.00 41.18 N ATOM 1151 CA VAL B 31 8.430 14.867 36.084 1.00 42.25 C ATOM 1152 C VAL B 31 9.545 14.641 35.072 1.00 42.23 C ATOM 1153 O VAL B 31 9.942 15.562 34.364 1.00 43.18 O ATOM 1154 CB VAL B 31 8.936 15.783 37.236 1.00 42.63 C ATOM 1155 CG1 VAL B 31 9.643 17.006 36.679 1.00 43.59 C ATOM 1156 CG2 VAL B 31 7.757 16.228 38.087 1.00 43.02 C ATOM 0 H VAL B 31 8.420 13.237 37.197 1.00 41.18 H new ATOM 0 HA VAL B 31 7.697 15.306 35.625 1.00 42.25 H new ATOM 0 HB VAL B 31 9.564 15.279 37.777 1.00 42.63 H new ATOM 0 HG11 VAL B 31 9.950 17.564 37.411 1.00 43.59 H new ATOM 0 HG12 VAL B 31 10.403 16.726 36.145 1.00 43.59 H new ATOM 0 HG13 VAL B 31 9.028 17.511 36.125 1.00 43.59 H new ATOM 0 HG21 VAL B 31 8.073 16.799 38.805 1.00 43.02 H new ATOM 0 HG22 VAL B 31 7.128 16.720 37.537 1.00 43.02 H new ATOM 0 HG23 VAL B 31 7.317 15.450 38.463 1.00 43.02 H new ATOM 1157 N GLU B 32 10.042 13.416 34.988 1.00 42.30 N ATOM 1158 CA GLU B 32 11.118 13.121 34.052 1.00 43.14 C ATOM 1159 C GLU B 32 10.699 12.006 33.111 1.00 42.97 C ATOM 1160 O GLU B 32 9.522 11.669 33.017 1.00 43.50 O ATOM 1161 CB GLU B 32 12.364 12.691 34.826 1.00 43.91 C ATOM 1162 CG GLU B 32 12.176 11.389 35.585 1.00 45.45 C ATOM 1163 CD GLU B 32 13.295 11.120 36.564 1.00 46.77 C ATOM 1164 OE1 GLU B 32 14.466 11.282 36.171 1.00 48.25 O ATOM 1165 OE2 GLU B 32 13.007 10.737 37.719 1.00 46.80 O ATOM 0 H GLU B 32 9.775 12.747 35.458 1.00 42.30 H new ATOM 0 HA GLU B 32 11.314 13.917 33.534 1.00 43.14 H new ATOM 0 HB2 GLU B 32 13.105 12.594 34.207 1.00 43.91 H new ATOM 0 HB3 GLU B 32 12.607 13.391 35.452 1.00 43.91 H new ATOM 0 HG2 GLU B 32 11.332 11.416 36.063 1.00 45.45 H new ATOM 0 HG3 GLU B 32 12.120 10.655 34.953 1.00 45.45 H new ATOM 1166 N ASP B 33 11.674 11.447 32.408 1.00 42.32 N ATOM 1167 CA ASP B 33 11.438 10.334 31.498 1.00 41.36 C ATOM 1168 C ASP B 33 12.351 9.236 32.001 1.00 39.32 C ATOM 1169 O ASP B 33 13.569 9.369 31.938 1.00 39.97 O ATOM 1170 CB ASP B 33 11.817 10.710 30.065 1.00 43.72 C ATOM 1171 CG ASP B 33 10.742 11.521 29.371 1.00 46.81 C ATOM 1172 OD1 ASP B 33 9.767 10.908 28.885 1.00 48.20 O ATOM 1173 OD2 ASP B 33 10.864 12.768 29.319 1.00 48.59 O ATOM 0 H ASP B 33 12.494 11.703 32.445 1.00 42.32 H new ATOM 0 HA ASP B 33 10.504 10.072 31.480 1.00 41.36 H new ATOM 0 HB2 ASP B 33 12.644 11.217 30.075 1.00 43.72 H new ATOM 0 HB3 ASP B 33 11.986 9.902 29.556 1.00 43.72 H new ATOM 1174 N VAL B 34 11.772 8.162 32.522 1.00 36.37 N ATOM 1175 CA VAL B 34 12.580 7.071 33.041 1.00 33.85 C ATOM 1176 C VAL B 34 12.036 5.701 32.746 1.00 32.03 C ATOM 1177 O VAL B 34 10.890 5.527 32.344 1.00 31.16 O ATOM 1178 CB VAL B 34 12.745 7.161 34.561 1.00 34.71 C ATOM 1179 CG1 VAL B 34 13.798 8.197 34.910 1.00 35.95 C ATOM 1180 CG2 VAL B 34 11.403 7.505 35.205 1.00 33.78 C ATOM 0 H VAL B 34 10.922 8.047 32.584 1.00 36.37 H new ATOM 0 HA VAL B 34 13.428 7.178 32.582 1.00 33.85 H new ATOM 0 HB VAL B 34 13.040 6.304 34.905 1.00 34.71 H new ATOM 0 HG11 VAL B 34 13.896 8.247 35.874 1.00 35.95 H new ATOM 0 HG12 VAL B 34 14.646 7.944 34.512 1.00 35.95 H new ATOM 0 HG13 VAL B 34 13.526 9.063 34.567 1.00 35.95 H new ATOM 0 HG21 VAL B 34 11.511 7.561 36.167 1.00 33.78 H new ATOM 0 HG22 VAL B 34 11.090 8.358 34.865 1.00 33.78 H new ATOM 0 HG23 VAL B 34 10.755 6.815 34.992 1.00 33.78 H new ATOM 1181 N VAL B 35 12.886 4.716 32.971 1.00 30.53 N ATOM 1182 CA VAL B 35 12.508 3.339 32.756 1.00 29.16 C ATOM 1183 C VAL B 35 12.769 2.542 34.039 1.00 27.47 C ATOM 1184 O VAL B 35 13.883 2.540 34.579 1.00 26.90 O ATOM 1185 CB VAL B 35 13.304 2.725 31.567 1.00 29.06 C ATOM 1186 CG1 VAL B 35 14.806 2.747 31.869 1.00 29.36 C ATOM 1187 CG2 VAL B 35 12.812 1.304 31.282 1.00 28.64 C ATOM 0 H VAL B 35 13.692 4.827 33.250 1.00 30.53 H new ATOM 0 HA VAL B 35 11.565 3.300 32.534 1.00 29.16 H new ATOM 0 HB VAL B 35 13.152 3.259 30.771 1.00 29.06 H new ATOM 0 HG11 VAL B 35 15.292 2.363 31.123 1.00 29.36 H new ATOM 0 HG12 VAL B 35 15.095 3.663 32.006 1.00 29.36 H new ATOM 0 HG13 VAL B 35 14.983 2.230 32.670 1.00 29.36 H new ATOM 0 HG21 VAL B 35 13.313 0.930 30.540 1.00 28.64 H new ATOM 0 HG22 VAL B 35 12.941 0.753 32.070 1.00 28.64 H new ATOM 0 HG23 VAL B 35 11.869 1.327 31.055 1.00 28.64 H new ATOM 1188 N VAL B 36 11.721 1.906 34.547 1.00 25.44 N ATOM 1189 CA VAL B 36 11.853 1.081 35.733 1.00 23.77 C ATOM 1190 C VAL B 36 12.154 -0.300 35.157 1.00 22.34 C ATOM 1191 O VAL B 36 11.260 -0.979 34.657 1.00 22.85 O ATOM 1192 CB VAL B 36 10.546 1.106 36.585 1.00 23.71 C ATOM 1193 CG1 VAL B 36 9.337 1.194 35.690 1.00 24.08 C ATOM 1194 CG2 VAL B 36 10.466 -0.114 37.458 1.00 22.18 C ATOM 0 H VAL B 36 10.927 1.940 34.219 1.00 25.44 H new ATOM 0 HA VAL B 36 12.543 1.383 36.345 1.00 23.77 H new ATOM 0 HB VAL B 36 10.564 1.891 37.155 1.00 23.71 H new ATOM 0 HG11 VAL B 36 8.533 1.209 36.232 1.00 24.08 H new ATOM 0 HG12 VAL B 36 9.384 2.006 35.161 1.00 24.08 H new ATOM 0 HG13 VAL B 36 9.314 0.425 35.100 1.00 24.08 H new ATOM 0 HG21 VAL B 36 9.650 -0.085 37.981 1.00 22.18 H new ATOM 0 HG22 VAL B 36 10.466 -0.910 36.903 1.00 22.18 H new ATOM 0 HG23 VAL B 36 11.231 -0.136 38.054 1.00 22.18 H new ATOM 1195 N PRO B 37 13.438 -0.710 35.197 1.00 21.02 N ATOM 1196 CA PRO B 37 14.022 -1.974 34.712 1.00 19.70 C ATOM 1197 C PRO B 37 13.348 -3.301 35.069 1.00 18.51 C ATOM 1198 O PRO B 37 12.868 -3.492 36.182 1.00 17.99 O ATOM 1199 CB PRO B 37 15.461 -1.913 35.230 1.00 19.17 C ATOM 1200 CG PRO B 37 15.348 -1.070 36.450 1.00 19.68 C ATOM 1201 CD PRO B 37 14.430 0.030 35.997 1.00 20.21 C ATOM 0 HA PRO B 37 13.911 -2.006 33.749 1.00 19.70 H new ATOM 0 HB2 PRO B 37 15.806 -2.796 35.435 1.00 19.17 H new ATOM 0 HB3 PRO B 37 16.061 -1.519 34.577 1.00 19.17 H new ATOM 0 HG2 PRO B 37 14.978 -1.564 37.198 1.00 19.68 H new ATOM 0 HG3 PRO B 37 16.210 -0.728 36.734 1.00 19.68 H new ATOM 0 HD2 PRO B 37 14.021 0.493 36.745 1.00 20.21 H new ATOM 0 HD3 PRO B 37 14.896 0.698 35.470 1.00 20.21 H new ATOM 1202 N ALA B 38 13.329 -4.218 34.106 1.00 17.30 N ATOM 1203 CA ALA B 38 12.740 -5.535 34.305 1.00 16.14 C ATOM 1204 C ALA B 38 13.319 -6.119 35.581 1.00 15.69 C ATOM 1205 O ALA B 38 14.533 -6.166 35.743 1.00 15.81 O ATOM 1206 CB ALA B 38 13.064 -6.421 33.137 1.00 16.47 C ATOM 0 H ALA B 38 13.657 -4.093 33.321 1.00 17.30 H new ATOM 0 HA ALA B 38 11.775 -5.467 34.376 1.00 16.14 H new ATOM 0 HB1 ALA B 38 12.669 -7.296 33.275 1.00 16.47 H new ATOM 0 HB2 ALA B 38 12.706 -6.030 32.325 1.00 16.47 H new ATOM 0 HB3 ALA B 38 14.026 -6.510 33.055 1.00 16.47 H new ATOM 1207 N MET B 39 12.440 -6.558 36.476 1.00 14.47 N ATOM 1208 CA MET B 39 12.830 -7.108 37.768 1.00 14.14 C ATOM 1209 C MET B 39 13.665 -6.112 38.550 1.00 14.37 C ATOM 1210 O MET B 39 14.482 -6.496 39.386 1.00 14.26 O ATOM 1211 CB MET B 39 13.611 -8.404 37.601 1.00 13.06 C ATOM 1212 CG MET B 39 12.803 -9.504 36.970 1.00 13.66 C ATOM 1213 SD MET B 39 11.149 -9.696 37.669 1.00 12.65 S ATOM 1214 CE MET B 39 11.538 -10.535 39.242 1.00 13.03 C ATOM 0 H MET B 39 11.590 -6.544 36.348 1.00 14.47 H new ATOM 0 HA MET B 39 12.015 -7.295 38.260 1.00 14.14 H new ATOM 0 HB2 MET B 39 14.396 -8.234 37.057 1.00 13.06 H new ATOM 0 HB3 MET B 39 13.926 -8.699 38.470 1.00 13.06 H new ATOM 0 HG2 MET B 39 12.724 -9.330 36.019 1.00 13.66 H new ATOM 0 HG3 MET B 39 13.284 -10.341 37.066 1.00 13.66 H new ATOM 0 HE1 MET B 39 10.717 -10.703 39.731 1.00 13.03 H new ATOM 0 HE2 MET B 39 11.982 -11.377 39.058 1.00 13.03 H new ATOM 0 HE3 MET B 39 12.121 -9.971 39.774 1.00 13.03 H new ATOM 1215 N GLY B 40 13.442 -4.829 38.282 1.00 14.79 N ATOM 1216 CA GLY B 40 14.186 -3.790 38.969 1.00 15.70 C ATOM 1217 C GLY B 40 13.362 -2.657 39.555 1.00 16.13 C ATOM 1218 O GLY B 40 12.137 -2.639 39.463 1.00 16.03 O ATOM 0 H GLY B 40 12.867 -4.544 37.709 1.00 14.79 H new ATOM 0 HA2 GLY B 40 14.694 -4.201 39.686 1.00 15.70 H new ATOM 0 HA3 GLY B 40 14.828 -3.412 38.348 1.00 15.70 H new ATOM 1219 N ARG B 41 14.053 -1.703 40.171 1.00 16.89 N ATOM 1220 CA ARG B 41 13.409 -0.554 40.782 1.00 17.38 C ATOM 1221 C ARG B 41 14.072 0.730 40.308 1.00 17.96 C ATOM 1222 O ARG B 41 15.073 0.707 39.602 1.00 18.24 O ATOM 1223 CB ARG B 41 13.508 -0.649 42.303 1.00 17.23 C ATOM 1224 CG ARG B 41 14.930 -0.600 42.860 1.00 17.97 C ATOM 1225 CD ARG B 41 14.913 -0.657 44.398 1.00 18.74 C ATOM 1226 NE ARG B 41 16.217 -0.378 44.992 1.00 19.27 N ATOM 1227 CZ ARG B 41 17.292 -1.145 44.834 1.00 20.60 C ATOM 1228 NH1 ARG B 41 18.443 -0.810 45.407 1.00 19.03 N ATOM 1229 NH2 ARG B 41 17.216 -2.256 44.111 1.00 22.43 N ATOM 0 H ARG B 41 14.910 -1.707 40.245 1.00 16.89 H new ATOM 0 HA ARG B 41 12.475 -0.545 40.521 1.00 17.38 H new ATOM 0 HB2 ARG B 41 12.997 0.077 42.693 1.00 17.23 H new ATOM 0 HB3 ARG B 41 13.091 -1.476 42.590 1.00 17.23 H new ATOM 0 HG2 ARG B 41 15.445 -1.343 42.510 1.00 17.97 H new ATOM 0 HG3 ARG B 41 15.370 0.213 42.567 1.00 17.97 H new ATOM 0 HD2 ARG B 41 14.266 -0.017 44.734 1.00 18.74 H new ATOM 0 HD3 ARG B 41 14.615 -1.536 44.681 1.00 18.74 H new ATOM 0 HE ARG B 41 16.295 0.329 45.476 1.00 19.27 H new ATOM 0 HH11 ARG B 41 18.495 -0.095 45.882 1.00 19.03 H new ATOM 0 HH12 ARG B 41 19.136 -1.308 45.303 1.00 19.03 H new ATOM 0 HH21 ARG B 41 16.471 -2.480 43.744 1.00 22.43 H new ATOM 0 HH22 ARG B 41 17.912 -2.751 44.009 1.00 22.43 H new ATOM 1230 N ILE B 42 13.499 1.858 40.693 1.00 18.82 N ATOM 1231 CA ILE B 42 14.043 3.148 40.318 1.00 19.83 C ATOM 1232 C ILE B 42 13.305 4.204 41.113 1.00 20.01 C ATOM 1233 O ILE B 42 12.149 4.014 41.472 1.00 20.37 O ATOM 1234 CB ILE B 42 13.872 3.428 38.798 1.00 20.81 C ATOM 1235 CG1 ILE B 42 14.603 4.718 38.429 1.00 22.13 C ATOM 1236 CG2 ILE B 42 12.407 3.569 38.439 1.00 20.01 C ATOM 1237 CD1 ILE B 42 16.085 4.721 38.837 1.00 24.58 C ATOM 0 H ILE B 42 12.788 1.897 41.176 1.00 18.82 H new ATOM 0 HA ILE B 42 14.994 3.160 40.507 1.00 19.83 H new ATOM 0 HB ILE B 42 14.246 2.681 38.305 1.00 20.81 H new ATOM 0 HG12 ILE B 42 14.538 4.855 37.471 1.00 22.13 H new ATOM 0 HG13 ILE B 42 14.156 5.467 38.854 1.00 22.13 H new ATOM 0 HG21 ILE B 42 12.322 3.743 37.489 1.00 20.01 H new ATOM 0 HG22 ILE B 42 11.939 2.749 38.660 1.00 20.01 H new ATOM 0 HG23 ILE B 42 12.021 4.306 38.938 1.00 20.01 H new ATOM 0 HD11 ILE B 42 16.491 5.563 38.577 1.00 24.58 H new ATOM 0 HD12 ILE B 42 16.156 4.612 39.798 1.00 24.58 H new ATOM 0 HD13 ILE B 42 16.544 3.990 38.394 1.00 24.58 H new ATOM 1238 N ALA B 43 13.976 5.309 41.402 1.00 20.14 N ATOM 1239 CA ALA B 43 13.349 6.373 42.156 1.00 20.64 C ATOM 1240 C ALA B 43 12.974 7.483 41.202 1.00 22.21 C ATOM 1241 O ALA B 43 13.824 8.271 40.800 1.00 23.74 O ATOM 1242 CB ALA B 43 14.298 6.886 43.203 1.00 19.37 C ATOM 0 H ALA B 43 14.791 5.459 41.171 1.00 20.14 H new ATOM 0 HA ALA B 43 12.553 6.041 42.600 1.00 20.64 H new ATOM 0 HB1 ALA B 43 13.872 7.599 43.705 1.00 19.37 H new ATOM 0 HB2 ALA B 43 14.536 6.164 43.806 1.00 19.37 H new ATOM 0 HB3 ALA B 43 15.099 7.227 42.775 1.00 19.37 H new ATOM 1243 N VAL B 44 11.701 7.543 40.830 1.00 23.65 N ATOM 1244 CA VAL B 44 11.223 8.574 39.910 1.00 24.38 C ATOM 1245 C VAL B 44 11.038 9.922 40.617 1.00 26.12 C ATOM 1246 O VAL B 44 10.676 9.979 41.793 1.00 25.95 O ATOM 1247 CB VAL B 44 9.891 8.158 39.267 1.00 23.09 C ATOM 1248 CG1 VAL B 44 9.571 9.074 38.114 1.00 24.01 C ATOM 1249 CG2 VAL B 44 9.967 6.720 38.804 1.00 21.76 C ATOM 0 H VAL B 44 11.095 6.996 41.098 1.00 23.65 H new ATOM 0 HA VAL B 44 11.900 8.673 39.222 1.00 24.38 H new ATOM 0 HB VAL B 44 9.181 8.231 39.924 1.00 23.09 H new ATOM 0 HG11 VAL B 44 8.730 8.807 37.712 1.00 24.01 H new ATOM 0 HG12 VAL B 44 9.500 9.986 38.435 1.00 24.01 H new ATOM 0 HG13 VAL B 44 10.277 9.019 37.451 1.00 24.01 H new ATOM 0 HG21 VAL B 44 9.123 6.465 38.400 1.00 21.76 H new ATOM 0 HG22 VAL B 44 10.679 6.627 38.152 1.00 21.76 H new ATOM 0 HG23 VAL B 44 10.148 6.144 39.564 1.00 21.76 H new ATOM 1250 N SER B 45 11.287 11.008 39.896 1.00 28.42 N ATOM 1251 CA SER B 45 11.153 12.339 40.472 1.00 30.45 C ATOM 1252 C SER B 45 9.775 12.931 40.219 1.00 31.62 C ATOM 1253 O SER B 45 9.291 12.941 39.084 1.00 31.85 O ATOM 1254 CB SER B 45 12.233 13.246 39.907 1.00 30.80 C ATOM 1255 OG SER B 45 13.500 12.661 40.146 1.00 33.78 O ATOM 0 H SER B 45 11.534 10.996 39.072 1.00 28.42 H new ATOM 0 HA SER B 45 11.259 12.265 41.433 1.00 30.45 H new ATOM 0 HB2 SER B 45 12.098 13.375 38.955 1.00 30.80 H new ATOM 0 HB3 SER B 45 12.185 14.122 40.321 1.00 30.80 H new ATOM 0 HG SER B 45 13.650 12.071 39.567 1.00 33.78 H new ATOM 1256 N THR B 46 9.147 13.414 41.291 1.00 33.14 N ATOM 1257 CA THR B 46 7.808 13.999 41.224 1.00 34.47 C ATOM 1258 C THR B 46 7.871 15.520 41.093 1.00 35.64 C ATOM 1259 O THR B 46 6.853 16.183 40.868 1.00 35.34 O ATOM 1260 CB THR B 46 6.964 13.633 42.485 1.00 34.13 C ATOM 1261 OG1 THR B 46 7.517 14.269 43.646 1.00 34.10 O ATOM 1262 CG2 THR B 46 6.959 12.130 42.705 1.00 32.79 C ATOM 0 H THR B 46 9.487 13.411 42.081 1.00 33.14 H new ATOM 0 HA THR B 46 7.381 13.628 40.436 1.00 34.47 H new ATOM 0 HB THR B 46 6.055 13.940 42.341 1.00 34.13 H new ATOM 0 HG1 THR B 46 8.318 14.034 43.739 1.00 34.10 H new ATOM 0 HG21 THR B 46 6.431 11.920 43.491 1.00 32.79 H new ATOM 0 HG22 THR B 46 6.574 11.691 41.931 1.00 32.79 H new ATOM 0 HG23 THR B 46 7.869 11.819 42.834 1.00 32.79 H new ATOM 1263 N GLY B 47 9.077 16.061 41.239 1.00 37.05 N ATOM 1264 CA GLY B 47 9.281 17.496 41.126 1.00 38.63 C ATOM 1265 C GLY B 47 8.406 18.382 42.000 1.00 38.84 C ATOM 1266 O GLY B 47 8.147 19.534 41.650 1.00 39.82 O ATOM 0 H GLY B 47 9.791 15.611 41.404 1.00 37.05 H new ATOM 0 HA2 GLY B 47 10.209 17.687 41.334 1.00 38.63 H new ATOM 0 HA3 GLY B 47 9.140 17.750 40.200 1.00 38.63 H new ATOM 1267 N ILE B 48 7.948 17.856 43.133 1.00 38.09 N ATOM 1268 CA ILE B 48 7.113 18.622 44.047 1.00 36.63 C ATOM 1269 C ILE B 48 7.388 18.158 45.472 1.00 37.53 C ATOM 1270 O ILE B 48 7.904 17.057 45.688 1.00 37.06 O ATOM 1271 CB ILE B 48 5.608 18.406 43.765 1.00 35.11 C ATOM 1272 CG1 ILE B 48 5.162 17.048 44.305 1.00 33.45 C ATOM 1273 CG2 ILE B 48 5.342 18.442 42.276 1.00 33.65 C ATOM 1274 CD1 ILE B 48 3.669 16.888 44.350 1.00 31.99 C ATOM 0 H ILE B 48 8.112 17.052 43.390 1.00 38.09 H new ATOM 0 HA ILE B 48 7.325 19.561 43.926 1.00 36.63 H new ATOM 0 HB ILE B 48 5.113 19.116 44.204 1.00 35.11 H new ATOM 0 HG12 ILE B 48 5.540 16.347 43.751 1.00 33.45 H new ATOM 0 HG13 ILE B 48 5.521 16.928 45.198 1.00 33.45 H new ATOM 0 HG21 ILE B 48 4.396 18.305 42.113 1.00 33.65 H new ATOM 0 HG22 ILE B 48 5.610 19.304 41.920 1.00 33.65 H new ATOM 0 HG23 ILE B 48 5.850 17.740 41.839 1.00 33.65 H new ATOM 0 HD11 ILE B 48 3.448 16.011 44.700 1.00 31.99 H new ATOM 0 HD12 ILE B 48 3.287 17.570 44.924 1.00 31.99 H new ATOM 0 HD13 ILE B 48 3.306 16.980 43.455 1.00 31.99 H new ATOM 1275 N SER B 49 7.053 19.005 46.440 1.00 38.15 N ATOM 1276 CA SER B 49 7.220 18.661 47.849 1.00 39.14 C ATOM 1277 C SER B 49 5.920 19.022 48.544 1.00 38.55 C ATOM 1278 O SER B 49 5.213 19.930 48.103 1.00 38.28 O ATOM 1279 CB SER B 49 8.372 19.435 48.486 1.00 40.62 C ATOM 1280 OG SER B 49 8.609 18.958 49.805 1.00 44.39 O ATOM 0 H SER B 49 6.726 19.788 46.301 1.00 38.15 H new ATOM 0 HA SER B 49 7.428 17.718 47.936 1.00 39.14 H new ATOM 0 HB2 SER B 49 9.174 19.336 47.949 1.00 40.62 H new ATOM 0 HB3 SER B 49 8.162 20.382 48.509 1.00 40.62 H new ATOM 0 HG SER B 49 9.332 18.531 49.823 1.00 44.39 H new ATOM 1281 N ILE B 50 5.584 18.313 49.616 1.00 38.01 N ATOM 1282 CA ILE B 50 4.341 18.621 50.295 1.00 38.17 C ATOM 1283 C ILE B 50 4.415 18.633 51.812 1.00 39.09 C ATOM 1284 O ILE B 50 5.404 18.219 52.421 1.00 39.29 O ATOM 1285 CB ILE B 50 3.177 17.658 49.857 1.00 37.22 C ATOM 1286 CG1 ILE B 50 3.261 16.319 50.592 1.00 36.15 C ATOM 1287 CG2 ILE B 50 3.223 17.432 48.349 1.00 36.22 C ATOM 1288 CD1 ILE B 50 4.405 15.448 50.169 1.00 37.11 C ATOM 0 H ILE B 50 6.046 17.672 49.954 1.00 38.01 H new ATOM 0 HA ILE B 50 4.156 19.531 50.014 1.00 38.17 H new ATOM 0 HB ILE B 50 2.335 18.078 50.091 1.00 37.22 H new ATOM 0 HG12 ILE B 50 3.334 16.490 51.544 1.00 36.15 H new ATOM 0 HG13 ILE B 50 2.432 15.835 50.454 1.00 36.15 H new ATOM 0 HG21 ILE B 50 2.502 16.837 48.089 1.00 36.22 H new ATOM 0 HG22 ILE B 50 3.123 18.281 47.891 1.00 36.22 H new ATOM 0 HG23 ILE B 50 4.074 17.033 48.107 1.00 36.22 H new ATOM 0 HD11 ILE B 50 4.389 14.623 50.678 1.00 37.11 H new ATOM 0 HD12 ILE B 50 4.326 15.246 49.224 1.00 37.11 H new ATOM 0 HD13 ILE B 50 5.242 15.911 50.331 1.00 37.11 H new ATOM 1289 N ARG B 51 3.345 19.155 52.402 1.00 40.07 N ATOM 1290 CA ARG B 51 3.180 19.238 53.838 1.00 40.85 C ATOM 1291 C ARG B 51 1.831 18.565 54.044 1.00 40.49 C ATOM 1292 O ARG B 51 0.804 19.049 53.573 1.00 41.08 O ATOM 1293 CB ARG B 51 3.150 20.701 54.284 1.00 43.15 C ATOM 1294 CG ARG B 51 4.334 21.100 55.165 1.00 46.96 C ATOM 1295 CD ARG B 51 5.693 20.837 54.494 1.00 50.53 C ATOM 1296 NE ARG B 51 6.150 21.947 53.650 1.00 52.65 N ATOM 1297 CZ ARG B 51 7.249 21.919 52.891 1.00 53.98 C ATOM 1298 NH1 ARG B 51 7.584 22.979 52.161 1.00 54.12 N ATOM 1299 NH2 ARG B 51 8.012 20.829 52.851 1.00 54.08 N ATOM 0 H ARG B 51 2.680 19.478 51.962 1.00 40.07 H new ATOM 0 HA ARG B 51 3.895 18.826 54.348 1.00 40.85 H new ATOM 0 HB2 ARG B 51 3.136 21.270 53.498 1.00 43.15 H new ATOM 0 HB3 ARG B 51 2.326 20.866 54.769 1.00 43.15 H new ATOM 0 HG2 ARG B 51 4.264 22.042 55.386 1.00 46.96 H new ATOM 0 HG3 ARG B 51 4.290 20.609 56.000 1.00 46.96 H new ATOM 0 HD2 ARG B 51 6.357 20.666 55.180 1.00 50.53 H new ATOM 0 HD3 ARG B 51 5.630 20.034 53.954 1.00 50.53 H new ATOM 0 HE ARG B 51 5.677 22.666 53.644 1.00 52.65 H new ATOM 0 HH11 ARG B 51 7.093 23.685 52.177 1.00 54.12 H new ATOM 0 HH12 ARG B 51 8.292 22.959 51.673 1.00 54.12 H new ATOM 0 HH21 ARG B 51 7.799 20.137 53.315 1.00 54.08 H new ATOM 0 HH22 ARG B 51 8.718 20.816 52.361 1.00 54.08 H new ATOM 1300 N VAL B 52 1.853 17.419 54.713 1.00 40.29 N ATOM 1301 CA VAL B 52 0.649 16.629 54.970 1.00 39.23 C ATOM 1302 C VAL B 52 -0.203 17.176 56.115 1.00 38.30 C ATOM 1303 O VAL B 52 0.326 17.605 57.141 1.00 37.17 O ATOM 1304 CB VAL B 52 1.032 15.168 55.302 1.00 38.72 C ATOM 1305 CG1 VAL B 52 -0.200 14.365 55.633 1.00 37.99 C ATOM 1306 CG2 VAL B 52 1.760 14.554 54.134 1.00 38.10 C ATOM 0 H VAL B 52 2.572 17.073 55.034 1.00 40.29 H new ATOM 0 HA VAL B 52 0.120 16.677 54.158 1.00 39.23 H new ATOM 0 HB VAL B 52 1.617 15.163 56.076 1.00 38.72 H new ATOM 0 HG11 VAL B 52 0.054 13.452 55.839 1.00 37.99 H new ATOM 0 HG12 VAL B 52 -0.646 14.757 56.400 1.00 37.99 H new ATOM 0 HG13 VAL B 52 -0.803 14.369 54.873 1.00 37.99 H new ATOM 0 HG21 VAL B 52 1.998 13.638 54.346 1.00 38.10 H new ATOM 0 HG22 VAL B 52 1.186 14.565 53.352 1.00 38.10 H new ATOM 0 HG23 VAL B 52 2.565 15.063 53.951 1.00 38.10 H new ATOM 1307 N PRO B 53 -1.537 17.168 55.952 1.00 37.76 N ATOM 1308 CA PRO B 53 -2.397 17.675 57.023 1.00 38.10 C ATOM 1309 C PRO B 53 -1.870 17.158 58.360 1.00 38.85 C ATOM 1310 O PRO B 53 -1.305 16.066 58.415 1.00 40.60 O ATOM 1311 CB PRO B 53 -3.756 17.092 56.659 1.00 37.83 C ATOM 1312 CG PRO B 53 -3.735 17.149 55.171 1.00 36.95 C ATOM 1313 CD PRO B 53 -2.342 16.657 54.828 1.00 37.34 C ATOM 0 HA PRO B 53 -2.433 18.641 57.109 1.00 38.10 H new ATOM 0 HB2 PRO B 53 -3.860 16.184 56.985 1.00 37.83 H new ATOM 0 HB3 PRO B 53 -4.485 17.613 57.031 1.00 37.83 H new ATOM 0 HG2 PRO B 53 -4.421 16.585 54.781 1.00 36.95 H new ATOM 0 HG3 PRO B 53 -3.888 18.049 54.844 1.00 36.95 H new ATOM 0 HD2 PRO B 53 -2.305 15.690 54.768 1.00 37.34 H new ATOM 0 HD3 PRO B 53 -2.035 17.006 53.976 1.00 37.34 H new ATOM 1314 N ASP B 54 -2.024 17.933 59.429 1.00 38.63 N ATOM 1315 CA ASP B 54 -1.533 17.485 60.727 1.00 38.20 C ATOM 1316 C ASP B 54 -2.219 16.164 61.107 1.00 36.75 C ATOM 1317 O ASP B 54 -3.266 15.816 60.556 1.00 35.69 O ATOM 1318 CB ASP B 54 -1.802 18.552 61.799 1.00 40.79 C ATOM 1319 CG ASP B 54 -1.168 18.205 63.156 1.00 44.06 C ATOM 1320 OD1 ASP B 54 0.076 18.318 63.283 1.00 45.42 O ATOM 1321 OD2 ASP B 54 -1.910 17.815 64.095 1.00 44.58 O ATOM 0 H ASP B 54 -2.402 18.706 59.426 1.00 38.63 H new ATOM 0 HA ASP B 54 -0.575 17.343 60.672 1.00 38.20 H new ATOM 0 HB2 ASP B 54 -1.456 19.405 61.494 1.00 40.79 H new ATOM 0 HB3 ASP B 54 -2.760 18.657 61.911 1.00 40.79 H new ATOM 1322 N GLY B 55 -1.610 15.431 62.036 1.00 35.44 N ATOM 1323 CA GLY B 55 -2.162 14.165 62.493 1.00 33.45 C ATOM 1324 C GLY B 55 -2.450 13.153 61.400 1.00 31.72 C ATOM 1325 O GLY B 55 -3.380 12.352 61.523 1.00 31.27 O ATOM 0 H GLY B 55 -0.871 15.654 62.415 1.00 35.44 H new ATOM 0 HA2 GLY B 55 -1.543 13.769 63.126 1.00 33.45 H new ATOM 0 HA3 GLY B 55 -2.985 14.343 62.974 1.00 33.45 H new ATOM 1326 N THR B 56 -1.647 13.174 60.339 1.00 30.13 N ATOM 1327 CA THR B 56 -1.836 12.260 59.216 1.00 27.39 C ATOM 1328 C THR B 56 -0.571 12.233 58.331 1.00 25.98 C ATOM 1329 O THR B 56 0.085 13.264 58.159 1.00 26.75 O ATOM 1330 CB THR B 56 -3.085 12.711 58.398 1.00 26.54 C ATOM 1331 OG1 THR B 56 -3.657 11.586 57.725 1.00 28.23 O ATOM 1332 CG2 THR B 56 -2.717 13.777 57.377 1.00 23.88 C ATOM 0 H THR B 56 -0.983 13.713 60.250 1.00 30.13 H new ATOM 0 HA THR B 56 -1.984 11.360 59.546 1.00 27.39 H new ATOM 0 HB THR B 56 -3.730 13.087 59.017 1.00 26.54 H new ATOM 0 HG1 THR B 56 -3.045 11.069 57.472 1.00 28.23 H new ATOM 0 HG21 THR B 56 -3.509 14.039 56.883 1.00 23.88 H new ATOM 0 HG22 THR B 56 -2.351 14.550 57.834 1.00 23.88 H new ATOM 0 HG23 THR B 56 -2.056 13.422 56.762 1.00 23.88 H new ATOM 1333 N TYR B 57 -0.210 11.065 57.790 1.00 23.56 N ATOM 1334 CA TYR B 57 0.974 10.985 56.921 1.00 20.29 C ATOM 1335 C TYR B 57 0.627 10.764 55.456 1.00 17.78 C ATOM 1336 O TYR B 57 -0.497 10.414 55.128 1.00 17.10 O ATOM 1337 CB TYR B 57 1.929 9.875 57.361 1.00 20.49 C ATOM 1338 CG TYR B 57 1.587 8.482 56.851 1.00 19.66 C ATOM 1339 CD1 TYR B 57 0.548 7.744 57.419 1.00 18.23 C ATOM 1340 CD2 TYR B 57 2.353 7.875 55.847 1.00 19.02 C ATOM 1341 CE1 TYR B 57 0.292 6.443 57.013 1.00 17.14 C ATOM 1342 CE2 TYR B 57 2.097 6.569 55.435 1.00 16.28 C ATOM 1343 CZ TYR B 57 1.071 5.861 56.028 1.00 15.82 C ATOM 1344 OH TYR B 57 0.838 4.555 55.676 1.00 15.48 O ATOM 0 H TYR B 57 -0.626 10.322 57.909 1.00 23.56 H new ATOM 0 HA TYR B 57 1.406 11.849 57.010 1.00 20.29 H new ATOM 0 HB2 TYR B 57 2.824 10.102 57.063 1.00 20.49 H new ATOM 0 HB3 TYR B 57 1.950 9.852 58.331 1.00 20.49 H new ATOM 0 HD1 TYR B 57 0.019 8.130 58.080 1.00 18.23 H new ATOM 0 HD2 TYR B 57 3.045 8.352 55.449 1.00 19.02 H new ATOM 0 HE1 TYR B 57 -0.402 5.962 57.402 1.00 17.14 H new ATOM 0 HE2 TYR B 57 2.612 6.178 54.767 1.00 16.28 H new ATOM 0 HH TYR B 57 0.095 4.497 55.289 1.00 15.48 H new ATOM 1345 N GLY B 58 1.607 10.961 54.582 1.00 16.41 N ATOM 1346 CA GLY B 58 1.372 10.793 53.161 1.00 17.03 C ATOM 1347 C GLY B 58 2.013 9.541 52.607 1.00 17.40 C ATOM 1348 O GLY B 58 3.217 9.515 52.353 1.00 17.38 O ATOM 0 H GLY B 58 2.409 11.191 54.792 1.00 16.41 H new ATOM 0 HA2 GLY B 58 0.417 10.762 52.997 1.00 17.03 H new ATOM 0 HA3 GLY B 58 1.717 11.565 52.686 1.00 17.03 H new ATOM 1349 N ARG B 59 1.200 8.503 52.421 1.00 17.06 N ATOM 1350 CA ARG B 59 1.660 7.215 51.897 1.00 16.48 C ATOM 1351 C ARG B 59 1.490 7.197 50.396 1.00 16.00 C ATOM 1352 O ARG B 59 0.381 7.371 49.915 1.00 15.98 O ATOM 1353 CB ARG B 59 0.824 6.074 52.486 1.00 16.18 C ATOM 1354 CG ARG B 59 1.091 4.716 51.863 1.00 14.16 C ATOM 1355 CD ARG B 59 -0.116 3.795 51.972 1.00 14.74 C ATOM 1356 NE ARG B 59 -0.044 2.746 50.957 1.00 18.74 N ATOM 1357 CZ ARG B 59 -1.096 2.117 50.441 1.00 19.90 C ATOM 1358 NH1 ARG B 59 -0.920 1.178 49.521 1.00 21.89 N ATOM 1359 NH2 ARG B 59 -2.324 2.424 50.835 1.00 20.53 N ATOM 0 H ARG B 59 0.358 8.525 52.597 1.00 17.06 H new ATOM 0 HA ARG B 59 2.592 7.097 52.138 1.00 16.48 H new ATOM 0 HB2 ARG B 59 0.996 6.020 53.439 1.00 16.18 H new ATOM 0 HB3 ARG B 59 -0.116 6.288 52.379 1.00 16.18 H new ATOM 0 HG2 ARG B 59 1.327 4.830 50.929 1.00 14.16 H new ATOM 0 HG3 ARG B 59 1.852 4.304 52.300 1.00 14.16 H new ATOM 0 HD2 ARG B 59 -0.149 3.397 52.856 1.00 14.74 H new ATOM 0 HD3 ARG B 59 -0.933 4.307 51.861 1.00 14.74 H new ATOM 0 HE ARG B 59 0.735 2.519 50.673 1.00 18.74 H new ATOM 0 HH11 ARG B 59 -0.126 0.976 49.259 1.00 21.89 H new ATOM 0 HH12 ARG B 59 -1.600 0.771 49.187 1.00 21.89 H new ATOM 0 HH21 ARG B 59 -2.445 3.034 51.429 1.00 20.53 H new ATOM 0 HH22 ARG B 59 -2.999 2.013 50.497 1.00 20.53 H new ATOM 1360 N ILE B 60 2.565 6.998 49.642 1.00 15.54 N ATOM 1361 CA ILE B 60 2.378 6.956 48.203 1.00 16.41 C ATOM 1362 C ILE B 60 2.028 5.519 47.834 1.00 15.85 C ATOM 1363 O ILE B 60 2.823 4.601 47.986 1.00 13.82 O ATOM 1364 CB ILE B 60 3.616 7.469 47.407 1.00 16.85 C ATOM 1365 CG1 ILE B 60 4.617 6.357 47.173 1.00 18.53 C ATOM 1366 CG2 ILE B 60 4.276 8.603 48.150 1.00 16.46 C ATOM 1367 CD1 ILE B 60 5.680 6.724 46.161 1.00 22.05 C ATOM 0 H ILE B 60 3.370 6.890 49.926 1.00 15.54 H new ATOM 0 HA ILE B 60 1.661 7.561 47.956 1.00 16.41 H new ATOM 0 HB ILE B 60 3.306 7.786 46.544 1.00 16.85 H new ATOM 0 HG12 ILE B 60 5.043 6.129 48.014 1.00 18.53 H new ATOM 0 HG13 ILE B 60 4.148 5.564 46.869 1.00 18.53 H new ATOM 0 HG21 ILE B 60 5.045 8.915 47.648 1.00 16.46 H new ATOM 0 HG22 ILE B 60 3.644 9.331 48.258 1.00 16.46 H new ATOM 0 HG23 ILE B 60 4.565 8.294 49.023 1.00 16.46 H new ATOM 0 HD11 ILE B 60 6.292 5.980 46.050 1.00 22.05 H new ATOM 0 HD12 ILE B 60 5.261 6.927 45.310 1.00 22.05 H new ATOM 0 HD13 ILE B 60 6.170 7.501 46.473 1.00 22.05 H new ATOM 1368 N ALA B 61 0.792 5.343 47.380 1.00 16.09 N ATOM 1369 CA ALA B 61 0.262 4.043 47.006 1.00 15.93 C ATOM 1370 C ALA B 61 0.295 3.817 45.501 1.00 16.91 C ATOM 1371 O ALA B 61 0.436 4.752 44.716 1.00 17.82 O ATOM 1372 CB ALA B 61 -1.170 3.914 47.519 1.00 14.43 C ATOM 0 H ALA B 61 0.231 5.987 47.280 1.00 16.09 H new ATOM 0 HA ALA B 61 0.826 3.366 47.410 1.00 15.93 H new ATOM 0 HB1 ALA B 61 -1.526 3.047 47.270 1.00 14.43 H new ATOM 0 HB2 ALA B 61 -1.177 4.001 48.485 1.00 14.43 H new ATOM 0 HB3 ALA B 61 -1.718 4.612 47.128 1.00 14.43 H new ATOM 1373 N PRO B 62 0.176 2.554 45.084 1.00 18.09 N ATOM 1374 CA PRO B 62 0.181 2.157 43.673 1.00 19.50 C ATOM 1375 C PRO B 62 -1.157 2.298 42.937 1.00 20.35 C ATOM 1376 O PRO B 62 -2.233 2.021 43.477 1.00 20.21 O ATOM 1377 CB PRO B 62 0.639 0.702 43.735 1.00 19.56 C ATOM 1378 CG PRO B 62 0.057 0.240 45.021 1.00 19.06 C ATOM 1379 CD PRO B 62 0.377 1.379 45.951 1.00 17.55 C ATOM 0 HA PRO B 62 0.753 2.743 43.153 1.00 19.50 H new ATOM 0 HB2 PRO B 62 0.309 0.187 42.983 1.00 19.56 H new ATOM 0 HB3 PRO B 62 1.606 0.627 43.728 1.00 19.56 H new ATOM 0 HG2 PRO B 62 -0.899 0.088 44.951 1.00 19.06 H new ATOM 0 HG3 PRO B 62 0.455 -0.593 45.319 1.00 19.06 H new ATOM 0 HD2 PRO B 62 -0.211 1.393 46.722 1.00 17.55 H new ATOM 0 HD3 PRO B 62 1.285 1.328 46.287 1.00 17.55 H new ATOM 1380 N ARG B 63 -1.074 2.726 41.686 1.00 22.24 N ATOM 1381 CA ARG B 63 -2.260 2.872 40.860 1.00 23.01 C ATOM 1382 C ARG B 63 -2.653 1.452 40.446 1.00 22.52 C ATOM 1383 O ARG B 63 -1.794 0.593 40.307 1.00 23.24 O ATOM 1384 CB ARG B 63 -1.933 3.718 39.626 1.00 24.00 C ATOM 1385 CG ARG B 63 -1.214 5.030 39.928 1.00 25.95 C ATOM 1386 CD ARG B 63 -1.117 5.899 38.673 1.00 31.04 C ATOM 1387 NE ARG B 63 -2.437 6.184 38.104 1.00 34.22 N ATOM 1388 CZ ARG B 63 -3.325 7.020 38.639 1.00 35.97 C ATOM 1389 NH1 ARG B 63 -3.047 7.683 39.761 1.00 34.63 N ATOM 1390 NH2 ARG B 63 -4.515 7.164 38.068 1.00 37.46 N ATOM 0 H ARG B 63 -0.337 2.938 41.296 1.00 22.24 H new ATOM 0 HA ARG B 63 -2.981 3.316 41.333 1.00 23.01 H new ATOM 0 HB2 ARG B 63 -1.383 3.192 39.024 1.00 24.00 H new ATOM 0 HB3 ARG B 63 -2.758 3.916 39.156 1.00 24.00 H new ATOM 0 HG2 ARG B 63 -1.689 5.511 40.623 1.00 25.95 H new ATOM 0 HG3 ARG B 63 -0.324 4.845 40.268 1.00 25.95 H new ATOM 0 HD2 ARG B 63 -0.672 6.733 38.891 1.00 31.04 H new ATOM 0 HD3 ARG B 63 -0.569 5.450 38.010 1.00 31.04 H new ATOM 0 HE ARG B 63 -2.653 5.784 37.374 1.00 34.22 H new ATOM 0 HH11 ARG B 63 -2.287 7.573 40.148 1.00 34.63 H new ATOM 0 HH12 ARG B 63 -3.628 8.220 40.098 1.00 34.63 H new ATOM 0 HH21 ARG B 63 -4.708 6.719 37.358 1.00 37.46 H new ATOM 0 HH22 ARG B 63 -5.093 7.702 38.408 1.00 37.46 H new ATOM 1391 N SER B 64 -3.942 1.203 40.256 1.00 22.47 N ATOM 1392 CA SER B 64 -4.414 -0.125 39.863 1.00 22.93 C ATOM 1393 C SER B 64 -3.916 -0.530 38.487 1.00 22.59 C ATOM 1394 O SER B 64 -3.201 -1.514 38.341 1.00 23.03 O ATOM 1395 CB SER B 64 -5.939 -0.163 39.866 1.00 23.97 C ATOM 1396 OG SER B 64 -6.444 0.385 41.072 1.00 27.14 O ATOM 0 H SER B 64 -4.564 1.789 40.349 1.00 22.47 H new ATOM 0 HA SER B 64 -4.058 -0.753 40.511 1.00 22.93 H new ATOM 0 HB2 SER B 64 -6.282 0.336 39.108 1.00 23.97 H new ATOM 0 HB3 SER B 64 -6.246 -1.078 39.766 1.00 23.97 H new ATOM 0 HG SER B 64 -7.284 0.360 41.061 1.00 27.14 H new ATOM 1397 N GLY B 65 -4.310 0.231 37.476 1.00 22.65 N ATOM 1398 CA GLY B 65 -3.895 -0.066 36.121 1.00 21.89 C ATOM 1399 C GLY B 65 -2.448 -0.492 36.030 1.00 21.57 C ATOM 1400 O GLY B 65 -2.152 -1.614 35.619 1.00 20.84 O ATOM 0 H GLY B 65 -4.816 0.922 37.556 1.00 22.65 H new ATOM 0 HA2 GLY B 65 -4.458 -0.770 35.762 1.00 21.89 H new ATOM 0 HA3 GLY B 65 -4.032 0.718 35.566 1.00 21.89 H new ATOM 1401 N LEU B 66 -1.542 0.398 36.422 1.00 21.57 N ATOM 1402 CA LEU B 66 -0.119 0.095 36.360 1.00 21.16 C ATOM 1403 C LEU B 66 0.226 -1.246 36.986 1.00 22.01 C ATOM 1404 O LEU B 66 1.000 -2.011 36.428 1.00 22.59 O ATOM 1405 CB LEU B 66 0.701 1.202 37.034 1.00 19.56 C ATOM 1406 CG LEU B 66 0.576 2.610 36.442 1.00 16.74 C ATOM 1407 CD1 LEU B 66 1.808 3.426 36.765 1.00 15.86 C ATOM 1408 CD2 LEU B 66 0.427 2.513 34.949 1.00 17.14 C ATOM 0 H LEU B 66 -1.731 1.180 36.726 1.00 21.57 H new ATOM 0 HA LEU B 66 0.108 0.045 35.418 1.00 21.16 H new ATOM 0 HB2 LEU B 66 0.444 1.243 37.968 1.00 19.56 H new ATOM 0 HB3 LEU B 66 1.636 0.945 37.008 1.00 19.56 H new ATOM 0 HG LEU B 66 -0.202 3.043 36.826 1.00 16.74 H new ATOM 0 HD11 LEU B 66 1.717 4.314 36.385 1.00 15.86 H new ATOM 0 HD12 LEU B 66 1.908 3.495 37.727 1.00 15.86 H new ATOM 0 HD13 LEU B 66 2.591 2.993 36.390 1.00 15.86 H new ATOM 0 HD21 LEU B 66 0.348 3.404 34.573 1.00 17.14 H new ATOM 0 HD22 LEU B 66 1.205 2.072 34.574 1.00 17.14 H new ATOM 0 HD23 LEU B 66 -0.368 2.000 34.736 1.00 17.14 H new ATOM 1409 N ALA B 67 -0.353 -1.533 38.145 1.00 22.77 N ATOM 1410 CA ALA B 67 -0.078 -2.789 38.834 1.00 23.13 C ATOM 1411 C ALA B 67 -0.638 -3.959 38.050 1.00 23.95 C ATOM 1412 O ALA B 67 0.046 -4.958 37.826 1.00 24.31 O ATOM 1413 CB ALA B 67 -0.681 -2.756 40.231 1.00 21.82 C ATOM 0 H ALA B 67 -0.908 -1.015 38.550 1.00 22.77 H new ATOM 0 HA ALA B 67 0.883 -2.901 38.906 1.00 23.13 H new ATOM 0 HB1 ALA B 67 -0.495 -3.593 40.684 1.00 21.82 H new ATOM 0 HB2 ALA B 67 -0.292 -2.023 40.734 1.00 21.82 H new ATOM 0 HB3 ALA B 67 -1.641 -2.630 40.167 1.00 21.82 H new ATOM 1414 N TYR B 68 -1.890 -3.811 37.625 1.00 25.67 N ATOM 1415 CA TYR B 68 -2.597 -4.838 36.870 1.00 26.54 C ATOM 1416 C TYR B 68 -2.064 -5.098 35.464 1.00 26.10 C ATOM 1417 O TYR B 68 -1.815 -6.246 35.103 1.00 25.93 O ATOM 1418 CB TYR B 68 -4.086 -4.493 36.779 1.00 27.72 C ATOM 1419 CG TYR B 68 -4.850 -5.456 35.901 1.00 30.33 C ATOM 1420 CD1 TYR B 68 -5.471 -5.022 34.731 1.00 31.90 C ATOM 1421 CD2 TYR B 68 -4.925 -6.812 36.223 1.00 30.49 C ATOM 1422 CE1 TYR B 68 -6.149 -5.918 33.896 1.00 32.91 C ATOM 1423 CE2 TYR B 68 -5.596 -7.712 35.402 1.00 32.21 C ATOM 1424 CZ TYR B 68 -6.207 -7.261 34.237 1.00 33.04 C ATOM 1425 OH TYR B 68 -6.873 -8.153 33.416 1.00 33.26 O ATOM 0 H TYR B 68 -2.357 -3.103 37.769 1.00 25.67 H new ATOM 0 HA TYR B 68 -2.448 -5.657 37.369 1.00 26.54 H new ATOM 0 HB2 TYR B 68 -4.471 -4.497 37.669 1.00 27.72 H new ATOM 0 HB3 TYR B 68 -4.186 -3.593 36.431 1.00 27.72 H new ATOM 0 HD1 TYR B 68 -5.434 -4.122 34.501 1.00 31.90 H new ATOM 0 HD2 TYR B 68 -4.519 -7.119 37.001 1.00 30.49 H new ATOM 0 HE1 TYR B 68 -6.558 -5.615 33.118 1.00 32.91 H new ATOM 0 HE2 TYR B 68 -5.636 -8.612 35.631 1.00 32.21 H new ATOM 0 HH TYR B 68 -6.826 -8.925 33.744 1.00 33.26 H new ATOM 1426 N LYS B 69 -1.893 -4.040 34.675 1.00 25.63 N ATOM 1427 CA LYS B 69 -1.413 -4.185 33.305 1.00 25.46 C ATOM 1428 C LYS B 69 0.065 -4.500 33.193 1.00 24.88 C ATOM 1429 O LYS B 69 0.433 -5.565 32.720 1.00 25.68 O ATOM 1430 CB LYS B 69 -1.714 -2.924 32.491 1.00 26.76 C ATOM 1431 CG LYS B 69 -3.190 -2.571 32.421 1.00 29.46 C ATOM 1432 CD LYS B 69 -3.401 -1.117 31.999 1.00 32.42 C ATOM 1433 CE LYS B 69 -4.777 -0.597 32.444 1.00 34.03 C ATOM 1434 NZ LYS B 69 -4.900 0.893 32.312 1.00 35.60 N ATOM 0 H LYS B 69 -2.050 -3.229 34.915 1.00 25.63 H new ATOM 0 HA LYS B 69 -1.893 -4.949 32.949 1.00 25.46 H new ATOM 0 HB2 LYS B 69 -1.230 -2.177 32.878 1.00 26.76 H new ATOM 0 HB3 LYS B 69 -1.377 -3.044 31.590 1.00 26.76 H new ATOM 0 HG2 LYS B 69 -3.635 -3.159 31.791 1.00 29.46 H new ATOM 0 HG3 LYS B 69 -3.601 -2.720 33.287 1.00 29.46 H new ATOM 0 HD2 LYS B 69 -2.704 -0.563 32.384 1.00 32.42 H new ATOM 0 HD3 LYS B 69 -3.322 -1.044 31.035 1.00 32.42 H new ATOM 0 HE2 LYS B 69 -5.468 -1.024 31.913 1.00 34.03 H new ATOM 0 HE3 LYS B 69 -4.932 -0.851 33.367 1.00 34.03 H new ATOM 0 HZ1 LYS B 69 -5.709 1.149 32.580 1.00 35.60 H new ATOM 0 HZ2 LYS B 69 -4.282 1.288 32.817 1.00 35.60 H new ATOM 0 HZ3 LYS B 69 -4.782 1.127 31.461 1.00 35.60 H new ATOM 1435 N TYR B 70 0.914 -3.588 33.642 1.00 24.25 N ATOM 1436 CA TYR B 70 2.355 -3.779 33.533 1.00 24.18 C ATOM 1437 C TYR B 70 3.075 -4.427 34.715 1.00 23.71 C ATOM 1438 O TYR B 70 4.301 -4.557 34.696 1.00 22.86 O ATOM 1439 CB TYR B 70 2.986 -2.439 33.206 1.00 26.67 C ATOM 1440 CG TYR B 70 2.157 -1.677 32.198 1.00 30.89 C ATOM 1441 CD1 TYR B 70 1.292 -0.652 32.598 1.00 32.18 C ATOM 1442 CD2 TYR B 70 2.201 -2.010 30.846 1.00 31.87 C ATOM 1443 CE1 TYR B 70 0.492 0.017 31.670 1.00 33.54 C ATOM 1444 CE2 TYR B 70 1.409 -1.351 29.914 1.00 32.86 C ATOM 1445 CZ TYR B 70 0.559 -0.341 30.324 1.00 33.62 C ATOM 1446 OH TYR B 70 -0.210 0.308 29.379 1.00 34.21 O ATOM 0 H TYR B 70 0.678 -2.850 34.014 1.00 24.25 H new ATOM 0 HA TYR B 70 2.468 -4.436 32.829 1.00 24.18 H new ATOM 0 HB2 TYR B 70 3.076 -1.915 34.017 1.00 26.67 H new ATOM 0 HB3 TYR B 70 3.880 -2.576 32.856 1.00 26.67 H new ATOM 0 HD1 TYR B 70 1.250 -0.413 33.496 1.00 32.18 H new ATOM 0 HD2 TYR B 70 2.772 -2.687 30.562 1.00 31.87 H new ATOM 0 HE1 TYR B 70 -0.081 0.695 31.947 1.00 33.54 H new ATOM 0 HE2 TYR B 70 1.451 -1.589 29.016 1.00 32.86 H new ATOM 0 HH TYR B 70 -0.057 -0.019 28.621 1.00 34.21 H new ATOM 1447 N GLY B 71 2.316 -4.839 35.731 1.00 23.29 N ATOM 1448 CA GLY B 71 2.895 -5.483 36.905 1.00 22.31 C ATOM 1449 C GLY B 71 3.839 -4.613 37.722 1.00 21.68 C ATOM 1450 O GLY B 71 4.949 -5.033 38.067 1.00 20.04 O ATOM 0 H GLY B 71 1.461 -4.753 35.758 1.00 23.29 H new ATOM 0 HA2 GLY B 71 2.174 -5.782 37.481 1.00 22.31 H new ATOM 0 HA3 GLY B 71 3.375 -6.275 36.618 1.00 22.31 H new ATOM 1451 N ILE B 72 3.388 -3.405 38.052 1.00 20.95 N ATOM 1452 CA ILE B 72 4.203 -2.465 38.810 1.00 20.44 C ATOM 1453 C ILE B 72 3.776 -2.288 40.265 1.00 19.60 C ATOM 1454 O ILE B 72 2.597 -2.389 40.611 1.00 19.44 O ATOM 1455 CB ILE B 72 4.235 -1.100 38.108 1.00 20.43 C ATOM 1456 CG1 ILE B 72 4.937 -1.251 36.767 1.00 20.37 C ATOM 1457 CG2 ILE B 72 4.969 -0.083 38.957 1.00 20.51 C ATOM 1458 CD1 ILE B 72 5.191 0.046 36.095 1.00 23.10 C ATOM 0 H ILE B 72 2.607 -3.111 37.844 1.00 20.95 H new ATOM 0 HA ILE B 72 5.091 -2.855 38.837 1.00 20.44 H new ATOM 0 HB ILE B 72 3.326 -0.789 37.974 1.00 20.43 H new ATOM 0 HG12 ILE B 72 5.781 -1.711 36.900 1.00 20.37 H new ATOM 0 HG13 ILE B 72 4.397 -1.810 36.186 1.00 20.37 H new ATOM 0 HG21 ILE B 72 4.980 0.773 38.500 1.00 20.51 H new ATOM 0 HG22 ILE B 72 4.518 0.013 39.810 1.00 20.51 H new ATOM 0 HG23 ILE B 72 5.880 -0.382 39.105 1.00 20.51 H new ATOM 0 HD11 ILE B 72 5.638 -0.110 35.249 1.00 23.10 H new ATOM 0 HD12 ILE B 72 4.348 0.499 35.936 1.00 23.10 H new ATOM 0 HD13 ILE B 72 5.753 0.599 36.660 1.00 23.10 H new ATOM 1459 N ASP B 73 4.758 -2.023 41.116 1.00 18.47 N ATOM 1460 CA ASP B 73 4.496 -1.857 42.532 1.00 17.63 C ATOM 1461 C ASP B 73 5.224 -0.638 43.095 1.00 15.92 C ATOM 1462 O ASP B 73 6.071 -0.054 42.420 1.00 15.54 O ATOM 1463 CB ASP B 73 4.934 -3.112 43.275 1.00 17.67 C ATOM 1464 CG ASP B 73 4.297 -3.221 44.621 1.00 20.02 C ATOM 1465 OD1 ASP B 73 4.750 -4.061 45.425 1.00 22.61 O ATOM 1466 OD2 ASP B 73 3.333 -2.467 44.871 1.00 20.04 O ATOM 0 H ASP B 73 5.583 -1.936 40.891 1.00 18.47 H new ATOM 0 HA ASP B 73 3.544 -1.715 42.653 1.00 17.63 H new ATOM 0 HB2 ASP B 73 4.708 -3.894 42.747 1.00 17.67 H new ATOM 0 HB3 ASP B 73 5.899 -3.107 43.375 1.00 17.67 H new ATOM 1467 N VAL B 74 4.895 -0.270 44.332 1.00 14.07 N ATOM 1468 CA VAL B 74 5.500 0.882 45.001 1.00 12.70 C ATOM 1469 C VAL B 74 6.241 0.490 46.273 1.00 13.28 C ATOM 1470 O VAL B 74 5.622 -0.042 47.211 1.00 15.14 O ATOM 1471 CB VAL B 74 4.432 1.925 45.397 1.00 11.31 C ATOM 1472 CG1 VAL B 74 5.058 3.009 46.253 1.00 7.76 C ATOM 1473 CG2 VAL B 74 3.799 2.523 44.157 1.00 10.42 C ATOM 0 H VAL B 74 4.311 -0.684 44.810 1.00 14.07 H new ATOM 0 HA VAL B 74 6.125 1.255 44.360 1.00 12.70 H new ATOM 0 HB VAL B 74 3.738 1.486 45.913 1.00 11.31 H new ATOM 0 HG11 VAL B 74 4.381 3.660 46.497 1.00 7.76 H new ATOM 0 HG12 VAL B 74 5.430 2.613 47.056 1.00 7.76 H new ATOM 0 HG13 VAL B 74 5.764 3.449 45.753 1.00 7.76 H new ATOM 0 HG21 VAL B 74 3.131 3.176 44.417 1.00 10.42 H new ATOM 0 HG22 VAL B 74 4.482 2.956 43.622 1.00 10.42 H new ATOM 0 HG23 VAL B 74 3.379 1.820 43.637 1.00 10.42 H new ATOM 1474 N LEU B 75 7.548 0.781 46.307 1.00 12.29 N ATOM 1475 CA LEU B 75 8.414 0.475 47.458 1.00 13.54 C ATOM 1476 C LEU B 75 8.469 1.625 48.466 1.00 14.07 C ATOM 1477 O LEU B 75 8.295 2.786 48.101 1.00 16.19 O ATOM 1478 CB LEU B 75 9.847 0.194 47.000 1.00 11.74 C ATOM 1479 CG LEU B 75 10.168 -0.962 46.067 1.00 12.28 C ATOM 1480 CD1 LEU B 75 11.665 -1.063 45.846 1.00 9.07 C ATOM 1481 CD2 LEU B 75 9.641 -2.215 46.685 1.00 11.57 C ATOM 0 H LEU B 75 7.961 1.165 45.657 1.00 12.29 H new ATOM 0 HA LEU B 75 8.027 -0.306 47.883 1.00 13.54 H new ATOM 0 HB2 LEU B 75 10.169 1.002 46.570 1.00 11.74 H new ATOM 0 HB3 LEU B 75 10.379 0.067 47.801 1.00 11.74 H new ATOM 0 HG LEU B 75 9.753 -0.820 45.202 1.00 12.28 H new ATOM 0 HD11 LEU B 75 11.855 -1.804 45.250 1.00 9.07 H new ATOM 0 HD12 LEU B 75 11.990 -0.239 45.451 1.00 9.07 H new ATOM 0 HD13 LEU B 75 12.109 -1.211 46.696 1.00 9.07 H new ATOM 0 HD21 LEU B 75 9.835 -2.968 46.105 1.00 11.57 H new ATOM 0 HD22 LEU B 75 10.064 -2.354 47.547 1.00 11.57 H new ATOM 0 HD23 LEU B 75 8.681 -2.138 46.805 1.00 11.57 H new ATOM 1482 N ALA B 76 8.744 1.317 49.729 1.00 14.15 N ATOM 1483 CA ALA B 76 8.813 2.370 50.731 1.00 14.26 C ATOM 1484 C ALA B 76 7.486 3.094 50.614 1.00 14.03 C ATOM 1485 O ALA B 76 6.424 2.463 50.667 1.00 14.32 O ATOM 1486 CB ALA B 76 9.960 3.315 50.409 1.00 13.73 C ATOM 0 H ALA B 76 8.891 0.522 50.021 1.00 14.15 H new ATOM 0 HA ALA B 76 8.967 2.027 51.625 1.00 14.26 H new ATOM 0 HB1 ALA B 76 10.001 4.015 51.080 1.00 13.73 H new ATOM 0 HB2 ALA B 76 10.795 2.821 50.405 1.00 13.73 H new ATOM 0 HB3 ALA B 76 9.816 3.713 49.536 1.00 13.73 H new ATOM 1487 N GLY B 77 7.546 4.412 50.451 1.00 13.73 N ATOM 1488 CA GLY B 77 6.331 5.186 50.275 1.00 13.50 C ATOM 1489 C GLY B 77 5.776 5.965 51.446 1.00 13.14 C ATOM 1490 O GLY B 77 4.717 6.584 51.317 1.00 12.89 O ATOM 0 H GLY B 77 8.274 4.870 50.440 1.00 13.73 H new ATOM 0 HA2 GLY B 77 6.488 5.815 49.554 1.00 13.50 H new ATOM 0 HA3 GLY B 77 5.638 4.577 49.975 1.00 13.50 H new ATOM 1491 N VAL B 78 6.466 5.936 52.584 1.00 13.96 N ATOM 1492 CA VAL B 78 6.014 6.671 53.758 1.00 15.30 C ATOM 1493 C VAL B 78 6.572 8.088 53.691 1.00 16.96 C ATOM 1494 O VAL B 78 7.779 8.273 53.774 1.00 16.87 O ATOM 1495 CB VAL B 78 6.509 6.006 55.081 1.00 15.10 C ATOM 1496 CG1 VAL B 78 6.144 6.883 56.282 1.00 15.15 C ATOM 1497 CG2 VAL B 78 5.895 4.621 55.244 1.00 13.93 C ATOM 0 H VAL B 78 7.197 5.497 52.695 1.00 13.96 H new ATOM 0 HA VAL B 78 5.044 6.672 53.760 1.00 15.30 H new ATOM 0 HB VAL B 78 7.474 5.916 55.037 1.00 15.10 H new ATOM 0 HG11 VAL B 78 6.456 6.461 57.098 1.00 15.15 H new ATOM 0 HG12 VAL B 78 6.564 7.752 56.187 1.00 15.15 H new ATOM 0 HG13 VAL B 78 5.181 6.992 56.323 1.00 15.15 H new ATOM 0 HG21 VAL B 78 6.212 4.221 56.069 1.00 13.93 H new ATOM 0 HG22 VAL B 78 4.928 4.697 55.272 1.00 13.93 H new ATOM 0 HG23 VAL B 78 6.154 4.062 54.495 1.00 13.93 H new ATOM 1498 N ILE B 79 5.700 9.079 53.518 1.00 19.73 N ATOM 1499 CA ILE B 79 6.130 10.479 53.470 1.00 22.89 C ATOM 1500 C ILE B 79 5.697 11.184 54.751 1.00 25.44 C ATOM 1501 O ILE B 79 4.511 11.434 54.967 1.00 24.94 O ATOM 1502 CB ILE B 79 5.538 11.222 52.260 1.00 22.59 C ATOM 1503 CG1 ILE B 79 6.034 10.570 50.971 1.00 22.20 C ATOM 1504 CG2 ILE B 79 5.965 12.690 52.286 1.00 23.05 C ATOM 1505 CD1 ILE B 79 5.764 11.385 49.750 1.00 21.04 C ATOM 0 H ILE B 79 4.853 8.963 53.426 1.00 19.73 H new ATOM 0 HA ILE B 79 7.096 10.489 53.383 1.00 22.89 H new ATOM 0 HB ILE B 79 4.570 11.173 52.300 1.00 22.59 H new ATOM 0 HG12 ILE B 79 6.989 10.414 51.042 1.00 22.20 H new ATOM 0 HG13 ILE B 79 5.611 9.703 50.872 1.00 22.20 H new ATOM 0 HG21 ILE B 79 5.588 13.151 51.520 1.00 23.05 H new ATOM 0 HG22 ILE B 79 5.646 13.106 53.102 1.00 23.05 H new ATOM 0 HG23 ILE B 79 6.933 12.746 52.252 1.00 23.05 H new ATOM 0 HD11 ILE B 79 6.101 10.919 48.969 1.00 21.04 H new ATOM 0 HD12 ILE B 79 4.808 11.522 49.657 1.00 21.04 H new ATOM 0 HD13 ILE B 79 6.207 12.244 49.830 1.00 21.04 H new ATOM 1506 N ASP B 80 6.674 11.504 55.594 1.00 28.81 N ATOM 1507 CA ASP B 80 6.412 12.138 56.882 1.00 32.89 C ATOM 1508 C ASP B 80 5.935 13.581 56.813 1.00 35.79 C ATOM 1509 O ASP B 80 6.246 14.313 55.877 1.00 36.86 O ATOM 1510 CB ASP B 80 7.660 12.055 57.761 1.00 32.44 C ATOM 1511 CG ASP B 80 8.293 10.674 57.748 1.00 33.51 C ATOM 1512 OD1 ASP B 80 9.138 10.418 56.864 1.00 34.07 O ATOM 1513 OD2 ASP B 80 7.940 9.838 58.614 1.00 34.44 O ATOM 0 H ASP B 80 7.507 11.360 55.436 1.00 28.81 H new ATOM 0 HA ASP B 80 5.673 11.640 57.264 1.00 32.89 H new ATOM 0 HB2 ASP B 80 8.310 12.708 57.457 1.00 32.44 H new ATOM 0 HB3 ASP B 80 7.426 12.291 58.672 1.00 32.44 H new ATOM 1514 N GLU B 81 5.174 13.977 57.825 1.00 39.00 N ATOM 1515 CA GLU B 81 4.630 15.326 57.928 1.00 41.70 C ATOM 1516 C GLU B 81 5.731 16.380 57.800 1.00 41.73 C ATOM 1517 O GLU B 81 5.596 17.366 57.077 1.00 41.37 O ATOM 1518 CB GLU B 81 3.932 15.468 59.279 1.00 44.56 C ATOM 1519 CG GLU B 81 3.235 16.791 59.518 1.00 48.88 C ATOM 1520 CD GLU B 81 2.488 16.811 60.849 1.00 51.79 C ATOM 1521 OE1 GLU B 81 1.744 17.788 61.094 1.00 53.84 O ATOM 1522 OE2 GLU B 81 2.647 15.852 61.646 1.00 52.16 O ATOM 0 H GLU B 81 4.956 13.464 58.480 1.00 39.00 H new ATOM 0 HA GLU B 81 4.000 15.468 57.204 1.00 41.70 H new ATOM 0 HB2 GLU B 81 3.279 14.756 59.364 1.00 44.56 H new ATOM 0 HB3 GLU B 81 4.589 15.335 59.980 1.00 44.56 H new ATOM 0 HG2 GLU B 81 3.889 17.507 59.504 1.00 48.88 H new ATOM 0 HG3 GLU B 81 2.611 16.962 58.795 1.00 48.88 H new ATOM 1523 N ASP B 82 6.828 16.152 58.508 1.00 41.99 N ATOM 1524 CA ASP B 82 7.955 17.068 58.501 1.00 42.83 C ATOM 1525 C ASP B 82 8.946 16.828 57.364 1.00 44.08 C ATOM 1526 O ASP B 82 10.158 16.830 57.596 1.00 44.91 O ATOM 1527 CB ASP B 82 8.701 16.961 59.822 1.00 42.50 C ATOM 1528 CG ASP B 82 9.193 15.560 60.088 1.00 42.23 C ATOM 1529 OD1 ASP B 82 9.871 15.344 61.108 1.00 42.76 O ATOM 1530 OD2 ASP B 82 8.898 14.666 59.275 1.00 43.16 O ATOM 0 H ASP B 82 6.939 15.460 59.007 1.00 41.99 H new ATOM 0 HA ASP B 82 7.580 17.953 58.368 1.00 42.83 H new ATOM 0 HB2 ASP B 82 9.455 17.571 59.816 1.00 42.50 H new ATOM 0 HB3 ASP B 82 8.117 17.239 60.545 1.00 42.50 H new ATOM 1531 N TYR B 83 8.451 16.615 56.145 1.00 44.44 N ATOM 1532 CA TYR B 83 9.338 16.397 54.999 1.00 43.97 C ATOM 1533 C TYR B 83 9.376 17.637 54.104 1.00 44.41 C ATOM 1534 O TYR B 83 8.331 18.180 53.711 1.00 44.14 O ATOM 1535 CB TYR B 83 8.893 15.183 54.180 1.00 43.25 C ATOM 1536 CG TYR B 83 9.836 14.855 53.038 1.00 43.10 C ATOM 1537 CD1 TYR B 83 11.206 14.696 53.264 1.00 42.69 C ATOM 1538 CD2 TYR B 83 9.362 14.695 51.738 1.00 43.31 C ATOM 1539 CE1 TYR B 83 12.075 14.386 52.226 1.00 42.23 C ATOM 1540 CE2 TYR B 83 10.228 14.385 50.690 1.00 42.80 C ATOM 1541 CZ TYR B 83 11.581 14.235 50.943 1.00 42.50 C ATOM 1542 OH TYR B 83 12.446 13.960 49.911 1.00 43.02 O ATOM 0 H TYR B 83 7.611 16.593 55.960 1.00 44.44 H new ATOM 0 HA TYR B 83 10.228 16.227 55.345 1.00 43.97 H new ATOM 0 HB2 TYR B 83 8.823 14.413 54.766 1.00 43.25 H new ATOM 0 HB3 TYR B 83 8.007 15.349 53.823 1.00 43.25 H new ATOM 0 HD1 TYR B 83 11.542 14.800 54.125 1.00 42.69 H new ATOM 0 HD2 TYR B 83 8.454 14.797 51.566 1.00 43.31 H new ATOM 0 HE1 TYR B 83 12.984 14.281 52.393 1.00 42.23 H new ATOM 0 HE2 TYR B 83 9.899 14.280 49.827 1.00 42.80 H new ATOM 0 HH TYR B 83 12.068 14.121 49.178 1.00 43.02 H new ATOM 1543 N THR B 84 10.588 18.073 53.774 1.00 44.13 N ATOM 1544 CA THR B 84 10.757 19.262 52.955 1.00 44.31 C ATOM 1545 C THR B 84 11.425 18.982 51.628 1.00 43.04 C ATOM 1546 O THR B 84 11.543 19.874 50.790 1.00 43.43 O ATOM 1547 CB THR B 84 11.606 20.302 53.688 1.00 45.77 C ATOM 1548 OG1 THR B 84 11.762 19.906 55.060 1.00 47.37 O ATOM 1549 CG2 THR B 84 10.939 21.678 53.614 1.00 46.19 C ATOM 0 H THR B 84 11.322 17.694 54.015 1.00 44.13 H new ATOM 0 HA THR B 84 9.860 19.591 52.787 1.00 44.31 H new ATOM 0 HB THR B 84 12.477 20.358 53.266 1.00 45.77 H new ATOM 0 HG1 THR B 84 12.229 20.475 55.465 1.00 47.37 H new ATOM 0 HG21 THR B 84 11.486 22.328 54.082 1.00 46.19 H new ATOM 0 HG22 THR B 84 10.845 21.943 52.686 1.00 46.19 H new ATOM 0 HG23 THR B 84 10.063 21.636 54.028 1.00 46.19 H new ATOM 1550 N GLY B 85 11.872 17.747 51.441 1.00 41.65 N ATOM 1551 CA GLY B 85 12.540 17.394 50.203 1.00 39.54 C ATOM 1552 C GLY B 85 11.557 17.053 49.111 1.00 37.76 C ATOM 1553 O GLY B 85 10.346 17.084 49.331 1.00 37.81 O ATOM 0 H GLY B 85 11.799 17.108 52.012 1.00 41.65 H new ATOM 0 HA2 GLY B 85 13.099 18.133 49.915 1.00 39.54 H new ATOM 0 HA3 GLY B 85 13.127 16.637 50.357 1.00 39.54 H new ATOM 1554 N GLU B 86 12.081 16.736 47.931 1.00 36.35 N ATOM 1555 CA GLU B 86 11.247 16.371 46.793 1.00 35.29 C ATOM 1556 C GLU B 86 10.715 14.966 47.033 1.00 34.02 C ATOM 1557 O GLU B 86 11.433 14.106 47.544 1.00 34.24 O ATOM 1558 CB GLU B 86 12.065 16.384 45.496 1.00 36.02 C ATOM 1559 CG GLU B 86 11.239 16.102 44.241 1.00 37.65 C ATOM 1560 CD GLU B 86 12.091 15.900 42.993 1.00 38.04 C ATOM 1561 OE1 GLU B 86 11.514 15.741 41.894 1.00 36.41 O ATOM 1562 OE2 GLU B 86 13.337 15.895 43.110 1.00 38.92 O ATOM 0 H GLU B 86 12.926 16.727 47.769 1.00 36.35 H new ATOM 0 HA GLU B 86 10.522 17.009 46.704 1.00 35.29 H new ATOM 0 HB2 GLU B 86 12.494 17.249 45.403 1.00 36.02 H new ATOM 0 HB3 GLU B 86 12.772 15.723 45.563 1.00 36.02 H new ATOM 0 HG2 GLU B 86 10.699 15.310 44.388 1.00 37.65 H new ATOM 0 HG3 GLU B 86 10.627 16.839 44.092 1.00 37.65 H new ATOM 1563 N VAL B 87 9.456 14.731 46.679 1.00 32.14 N ATOM 1564 CA VAL B 87 8.879 13.407 46.860 1.00 28.96 C ATOM 1565 C VAL B 87 9.385 12.493 45.764 1.00 27.48 C ATOM 1566 O VAL B 87 9.287 12.815 44.581 1.00 26.60 O ATOM 1567 CB VAL B 87 7.348 13.428 46.786 1.00 28.32 C ATOM 1568 CG1 VAL B 87 6.823 12.006 46.664 1.00 28.17 C ATOM 1569 CG2 VAL B 87 6.782 14.097 48.021 1.00 27.36 C ATOM 0 H VAL B 87 8.926 15.316 46.337 1.00 32.14 H new ATOM 0 HA VAL B 87 9.142 13.093 47.739 1.00 28.96 H new ATOM 0 HB VAL B 87 7.070 13.933 46.006 1.00 28.32 H new ATOM 0 HG11 VAL B 87 5.854 12.021 46.617 1.00 28.17 H new ATOM 0 HG12 VAL B 87 7.179 11.597 45.859 1.00 28.17 H new ATOM 0 HG13 VAL B 87 7.101 11.491 47.437 1.00 28.17 H new ATOM 0 HG21 VAL B 87 5.813 14.107 47.969 1.00 27.36 H new ATOM 0 HG22 VAL B 87 7.057 13.605 48.811 1.00 27.36 H new ATOM 0 HG23 VAL B 87 7.112 15.007 48.076 1.00 27.36 H new ATOM 1570 N LYS B 88 9.938 11.357 46.166 1.00 25.86 N ATOM 1571 CA LYS B 88 10.443 10.379 45.214 1.00 24.58 C ATOM 1572 C LYS B 88 9.513 9.166 45.256 1.00 23.95 C ATOM 1573 O LYS B 88 9.236 8.639 46.338 1.00 25.26 O ATOM 1574 CB LYS B 88 11.864 9.956 45.593 1.00 23.17 C ATOM 1575 CG LYS B 88 12.877 11.080 45.587 1.00 22.92 C ATOM 1576 CD LYS B 88 13.114 11.630 44.179 1.00 22.81 C ATOM 1577 CE LYS B 88 14.286 12.612 44.156 1.00 21.73 C ATOM 1578 NZ LYS B 88 15.536 12.022 44.734 1.00 19.55 N ATOM 0 H LYS B 88 10.031 11.132 46.991 1.00 25.86 H new ATOM 0 HA LYS B 88 10.469 10.760 44.323 1.00 24.58 H new ATOM 0 HB2 LYS B 88 11.845 9.557 46.477 1.00 23.17 H new ATOM 0 HB3 LYS B 88 12.159 9.267 44.977 1.00 23.17 H new ATOM 0 HG2 LYS B 88 12.569 11.795 46.165 1.00 22.92 H new ATOM 0 HG3 LYS B 88 13.716 10.760 45.954 1.00 22.92 H new ATOM 0 HD2 LYS B 88 13.291 10.897 43.569 1.00 22.81 H new ATOM 0 HD3 LYS B 88 12.311 12.074 43.863 1.00 22.81 H new ATOM 0 HE2 LYS B 88 14.455 12.889 43.242 1.00 21.73 H new ATOM 0 HE3 LYS B 88 14.047 13.409 44.654 1.00 21.73 H new ATOM 0 HZ1 LYS B 88 16.240 12.299 44.265 1.00 19.55 H new ATOM 0 HZ2 LYS B 88 15.623 12.282 45.581 1.00 19.55 H new ATOM 0 HZ3 LYS B 88 15.489 11.134 44.700 1.00 19.55 H new ATOM 1579 N VAL B 89 9.011 8.741 44.095 1.00 21.68 N ATOM 1580 CA VAL B 89 8.135 7.568 44.026 1.00 18.95 C ATOM 1581 C VAL B 89 9.002 6.418 43.573 1.00 17.74 C ATOM 1582 O VAL B 89 9.256 6.276 42.388 1.00 17.31 O ATOM 1583 CB VAL B 89 7.003 7.739 42.994 1.00 17.84 C ATOM 1584 CG1 VAL B 89 6.259 6.435 42.829 1.00 16.71 C ATOM 1585 CG2 VAL B 89 6.051 8.819 43.442 1.00 17.55 C ATOM 0 H VAL B 89 9.165 9.117 43.337 1.00 21.68 H new ATOM 0 HA VAL B 89 7.724 7.427 44.893 1.00 18.95 H new ATOM 0 HB VAL B 89 7.390 7.995 42.142 1.00 17.84 H new ATOM 0 HG11 VAL B 89 5.548 6.548 42.179 1.00 16.71 H new ATOM 0 HG12 VAL B 89 6.872 5.749 42.521 1.00 16.71 H new ATOM 0 HG13 VAL B 89 5.878 6.169 43.681 1.00 16.71 H new ATOM 0 HG21 VAL B 89 5.343 8.919 42.787 1.00 17.55 H new ATOM 0 HG22 VAL B 89 5.666 8.576 44.299 1.00 17.55 H new ATOM 0 HG23 VAL B 89 6.531 9.658 43.529 1.00 17.55 H new ATOM 1586 N ILE B 90 9.470 5.594 44.500 1.00 17.15 N ATOM 1587 CA ILE B 90 10.323 4.503 44.064 1.00 16.38 C ATOM 1588 C ILE B 90 9.503 3.269 43.667 1.00 16.22 C ATOM 1589 O ILE B 90 8.855 2.609 44.485 1.00 15.98 O ATOM 1590 CB ILE B 90 11.470 4.220 45.108 1.00 16.04 C ATOM 1591 CG1 ILE B 90 11.347 2.841 45.714 1.00 16.71 C ATOM 1592 CG2 ILE B 90 11.476 5.284 46.196 1.00 13.69 C ATOM 1593 CD1 ILE B 90 12.491 2.544 46.639 1.00 19.14 C ATOM 0 H ILE B 90 9.316 5.643 45.345 1.00 17.15 H new ATOM 0 HA ILE B 90 10.779 4.772 43.251 1.00 16.38 H new ATOM 0 HB ILE B 90 12.314 4.255 44.632 1.00 16.04 H new ATOM 0 HG12 ILE B 90 10.510 2.773 46.200 1.00 16.71 H new ATOM 0 HG13 ILE B 90 11.320 2.177 45.008 1.00 16.71 H new ATOM 0 HG21 ILE B 90 12.186 5.096 46.829 1.00 13.69 H new ATOM 0 HG22 ILE B 90 11.623 6.155 45.796 1.00 13.69 H new ATOM 0 HG23 ILE B 90 10.623 5.280 46.657 1.00 13.69 H new ATOM 0 HD11 ILE B 90 12.384 1.655 47.011 1.00 19.14 H new ATOM 0 HD12 ILE B 90 13.326 2.590 46.147 1.00 19.14 H new ATOM 0 HD13 ILE B 90 12.504 3.195 47.358 1.00 19.14 H new ATOM 1594 N LEU B 91 9.517 3.020 42.359 1.00 16.35 N ATOM 1595 CA LEU B 91 8.792 1.931 41.719 1.00 16.19 C ATOM 1596 C LEU B 91 9.637 0.669 41.510 1.00 16.61 C ATOM 1597 O LEU B 91 10.822 0.742 41.174 1.00 17.54 O ATOM 1598 CB LEU B 91 8.281 2.406 40.359 1.00 15.93 C ATOM 1599 CG LEU B 91 7.339 3.601 40.274 1.00 15.64 C ATOM 1600 CD1 LEU B 91 7.372 4.184 38.876 1.00 15.38 C ATOM 1601 CD2 LEU B 91 5.945 3.163 40.623 1.00 15.98 C ATOM 0 H LEU B 91 9.965 3.499 41.803 1.00 16.35 H new ATOM 0 HA LEU B 91 8.065 1.692 42.315 1.00 16.19 H new ATOM 0 HB2 LEU B 91 9.057 2.611 39.815 1.00 15.93 H new ATOM 0 HB3 LEU B 91 7.832 1.655 39.941 1.00 15.93 H new ATOM 0 HG LEU B 91 7.624 4.284 40.901 1.00 15.64 H new ATOM 0 HD11 LEU B 91 6.771 4.944 38.828 1.00 15.38 H new ATOM 0 HD12 LEU B 91 8.274 4.472 38.667 1.00 15.38 H new ATOM 0 HD13 LEU B 91 7.092 3.510 38.237 1.00 15.38 H new ATOM 0 HD21 LEU B 91 5.344 3.922 40.569 1.00 15.98 H new ATOM 0 HD22 LEU B 91 5.656 2.478 40.001 1.00 15.98 H new ATOM 0 HD23 LEU B 91 5.934 2.806 41.525 1.00 15.98 H new ATOM 1602 N TYR B 92 9.013 -0.489 41.701 1.00 16.03 N ATOM 1603 CA TYR B 92 9.685 -1.770 41.504 1.00 15.64 C ATOM 1604 C TYR B 92 8.969 -2.501 40.361 1.00 15.91 C ATOM 1605 O TYR B 92 7.739 -2.608 40.368 1.00 16.64 O ATOM 1606 CB TYR B 92 9.620 -2.604 42.782 1.00 13.53 C ATOM 1607 CG TYR B 92 10.110 -4.011 42.578 1.00 14.35 C ATOM 1608 CD1 TYR B 92 11.452 -4.269 42.292 1.00 14.37 C ATOM 1609 CD2 TYR B 92 9.231 -5.092 42.660 1.00 14.95 C ATOM 1610 CE1 TYR B 92 11.910 -5.572 42.095 1.00 16.26 C ATOM 1611 CE2 TYR B 92 9.671 -6.399 42.463 1.00 15.90 C ATOM 1612 CZ TYR B 92 11.014 -6.637 42.180 1.00 17.24 C ATOM 1613 OH TYR B 92 11.453 -7.934 41.973 1.00 19.04 O ATOM 0 H TYR B 92 8.192 -0.555 41.947 1.00 16.03 H new ATOM 0 HA TYR B 92 10.620 -1.630 41.286 1.00 15.64 H new ATOM 0 HB2 TYR B 92 10.152 -2.176 43.471 1.00 13.53 H new ATOM 0 HB3 TYR B 92 8.705 -2.627 43.103 1.00 13.53 H new ATOM 0 HD1 TYR B 92 12.051 -3.560 42.232 1.00 14.37 H new ATOM 0 HD2 TYR B 92 8.334 -4.937 42.850 1.00 14.95 H new ATOM 0 HE1 TYR B 92 12.807 -5.729 41.908 1.00 16.26 H new ATOM 0 HE2 TYR B 92 9.072 -7.108 42.520 1.00 15.90 H new ATOM 0 HH TYR B 92 10.808 -8.465 42.057 1.00 19.04 H new ATOM 1614 N ASN B 93 9.722 -2.986 39.375 1.00 15.74 N ATOM 1615 CA ASN B 93 9.106 -3.684 38.249 1.00 16.20 C ATOM 1616 C ASN B 93 9.082 -5.182 38.471 1.00 16.66 C ATOM 1617 O ASN B 93 10.105 -5.868 38.426 1.00 15.61 O ATOM 1618 CB ASN B 93 9.815 -3.360 36.930 1.00 17.45 C ATOM 1619 CG ASN B 93 9.254 -4.153 35.764 1.00 16.96 C ATOM 1620 OD1 ASN B 93 8.117 -4.612 35.808 1.00 17.38 O ATOM 1621 ND2 ASN B 93 10.047 -4.310 34.715 1.00 16.20 N ATOM 0 H ASN B 93 10.579 -2.923 39.339 1.00 15.74 H new ATOM 0 HA ASN B 93 8.191 -3.368 38.190 1.00 16.20 H new ATOM 0 HB2 ASN B 93 9.730 -2.412 36.744 1.00 17.45 H new ATOM 0 HB3 ASN B 93 10.762 -3.548 37.020 1.00 17.45 H new ATOM 0 HD21 ASN B 93 9.770 -4.748 34.029 1.00 16.20 H new ATOM 0 HD22 ASN B 93 10.838 -3.974 34.720 1.00 16.20 H new ATOM 1622 N THR B 94 7.875 -5.673 38.703 1.00 18.31 N ATOM 1623 CA THR B 94 7.631 -7.071 38.986 1.00 18.50 C ATOM 1624 C THR B 94 7.768 -7.974 37.774 1.00 18.81 C ATOM 1625 O THR B 94 7.751 -9.193 37.909 1.00 17.69 O ATOM 1626 CB THR B 94 6.228 -7.220 39.633 1.00 17.40 C ATOM 1627 OG1 THR B 94 6.362 -7.948 40.854 1.00 16.22 O ATOM 1628 CG2 THR B 94 5.237 -7.925 38.701 1.00 16.79 C ATOM 0 H THR B 94 7.162 -5.191 38.700 1.00 18.31 H new ATOM 0 HA THR B 94 8.320 -7.365 39.603 1.00 18.50 H new ATOM 0 HB THR B 94 5.872 -6.334 39.805 1.00 17.40 H new ATOM 0 HG1 THR B 94 5.608 -8.033 41.214 1.00 16.22 H new ATOM 0 HG21 THR B 94 4.375 -7.998 39.140 1.00 16.79 H new ATOM 0 HG22 THR B 94 5.140 -7.412 37.884 1.00 16.79 H new ATOM 0 HG23 THR B 94 5.567 -8.812 38.488 1.00 16.79 H new ATOM 1629 N THR B 95 7.938 -7.379 36.597 1.00 20.57 N ATOM 1630 CA THR B 95 8.046 -8.161 35.371 1.00 23.08 C ATOM 1631 C THR B 95 9.447 -8.327 34.764 1.00 25.34 C ATOM 1632 O THR B 95 10.457 -7.885 35.322 1.00 25.35 O ATOM 1633 CB THR B 95 7.076 -7.613 34.278 1.00 22.66 C ATOM 1634 OG1 THR B 95 7.474 -6.295 33.870 1.00 21.79 O ATOM 1635 CG2 THR B 95 5.651 -7.560 34.825 1.00 21.85 C ATOM 0 H THR B 95 7.993 -6.528 36.487 1.00 20.57 H new ATOM 0 HA THR B 95 7.798 -9.052 35.662 1.00 23.08 H new ATOM 0 HB THR B 95 7.110 -8.208 33.512 1.00 22.66 H new ATOM 0 HG1 THR B 95 7.511 -5.793 34.542 1.00 21.79 H new ATOM 0 HG21 THR B 95 5.054 -7.219 34.141 1.00 21.85 H new ATOM 0 HG22 THR B 95 5.370 -8.452 35.083 1.00 21.85 H new ATOM 0 HG23 THR B 95 5.623 -6.976 35.599 1.00 21.85 H new ATOM 1636 N GLU B 96 9.471 -8.998 33.615 1.00 27.89 N ATOM 1637 CA GLU B 96 10.677 -9.293 32.845 1.00 30.31 C ATOM 1638 C GLU B 96 10.848 -8.239 31.741 1.00 30.41 C ATOM 1639 O GLU B 96 11.934 -8.069 31.188 1.00 30.37 O ATOM 1640 CB GLU B 96 10.539 -10.684 32.227 1.00 32.64 C ATOM 1641 CG GLU B 96 9.217 -10.867 31.458 1.00 38.86 C ATOM 1642 CD GLU B 96 7.958 -10.908 32.361 1.00 41.73 C ATOM 1643 OE1 GLU B 96 6.941 -10.244 32.020 1.00 43.17 O ATOM 1644 OE2 GLU B 96 7.977 -11.614 33.400 1.00 42.04 O ATOM 0 H GLU B 96 8.757 -9.306 33.248 1.00 27.89 H new ATOM 0 HA GLU B 96 11.456 -9.272 33.422 1.00 30.31 H new ATOM 0 HB2 GLU B 96 11.283 -10.841 31.625 1.00 32.64 H new ATOM 0 HB3 GLU B 96 10.596 -11.352 32.928 1.00 32.64 H new ATOM 0 HG2 GLU B 96 9.122 -10.142 30.821 1.00 38.86 H new ATOM 0 HG3 GLU B 96 9.263 -11.690 30.947 1.00 38.86 H new ATOM 1645 N ARG B 97 9.759 -7.547 31.417 1.00 30.53 N ATOM 1646 CA ARG B 97 9.772 -6.489 30.410 1.00 30.40 C ATOM 1647 C ARG B 97 9.996 -5.150 31.107 1.00 30.96 C ATOM 1648 O ARG B 97 9.359 -4.868 32.118 1.00 32.15 O ATOM 1649 CB ARG B 97 8.433 -6.433 29.662 1.00 28.60 C ATOM 1650 CG ARG B 97 8.080 -5.028 29.194 1.00 26.54 C ATOM 1651 CD ARG B 97 6.730 -4.924 28.499 1.00 25.46 C ATOM 1652 NE ARG B 97 6.826 -5.258 27.086 1.00 23.82 N ATOM 1653 CZ ARG B 97 6.936 -6.494 26.622 1.00 23.73 C ATOM 1654 NH1 ARG B 97 7.030 -6.705 25.318 1.00 23.65 N ATOM 1655 NH2 ARG B 97 6.928 -7.520 27.460 1.00 24.00 N ATOM 0 H ARG B 97 8.989 -7.678 31.776 1.00 30.53 H new ATOM 0 HA ARG B 97 10.481 -6.672 29.774 1.00 30.40 H new ATOM 0 HB2 ARG B 97 8.470 -7.026 28.895 1.00 28.60 H new ATOM 0 HB3 ARG B 97 7.729 -6.763 30.242 1.00 28.60 H new ATOM 0 HG2 ARG B 97 8.085 -4.432 29.959 1.00 26.54 H new ATOM 0 HG3 ARG B 97 8.770 -4.717 28.587 1.00 26.54 H new ATOM 0 HD2 ARG B 97 6.097 -5.519 28.930 1.00 25.46 H new ATOM 0 HD3 ARG B 97 6.384 -4.023 28.596 1.00 25.46 H new ATOM 0 HE ARG B 97 6.810 -4.613 26.517 1.00 23.82 H new ATOM 0 HH11 ARG B 97 7.020 -6.040 24.773 1.00 23.65 H new ATOM 0 HH12 ARG B 97 7.101 -7.507 25.016 1.00 23.65 H new ATOM 0 HH21 ARG B 97 6.851 -7.384 28.306 1.00 24.00 H new ATOM 0 HH22 ARG B 97 6.999 -8.322 27.158 1.00 24.00 H new ATOM 1656 N ASP B 98 10.890 -4.325 30.574 1.00 31.16 N ATOM 1657 CA ASP B 98 11.135 -3.025 31.183 1.00 31.73 C ATOM 1658 C ASP B 98 9.858 -2.221 31.043 1.00 31.22 C ATOM 1659 O ASP B 98 8.963 -2.615 30.304 1.00 30.06 O ATOM 1660 CB ASP B 98 12.288 -2.301 30.480 1.00 33.63 C ATOM 1661 CG ASP B 98 13.607 -3.044 30.610 1.00 36.00 C ATOM 1662 OD1 ASP B 98 13.666 -4.223 30.188 1.00 37.87 O ATOM 1663 OD2 ASP B 98 14.581 -2.455 31.134 1.00 35.94 O ATOM 0 H ASP B 98 11.358 -4.495 29.872 1.00 31.16 H new ATOM 0 HA ASP B 98 11.383 -3.131 32.115 1.00 31.73 H new ATOM 0 HB2 ASP B 98 12.073 -2.192 29.540 1.00 33.63 H new ATOM 0 HB3 ASP B 98 12.383 -1.411 30.854 1.00 33.63 H new ATOM 1664 N TYR B 99 9.761 -1.109 31.763 1.00 31.64 N ATOM 1665 CA TYR B 99 8.572 -0.263 31.676 1.00 31.84 C ATOM 1666 C TYR B 99 8.981 1.189 31.434 1.00 32.99 C ATOM 1667 O TYR B 99 9.732 1.779 32.222 1.00 33.13 O ATOM 1668 CB TYR B 99 7.731 -0.389 32.955 1.00 29.18 C ATOM 1669 CG TYR B 99 6.480 0.467 32.967 1.00 26.21 C ATOM 1670 CD1 TYR B 99 6.461 1.697 33.624 1.00 24.64 C ATOM 1671 CD2 TYR B 99 5.324 0.060 32.299 1.00 25.23 C ATOM 1672 CE1 TYR B 99 5.327 2.501 33.616 1.00 24.60 C ATOM 1673 CE2 TYR B 99 4.179 0.861 32.281 1.00 24.47 C ATOM 1674 CZ TYR B 99 4.190 2.081 32.941 1.00 24.99 C ATOM 1675 OH TYR B 99 3.080 2.895 32.907 1.00 24.91 O ATOM 0 H TYR B 99 10.366 -0.826 32.305 1.00 31.64 H new ATOM 0 HA TYR B 99 8.029 -0.558 30.929 1.00 31.84 H new ATOM 0 HB2 TYR B 99 7.476 -1.318 33.071 1.00 29.18 H new ATOM 0 HB3 TYR B 99 8.282 -0.149 33.716 1.00 29.18 H new ATOM 0 HD1 TYR B 99 7.221 1.985 34.076 1.00 24.64 H new ATOM 0 HD2 TYR B 99 5.316 -0.759 31.858 1.00 25.23 H new ATOM 0 HE1 TYR B 99 5.331 3.317 34.061 1.00 24.60 H new ATOM 0 HE2 TYR B 99 3.416 0.578 31.830 1.00 24.47 H new ATOM 0 HH TYR B 99 2.470 2.520 32.467 1.00 24.91 H new ATOM 1676 N ILE B 100 8.490 1.750 30.331 1.00 33.67 N ATOM 1677 CA ILE B 100 8.802 3.124 29.948 1.00 35.47 C ATOM 1678 C ILE B 100 7.862 4.156 30.582 1.00 37.00 C ATOM 1679 O ILE B 100 6.651 4.143 30.339 1.00 38.16 O ATOM 1680 CB ILE B 100 8.751 3.289 28.397 1.00 35.46 C ATOM 1681 CG1 ILE B 100 9.903 2.520 27.742 1.00 34.80 C ATOM 1682 CG2 ILE B 100 8.809 4.763 28.015 1.00 35.21 C ATOM 1683 CD1 ILE B 100 11.289 3.020 28.127 1.00 34.52 C ATOM 0 H ILE B 100 7.966 1.344 29.783 1.00 33.67 H new ATOM 0 HA ILE B 100 9.698 3.293 30.279 1.00 35.47 H new ATOM 0 HB ILE B 100 7.913 2.922 28.075 1.00 35.46 H new ATOM 0 HG12 ILE B 100 9.830 1.583 27.982 1.00 34.80 H new ATOM 0 HG13 ILE B 100 9.807 2.574 26.778 1.00 34.80 H new ATOM 0 HG21 ILE B 100 8.776 4.849 27.049 1.00 35.21 H new ATOM 0 HG22 ILE B 100 8.053 5.229 28.406 1.00 35.21 H new ATOM 0 HG23 ILE B 100 9.634 5.151 28.346 1.00 35.21 H new ATOM 0 HD11 ILE B 100 11.962 2.487 27.676 1.00 34.52 H new ATOM 0 HD12 ILE B 100 11.383 3.949 27.864 1.00 34.52 H new ATOM 0 HD13 ILE B 100 11.406 2.943 29.087 1.00 34.52 H new ATOM 1684 N ILE B 101 8.432 5.047 31.391 1.00 37.66 N ATOM 1685 CA ILE B 101 7.670 6.107 32.049 1.00 38.55 C ATOM 1686 C ILE B 101 7.982 7.441 31.373 1.00 39.46 C ATOM 1687 O ILE B 101 9.016 8.048 31.654 1.00 40.25 O ATOM 1688 CB ILE B 101 8.057 6.259 33.539 1.00 38.63 C ATOM 1689 CG1 ILE B 101 7.684 5.001 34.324 1.00 38.84 C ATOM 1690 CG2 ILE B 101 7.367 7.481 34.129 1.00 38.90 C ATOM 1691 CD1 ILE B 101 8.231 4.976 35.750 1.00 37.71 C ATOM 0 H ILE B 101 9.272 5.054 31.574 1.00 37.66 H new ATOM 0 HA ILE B 101 6.732 5.870 31.981 1.00 38.55 H new ATOM 0 HB ILE B 101 9.017 6.379 33.602 1.00 38.63 H new ATOM 0 HG12 ILE B 101 6.717 4.925 34.356 1.00 38.84 H new ATOM 0 HG13 ILE B 101 8.013 4.223 33.847 1.00 38.84 H new ATOM 0 HG21 ILE B 101 7.613 7.572 35.063 1.00 38.90 H new ATOM 0 HG22 ILE B 101 7.643 8.274 33.644 1.00 38.90 H new ATOM 0 HG23 ILE B 101 6.405 7.376 34.057 1.00 38.90 H new ATOM 0 HD11 ILE B 101 7.958 4.154 36.187 1.00 37.71 H new ATOM 0 HD12 ILE B 101 9.200 5.022 35.726 1.00 37.71 H new ATOM 0 HD13 ILE B 101 7.883 5.735 36.243 1.00 37.71 H new ATOM 1692 N LYS B 102 7.105 7.902 30.486 1.00 39.99 N ATOM 1693 CA LYS B 102 7.336 9.181 29.819 1.00 40.15 C ATOM 1694 C LYS B 102 6.931 10.319 30.755 1.00 40.00 C ATOM 1695 O LYS B 102 6.003 10.178 31.558 1.00 39.47 O ATOM 1696 CB LYS B 102 6.537 9.274 28.510 1.00 40.81 C ATOM 1697 CG LYS B 102 5.031 9.412 28.687 1.00 41.70 C ATOM 1698 CD LYS B 102 4.305 9.629 27.361 1.00 43.53 C ATOM 1699 CE LYS B 102 4.775 10.907 26.639 1.00 45.18 C ATOM 1700 NZ LYS B 102 4.599 12.184 27.415 1.00 44.59 N ATOM 0 H LYS B 102 6.381 7.498 30.258 1.00 39.99 H new ATOM 0 HA LYS B 102 8.279 9.251 29.602 1.00 40.15 H new ATOM 0 HB2 LYS B 102 6.861 10.034 28.002 1.00 40.81 H new ATOM 0 HB3 LYS B 102 6.716 8.482 27.980 1.00 40.81 H new ATOM 0 HG2 LYS B 102 4.684 8.614 29.116 1.00 41.70 H new ATOM 0 HG3 LYS B 102 4.845 10.157 29.280 1.00 41.70 H new ATOM 0 HD2 LYS B 102 4.452 8.862 26.785 1.00 43.53 H new ATOM 0 HD3 LYS B 102 3.350 9.684 27.523 1.00 43.53 H new ATOM 0 HE2 LYS B 102 5.714 10.808 26.416 1.00 45.18 H new ATOM 0 HE3 LYS B 102 4.291 10.985 25.802 1.00 45.18 H new ATOM 0 HZ1 LYS B 102 4.946 12.862 26.954 1.00 44.59 H new ATOM 0 HZ2 LYS B 102 3.732 12.332 27.552 1.00 44.59 H new ATOM 0 HZ3 LYS B 102 5.015 12.115 28.199 1.00 44.59 H new ATOM 1701 N LYS B 103 7.642 11.438 30.663 1.00 40.27 N ATOM 1702 CA LYS B 103 7.341 12.595 31.494 1.00 41.36 C ATOM 1703 C LYS B 103 5.846 12.912 31.383 1.00 41.02 C ATOM 1704 O LYS B 103 5.242 12.720 30.325 1.00 42.02 O ATOM 1705 CB LYS B 103 8.177 13.794 31.034 1.00 42.70 C ATOM 1706 CG LYS B 103 7.814 15.097 31.720 1.00 45.71 C ATOM 1707 CD LYS B 103 8.611 16.296 31.192 1.00 48.25 C ATOM 1708 CE LYS B 103 10.101 16.210 31.552 1.00 50.24 C ATOM 1709 NZ LYS B 103 10.821 17.520 31.397 1.00 49.90 N ATOM 0 H LYS B 103 8.304 11.547 30.124 1.00 40.27 H new ATOM 0 HA LYS B 103 7.560 12.404 32.419 1.00 41.36 H new ATOM 0 HB2 LYS B 103 9.114 13.604 31.195 1.00 42.70 H new ATOM 0 HB3 LYS B 103 8.070 13.903 30.076 1.00 42.70 H new ATOM 0 HG2 LYS B 103 6.867 15.267 31.600 1.00 45.71 H new ATOM 0 HG3 LYS B 103 7.967 15.008 32.674 1.00 45.71 H new ATOM 0 HD2 LYS B 103 8.516 16.346 30.228 1.00 48.25 H new ATOM 0 HD3 LYS B 103 8.239 17.114 31.556 1.00 48.25 H new ATOM 0 HE2 LYS B 103 10.190 15.905 32.468 1.00 50.24 H new ATOM 0 HE3 LYS B 103 10.526 15.545 30.989 1.00 50.24 H new ATOM 0 HZ1 LYS B 103 11.677 17.416 31.617 1.00 49.90 H new ATOM 0 HZ2 LYS B 103 10.763 17.793 30.552 1.00 49.90 H new ATOM 0 HZ3 LYS B 103 10.450 18.128 31.930 1.00 49.90 H new ATOM 1710 N GLY B 104 5.245 13.380 32.473 1.00 39.96 N ATOM 1711 CA GLY B 104 3.829 13.711 32.439 1.00 39.04 C ATOM 1712 C GLY B 104 2.927 12.591 32.921 1.00 38.23 C ATOM 1713 O GLY B 104 1.821 12.843 33.409 1.00 37.26 O ATOM 0 H GLY B 104 5.633 13.511 33.229 1.00 39.96 H new ATOM 0 HA2 GLY B 104 3.676 14.497 32.987 1.00 39.04 H new ATOM 0 HA3 GLY B 104 3.582 13.946 31.531 1.00 39.04 H new ATOM 1714 N ASP B 105 3.413 11.358 32.777 1.00 38.08 N ATOM 1715 CA ASP B 105 2.706 10.146 33.197 1.00 37.45 C ATOM 1716 C ASP B 105 2.366 10.097 34.688 1.00 36.11 C ATOM 1717 O ASP B 105 3.117 10.595 35.530 1.00 35.19 O ATOM 1718 CB ASP B 105 3.561 8.917 32.882 1.00 39.89 C ATOM 1719 CG ASP B 105 3.505 8.518 31.428 1.00 42.29 C ATOM 1720 OD1 ASP B 105 3.045 9.349 30.612 1.00 44.38 O ATOM 1721 OD2 ASP B 105 3.926 7.377 31.107 1.00 42.10 O ATOM 0 H ASP B 105 4.181 11.199 32.424 1.00 38.08 H new ATOM 0 HA ASP B 105 1.870 10.154 32.705 1.00 37.45 H new ATOM 0 HB2 ASP B 105 4.482 9.098 33.127 1.00 39.89 H new ATOM 0 HB3 ASP B 105 3.263 8.173 33.428 1.00 39.89 H new ATOM 1722 N ARG B 106 1.228 9.489 35.006 1.00 34.55 N ATOM 1723 CA ARG B 106 0.812 9.311 36.392 1.00 32.83 C ATOM 1724 C ARG B 106 1.448 7.973 36.775 1.00 31.38 C ATOM 1725 O ARG B 106 1.230 6.955 36.113 1.00 31.25 O ATOM 1726 CB ARG B 106 -0.714 9.228 36.501 1.00 33.62 C ATOM 1727 CG ARG B 106 -1.433 10.567 36.405 1.00 34.71 C ATOM 1728 CD ARG B 106 -2.920 10.366 36.146 1.00 35.43 C ATOM 1729 NE ARG B 106 -3.148 9.765 34.833 1.00 37.13 N ATOM 1730 CZ ARG B 106 -4.341 9.415 34.353 1.00 37.98 C ATOM 1731 NH1 ARG B 106 -5.437 9.603 35.083 1.00 38.39 N ATOM 1732 NH2 ARG B 106 -4.439 8.879 33.136 1.00 37.37 N ATOM 0 H ARG B 106 0.678 9.170 34.427 1.00 34.55 H new ATOM 0 HA ARG B 106 1.081 10.046 36.965 1.00 32.83 H new ATOM 0 HB2 ARG B 106 -1.045 8.646 35.799 1.00 33.62 H new ATOM 0 HB3 ARG B 106 -0.943 8.811 37.346 1.00 33.62 H new ATOM 0 HG2 ARG B 106 -1.308 11.065 37.228 1.00 34.71 H new ATOM 0 HG3 ARG B 106 -1.045 11.097 35.691 1.00 34.71 H new ATOM 0 HD2 ARG B 106 -3.298 9.798 36.835 1.00 35.43 H new ATOM 0 HD3 ARG B 106 -3.379 11.219 36.199 1.00 35.43 H new ATOM 0 HE ARG B 106 -2.462 9.627 34.333 1.00 37.13 H new ATOM 0 HH11 ARG B 106 -5.377 9.951 35.867 1.00 38.39 H new ATOM 0 HH12 ARG B 106 -6.206 9.376 34.771 1.00 38.39 H new ATOM 0 HH21 ARG B 106 -3.732 8.759 32.661 1.00 37.37 H new ATOM 0 HH22 ARG B 106 -5.209 8.653 32.826 1.00 37.37 H new ATOM 1733 N ILE B 107 2.238 7.982 37.840 1.00 29.11 N ATOM 1734 CA ILE B 107 2.939 6.786 38.274 1.00 26.15 C ATOM 1735 C ILE B 107 2.546 6.268 39.654 1.00 25.09 C ATOM 1736 O ILE B 107 2.937 5.172 40.044 1.00 25.86 O ATOM 1737 CB ILE B 107 4.455 7.040 38.224 1.00 25.50 C ATOM 1738 CG1 ILE B 107 4.796 8.309 39.016 1.00 23.85 C ATOM 1739 CG2 ILE B 107 4.893 7.192 36.767 1.00 23.96 C ATOM 1740 CD1 ILE B 107 6.270 8.602 39.107 1.00 22.22 C ATOM 0 H ILE B 107 2.381 8.676 38.327 1.00 29.11 H new ATOM 0 HA ILE B 107 2.674 6.087 37.656 1.00 26.15 H new ATOM 0 HB ILE B 107 4.925 6.290 38.622 1.00 25.50 H new ATOM 0 HG12 ILE B 107 4.351 9.065 38.603 1.00 23.85 H new ATOM 0 HG13 ILE B 107 4.437 8.224 39.913 1.00 23.85 H new ATOM 0 HG21 ILE B 107 5.849 7.352 36.731 1.00 23.96 H new ATOM 0 HG22 ILE B 107 4.683 6.380 36.279 1.00 23.96 H new ATOM 0 HG23 ILE B 107 4.425 7.940 36.365 1.00 23.96 H new ATOM 0 HD11 ILE B 107 6.408 9.414 39.619 1.00 22.22 H new ATOM 0 HD12 ILE B 107 6.720 7.863 39.546 1.00 22.22 H new ATOM 0 HD13 ILE B 107 6.633 8.717 38.215 1.00 22.22 H new ATOM 1741 N ALA B 108 1.767 7.049 40.388 1.00 22.97 N ATOM 1742 CA ALA B 108 1.327 6.643 41.710 1.00 22.02 C ATOM 1743 C ALA B 108 0.152 7.519 42.143 1.00 22.29 C ATOM 1744 O ALA B 108 -0.359 8.316 41.351 1.00 22.10 O ATOM 1745 CB ALA B 108 2.478 6.769 42.693 1.00 19.85 C ATOM 0 H ALA B 108 1.482 7.820 40.137 1.00 22.97 H new ATOM 0 HA ALA B 108 1.038 5.717 41.691 1.00 22.02 H new ATOM 0 HB1 ALA B 108 2.181 6.497 43.576 1.00 19.85 H new ATOM 0 HB2 ALA B 108 3.210 6.200 42.409 1.00 19.85 H new ATOM 0 HB3 ALA B 108 2.779 7.691 42.723 1.00 19.85 H new ATOM 1746 N GLN B 109 -0.293 7.349 43.388 1.00 22.07 N ATOM 1747 CA GLN B 109 -1.387 8.150 43.935 1.00 21.75 C ATOM 1748 C GLN B 109 -1.095 8.393 45.417 1.00 22.09 C ATOM 1749 O GLN B 109 -0.754 7.470 46.156 1.00 21.94 O ATOM 1750 CB GLN B 109 -2.740 7.444 43.741 1.00 21.00 C ATOM 1751 CG GLN B 109 -3.053 6.352 44.736 1.00 22.33 C ATOM 1752 CD GLN B 109 -4.346 5.615 44.419 1.00 22.20 C ATOM 1753 OE1 GLN B 109 -5.426 6.207 44.359 1.00 20.76 O ATOM 1754 NE2 GLN B 109 -4.238 4.308 44.221 1.00 23.85 N ATOM 0 H GLN B 109 0.029 6.770 43.936 1.00 22.07 H new ATOM 0 HA GLN B 109 -1.447 8.997 43.467 1.00 21.75 H new ATOM 0 HB2 GLN B 109 -3.444 8.110 43.784 1.00 21.00 H new ATOM 0 HB3 GLN B 109 -2.763 7.064 42.849 1.00 21.00 H new ATOM 0 HG2 GLN B 109 -2.320 5.717 44.753 1.00 22.33 H new ATOM 0 HG3 GLN B 109 -3.115 6.738 45.624 1.00 22.33 H new ATOM 0 HE21 GLN B 109 -3.468 3.928 44.271 1.00 23.85 H new ATOM 0 HE22 GLN B 109 -4.938 3.841 44.043 1.00 23.85 H new ATOM 1755 N LEU B 110 -1.203 9.648 45.842 1.00 22.03 N ATOM 1756 CA LEU B 110 -0.922 10.009 47.225 1.00 21.57 C ATOM 1757 C LEU B 110 -2.154 9.928 48.103 1.00 21.40 C ATOM 1758 O LEU B 110 -3.173 10.548 47.817 1.00 22.72 O ATOM 1759 CB LEU B 110 -0.347 11.427 47.299 1.00 21.29 C ATOM 1760 CG LEU B 110 0.113 11.853 48.697 1.00 20.98 C ATOM 1761 CD1 LEU B 110 1.317 11.013 49.093 1.00 20.89 C ATOM 1762 CD2 LEU B 110 0.461 13.335 48.723 1.00 20.76 C ATOM 0 H LEU B 110 -1.439 10.307 45.342 1.00 22.03 H new ATOM 0 HA LEU B 110 -0.274 9.367 47.555 1.00 21.57 H new ATOM 0 HB2 LEU B 110 0.405 11.491 46.690 1.00 21.29 H new ATOM 0 HB3 LEU B 110 -1.019 12.053 46.987 1.00 21.29 H new ATOM 0 HG LEU B 110 -0.607 11.710 49.331 1.00 20.98 H new ATOM 0 HD11 LEU B 110 1.617 11.274 49.978 1.00 20.89 H new ATOM 0 HD12 LEU B 110 1.069 10.075 49.100 1.00 20.89 H new ATOM 0 HD13 LEU B 110 2.034 11.153 48.454 1.00 20.89 H new ATOM 0 HD21 LEU B 110 0.749 13.584 49.615 1.00 20.76 H new ATOM 0 HD22 LEU B 110 1.176 13.511 48.092 1.00 20.76 H new ATOM 0 HD23 LEU B 110 -0.320 13.855 48.479 1.00 20.76 H new ATOM 1763 N ILE B 111 -2.047 9.168 49.185 1.00 21.31 N ATOM 1764 CA ILE B 111 -3.149 9.000 50.122 1.00 20.64 C ATOM 1765 C ILE B 111 -2.789 9.559 51.495 1.00 21.64 C ATOM 1766 O ILE B 111 -1.788 9.158 52.100 1.00 21.45 O ATOM 1767 CB ILE B 111 -3.519 7.515 50.257 1.00 19.42 C ATOM 1768 CG1 ILE B 111 -3.819 6.953 48.865 1.00 18.61 C ATOM 1769 CG2 ILE B 111 -4.704 7.355 51.191 1.00 17.94 C ATOM 1770 CD1 ILE B 111 -4.110 5.481 48.819 1.00 20.30 C ATOM 0 H ILE B 111 -1.334 8.736 49.397 1.00 21.31 H new ATOM 0 HA ILE B 111 -3.910 9.491 49.773 1.00 20.64 H new ATOM 0 HB ILE B 111 -2.779 7.019 50.641 1.00 19.42 H new ATOM 0 HG12 ILE B 111 -4.579 7.430 48.496 1.00 18.61 H new ATOM 0 HG13 ILE B 111 -3.061 7.137 48.288 1.00 18.61 H new ATOM 0 HG21 ILE B 111 -4.930 6.415 51.270 1.00 17.94 H new ATOM 0 HG22 ILE B 111 -4.476 7.707 52.066 1.00 17.94 H new ATOM 0 HG23 ILE B 111 -5.464 7.841 50.835 1.00 17.94 H new ATOM 0 HD11 ILE B 111 -4.287 5.214 47.903 1.00 20.30 H new ATOM 0 HD12 ILE B 111 -3.345 4.989 49.156 1.00 20.30 H new ATOM 0 HD13 ILE B 111 -4.886 5.287 49.368 1.00 20.30 H new ATOM 1771 N LEU B 112 -3.605 10.499 51.970 1.00 22.24 N ATOM 1772 CA LEU B 112 -3.403 11.119 53.275 1.00 21.70 C ATOM 1773 C LEU B 112 -4.010 10.210 54.342 1.00 21.76 C ATOM 1774 O LEU B 112 -5.157 10.373 54.736 1.00 20.58 O ATOM 1775 CB LEU B 112 -4.050 12.515 53.317 1.00 21.01 C ATOM 1776 CG LEU B 112 -3.490 13.658 52.439 1.00 20.84 C ATOM 1777 CD1 LEU B 112 -1.958 13.585 52.361 1.00 18.63 C ATOM 1778 CD2 LEU B 112 -4.086 13.586 51.045 1.00 22.23 C ATOM 0 H LEU B 112 -4.291 10.794 51.543 1.00 22.24 H new ATOM 0 HA LEU B 112 -2.454 11.231 53.442 1.00 21.70 H new ATOM 0 HB2 LEU B 112 -4.985 12.406 53.085 1.00 21.01 H new ATOM 0 HB3 LEU B 112 -4.020 12.818 54.238 1.00 21.01 H new ATOM 0 HG LEU B 112 -3.736 14.503 52.846 1.00 20.84 H new ATOM 0 HD11 LEU B 112 -1.627 14.309 51.807 1.00 18.63 H new ATOM 0 HD12 LEU B 112 -1.584 13.664 53.253 1.00 18.63 H new ATOM 0 HD13 LEU B 112 -1.694 12.736 51.974 1.00 18.63 H new ATOM 0 HD21 LEU B 112 -3.729 14.306 50.503 1.00 22.23 H new ATOM 0 HD22 LEU B 112 -3.860 12.734 50.640 1.00 22.23 H new ATOM 0 HD23 LEU B 112 -5.051 13.671 51.100 1.00 22.23 H new ATOM 1779 N GLU B 113 -3.216 9.243 54.794 1.00 23.38 N ATOM 1780 CA GLU B 113 -3.649 8.272 55.791 1.00 24.75 C ATOM 1781 C GLU B 113 -3.640 8.868 57.183 1.00 25.37 C ATOM 1782 O GLU B 113 -2.618 9.385 57.644 1.00 24.68 O ATOM 1783 CB GLU B 113 -2.730 7.040 55.797 1.00 24.61 C ATOM 1784 CG GLU B 113 -2.352 6.490 54.438 1.00 27.18 C ATOM 1785 CD GLU B 113 -2.824 5.060 54.219 1.00 29.57 C ATOM 1786 OE1 GLU B 113 -4.046 4.862 54.096 1.00 32.34 O ATOM 1787 OE2 GLU B 113 -1.983 4.133 54.167 1.00 28.60 O ATOM 0 H GLU B 113 -2.406 9.132 54.528 1.00 23.38 H new ATOM 0 HA GLU B 113 -4.553 8.013 55.551 1.00 24.75 H new ATOM 0 HB2 GLU B 113 -1.916 7.268 56.272 1.00 24.61 H new ATOM 0 HB3 GLU B 113 -3.166 6.336 56.302 1.00 24.61 H new ATOM 0 HG2 GLU B 113 -2.730 7.058 53.749 1.00 27.18 H new ATOM 0 HG3 GLU B 113 -1.388 6.525 54.338 1.00 27.18 H new ATOM 1788 N GLN B 114 -4.781 8.774 57.854 1.00 26.57 N ATOM 1789 CA GLN B 114 -4.905 9.273 59.210 1.00 28.08 C ATOM 1790 C GLN B 114 -4.252 8.319 60.206 1.00 29.17 C ATOM 1791 O GLN B 114 -4.552 7.121 60.232 1.00 29.50 O ATOM 1792 CB GLN B 114 -6.373 9.455 59.573 1.00 28.61 C ATOM 1793 CG GLN B 114 -7.025 10.616 58.882 1.00 30.84 C ATOM 1794 CD GLN B 114 -8.392 10.904 59.442 1.00 32.44 C ATOM 1795 OE1 GLN B 114 -9.352 10.183 59.171 1.00 33.67 O ATOM 1796 NE2 GLN B 114 -8.490 11.957 60.246 1.00 33.36 N ATOM 0 H GLN B 114 -5.498 8.422 57.537 1.00 26.57 H new ATOM 0 HA GLN B 114 -4.451 10.129 59.254 1.00 28.08 H new ATOM 0 HB2 GLN B 114 -6.856 8.644 59.351 1.00 28.61 H new ATOM 0 HB3 GLN B 114 -6.448 9.576 60.532 1.00 28.61 H new ATOM 0 HG2 GLN B 114 -6.465 11.403 58.974 1.00 30.84 H new ATOM 0 HG3 GLN B 114 -7.097 10.429 57.933 1.00 30.84 H new ATOM 0 HE21 GLN B 114 -7.796 12.437 60.412 1.00 33.36 H new ATOM 0 HE22 GLN B 114 -9.247 12.158 60.601 1.00 33.36 H new ATOM 1797 N ILE B 115 -3.359 8.862 61.027 1.00 30.50 N ATOM 1798 CA ILE B 115 -2.659 8.080 62.039 1.00 31.74 C ATOM 1799 C ILE B 115 -2.620 8.841 63.367 1.00 33.45 C ATOM 1800 O ILE B 115 -3.012 10.008 63.435 1.00 34.19 O ATOM 1801 CB ILE B 115 -1.197 7.775 61.596 1.00 30.52 C ATOM 1802 CG1 ILE B 115 -0.332 9.036 61.663 1.00 27.41 C ATOM 1803 CG2 ILE B 115 -1.193 7.265 60.164 1.00 31.78 C ATOM 1804 CD1 ILE B 115 1.122 8.780 61.367 1.00 23.76 C ATOM 0 H ILE B 115 -3.142 9.694 61.013 1.00 30.50 H new ATOM 0 HA ILE B 115 -3.141 7.246 62.150 1.00 31.74 H new ATOM 0 HB ILE B 115 -0.834 7.105 62.197 1.00 30.52 H new ATOM 0 HG12 ILE B 115 -0.674 9.688 61.032 1.00 27.41 H new ATOM 0 HG13 ILE B 115 -0.411 9.428 62.547 1.00 27.41 H new ATOM 0 HG21 ILE B 115 -0.282 7.076 59.890 1.00 31.78 H new ATOM 0 HG22 ILE B 115 -1.722 6.454 60.108 1.00 31.78 H new ATOM 0 HG23 ILE B 115 -1.572 7.939 59.579 1.00 31.78 H new ATOM 0 HD11 ILE B 115 1.616 9.613 61.425 1.00 23.76 H new ATOM 0 HD12 ILE B 115 1.477 8.149 62.012 1.00 23.76 H new ATOM 0 HD13 ILE B 115 1.211 8.413 60.473 1.00 23.76 H new ATOM 1805 N VAL B 116 -2.162 8.163 64.417 1.00 35.12 N ATOM 1806 CA VAL B 116 -2.019 8.763 65.744 1.00 36.13 C ATOM 1807 C VAL B 116 -0.582 8.518 66.192 1.00 37.89 C ATOM 1808 O VAL B 116 -0.069 7.403 66.090 1.00 38.17 O ATOM 1809 CB VAL B 116 -2.995 8.147 66.790 1.00 34.72 C ATOM 1810 CG1 VAL B 116 -4.427 8.426 66.385 1.00 34.04 C ATOM 1811 CG2 VAL B 116 -2.755 6.653 66.933 1.00 33.75 C ATOM 0 H VAL B 116 -1.924 7.337 64.380 1.00 35.12 H new ATOM 0 HA VAL B 116 -2.232 9.708 65.687 1.00 36.13 H new ATOM 0 HB VAL B 116 -2.830 8.559 67.653 1.00 34.72 H new ATOM 0 HG11 VAL B 116 -5.030 8.040 67.040 1.00 34.04 H new ATOM 0 HG12 VAL B 116 -4.570 9.384 66.340 1.00 34.04 H new ATOM 0 HG13 VAL B 116 -4.600 8.032 65.515 1.00 34.04 H new ATOM 0 HG21 VAL B 116 -3.371 6.287 67.587 1.00 33.75 H new ATOM 0 HG22 VAL B 116 -2.898 6.219 66.077 1.00 33.75 H new ATOM 0 HG23 VAL B 116 -1.843 6.498 67.226 1.00 33.75 H new ATOM 1812 N THR B 117 0.076 9.558 66.682 1.00 40.16 N ATOM 1813 CA THR B 117 1.452 9.409 67.113 1.00 43.15 C ATOM 1814 C THR B 117 1.647 9.614 68.628 1.00 45.43 C ATOM 1815 O THR B 117 2.251 10.601 69.070 1.00 45.06 O ATOM 1816 CB THR B 117 2.339 10.369 66.328 1.00 43.05 C ATOM 1817 OG1 THR B 117 3.688 10.243 66.781 1.00 45.17 O ATOM 1818 CG2 THR B 117 1.864 11.791 66.508 1.00 42.31 C ATOM 0 H THR B 117 -0.252 10.348 66.772 1.00 40.16 H new ATOM 0 HA THR B 117 1.708 8.491 66.932 1.00 43.15 H new ATOM 0 HB THR B 117 2.291 10.147 65.385 1.00 43.05 H new ATOM 0 HG1 THR B 117 3.751 10.547 67.562 1.00 45.17 H new ATOM 0 HG21 THR B 117 2.437 12.390 66.004 1.00 42.31 H new ATOM 0 HG22 THR B 117 0.952 11.871 66.188 1.00 42.31 H new ATOM 0 HG23 THR B 117 1.898 12.027 67.448 1.00 42.31 H new ATOM 1819 N PRO B 118 1.137 8.665 69.441 1.00 47.43 N ATOM 1820 CA PRO B 118 1.207 8.663 70.910 1.00 49.12 C ATOM 1821 C PRO B 118 2.617 8.547 71.504 1.00 50.53 C ATOM 1822 O PRO B 118 3.614 8.832 70.834 1.00 50.83 O ATOM 1823 CB PRO B 118 0.333 7.461 71.297 1.00 49.21 C ATOM 1824 CG PRO B 118 -0.636 7.357 70.162 1.00 49.13 C ATOM 1825 CD PRO B 118 0.272 7.567 68.975 1.00 47.93 C ATOM 0 HA PRO B 118 0.907 9.514 71.267 1.00 49.12 H new ATOM 0 HB2 PRO B 118 0.860 6.652 71.393 1.00 49.21 H new ATOM 0 HB3 PRO B 118 -0.120 7.606 72.142 1.00 49.21 H new ATOM 0 HG2 PRO B 118 -1.077 6.494 70.136 1.00 49.13 H new ATOM 0 HG3 PRO B 118 -1.332 8.030 70.213 1.00 49.13 H new ATOM 0 HD2 PRO B 118 0.781 6.769 68.762 1.00 47.93 H new ATOM 0 HD3 PRO B 118 -0.224 7.809 68.177 1.00 47.93 H new ATOM 1826 N GLY B 119 2.671 8.129 72.772 1.00 51.60 N ATOM 1827 CA GLY B 119 3.931 7.963 73.478 1.00 51.48 C ATOM 1828 C GLY B 119 4.202 6.500 73.766 1.00 52.00 C ATOM 1829 O GLY B 119 3.360 5.641 73.498 1.00 52.39 O ATOM 0 H GLY B 119 1.976 7.936 73.241 1.00 51.60 H new ATOM 0 HA2 GLY B 119 4.654 8.331 72.947 1.00 51.48 H new ATOM 0 HA3 GLY B 119 3.908 8.461 74.310 1.00 51.48 H new ATOM 1830 N VAL B 120 5.367 6.205 74.329 1.00 52.09 N ATOM 1831 CA VAL B 120 5.726 4.818 74.613 1.00 52.41 C ATOM 1832 C VAL B 120 5.709 4.441 76.102 1.00 52.26 C ATOM 1833 O VAL B 120 6.180 5.194 76.955 1.00 52.04 O ATOM 1834 CB VAL B 120 7.131 4.487 74.036 1.00 52.59 C ATOM 1835 CG1 VAL B 120 7.211 3.004 73.673 1.00 51.83 C ATOM 1836 CG2 VAL B 120 7.432 5.377 72.827 1.00 51.68 C ATOM 0 H VAL B 120 5.960 6.786 74.553 1.00 52.09 H new ATOM 0 HA VAL B 120 5.034 4.293 74.181 1.00 52.41 H new ATOM 0 HB VAL B 120 7.804 4.668 74.710 1.00 52.59 H new ATOM 0 HG11 VAL B 120 8.090 2.806 73.314 1.00 51.83 H new ATOM 0 HG12 VAL B 120 7.058 2.468 74.467 1.00 51.83 H new ATOM 0 HG13 VAL B 120 6.536 2.797 73.008 1.00 51.83 H new ATOM 0 HG21 VAL B 120 8.310 5.161 72.477 1.00 51.68 H new ATOM 0 HG22 VAL B 120 6.764 5.226 72.140 1.00 51.68 H new ATOM 0 HG23 VAL B 120 7.412 6.308 73.098 1.00 51.68 H new ATOM 1837 N ALA B 121 5.165 3.261 76.391 1.00 51.80 N ATOM 1838 CA ALA B 121 5.081 2.733 77.752 1.00 51.69 C ATOM 1839 C ALA B 121 5.569 1.283 77.736 1.00 52.24 C ATOM 1840 O ALA B 121 4.836 0.381 77.323 1.00 53.29 O ATOM 1841 CB ALA B 121 3.644 2.793 78.245 1.00 49.75 C ATOM 0 H ALA B 121 4.830 2.738 75.796 1.00 51.80 H new ATOM 0 HA ALA B 121 5.632 3.263 78.349 1.00 51.69 H new ATOM 0 HB1 ALA B 121 3.596 2.441 79.148 1.00 49.75 H new ATOM 0 HB2 ALA B 121 3.338 3.714 78.241 1.00 49.75 H new ATOM 0 HB3 ALA B 121 3.079 2.262 77.662 1.00 49.75 H new ATOM 1842 N VAL B 122 6.798 1.055 78.192 1.00 52.18 N ATOM 1843 CA VAL B 122 7.380 -0.292 78.195 1.00 52.60 C ATOM 1844 C VAL B 122 7.168 -1.114 79.477 1.00 51.24 C ATOM 1845 O VAL B 122 6.519 -0.653 80.412 1.00 50.86 O ATOM 1846 CB VAL B 122 8.896 -0.217 77.905 1.00 54.05 C ATOM 1847 CG1 VAL B 122 9.131 0.266 76.476 1.00 54.76 C ATOM 1848 CG2 VAL B 122 9.566 0.727 78.904 1.00 55.53 C ATOM 0 H VAL B 122 7.315 1.666 78.505 1.00 52.18 H new ATOM 0 HA VAL B 122 6.896 -0.760 77.497 1.00 52.60 H new ATOM 0 HB VAL B 122 9.284 -1.101 78.000 1.00 54.05 H new ATOM 0 HG11 VAL B 122 10.084 0.310 76.302 1.00 54.76 H new ATOM 0 HG12 VAL B 122 8.717 -0.352 75.853 1.00 54.76 H new ATOM 0 HG13 VAL B 122 8.741 1.147 76.364 1.00 54.76 H new ATOM 0 HG21 VAL B 122 10.517 0.772 78.719 1.00 55.53 H new ATOM 0 HG22 VAL B 122 9.179 1.613 78.822 1.00 55.53 H new ATOM 0 HG23 VAL B 122 9.427 0.396 79.805 1.00 55.53 H new ATOM 1849 N VAL B 123 7.719 -2.331 79.504 1.00 50.17 N ATOM 1850 CA VAL B 123 7.601 -3.218 80.663 1.00 50.00 C ATOM 1851 C VAL B 123 8.711 -4.273 80.839 1.00 51.11 C ATOM 1852 O VAL B 123 9.789 -4.184 80.242 1.00 50.54 O ATOM 1853 CB VAL B 123 6.244 -3.954 80.665 1.00 48.62 C ATOM 1854 CG1 VAL B 123 5.185 -3.102 81.321 1.00 47.94 C ATOM 1855 CG2 VAL B 123 5.840 -4.280 79.257 1.00 47.63 C ATOM 0 H VAL B 123 8.170 -2.664 78.852 1.00 50.17 H new ATOM 0 HA VAL B 123 7.688 -2.605 81.410 1.00 50.00 H new ATOM 0 HB VAL B 123 6.336 -4.777 81.169 1.00 48.62 H new ATOM 0 HG11 VAL B 123 4.339 -3.576 81.315 1.00 47.94 H new ATOM 0 HG12 VAL B 123 5.443 -2.913 82.237 1.00 47.94 H new ATOM 0 HG13 VAL B 123 5.092 -2.269 80.833 1.00 47.94 H new ATOM 0 HG21 VAL B 123 4.987 -4.742 79.264 1.00 47.63 H new ATOM 0 HG22 VAL B 123 5.759 -3.460 78.745 1.00 47.63 H new ATOM 0 HG23 VAL B 123 6.512 -4.849 78.851 1.00 47.63 H new ATOM 1856 N LEU B 124 8.416 -5.265 81.682 1.00 52.52 N ATOM 1857 CA LEU B 124 9.316 -6.380 82.020 1.00 53.07 C ATOM 1858 C LEU B 124 9.854 -7.159 80.818 1.00 53.31 C ATOM 1859 O LEU B 124 11.090 -7.168 80.633 1.00 53.49 O ATOM 1860 CB LEU B 124 8.597 -7.371 82.950 1.00 53.10 C ATOM 1861 CG LEU B 124 8.243 -7.019 84.400 1.00 52.96 C ATOM 1862 CD1 LEU B 124 7.599 -5.640 84.481 1.00 53.33 C ATOM 1863 CD2 LEU B 124 7.311 -8.096 84.954 1.00 52.30 C ATOM 0 H LEU B 124 7.660 -5.312 82.089 1.00 52.52 H new ATOM 0 HA LEU B 124 10.079 -5.964 82.451 1.00 53.07 H new ATOM 0 HB2 LEU B 124 7.767 -7.614 82.511 1.00 53.10 H new ATOM 0 HB3 LEU B 124 9.145 -8.171 82.983 1.00 53.10 H new ATOM 0 HG LEU B 124 9.052 -6.989 84.935 1.00 52.96 H new ATOM 0 HD11 LEU B 124 7.383 -5.437 85.405 1.00 53.33 H new ATOM 0 HD12 LEU B 124 8.216 -4.974 84.140 1.00 53.33 H new ATOM 0 HD13 LEU B 124 6.787 -5.630 83.950 1.00 53.33 H new ATOM 0 HD21 LEU B 124 7.080 -7.884 85.872 1.00 52.30 H new ATOM 0 HD22 LEU B 124 6.503 -8.132 84.418 1.00 52.30 H new ATOM 0 HD23 LEU B 124 7.757 -8.957 84.924 1.00 52.30 H new TER 1864 LEU B 124 HETATM 1865 N1 DUD A 777 12.788 -7.049 2.642 1.00 27.94 N HETATM 1866 C2 DUD A 777 12.767 -7.286 3.990 1.00 26.60 C HETATM 1867 N3 DUD A 777 12.332 -6.319 4.849 1.00 26.20 N HETATM 1868 C4 DUD A 777 11.910 -5.093 4.391 1.00 26.66 C HETATM 1869 C5 DUD A 777 11.927 -4.819 2.995 1.00 27.03 C HETATM 1870 C6 DUD A 777 12.365 -5.803 2.154 1.00 28.14 C HETATM 1871 O2 DUD A 777 13.127 -8.345 4.438 1.00 27.05 O HETATM 1872 O4 DUD A 777 11.519 -4.238 5.174 1.00 26.38 O HETATM 1873 C1' DUD A 777 13.253 -8.091 1.681 1.00 28.86 C HETATM 1874 C2' DUD A 777 12.124 -8.441 0.677 1.00 30.26 C HETATM 1875 C3' DUD A 777 12.764 -8.368 -0.714 1.00 31.37 C HETATM 1876 C4' DUD A 777 14.248 -8.026 -0.465 1.00 32.70 C HETATM 1877 O4' DUD A 777 14.368 -7.587 0.915 1.00 30.38 O HETATM 1878 O3' DUD A 777 12.619 -9.605 -1.390 1.00 33.00 O HETATM 1879 C5' DUD A 777 14.661 -6.905 -1.393 1.00 36.75 C HETATM 1880 O5' DUD A 777 16.018 -6.476 -1.169 1.00 40.98 O HETATM 1881 PA DUD A 777 16.424 -5.778 -2.560 1.00 43.17 P HETATM 1882 O1A DUD A 777 15.220 -5.268 -3.289 1.00 46.23 O HETATM 1883 O2A DUD A 777 17.124 -6.943 -3.427 1.00 44.26 O HETATM 1884 O3A DUD A 777 17.483 -4.594 -2.343 1.00 45.74 O HETATM 1885 PB DUD A 777 16.862 -3.265 -3.084 1.00 48.35 P HETATM 1886 O1B DUD A 777 15.545 -2.902 -2.479 1.00 45.80 O HETATM 1887 O2B DUD A 777 17.874 -2.020 -2.908 1.00 48.17 O HETATM 1888 O3B DUD A 777 16.635 -3.554 -4.657 1.00 49.93 O HETATM 0 HO3' DUD A 777 13.166 -10.161 -1.078 1.00 33.00 H new HETATM 0 H5'2 DUD A 777 14.565 -7.198 -2.313 1.00 36.75 H new HETATM 0 H5'1 DUD A 777 14.062 -6.151 -1.272 1.00 36.75 H new HETATM 0 H2'2 DUD A 777 11.767 -9.326 0.850 1.00 30.26 H new HETATM 0 H2'1 DUD A 777 11.385 -7.817 0.753 1.00 30.26 H new HETATM 0 HN3 DUD A 777 12.322 -6.480 5.694 1.00 26.20 H new HETATM 0 H6 DUD A 777 12.384 -5.637 1.199 1.00 28.14 H new HETATM 0 H5 DUD A 777 11.637 -3.960 2.651 1.00 27.03 H new HETATM 0 H4' DUD A 777 14.816 -8.795 -0.629 1.00 32.70 H new HETATM 0 H3' DUD A 777 12.342 -7.701 -1.279 1.00 31.37 H new HETATM 0 H1' DUD A 777 13.508 -8.876 2.191 1.00 28.86 H new HETATM 1889 MG MG A 998 8.517 8.571 8.579 0.33 6.91 MG HETATM 1890 N1 DUD B 778 10.350 9.523 51.045 1.00 29.56 N HETATM 1891 C2 DUD B 778 10.207 9.634 49.697 1.00 28.52 C HETATM 1892 N3 DUD B 778 9.836 8.548 48.959 1.00 29.21 N HETATM 1893 C4 DUD B 778 9.599 7.327 49.548 1.00 29.31 C HETATM 1894 C5 DUD B 778 9.742 7.187 50.952 1.00 29.20 C HETATM 1895 C6 DUD B 778 10.115 8.287 51.671 1.00 30.21 C HETATM 1896 O2 DUD B 778 10.404 10.686 49.141 1.00 27.66 O HETATM 1897 O4 DUD B 778 9.267 6.370 48.871 1.00 30.66 O HETATM 1898 C1' DUD B 778 10.758 10.693 51.861 1.00 29.76 C HETATM 1899 C2' DUD B 778 9.674 11.071 52.898 1.00 31.62 C HETATM 1900 C3' DUD B 778 10.414 11.178 54.240 1.00 32.49 C HETATM 1901 C4' DUD B 778 11.888 10.889 53.924 1.00 33.34 C HETATM 1902 O4' DUD B 778 11.964 10.363 52.581 1.00 31.00 O HETATM 1903 O3' DUD B 778 10.267 12.476 54.787 1.00 36.53 O HETATM 1904 C5' DUD B 778 12.404 9.873 54.907 1.00 36.27 C HETATM 1905 O5' DUD B 778 13.758 9.491 54.628 1.00 40.85 O HETATM 1906 PA DUD B 778 14.167 8.618 55.915 1.00 45.03 P HETATM 1907 O1A DUD B 778 13.032 7.754 56.376 1.00 46.22 O HETATM 1908 O2A DUD B 778 14.530 9.684 57.070 1.00 44.76 O HETATM 1909 O3A DUD B 778 15.466 7.719 55.619 1.00 46.74 O HETATM 1910 PB DUD B 778 15.156 6.222 56.209 1.00 48.73 P HETATM 1911 O1B DUD B 778 13.935 5.647 55.565 1.00 47.65 O HETATM 1912 O2B DUD B 778 16.422 5.268 55.912 1.00 48.70 O HETATM 1913 O3B DUD B 778 14.909 6.289 57.803 1.00 47.67 O HETATM 0 HO3' DUD B 778 10.333 13.047 54.175 1.00 36.53 H new HETATM 0 H5'2 DUD B 778 12.350 10.237 55.805 1.00 36.27 H new HETATM 0 H5'1 DUD B 778 11.836 9.087 54.885 1.00 36.27 H new HETATM 0 H2'2 DUD B 778 9.246 11.910 52.667 1.00 31.62 H new HETATM 0 H2'1 DUD B 778 8.976 10.398 52.936 1.00 31.62 H new HETATM 0 HN3 DUD B 778 9.748 8.628 48.107 1.00 29.21 H new HETATM 0 H6 DUD B 778 10.220 8.213 52.633 1.00 30.21 H new HETATM 0 H5 DUD B 778 9.580 6.336 51.388 1.00 29.20 H new HETATM 0 H4' DUD B 778 12.423 11.695 53.991 1.00 33.34 H new HETATM 0 H3' DUD B 778 10.060 10.556 54.895 1.00 32.49 H new HETATM 0 H1' DUD B 778 10.894 11.443 51.260 1.00 29.76 H new HETATM 1914 MG MG B 999 6.775 -6.783 46.063 0.33 3.38 MG HETATM 1915 O HOH A 999 4.273 -1.531 13.639 1.00 10.12 O HETATM 1916 O HOH A1000 8.727 -15.820 -8.651 1.00 14.24 O HETATM 1917 O HOH A1001 0.349 -4.322 19.100 1.00 18.52 O HETATM 1918 O HOH A1002 14.017 -10.033 -4.815 1.00 14.45 O HETATM 1919 O HOH A1003 19.837 3.738 13.965 1.00 12.52 O HETATM 1920 O HOH A1004 11.816 3.554 4.210 1.00 9.90 O HETATM 1921 O HOH A1005 -3.520 -9.457 3.426 1.00 14.74 O HETATM 1922 O HOH A1006 -7.499 -6.099 20.427 1.00 40.53 O HETATM 1923 O HOH A1007 5.109 -0.616 4.395 1.00 15.99 O HETATM 1924 O HOH B1000 3.040 2.329 50.045 1.00 20.89 O HETATM 1925 O HOH B1001 -6.185 10.872 51.254 1.00 24.73 O HETATM 1926 O HOH B1002 10.223 6.974 55.731 1.00 17.66 O HETATM 1927 O HOH B1003 20.355 -3.628 43.737 1.00 21.06 O HETATM 1928 O HOH B1004 -1.701 8.698 32.189 1.00 13.42 O CONECT 1865 1866 1870 1873 CONECT 1866 1865 1867 1871 CONECT 1867 1866 1868 CONECT 1868 1867 1869 1872 CONECT 1869 1868 1870 CONECT 1870 1865 1869 CONECT 1871 1866 CONECT 1872 1868 CONECT 1873 1865 1874 1877 CONECT 1874 1873 1875 CONECT 1875 1874 1876 1878 CONECT 1876 1875 1877 1879 CONECT 1877 1873 1876 CONECT 1878 1875 CONECT 1879 1876 1880 CONECT 1880 1879 1881 CONECT 1881 1880 1882 1883 1884 CONECT 1882 1881 CONECT 1883 1881 CONECT 1884 1881 1885 CONECT 1885 1884 1886 1887 1888 CONECT 1886 1885 CONECT 1887 1885 CONECT 1888 1885 CONECT 1890 1891 1895 1898 CONECT 1891 1890 1892 1896 CONECT 1892 1891 1893 CONECT 1893 1892 1894 1897 CONECT 1894 1893 1895 CONECT 1895 1890 1894 CONECT 1896 1891 CONECT 1897 1893 CONECT 1898 1890 1899 1902 CONECT 1899 1898 1900 CONECT 1900 1899 1901 1903 CONECT 1901 1900 1902 1904 CONECT 1902 1898 1901 CONECT 1903 1900 CONECT 1904 1901 1905 CONECT 1905 1904 1906 CONECT 1906 1905 1907 1908 1909 CONECT 1907 1906 CONECT 1908 1906 CONECT 1909 1906 1910 CONECT 1910 1909 1911 1912 1913 CONECT 1911 1910 CONECT 1912 1910 CONECT 1913 1910 END