USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER TRANSFERASE 02-DEC-02 1NB2 TITLE CRYSTAL STRUCTURE OF NUCLEOSIDE DIPHOSPHATE KINASE FROM TITLE 2 BACILLUS HALODENITRIFICANS COMPND MOL_ID: 1; COMPND 2 MOLECULE: NUCLEOSIDE DIPHOSPHATE KINASE; COMPND 3 CHAIN: A; COMPND 4 EC: 2.7.4.6 SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: VIRGIBACILLUS HALODENITRIFICANS; SOURCE 3 ORGANISM_TAXID: 1482 KEYWDS NUCLEOSIDE DIPHOSPHATE KINASE, BACILLUS HALODENITRIFIANS, KEYWDS 2 TRANSFERASE EXPDTA X-RAY DIFFRACTION AUTHOR C.-J.CHEN,M.-Y.LIU,W.-C.CHANG,T.CHANG,B.-C.WANG,J.LE GALL REVDAT 2 24-FEB-09 1NB2 1 VERSN REVDAT 1 06-MAY-03 1NB2 0 JRNL AUTH C.-J.CHEN,M.-Y.LIU,T.CHANG,W.-C.CHANG,B.-C.WANG, JRNL AUTH 2 J.LE GALL JRNL TITL CRYSTAL STRUCTURE OF A NUCLEOSIDE DIPHOSPHATE JRNL TITL 2 KINASE FROM BACILLUS HALODENITRIFICANS: JRNL TITL 3 COEXPRESSION OF ITS ACTIVITY WITH A MN-SUPEROXIDE JRNL TITL 4 DISMUTASE. JRNL REF J.STRUCT.BIOL. V. 142 247 2003 JRNL REFN ISSN 1047-8477 JRNL PMID 12713952 JRNL DOI 10.1016/S1047-8477(03)00014-5 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 2.20 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.0 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 : ENGH & HUBER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.20 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 15.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 1.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 87.0 REMARK 3 NUMBER OF REFLECTIONS : 21145 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) : 0.213 REMARK 3 FREE R VALUE : 0.254 REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : 2115 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : NULL REMARK 3 BIN FREE R VALUE : NULL REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1026 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 34 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.009 REMARK 3 BOND ANGLES (DEGREES) : 1.73 REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL REMARK 3 IMPROPER ANGLES (DEGREES) : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : NULL REMARK 3 KSOL : NULL REMARK 3 BSOL : NULL 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: NULL REMARK 4 REMARK 4 1NB2 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 26-DEC-02. REMARK 100 THE RCSB ID CODE IS RCSB017730. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 14-NOV-01 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 6.0 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : NSRRC REMARK 200 BEAMLINE : BL17B2 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.116 REMARK 200 MONOCHROMATOR : SAGITALLY FOCUSED SI(111) REMARK 200 OPTICS : MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IV++ REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 21145 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.200 REMARK 200 RESOLUTION RANGE LOW (A) : 20.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 87.0 REMARK 200 DATA REDUNDANCY : 7.000 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.05600 REMARK 200 FOR THE DATA SET : 16.1000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.20 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.24 REMARK 200 COMPLETENESS FOR SHELL (%) : 64.0 REMARK 200 DATA REDUNDANCY IN SHELL : 1.60 REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.26000 REMARK 200 FOR SHELL : 3.400 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: AMORE REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 70.39 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 4.15 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: SODIUM FORMATE, MES, PH 6.0, VAPOR REMARK 280 DIFFUSION, HANGING DROP, TEMPERATURE 291K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 43 3 2 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 13555 Y+1/4,X+3/4,-Z+3/4 REMARK 290 14555 -Y+1/4,-X+1/4,-Z+1/4 REMARK 290 15555 Y+3/4,-X+3/4,Z+1/4 REMARK 290 16555 -Y+3/4,X+1/4,Z+3/4 REMARK 290 17555 X+1/4,Z+3/4,-Y+3/4 REMARK 290 18555 -X+3/4,Z+1/4,Y+3/4 REMARK 290 19555 -X+1/4,-Z+1/4,-Y+1/4 REMARK 290 20555 X+3/4,-Z+3/4,Y+1/4 REMARK 290 21555 Z+1/4,Y+3/4,-X+3/4 REMARK 290 22555 Z+3/4,-Y+3/4,X+1/4 REMARK 290 23555 -Z+3/4,Y+1/4,X+3/4 REMARK 290 24555 -Z+1/4,-Y+1/4,-X+1/4 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 57.03500 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 57.03500 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 57.03500 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 57.03500 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 57.03500 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 57.03500 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 57.03500 REMARK 290 SMTRY2 6 -1.000000 0.000000 0.000000 57.03500 REMARK 290 SMTRY3 6 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY1 7 0.000000 0.000000 -1.000000 57.03500 REMARK 290 SMTRY2 7 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 1.000000 0.000000 57.03500 REMARK 290 SMTRY1 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY2 8 1.000000 0.000000 0.000000 57.03500 REMARK 290 SMTRY3 8 0.000000 -1.000000 0.000000 57.03500 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 57.03500 REMARK 290 SMTRY3 10 -1.000000 0.000000 0.000000 57.03500 REMARK 290 SMTRY1 11 0.000000 1.000000 0.000000 57.03500 REMARK 290 SMTRY2 11 0.000000 0.000000 -1.000000 57.03500 REMARK 290 SMTRY3 11 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 12 0.000000 -1.000000 0.000000 57.03500 REMARK 290 SMTRY2 12 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY3 12 1.000000 0.000000 0.000000 57.03500 REMARK 290 SMTRY1 13 0.000000 1.000000 0.000000 28.51750 REMARK 290 SMTRY2 13 1.000000 0.000000 0.000000 85.55250 REMARK 290 SMTRY3 13 0.000000 0.000000 -1.000000 85.55250 REMARK 290 SMTRY1 14 0.000000 -1.000000 0.000000 28.51750 REMARK 290 SMTRY2 14 -1.000000 0.000000 0.000000 28.51750 REMARK 290 SMTRY3 14 0.000000 0.000000 -1.000000 28.51750 REMARK 290 SMTRY1 15 0.000000 1.000000 0.000000 85.55250 REMARK 290 SMTRY2 15 -1.000000 0.000000 0.000000 85.55250 REMARK 290 SMTRY3 15 0.000000 0.000000 1.000000 28.51750 REMARK 290 SMTRY1 16 0.000000 -1.000000 0.000000 85.55250 REMARK 290 SMTRY2 16 1.000000 0.000000 0.000000 28.51750 REMARK 290 SMTRY3 16 0.000000 0.000000 1.000000 85.55250 REMARK 290 SMTRY1 17 1.000000 0.000000 0.000000 28.51750 REMARK 290 SMTRY2 17 0.000000 0.000000 1.000000 85.55250 REMARK 290 SMTRY3 17 0.000000 -1.000000 0.000000 85.55250 REMARK 290 SMTRY1 18 -1.000000 0.000000 0.000000 85.55250 REMARK 290 SMTRY2 18 0.000000 0.000000 1.000000 28.51750 REMARK 290 SMTRY3 18 0.000000 1.000000 0.000000 85.55250 REMARK 290 SMTRY1 19 -1.000000 0.000000 0.000000 28.51750 REMARK 290 SMTRY2 19 0.000000 0.000000 -1.000000 28.51750 REMARK 290 SMTRY3 19 0.000000 -1.000000 0.000000 28.51750 REMARK 290 SMTRY1 20 1.000000 0.000000 0.000000 85.55250 REMARK 290 SMTRY2 20 0.000000 0.000000 -1.000000 85.55250 REMARK 290 SMTRY3 20 0.000000 1.000000 0.000000 28.51750 REMARK 290 SMTRY1 21 0.000000 0.000000 1.000000 28.51750 REMARK 290 SMTRY2 21 0.000000 1.000000 0.000000 85.55250 REMARK 290 SMTRY3 21 -1.000000 0.000000 0.000000 85.55250 REMARK 290 SMTRY1 22 0.000000 0.000000 1.000000 85.55250 REMARK 290 SMTRY2 22 0.000000 -1.000000 0.000000 85.55250 REMARK 290 SMTRY3 22 1.000000 0.000000 0.000000 28.51750 REMARK 290 SMTRY1 23 0.000000 0.000000 -1.000000 85.55250 REMARK 290 SMTRY2 23 0.000000 1.000000 0.000000 28.51750 REMARK 290 SMTRY3 23 1.000000 0.000000 0.000000 85.55250 REMARK 290 SMTRY1 24 0.000000 0.000000 -1.000000 28.51750 REMARK 290 SMTRY2 24 0.000000 -1.000000 0.000000 28.51750 REMARK 290 SMTRY3 24 -1.000000 0.000000 0.000000 28.51750 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 300 REMARK: THE BIOLOGICAL ASSEMBLY IS A HEXAMER GENERATED FROM THE REMARK 300 MONOMER IN THE ASYMMETRIC UNIT BY THE CRYSTALLOGRAPHIC REMARK 300 OPERATIONS. 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: HEXAMERIC 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 BIOMT1 4 0.000000 -1.000000 0.000000 142.58750 REMARK 350 BIOMT2 4 -1.000000 0.000000 0.000000 142.58750 REMARK 350 BIOMT3 4 0.000000 0.000000 -1.000000 142.58750 REMARK 350 BIOMT1 5 -1.000000 0.000000 0.000000 142.58750 REMARK 350 BIOMT2 5 0.000000 0.000000 -1.000000 142.58750 REMARK 350 BIOMT3 5 0.000000 -1.000000 0.000000 142.58750 REMARK 350 BIOMT1 6 0.000000 0.000000 -1.000000 142.58750 REMARK 350 BIOMT2 6 0.000000 -1.000000 0.000000 142.58750 REMARK 350 BIOMT3 6 -1.000000 0.000000 0.000000 142.58750 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 THR A 1 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS(M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 LYS A 2 CB CG CD CE NZ REMARK 470 ALA A 51 CB REMARK 470 THR A 141 CB OG1 CG2 REMARK 470 PRO A 142 CB CG CD REMARK 470 ALA A 143 CB REMARK 470 ALA A 144 CB REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS 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,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) 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 RES CSSEQI ATM2 DEVIATION REMARK 500 SER A 120 C ALA A 121 N 0.150 REMARK 500 PHE A 131 C PHE A 132 N 0.142 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 SER A 120 CA - C - N ANGL. DEV. = 16.1 DEGREES REMARK 500 SER A 120 O - C - N ANGL. DEV. = -16.5 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASN A 17 18.32 55.84 REMARK 500 ALA A 36 133.56 -176.03 REMARK 500 LYS A 43 -70.92 60.25 REMARK 500 ALA A 46 -74.57 -69.04 REMARK 500 SER A 68 -96.47 -68.01 REMARK 500 PRO A 70 -172.35 -58.06 REMARK 500 ASP A 96 -1.56 -155.46 REMARK 500 ALA A 114 -79.11 25.64 REMARK 500 SER A 118 141.11 -32.97 REMARK 500 PHE A 132 -134.49 -92.14 REMARK 500 SER A 139 42.32 -103.30 REMARK 500 ALA A 144 3.50 165.81 REMARK 500 REMARK 500 REMARK: NULL DBREF 1NB2 A 1 150 UNP Q7SIA9 Q7SIA9_BACHA 1 150 SEQRES 1 A 150 THR LYS GLU ARG THR PHE LEU MET VAL LYS PRO ASP GLY SEQRES 2 A 150 VAL GLN ARG ASN LEU VAL GLY GLU VAL VAL LYS ARG PHE SEQRES 3 A 150 GLU SER LYS GLY LEU LYS LEU ALA GLY ALA LYS LEU MET SEQRES 4 A 150 VAL ILE SER LYS ASP GLY ALA ALA ALA HIS TYR ALA GLU SEQRES 5 A 150 LEU GLY GLY GLY PRO PHE PHE GLY GLY LEU VAL GLY GLY SEQRES 6 A 150 ALA THR SER GLY PRO VAL PHE ALA MET VAL TRP GLU GLY SEQRES 7 A 150 LEU ASN ALA ALA ALA THR ALA ARG GLN ILE LEU GLY ALA SEQRES 8 A 150 THR ASN PRO SER ASP ALA ALA PRO GLY THR ILE ARG GLY SEQRES 9 A 150 ASP PHE GLY VAL SER ALA GLY ARG ASN ALA ILE HIS GLY SEQRES 10 A 150 SER ASP SER ALA GLY SER ALA ALA LYS GLU ILE GLY ALA SEQRES 11 A 150 PHE PHE GLY GLY GLY GLU ALA ALA SER GLY THR PRO ALA SEQRES 12 A 150 ALA ALA ALA ASP ILE TYR GLY FORMUL 2 HOH *34(H2 O) HELIX 1 1 LYS A 10 ARG A 16 1 7 HELIX 2 2 LEU A 18 SER A 28 1 11 HELIX 3 3 LYS A 43 TYR A 50 1 8 HELIX 4 4 PHE A 58 THR A 67 1 10 HELIX 5 5 ASN A 80 GLY A 90 1 11 HELIX 6 6 THR A 101 PHE A 106 1 6 HELIX 7 7 SER A 120 PHE A 132 1 13 HELIX 8 8 ALA A 144 ILE A 148 5 5 SHEET 1 A 4 LYS A 32 LYS A 37 0 SHEET 2 A 4 ALA A 73 GLU A 77 -1 O GLU A 77 N LYS A 32 SHEET 3 A 4 THR A 5 VAL A 9 -1 N THR A 5 O TRP A 76 SHEET 4 A 4 ILE A 115 GLY A 117 -1 O HIS A 116 N MET A 8 CRYST1 114.070 114.070 114.070 90.00 90.00 90.00 P 43 3 2 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 0.008767 0.000000 0.000000 0.00000 SCALE2 0.000000 0.008767 0.000000 0.00000 SCALE3 0.000000 0.000000 0.008767 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: A 10 LYS NZ :NH3+ -147:sc= -1.35! (180deg=-0.0504) USER MOD Set 1.2: A 113 ASN :FLIP amide:sc= -6.15! C(o=-12!,f=-7.5!) USER MOD Set 2.1: A 8 MET CE :methyl -122:sc= -0.627 (180deg=-1.05) USER MOD Set 2.2: A 49 HIS : no HE2:sc= -1.73 K(o=-3.2,f=-5.3) USER MOD Set 2.3: A 116 HIS : no HE2:sc= -0.854 K(o=-3.2,f=-4.3) USER MOD Single : A 5 THR OG1 : rot 133:sc= 0.00324 USER MOD Single : A 15 GLN : amide:sc= -0.726 K(o=-0.73,f=-3.9!) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.0084) USER MOD Single : A 24 LYS NZ :NH3+ -153:sc= -0.0989 (180deg=-0.485) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0439) USER MOD Single : A 37 LYS NZ :NH3+ -119:sc= 0.585! (180deg=-1.48) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 6:sc= 0.772 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -107:sc= 1.32 USER MOD Single : A 68 SER OG : rot -73:sc= 1.34 USER MOD Single : A 74 MET CE :methyl -125:sc= -0.556 (180deg=-1.04) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot -73:sc= 0.881 USER MOD Single : A 87 GLN :FLIP amide:sc= 0.628 F(o=-0.29,f=0.63) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 ASN :FLIP amide:sc= -0.451 F(o=-2.2,f=-0.45) USER MOD Single : A 95 SER OG : rot 109:sc= 0.142 USER MOD Single : A 101 THR OG1 : rot -82:sc= 0.854 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 110:sc= -0.3 USER MOD Single : A 120 SER OG : rot 123:sc= -0.0233 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ -144:sc= -0.147 (180deg=-0.596) USER MOD Single : A 139 SER OG : rot -57:sc= 0.297 USER MOD Single : A 149 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 2 99.015 69.264 65.822 1.00 26.23 N ATOM 2 CA LYS A 2 100.250 69.732 66.528 1.00 27.16 C ATOM 3 C LYS A 2 100.380 69.134 67.936 1.00 25.52 C ATOM 4 O LYS A 2 100.381 67.902 68.105 1.00 26.23 O ATOM 5 N GLU A 3 100.500 70.004 68.940 1.00 13.59 N ATOM 6 CA GLU A 3 100.629 69.547 70.322 1.00 12.16 C ATOM 7 C GLU A 3 99.519 68.557 70.694 1.00 5.73 C ATOM 8 O GLU A 3 98.367 68.713 70.300 1.00 9.49 O ATOM 9 CB GLU A 3 100.611 70.741 71.284 1.00 14.14 C ATOM 10 CG GLU A 3 100.855 70.391 72.753 1.00 10.27 C ATOM 11 CD GLU A 3 100.248 71.409 73.709 1.00 17.10 C ATOM 12 OE1 GLU A 3 99.454 72.251 73.245 1.00 29.11 O ATOM 13 OE2 GLU A 3 100.539 71.361 74.927 1.00 13.61 O ATOM 0 H GLU A 3 100.509 70.858 68.842 1.00 13.59 H new ATOM 0 HA GLU A 3 101.479 69.087 70.400 1.00 12.16 H new ATOM 0 HB2 GLU A 3 101.286 71.378 71.001 1.00 14.14 H new ATOM 0 HB3 GLU A 3 99.752 71.186 71.210 1.00 14.14 H new ATOM 0 HG2 GLU A 3 100.481 69.515 72.939 1.00 10.27 H new ATOM 0 HG3 GLU A 3 101.810 70.332 72.913 1.00 10.27 H new ATOM 14 N ARG A 4 99.878 67.522 71.431 1.00 2.00 N ATOM 15 CA ARG A 4 98.901 66.530 71.840 1.00 12.74 C ATOM 16 C ARG A 4 98.567 66.649 73.333 1.00 17.06 C ATOM 17 O ARG A 4 99.272 67.323 74.101 1.00 15.19 O ATOM 18 CB ARG A 4 99.393 65.121 71.468 1.00 13.94 C ATOM 19 CG ARG A 4 99.601 64.957 69.965 1.00 13.21 C ATOM 20 CD ARG A 4 100.563 63.835 69.629 1.00 17.23 C ATOM 21 NE ARG A 4 101.027 63.886 68.238 1.00 25.12 N ATOM 22 CZ ARG A 4 100.323 63.472 67.184 1.00 26.05 C ATOM 23 NH1 ARG A 4 99.101 62.971 67.341 1.00 27.59 N ATOM 24 NH2 ARG A 4 100.856 63.527 65.968 1.00 21.13 N ATOM 0 H ARG A 4 100.680 67.375 71.705 1.00 2.00 H new ATOM 0 HA ARG A 4 98.074 66.695 71.361 1.00 12.74 H new ATOM 0 HB2 ARG A 4 100.227 64.940 71.929 1.00 13.94 H new ATOM 0 HB3 ARG A 4 98.749 64.464 71.777 1.00 13.94 H new ATOM 0 HG2 ARG A 4 98.746 64.784 69.541 1.00 13.21 H new ATOM 0 HG3 ARG A 4 99.937 65.788 69.596 1.00 13.21 H new ATOM 0 HD2 ARG A 4 101.328 63.881 70.223 1.00 17.23 H new ATOM 0 HD3 ARG A 4 100.129 62.983 69.790 1.00 17.23 H new ATOM 0 HE ARG A 4 101.811 64.207 68.092 1.00 25.12 H new ATOM 0 HH11 ARG A 4 98.758 62.912 68.128 1.00 27.59 H new ATOM 0 HH12 ARG A 4 98.654 62.706 66.656 1.00 27.59 H new ATOM 0 HH21 ARG A 4 101.654 63.829 65.862 1.00 21.13 H new ATOM 0 HH22 ARG A 4 100.403 63.260 65.287 1.00 21.13 H new ATOM 25 N THR A 5 97.454 66.038 73.722 1.00 20.32 N ATOM 26 CA THR A 5 97.004 66.069 75.105 1.00 25.04 C ATOM 27 C THR A 5 96.151 64.864 75.473 1.00 24.19 C ATOM 28 O THR A 5 95.288 64.440 74.704 1.00 23.80 O ATOM 29 CB THR A 5 96.198 67.364 75.423 1.00 30.27 C ATOM 30 OG1 THR A 5 95.400 67.153 76.596 1.00 37.35 O ATOM 31 CG2 THR A 5 95.296 67.765 74.263 1.00 24.81 C ATOM 0 H THR A 5 96.941 65.595 73.193 1.00 20.32 H new ATOM 0 HA THR A 5 97.815 66.050 75.637 1.00 25.04 H new ATOM 0 HB THR A 5 96.832 68.083 75.572 1.00 30.27 H new ATOM 0 HG1 THR A 5 95.487 67.807 77.116 1.00 37.35 H new ATOM 0 HG21 THR A 5 94.811 68.572 74.494 1.00 24.81 H new ATOM 0 HG22 THR A 5 95.836 67.928 73.474 1.00 24.81 H new ATOM 0 HG23 THR A 5 94.666 67.050 74.081 1.00 24.81 H new ATOM 32 N PHE A 6 96.399 64.305 76.649 1.00 25.79 N ATOM 33 CA PHE A 6 95.609 63.169 77.087 1.00 24.57 C ATOM 34 C PHE A 6 94.465 63.658 77.947 1.00 26.35 C ATOM 35 O PHE A 6 94.670 64.436 78.880 1.00 27.45 O ATOM 36 CB PHE A 6 96.430 62.172 77.899 1.00 17.60 C ATOM 37 CG PHE A 6 95.614 61.031 78.429 1.00 7.45 C ATOM 38 CD1 PHE A 6 95.300 59.949 77.612 1.00 2.35 C ATOM 39 CD2 PHE A 6 95.100 61.069 79.722 1.00 10.72 C ATOM 40 CE1 PHE A 6 94.489 58.929 78.064 1.00 2.00 C ATOM 41 CE2 PHE A 6 94.278 60.050 80.194 1.00 10.53 C ATOM 42 CZ PHE A 6 93.971 58.977 79.364 1.00 11.26 C ATOM 0 H PHE A 6 97.008 64.563 77.198 1.00 25.79 H new ATOM 0 HA PHE A 6 95.284 62.719 76.292 1.00 24.57 H new ATOM 0 HB2 PHE A 6 97.144 61.821 77.344 1.00 17.60 H new ATOM 0 HB3 PHE A 6 96.849 62.635 78.641 1.00 17.60 H new ATOM 0 HD1 PHE A 6 95.642 59.913 76.748 1.00 2.35 H new ATOM 0 HD2 PHE A 6 95.309 61.785 80.278 1.00 10.72 H new ATOM 0 HE1 PHE A 6 94.287 58.212 77.507 1.00 2.00 H new ATOM 0 HE2 PHE A 6 93.936 60.086 81.058 1.00 10.53 H new ATOM 0 HZ PHE A 6 93.422 58.292 79.672 1.00 11.26 H new ATOM 43 N LEU A 7 93.265 63.176 77.641 1.00 23.61 N ATOM 44 CA LEU A 7 92.087 63.538 78.404 1.00 19.16 C ATOM 45 C LEU A 7 91.032 62.453 78.220 1.00 18.25 C ATOM 46 O LEU A 7 90.683 62.096 77.100 1.00 16.06 O ATOM 47 CB LEU A 7 91.584 64.928 78.002 1.00 18.47 C ATOM 48 CG LEU A 7 90.907 65.202 76.665 1.00 15.23 C ATOM 49 CD1 LEU A 7 89.394 65.213 76.881 1.00 14.75 C ATOM 50 CD2 LEU A 7 91.368 66.552 76.138 1.00 12.11 C ATOM 0 H LEU A 7 93.115 62.634 76.990 1.00 23.61 H new ATOM 0 HA LEU A 7 92.303 63.594 79.348 1.00 19.16 H new ATOM 0 HB2 LEU A 7 90.960 65.206 78.690 1.00 18.47 H new ATOM 0 HB3 LEU A 7 92.347 65.524 78.053 1.00 18.47 H new ATOM 0 HG LEU A 7 91.140 64.516 76.020 1.00 15.23 H new ATOM 0 HD11 LEU A 7 88.948 65.387 76.037 1.00 14.75 H new ATOM 0 HD12 LEU A 7 89.110 64.352 77.225 1.00 14.75 H new ATOM 0 HD13 LEU A 7 89.163 65.908 77.517 1.00 14.75 H new ATOM 0 HD21 LEU A 7 90.939 66.731 75.286 1.00 12.11 H new ATOM 0 HD22 LEU A 7 91.129 67.246 76.772 1.00 12.11 H new ATOM 0 HD23 LEU A 7 92.331 66.542 76.019 1.00 12.11 H new ATOM 51 N MET A 8 90.571 61.900 79.337 1.00 19.43 N ATOM 52 CA MET A 8 89.587 60.822 79.327 1.00 20.59 C ATOM 53 C MET A 8 88.323 61.161 80.111 1.00 18.95 C ATOM 54 O MET A 8 88.290 62.120 80.887 1.00 20.47 O ATOM 55 CB MET A 8 90.205 59.569 79.944 1.00 23.09 C ATOM 56 CG MET A 8 90.318 59.635 81.448 1.00 21.08 C ATOM 57 SD MET A 8 91.376 58.370 82.147 1.00 39.55 S ATOM 58 CE MET A 8 92.441 59.382 83.201 1.00 33.32 C ATOM 0 H MET A 8 90.820 62.140 80.124 1.00 19.43 H new ATOM 0 HA MET A 8 89.336 60.681 78.401 1.00 20.59 H new ATOM 0 HB2 MET A 8 89.669 58.798 79.700 1.00 23.09 H new ATOM 0 HB3 MET A 8 91.088 59.432 79.566 1.00 23.09 H new ATOM 0 HG2 MET A 8 90.660 60.507 81.701 1.00 21.08 H new ATOM 0 HG3 MET A 8 89.432 59.554 81.835 1.00 21.08 H new ATOM 0 HE1 MET A 8 93.367 59.256 82.942 1.00 33.32 H new ATOM 0 HE2 MET A 8 92.202 60.317 83.101 1.00 33.32 H new ATOM 0 HE3 MET A 8 92.326 59.117 84.127 1.00 33.32 H new ATOM 59 N VAL A 9 87.287 60.355 79.913 1.00 11.21 N ATOM 60 CA VAL A 9 86.045 60.559 80.628 1.00 10.03 C ATOM 61 C VAL A 9 86.009 59.556 81.769 1.00 9.96 C ATOM 62 O VAL A 9 85.964 58.353 81.556 1.00 4.71 O ATOM 63 CB VAL A 9 84.823 60.374 79.715 1.00 10.81 C ATOM 64 CG1 VAL A 9 83.533 60.590 80.500 1.00 9.84 C ATOM 65 CG2 VAL A 9 84.898 61.343 78.567 1.00 6.27 C ATOM 0 H VAL A 9 87.286 59.688 79.370 1.00 11.21 H new ATOM 0 HA VAL A 9 86.006 61.469 80.961 1.00 10.03 H new ATOM 0 HB VAL A 9 84.824 59.468 79.369 1.00 10.81 H new ATOM 0 HG11 VAL A 9 82.772 60.470 79.911 1.00 9.84 H new ATOM 0 HG12 VAL A 9 83.484 59.948 81.226 1.00 9.84 H new ATOM 0 HG13 VAL A 9 83.522 61.489 80.863 1.00 9.84 H new ATOM 0 HG21 VAL A 9 84.126 61.224 77.992 1.00 6.27 H new ATOM 0 HG22 VAL A 9 84.909 62.250 78.909 1.00 6.27 H new ATOM 0 HG23 VAL A 9 85.707 61.180 78.058 1.00 6.27 H new ATOM 66 N LYS A 10 86.097 60.062 82.989 1.00 9.66 N ATOM 67 CA LYS A 10 86.072 59.208 84.160 1.00 7.69 C ATOM 68 C LYS A 10 84.780 58.377 84.179 1.00 11.21 C ATOM 69 O LYS A 10 83.777 58.756 83.559 1.00 16.04 O ATOM 70 CB LYS A 10 86.241 60.077 85.407 1.00 8.49 C ATOM 71 CG LYS A 10 87.640 60.694 85.484 1.00 16.93 C ATOM 72 CD LYS A 10 87.693 61.974 86.301 1.00 18.06 C ATOM 73 CE LYS A 10 87.062 61.819 87.676 1.00 21.89 C ATOM 74 NZ LYS A 10 87.223 63.068 88.460 1.00 18.72 N ATOM 0 H LYS A 10 86.172 60.902 83.159 1.00 9.66 H new ATOM 0 HA LYS A 10 86.806 58.574 84.139 1.00 7.69 H new ATOM 0 HB2 LYS A 10 85.576 60.783 85.402 1.00 8.49 H new ATOM 0 HB3 LYS A 10 86.080 59.541 86.199 1.00 8.49 H new ATOM 0 HG2 LYS A 10 88.251 60.047 85.870 1.00 16.93 H new ATOM 0 HG3 LYS A 10 87.954 60.879 84.585 1.00 16.93 H new ATOM 0 HD2 LYS A 10 88.617 62.250 86.403 1.00 18.06 H new ATOM 0 HD3 LYS A 10 87.237 62.681 85.818 1.00 18.06 H new ATOM 0 HE2 LYS A 10 86.120 61.606 87.584 1.00 21.89 H new ATOM 0 HE3 LYS A 10 87.475 61.079 88.147 1.00 21.89 H new ATOM 0 HZ1 LYS A 10 87.313 62.868 89.323 1.00 18.72 H new ATOM 0 HZ2 LYS A 10 87.947 63.503 88.180 1.00 18.72 H new ATOM 0 HZ3 LYS A 10 86.506 63.583 88.349 1.00 18.72 H new ATOM 75 N PRO A 11 84.807 57.207 84.845 1.00 6.81 N ATOM 76 CA PRO A 11 83.687 56.276 84.974 1.00 6.74 C ATOM 77 C PRO A 11 82.318 56.925 85.080 1.00 9.89 C ATOM 78 O PRO A 11 81.365 56.494 84.428 1.00 11.76 O ATOM 79 CB PRO A 11 84.042 55.524 86.247 1.00 9.63 C ATOM 80 CG PRO A 11 85.506 55.382 86.103 1.00 10.01 C ATOM 81 CD PRO A 11 85.937 56.758 85.677 1.00 10.96 C ATOM 0 HA PRO A 11 83.592 55.725 84.182 1.00 6.74 H new ATOM 0 HB2 PRO A 11 83.800 56.020 87.044 1.00 9.63 H new ATOM 0 HB3 PRO A 11 83.595 54.665 86.301 1.00 9.63 H new ATOM 0 HG2 PRO A 11 85.925 55.116 86.936 1.00 10.01 H new ATOM 0 HG3 PRO A 11 85.739 54.712 85.442 1.00 10.01 H new ATOM 0 HD2 PRO A 11 86.079 57.343 86.438 1.00 10.96 H new ATOM 0 HD3 PRO A 11 86.767 56.737 85.176 1.00 10.96 H new ATOM 82 N ASP A 12 82.228 57.966 85.901 1.00 12.95 N ATOM 83 CA ASP A 12 80.972 58.675 86.107 1.00 14.18 C ATOM 84 C ASP A 12 80.323 59.175 84.815 1.00 11.70 C ATOM 85 O ASP A 12 79.186 58.798 84.516 1.00 9.24 O ATOM 86 CB ASP A 12 81.152 59.822 87.111 1.00 13.23 C ATOM 87 CG ASP A 12 82.174 60.849 86.662 1.00 14.10 C ATOM 88 OD1 ASP A 12 81.925 62.050 86.856 1.00 15.95 O ATOM 89 OD2 ASP A 12 83.230 60.468 86.129 1.00 17.39 O ATOM 0 H ASP A 12 82.890 58.279 86.352 1.00 12.95 H new ATOM 0 HA ASP A 12 80.356 58.023 86.475 1.00 14.18 H new ATOM 0 HB2 ASP A 12 80.298 60.262 87.248 1.00 13.23 H new ATOM 0 HB3 ASP A 12 81.424 59.456 87.967 1.00 13.23 H new ATOM 90 N GLY A 13 81.053 59.980 84.044 1.00 5.57 N ATOM 91 CA GLY A 13 80.514 60.513 82.804 1.00 8.06 C ATOM 92 C GLY A 13 80.060 59.448 81.818 1.00 12.76 C ATOM 93 O GLY A 13 79.027 59.597 81.167 1.00 11.05 O ATOM 0 H GLY A 13 81.857 60.226 84.223 1.00 5.57 H new ATOM 0 HA2 GLY A 13 79.763 61.091 83.011 1.00 8.06 H new ATOM 0 HA3 GLY A 13 81.189 61.066 82.380 1.00 8.06 H new ATOM 94 N VAL A 14 80.837 58.370 81.713 1.00 17.07 N ATOM 95 CA VAL A 14 80.528 57.252 80.820 1.00 11.23 C ATOM 96 C VAL A 14 79.160 56.727 81.247 1.00 11.87 C ATOM 97 O VAL A 14 78.266 56.510 80.422 1.00 12.32 O ATOM 98 CB VAL A 14 81.582 56.117 80.959 1.00 6.55 C ATOM 99 CG1 VAL A 14 81.456 55.126 79.835 1.00 2.00 C ATOM 100 CG2 VAL A 14 82.971 56.698 80.955 1.00 17.74 C ATOM 0 H VAL A 14 81.564 58.266 82.161 1.00 17.07 H new ATOM 0 HA VAL A 14 80.535 57.545 79.895 1.00 11.23 H new ATOM 0 HB VAL A 14 81.421 55.660 81.799 1.00 6.55 H new ATOM 0 HG11 VAL A 14 82.122 54.429 79.942 1.00 2.00 H new ATOM 0 HG12 VAL A 14 80.570 54.731 79.849 1.00 2.00 H new ATOM 0 HG13 VAL A 14 81.595 55.578 78.988 1.00 2.00 H new ATOM 0 HG21 VAL A 14 83.621 55.983 81.042 1.00 17.74 H new ATOM 0 HG22 VAL A 14 83.121 57.172 80.122 1.00 17.74 H new ATOM 0 HG23 VAL A 14 83.067 57.314 81.698 1.00 17.74 H new ATOM 101 N GLN A 15 78.999 56.596 82.558 1.00 14.11 N ATOM 102 CA GLN A 15 77.762 56.124 83.158 1.00 13.56 C ATOM 103 C GLN A 15 76.643 57.156 83.034 1.00 7.90 C ATOM 104 O GLN A 15 75.476 56.780 82.913 1.00 2.00 O ATOM 105 CB GLN A 15 77.990 55.793 84.636 1.00 18.58 C ATOM 106 CG GLN A 15 78.868 54.584 84.885 1.00 23.88 C ATOM 107 CD GLN A 15 78.191 53.289 84.496 1.00 27.00 C ATOM 108 OE1 GLN A 15 77.186 53.296 83.793 1.00 28.58 O ATOM 109 NE2 GLN A 15 78.732 52.168 84.961 1.00 31.53 N ATOM 0 H GLN A 15 79.614 56.781 83.130 1.00 14.11 H new ATOM 0 HA GLN A 15 77.490 55.326 82.679 1.00 13.56 H new ATOM 0 HB2 GLN A 15 78.390 56.563 85.069 1.00 18.58 H new ATOM 0 HB3 GLN A 15 77.129 55.645 85.058 1.00 18.58 H new ATOM 0 HG2 GLN A 15 79.693 54.678 84.384 1.00 23.88 H new ATOM 0 HG3 GLN A 15 79.109 54.551 85.824 1.00 23.88 H new ATOM 0 HE21 GLN A 15 79.438 52.202 85.451 1.00 31.53 H new ATOM 0 HE22 GLN A 15 78.377 51.408 84.771 1.00 31.53 H new ATOM 110 N ARG A 16 77.001 58.443 83.079 1.00 4.21 N ATOM 111 CA ARG A 16 76.014 59.525 82.973 1.00 9.88 C ATOM 112 C ARG A 16 75.705 59.861 81.502 1.00 9.75 C ATOM 113 O ARG A 16 75.215 60.946 81.196 1.00 10.51 O ATOM 114 CB ARG A 16 76.488 60.797 83.696 1.00 4.54 C ATOM 115 CG ARG A 16 76.959 60.601 85.118 1.00 7.22 C ATOM 116 CD ARG A 16 77.380 61.926 85.769 1.00 7.39 C ATOM 117 NE ARG A 16 76.229 62.808 85.952 1.00 4.75 N ATOM 118 CZ ARG A 16 76.299 64.101 86.244 1.00 3.79 C ATOM 119 NH1 ARG A 16 77.476 64.692 86.413 1.00 2.29 N ATOM 120 NH2 ARG A 16 75.182 64.820 86.281 1.00 2.66 N ATOM 0 H ARG A 16 77.813 58.712 83.171 1.00 4.21 H new ATOM 0 HA ARG A 16 75.205 59.205 83.401 1.00 9.88 H new ATOM 0 HB2 ARG A 16 77.212 61.191 83.184 1.00 4.54 H new ATOM 0 HB3 ARG A 16 75.761 61.439 83.699 1.00 4.54 H new ATOM 0 HG2 ARG A 16 76.249 60.195 85.640 1.00 7.22 H new ATOM 0 HG3 ARG A 16 77.707 59.984 85.128 1.00 7.22 H new ATOM 0 HD2 ARG A 16 77.797 61.751 86.627 1.00 7.39 H new ATOM 0 HD3 ARG A 16 78.044 62.366 85.215 1.00 7.39 H new ATOM 0 HE ARG A 16 75.446 62.463 85.864 1.00 4.75 H new ATOM 0 HH11 ARG A 16 78.201 64.237 86.333 1.00 2.29 H new ATOM 0 HH12 ARG A 16 77.513 65.530 86.602 1.00 2.29 H new ATOM 0 HH21 ARG A 16 74.425 64.447 86.117 1.00 2.66 H new ATOM 0 HH22 ARG A 16 75.216 65.658 86.469 1.00 2.66 H new ATOM 121 N ASN A 17 76.056 58.945 80.604 1.00 8.51 N ATOM 122 CA ASN A 17 75.813 59.077 79.171 1.00 6.13 C ATOM 123 C ASN A 17 76.383 60.337 78.513 1.00 7.67 C ATOM 124 O ASN A 17 76.013 60.676 77.390 1.00 2.87 O ATOM 125 CB ASN A 17 74.310 58.933 78.872 1.00 4.97 C ATOM 126 CG ASN A 17 73.751 57.563 79.272 1.00 9.62 C ATOM 127 OD1 ASN A 17 73.451 57.331 80.436 1.00 12.50 O ATOM 128 ND2 ASN A 17 73.599 56.660 78.300 1.00 5.41 N ATOM 0 H ASN A 17 76.452 58.212 80.817 1.00 8.51 H new ATOM 0 HA ASN A 17 76.311 58.351 78.764 1.00 6.13 H new ATOM 0 HB2 ASN A 17 73.823 59.626 79.344 1.00 4.97 H new ATOM 0 HB3 ASN A 17 74.158 59.075 77.925 1.00 4.97 H new ATOM 0 HD21 ASN A 17 73.280 55.882 78.482 1.00 5.41 H new ATOM 0 HD22 ASN A 17 73.820 56.856 77.492 1.00 5.41 H new ATOM 129 N LEU A 18 77.336 60.987 79.176 1.00 11.81 N ATOM 130 CA LEU A 18 77.946 62.208 78.639 1.00 13.00 C ATOM 131 C LEU A 18 79.135 61.965 77.706 1.00 13.02 C ATOM 132 O LEU A 18 79.895 62.899 77.404 1.00 7.09 O ATOM 133 CB LEU A 18 78.416 63.110 79.775 1.00 10.71 C ATOM 134 CG LEU A 18 77.409 63.414 80.862 1.00 9.70 C ATOM 135 CD1 LEU A 18 78.114 64.128 81.967 1.00 7.55 C ATOM 136 CD2 LEU A 18 76.273 64.242 80.297 1.00 25.84 C ATOM 0 H LEU A 18 77.646 60.740 79.939 1.00 11.81 H new ATOM 0 HA LEU A 18 77.246 62.626 78.114 1.00 13.00 H new ATOM 0 HB2 LEU A 18 79.192 62.698 80.187 1.00 10.71 H new ATOM 0 HB3 LEU A 18 78.711 63.951 79.392 1.00 10.71 H new ATOM 0 HG LEU A 18 77.023 62.595 81.211 1.00 9.70 H new ATOM 0 HD11 LEU A 18 77.483 64.332 82.675 1.00 7.55 H new ATOM 0 HD12 LEU A 18 78.821 63.564 82.317 1.00 7.55 H new ATOM 0 HD13 LEU A 18 78.496 64.952 81.628 1.00 7.55 H new ATOM 0 HD21 LEU A 18 75.631 64.433 80.999 1.00 25.84 H new ATOM 0 HD22 LEU A 18 76.624 65.075 79.944 1.00 25.84 H new ATOM 0 HD23 LEU A 18 75.836 63.749 79.585 1.00 25.84 H new ATOM 137 N VAL A 19 79.305 60.731 77.242 1.00 10.79 N ATOM 138 CA VAL A 19 80.436 60.442 76.362 1.00 14.99 C ATOM 139 C VAL A 19 80.416 61.330 75.107 1.00 17.45 C ATOM 140 O VAL A 19 81.316 62.164 74.924 1.00 14.46 O ATOM 141 CB VAL A 19 80.506 58.943 75.998 1.00 3.47 C ATOM 142 CG1 VAL A 19 81.612 58.688 74.995 1.00 11.07 C ATOM 143 CG2 VAL A 19 80.730 58.123 77.246 1.00 2.00 C ATOM 0 H VAL A 19 78.793 60.062 77.417 1.00 10.79 H new ATOM 0 HA VAL A 19 81.245 60.655 76.853 1.00 14.99 H new ATOM 0 HB VAL A 19 79.664 58.681 75.594 1.00 3.47 H new ATOM 0 HG11 VAL A 19 81.641 57.743 74.778 1.00 11.07 H new ATOM 0 HG12 VAL A 19 81.442 59.199 74.188 1.00 11.07 H new ATOM 0 HG13 VAL A 19 82.462 58.959 75.375 1.00 11.07 H new ATOM 0 HG21 VAL A 19 80.773 57.183 77.012 1.00 2.00 H new ATOM 0 HG22 VAL A 19 81.564 58.390 77.664 1.00 2.00 H new ATOM 0 HG23 VAL A 19 79.997 58.268 77.865 1.00 2.00 H new ATOM 144 N GLY A 20 79.346 61.206 74.317 1.00 15.62 N ATOM 145 CA GLY A 20 79.191 61.980 73.098 1.00 11.97 C ATOM 146 C GLY A 20 79.448 63.477 73.207 1.00 16.20 C ATOM 147 O GLY A 20 80.337 63.991 72.518 1.00 13.05 O ATOM 0 H GLY A 20 78.694 60.669 74.478 1.00 15.62 H new ATOM 0 HA2 GLY A 20 79.792 61.617 72.429 1.00 11.97 H new ATOM 0 HA3 GLY A 20 78.288 61.850 72.769 1.00 11.97 H new ATOM 148 N GLU A 21 78.704 64.166 74.078 1.00 11.46 N ATOM 149 CA GLU A 21 78.853 65.614 74.257 1.00 8.95 C ATOM 150 C GLU A 21 80.297 65.970 74.562 1.00 9.01 C ATOM 151 O GLU A 21 80.885 66.779 73.861 1.00 4.17 O ATOM 152 CB GLU A 21 77.969 66.150 75.398 1.00 19.49 C ATOM 153 CG GLU A 21 76.479 65.814 75.319 1.00 25.98 C ATOM 154 CD GLU A 21 76.176 64.351 75.651 1.00 31.60 C ATOM 155 OE1 GLU A 21 76.077 64.022 76.857 1.00 35.08 O ATOM 156 OE2 GLU A 21 76.044 63.530 74.713 1.00 20.72 O ATOM 0 H GLU A 21 78.102 63.809 74.579 1.00 11.46 H new ATOM 0 HA GLU A 21 78.573 66.025 73.424 1.00 8.95 H new ATOM 0 HB2 GLU A 21 78.314 65.807 76.237 1.00 19.49 H new ATOM 0 HB3 GLU A 21 78.062 67.115 75.427 1.00 19.49 H new ATOM 0 HG2 GLU A 21 75.991 66.387 75.931 1.00 25.98 H new ATOM 0 HG3 GLU A 21 76.155 66.011 74.426 1.00 25.98 H new ATOM 157 N VAL A 22 80.867 65.344 75.595 1.00 11.29 N ATOM 158 CA VAL A 22 82.250 65.605 75.984 1.00 10.13 C ATOM 159 C VAL A 22 83.216 65.379 74.829 1.00 10.72 C ATOM 160 O VAL A 22 84.249 66.018 74.783 1.00 13.73 O ATOM 161 CB VAL A 22 82.706 64.758 77.209 1.00 20.21 C ATOM 162 CG1 VAL A 22 84.205 64.932 77.437 1.00 15.34 C ATOM 163 CG2 VAL A 22 81.954 65.180 78.469 1.00 17.73 C ATOM 0 H VAL A 22 80.465 64.762 76.084 1.00 11.29 H new ATOM 0 HA VAL A 22 82.271 66.540 76.240 1.00 10.13 H new ATOM 0 HB VAL A 22 82.510 63.827 77.021 1.00 20.21 H new ATOM 0 HG11 VAL A 22 84.480 64.402 78.201 1.00 15.34 H new ATOM 0 HG12 VAL A 22 84.689 64.638 76.649 1.00 15.34 H new ATOM 0 HG13 VAL A 22 84.400 65.867 77.606 1.00 15.34 H new ATOM 0 HG21 VAL A 22 82.252 64.642 79.219 1.00 17.73 H new ATOM 0 HG22 VAL A 22 82.130 66.116 78.653 1.00 17.73 H new ATOM 0 HG23 VAL A 22 81.002 65.051 78.336 1.00 17.73 H new ATOM 164 N VAL A 23 82.919 64.449 73.922 1.00 10.93 N ATOM 165 CA VAL A 23 83.806 64.252 72.774 1.00 14.55 C ATOM 166 C VAL A 23 83.559 65.471 71.866 1.00 17.69 C ATOM 167 O VAL A 23 84.443 66.307 71.667 1.00 16.73 O ATOM 168 CB VAL A 23 83.491 62.941 71.970 1.00 16.58 C ATOM 169 CG1 VAL A 23 84.427 62.821 70.777 1.00 10.38 C ATOM 170 CG2 VAL A 23 83.618 61.703 72.846 1.00 14.45 C ATOM 0 H VAL A 23 82.230 63.935 73.949 1.00 10.93 H new ATOM 0 HA VAL A 23 84.724 64.166 73.076 1.00 14.55 H new ATOM 0 HB VAL A 23 82.574 62.999 71.660 1.00 16.58 H new ATOM 0 HG11 VAL A 23 84.225 62.009 70.287 1.00 10.38 H new ATOM 0 HG12 VAL A 23 84.309 63.587 70.194 1.00 10.38 H new ATOM 0 HG13 VAL A 23 85.345 62.790 71.088 1.00 10.38 H new ATOM 0 HG21 VAL A 23 83.418 60.913 72.321 1.00 14.45 H new ATOM 0 HG22 VAL A 23 84.523 61.641 73.190 1.00 14.45 H new ATOM 0 HG23 VAL A 23 82.995 61.765 73.587 1.00 14.45 H new ATOM 171 N LYS A 24 82.308 65.602 71.424 1.00 19.40 N ATOM 172 CA LYS A 24 81.844 66.681 70.549 1.00 19.34 C ATOM 173 C LYS A 24 82.325 68.088 70.900 1.00 19.27 C ATOM 174 O LYS A 24 82.653 68.869 70.009 1.00 25.81 O ATOM 175 CB LYS A 24 80.311 66.680 70.487 1.00 22.53 C ATOM 176 CG LYS A 24 79.710 67.985 69.969 1.00 22.16 C ATOM 177 CD LYS A 24 78.321 68.247 70.547 1.00 17.88 C ATOM 178 CE LYS A 24 77.217 67.747 69.639 1.00 7.05 C ATOM 179 NZ LYS A 24 77.242 68.459 68.320 1.00 5.27 N ATOM 0 H LYS A 24 81.685 65.047 71.632 1.00 19.40 H new ATOM 0 HA LYS A 24 82.246 66.480 69.689 1.00 19.34 H new ATOM 0 HB2 LYS A 24 80.020 65.952 69.916 1.00 22.53 H new ATOM 0 HB3 LYS A 24 79.961 66.503 71.374 1.00 22.53 H new ATOM 0 HG2 LYS A 24 80.298 68.723 70.196 1.00 22.16 H new ATOM 0 HG3 LYS A 24 79.655 67.953 69.001 1.00 22.16 H new ATOM 0 HD2 LYS A 24 78.246 67.815 71.412 1.00 17.88 H new ATOM 0 HD3 LYS A 24 78.209 69.199 70.695 1.00 17.88 H new ATOM 0 HE2 LYS A 24 77.318 66.793 69.497 1.00 7.05 H new ATOM 0 HE3 LYS A 24 76.357 67.881 70.066 1.00 7.05 H new ATOM 0 HZ1 LYS A 24 76.424 68.465 67.970 1.00 5.27 H new ATOM 0 HZ2 LYS A 24 77.519 69.296 68.440 1.00 5.27 H new ATOM 0 HZ3 LYS A 24 77.798 68.039 67.766 1.00 5.27 H new ATOM 180 N ARG A 25 82.355 68.413 72.187 1.00 14.24 N ATOM 181 CA ARG A 25 82.772 69.738 72.627 1.00 12.98 C ATOM 182 C ARG A 25 84.087 70.141 71.975 1.00 17.29 C ATOM 183 O ARG A 25 84.233 71.266 71.476 1.00 22.48 O ATOM 184 CB ARG A 25 82.937 69.776 74.151 1.00 2.00 C ATOM 185 CG ARG A 25 81.686 69.434 74.927 1.00 4.63 C ATOM 186 CD ARG A 25 80.656 70.528 74.867 1.00 2.00 C ATOM 187 NE ARG A 25 80.502 71.184 76.159 1.00 8.63 N ATOM 188 CZ ARG A 25 79.509 70.929 77.005 1.00 11.43 C ATOM 189 NH1 ARG A 25 78.595 70.028 76.675 1.00 9.03 N ATOM 190 NH2 ARG A 25 79.417 71.581 78.165 1.00 6.43 N ATOM 0 H ARG A 25 82.137 67.878 72.824 1.00 14.24 H new ATOM 0 HA ARG A 25 82.080 70.364 72.361 1.00 12.98 H new ATOM 0 HB2 ARG A 25 83.640 69.157 74.404 1.00 2.00 H new ATOM 0 HB3 ARG A 25 83.232 70.663 74.411 1.00 2.00 H new ATOM 0 HG2 ARG A 25 81.304 68.615 74.575 1.00 4.63 H new ATOM 0 HG3 ARG A 25 81.919 69.264 75.853 1.00 4.63 H new ATOM 0 HD2 ARG A 25 80.915 71.182 74.199 1.00 2.00 H new ATOM 0 HD3 ARG A 25 79.804 70.158 74.587 1.00 2.00 H new ATOM 0 HE ARG A 25 81.088 71.771 76.388 1.00 8.63 H new ATOM 0 HH11 ARG A 25 78.649 69.617 75.922 1.00 9.03 H new ATOM 0 HH12 ARG A 25 77.948 69.855 77.214 1.00 9.03 H new ATOM 0 HH21 ARG A 25 80.004 72.174 78.373 1.00 6.43 H new ATOM 0 HH22 ARG A 25 78.770 71.408 78.705 1.00 6.43 H new ATOM 191 N PHE A 26 85.018 69.193 71.931 1.00 10.36 N ATOM 192 CA PHE A 26 86.333 69.457 71.385 1.00 5.98 C ATOM 193 C PHE A 26 86.369 69.387 69.863 1.00 9.55 C ATOM 194 O PHE A 26 87.209 70.033 69.223 1.00 13.99 O ATOM 195 CB PHE A 26 87.356 68.526 72.042 1.00 7.28 C ATOM 196 CG PHE A 26 87.241 68.467 73.553 1.00 11.33 C ATOM 197 CD1 PHE A 26 87.844 69.431 74.357 1.00 6.74 C ATOM 198 CD2 PHE A 26 86.492 67.467 74.173 1.00 3.81 C ATOM 199 CE1 PHE A 26 87.691 69.393 75.753 1.00 2.00 C ATOM 200 CE2 PHE A 26 86.345 67.436 75.566 1.00 2.00 C ATOM 201 CZ PHE A 26 86.940 68.395 76.342 1.00 2.00 C ATOM 0 H PHE A 26 84.903 68.389 72.214 1.00 10.36 H new ATOM 0 HA PHE A 26 86.570 70.374 71.596 1.00 5.98 H new ATOM 0 HB2 PHE A 26 87.247 67.632 71.682 1.00 7.28 H new ATOM 0 HB3 PHE A 26 88.249 68.820 71.804 1.00 7.28 H new ATOM 0 HD1 PHE A 26 88.352 70.105 73.967 1.00 6.74 H new ATOM 0 HD2 PHE A 26 86.084 66.811 73.654 1.00 3.81 H new ATOM 0 HE1 PHE A 26 88.097 70.042 76.282 1.00 2.00 H new ATOM 0 HE2 PHE A 26 85.842 66.763 75.965 1.00 2.00 H new ATOM 0 HZ PHE A 26 86.838 68.374 77.266 1.00 2.00 H new ATOM 202 N GLU A 27 85.450 68.634 69.270 1.00 9.58 N ATOM 203 CA GLU A 27 85.399 68.543 67.810 1.00 11.11 C ATOM 204 C GLU A 27 85.025 69.908 67.233 1.00 16.03 C ATOM 205 O GLU A 27 85.742 70.448 66.377 1.00 18.52 O ATOM 206 CB GLU A 27 84.358 67.536 67.360 1.00 4.17 C ATOM 207 CG GLU A 27 84.574 66.140 67.864 1.00 3.22 C ATOM 208 CD GLU A 27 84.152 65.135 66.837 1.00 10.14 C ATOM 209 OE1 GLU A 27 82.931 64.842 66.759 1.00 4.48 O ATOM 210 OE2 GLU A 27 85.045 64.675 66.080 1.00 14.64 O ATOM 0 H GLU A 27 84.854 68.173 69.685 1.00 9.58 H new ATOM 0 HA GLU A 27 86.272 68.259 67.495 1.00 11.11 H new ATOM 0 HB2 GLU A 27 83.485 67.840 67.652 1.00 4.17 H new ATOM 0 HB3 GLU A 27 84.342 67.517 66.390 1.00 4.17 H new ATOM 0 HG2 GLU A 27 85.510 66.012 68.083 1.00 3.22 H new ATOM 0 HG3 GLU A 27 84.070 66.005 68.682 1.00 3.22 H new ATOM 211 N SER A 28 83.925 70.470 67.750 1.00 10.51 N ATOM 212 CA SER A 28 83.417 71.770 67.326 1.00 2.00 C ATOM 213 C SER A 28 84.267 72.920 67.855 1.00 2.74 C ATOM 214 O SER A 28 83.868 74.079 67.765 1.00 2.27 O ATOM 215 CB SER A 28 81.972 71.950 67.787 1.00 8.70 C ATOM 216 OG SER A 28 81.899 72.234 69.175 1.00 15.51 O ATOM 0 H SER A 28 83.451 70.098 68.364 1.00 10.51 H new ATOM 0 HA SER A 28 83.459 71.790 66.357 1.00 2.00 H new ATOM 0 HB2 SER A 28 81.559 72.671 67.286 1.00 8.70 H new ATOM 0 HB3 SER A 28 81.467 71.145 67.594 1.00 8.70 H new ATOM 0 HG SER A 28 81.095 72.329 69.400 1.00 15.51 H new ATOM 217 N LYS A 29 85.393 72.583 68.480 1.00 2.31 N ATOM 218 CA LYS A 29 86.331 73.565 69.012 1.00 5.46 C ATOM 219 C LYS A 29 87.511 73.630 68.052 1.00 15.32 C ATOM 220 O LYS A 29 88.084 74.691 67.825 1.00 14.96 O ATOM 221 CB LYS A 29 86.845 73.121 70.379 1.00 4.30 C ATOM 222 CG LYS A 29 87.968 73.986 70.947 1.00 2.00 C ATOM 223 CD LYS A 29 87.424 75.327 71.354 1.00 2.00 C ATOM 224 CE LYS A 29 88.495 76.243 71.830 1.00 2.00 C ATOM 225 NZ LYS A 29 87.867 77.513 72.246 1.00 8.08 N ATOM 0 H LYS A 29 85.635 71.768 68.608 1.00 2.31 H new ATOM 0 HA LYS A 29 85.893 74.426 69.105 1.00 5.46 H new ATOM 0 HB2 LYS A 29 86.104 73.121 71.005 1.00 4.30 H new ATOM 0 HB3 LYS A 29 87.160 72.206 70.312 1.00 4.30 H new ATOM 0 HG2 LYS A 29 88.371 73.546 71.712 1.00 2.00 H new ATOM 0 HG3 LYS A 29 88.667 74.099 70.284 1.00 2.00 H new ATOM 0 HD2 LYS A 29 86.965 75.731 70.601 1.00 2.00 H new ATOM 0 HD3 LYS A 29 86.766 75.208 72.056 1.00 2.00 H new ATOM 0 HE2 LYS A 29 88.975 75.844 72.572 1.00 2.00 H new ATOM 0 HE3 LYS A 29 89.143 76.401 71.125 1.00 2.00 H new ATOM 0 HZ1 LYS A 29 88.495 78.074 72.534 1.00 8.08 H new ATOM 0 HZ2 LYS A 29 87.441 77.875 71.553 1.00 8.08 H new ATOM 0 HZ3 LYS A 29 87.286 77.356 72.902 1.00 8.08 H new ATOM 226 N GLY A 30 87.885 72.473 67.512 1.00 22.96 N ATOM 227 CA GLY A 30 88.999 72.417 66.583 1.00 22.70 C ATOM 228 C GLY A 30 89.988 71.336 66.959 1.00 24.44 C ATOM 229 O GLY A 30 90.764 70.896 66.112 1.00 29.25 O ATOM 0 H GLY A 30 87.508 71.717 67.671 1.00 22.96 H new ATOM 0 HA2 GLY A 30 88.665 72.253 65.687 1.00 22.70 H new ATOM 0 HA3 GLY A 30 89.449 73.276 66.565 1.00 22.70 H new ATOM 230 N LEU A 31 89.946 70.901 68.221 1.00 21.30 N ATOM 231 CA LEU A 31 90.851 69.874 68.735 1.00 16.52 C ATOM 232 C LEU A 31 90.644 68.608 67.913 1.00 21.19 C ATOM 233 O LEU A 31 89.513 68.291 67.539 1.00 25.51 O ATOM 234 CB LEU A 31 90.581 69.618 70.226 1.00 11.21 C ATOM 235 CG LEU A 31 90.295 70.835 71.142 1.00 9.02 C ATOM 236 CD1 LEU A 31 90.444 70.429 72.585 1.00 11.31 C ATOM 237 CD2 LEU A 31 91.222 71.999 70.884 1.00 2.00 C ATOM 0 H LEU A 31 89.388 71.196 68.805 1.00 21.30 H new ATOM 0 HA LEU A 31 91.773 70.166 68.657 1.00 16.52 H new ATOM 0 HB2 LEU A 31 89.824 69.015 70.290 1.00 11.21 H new ATOM 0 HB3 LEU A 31 91.348 69.149 70.589 1.00 11.21 H new ATOM 0 HG LEU A 31 89.390 71.122 70.944 1.00 9.02 H new ATOM 0 HD11 LEU A 31 90.265 71.192 73.156 1.00 11.31 H new ATOM 0 HD12 LEU A 31 89.815 69.719 72.788 1.00 11.31 H new ATOM 0 HD13 LEU A 31 91.348 70.114 72.741 1.00 11.31 H new ATOM 0 HD21 LEU A 31 90.999 72.729 71.482 1.00 2.00 H new ATOM 0 HD22 LEU A 31 92.139 71.723 71.039 1.00 2.00 H new ATOM 0 HD23 LEU A 31 91.124 72.293 69.965 1.00 2.00 H new ATOM 238 N LYS A 32 91.736 67.918 67.586 1.00 23.59 N ATOM 239 CA LYS A 32 91.650 66.708 66.766 1.00 16.39 C ATOM 240 C LYS A 32 91.867 65.401 67.515 1.00 12.91 C ATOM 241 O LYS A 32 92.892 65.200 68.168 1.00 10.85 O ATOM 242 CB LYS A 32 92.597 66.798 65.562 1.00 14.15 C ATOM 243 CG LYS A 32 92.503 65.592 64.616 1.00 18.15 C ATOM 244 CD LYS A 32 93.070 65.894 63.234 1.00 17.04 C ATOM 245 CE LYS A 32 94.547 66.280 63.285 1.00 19.36 C ATOM 246 NZ LYS A 32 95.001 66.872 61.987 1.00 14.48 N ATOM 0 H LYS A 32 92.533 68.132 67.827 1.00 23.59 H new ATOM 0 HA LYS A 32 90.728 66.678 66.465 1.00 16.39 H new ATOM 0 HB2 LYS A 32 92.399 67.607 65.064 1.00 14.15 H new ATOM 0 HB3 LYS A 32 93.509 66.878 65.882 1.00 14.15 H new ATOM 0 HG2 LYS A 32 92.982 64.842 65.003 1.00 18.15 H new ATOM 0 HG3 LYS A 32 91.575 65.322 64.531 1.00 18.15 H new ATOM 0 HD2 LYS A 32 92.961 65.116 62.665 1.00 17.04 H new ATOM 0 HD3 LYS A 32 92.563 66.615 62.829 1.00 17.04 H new ATOM 0 HE2 LYS A 32 94.692 66.917 64.002 1.00 19.36 H new ATOM 0 HE3 LYS A 32 95.081 65.497 63.490 1.00 19.36 H new ATOM 0 HZ1 LYS A 32 95.831 67.180 62.075 1.00 14.48 H new ATOM 0 HZ2 LYS A 32 94.982 66.248 61.353 1.00 14.48 H new ATOM 0 HZ3 LYS A 32 94.460 67.541 61.760 1.00 14.48 H new ATOM 247 N LEU A 33 90.894 64.504 67.386 1.00 12.17 N ATOM 248 CA LEU A 33 90.939 63.204 68.039 1.00 14.41 C ATOM 249 C LEU A 33 91.948 62.230 67.437 1.00 19.07 C ATOM 250 O LEU A 33 91.652 61.532 66.470 1.00 20.90 O ATOM 251 CB LEU A 33 89.560 62.556 68.027 1.00 10.68 C ATOM 252 CG LEU A 33 89.450 61.141 68.595 1.00 7.15 C ATOM 253 CD1 LEU A 33 88.959 61.211 70.040 1.00 6.87 C ATOM 254 CD2 LEU A 33 88.493 60.329 67.741 1.00 6.38 C ATOM 0 H LEU A 33 90.187 64.635 66.915 1.00 12.17 H new ATOM 0 HA LEU A 33 91.232 63.385 68.946 1.00 14.41 H new ATOM 0 HB2 LEU A 33 88.954 63.128 68.524 1.00 10.68 H new ATOM 0 HB3 LEU A 33 89.244 62.538 67.110 1.00 10.68 H new ATOM 0 HG LEU A 33 90.319 60.710 68.583 1.00 7.15 H new ATOM 0 HD11 LEU A 33 88.889 60.314 70.402 1.00 6.87 H new ATOM 0 HD12 LEU A 33 89.587 61.725 70.571 1.00 6.87 H new ATOM 0 HD13 LEU A 33 88.089 61.639 70.066 1.00 6.87 H new ATOM 0 HD21 LEU A 33 88.422 59.431 68.100 1.00 6.38 H new ATOM 0 HD22 LEU A 33 87.619 60.749 67.746 1.00 6.38 H new ATOM 0 HD23 LEU A 33 88.826 60.288 66.831 1.00 6.38 H new ATOM 255 N ALA A 34 93.147 62.203 68.011 1.00 24.31 N ATOM 256 CA ALA A 34 94.189 61.282 67.575 1.00 21.85 C ATOM 257 C ALA A 34 94.107 60.126 68.566 1.00 20.40 C ATOM 258 O ALA A 34 94.693 60.182 69.652 1.00 16.00 O ATOM 259 CB ALA A 34 95.587 61.955 67.617 1.00 7.42 C ATOM 0 H ALA A 34 93.378 62.716 68.661 1.00 24.31 H new ATOM 0 HA ALA A 34 94.065 60.993 66.657 1.00 21.85 H new ATOM 0 HB1 ALA A 34 96.260 61.322 67.323 1.00 7.42 H new ATOM 0 HB2 ALA A 34 95.592 62.728 67.031 1.00 7.42 H new ATOM 0 HB3 ALA A 34 95.784 62.237 68.524 1.00 7.42 H new ATOM 260 N GLY A 35 93.268 59.144 68.237 1.00 22.31 N ATOM 261 CA GLY A 35 93.111 57.968 69.082 1.00 21.05 C ATOM 262 C GLY A 35 92.176 58.082 70.276 1.00 13.38 C ATOM 263 O GLY A 35 92.164 59.091 70.986 1.00 16.02 O ATOM 0 H GLY A 35 92.782 59.142 67.528 1.00 22.31 H new ATOM 0 HA2 GLY A 35 92.798 57.239 68.525 1.00 21.05 H new ATOM 0 HA3 GLY A 35 93.988 57.717 69.411 1.00 21.05 H new ATOM 264 N ALA A 36 91.426 57.016 70.525 1.00 6.46 N ATOM 265 CA ALA A 36 90.485 56.990 71.632 1.00 5.19 C ATOM 266 C ALA A 36 89.811 55.635 71.778 1.00 7.56 C ATOM 267 O ALA A 36 89.376 55.062 70.786 1.00 5.49 O ATOM 268 CB ALA A 36 89.448 58.047 71.432 1.00 12.58 C ATOM 0 H ALA A 36 91.449 56.293 70.060 1.00 6.46 H new ATOM 0 HA ALA A 36 90.984 57.159 72.447 1.00 5.19 H new ATOM 0 HB1 ALA A 36 88.820 58.029 72.171 1.00 12.58 H new ATOM 0 HB2 ALA A 36 89.876 58.917 71.393 1.00 12.58 H new ATOM 0 HB3 ALA A 36 88.974 57.882 70.602 1.00 12.58 H new ATOM 269 N LYS A 37 89.749 55.122 73.012 1.00 9.17 N ATOM 270 CA LYS A 37 89.099 53.842 73.301 1.00 10.25 C ATOM 271 C LYS A 37 88.543 53.718 74.717 1.00 18.03 C ATOM 272 O LYS A 37 88.506 54.700 75.464 1.00 23.79 O ATOM 273 CB LYS A 37 90.010 52.659 72.982 1.00 14.96 C ATOM 274 CG LYS A 37 91.462 52.826 73.369 1.00 22.62 C ATOM 275 CD LYS A 37 92.252 53.438 72.224 1.00 22.02 C ATOM 276 CE LYS A 37 93.705 53.567 72.578 1.00 21.00 C ATOM 277 NZ LYS A 37 93.871 54.227 73.890 1.00 21.83 N ATOM 0 H LYS A 37 90.083 55.508 73.704 1.00 9.17 H new ATOM 0 HA LYS A 37 88.331 53.822 72.709 1.00 10.25 H new ATOM 0 HB2 LYS A 37 89.661 51.873 73.431 1.00 14.96 H new ATOM 0 HB3 LYS A 37 89.964 52.485 72.029 1.00 14.96 H new ATOM 0 HG2 LYS A 37 91.530 53.391 74.154 1.00 22.62 H new ATOM 0 HG3 LYS A 37 91.840 51.965 73.606 1.00 22.62 H new ATOM 0 HD2 LYS A 37 92.157 52.887 71.431 1.00 22.02 H new ATOM 0 HD3 LYS A 37 91.890 54.312 72.008 1.00 22.02 H new ATOM 0 HE2 LYS A 37 94.116 52.689 72.599 1.00 21.00 H new ATOM 0 HE3 LYS A 37 94.164 54.079 71.894 1.00 21.00 H new ATOM 0 HZ1 LYS A 37 94.331 54.982 73.787 1.00 21.83 H new ATOM 0 HZ2 LYS A 37 93.071 54.412 74.233 1.00 21.83 H new ATOM 0 HZ3 LYS A 37 94.311 53.685 74.442 1.00 21.83 H new ATOM 278 N LEU A 38 88.129 52.507 75.094 1.00 20.10 N ATOM 279 CA LEU A 38 87.549 52.261 76.422 1.00 19.66 C ATOM 280 C LEU A 38 88.410 51.463 77.424 1.00 18.62 C ATOM 281 O LEU A 38 87.882 50.679 78.224 1.00 16.17 O ATOM 282 CB LEU A 38 86.178 51.582 76.272 1.00 13.73 C ATOM 283 CG LEU A 38 84.931 52.459 76.313 1.00 12.55 C ATOM 284 CD1 LEU A 38 83.710 51.596 76.502 1.00 15.72 C ATOM 285 CD2 LEU A 38 85.017 53.423 77.462 1.00 17.91 C ATOM 0 H LEU A 38 88.175 51.809 74.594 1.00 20.10 H new ATOM 0 HA LEU A 38 87.481 53.145 76.815 1.00 19.66 H new ATOM 0 HB2 LEU A 38 86.175 51.103 75.429 1.00 13.73 H new ATOM 0 HB3 LEU A 38 86.097 50.919 76.975 1.00 13.73 H new ATOM 0 HG LEU A 38 84.868 52.948 75.478 1.00 12.55 H new ATOM 0 HD11 LEU A 38 82.918 52.156 76.528 1.00 15.72 H new ATOM 0 HD12 LEU A 38 83.639 50.970 75.765 1.00 15.72 H new ATOM 0 HD13 LEU A 38 83.786 51.106 77.336 1.00 15.72 H new ATOM 0 HD21 LEU A 38 84.221 53.976 77.481 1.00 17.91 H new ATOM 0 HD22 LEU A 38 85.087 52.930 78.294 1.00 17.91 H new ATOM 0 HD23 LEU A 38 85.799 53.986 77.354 1.00 17.91 H new ATOM 286 N MET A 39 89.715 51.705 77.442 1.00 18.81 N ATOM 287 CA MET A 39 90.566 50.956 78.355 1.00 22.01 C ATOM 288 C MET A 39 90.469 51.280 79.844 1.00 23.75 C ATOM 289 O MET A 39 91.006 52.280 80.320 1.00 23.43 O ATOM 290 CB MET A 39 92.016 50.970 77.890 1.00 25.52 C ATOM 291 CG MET A 39 92.633 49.590 77.985 1.00 32.32 C ATOM 292 SD MET A 39 91.392 48.320 77.629 1.00 31.87 S ATOM 293 CE MET A 39 92.265 47.311 76.378 1.00 32.75 C ATOM 0 H MET A 39 90.119 52.282 76.948 1.00 18.81 H new ATOM 0 HA MET A 39 90.196 50.061 78.303 1.00 22.01 H new ATOM 0 HB2 MET A 39 92.062 51.286 76.974 1.00 25.52 H new ATOM 0 HB3 MET A 39 92.526 51.593 78.431 1.00 25.52 H new ATOM 0 HG2 MET A 39 93.370 49.515 77.359 1.00 32.32 H new ATOM 0 HG3 MET A 39 92.999 49.453 78.873 1.00 32.32 H new ATOM 0 HE1 MET A 39 91.694 46.579 76.097 1.00 32.75 H new ATOM 0 HE2 MET A 39 92.483 47.863 75.611 1.00 32.75 H new ATOM 0 HE3 MET A 39 93.082 46.955 76.762 1.00 32.75 H new ATOM 294 N VAL A 40 89.800 50.380 80.565 1.00 25.80 N ATOM 295 CA VAL A 40 89.591 50.458 82.015 1.00 24.20 C ATOM 296 C VAL A 40 90.915 50.668 82.765 1.00 21.07 C ATOM 297 O VAL A 40 92.002 50.394 82.238 1.00 14.38 O ATOM 298 CB VAL A 40 88.894 49.145 82.531 1.00 27.30 C ATOM 299 CG1 VAL A 40 88.687 49.174 84.052 1.00 13.25 C ATOM 300 CG2 VAL A 40 87.561 48.935 81.803 1.00 23.94 C ATOM 0 H VAL A 40 89.442 49.682 80.212 1.00 25.80 H new ATOM 0 HA VAL A 40 89.020 51.222 82.190 1.00 24.20 H new ATOM 0 HB VAL A 40 89.480 48.397 82.335 1.00 27.30 H new ATOM 0 HG11 VAL A 40 88.257 48.352 84.336 1.00 13.25 H new ATOM 0 HG12 VAL A 40 89.546 49.258 84.494 1.00 13.25 H new ATOM 0 HG13 VAL A 40 88.127 49.930 84.288 1.00 13.25 H new ATOM 0 HG21 VAL A 40 87.139 48.124 82.127 1.00 23.94 H new ATOM 0 HG22 VAL A 40 86.978 49.692 81.971 1.00 23.94 H new ATOM 0 HG23 VAL A 40 87.722 48.856 80.850 1.00 23.94 H new ATOM 301 N ILE A 41 90.814 51.134 84.005 1.00 20.40 N ATOM 302 CA ILE A 41 91.996 51.398 84.806 1.00 23.34 C ATOM 303 C ILE A 41 92.616 50.139 85.412 1.00 25.45 C ATOM 304 O ILE A 41 93.830 50.070 85.593 1.00 28.44 O ATOM 305 CB ILE A 41 91.703 52.422 85.909 1.00 24.82 C ATOM 306 CG1 ILE A 41 90.669 53.455 85.435 1.00 23.15 C ATOM 307 CG2 ILE A 41 92.961 53.174 86.224 1.00 26.46 C ATOM 308 CD1 ILE A 41 91.155 54.372 84.314 1.00 19.98 C ATOM 0 H ILE A 41 90.068 51.303 84.399 1.00 20.40 H new ATOM 0 HA ILE A 41 92.650 51.766 84.191 1.00 23.34 H new ATOM 0 HB ILE A 41 91.365 51.943 86.682 1.00 24.82 H new ATOM 0 HG12 ILE A 41 89.876 52.986 85.132 1.00 23.15 H new ATOM 0 HG13 ILE A 41 90.404 54.001 86.192 1.00 23.15 H new ATOM 0 HG21 ILE A 41 92.783 53.824 86.922 1.00 26.46 H new ATOM 0 HG22 ILE A 41 93.642 52.553 86.527 1.00 26.46 H new ATOM 0 HG23 ILE A 41 93.273 53.632 85.428 1.00 26.46 H new ATOM 0 HD11 ILE A 41 90.448 54.991 84.073 1.00 19.98 H new ATOM 0 HD12 ILE A 41 91.931 54.869 84.616 1.00 19.98 H new ATOM 0 HD13 ILE A 41 91.394 53.838 83.540 1.00 19.98 H new ATOM 309 N SER A 42 91.809 49.150 85.750 1.00 28.60 N ATOM 310 CA SER A 42 92.255 47.861 86.265 1.00 37.06 C ATOM 311 C SER A 42 93.210 48.039 87.441 1.00 41.35 C ATOM 312 O SER A 42 94.185 47.238 87.552 1.00 42.00 O ATOM 313 CB SER A 42 92.920 47.043 85.156 1.00 20.00 C ATOM 314 OG SER A 42 94.092 47.683 84.682 1.00 20.00 O ATOM 0 H SER A 42 90.954 49.209 85.685 1.00 28.60 H new ATOM 0 HA SER A 42 91.475 47.379 86.582 1.00 37.06 H new ATOM 0 HB2 SER A 42 93.143 46.160 85.491 1.00 20.00 H new ATOM 0 HB3 SER A 42 92.297 46.919 84.423 1.00 20.00 H new ATOM 0 HG SER A 42 94.255 48.357 85.156 1.00 20.00 H new ATOM 315 N LYS A 43 92.955 48.962 88.346 1.00 43.97 N ATOM 316 CA LYS A 43 93.772 49.216 89.536 1.00 44.19 C ATOM 317 C LYS A 43 95.220 49.615 89.226 1.00 44.30 C ATOM 318 O LYS A 43 95.595 50.776 89.405 1.00 42.25 O ATOM 319 CB LYS A 43 93.733 48.023 90.503 1.00 47.23 C ATOM 320 CG LYS A 43 92.337 47.703 91.034 1.00 50.28 C ATOM 321 CD LYS A 43 92.315 46.440 91.900 1.00 54.83 C ATOM 322 CE LYS A 43 93.012 46.645 93.245 1.00 55.45 C ATOM 323 NZ LYS A 43 92.930 45.442 94.126 1.00 53.86 N ATOM 0 H LYS A 43 92.274 49.485 88.290 1.00 43.97 H new ATOM 0 HA LYS A 43 93.368 49.986 89.966 1.00 44.19 H new ATOM 0 HB2 LYS A 43 94.085 47.240 90.051 1.00 47.23 H new ATOM 0 HB3 LYS A 43 94.321 48.206 91.253 1.00 47.23 H new ATOM 0 HG2 LYS A 43 92.012 48.454 91.554 1.00 50.28 H new ATOM 0 HG3 LYS A 43 91.728 47.590 90.287 1.00 50.28 H new ATOM 0 HD2 LYS A 43 91.396 46.171 92.052 1.00 54.83 H new ATOM 0 HD3 LYS A 43 92.747 45.715 91.422 1.00 54.83 H new ATOM 0 HE2 LYS A 43 93.944 46.866 93.092 1.00 55.45 H new ATOM 0 HE3 LYS A 43 92.612 47.402 93.700 1.00 55.45 H new ATOM 0 HZ1 LYS A 43 93.348 45.607 94.894 1.00 53.86 H new ATOM 0 HZ2 LYS A 43 92.076 45.250 94.288 1.00 53.86 H new ATOM 0 HZ3 LYS A 43 93.317 44.750 93.721 1.00 53.86 H new ATOM 324 N ASP A 44 96.026 48.668 88.746 1.00 40.13 N ATOM 325 CA ASP A 44 97.425 48.951 88.436 1.00 39.48 C ATOM 326 C ASP A 44 97.615 50.213 87.614 1.00 38.13 C ATOM 327 O ASP A 44 98.435 51.065 87.959 1.00 33.51 O ATOM 328 CB ASP A 44 98.093 47.758 87.751 1.00 32.89 C ATOM 329 CG ASP A 44 98.313 46.596 88.699 1.00 34.41 C ATOM 330 OD1 ASP A 44 97.798 45.500 88.402 1.00 43.27 O ATOM 331 OD2 ASP A 44 98.984 46.776 89.743 1.00 23.37 O ATOM 0 H ASP A 44 95.782 47.858 88.593 1.00 40.13 H new ATOM 0 HA ASP A 44 97.859 49.107 89.289 1.00 39.48 H new ATOM 0 HB2 ASP A 44 97.543 47.466 87.007 1.00 32.89 H new ATOM 0 HB3 ASP A 44 98.945 48.036 87.381 1.00 32.89 H new ATOM 332 N GLY A 45 96.828 50.346 86.551 1.00 42.01 N ATOM 333 CA GLY A 45 96.919 51.524 85.704 1.00 46.64 C ATOM 334 C GLY A 45 96.579 52.786 86.476 1.00 46.73 C ATOM 335 O GLY A 45 97.091 53.868 86.165 1.00 46.16 O ATOM 0 H GLY A 45 96.239 49.769 86.306 1.00 42.01 H new ATOM 0 HA2 GLY A 45 97.816 51.596 85.342 1.00 46.64 H new ATOM 0 HA3 GLY A 45 96.315 51.431 84.951 1.00 46.64 H new ATOM 336 N ALA A 46 95.729 52.629 87.496 1.00 43.53 N ATOM 337 CA ALA A 46 95.293 53.730 88.359 1.00 39.26 C ATOM 338 C ALA A 46 96.424 54.239 89.232 1.00 36.44 C ATOM 339 O ALA A 46 96.978 55.304 88.970 1.00 35.75 O ATOM 340 CB ALA A 46 94.129 53.283 89.246 1.00 41.29 C ATOM 0 H ALA A 46 95.386 51.869 87.708 1.00 43.53 H new ATOM 0 HA ALA A 46 95.004 54.453 87.781 1.00 39.26 H new ATOM 0 HB1 ALA A 46 93.851 54.021 89.811 1.00 41.29 H new ATOM 0 HB2 ALA A 46 93.385 53.005 88.689 1.00 41.29 H new ATOM 0 HB3 ALA A 46 94.412 52.540 89.801 1.00 41.29 H new ATOM 341 N ALA A 47 96.753 53.450 90.256 1.00 30.50 N ATOM 342 CA ALA A 47 97.801 53.750 91.231 1.00 20.11 C ATOM 343 C ALA A 47 98.974 54.535 90.679 1.00 16.77 C ATOM 344 O ALA A 47 99.492 55.420 91.355 1.00 15.00 O ATOM 345 CB ALA A 47 98.295 52.455 91.883 1.00 12.40 C ATOM 0 H ALA A 47 96.359 52.701 90.406 1.00 30.50 H new ATOM 0 HA ALA A 47 97.388 54.330 91.890 1.00 20.11 H new ATOM 0 HB1 ALA A 47 98.989 52.662 92.528 1.00 12.40 H new ATOM 0 HB2 ALA A 47 97.556 52.017 92.333 1.00 12.40 H new ATOM 0 HB3 ALA A 47 98.653 51.865 91.201 1.00 12.40 H new ATOM 346 N ALA A 48 99.392 54.179 89.469 1.00 18.83 N ATOM 347 CA ALA A 48 100.522 54.860 88.820 1.00 22.20 C ATOM 348 C ALA A 48 100.101 56.265 88.379 1.00 29.84 C ATOM 349 O ALA A 48 100.743 57.254 88.749 1.00 25.76 O ATOM 350 CB ALA A 48 100.979 54.062 87.598 1.00 20.00 C ATOM 0 H ALA A 48 99.040 53.548 89.003 1.00 18.83 H new ATOM 0 HA ALA A 48 101.253 54.926 89.454 1.00 22.20 H new ATOM 0 HB1 ALA A 48 101.724 54.516 87.175 1.00 20.00 H new ATOM 0 HB2 ALA A 48 101.257 53.175 87.876 1.00 20.00 H new ATOM 0 HB3 ALA A 48 100.246 53.988 86.967 1.00 20.00 H new ATOM 351 N HIS A 49 99.013 56.315 87.614 1.00 31.14 N ATOM 352 CA HIS A 49 98.470 57.579 87.126 1.00 29.23 C ATOM 353 C HIS A 49 98.195 58.543 88.276 1.00 23.16 C ATOM 354 O HIS A 49 98.499 59.728 88.174 1.00 23.74 O ATOM 355 CB HIS A 49 97.178 57.343 86.342 1.00 34.29 C ATOM 356 CG HIS A 49 96.580 58.596 85.783 1.00 36.83 C ATOM 357 ND1 HIS A 49 97.322 59.530 85.092 1.00 35.52 N ATOM 358 CD2 HIS A 49 95.318 59.082 85.833 1.00 40.02 C ATOM 359 CE1 HIS A 49 96.545 60.538 84.743 1.00 36.96 C ATOM 360 NE2 HIS A 49 95.324 60.290 85.178 1.00 43.44 N ATOM 0 H HIS A 49 98.571 55.621 87.365 1.00 31.14 H new ATOM 0 HA HIS A 49 99.135 57.974 86.540 1.00 29.23 H new ATOM 0 HB2 HIS A 49 97.358 56.727 85.615 1.00 34.29 H new ATOM 0 HB3 HIS A 49 96.530 56.915 86.923 1.00 34.29 H new ATOM 0 HD1 HIS A 49 98.161 59.466 84.916 1.00 35.52 H new ATOM 0 HD2 HIS A 49 94.585 58.675 86.235 1.00 40.02 H new ATOM 0 HE1 HIS A 49 96.812 61.294 84.271 1.00 36.96 H new ATOM 361 N TYR A 50 97.610 58.027 89.356 1.00 20.52 N ATOM 362 CA TYR A 50 97.291 58.826 90.538 1.00 26.20 C ATOM 363 C TYR A 50 98.416 58.748 91.563 1.00 30.84 C ATOM 364 O TYR A 50 98.240 59.166 92.718 1.00 28.91 O ATOM 365 CB TYR A 50 96.011 58.326 91.206 1.00 24.17 C ATOM 366 CG TYR A 50 94.740 58.523 90.424 1.00 27.96 C ATOM 367 CD1 TYR A 50 93.842 59.532 90.767 1.00 29.77 C ATOM 368 CD2 TYR A 50 94.403 57.666 89.374 1.00 35.91 C ATOM 369 CE1 TYR A 50 92.631 59.681 90.084 1.00 38.68 C ATOM 370 CE2 TYR A 50 93.193 57.805 88.681 1.00 38.71 C ATOM 371 CZ TYR A 50 92.315 58.813 89.040 1.00 39.23 C ATOM 372 OH TYR A 50 91.132 58.960 88.350 1.00 40.38 O ATOM 0 H TYR A 50 97.386 57.199 89.424 1.00 20.52 H new ATOM 0 HA TYR A 50 97.174 59.742 90.240 1.00 26.20 H new ATOM 0 HB2 TYR A 50 96.112 57.379 91.392 1.00 24.17 H new ATOM 0 HB3 TYR A 50 95.917 58.774 92.061 1.00 24.17 H new ATOM 0 HD1 TYR A 50 94.051 60.115 91.461 1.00 29.77 H new ATOM 0 HD2 TYR A 50 94.993 56.990 89.130 1.00 35.91 H new ATOM 0 HE1 TYR A 50 92.039 60.356 90.325 1.00 38.68 H new ATOM 0 HE2 TYR A 50 92.982 57.225 87.986 1.00 38.71 H new ATOM 0 HH TYR A 50 91.080 58.371 87.754 1.00 40.38 H new ATOM 373 N ALA A 51 99.547 58.175 91.144 1.00 34.53 N ATOM 374 CA ALA A 51 100.737 58.000 91.989 1.00 39.16 C ATOM 375 C ALA A 51 101.015 59.178 92.914 1.00 38.29 C ATOM 376 O ALA A 51 101.311 58.999 94.101 1.00 38.26 O ATOM 0 H ALA A 51 99.648 57.871 90.346 1.00 34.53 H new ATOM 377 N GLU A 52 100.891 60.381 92.364 1.00 38.99 N ATOM 378 CA GLU A 52 101.105 61.598 93.129 1.00 36.71 C ATOM 379 C GLU A 52 100.163 61.654 94.328 1.00 32.16 C ATOM 380 O GLU A 52 98.952 61.465 94.205 1.00 26.85 O ATOM 381 CB GLU A 52 100.941 62.821 92.220 1.00 39.49 C ATOM 382 CG GLU A 52 101.952 62.843 91.074 1.00 35.84 C ATOM 383 CD GLU A 52 103.389 62.687 91.561 1.00 31.43 C ATOM 384 OE1 GLU A 52 104.031 63.720 91.841 1.00 33.01 O ATOM 385 OE2 GLU A 52 103.874 61.537 91.670 1.00 25.69 O ATOM 0 H GLU A 52 100.681 60.512 91.540 1.00 38.99 H new ATOM 0 HA GLU A 52 102.011 61.601 93.476 1.00 36.71 H new ATOM 0 HB2 GLU A 52 100.043 62.829 91.854 1.00 39.49 H new ATOM 0 HB3 GLU A 52 101.039 63.628 92.749 1.00 39.49 H new ATOM 0 HG2 GLU A 52 101.745 62.129 90.451 1.00 35.84 H new ATOM 0 HG3 GLU A 52 101.867 63.678 90.588 1.00 35.84 H new ATOM 386 N LEU A 53 100.758 61.837 95.499 1.00 34.27 N ATOM 387 CA LEU A 53 100.027 61.899 96.763 1.00 37.97 C ATOM 388 C LEU A 53 99.225 60.618 97.025 1.00 38.49 C ATOM 389 O LEU A 53 97.994 60.645 97.112 1.00 38.50 O ATOM 390 CB LEU A 53 99.126 63.147 96.829 1.00 34.22 C ATOM 391 CG LEU A 53 99.118 63.893 98.175 1.00 31.11 C ATOM 392 CD1 LEU A 53 99.505 65.348 97.958 1.00 29.52 C ATOM 393 CD2 LEU A 53 97.765 63.795 98.873 1.00 22.16 C ATOM 0 H LEU A 53 101.609 61.930 95.586 1.00 34.27 H new ATOM 0 HA LEU A 53 100.687 61.972 97.470 1.00 37.97 H new ATOM 0 HB2 LEU A 53 99.407 63.766 96.137 1.00 34.22 H new ATOM 0 HB3 LEU A 53 98.217 62.881 96.620 1.00 34.22 H new ATOM 0 HG LEU A 53 99.769 63.470 98.756 1.00 31.11 H new ATOM 0 HD11 LEU A 53 99.499 65.815 98.808 1.00 29.52 H new ATOM 0 HD12 LEU A 53 100.394 65.393 97.572 1.00 29.52 H new ATOM 0 HD13 LEU A 53 98.870 65.766 97.356 1.00 29.52 H new ATOM 0 HD21 LEU A 53 97.799 64.276 99.715 1.00 22.16 H new ATOM 0 HD22 LEU A 53 97.080 64.184 98.307 1.00 22.16 H new ATOM 0 HD23 LEU A 53 97.554 62.863 99.042 1.00 22.16 H new ATOM 394 N GLY A 54 99.936 59.491 97.073 1.00 36.99 N ATOM 395 CA GLY A 54 99.306 58.212 97.357 1.00 35.42 C ATOM 396 C GLY A 54 99.097 58.102 98.860 1.00 39.06 C ATOM 397 O GLY A 54 98.265 57.323 99.339 1.00 32.96 O ATOM 0 H GLY A 54 100.785 59.450 96.943 1.00 36.99 H new ATOM 0 HA2 GLY A 54 98.457 58.143 96.892 1.00 35.42 H new ATOM 0 HA3 GLY A 54 99.863 57.484 97.040 1.00 35.42 H new ATOM 398 N GLY A 55 99.864 58.907 99.599 1.00 42.81 N ATOM 399 CA GLY A 55 99.783 58.932 101.049 1.00 43.14 C ATOM 400 C GLY A 55 98.602 59.745 101.544 1.00 44.78 C ATOM 401 O GLY A 55 98.328 59.783 102.746 1.00 40.20 O ATOM 0 H GLY A 55 100.443 59.451 99.269 1.00 42.81 H new ATOM 0 HA2 GLY A 55 99.711 58.024 101.383 1.00 43.14 H new ATOM 0 HA3 GLY A 55 100.603 59.303 101.411 1.00 43.14 H new ATOM 402 N GLY A 56 97.933 60.435 100.620 1.00 48.02 N ATOM 403 CA GLY A 56 96.767 61.227 100.973 1.00 46.32 C ATOM 404 C GLY A 56 95.534 60.343 101.061 1.00 45.30 C ATOM 405 O GLY A 56 95.285 59.543 100.156 1.00 43.57 O ATOM 0 H GLY A 56 98.141 60.455 99.786 1.00 48.02 H new ATOM 0 HA2 GLY A 56 96.915 61.671 101.823 1.00 46.32 H new ATOM 0 HA3 GLY A 56 96.628 61.922 100.310 1.00 46.32 H new ATOM 406 N PRO A 57 94.717 60.497 102.116 1.00 44.23 N ATOM 407 CA PRO A 57 93.488 59.730 102.368 1.00 45.60 C ATOM 408 C PRO A 57 92.544 59.557 101.185 1.00 49.51 C ATOM 409 O PRO A 57 91.853 58.542 101.101 1.00 48.63 O ATOM 410 CB PRO A 57 92.814 60.517 103.490 1.00 41.59 C ATOM 411 CG PRO A 57 93.343 61.906 103.301 1.00 43.52 C ATOM 412 CD PRO A 57 94.796 61.642 103.034 1.00 42.41 C ATOM 0 HA PRO A 57 93.712 58.811 102.580 1.00 45.60 H new ATOM 0 HB2 PRO A 57 91.847 60.489 103.416 1.00 41.59 H new ATOM 0 HB3 PRO A 57 93.043 60.162 104.363 1.00 41.59 H new ATOM 0 HG2 PRO A 57 92.913 62.362 102.561 1.00 43.52 H new ATOM 0 HG3 PRO A 57 93.211 62.457 104.089 1.00 43.52 H new ATOM 0 HD2 PRO A 57 95.238 62.405 102.630 1.00 42.41 H new ATOM 0 HD3 PRO A 57 95.284 61.428 103.845 1.00 42.41 H new ATOM 413 N PHE A 58 92.513 60.534 100.274 1.00 55.60 N ATOM 414 CA PHE A 58 91.626 60.462 99.108 1.00 54.44 C ATOM 415 C PHE A 58 91.837 59.226 98.245 1.00 51.52 C ATOM 416 O PHE A 58 90.865 58.630 97.774 1.00 51.61 O ATOM 417 CB PHE A 58 91.649 61.757 98.264 1.00 54.83 C ATOM 418 CG PHE A 58 92.990 62.113 97.664 1.00 56.85 C ATOM 419 CD1 PHE A 58 94.150 61.426 97.993 1.00 56.92 C ATOM 420 CD2 PHE A 58 93.077 63.162 96.747 1.00 61.60 C ATOM 421 CE1 PHE A 58 95.376 61.771 97.419 1.00 63.31 C ATOM 422 CE2 PHE A 58 94.298 63.522 96.164 1.00 60.92 C ATOM 423 CZ PHE A 58 95.450 62.824 96.500 1.00 62.49 C ATOM 0 H PHE A 58 92.996 61.245 100.312 1.00 55.60 H new ATOM 0 HA PHE A 58 90.735 60.374 99.482 1.00 54.44 H new ATOM 0 HB2 PHE A 58 91.003 61.669 97.546 1.00 54.83 H new ATOM 0 HB3 PHE A 58 91.355 62.494 98.822 1.00 54.83 H new ATOM 0 HD1 PHE A 58 94.111 60.726 98.604 1.00 56.92 H new ATOM 0 HD2 PHE A 58 92.308 63.632 96.518 1.00 61.60 H new ATOM 0 HE1 PHE A 58 96.145 61.300 97.648 1.00 63.31 H new ATOM 0 HE2 PHE A 58 94.337 64.224 95.556 1.00 60.92 H new ATOM 0 HZ PHE A 58 96.265 63.055 96.117 1.00 62.49 H new ATOM 424 N PHE A 59 93.099 58.800 98.138 1.00 48.62 N ATOM 425 CA PHE A 59 93.506 57.622 97.366 1.00 40.01 C ATOM 426 C PHE A 59 92.572 56.489 97.757 1.00 36.31 C ATOM 427 O PHE A 59 92.146 55.695 96.918 1.00 32.63 O ATOM 428 CB PHE A 59 94.954 57.259 97.708 1.00 34.37 C ATOM 429 CG PHE A 59 95.573 56.276 96.766 1.00 37.69 C ATOM 430 CD1 PHE A 59 96.237 56.716 95.620 1.00 39.06 C ATOM 431 CD2 PHE A 59 95.512 54.906 97.026 1.00 37.18 C ATOM 432 CE1 PHE A 59 96.833 55.805 94.745 1.00 33.55 C ATOM 433 CE2 PHE A 59 96.103 53.986 96.160 1.00 34.35 C ATOM 434 CZ PHE A 59 96.765 54.437 95.018 1.00 34.16 C ATOM 0 H PHE A 59 93.758 59.198 98.522 1.00 48.62 H new ATOM 0 HA PHE A 59 93.456 57.792 96.412 1.00 40.01 H new ATOM 0 HB2 PHE A 59 95.488 58.069 97.713 1.00 34.37 H new ATOM 0 HB3 PHE A 59 94.983 56.894 98.606 1.00 34.37 H new ATOM 0 HD1 PHE A 59 96.283 57.627 95.437 1.00 39.06 H new ATOM 0 HD2 PHE A 59 95.071 54.603 97.787 1.00 37.18 H new ATOM 0 HE1 PHE A 59 97.273 56.108 93.984 1.00 33.55 H new ATOM 0 HE2 PHE A 59 96.056 53.075 96.343 1.00 34.35 H new ATOM 0 HZ PHE A 59 97.161 53.827 94.439 1.00 34.16 H new ATOM 435 N GLY A 60 92.255 56.442 99.049 1.00 37.07 N ATOM 436 CA GLY A 60 91.332 55.451 99.562 1.00 36.63 C ATOM 437 C GLY A 60 89.968 56.039 99.282 1.00 37.45 C ATOM 438 O GLY A 60 89.476 56.876 100.041 1.00 37.52 O ATOM 0 H GLY A 60 92.568 56.980 99.642 1.00 37.07 H new ATOM 0 HA2 GLY A 60 91.447 54.596 99.119 1.00 36.63 H new ATOM 0 HA3 GLY A 60 91.465 55.299 100.511 1.00 36.63 H new ATOM 439 N GLY A 61 89.396 55.651 98.147 1.00 37.60 N ATOM 440 CA GLY A 61 88.099 56.167 97.751 1.00 33.77 C ATOM 441 C GLY A 61 88.192 56.876 96.412 1.00 30.53 C ATOM 442 O GLY A 61 87.171 57.145 95.774 1.00 27.34 O ATOM 0 H GLY A 61 89.744 55.091 97.595 1.00 37.60 H new ATOM 0 HA2 GLY A 61 87.460 55.440 97.694 1.00 33.77 H new ATOM 0 HA3 GLY A 61 87.770 56.781 98.426 1.00 33.77 H new ATOM 443 N LEU A 62 89.426 57.146 95.987 1.00 27.75 N ATOM 444 CA LEU A 62 89.725 57.823 94.726 1.00 27.13 C ATOM 445 C LEU A 62 90.076 56.772 93.677 1.00 27.56 C ATOM 446 O LEU A 62 89.624 56.838 92.533 1.00 28.18 O ATOM 447 CB LEU A 62 90.910 58.777 94.920 1.00 25.44 C ATOM 448 CG LEU A 62 91.358 59.747 93.827 1.00 29.05 C ATOM 449 CD1 LEU A 62 90.347 60.878 93.685 1.00 24.96 C ATOM 450 CD2 LEU A 62 92.727 60.315 94.189 1.00 28.18 C ATOM 0 H LEU A 62 90.129 56.935 96.435 1.00 27.75 H new ATOM 0 HA LEU A 62 88.954 58.335 94.435 1.00 27.13 H new ATOM 0 HB2 LEU A 62 90.712 59.312 95.705 1.00 25.44 H new ATOM 0 HB3 LEU A 62 91.679 58.227 95.138 1.00 25.44 H new ATOM 0 HG LEU A 62 91.416 59.275 92.982 1.00 29.05 H new ATOM 0 HD11 LEU A 62 90.639 61.488 92.990 1.00 24.96 H new ATOM 0 HD12 LEU A 62 89.481 60.510 93.449 1.00 24.96 H new ATOM 0 HD13 LEU A 62 90.276 61.357 94.526 1.00 24.96 H new ATOM 0 HD21 LEU A 62 93.015 60.931 93.498 1.00 28.18 H new ATOM 0 HD22 LEU A 62 92.669 60.784 95.036 1.00 28.18 H new ATOM 0 HD23 LEU A 62 93.368 59.591 94.264 1.00 28.18 H new ATOM 451 N VAL A 63 90.911 55.816 94.077 1.00 30.89 N ATOM 452 CA VAL A 63 91.326 54.727 93.195 1.00 29.54 C ATOM 453 C VAL A 63 90.173 53.736 93.112 1.00 31.51 C ATOM 454 O VAL A 63 90.125 52.892 92.212 1.00 33.96 O ATOM 455 CB VAL A 63 92.622 54.035 93.708 1.00 28.25 C ATOM 456 CG1 VAL A 63 92.995 52.836 92.825 1.00 21.94 C ATOM 457 CG2 VAL A 63 93.766 55.045 93.721 1.00 13.96 C ATOM 0 H VAL A 63 91.252 55.780 94.866 1.00 30.89 H new ATOM 0 HA VAL A 63 91.535 55.078 92.315 1.00 29.54 H new ATOM 0 HB VAL A 63 92.462 53.709 94.607 1.00 28.25 H new ATOM 0 HG11 VAL A 63 93.804 52.423 93.165 1.00 21.94 H new ATOM 0 HG12 VAL A 63 92.273 52.189 92.836 1.00 21.94 H new ATOM 0 HG13 VAL A 63 93.144 53.138 91.915 1.00 21.94 H new ATOM 0 HG21 VAL A 63 94.574 54.615 94.041 1.00 13.96 H new ATOM 0 HG22 VAL A 63 93.912 55.380 92.823 1.00 13.96 H new ATOM 0 HG23 VAL A 63 93.540 55.783 94.308 1.00 13.96 H new ATOM 458 N GLY A 64 89.241 53.856 94.055 1.00 31.21 N ATOM 459 CA GLY A 64 88.076 52.996 94.054 1.00 30.88 C ATOM 460 C GLY A 64 87.161 53.429 92.926 1.00 31.80 C ATOM 461 O GLY A 64 86.613 52.598 92.196 1.00 34.85 O ATOM 0 H GLY A 64 89.269 54.427 94.698 1.00 31.21 H new ATOM 0 HA2 GLY A 64 88.340 52.070 93.937 1.00 30.88 H new ATOM 0 HA3 GLY A 64 87.613 53.054 94.905 1.00 30.88 H new ATOM 462 N GLY A 65 87.072 54.743 92.737 1.00 33.08 N ATOM 463 CA GLY A 65 86.221 55.312 91.706 1.00 36.61 C ATOM 464 C GLY A 65 86.560 55.007 90.256 1.00 36.67 C ATOM 465 O GLY A 65 85.758 54.383 89.554 1.00 36.92 O ATOM 0 H GLY A 65 87.502 55.324 93.202 1.00 33.08 H new ATOM 0 HA2 GLY A 65 85.314 55.011 91.869 1.00 36.61 H new ATOM 0 HA3 GLY A 65 86.224 56.276 91.816 1.00 36.61 H new ATOM 466 N ALA A 66 87.732 55.449 89.800 1.00 33.72 N ATOM 467 CA ALA A 66 88.144 55.239 88.411 1.00 36.03 C ATOM 468 C ALA A 66 88.045 53.786 87.940 1.00 35.43 C ATOM 469 O ALA A 66 87.706 53.511 86.787 1.00 37.45 O ATOM 470 CB ALA A 66 89.562 55.762 88.197 1.00 32.02 C ATOM 0 H ALA A 66 88.305 55.874 90.280 1.00 33.72 H new ATOM 0 HA ALA A 66 87.514 55.740 87.870 1.00 36.03 H new ATOM 0 HB1 ALA A 66 89.824 55.618 87.274 1.00 32.02 H new ATOM 0 HB2 ALA A 66 89.591 56.711 88.396 1.00 32.02 H new ATOM 0 HB3 ALA A 66 90.173 55.290 88.784 1.00 32.02 H new ATOM 471 N THR A 67 88.290 52.867 88.864 1.00 35.07 N ATOM 472 CA THR A 67 88.286 51.435 88.589 1.00 30.31 C ATOM 473 C THR A 67 86.926 50.733 88.441 1.00 35.00 C ATOM 474 O THR A 67 86.864 49.573 88.030 1.00 35.35 O ATOM 475 CB THR A 67 89.133 50.719 89.650 1.00 22.60 C ATOM 476 OG1 THR A 67 88.739 51.174 90.954 1.00 2.55 O ATOM 477 CG2 THR A 67 90.596 51.055 89.446 1.00 17.66 C ATOM 0 H THR A 67 88.466 53.060 89.683 1.00 35.07 H new ATOM 0 HA THR A 67 88.661 51.368 87.697 1.00 30.31 H new ATOM 0 HB THR A 67 89.000 49.761 89.572 1.00 22.60 H new ATOM 0 HG1 THR A 67 89.337 51.673 91.269 1.00 2.55 H new ATOM 0 HG21 THR A 67 91.129 50.601 90.118 1.00 17.66 H new ATOM 0 HG22 THR A 67 90.875 50.766 88.563 1.00 17.66 H new ATOM 0 HG23 THR A 67 90.722 52.013 89.527 1.00 17.66 H new ATOM 478 N SER A 68 85.841 51.416 88.786 1.00 35.48 N ATOM 479 CA SER A 68 84.524 50.811 88.663 1.00 34.86 C ATOM 480 C SER A 68 84.198 50.622 87.176 1.00 35.44 C ATOM 481 O SER A 68 84.665 49.657 86.562 1.00 39.02 O ATOM 482 CB SER A 68 83.467 51.665 89.377 1.00 36.32 C ATOM 483 OG SER A 68 83.480 53.008 88.914 1.00 40.40 O ATOM 0 H SER A 68 85.845 52.221 89.090 1.00 35.48 H new ATOM 0 HA SER A 68 84.520 49.941 89.093 1.00 34.86 H new ATOM 0 HB2 SER A 68 82.588 51.281 89.233 1.00 36.32 H new ATOM 0 HB3 SER A 68 83.630 51.650 90.333 1.00 36.32 H new ATOM 0 HG SER A 68 84.161 53.400 89.210 1.00 40.40 H new ATOM 484 N GLY A 69 83.460 51.567 86.590 1.00 31.74 N ATOM 485 CA GLY A 69 83.090 51.479 85.185 1.00 25.16 C ATOM 486 C GLY A 69 84.225 51.792 84.225 1.00 21.04 C ATOM 487 O GLY A 69 85.312 52.172 84.661 1.00 23.47 O ATOM 0 H GLY A 69 83.165 52.267 86.993 1.00 31.74 H new ATOM 0 HA2 GLY A 69 82.762 50.585 85.002 1.00 25.16 H new ATOM 0 HA3 GLY A 69 82.357 52.091 85.014 1.00 25.16 H new ATOM 488 N PRO A 70 84.017 51.609 82.908 1.00 17.06 N ATOM 489 CA PRO A 70 85.050 51.884 81.898 1.00 13.84 C ATOM 490 C PRO A 70 85.577 53.336 81.903 1.00 19.61 C ATOM 491 O PRO A 70 85.264 54.135 82.800 1.00 25.00 O ATOM 492 CB PRO A 70 84.353 51.515 80.583 1.00 2.25 C ATOM 493 CG PRO A 70 82.888 51.653 80.909 1.00 5.98 C ATOM 494 CD PRO A 70 82.797 51.076 82.279 1.00 6.29 C ATOM 0 HA PRO A 70 85.859 51.376 82.064 1.00 13.84 H new ATOM 0 HB2 PRO A 70 84.615 52.108 79.861 1.00 2.25 H new ATOM 0 HB3 PRO A 70 84.573 50.613 80.303 1.00 2.25 H new ATOM 0 HG2 PRO A 70 82.601 52.579 80.889 1.00 5.98 H new ATOM 0 HG3 PRO A 70 82.332 51.170 80.278 1.00 5.98 H new ATOM 0 HD2 PRO A 70 81.994 51.361 82.742 1.00 6.29 H new ATOM 0 HD3 PRO A 70 82.788 50.106 82.266 1.00 6.29 H new ATOM 495 N VAL A 71 86.393 53.667 80.908 1.00 12.01 N ATOM 496 CA VAL A 71 86.989 54.992 80.811 1.00 4.78 C ATOM 497 C VAL A 71 87.345 55.258 79.354 1.00 8.13 C ATOM 498 O VAL A 71 88.219 54.593 78.782 1.00 6.41 O ATOM 499 CB VAL A 71 88.302 55.077 81.669 1.00 5.79 C ATOM 500 CG1 VAL A 71 89.093 56.326 81.336 1.00 6.11 C ATOM 501 CG2 VAL A 71 87.982 55.059 83.157 1.00 2.00 C ATOM 0 H VAL A 71 86.615 53.131 80.273 1.00 12.01 H new ATOM 0 HA VAL A 71 86.354 55.647 81.141 1.00 4.78 H new ATOM 0 HB VAL A 71 88.840 54.299 81.452 1.00 5.79 H new ATOM 0 HG11 VAL A 71 89.897 56.354 81.878 1.00 6.11 H new ATOM 0 HG12 VAL A 71 89.337 56.314 80.397 1.00 6.11 H new ATOM 0 HG13 VAL A 71 88.552 57.110 81.519 1.00 6.11 H new ATOM 0 HG21 VAL A 71 88.806 55.112 83.666 1.00 2.00 H new ATOM 0 HG22 VAL A 71 87.418 55.817 83.376 1.00 2.00 H new ATOM 0 HG23 VAL A 71 87.518 54.236 83.379 1.00 2.00 H new ATOM 502 N PHE A 72 86.651 56.212 78.745 1.00 8.46 N ATOM 503 CA PHE A 72 86.927 56.550 77.366 1.00 9.90 C ATOM 504 C PHE A 72 88.120 57.474 77.365 1.00 13.58 C ATOM 505 O PHE A 72 87.996 58.647 77.706 1.00 16.82 O ATOM 506 CB PHE A 72 85.722 57.234 76.729 1.00 11.13 C ATOM 507 CG PHE A 72 85.902 57.538 75.261 1.00 11.77 C ATOM 508 CD1 PHE A 72 85.756 56.530 74.305 1.00 8.50 C ATOM 509 CD2 PHE A 72 86.182 58.833 74.835 1.00 3.65 C ATOM 510 CE1 PHE A 72 85.884 56.808 72.948 1.00 12.71 C ATOM 511 CE2 PHE A 72 86.309 59.121 73.479 1.00 18.39 C ATOM 512 CZ PHE A 72 86.160 58.107 72.529 1.00 14.43 C ATOM 0 H PHE A 72 86.022 56.669 79.113 1.00 8.46 H new ATOM 0 HA PHE A 72 87.111 55.750 76.849 1.00 9.90 H new ATOM 0 HB2 PHE A 72 84.942 56.668 76.841 1.00 11.13 H new ATOM 0 HB3 PHE A 72 85.542 58.061 77.203 1.00 11.13 H new ATOM 0 HD1 PHE A 72 85.571 55.661 74.580 1.00 8.50 H new ATOM 0 HD2 PHE A 72 86.285 59.512 75.462 1.00 3.65 H new ATOM 0 HE1 PHE A 72 85.785 56.128 72.322 1.00 12.71 H new ATOM 0 HE2 PHE A 72 86.493 59.990 73.205 1.00 18.39 H new ATOM 0 HZ PHE A 72 86.245 58.298 71.623 1.00 14.43 H new ATOM 513 N ALA A 73 89.293 56.920 77.066 1.00 21.02 N ATOM 514 CA ALA A 73 90.534 57.703 77.028 1.00 18.06 C ATOM 515 C ALA A 73 90.698 58.312 75.642 1.00 15.90 C ATOM 516 O ALA A 73 90.211 57.752 74.650 1.00 14.26 O ATOM 517 CB ALA A 73 91.739 56.819 77.386 1.00 12.88 C ATOM 0 H ALA A 73 89.395 56.086 76.880 1.00 21.02 H new ATOM 0 HA ALA A 73 90.487 58.416 77.684 1.00 18.06 H new ATOM 0 HB1 ALA A 73 92.550 57.350 77.357 1.00 12.88 H new ATOM 0 HB2 ALA A 73 91.622 56.458 78.279 1.00 12.88 H new ATOM 0 HB3 ALA A 73 91.807 56.090 76.749 1.00 12.88 H new ATOM 518 N MET A 74 91.347 59.473 75.575 1.00 11.56 N ATOM 519 CA MET A 74 91.543 60.158 74.294 1.00 12.10 C ATOM 520 C MET A 74 92.842 60.954 74.277 1.00 12.24 C ATOM 521 O MET A 74 93.428 61.230 75.334 1.00 12.42 O ATOM 522 CB MET A 74 90.395 61.148 74.028 1.00 13.77 C ATOM 523 CG MET A 74 88.995 60.626 74.292 1.00 13.43 C ATOM 524 SD MET A 74 87.719 61.896 74.208 1.00 15.80 S ATOM 525 CE MET A 74 87.281 62.125 75.915 1.00 13.64 C ATOM 0 H MET A 74 91.681 59.881 76.255 1.00 11.56 H new ATOM 0 HA MET A 74 91.570 59.468 73.613 1.00 12.10 H new ATOM 0 HB2 MET A 74 90.537 61.935 74.576 1.00 13.77 H new ATOM 0 HB3 MET A 74 90.446 61.434 73.103 1.00 13.77 H new ATOM 0 HG2 MET A 74 88.791 59.931 73.647 1.00 13.43 H new ATOM 0 HG3 MET A 74 88.972 60.214 75.170 1.00 13.43 H new ATOM 0 HE1 MET A 74 86.325 61.999 76.024 1.00 13.64 H new ATOM 0 HE2 MET A 74 87.756 61.479 76.461 1.00 13.64 H new ATOM 0 HE3 MET A 74 87.522 63.022 76.194 1.00 13.64 H new ATOM 526 N VAL A 75 93.247 61.358 73.070 1.00 11.65 N ATOM 527 CA VAL A 75 94.450 62.170 72.832 1.00 9.40 C ATOM 528 C VAL A 75 94.028 63.220 71.786 1.00 13.36 C ATOM 529 O VAL A 75 93.565 62.855 70.694 1.00 14.16 O ATOM 530 CB VAL A 75 95.632 61.310 72.261 1.00 8.43 C ATOM 531 CG1 VAL A 75 96.879 62.187 72.017 1.00 2.28 C ATOM 532 CG2 VAL A 75 95.967 60.159 73.200 1.00 2.00 C ATOM 0 H VAL A 75 92.821 61.164 72.349 1.00 11.65 H new ATOM 0 HA VAL A 75 94.768 62.563 73.660 1.00 9.40 H new ATOM 0 HB VAL A 75 95.348 60.938 71.411 1.00 8.43 H new ATOM 0 HG11 VAL A 75 97.597 61.638 71.665 1.00 2.28 H new ATOM 0 HG12 VAL A 75 96.664 62.885 71.379 1.00 2.28 H new ATOM 0 HG13 VAL A 75 97.161 62.589 72.854 1.00 2.28 H new ATOM 0 HG21 VAL A 75 96.699 59.641 72.829 1.00 2.00 H new ATOM 0 HG22 VAL A 75 96.227 60.512 74.065 1.00 2.00 H new ATOM 0 HG23 VAL A 75 95.189 59.590 73.305 1.00 2.00 H new ATOM 533 N TRP A 76 94.152 64.508 72.120 1.00 8.76 N ATOM 534 CA TRP A 76 93.751 65.571 71.197 1.00 5.82 C ATOM 535 C TRP A 76 94.865 66.482 70.669 1.00 6.24 C ATOM 536 O TRP A 76 95.806 66.818 71.396 1.00 3.79 O ATOM 537 CB TRP A 76 92.626 66.390 71.811 1.00 4.58 C ATOM 538 CG TRP A 76 91.353 65.587 72.047 1.00 8.30 C ATOM 539 CD1 TRP A 76 91.098 64.756 73.090 1.00 2.16 C ATOM 540 CD2 TRP A 76 90.160 65.600 71.247 1.00 12.21 C ATOM 541 NE1 TRP A 76 89.823 64.264 73.005 1.00 7.94 N ATOM 542 CE2 TRP A 76 89.224 64.761 71.882 1.00 10.86 C ATOM 543 CE3 TRP A 76 89.791 66.242 70.054 1.00 17.83 C ATOM 544 CZ2 TRP A 76 87.938 64.538 71.366 1.00 16.03 C ATOM 545 CZ3 TRP A 76 88.507 66.018 69.538 1.00 16.81 C ATOM 546 CH2 TRP A 76 87.601 65.174 70.197 1.00 13.46 C ATOM 0 H TRP A 76 94.464 64.785 72.872 1.00 8.76 H new ATOM 0 HA TRP A 76 93.450 65.103 70.403 1.00 5.82 H new ATOM 0 HB2 TRP A 76 92.928 66.760 72.655 1.00 4.58 H new ATOM 0 HB3 TRP A 76 92.425 67.139 71.228 1.00 4.58 H new ATOM 0 HD1 TRP A 76 91.703 64.550 73.766 1.00 2.16 H new ATOM 0 HE1 TRP A 76 89.457 63.727 73.569 1.00 7.94 H new ATOM 0 HE3 TRP A 76 90.387 66.805 69.615 1.00 17.83 H new ATOM 0 HZ2 TRP A 76 87.335 63.979 71.801 1.00 16.03 H new ATOM 0 HZ3 TRP A 76 88.252 66.435 68.747 1.00 16.81 H new ATOM 0 HH2 TRP A 76 86.755 65.043 69.835 1.00 13.46 H new ATOM 547 N GLU A 77 94.731 66.888 69.401 1.00 5.88 N ATOM 548 CA GLU A 77 95.722 67.726 68.720 1.00 9.70 C ATOM 549 C GLU A 77 95.389 69.199 68.529 1.00 7.85 C ATOM 550 O GLU A 77 94.290 69.662 68.844 1.00 9.51 O ATOM 551 CB GLU A 77 96.060 67.148 67.344 1.00 18.73 C ATOM 552 CG GLU A 77 97.038 65.981 67.326 1.00 30.15 C ATOM 553 CD GLU A 77 97.489 65.645 65.909 1.00 37.32 C ATOM 554 OE1 GLU A 77 98.221 66.469 65.315 1.00 36.32 O ATOM 555 OE2 GLU A 77 97.100 64.574 65.385 1.00 38.46 O ATOM 0 H GLU A 77 94.056 66.682 68.910 1.00 5.88 H new ATOM 0 HA GLU A 77 96.468 67.706 69.340 1.00 9.70 H new ATOM 0 HB2 GLU A 77 95.235 66.860 66.923 1.00 18.73 H new ATOM 0 HB3 GLU A 77 96.425 67.860 66.796 1.00 18.73 H new ATOM 0 HG2 GLU A 77 97.812 66.199 67.869 1.00 30.15 H new ATOM 0 HG3 GLU A 77 96.620 65.202 67.726 1.00 30.15 H new ATOM 556 N GLY A 78 96.349 69.911 67.940 1.00 3.12 N ATOM 557 CA GLY A 78 96.192 71.328 67.679 1.00 2.25 C ATOM 558 C GLY A 78 97.097 72.183 68.536 1.00 3.85 C ATOM 559 O GLY A 78 97.644 71.711 69.541 1.00 2.00 O ATOM 0 H GLY A 78 97.102 69.584 67.684 1.00 3.12 H new ATOM 0 HA2 GLY A 78 96.379 71.503 66.743 1.00 2.25 H new ATOM 0 HA3 GLY A 78 95.269 71.582 67.837 1.00 2.25 H new ATOM 560 N LEU A 79 97.250 73.448 68.151 1.00 9.51 N ATOM 561 CA LEU A 79 98.095 74.371 68.916 1.00 21.56 C ATOM 562 C LEU A 79 97.375 74.705 70.236 1.00 24.59 C ATOM 563 O LEU A 79 96.140 74.797 70.269 1.00 24.62 O ATOM 564 CB LEU A 79 98.381 75.654 68.120 1.00 21.18 C ATOM 565 CG LEU A 79 98.537 75.577 66.590 1.00 26.16 C ATOM 566 CD1 LEU A 79 99.152 76.883 66.072 1.00 25.11 C ATOM 567 CD2 LEU A 79 99.393 74.390 66.165 1.00 25.73 C ATOM 0 H LEU A 79 96.878 73.792 67.456 1.00 9.51 H new ATOM 0 HA LEU A 79 98.950 73.950 69.098 1.00 21.56 H new ATOM 0 HB2 LEU A 79 97.663 76.279 68.308 1.00 21.18 H new ATOM 0 HB3 LEU A 79 99.196 76.042 68.476 1.00 21.18 H new ATOM 0 HG LEU A 79 97.656 75.452 66.204 1.00 26.16 H new ATOM 0 HD11 LEU A 79 99.250 76.835 65.108 1.00 25.11 H new ATOM 0 HD12 LEU A 79 98.573 77.627 66.301 1.00 25.11 H new ATOM 0 HD13 LEU A 79 100.022 77.015 66.479 1.00 25.11 H new ATOM 0 HD21 LEU A 79 99.468 74.375 65.198 1.00 25.73 H new ATOM 0 HD22 LEU A 79 100.277 74.471 66.556 1.00 25.73 H new ATOM 0 HD23 LEU A 79 98.980 73.567 66.470 1.00 25.73 H new ATOM 568 N ASN A 80 98.141 74.828 71.322 1.00 18.24 N ATOM 569 CA ASN A 80 97.586 75.132 72.644 1.00 13.79 C ATOM 570 C ASN A 80 96.464 74.162 73.023 1.00 14.15 C ATOM 571 O ASN A 80 95.575 74.489 73.815 1.00 11.01 O ATOM 572 CB ASN A 80 97.028 76.554 72.690 1.00 14.19 C ATOM 573 CG ASN A 80 97.985 77.572 72.163 1.00 14.39 C ATOM 574 OD1 ASN A 80 98.987 77.889 72.806 1.00 12.66 O ATOM 575 ND2 ASN A 80 97.674 78.122 70.991 1.00 16.91 N ATOM 0 H ASN A 80 98.996 74.738 71.313 1.00 18.24 H new ATOM 0 HA ASN A 80 98.315 75.041 73.277 1.00 13.79 H new ATOM 0 HB2 ASN A 80 96.207 76.591 72.174 1.00 14.19 H new ATOM 0 HB3 ASN A 80 96.798 76.777 73.606 1.00 14.19 H new ATOM 0 HD21 ASN A 80 98.182 78.727 70.651 1.00 16.91 H new ATOM 0 HD22 ASN A 80 96.965 77.872 70.574 1.00 16.91 H new ATOM 576 N ALA A 81 96.486 72.978 72.434 1.00 17.36 N ATOM 577 CA ALA A 81 95.464 71.989 72.728 1.00 22.60 C ATOM 578 C ALA A 81 95.337 71.782 74.240 1.00 20.46 C ATOM 579 O ALA A 81 94.271 72.020 74.804 1.00 12.30 O ATOM 580 CB ALA A 81 95.775 70.674 72.017 1.00 22.76 C ATOM 0 H ALA A 81 97.080 72.728 71.864 1.00 17.36 H new ATOM 0 HA ALA A 81 94.612 72.315 72.398 1.00 22.60 H new ATOM 0 HB1 ALA A 81 95.085 70.024 72.222 1.00 22.76 H new ATOM 0 HB2 ALA A 81 95.804 70.823 71.059 1.00 22.76 H new ATOM 0 HB3 ALA A 81 96.634 70.339 72.318 1.00 22.76 H new ATOM 581 N ALA A 82 96.446 71.449 74.900 1.00 21.94 N ATOM 582 CA ALA A 82 96.449 71.209 76.352 1.00 27.29 C ATOM 583 C ALA A 82 96.133 72.458 77.189 1.00 24.08 C ATOM 584 O ALA A 82 95.379 72.394 78.166 1.00 24.13 O ATOM 585 CB ALA A 82 97.795 70.582 76.796 1.00 25.89 C ATOM 0 H ALA A 82 97.215 71.355 74.526 1.00 21.94 H new ATOM 0 HA ALA A 82 95.727 70.584 76.522 1.00 27.29 H new ATOM 0 HB1 ALA A 82 97.781 70.430 77.754 1.00 25.89 H new ATOM 0 HB2 ALA A 82 97.926 69.737 76.337 1.00 25.89 H new ATOM 0 HB3 ALA A 82 98.522 71.185 76.575 1.00 25.89 H new ATOM 586 N ALA A 83 96.704 73.591 76.792 1.00 23.98 N ATOM 587 CA ALA A 83 96.486 74.847 77.496 1.00 22.19 C ATOM 588 C ALA A 83 95.006 75.177 77.536 1.00 18.46 C ATOM 589 O ALA A 83 94.425 75.338 78.606 1.00 21.64 O ATOM 590 CB ALA A 83 97.253 75.970 76.812 1.00 27.29 C ATOM 0 H ALA A 83 97.225 73.652 76.111 1.00 23.98 H new ATOM 0 HA ALA A 83 96.809 74.754 78.406 1.00 22.19 H new ATOM 0 HB1 ALA A 83 97.102 76.802 77.288 1.00 27.29 H new ATOM 0 HB2 ALA A 83 98.201 75.764 76.816 1.00 27.29 H new ATOM 0 HB3 ALA A 83 96.946 76.061 75.896 1.00 27.29 H new ATOM 591 N THR A 84 94.399 75.222 76.355 1.00 18.23 N ATOM 592 CA THR A 84 92.979 75.531 76.207 1.00 16.42 C ATOM 593 C THR A 84 92.032 74.472 76.761 1.00 11.62 C ATOM 594 O THR A 84 90.968 74.810 77.262 1.00 5.06 O ATOM 595 CB THR A 84 92.601 75.787 74.710 1.00 20.78 C ATOM 596 OG1 THR A 84 92.809 74.596 73.936 1.00 10.53 O ATOM 597 CG2 THR A 84 93.462 76.909 74.125 1.00 21.73 C ATOM 0 H THR A 84 94.802 75.073 75.610 1.00 18.23 H new ATOM 0 HA THR A 84 92.861 76.334 76.739 1.00 16.42 H new ATOM 0 HB THR A 84 91.666 76.043 74.675 1.00 20.78 H new ATOM 0 HG1 THR A 84 93.633 74.467 73.836 1.00 10.53 H new ATOM 0 HG21 THR A 84 93.216 77.056 73.198 1.00 21.73 H new ATOM 0 HG22 THR A 84 93.318 77.724 74.630 1.00 21.73 H new ATOM 0 HG23 THR A 84 94.398 76.659 74.175 1.00 21.73 H new ATOM 598 N ALA A 85 92.420 73.201 76.676 1.00 15.90 N ATOM 599 CA ALA A 85 91.565 72.109 77.130 1.00 19.67 C ATOM 600 C ALA A 85 91.081 72.309 78.547 1.00 28.51 C ATOM 601 O ALA A 85 89.873 72.431 78.776 1.00 30.37 O ATOM 602 CB ALA A 85 92.267 70.770 76.991 1.00 18.15 C ATOM 0 H ALA A 85 93.178 72.950 76.357 1.00 15.90 H new ATOM 0 HA ALA A 85 90.784 72.110 76.555 1.00 19.67 H new ATOM 0 HB1 ALA A 85 91.679 70.063 77.299 1.00 18.15 H new ATOM 0 HB2 ALA A 85 92.495 70.619 76.060 1.00 18.15 H new ATOM 0 HB3 ALA A 85 93.077 70.772 77.525 1.00 18.15 H new ATOM 603 N ARG A 86 92.020 72.409 79.486 1.00 30.01 N ATOM 604 CA ARG A 86 91.664 72.605 80.891 1.00 28.86 C ATOM 605 C ARG A 86 90.735 73.806 81.091 1.00 22.17 C ATOM 606 O ARG A 86 89.816 73.751 81.898 1.00 11.71 O ATOM 607 CB ARG A 86 92.919 72.705 81.771 1.00 33.45 C ATOM 608 CG ARG A 86 94.005 73.617 81.238 1.00 44.59 C ATOM 609 CD ARG A 86 95.403 73.148 81.662 1.00 54.41 C ATOM 610 NE ARG A 86 95.678 73.341 83.085 1.00 61.06 N ATOM 611 CZ ARG A 86 95.466 72.424 84.024 1.00 64.90 C ATOM 612 NH1 ARG A 86 94.973 71.236 83.699 1.00 65.78 N ATOM 613 NH2 ARG A 86 95.759 72.691 85.291 1.00 63.02 N ATOM 0 H ARG A 86 92.865 72.366 79.332 1.00 30.01 H new ATOM 0 HA ARG A 86 91.167 71.821 81.173 1.00 28.86 H new ATOM 0 HB2 ARG A 86 92.656 73.017 82.651 1.00 33.45 H new ATOM 0 HB3 ARG A 86 93.289 71.816 81.885 1.00 33.45 H new ATOM 0 HG2 ARG A 86 93.954 73.649 80.270 1.00 44.59 H new ATOM 0 HG3 ARG A 86 93.856 74.520 81.559 1.00 44.59 H new ATOM 0 HD2 ARG A 86 95.500 72.207 81.446 1.00 54.41 H new ATOM 0 HD3 ARG A 86 96.068 73.628 81.144 1.00 54.41 H new ATOM 0 HE ARG A 86 95.999 74.100 83.332 1.00 61.06 H new ATOM 0 HH11 ARG A 86 94.789 71.057 82.878 1.00 65.78 H new ATOM 0 HH12 ARG A 86 94.837 70.645 84.309 1.00 65.78 H new ATOM 0 HH21 ARG A 86 96.086 73.457 85.504 1.00 63.02 H new ATOM 0 HH22 ARG A 86 95.622 72.098 85.898 1.00 63.02 H new ATOM 614 N GLN A 87 90.941 74.863 80.310 1.00 18.60 N ATOM 615 CA GLN A 87 90.097 76.036 80.411 1.00 15.66 C ATOM 616 C GLN A 87 88.650 75.628 80.185 1.00 19.28 C ATOM 617 O GLN A 87 87.781 75.943 81.007 1.00 19.36 O ATOM 618 CB GLN A 87 90.506 77.114 79.405 1.00 6.24 C ATOM 619 CG GLN A 87 91.791 77.835 79.749 1.00 16.32 C ATOM 620 CD GLN A 87 91.959 79.141 78.976 1.00 28.97 C ATOM 621 OE1 GLN A 87 91.314 80.205 79.461 1.00 30.05 O flip ATOM 622 NE2 GLN A 87 92.665 79.197 77.961 1.00 34.22 N flip ATOM 0 H GLN A 87 91.563 74.916 79.719 1.00 18.60 H new ATOM 0 HA GLN A 87 90.200 76.414 81.298 1.00 15.66 H new ATOM 0 HB2 GLN A 87 90.601 76.705 78.531 1.00 6.24 H new ATOM 0 HB3 GLN A 87 89.791 77.766 79.337 1.00 6.24 H new ATOM 0 HG2 GLN A 87 91.808 78.022 80.701 1.00 16.32 H new ATOM 0 HG3 GLN A 87 92.544 77.253 79.561 1.00 16.32 H new ATOM 0 HE21 GLN A 87 93.066 78.491 77.677 1.00 34.22 H new ATOM 0 HE22 GLN A 87 92.754 79.942 77.540 1.00 34.22 H new ATOM 623 N ILE A 88 88.398 74.875 79.113 1.00 22.62 N ATOM 624 CA ILE A 88 87.028 74.443 78.814 1.00 23.72 C ATOM 625 C ILE A 88 86.635 73.154 79.538 1.00 17.14 C ATOM 626 O ILE A 88 85.462 72.794 79.584 1.00 11.82 O ATOM 627 CB ILE A 88 86.721 74.369 77.269 1.00 26.77 C ATOM 628 CG1 ILE A 88 87.468 73.222 76.583 1.00 27.63 C ATOM 629 CG2 ILE A 88 87.059 75.705 76.605 1.00 17.52 C ATOM 630 CD1 ILE A 88 87.140 73.106 75.098 1.00 17.35 C ATOM 0 H ILE A 88 88.994 74.607 78.554 1.00 22.62 H new ATOM 0 HA ILE A 88 86.460 75.144 79.171 1.00 23.72 H new ATOM 0 HB ILE A 88 85.773 74.189 77.167 1.00 26.77 H new ATOM 0 HG12 ILE A 88 88.423 73.354 76.689 1.00 27.63 H new ATOM 0 HG13 ILE A 88 87.246 72.387 77.025 1.00 27.63 H new ATOM 0 HG21 ILE A 88 86.868 75.652 75.655 1.00 17.52 H new ATOM 0 HG22 ILE A 88 86.524 76.409 77.003 1.00 17.52 H new ATOM 0 HG23 ILE A 88 88.000 75.902 76.734 1.00 17.52 H new ATOM 0 HD11 ILE A 88 87.637 72.367 74.713 1.00 17.35 H new ATOM 0 HD12 ILE A 88 86.189 72.947 74.988 1.00 17.35 H new ATOM 0 HD13 ILE A 88 87.384 73.929 74.647 1.00 17.35 H new ATOM 631 N LEU A 89 87.623 72.487 80.132 1.00 16.14 N ATOM 632 CA LEU A 89 87.379 71.268 80.897 1.00 9.06 C ATOM 633 C LEU A 89 86.659 71.795 82.128 1.00 2.00 C ATOM 634 O LEU A 89 85.657 71.256 82.553 1.00 4.67 O ATOM 635 CB LEU A 89 88.713 70.609 81.302 1.00 17.30 C ATOM 636 CG LEU A 89 88.926 69.089 81.133 1.00 19.36 C ATOM 637 CD1 LEU A 89 89.130 68.767 79.675 1.00 14.63 C ATOM 638 CD2 LEU A 89 90.131 68.572 81.949 1.00 2.00 C ATOM 0 H LEU A 89 88.448 72.727 80.103 1.00 16.14 H new ATOM 0 HA LEU A 89 86.880 70.595 80.408 1.00 9.06 H new ATOM 0 HB2 LEU A 89 89.414 71.053 80.800 1.00 17.30 H new ATOM 0 HB3 LEU A 89 88.860 70.815 82.238 1.00 17.30 H new ATOM 0 HG LEU A 89 88.132 68.644 81.469 1.00 19.36 H new ATOM 0 HD11 LEU A 89 89.264 67.812 79.570 1.00 14.63 H new ATOM 0 HD12 LEU A 89 88.348 69.041 79.170 1.00 14.63 H new ATOM 0 HD13 LEU A 89 89.910 69.240 79.345 1.00 14.63 H new ATOM 0 HD21 LEU A 89 90.227 67.616 81.814 1.00 2.00 H new ATOM 0 HD22 LEU A 89 90.938 69.023 81.655 1.00 2.00 H new ATOM 0 HD23 LEU A 89 89.985 68.752 82.891 1.00 2.00 H new ATOM 639 N GLY A 90 87.119 72.945 82.603 1.00 6.70 N ATOM 640 CA GLY A 90 86.539 73.579 83.770 1.00 6.02 C ATOM 641 C GLY A 90 87.468 73.474 84.962 1.00 8.45 C ATOM 642 O GLY A 90 88.507 72.798 84.897 1.00 3.66 O ATOM 0 H GLY A 90 87.776 73.377 82.256 1.00 6.70 H new ATOM 0 HA2 GLY A 90 86.357 74.512 83.579 1.00 6.02 H new ATOM 0 HA3 GLY A 90 85.689 73.162 83.980 1.00 6.02 H new ATOM 643 N ALA A 91 87.108 74.169 86.042 1.00 8.84 N ATOM 644 CA ALA A 91 87.884 74.144 87.281 1.00 6.64 C ATOM 645 C ALA A 91 87.770 72.723 87.821 1.00 3.32 C ATOM 646 O ALA A 91 86.871 71.988 87.419 1.00 2.72 O ATOM 647 CB ALA A 91 87.313 75.140 88.266 1.00 4.96 C ATOM 0 H ALA A 91 86.408 74.667 86.076 1.00 8.84 H new ATOM 0 HA ALA A 91 88.811 74.386 87.132 1.00 6.64 H new ATOM 0 HB1 ALA A 91 87.832 75.119 89.085 1.00 4.96 H new ATOM 0 HB2 ALA A 91 87.349 76.031 87.884 1.00 4.96 H new ATOM 0 HB3 ALA A 91 86.391 74.910 88.461 1.00 4.96 H new ATOM 648 N THR A 92 88.683 72.302 88.688 1.00 5.50 N ATOM 649 CA THR A 92 88.596 70.928 89.202 1.00 8.22 C ATOM 650 C THR A 92 87.253 70.667 89.906 1.00 3.52 C ATOM 651 O THR A 92 86.562 69.688 89.601 1.00 2.00 O ATOM 652 CB THR A 92 89.788 70.561 90.133 1.00 3.20 C ATOM 653 OG1 THR A 92 91.026 70.944 89.518 1.00 2.00 O ATOM 654 CG2 THR A 92 89.826 69.079 90.349 1.00 3.46 C ATOM 0 H THR A 92 89.340 72.771 88.986 1.00 5.50 H new ATOM 0 HA THR A 92 88.648 70.347 88.427 1.00 8.22 H new ATOM 0 HB THR A 92 89.671 71.026 90.976 1.00 3.20 H new ATOM 0 HG1 THR A 92 91.665 70.745 90.026 1.00 2.00 H new ATOM 0 HG21 THR A 92 90.570 68.855 90.930 1.00 3.46 H new ATOM 0 HG22 THR A 92 88.997 68.791 90.761 1.00 3.46 H new ATOM 0 HG23 THR A 92 89.936 68.630 89.496 1.00 3.46 H new ATOM 655 N ASN A 93 86.859 71.587 90.784 1.00 5.37 N ATOM 656 CA ASN A 93 85.601 71.476 91.523 1.00 9.10 C ATOM 657 C ASN A 93 84.424 71.927 90.651 1.00 8.97 C ATOM 658 O ASN A 93 84.309 73.102 90.309 1.00 2.00 O ATOM 659 CB ASN A 93 85.663 72.328 92.801 1.00 17.39 C ATOM 660 CG ASN A 93 84.491 72.067 93.748 1.00 22.80 C ATOM 661 OD1 ASN A 93 83.404 72.807 93.572 1.00 23.15 O flip ATOM 662 ND2 ASN A 93 84.571 71.214 94.628 1.00 26.06 N flip ATOM 0 H ASN A 93 87.313 72.294 90.969 1.00 5.37 H new ATOM 0 HA ASN A 93 85.468 70.547 91.767 1.00 9.10 H new ATOM 0 HB2 ASN A 93 86.495 72.146 93.266 1.00 17.39 H new ATOM 0 HB3 ASN A 93 85.674 73.267 92.558 1.00 17.39 H new ATOM 0 HD21 ASN A 93 85.291 70.752 94.714 1.00 26.06 H new ATOM 0 HD22 ASN A 93 83.907 71.079 95.158 1.00 26.06 H new ATOM 663 N PRO A 94 83.541 70.987 90.271 1.00 13.75 N ATOM 664 CA PRO A 94 82.363 71.271 89.440 1.00 16.03 C ATOM 665 C PRO A 94 81.375 72.243 90.077 1.00 12.17 C ATOM 666 O PRO A 94 80.628 72.922 89.371 1.00 4.83 O ATOM 667 CB PRO A 94 81.749 69.888 89.237 1.00 11.65 C ATOM 668 CG PRO A 94 82.162 69.163 90.468 1.00 16.18 C ATOM 669 CD PRO A 94 83.603 69.552 90.586 1.00 12.67 C ATOM 0 HA PRO A 94 82.604 71.720 88.614 1.00 16.03 H new ATOM 0 HB2 PRO A 94 80.784 69.931 89.151 1.00 11.65 H new ATOM 0 HB3 PRO A 94 82.086 69.458 88.435 1.00 11.65 H new ATOM 0 HG2 PRO A 94 81.647 69.438 91.242 1.00 16.18 H new ATOM 0 HG3 PRO A 94 82.051 68.203 90.380 1.00 16.18 H new ATOM 0 HD2 PRO A 94 83.955 69.388 91.475 1.00 12.67 H new ATOM 0 HD3 PRO A 94 84.166 69.065 89.964 1.00 12.67 H new ATOM 670 N SER A 95 81.365 72.302 91.407 1.00 17.05 N ATOM 671 CA SER A 95 80.478 73.229 92.115 1.00 25.06 C ATOM 672 C SER A 95 81.201 74.569 92.326 1.00 28.04 C ATOM 673 O SER A 95 80.837 75.357 93.202 1.00 29.29 O ATOM 674 CB SER A 95 80.002 72.631 93.450 1.00 25.40 C ATOM 675 OG SER A 95 78.922 71.714 93.268 1.00 12.93 O ATOM 0 H SER A 95 81.860 71.818 91.917 1.00 17.05 H new ATOM 0 HA SER A 95 79.687 73.384 91.576 1.00 25.06 H new ATOM 0 HB2 SER A 95 80.742 72.177 93.883 1.00 25.40 H new ATOM 0 HB3 SER A 95 79.722 73.346 94.043 1.00 25.40 H new ATOM 0 HG SER A 95 79.192 70.931 93.408 1.00 12.93 H new ATOM 676 N ASP A 96 82.171 74.834 91.444 1.00 31.97 N ATOM 677 CA ASP A 96 83.012 76.037 91.455 1.00 29.88 C ATOM 678 C ASP A 96 83.556 76.314 90.033 1.00 27.04 C ATOM 679 O ASP A 96 84.242 77.308 89.804 1.00 19.78 O ATOM 680 CB ASP A 96 84.161 75.811 92.463 1.00 35.89 C ATOM 681 CG ASP A 96 85.318 76.786 92.298 1.00 37.72 C ATOM 682 OD1 ASP A 96 85.311 77.845 92.960 1.00 45.47 O ATOM 683 OD2 ASP A 96 86.259 76.474 91.535 1.00 33.61 O ATOM 0 H ASP A 96 82.364 74.298 90.800 1.00 31.97 H new ATOM 0 HA ASP A 96 82.497 76.813 91.725 1.00 29.88 H new ATOM 0 HB2 ASP A 96 83.810 75.887 93.364 1.00 35.89 H new ATOM 0 HB3 ASP A 96 84.494 74.906 92.364 1.00 35.89 H new ATOM 684 N ALA A 97 83.218 75.441 89.082 1.00 26.83 N ATOM 685 CA ALA A 97 83.670 75.559 87.688 1.00 23.43 C ATOM 686 C ALA A 97 82.760 76.409 86.787 1.00 21.31 C ATOM 687 O ALA A 97 81.565 76.161 86.692 1.00 21.36 O ATOM 688 CB ALA A 97 83.845 74.176 87.094 1.00 22.71 C ATOM 0 H ALA A 97 82.716 74.758 89.227 1.00 26.83 H new ATOM 0 HA ALA A 97 84.515 76.033 87.720 1.00 23.43 H new ATOM 0 HB1 ALA A 97 84.143 74.254 86.174 1.00 22.71 H new ATOM 0 HB2 ALA A 97 84.505 73.684 87.607 1.00 22.71 H new ATOM 0 HB3 ALA A 97 82.999 73.703 87.120 1.00 22.71 H new ATOM 689 N ALA A 98 83.358 77.364 86.076 1.00 25.77 N ATOM 690 CA ALA A 98 82.638 78.282 85.182 1.00 21.58 C ATOM 691 C ALA A 98 81.565 77.638 84.301 1.00 19.32 C ATOM 692 O ALA A 98 81.844 76.713 83.542 1.00 18.99 O ATOM 693 CB ALA A 98 83.633 79.031 84.322 1.00 20.68 C ATOM 0 H ALA A 98 84.207 77.502 86.098 1.00 25.77 H new ATOM 0 HA ALA A 98 82.151 78.883 85.767 1.00 21.58 H new ATOM 0 HB1 ALA A 98 83.159 79.637 83.732 1.00 20.68 H new ATOM 0 HB2 ALA A 98 84.235 79.538 84.890 1.00 20.68 H new ATOM 0 HB3 ALA A 98 84.144 78.399 83.793 1.00 20.68 H new ATOM 694 N PRO A 99 80.319 78.136 84.382 1.00 21.35 N ATOM 695 CA PRO A 99 79.197 77.606 83.590 1.00 18.35 C ATOM 696 C PRO A 99 79.432 77.750 82.086 1.00 13.28 C ATOM 697 O PRO A 99 79.463 78.850 81.551 1.00 3.23 O ATOM 698 CB PRO A 99 78.013 78.452 84.059 1.00 18.77 C ATOM 699 CG PRO A 99 78.395 78.833 85.466 1.00 23.67 C ATOM 700 CD PRO A 99 79.853 79.192 85.297 1.00 25.06 C ATOM 0 HA PRO A 99 79.063 76.654 83.721 1.00 18.35 H new ATOM 0 HB2 PRO A 99 77.887 79.233 83.498 1.00 18.77 H new ATOM 0 HB3 PRO A 99 77.183 77.950 84.037 1.00 18.77 H new ATOM 0 HG2 PRO A 99 77.871 79.580 85.797 1.00 23.67 H new ATOM 0 HG3 PRO A 99 78.270 78.100 86.089 1.00 23.67 H new ATOM 0 HD2 PRO A 99 79.968 80.078 84.919 1.00 25.06 H new ATOM 0 HD3 PRO A 99 80.331 79.179 86.141 1.00 25.06 H new ATOM 701 N GLY A 100 79.583 76.611 81.424 1.00 13.49 N ATOM 702 CA GLY A 100 79.833 76.568 79.997 1.00 11.88 C ATOM 703 C GLY A 100 80.791 75.415 79.739 1.00 16.23 C ATOM 704 O GLY A 100 80.941 74.942 78.606 1.00 14.45 O ATOM 0 H GLY A 100 79.542 75.837 81.796 1.00 13.49 H new ATOM 0 HA2 GLY A 100 79.005 76.440 79.509 1.00 11.88 H new ATOM 0 HA3 GLY A 100 80.216 77.405 79.692 1.00 11.88 H new ATOM 705 N THR A 101 81.406 74.938 80.819 1.00 13.90 N ATOM 706 CA THR A 101 82.363 73.844 80.767 1.00 15.97 C ATOM 707 C THR A 101 81.746 72.456 81.016 1.00 13.85 C ATOM 708 O THR A 101 80.642 72.338 81.538 1.00 11.62 O ATOM 709 CB THR A 101 83.462 74.080 81.783 1.00 19.34 C ATOM 710 OG1 THR A 101 82.890 74.102 83.097 1.00 25.46 O ATOM 711 CG2 THR A 101 84.139 75.406 81.504 1.00 16.92 C ATOM 0 H THR A 101 81.275 75.247 81.611 1.00 13.90 H new ATOM 0 HA THR A 101 82.711 73.838 79.862 1.00 15.97 H new ATOM 0 HB THR A 101 84.118 73.368 81.723 1.00 19.34 H new ATOM 0 HG1 THR A 101 82.575 74.865 83.253 1.00 25.46 H new ATOM 0 HG21 THR A 101 84.842 75.554 82.156 1.00 16.92 H new ATOM 0 HG22 THR A 101 84.522 75.393 80.613 1.00 16.92 H new ATOM 0 HG23 THR A 101 83.487 76.121 81.564 1.00 16.92 H new ATOM 712 N ILE A 102 82.496 71.411 80.680 1.00 11.78 N ATOM 713 CA ILE A 102 82.035 70.028 80.840 1.00 12.22 C ATOM 714 C ILE A 102 81.749 69.719 82.302 1.00 7.31 C ATOM 715 O ILE A 102 80.905 68.885 82.614 1.00 7.73 O ATOM 716 CB ILE A 102 83.076 68.993 80.242 1.00 9.05 C ATOM 717 CG1 ILE A 102 83.042 69.001 78.708 1.00 6.72 C ATOM 718 CG2 ILE A 102 82.752 67.588 80.678 1.00 2.00 C ATOM 719 CD1 ILE A 102 83.112 70.391 78.059 1.00 7.34 C ATOM 0 H ILE A 102 83.288 71.480 80.352 1.00 11.78 H new ATOM 0 HA ILE A 102 81.209 69.936 80.340 1.00 12.22 H new ATOM 0 HB ILE A 102 83.950 69.261 80.567 1.00 9.05 H new ATOM 0 HG12 ILE A 102 83.784 68.469 78.380 1.00 6.72 H new ATOM 0 HG13 ILE A 102 82.227 68.564 78.415 1.00 6.72 H new ATOM 0 HG21 ILE A 102 83.401 66.974 80.301 1.00 2.00 H new ATOM 0 HG22 ILE A 102 82.782 67.534 81.646 1.00 2.00 H new ATOM 0 HG23 ILE A 102 81.864 67.350 80.369 1.00 2.00 H new ATOM 0 HD11 ILE A 102 83.085 70.299 77.094 1.00 7.34 H new ATOM 0 HD12 ILE A 102 82.358 70.925 78.354 1.00 7.34 H new ATOM 0 HD13 ILE A 102 83.938 70.828 78.319 1.00 7.34 H new ATOM 720 N ARG A 103 82.402 70.464 83.186 1.00 8.81 N ATOM 721 CA ARG A 103 82.251 70.284 84.626 1.00 9.69 C ATOM 722 C ARG A 103 81.133 71.122 85.249 1.00 10.63 C ATOM 723 O ARG A 103 80.291 70.595 85.984 1.00 9.08 O ATOM 724 CB ARG A 103 83.587 70.564 85.314 1.00 6.19 C ATOM 725 CG ARG A 103 84.653 69.533 84.968 1.00 2.00 C ATOM 726 CD ARG A 103 85.874 69.762 85.776 1.00 2.00 C ATOM 727 NE ARG A 103 86.796 68.640 85.710 1.00 4.07 N ATOM 728 CZ ARG A 103 88.112 68.764 85.857 1.00 10.42 C ATOM 729 NH1 ARG A 103 88.652 69.963 86.076 1.00 9.96 N ATOM 730 NH2 ARG A 103 88.890 67.696 85.785 1.00 10.13 N ATOM 0 H ARG A 103 82.948 71.091 82.967 1.00 8.81 H new ATOM 0 HA ARG A 103 81.985 69.362 84.766 1.00 9.69 H new ATOM 0 HB2 ARG A 103 83.900 71.446 85.058 1.00 6.19 H new ATOM 0 HB3 ARG A 103 83.455 70.578 86.275 1.00 6.19 H new ATOM 0 HG2 ARG A 103 84.313 68.640 85.132 1.00 2.00 H new ATOM 0 HG3 ARG A 103 84.868 69.586 84.024 1.00 2.00 H new ATOM 0 HD2 ARG A 103 86.321 70.564 85.463 1.00 2.00 H new ATOM 0 HD3 ARG A 103 85.624 69.919 86.700 1.00 2.00 H new ATOM 0 HE ARG A 103 86.474 67.855 85.569 1.00 4.07 H new ATOM 0 HH11 ARG A 103 88.149 70.659 86.123 1.00 9.96 H new ATOM 0 HH12 ARG A 103 89.503 70.040 86.171 1.00 9.96 H new ATOM 0 HH21 ARG A 103 88.545 66.921 85.643 1.00 10.13 H new ATOM 0 HH22 ARG A 103 89.741 67.777 85.880 1.00 10.13 H new ATOM 731 N GLY A 104 81.133 72.419 84.955 1.00 7.62 N ATOM 732 CA GLY A 104 80.111 73.299 85.482 1.00 9.31 C ATOM 733 C GLY A 104 78.741 73.052 84.866 1.00 19.63 C ATOM 734 O GLY A 104 77.730 73.619 85.312 1.00 20.62 O ATOM 0 H GLY A 104 81.716 72.803 84.453 1.00 7.62 H new ATOM 0 HA2 GLY A 104 80.054 73.182 86.443 1.00 9.31 H new ATOM 0 HA3 GLY A 104 80.371 74.220 85.323 1.00 9.31 H new ATOM 735 N ASP A 105 78.703 72.232 83.817 1.00 18.04 N ATOM 736 CA ASP A 105 77.448 71.915 83.147 1.00 14.02 C ATOM 737 C ASP A 105 77.010 70.504 83.476 1.00 16.87 C ATOM 738 O ASP A 105 75.821 70.203 83.436 1.00 20.07 O ATOM 739 CB ASP A 105 77.588 72.022 81.629 1.00 15.53 C ATOM 740 CG ASP A 105 77.807 73.440 81.142 1.00 9.73 C ATOM 741 OD1 ASP A 105 78.305 73.580 80.008 1.00 22.63 O ATOM 742 OD2 ASP A 105 77.470 74.403 81.854 1.00 10.82 O ATOM 0 H ASP A 105 79.395 71.849 83.479 1.00 18.04 H new ATOM 0 HA ASP A 105 76.790 72.555 83.461 1.00 14.02 H new ATOM 0 HB2 ASP A 105 78.331 71.470 81.340 1.00 15.53 H new ATOM 0 HB3 ASP A 105 76.789 71.664 81.211 1.00 15.53 H new ATOM 743 N PHE A 106 77.976 69.628 83.746 1.00 17.17 N ATOM 744 CA PHE A 106 77.682 68.229 84.061 1.00 18.01 C ATOM 745 C PHE A 106 78.474 67.701 85.259 1.00 20.85 C ATOM 746 O PHE A 106 79.212 66.716 85.120 1.00 23.95 O ATOM 747 CB PHE A 106 78.020 67.339 82.869 1.00 15.85 C ATOM 748 CG PHE A 106 77.571 67.877 81.549 1.00 19.03 C ATOM 749 CD1 PHE A 106 78.500 68.281 80.610 1.00 13.44 C ATOM 750 CD2 PHE A 106 76.221 67.936 81.226 1.00 24.15 C ATOM 751 CE1 PHE A 106 78.099 68.729 79.377 1.00 17.22 C ATOM 752 CE2 PHE A 106 75.809 68.388 79.979 1.00 20.99 C ATOM 753 CZ PHE A 106 76.751 68.783 79.057 1.00 20.76 C ATOM 0 H PHE A 106 78.813 69.824 83.752 1.00 17.17 H new ATOM 0 HA PHE A 106 76.736 68.202 84.276 1.00 18.01 H new ATOM 0 HB2 PHE A 106 78.980 67.205 82.841 1.00 15.85 H new ATOM 0 HB3 PHE A 106 77.616 66.468 83.005 1.00 15.85 H new ATOM 0 HD1 PHE A 106 79.406 68.249 80.816 1.00 13.44 H new ATOM 0 HD2 PHE A 106 75.586 67.670 81.852 1.00 24.15 H new ATOM 0 HE1 PHE A 106 78.734 68.998 78.753 1.00 17.22 H new ATOM 0 HE2 PHE A 106 74.904 68.423 79.769 1.00 20.99 H new ATOM 0 HZ PHE A 106 76.484 69.086 78.219 1.00 20.76 H new ATOM 754 N GLY A 107 78.328 68.336 86.421 1.00 18.10 N ATOM 755 CA GLY A 107 79.054 67.889 87.597 1.00 17.10 C ATOM 756 C GLY A 107 78.740 68.684 88.852 1.00 21.04 C ATOM 757 O GLY A 107 78.765 69.922 88.827 1.00 15.65 O ATOM 0 H GLY A 107 77.819 69.018 86.545 1.00 18.10 H new ATOM 0 HA2 GLY A 107 78.849 66.954 87.757 1.00 17.10 H new ATOM 0 HA3 GLY A 107 80.006 67.944 87.419 1.00 17.10 H new ATOM 758 N VAL A 108 78.469 67.970 89.951 1.00 20.20 N ATOM 759 CA VAL A 108 78.142 68.601 91.233 1.00 13.98 C ATOM 760 C VAL A 108 79.087 68.182 92.367 1.00 12.65 C ATOM 761 O VAL A 108 78.971 68.695 93.482 1.00 10.59 O ATOM 762 CB VAL A 108 76.664 68.335 91.674 1.00 12.93 C ATOM 763 CG1 VAL A 108 75.929 69.648 91.946 1.00 7.54 C ATOM 764 CG2 VAL A 108 75.924 67.558 90.634 1.00 15.94 C ATOM 0 H VAL A 108 78.470 67.110 89.973 1.00 20.20 H new ATOM 0 HA VAL A 108 78.257 69.551 91.074 1.00 13.98 H new ATOM 0 HB VAL A 108 76.696 67.815 92.492 1.00 12.93 H new ATOM 0 HG11 VAL A 108 75.017 69.458 92.217 1.00 7.54 H new ATOM 0 HG12 VAL A 108 76.382 70.132 92.654 1.00 7.54 H new ATOM 0 HG13 VAL A 108 75.921 70.187 91.140 1.00 7.54 H new ATOM 0 HG21 VAL A 108 75.013 67.406 90.930 1.00 15.94 H new ATOM 0 HG22 VAL A 108 75.914 68.057 89.803 1.00 15.94 H new ATOM 0 HG23 VAL A 108 76.364 66.705 90.493 1.00 15.94 H new ATOM 765 N SER A 109 80.059 67.313 92.069 1.00 11.27 N ATOM 766 CA SER A 109 81.020 66.850 93.086 1.00 17.11 C ATOM 767 C SER A 109 82.469 66.707 92.608 1.00 18.66 C ATOM 768 O SER A 109 82.730 66.154 91.542 1.00 27.47 O ATOM 769 CB SER A 109 80.567 65.515 93.663 1.00 15.26 C ATOM 770 OG SER A 109 79.248 65.614 94.170 1.00 29.16 O ATOM 0 H SER A 109 80.181 66.979 91.286 1.00 11.27 H new ATOM 0 HA SER A 109 81.024 67.553 93.754 1.00 17.11 H new ATOM 0 HB2 SER A 109 80.605 64.831 92.977 1.00 15.26 H new ATOM 0 HB3 SER A 109 81.171 65.241 94.370 1.00 15.26 H new ATOM 0 HG SER A 109 79.012 64.871 94.483 1.00 29.16 H new ATOM 771 N ALA A 110 83.412 67.166 93.423 1.00 19.86 N ATOM 772 CA ALA A 110 84.836 67.078 93.087 1.00 21.90 C ATOM 773 C ALA A 110 85.301 65.631 93.019 1.00 22.67 C ATOM 774 O ALA A 110 86.335 65.337 92.414 1.00 26.88 O ATOM 775 CB ALA A 110 85.686 67.858 94.106 1.00 19.09 C ATOM 0 H ALA A 110 83.250 67.536 94.182 1.00 19.86 H new ATOM 0 HA ALA A 110 84.954 67.476 92.210 1.00 21.90 H new ATOM 0 HB1 ALA A 110 86.623 67.788 93.867 1.00 19.09 H new ATOM 0 HB2 ALA A 110 85.421 68.791 94.102 1.00 19.09 H new ATOM 0 HB3 ALA A 110 85.550 67.487 94.992 1.00 19.09 H new ATOM 776 N GLY A 111 84.562 64.745 93.690 1.00 26.20 N ATOM 777 CA GLY A 111 84.887 63.326 93.698 1.00 22.04 C ATOM 778 C GLY A 111 84.898 62.800 92.278 1.00 21.78 C ATOM 779 O GLY A 111 85.959 62.465 91.739 1.00 18.40 O ATOM 0 H GLY A 111 83.864 64.952 94.149 1.00 26.20 H new ATOM 0 HA2 GLY A 111 85.753 63.185 94.112 1.00 22.04 H new ATOM 0 HA3 GLY A 111 84.237 62.839 94.228 1.00 22.04 H new ATOM 780 N ARG A 112 83.719 62.723 91.667 1.00 17.26 N ATOM 781 CA ARG A 112 83.641 62.278 90.286 1.00 24.44 C ATOM 782 C ARG A 112 83.096 63.366 89.347 1.00 25.22 C ATOM 783 O ARG A 112 81.888 63.584 89.247 1.00 27.81 O ATOM 784 CB ARG A 112 82.883 60.956 90.180 1.00 26.64 C ATOM 785 CG ARG A 112 83.760 59.750 90.583 1.00 28.18 C ATOM 786 CD ARG A 112 83.164 58.413 90.176 1.00 14.30 C ATOM 787 NE ARG A 112 81.881 58.190 90.827 1.00 21.96 N ATOM 788 CZ ARG A 112 80.792 57.736 90.214 1.00 23.34 C ATOM 789 NH1 ARG A 112 80.814 57.447 88.918 1.00 14.68 N ATOM 790 NH2 ARG A 112 79.672 57.573 90.907 1.00 26.24 N ATOM 0 H ARG A 112 82.965 62.921 92.030 1.00 17.26 H new ATOM 0 HA ARG A 112 84.546 62.109 89.979 1.00 24.44 H new ATOM 0 HB2 ARG A 112 82.098 60.988 90.749 1.00 26.64 H new ATOM 0 HB3 ARG A 112 82.569 60.836 89.270 1.00 26.64 H new ATOM 0 HG2 ARG A 112 84.636 59.844 90.176 1.00 28.18 H new ATOM 0 HG3 ARG A 112 83.891 59.760 91.544 1.00 28.18 H new ATOM 0 HD2 ARG A 112 83.050 58.386 89.213 1.00 14.30 H new ATOM 0 HD3 ARG A 112 83.777 57.698 90.409 1.00 14.30 H new ATOM 0 HE ARG A 112 81.823 58.364 91.667 1.00 21.96 H new ATOM 0 HH11 ARG A 112 81.538 57.553 88.466 1.00 14.68 H new ATOM 0 HH12 ARG A 112 80.104 57.154 88.531 1.00 14.68 H new ATOM 0 HH21 ARG A 112 79.654 57.761 91.746 1.00 26.24 H new ATOM 0 HH22 ARG A 112 78.964 57.280 90.517 1.00 26.24 H new ATOM 791 N ASN A 113 84.021 64.061 88.686 1.00 22.14 N ATOM 792 CA ASN A 113 83.694 65.151 87.765 1.00 19.90 C ATOM 793 C ASN A 113 83.946 64.804 86.299 1.00 15.77 C ATOM 794 O ASN A 113 85.029 65.030 85.762 1.00 12.07 O ATOM 795 CB ASN A 113 84.485 66.408 88.139 1.00 21.14 C ATOM 796 CG ASN A 113 85.969 66.134 88.306 1.00 19.24 C ATOM 797 OD1 ASN A 113 86.304 65.290 89.271 1.00 20.40 O flip ATOM 798 ND2 ASN A 113 86.799 66.653 87.560 1.00 10.83 N flip ATOM 0 H ASN A 113 84.865 63.912 88.760 1.00 22.14 H new ATOM 0 HA ASN A 113 82.741 65.310 87.856 1.00 19.90 H new ATOM 0 HB2 ASN A 113 84.359 67.082 87.453 1.00 21.14 H new ATOM 0 HB3 ASN A 113 84.132 66.775 88.965 1.00 21.14 H new ATOM 0 HD21 ASN A 113 86.543 67.196 86.944 1.00 10.83 H new ATOM 0 HD22 ASN A 113 87.634 66.472 87.654 1.00 10.83 H new ATOM 799 N ALA A 114 82.915 64.269 85.662 1.00 12.23 N ATOM 800 CA ALA A 114 82.948 63.860 84.261 1.00 13.26 C ATOM 801 C ALA A 114 84.313 63.484 83.642 1.00 10.66 C ATOM 802 O ALA A 114 84.628 62.297 83.546 1.00 10.58 O ATOM 803 CB ALA A 114 82.186 64.878 83.389 1.00 3.20 C ATOM 0 H ALA A 114 82.155 64.129 86.040 1.00 12.23 H new ATOM 0 HA ALA A 114 82.497 63.001 84.269 1.00 13.26 H new ATOM 0 HB1 ALA A 114 82.215 64.596 82.461 1.00 3.20 H new ATOM 0 HB2 ALA A 114 81.263 64.929 83.682 1.00 3.20 H new ATOM 0 HB3 ALA A 114 82.600 65.751 83.474 1.00 3.20 H new ATOM 804 N ILE A 115 85.132 64.471 83.265 1.00 7.52 N ATOM 805 CA ILE A 115 86.419 64.177 82.622 1.00 8.86 C ATOM 806 C ILE A 115 87.701 64.565 83.350 1.00 9.97 C ATOM 807 O ILE A 115 87.681 65.247 84.378 1.00 6.79 O ATOM 808 CB ILE A 115 86.497 64.696 81.131 1.00 9.20 C ATOM 809 CG1 ILE A 115 87.033 66.135 81.040 1.00 13.62 C ATOM 810 CG2 ILE A 115 85.144 64.591 80.452 1.00 6.21 C ATOM 811 CD1 ILE A 115 86.190 67.199 81.735 1.00 20.42 C ATOM 0 H ILE A 115 84.964 65.308 83.371 1.00 7.52 H new ATOM 0 HA ILE A 115 86.402 63.208 82.656 1.00 8.86 H new ATOM 0 HB ILE A 115 87.127 64.124 80.666 1.00 9.20 H new ATOM 0 HG12 ILE A 115 87.926 66.155 81.419 1.00 13.62 H new ATOM 0 HG13 ILE A 115 87.117 66.373 80.103 1.00 13.62 H new ATOM 0 HG21 ILE A 115 85.214 64.914 79.540 1.00 6.21 H new ATOM 0 HG22 ILE A 115 84.856 63.665 80.446 1.00 6.21 H new ATOM 0 HG23 ILE A 115 84.496 65.127 80.936 1.00 6.21 H new ATOM 0 HD11 ILE A 115 86.607 68.067 81.622 1.00 20.42 H new ATOM 0 HD12 ILE A 115 85.302 67.214 81.345 1.00 20.42 H new ATOM 0 HD13 ILE A 115 86.124 66.993 82.681 1.00 20.42 H new ATOM 812 N HIS A 116 88.810 64.152 82.740 1.00 5.27 N ATOM 813 CA HIS A 116 90.157 64.356 83.237 1.00 5.89 C ATOM 814 C HIS A 116 91.025 64.862 82.072 1.00 10.51 C ATOM 815 O HIS A 116 90.868 64.414 80.944 1.00 8.16 O ATOM 816 CB HIS A 116 90.683 63.006 83.757 1.00 9.42 C ATOM 817 CG HIS A 116 92.149 62.994 84.063 1.00 11.90 C ATOM 818 ND1 HIS A 116 92.645 63.130 85.340 1.00 6.09 N ATOM 819 CD2 HIS A 116 93.227 62.908 83.247 1.00 15.11 C ATOM 820 CE1 HIS A 116 93.963 63.137 85.298 1.00 16.86 C ATOM 821 NE2 HIS A 116 94.342 63.005 84.041 1.00 18.94 N ATOM 0 H HIS A 116 88.791 63.727 81.993 1.00 5.27 H new ATOM 0 HA HIS A 116 90.179 65.006 83.957 1.00 5.89 H new ATOM 0 HB2 HIS A 116 90.194 62.767 84.560 1.00 9.42 H new ATOM 0 HB3 HIS A 116 90.495 62.321 83.096 1.00 9.42 H new ATOM 0 HD1 HIS A 116 92.170 63.200 86.053 1.00 6.09 H new ATOM 0 HD2 HIS A 116 93.214 62.803 82.323 1.00 15.11 H new ATOM 0 HE1 HIS A 116 94.530 63.221 86.031 1.00 16.86 H new ATOM 822 N GLY A 117 91.967 65.758 82.357 1.00 16.39 N ATOM 823 CA GLY A 117 92.818 66.295 81.306 1.00 19.44 C ATOM 824 C GLY A 117 94.087 66.957 81.813 1.00 17.43 C ATOM 825 O GLY A 117 94.048 67.758 82.750 1.00 18.75 O ATOM 0 H GLY A 117 92.127 66.064 83.145 1.00 16.39 H new ATOM 0 HA2 GLY A 117 93.059 65.577 80.700 1.00 19.44 H new ATOM 0 HA3 GLY A 117 92.311 66.942 80.791 1.00 19.44 H new ATOM 826 N SER A 118 95.195 66.657 81.135 1.00 16.80 N ATOM 827 CA SER A 118 96.540 67.142 81.455 1.00 18.47 C ATOM 828 C SER A 118 96.662 68.546 82.060 1.00 25.90 C ATOM 829 O SER A 118 95.957 69.481 81.666 1.00 32.43 O ATOM 830 CB SER A 118 97.418 67.026 80.220 1.00 10.81 C ATOM 831 OG SER A 118 97.349 65.718 79.688 1.00 6.51 O ATOM 0 H SER A 118 95.183 66.143 80.446 1.00 16.80 H new ATOM 0 HA SER A 118 96.836 66.566 82.177 1.00 18.47 H new ATOM 0 HB2 SER A 118 97.133 67.669 79.552 1.00 10.81 H new ATOM 0 HB3 SER A 118 98.336 67.241 80.447 1.00 10.81 H new ATOM 0 HG SER A 118 96.932 65.733 78.959 1.00 6.51 H new ATOM 832 N ASP A 119 97.577 68.681 83.016 1.00 24.83 N ATOM 833 CA ASP A 119 97.783 69.944 83.704 1.00 28.78 C ATOM 834 C ASP A 119 99.016 70.711 83.245 1.00 27.30 C ATOM 835 O ASP A 119 99.275 71.828 83.707 1.00 20.52 O ATOM 836 CB ASP A 119 97.819 69.709 85.216 1.00 40.58 C ATOM 837 CG ASP A 119 96.468 69.267 85.772 1.00 48.27 C ATOM 838 OD1 ASP A 119 95.811 70.083 86.460 1.00 51.35 O ATOM 839 OD2 ASP A 119 96.056 68.112 85.515 1.00 48.65 O ATOM 0 H ASP A 119 98.092 68.045 83.281 1.00 24.83 H new ATOM 0 HA ASP A 119 97.030 70.510 83.472 1.00 28.78 H new ATOM 0 HB2 ASP A 119 98.485 69.034 85.419 1.00 40.58 H new ATOM 0 HB3 ASP A 119 98.097 70.525 85.661 1.00 40.58 H new ATOM 840 N SER A 120 99.744 70.120 82.302 1.00 27.20 N ATOM 841 CA SER A 120 100.956 70.719 81.746 1.00 25.77 C ATOM 842 C SER A 120 101.336 69.921 80.516 1.00 27.06 C ATOM 843 O SER A 120 100.780 68.857 80.269 1.00 30.09 O ATOM 844 CB SER A 120 102.106 70.647 82.759 1.00 26.64 C ATOM 845 OG SER A 120 102.455 69.302 83.043 1.00 20.51 O ATOM 0 H SER A 120 99.548 69.354 81.964 1.00 27.20 H new ATOM 0 HA SER A 120 100.794 71.651 81.530 1.00 25.77 H new ATOM 0 HB2 SER A 120 102.879 71.117 82.409 1.00 26.64 H new ATOM 0 HB3 SER A 120 101.847 71.097 83.579 1.00 26.64 H new ATOM 0 HG SER A 120 103.268 69.181 82.872 1.00 20.51 H new ATOM 846 N ALA A 121 102.286 70.160 79.399 1.00 27.64 N ATOM 847 CA ALA A 121 102.762 69.401 78.248 1.00 29.53 C ATOM 848 C ALA A 121 103.546 68.160 78.694 1.00 34.22 C ATOM 849 O ALA A 121 103.595 67.158 77.975 1.00 39.61 O ATOM 850 CB ALA A 121 103.613 70.281 77.343 1.00 22.51 C ATOM 0 H ALA A 121 102.679 70.925 79.386 1.00 27.64 H new ATOM 0 HA ALA A 121 101.990 69.100 77.744 1.00 29.53 H new ATOM 0 HB1 ALA A 121 103.921 69.762 76.584 1.00 22.51 H new ATOM 0 HB2 ALA A 121 103.083 71.030 77.029 1.00 22.51 H new ATOM 0 HB3 ALA A 121 104.378 70.612 77.839 1.00 22.51 H new ATOM 851 N GLY A 122 104.162 68.243 79.874 1.00 29.89 N ATOM 852 CA GLY A 122 104.919 67.123 80.404 1.00 26.64 C ATOM 853 C GLY A 122 103.965 66.073 80.936 1.00 26.04 C ATOM 854 O GLY A 122 104.093 64.881 80.647 1.00 22.61 O ATOM 0 H GLY A 122 104.151 68.940 80.378 1.00 29.89 H new ATOM 0 HA2 GLY A 122 105.480 66.742 79.710 1.00 26.64 H new ATOM 0 HA3 GLY A 122 105.509 67.425 81.112 1.00 26.64 H new ATOM 855 N SER A 123 102.986 66.530 81.707 1.00 21.76 N ATOM 856 CA SER A 123 101.981 65.651 82.270 1.00 19.43 C ATOM 857 C SER A 123 101.205 65.047 81.091 1.00 23.57 C ATOM 858 O SER A 123 100.714 63.911 81.155 1.00 17.02 O ATOM 859 CB SER A 123 101.055 66.452 83.189 1.00 24.62 C ATOM 860 OG SER A 123 100.279 65.611 84.024 1.00 31.75 O ATOM 0 H SER A 123 102.889 67.358 81.916 1.00 21.76 H new ATOM 0 HA SER A 123 102.380 64.946 82.803 1.00 19.43 H new ATOM 0 HB2 SER A 123 101.585 67.051 83.738 1.00 24.62 H new ATOM 0 HB3 SER A 123 100.466 67.005 82.652 1.00 24.62 H new ATOM 0 HG SER A 123 99.785 66.081 84.514 1.00 31.75 H new ATOM 861 N ALA A 124 101.123 65.815 80.004 1.00 25.20 N ATOM 862 CA ALA A 124 100.448 65.379 78.783 1.00 26.53 C ATOM 863 C ALA A 124 101.293 64.297 78.101 1.00 25.70 C ATOM 864 O ALA A 124 100.771 63.272 77.651 1.00 16.52 O ATOM 865 CB ALA A 124 100.251 66.571 77.843 1.00 19.41 C ATOM 0 H ALA A 124 101.458 66.605 79.955 1.00 25.20 H new ATOM 0 HA ALA A 124 99.577 65.013 79.003 1.00 26.53 H new ATOM 0 HB1 ALA A 124 99.803 66.276 77.035 1.00 19.41 H new ATOM 0 HB2 ALA A 124 99.711 67.245 78.284 1.00 19.41 H new ATOM 0 HB3 ALA A 124 101.115 66.949 77.614 1.00 19.41 H new ATOM 866 N ALA A 125 102.608 64.520 78.096 1.00 21.72 N ATOM 867 CA ALA A 125 103.565 63.610 77.488 1.00 25.74 C ATOM 868 C ALA A 125 103.952 62.425 78.371 1.00 30.08 C ATOM 869 O ALA A 125 104.975 61.779 78.131 1.00 26.98 O ATOM 870 CB ALA A 125 104.792 64.367 77.053 1.00 33.62 C ATOM 0 H ALA A 125 102.969 65.215 78.452 1.00 21.72 H new ATOM 0 HA ALA A 125 103.119 63.226 76.717 1.00 25.74 H new ATOM 0 HB1 ALA A 125 105.425 63.753 76.649 1.00 33.62 H new ATOM 0 HB2 ALA A 125 104.542 65.045 76.406 1.00 33.62 H new ATOM 0 HB3 ALA A 125 105.201 64.791 77.824 1.00 33.62 H new ATOM 871 N LYS A 126 103.137 62.163 79.396 1.00 29.50 N ATOM 872 CA LYS A 126 103.335 61.034 80.304 1.00 26.57 C ATOM 873 C LYS A 126 102.016 60.299 80.526 1.00 28.58 C ATOM 874 O LYS A 126 102.005 59.180 81.036 1.00 33.38 O ATOM 875 CB LYS A 126 103.912 61.481 81.647 1.00 29.56 C ATOM 876 CG LYS A 126 103.005 62.371 82.467 1.00 30.16 C ATOM 877 CD LYS A 126 103.583 62.633 83.866 1.00 25.93 C ATOM 878 CE LYS A 126 103.448 61.415 84.770 1.00 29.72 C ATOM 879 NZ LYS A 126 102.039 60.897 84.808 1.00 20.17 N ATOM 0 H LYS A 126 102.448 62.641 79.584 1.00 29.50 H new ATOM 0 HA LYS A 126 103.975 60.434 79.889 1.00 26.57 H new ATOM 0 HB2 LYS A 126 104.128 60.693 82.169 1.00 29.56 H new ATOM 0 HB3 LYS A 126 104.745 61.951 81.486 1.00 29.56 H new ATOM 0 HG2 LYS A 126 102.876 63.215 82.006 1.00 30.16 H new ATOM 0 HG3 LYS A 126 102.132 61.956 82.549 1.00 30.16 H new ATOM 0 HD2 LYS A 126 104.519 62.877 83.789 1.00 25.93 H new ATOM 0 HD3 LYS A 126 103.126 63.387 84.269 1.00 25.93 H new ATOM 0 HE2 LYS A 126 104.041 60.714 84.458 1.00 29.72 H new ATOM 0 HE3 LYS A 126 103.731 61.647 85.668 1.00 29.72 H new ATOM 0 HZ1 LYS A 126 101.854 60.599 85.626 1.00 20.17 H new ATOM 0 HZ2 LYS A 126 101.476 61.553 84.597 1.00 20.17 H new ATOM 0 HZ3 LYS A 126 101.951 60.232 84.223 1.00 20.17 H new ATOM 880 N GLU A 127 100.906 60.958 80.186 1.00 33.45 N ATOM 881 CA GLU A 127 99.567 60.375 80.315 1.00 29.66 C ATOM 882 C GLU A 127 99.224 59.607 79.028 1.00 26.79 C ATOM 883 O GLU A 127 98.721 58.466 79.073 1.00 12.20 O ATOM 884 CB GLU A 127 98.523 61.465 80.596 1.00 36.97 C ATOM 885 CG GLU A 127 98.327 61.805 82.086 1.00 36.85 C ATOM 886 CD GLU A 127 97.239 62.867 82.324 1.00 38.45 C ATOM 887 OE1 GLU A 127 96.104 62.708 81.813 1.00 24.84 O ATOM 888 OE2 GLU A 127 97.522 63.867 83.025 1.00 39.17 O ATOM 0 H GLU A 127 100.908 61.759 79.873 1.00 33.45 H new ATOM 0 HA GLU A 127 99.557 59.760 81.065 1.00 29.66 H new ATOM 0 HB2 GLU A 127 98.782 62.272 80.125 1.00 36.97 H new ATOM 0 HB3 GLU A 127 97.672 61.182 80.227 1.00 36.97 H new ATOM 0 HG2 GLU A 127 98.094 60.997 82.569 1.00 36.85 H new ATOM 0 HG3 GLU A 127 99.167 62.122 82.453 1.00 36.85 H new ATOM 889 N ILE A 128 99.508 60.233 77.885 1.00 20.01 N ATOM 890 CA ILE A 128 99.274 59.605 76.587 1.00 20.32 C ATOM 891 C ILE A 128 99.897 58.209 76.618 1.00 27.80 C ATOM 892 O ILE A 128 99.206 57.212 76.446 1.00 27.13 O ATOM 893 CB ILE A 128 99.959 60.392 75.466 1.00 12.12 C ATOM 894 CG1 ILE A 128 99.144 61.626 75.094 1.00 10.06 C ATOM 895 CG2 ILE A 128 100.186 59.506 74.257 1.00 16.43 C ATOM 896 CD1 ILE A 128 99.852 62.514 74.088 1.00 3.49 C ATOM 0 H ILE A 128 99.838 61.026 77.841 1.00 20.01 H new ATOM 0 HA ILE A 128 98.319 59.576 76.421 1.00 20.32 H new ATOM 0 HB ILE A 128 100.823 60.692 75.788 1.00 12.12 H new ATOM 0 HG12 ILE A 128 98.290 61.347 74.729 1.00 10.06 H new ATOM 0 HG13 ILE A 128 98.956 62.138 75.896 1.00 10.06 H new ATOM 0 HG21 ILE A 128 100.620 60.018 73.557 1.00 16.43 H new ATOM 0 HG22 ILE A 128 100.750 58.757 74.506 1.00 16.43 H new ATOM 0 HG23 ILE A 128 99.334 59.175 73.934 1.00 16.43 H new ATOM 0 HD11 ILE A 128 99.295 63.282 73.885 1.00 3.49 H new ATOM 0 HD12 ILE A 128 100.695 62.816 74.460 1.00 3.49 H new ATOM 0 HD13 ILE A 128 100.019 62.013 73.275 1.00 3.49 H new ATOM 897 N GLY A 129 101.197 58.164 76.912 1.00 41.43 N ATOM 898 CA GLY A 129 101.936 56.913 76.966 1.00 41.90 C ATOM 899 C GLY A 129 101.358 55.836 77.864 1.00 45.58 C ATOM 900 O GLY A 129 101.091 54.726 77.401 1.00 50.23 O ATOM 0 H GLY A 129 101.671 58.860 77.085 1.00 41.43 H new ATOM 0 HA2 GLY A 129 102.001 56.558 76.066 1.00 41.90 H new ATOM 0 HA3 GLY A 129 102.840 57.105 77.262 1.00 41.90 H new ATOM 901 N ALA A 130 101.141 56.159 79.135 1.00 43.51 N ATOM 902 CA ALA A 130 100.607 55.190 80.092 1.00 45.30 C ATOM 903 C ALA A 130 99.294 54.532 79.661 1.00 45.67 C ATOM 904 O ALA A 130 99.127 53.316 79.806 1.00 45.00 O ATOM 905 CB ALA A 130 100.440 55.837 81.460 1.00 44.51 C ATOM 0 H ALA A 130 101.297 56.937 79.466 1.00 43.51 H new ATOM 0 HA ALA A 130 101.262 54.475 80.132 1.00 45.30 H new ATOM 0 HB1 ALA A 130 100.086 55.185 82.085 1.00 44.51 H new ATOM 0 HB2 ALA A 130 101.301 56.153 81.776 1.00 44.51 H new ATOM 0 HB3 ALA A 130 99.827 56.585 81.392 1.00 44.51 H new ATOM 906 N PHE A 131 98.380 55.335 79.117 1.00 41.99 N ATOM 907 CA PHE A 131 97.072 54.836 78.689 1.00 37.42 C ATOM 908 C PHE A 131 97.037 54.328 77.252 1.00 35.84 C ATOM 909 O PHE A 131 96.224 53.473 76.905 1.00 40.51 O ATOM 910 CB PHE A 131 96.009 55.921 78.863 1.00 28.36 C ATOM 911 CG PHE A 131 95.844 56.391 80.279 1.00 22.52 C ATOM 912 CD1 PHE A 131 96.756 57.276 80.844 1.00 11.27 C ATOM 913 CD2 PHE A 131 94.771 55.956 81.047 1.00 20.16 C ATOM 914 CE1 PHE A 131 96.604 57.718 82.146 1.00 14.83 C ATOM 915 CE2 PHE A 131 94.610 56.397 82.357 1.00 21.59 C ATOM 916 CZ PHE A 131 95.528 57.278 82.906 1.00 18.18 C ATOM 0 H PHE A 131 98.498 56.177 78.986 1.00 41.99 H new ATOM 0 HA PHE A 131 96.886 54.074 79.259 1.00 37.42 H new ATOM 0 HB2 PHE A 131 96.240 56.680 78.305 1.00 28.36 H new ATOM 0 HB3 PHE A 131 95.158 55.582 78.543 1.00 28.36 H new ATOM 0 HD1 PHE A 131 97.478 57.575 80.340 1.00 11.27 H new ATOM 0 HD2 PHE A 131 94.154 55.364 80.682 1.00 20.16 H new ATOM 0 HE1 PHE A 131 97.222 58.309 82.512 1.00 14.83 H new ATOM 0 HE2 PHE A 131 93.888 56.101 82.863 1.00 21.59 H new ATOM 0 HZ PHE A 131 95.424 57.574 83.781 1.00 18.18 H new ATOM 917 N PHE A 132 97.707 55.171 76.240 1.00 31.53 N ATOM 918 CA PHE A 132 97.755 54.711 74.864 1.00 29.25 C ATOM 919 C PHE A 132 99.043 53.913 74.595 1.00 34.31 C ATOM 920 O PHE A 132 99.431 53.054 75.395 1.00 34.81 O ATOM 921 CB PHE A 132 97.652 55.918 73.925 1.00 30.33 C ATOM 922 CG PHE A 132 96.279 56.515 73.855 1.00 34.30 C ATOM 923 CD1 PHE A 132 95.748 57.207 74.934 1.00 32.19 C ATOM 924 CD2 PHE A 132 95.498 56.350 72.718 1.00 37.51 C ATOM 925 CE1 PHE A 132 94.462 57.717 74.882 1.00 31.26 C ATOM 926 CE2 PHE A 132 94.207 56.860 72.659 1.00 30.55 C ATOM 927 CZ PHE A 132 93.690 57.541 73.741 1.00 30.80 C ATOM 0 H PHE A 132 98.082 55.930 76.393 1.00 31.53 H new ATOM 0 HA PHE A 132 97.007 54.116 74.701 1.00 29.25 H new ATOM 0 HB2 PHE A 132 98.277 56.599 74.218 1.00 30.33 H new ATOM 0 HB3 PHE A 132 97.924 55.648 73.034 1.00 30.33 H new ATOM 0 HD1 PHE A 132 96.261 57.329 75.700 1.00 32.19 H new ATOM 0 HD2 PHE A 132 95.844 55.892 71.986 1.00 37.51 H new ATOM 0 HE1 PHE A 132 94.115 58.178 75.611 1.00 31.26 H new ATOM 0 HE2 PHE A 132 93.693 56.743 71.893 1.00 30.55 H new ATOM 0 HZ PHE A 132 92.825 57.882 73.707 1.00 30.80 H new ATOM 928 N GLY A 133 99.707 54.196 73.477 1.00 34.05 N ATOM 929 CA GLY A 133 100.924 53.484 73.152 1.00 34.95 C ATOM 930 C GLY A 133 101.768 54.240 72.151 1.00 35.98 C ATOM 931 O GLY A 133 102.659 55.014 72.529 1.00 36.42 O ATOM 0 H GLY A 133 99.468 54.791 72.903 1.00 34.05 H new ATOM 0 HA2 GLY A 133 101.438 53.336 73.961 1.00 34.95 H new ATOM 0 HA3 GLY A 133 100.702 52.611 72.793 1.00 34.95 H new ATOM 932 N GLY A 134 101.479 54.020 70.872 1.00 34.68 N ATOM 933 CA GLY A 134 102.219 54.682 69.811 1.00 33.46 C ATOM 934 C GLY A 134 101.658 54.317 68.455 1.00 31.56 C ATOM 935 O GLY A 134 101.821 55.057 67.478 1.00 30.16 O ATOM 0 H GLY A 134 100.858 53.491 70.600 1.00 34.68 H new ATOM 0 HA2 GLY A 134 102.178 55.643 69.934 1.00 33.46 H new ATOM 0 HA3 GLY A 134 103.154 54.429 69.857 1.00 33.46 H new ATOM 936 N GLY A 135 100.990 53.166 68.405 1.00 30.87 N ATOM 937 CA GLY A 135 100.394 52.693 67.172 1.00 35.31 C ATOM 938 C GLY A 135 98.892 52.891 67.143 1.00 35.23 C ATOM 939 O GLY A 135 98.298 53.015 66.071 1.00 38.61 O ATOM 0 H GLY A 135 100.874 52.646 69.080 1.00 30.87 H new ATOM 0 HA2 GLY A 135 100.794 53.161 66.422 1.00 35.31 H new ATOM 0 HA3 GLY A 135 100.596 51.751 67.059 1.00 35.31 H new ATOM 940 N GLU A 136 98.281 52.939 68.324 1.00 33.49 N ATOM 941 CA GLU A 136 96.838 53.121 68.447 1.00 29.61 C ATOM 942 C GLU A 136 96.420 54.497 67.993 1.00 29.22 C ATOM 943 O GLU A 136 95.229 54.780 67.878 1.00 30.70 O ATOM 944 CB GLU A 136 96.392 52.927 69.895 1.00 29.37 C ATOM 945 CG GLU A 136 96.541 51.506 70.408 1.00 32.22 C ATOM 946 CD GLU A 136 95.809 51.282 71.716 1.00 36.57 C ATOM 947 OE1 GLU A 136 94.747 50.611 71.692 1.00 26.46 O ATOM 948 OE2 GLU A 136 96.287 51.790 72.760 1.00 35.87 O ATOM 0 H GLU A 136 98.692 52.867 69.076 1.00 33.49 H new ATOM 0 HA GLU A 136 96.416 52.456 67.881 1.00 29.61 H new ATOM 0 HB2 GLU A 136 96.907 53.521 70.464 1.00 29.37 H new ATOM 0 HB3 GLU A 136 95.463 53.193 69.975 1.00 29.37 H new ATOM 0 HG2 GLU A 136 96.203 50.888 69.742 1.00 32.22 H new ATOM 0 HG3 GLU A 136 97.482 51.306 70.529 1.00 32.22 H new ATOM 949 N ALA A 137 97.406 55.356 67.755 1.00 28.03 N ATOM 950 CA ALA A 137 97.145 56.724 67.333 1.00 31.68 C ATOM 951 C ALA A 137 97.219 56.902 65.818 1.00 30.87 C ATOM 952 O ALA A 137 98.210 56.535 65.189 1.00 33.59 O ATOM 953 CB ALA A 137 98.119 57.675 68.034 1.00 23.69 C ATOM 0 H ALA A 137 98.240 55.162 67.834 1.00 28.03 H new ATOM 0 HA ALA A 137 96.234 56.937 67.590 1.00 31.68 H new ATOM 0 HB1 ALA A 137 97.943 58.586 67.751 1.00 23.69 H new ATOM 0 HB2 ALA A 137 98.003 57.607 68.995 1.00 23.69 H new ATOM 0 HB3 ALA A 137 99.030 57.435 67.801 1.00 23.69 H new ATOM 954 N ALA A 138 96.146 57.429 65.236 1.00 29.96 N ATOM 955 CA ALA A 138 96.098 57.679 63.799 1.00 29.38 C ATOM 956 C ALA A 138 96.775 59.021 63.527 1.00 28.98 C ATOM 957 O ALA A 138 96.634 59.963 64.304 1.00 23.64 O ATOM 958 CB ALA A 138 94.651 57.706 63.309 1.00 28.92 C ATOM 0 H ALA A 138 95.431 57.650 65.659 1.00 29.96 H new ATOM 0 HA ALA A 138 96.559 56.970 63.324 1.00 29.38 H new ATOM 0 HB1 ALA A 138 94.636 57.873 62.354 1.00 28.92 H new ATOM 0 HB2 ALA A 138 94.230 56.852 63.494 1.00 28.92 H new ATOM 0 HB3 ALA A 138 94.167 58.410 63.768 1.00 28.92 H new ATOM 959 N SER A 139 97.556 59.089 62.454 1.00 33.32 N ATOM 960 CA SER A 139 98.240 60.331 62.108 1.00 33.02 C ATOM 961 C SER A 139 97.501 60.987 60.951 1.00 34.06 C ATOM 962 O SER A 139 98.109 61.510 60.009 1.00 28.44 O ATOM 963 CB SER A 139 99.702 60.074 61.740 1.00 30.75 C ATOM 964 OG SER A 139 100.464 61.263 61.872 1.00 15.44 O ATOM 0 H SER A 139 97.703 58.434 61.917 1.00 33.32 H new ATOM 0 HA SER A 139 98.238 60.923 62.877 1.00 33.02 H new ATOM 0 HB2 SER A 139 100.069 59.383 62.313 1.00 30.75 H new ATOM 0 HB3 SER A 139 99.759 59.746 60.829 1.00 30.75 H new ATOM 0 HG SER A 139 100.128 61.866 61.394 1.00 15.44 H new ATOM 965 N GLY A 140 96.176 60.959 61.051 1.00 35.54 N ATOM 966 CA GLY A 140 95.337 61.537 60.027 1.00 37.82 C ATOM 967 C GLY A 140 95.370 63.048 60.033 1.00 42.34 C ATOM 968 O GLY A 140 95.512 63.675 61.084 1.00 43.94 O ATOM 0 H GLY A 140 95.748 60.607 61.709 1.00 35.54 H new ATOM 0 HA2 GLY A 140 95.624 61.214 59.158 1.00 37.82 H new ATOM 0 HA3 GLY A 140 94.424 61.236 60.154 1.00 37.82 H new ATOM 969 N THR A 141 95.325 63.621 58.835 1.00 43.72 N ATOM 970 CA THR A 141 95.309 65.063 58.660 1.00 40.41 C ATOM 971 C THR A 141 93.843 65.412 58.452 1.00 41.12 C ATOM 972 O THR A 141 93.236 65.007 57.458 1.00 42.03 O ATOM 0 H THR A 141 95.303 63.179 58.098 1.00 43.72 H new ATOM 973 N PRO A 142 93.239 66.115 59.422 1.00 41.36 N ATOM 974 CA PRO A 142 91.835 66.539 59.393 1.00 37.56 C ATOM 975 C PRO A 142 91.559 67.517 58.256 1.00 35.31 C ATOM 976 O PRO A 142 92.151 68.595 58.196 1.00 35.21 O ATOM 977 N ALA A 143 90.685 67.116 57.340 1.00 32.01 N ATOM 978 CA ALA A 143 90.315 67.956 56.206 1.00 30.41 C ATOM 979 C ALA A 143 89.334 69.037 56.651 1.00 28.68 C ATOM 980 O ALA A 143 88.116 68.923 56.439 1.00 24.73 O ATOM 0 H ALA A 143 90.291 66.352 57.357 1.00 32.01 H new ATOM 981 N ALA A 144 89.889 70.065 57.290 1.00 26.38 N ATOM 982 CA ALA A 144 89.137 71.204 57.803 1.00 26.79 C ATOM 983 C ALA A 144 90.001 72.015 58.772 1.00 27.75 C ATOM 984 O ALA A 144 89.545 73.009 59.345 1.00 29.26 O ATOM 0 H ALA A 144 90.734 70.119 57.440 1.00 26.38 H new ATOM 985 N ALA A 145 91.260 71.604 58.917 1.00 25.52 N ATOM 986 CA ALA A 145 92.207 72.263 59.810 1.00 26.11 C ATOM 987 C ALA A 145 92.712 73.646 59.348 1.00 25.86 C ATOM 988 O ALA A 145 93.174 74.448 60.165 1.00 31.26 O ATOM 989 CB ALA A 145 93.380 71.331 60.088 1.00 20.34 C ATOM 0 H ALA A 145 91.589 70.930 58.496 1.00 25.52 H new ATOM 0 HA ALA A 145 91.709 72.449 60.621 1.00 26.11 H new ATOM 0 HB1 ALA A 145 94.009 71.770 60.682 1.00 20.34 H new ATOM 0 HB2 ALA A 145 93.056 70.518 60.506 1.00 20.34 H new ATOM 0 HB3 ALA A 145 93.823 71.111 59.254 1.00 20.34 H new ATOM 990 N ALA A 146 92.621 73.924 58.052 1.00 20.95 N ATOM 991 CA ALA A 146 93.074 75.199 57.505 1.00 18.38 C ATOM 992 C ALA A 146 92.151 76.348 57.875 1.00 21.04 C ATOM 993 O ALA A 146 92.582 77.498 57.980 1.00 19.79 O ATOM 994 CB ALA A 146 93.195 75.107 56.001 1.00 19.06 C ATOM 0 H ALA A 146 92.297 73.383 57.467 1.00 20.95 H new ATOM 0 HA ALA A 146 93.942 75.384 57.895 1.00 18.38 H new ATOM 0 HB1 ALA A 146 93.496 75.959 55.648 1.00 19.06 H new ATOM 0 HB2 ALA A 146 93.836 74.416 55.769 1.00 19.06 H new ATOM 0 HB3 ALA A 146 92.331 74.887 55.620 1.00 19.06 H new ATOM 995 N ASP A 147 90.878 76.034 58.093 1.00 25.52 N ATOM 996 CA ASP A 147 89.899 77.058 58.439 1.00 21.51 C ATOM 997 C ASP A 147 89.895 77.410 59.924 1.00 17.93 C ATOM 998 O ASP A 147 89.011 78.132 60.402 1.00 7.84 O ATOM 999 CB ASP A 147 88.515 76.645 57.944 1.00 22.18 C ATOM 1000 CG ASP A 147 88.502 76.346 56.444 1.00 28.74 C ATOM 1001 OD1 ASP A 147 88.477 77.305 55.618 1.00 21.58 O ATOM 1002 OD2 ASP A 147 88.533 75.143 56.101 1.00 27.25 O ATOM 0 H ASP A 147 90.561 75.236 58.046 1.00 25.52 H new ATOM 0 HA ASP A 147 90.161 77.875 57.986 1.00 21.51 H new ATOM 0 HB2 ASP A 147 88.220 75.860 58.431 1.00 22.18 H new ATOM 0 HB3 ASP A 147 87.880 77.353 58.136 1.00 22.18 H new ATOM 1003 N ILE A 148 90.925 76.928 60.626 1.00 18.16 N ATOM 1004 CA ILE A 148 91.107 77.166 62.062 1.00 22.84 C ATOM 1005 C ILE A 148 92.404 77.932 62.380 1.00 27.01 C ATOM 1006 O ILE A 148 92.380 78.961 63.062 1.00 25.30 O ATOM 1007 CB ILE A 148 91.135 75.841 62.870 1.00 15.25 C ATOM 1008 CG1 ILE A 148 89.849 75.038 62.649 1.00 13.23 C ATOM 1009 CG2 ILE A 148 91.321 76.154 64.335 1.00 8.28 C ATOM 1010 CD1 ILE A 148 89.728 73.805 63.524 1.00 15.53 C ATOM 0 H ILE A 148 91.546 76.447 60.276 1.00 18.16 H new ATOM 0 HA ILE A 148 90.343 77.704 62.323 1.00 22.84 H new ATOM 0 HB ILE A 148 91.877 75.298 62.561 1.00 15.25 H new ATOM 0 HG12 ILE A 148 89.087 75.615 62.814 1.00 13.23 H new ATOM 0 HG13 ILE A 148 89.804 74.768 61.719 1.00 13.23 H new ATOM 0 HG21 ILE A 148 91.339 75.328 64.843 1.00 8.28 H new ATOM 0 HG22 ILE A 148 92.157 76.629 64.461 1.00 8.28 H new ATOM 0 HG23 ILE A 148 90.586 76.707 64.644 1.00 8.28 H new ATOM 0 HD11 ILE A 148 88.894 73.350 63.329 1.00 15.53 H new ATOM 0 HD12 ILE A 148 90.471 73.207 63.346 1.00 15.53 H new ATOM 0 HD13 ILE A 148 89.742 74.068 64.458 1.00 15.53 H new ATOM 1011 N TYR A 149 93.535 77.397 61.928 1.00 27.09 N ATOM 1012 CA TYR A 149 94.821 78.036 62.173 1.00 30.80 C ATOM 1013 C TYR A 149 95.288 78.747 60.910 1.00 36.98 C ATOM 1014 O TYR A 149 94.609 78.698 59.877 1.00 38.07 O ATOM 1015 CB TYR A 149 95.862 76.998 62.605 1.00 32.08 C ATOM 1016 CG TYR A 149 95.364 76.022 63.653 1.00 32.45 C ATOM 1017 CD1 TYR A 149 95.080 74.700 63.320 1.00 27.44 C ATOM 1018 CD2 TYR A 149 95.134 76.433 64.962 1.00 32.60 C ATOM 1019 CE1 TYR A 149 94.579 73.823 64.256 1.00 27.48 C ATOM 1020 CE2 TYR A 149 94.629 75.555 65.911 1.00 27.88 C ATOM 1021 CZ TYR A 149 94.351 74.254 65.548 1.00 27.15 C ATOM 1022 OH TYR A 149 93.814 73.386 66.469 1.00 32.37 O ATOM 0 H TYR A 149 93.578 76.665 61.478 1.00 27.09 H new ATOM 0 HA TYR A 149 94.718 78.684 62.887 1.00 30.80 H new ATOM 0 HB2 TYR A 149 96.151 76.500 61.825 1.00 32.08 H new ATOM 0 HB3 TYR A 149 96.641 77.460 62.952 1.00 32.08 H new ATOM 0 HD1 TYR A 149 95.231 74.405 62.451 1.00 27.44 H new ATOM 0 HD2 TYR A 149 95.322 77.311 65.205 1.00 32.60 H new ATOM 0 HE1 TYR A 149 94.395 72.943 64.019 1.00 27.48 H new ATOM 0 HE2 TYR A 149 94.480 75.841 66.783 1.00 27.88 H new ATOM 0 HH TYR A 149 93.731 73.777 67.208 1.00 32.37 H new ATOM 1023 N GLY A 150 96.446 79.404 60.994 1.00 39.96 N ATOM 1024 CA GLY A 150 96.978 80.115 59.844 1.00 36.18 C ATOM 1025 C GLY A 150 98.346 80.732 60.073 1.00 25.59 C ATOM 1026 O GLY A 150 98.707 81.653 59.307 1.00 19.85 O ATOM 0 H GLY A 150 96.931 79.447 61.703 1.00 39.96 H new ATOM 0 HA2 GLY A 150 97.032 79.502 59.094 1.00 36.18 H new ATOM 0 HA3 GLY A 150 96.356 80.816 59.593 1.00 36.18 H new TER 1027 GLY A 150 HETATM 1028 O HOH A 151 76.396 68.726 75.716 1.00 32.55 O HETATM 1029 O HOH A 152 97.863 71.270 64.582 1.00 23.12 O HETATM 1030 O HOH A 153 88.446 79.615 54.283 1.00 26.04 O HETATM 1031 O HOH A 154 98.491 53.998 63.076 1.00 31.54 O HETATM 1032 O HOH A 155 86.416 59.926 95.510 1.00 24.70 O HETATM 1033 O HOH A 156 85.520 54.973 95.209 1.00 29.34 O HETATM 1034 O HOH A 157 90.923 62.468 63.808 1.00 28.94 O HETATM 1035 O HOH A 158 100.635 55.652 65.165 1.00 28.83 O HETATM 1036 O HOH A 159 97.261 64.530 62.783 1.00 54.63 O HETATM 1037 O HOH A 160 73.127 64.734 77.082 1.00 40.34 O HETATM 1038 O HOH A 161 97.546 66.361 54.738 1.00 27.04 O HETATM 1039 O HOH A 162 95.037 69.032 79.151 1.00 34.33 O HETATM 1040 O HOH A 163 92.819 71.830 55.830 1.00 28.33 O HETATM 1041 O HOH A 164 103.191 62.297 64.493 1.00 19.51 O HETATM 1042 O HOH A 165 98.957 80.739 63.926 1.00 42.44 O HETATM 1043 O HOH A 166 78.540 74.771 88.957 1.00 37.37 O HETATM 1044 O HOH A 167 90.010 81.787 81.103 1.00 39.96 O HETATM 1045 O HOH A 168 98.416 53.318 82.353 1.00 33.93 O HETATM 1046 O HOH A 169 87.201 63.747 64.862 1.00 24.92 O HETATM 1047 O HOH A 170 76.281 71.827 78.785 1.00 33.35 O HETATM 1048 O HOH A 171 92.146 57.139 91.659 1.00 55.36 O HETATM 1049 O HOH A 172 88.368 47.719 89.529 1.00 23.80 O HETATM 1050 O HOH A 173 100.805 61.667 99.919 1.00 39.63 O HETATM 1051 O HOH A 174 92.813 80.811 59.773 1.00 67.86 O HETATM 1052 O HOH A 175 101.424 57.527 86.158 1.00 54.11 O HETATM 1053 O HOH A 176 82.124 74.128 75.826 1.00 68.12 O HETATM 1054 O HOH A 177 103.328 59.988 61.592 1.00 28.04 O HETATM 1055 O HOH A 178 93.319 68.560 85.600 1.00 56.46 O HETATM 1056 O HOH A 179 107.504 62.884 77.629 1.00 36.47 O HETATM 1057 O HOH A 180 95.065 77.904 79.094 1.00 46.03 O HETATM 1058 O HOH A 181 106.217 67.005 77.393 1.00 54.82 O HETATM 1059 O HOH A 182 94.447 67.140 54.846 1.00 41.71 O HETATM 1060 O HOH A 183 98.568 77.532 60.168 1.00 69.40 O HETATM 1061 O HOH A 184 85.565 74.183 95.402 1.00 46.99 O END