USER MOD reduce.3.24.130724 H: found=0, std=0, add=1265, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE 23-DEC-97 1A17 TITLE TETRATRICOPEPTIDE REPEATS OF PROTEIN PHOSPHATASE 5 COMPND MOL_ID: 1; COMPND 2 MOLECULE: SERINE/THREONINE PROTEIN PHOSPHATASE 5; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: PROTEIN INTERACTING DOMAIN; COMPND 5 SYNONYM: TETRATRICOPEPTIDE, TRP; COMPND 6 EC: 3.1.3.16; COMPND 7 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 TISSUE: BRAIN; SOURCE 6 GENE: PPP5; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: PT7.7; SOURCE 0 EXPRESSION_SYSTEM_TISSUE: BRAIN; SOURCE 1 EXPRESSION_SYSTEM_PLASMID: PT7.7; SOURCE 2 EXPRESSION_SYSTEM_GENE: PPP5 KEYWDS HYDROLASE, PHOSPHATASE, PROTEIN-PROTEIN INTERACTIONS, TPR, SUPER- KEYWDS 2 HELIX EXPDTA X-RAY DIFFRACTION AUTHOR A.K.DAS,P.T.W.COHEN,D.BARFORD REVDAT 3 13-JUL-11 1A17 1 VERSN REVDAT 2 24-FEB-09 1A17 1 VERSN REVDAT 1 29-APR-98 1A17 0 JRNL AUTH A.K.DAS,P.W.COHEN,D.BARFORD JRNL TITL THE STRUCTURE OF THE TETRATRICOPEPTIDE REPEATS OF PROTEIN JRNL TITL 2 PHOSPHATASE 5: IMPLICATIONS FOR TPR-MEDIATED PROTEIN-PROTEIN JRNL TITL 3 INTERACTIONS. JRNL REF EMBO J. V. 17 1192 1998 JRNL REFN ISSN 0261-4189 JRNL PMID 9482716 JRNL DOI 10.1093/EMBOJ/17.5.1192 REMARK 2 REMARK 2 RESOLUTION. 2.45 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.82 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.45 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 20.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 10000000.000 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0010 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 96.3 REMARK 3 NUMBER OF REFLECTIONS : 7796 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) : 0.201 REMARK 3 FREE R VALUE : 0.298 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 13.400 REMARK 3 FREE R VALUE TEST SET COUNT : 1045 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.010 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 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 : 1281 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 10 REMARK 3 SOLVENT ATOMS : 78 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) : NULL REMARK 3 BOND ANGLES (DEGREES) : NULL 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 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 : PARHCSDX.PRO REMARK 3 PARAMETER FILE 2 : PARAM11.WAT REMARK 3 PARAMETER FILE 3 : PARAM.SULPHATE REMARK 3 PARAMETER FILE 4 : PARAM.SULPHATE REMARK 3 PARAMETER FILE 5 : NULL REMARK 3 TOPOLOGY FILE 1 : TOPHCSDX.PRO REMARK 3 TOPOLOGY FILE 2 : TOPH.WATER REMARK 3 TOPOLOGY FILE 3 : TOP.SULPHATE REMARK 3 TOPOLOGY FILE 4 : TOP.SULPHATE REMARK 3 TOPOLOGY FILE 5 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1A17 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : SEP-97 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SRS REMARK 200 BEAMLINE : PX9.6 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.87 REMARK 200 MONOCHROMATOR : DOUBLE CRYSTAL SI(111) REMARK 200 OPTICS : MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 7832 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.450 REMARK 200 RESOLUTION RANGE LOW (A) : 15.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 2.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 96.8 REMARK 200 DATA REDUNDANCY : 2.900 REMARK 200 R MERGE (I) : 0.07300 REMARK 200 R SYM (I) : 0.07300 REMARK 200 FOR THE DATA SET : 24.4000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.45 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.54 REMARK 200 COMPLETENESS FOR SHELL (%) : 97.6 REMARK 200 DATA REDUNDANCY IN SHELL : 2.90 REMARK 200 R MERGE FOR SHELL (I) : 0.13300 REMARK 200 R SYM FOR SHELL (I) : 0.13300 REMARK 200 FOR SHELL : 3.000 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MIRAS REMARK 200 SOFTWARE USED: SHARP REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 58.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.94 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 1.8 M AMMONIUM SULFATE, 4% MPD, 100 MM REMARK 280 HEPES PH 7.5, 2 MM DTT REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: I 4 2 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z REMARK 290 3555 -Y,X,Z REMARK 290 4555 Y,-X,Z REMARK 290 5555 -X,Y,-Z REMARK 290 6555 X,-Y,-Z REMARK 290 7555 Y,X,-Z REMARK 290 8555 -Y,-X,-Z REMARK 290 9555 X+1/2,Y+1/2,Z+1/2 REMARK 290 10555 -X+1/2,-Y+1/2,Z+1/2 REMARK 290 11555 -Y+1/2,X+1/2,Z+1/2 REMARK 290 12555 Y+1/2,-X+1/2,Z+1/2 REMARK 290 13555 -X+1/2,Y+1/2,-Z+1/2 REMARK 290 14555 X+1/2,-Y+1/2,-Z+1/2 REMARK 290 15555 Y+1/2,X+1/2,-Z+1/2 REMARK 290 16555 -Y+1/2,-X+1/2,-Z+1/2 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 9 1.000000 0.000000 0.000000 45.03000 REMARK 290 SMTRY2 9 0.000000 1.000000 0.000000 45.03000 REMARK 290 SMTRY3 9 0.000000 0.000000 1.000000 52.22500 REMARK 290 SMTRY1 10 -1.000000 0.000000 0.000000 45.03000 REMARK 290 SMTRY2 10 0.000000 -1.000000 0.000000 45.03000 REMARK 290 SMTRY3 10 0.000000 0.000000 1.000000 52.22500 REMARK 290 SMTRY1 11 0.000000 -1.000000 0.000000 45.03000 REMARK 290 SMTRY2 11 1.000000 0.000000 0.000000 45.03000 REMARK 290 SMTRY3 11 0.000000 0.000000 1.000000 52.22500 REMARK 290 SMTRY1 12 0.000000 1.000000 0.000000 45.03000 REMARK 290 SMTRY2 12 -1.000000 0.000000 0.000000 45.03000 REMARK 290 SMTRY3 12 0.000000 0.000000 1.000000 52.22500 REMARK 290 SMTRY1 13 -1.000000 0.000000 0.000000 45.03000 REMARK 290 SMTRY2 13 0.000000 1.000000 0.000000 45.03000 REMARK 290 SMTRY3 13 0.000000 0.000000 -1.000000 52.22500 REMARK 290 SMTRY1 14 1.000000 0.000000 0.000000 45.03000 REMARK 290 SMTRY2 14 0.000000 -1.000000 0.000000 45.03000 REMARK 290 SMTRY3 14 0.000000 0.000000 -1.000000 52.22500 REMARK 290 SMTRY1 15 0.000000 1.000000 0.000000 45.03000 REMARK 290 SMTRY2 15 1.000000 0.000000 0.000000 45.03000 REMARK 290 SMTRY3 15 0.000000 0.000000 -1.000000 52.22500 REMARK 290 SMTRY1 16 0.000000 -1.000000 0.000000 45.03000 REMARK 290 SMTRY2 16 -1.000000 0.000000 0.000000 45.03000 REMARK 290 SMTRY3 16 0.000000 0.000000 -1.000000 52.22500 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TETRAMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC REMARK 350 SOFTWARE USED: PQS REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 2 -1.000000 0.000000 0.000000 180.12000 REMARK 350 BIOMT2 2 0.000000 -1.000000 0.000000 90.06000 REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 3 0.000000 1.000000 0.000000 45.03000 REMARK 350 BIOMT2 3 1.000000 0.000000 0.000000 -45.03000 REMARK 350 BIOMT3 3 0.000000 0.000000 -1.000000 52.22500 REMARK 350 BIOMT1 4 0.000000 -1.000000 0.000000 135.09000 REMARK 350 BIOMT2 4 -1.000000 0.000000 0.000000 135.09000 REMARK 350 BIOMT3 4 0.000000 0.000000 -1.000000 52.22500 REMARK 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 5090 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 16780 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -87.0 KCAL/MOL 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 1.000000 0.000000 45.03000 REMARK 350 BIOMT2 2 1.000000 0.000000 0.000000 -45.03000 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 52.22500 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 ARG A 16 REMARK 465 ASP A 17 REMARK 465 GLU A 18 REMARK 465 GLY A 178 REMARK 465 PRO A 179 REMARK 465 LYS A 180 REMARK 465 LEU A 181 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 PRO A 19 CG CD REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 PRO A 19 N - CA - CB ANGL. DEV. = 7.3 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 PRO A 59 3.07 -61.35 REMARK 500 LYS A 126 69.79 -115.57 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CHIRAL CENTERS REMARK 500 REMARK 500 UNEXPECTED CONFIGURATION OF THE FOLLOWING CHIRAL REMARK 500 CENTER(S) USING IMPROPER CA--C--CB--N CHIRALITY REMARK 500 FOR AMINO ACIDS AND C1'--O4'--N1(N9)--C2' FOR REMARK 500 NUCLEIC ACIDS OR EQUIVALENT ANGLE REMARK 500 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,A1,6X,F5.1,6X,A1,10X,A1,3X,A16) REMARK 500 REMARK 500 M RES CSSEQI IMPROPER EXPECTED FOUND DETAILS REMARK 500 LYS A 94 24.2 L L OUTSIDE RANGE REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 256 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 257 DBREF 1A17 A 16 181 UNP P53041 PPP5_HUMAN 16 181 SEQRES 1 A 166 ARG ASP GLU PRO PRO ALA ASP GLY ALA LEU LYS ARG ALA SEQRES 2 A 166 GLU GLU LEU LYS THR GLN ALA ASN ASP TYR PHE LYS ALA SEQRES 3 A 166 LYS ASP TYR GLU ASN ALA ILE LYS PHE TYR SER GLN ALA SEQRES 4 A 166 ILE GLU LEU ASN PRO SER ASN ALA ILE TYR TYR GLY ASN SEQRES 5 A 166 ARG SER LEU ALA TYR LEU ARG THR GLU CYS TYR GLY TYR SEQRES 6 A 166 ALA LEU GLY ASP ALA THR ARG ALA ILE GLU LEU ASP LYS SEQRES 7 A 166 LYS TYR ILE LYS GLY TYR TYR ARG ARG ALA ALA SER ASN SEQRES 8 A 166 MET ALA LEU GLY LYS PHE ARG ALA ALA LEU ARG ASP TYR SEQRES 9 A 166 GLU THR VAL VAL LYS VAL LYS PRO HIS ASP LYS ASP ALA SEQRES 10 A 166 LYS MET LYS TYR GLN GLU CYS ASN LYS ILE VAL LYS GLN SEQRES 11 A 166 LYS ALA PHE GLU ARG ALA ILE ALA GLY ASP GLU HIS LYS SEQRES 12 A 166 ARG SER VAL VAL ASP SER LEU ASP ILE GLU SER MET THR SEQRES 13 A 166 ILE GLU ASP GLU TYR SER GLY PRO LYS LEU HET SO4 A 256 5 HET SO4 A 257 5 HETNAM SO4 SULFATE ION FORMUL 2 SO4 2(O4 S 2-) FORMUL 4 HOH *78(H2 O) HELIX 1 1 ASP A 22 LYS A 40 1 19 HELIX 2 2 TYR A 44 LEU A 57 1 14 HELIX 3 3 ALA A 62 ARG A 74 1 13 HELIX 4 4 TYR A 78 LEU A 91 1 14 HELIX 5 5 ILE A 96 ALA A 108 1 13 HELIX 6 6 PHE A 112 VAL A 125 1 14 HELIX 7 7 LYS A 130 SER A 164 1 35 CISPEP 1 PRO A 19 PRO A 20 0 0.03 SITE *** AC1 9 LYS A 97 TYR A 100 ARG A 101 MET A 170 SITE *** AC1 9 THR A 171 HOH A 268 HOH A 281 HOH A 301 SITE *** AC1 9 HOH A 308 SITE *** AC2 7 LYS A 111 PHE A 112 ARG A 113 ALA A 114 SITE *** AC2 7 HOH A 302 HOH A 303 HOH A 320 CRYST1 90.060 90.060 104.450 90.00 90.00 90.00 I 4 2 2 16 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 0.011104 0.000000 0.000000 0.00000 SCALE2 0.000000 0.011104 0.000000 0.00000 SCALE3 0.000000 0.000000 0.009574 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 61 ASN : amide:sc= -2.5! C(o=-1.5!,f=-3!) USER MOD Set 1.2: A 64 TYR OH : rot -6:sc= 0.97 USER MOD Set 2.1: A 36 ASN : amide:sc= 0.553 K(o=1.2,f=0.084) USER MOD Set 2.2: A 51 TYR OH : rot 12:sc= 0.659 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 176:sc= 0.899 (180deg=0.888) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0.561 X(o=0.56,f=0.44) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0.718 K(o=0.72,f=-0.77) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 79:sc= 1.16 USER MOD Single : A 53 GLN : amide:sc= -0.467 K(o=-0.47,f=0.64) USER MOD Single : A 58 ASN : amide:sc= -0.6! X(o=-0.6!,f=-0.74) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 1.1 K(o=1.1,f=-1.6!) USER MOD Single : A 69 SER OG : rot 92:sc= 0.815 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -67:sc= 0.01 USER MOD Single : A 77 CYS SG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= -0.229 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 77:sc= 0.52 USER MOD Single : A 93 LYS NZ :NH3+ 166:sc= -0.0298 (180deg=-0.147) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 30:sc= 0.673 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 157:sc= 2.01 USER MOD Single : A 100 TYR OH : rot 15:sc= 1.28 USER MOD Single : A 105 SER OG : rot 71:sc= 1.3 USER MOD Single : A 106 ASN : amide:sc= 1.6 K(o=1.6,f=1!) USER MOD Single : A 107 MET CE :methyl -156:sc= -0.117 (180deg=-0.584) USER MOD Single : A 111 LYS NZ :NH3+ -177:sc= 0.751 (180deg=0.743) USER MOD Single : A 119 TYR OH : rot 7:sc= 1.26 USER MOD Single : A 121 THR OG1 : rot 160:sc= 1.39 USER MOD Single : A 124 LYS NZ :NH3+ -131:sc= 0.205 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 LYS NZ :NH3+ 177:sc= 0.0168 (180deg=0.0159) USER MOD Single : A 133 LYS NZ :NH3+ 177:sc= -0.399! (180deg=-0.675!) USER MOD Single : A 134 MET CE :methyl -162:sc= -0.143 (180deg=-0.218) USER MOD Single : A 135 LYS NZ :NH3+ -112:sc= 0.667 (180deg=0.0131) USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 137 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.16) USER MOD Single : A 139 CYS SG : rot 173:sc= -0.105 USER MOD Single : A 140 ASN : amide:sc= -0.0457 K(o=-0.046,f=-1.5!) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 LYS NZ :NH3+ -166:sc= 0.939 (180deg=0.835) USER MOD Single : A 145 GLN : amide:sc= -0.454 X(o=-0.45,f=-0.49) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 157 HIS : no HD1:sc= 1.06 K(o=1.1,f=-1.8!) USER MOD Single : A 158 LYS NZ :NH3+ 177:sc= 0.251 (180deg=0.249) USER MOD Single : A 160 SER OG : rot 77:sc= 0.0187 USER MOD Single : A 164 SER OG : rot 82:sc= 0.174 USER MOD Single : A 169 SER OG : rot 122:sc= 0.519 USER MOD Single : A 170 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 171 THR OG1 : rot 42:sc= 0.45 USER MOD Single : A 176 TYR OH : rot 180:sc= 0 USER MOD Single : A 177 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 19 65.491 89.150 38.629 1.00 56.41 N ATOM 2 CA PRO A 19 66.147 88.278 37.667 1.00 52.52 C ATOM 3 C PRO A 19 66.153 86.862 38.213 1.00 53.41 C ATOM 4 O PRO A 19 67.122 86.441 38.833 1.00 61.58 O ATOM 5 CB PRO A 19 67.580 88.742 37.410 1.00 50.41 C ATOM 0 HA PRO A 19 65.663 88.307 36.827 1.00 52.52 H new ATOM 6 N PRO A 20 65.017 86.151 38.108 1.00 49.25 N ATOM 7 CA PRO A 20 63.793 86.658 37.505 1.00 44.01 C ATOM 8 C PRO A 20 63.101 87.558 38.508 1.00 38.78 C ATOM 9 O PRO A 20 63.538 87.695 39.655 1.00 37.47 O ATOM 10 CB PRO A 20 62.973 85.383 37.292 1.00 45.46 C ATOM 11 CG PRO A 20 63.989 84.296 37.243 1.00 44.93 C ATOM 12 CD PRO A 20 64.924 84.698 38.323 1.00 48.06 C ATOM 0 HA PRO A 20 63.925 87.168 36.691 1.00 44.01 H new ATOM 0 HB2 PRO A 20 62.341 85.244 38.014 1.00 45.46 H new ATOM 0 HB3 PRO A 20 62.460 85.425 36.470 1.00 45.46 H new ATOM 0 HG2 PRO A 20 63.596 83.425 37.408 1.00 44.93 H new ATOM 0 HG3 PRO A 20 64.430 84.250 36.380 1.00 44.93 H new ATOM 0 HD2 PRO A 20 64.579 84.481 39.203 1.00 48.06 H new ATOM 0 HD3 PRO A 20 65.786 84.261 38.240 1.00 48.06 H new ATOM 13 N ALA A 21 62.040 88.202 38.060 1.00 35.21 N ATOM 14 CA ALA A 21 61.279 89.046 38.946 1.00 35.72 C ATOM 15 C ALA A 21 60.781 88.100 40.036 1.00 35.15 C ATOM 16 O ALA A 21 60.647 86.900 39.797 1.00 35.41 O ATOM 17 CB ALA A 21 60.111 89.648 38.193 1.00 37.86 C ATOM 0 H ALA A 21 61.748 88.163 37.252 1.00 35.21 H new ATOM 0 HA ALA A 21 61.797 89.781 39.308 1.00 35.72 H new ATOM 0 HB1 ALA A 21 59.599 90.216 38.790 1.00 37.86 H new ATOM 0 HB2 ALA A 21 60.442 90.176 37.450 1.00 37.86 H new ATOM 0 HB3 ALA A 21 59.542 88.938 37.856 1.00 37.86 H new ATOM 18 N ASP A 22 60.508 88.619 41.226 1.00 35.29 N ATOM 19 CA ASP A 22 60.025 87.770 42.300 1.00 33.26 C ATOM 20 C ASP A 22 58.829 86.989 41.812 1.00 32.09 C ATOM 21 O ASP A 22 58.530 85.919 42.330 1.00 36.51 O ATOM 22 CB ASP A 22 59.669 88.583 43.549 1.00 34.27 C ATOM 23 CG ASP A 22 60.762 88.538 44.602 1.00 34.79 C ATOM 24 OD1 ASP A 22 61.878 89.031 44.338 1.00 31.89 O ATOM 25 OD2 ASP A 22 60.513 87.973 45.688 1.00 37.52 O ATOM 0 H ASP A 22 60.595 89.450 41.429 1.00 35.29 H new ATOM 0 HA ASP A 22 60.733 87.158 42.554 1.00 33.26 H new ATOM 0 HB2 ASP A 22 59.506 89.505 43.296 1.00 34.27 H new ATOM 0 HB3 ASP A 22 58.844 88.243 43.929 1.00 34.27 H new ATOM 26 N GLY A 23 58.190 87.498 40.768 1.00 31.72 N ATOM 27 CA GLY A 23 57.029 86.838 40.198 1.00 31.06 C ATOM 28 C GLY A 23 57.356 85.579 39.406 1.00 31.02 C ATOM 29 O GLY A 23 56.588 84.617 39.436 1.00 32.96 O ATOM 0 H GLY A 23 58.415 88.229 40.374 1.00 31.72 H new ATOM 0 HA2 GLY A 23 56.416 86.608 40.914 1.00 31.06 H new ATOM 0 HA3 GLY A 23 56.566 87.463 39.618 1.00 31.06 H new ATOM 30 N ALA A 24 58.456 85.587 38.660 1.00 29.66 N ATOM 31 CA ALA A 24 58.838 84.412 37.891 1.00 25.16 C ATOM 32 C ALA A 24 59.395 83.395 38.873 1.00 25.15 C ATOM 33 O ALA A 24 59.169 82.201 38.719 1.00 29.69 O ATOM 34 CB ALA A 24 59.858 84.763 36.843 1.00 24.93 C ATOM 0 H ALA A 24 58.990 86.257 38.587 1.00 29.66 H new ATOM 0 HA ALA A 24 58.071 84.048 37.422 1.00 25.16 H new ATOM 0 HB1 ALA A 24 60.097 83.966 36.344 1.00 24.93 H new ATOM 0 HB2 ALA A 24 59.486 85.424 36.238 1.00 24.93 H new ATOM 0 HB3 ALA A 24 60.650 85.126 37.270 1.00 24.93 H new ATOM 35 N LEU A 25 60.066 83.870 39.916 1.00 24.64 N ATOM 36 CA LEU A 25 60.612 82.981 40.946 1.00 23.13 C ATOM 37 C LEU A 25 59.497 82.228 41.693 1.00 22.10 C ATOM 38 O LEU A 25 59.581 81.018 41.871 1.00 26.43 O ATOM 39 CB LEU A 25 61.505 83.756 41.941 1.00 21.47 C ATOM 40 CG LEU A 25 62.778 84.358 41.317 1.00 21.60 C ATOM 41 CD1 LEU A 25 63.506 85.289 42.232 1.00 20.09 C ATOM 42 CD2 LEU A 25 63.689 83.251 40.919 1.00 24.95 C ATOM 0 H LEU A 25 60.219 84.706 40.050 1.00 24.64 H new ATOM 0 HA LEU A 25 61.163 82.324 40.493 1.00 23.13 H new ATOM 0 HB2 LEU A 25 60.983 84.471 42.338 1.00 21.47 H new ATOM 0 HB3 LEU A 25 61.762 83.159 42.661 1.00 21.47 H new ATOM 0 HG LEU A 25 62.499 84.882 40.550 1.00 21.60 H new ATOM 0 HD11 LEU A 25 64.294 85.633 41.784 1.00 20.09 H new ATOM 0 HD12 LEU A 25 62.924 86.027 42.474 1.00 20.09 H new ATOM 0 HD13 LEU A 25 63.773 84.812 43.034 1.00 20.09 H new ATOM 0 HD21 LEU A 25 64.494 83.620 40.525 1.00 24.95 H new ATOM 0 HD22 LEU A 25 63.923 82.727 41.701 1.00 24.95 H new ATOM 0 HD23 LEU A 25 63.244 82.682 40.271 1.00 24.95 H new ATOM 43 N LYS A 26 58.418 82.917 42.053 1.00 23.25 N ATOM 44 CA LYS A 26 57.328 82.287 42.797 1.00 20.10 C ATOM 45 C LYS A 26 56.494 81.326 41.953 1.00 22.73 C ATOM 46 O LYS A 26 56.085 80.269 42.437 1.00 25.65 O ATOM 47 CB LYS A 26 56.472 83.366 43.452 1.00 23.82 C ATOM 48 CG LYS A 26 55.295 82.882 44.281 1.00 33.78 C ATOM 49 CD LYS A 26 55.687 82.169 45.597 1.00 41.17 C ATOM 50 CE LYS A 26 54.419 81.882 46.453 1.00 44.51 C ATOM 51 NZ LYS A 26 54.550 80.947 47.609 1.00 42.08 N ATOM 0 H LYS A 26 58.296 83.750 41.877 1.00 23.25 H new ATOM 0 HA LYS A 26 57.723 81.731 43.487 1.00 20.10 H new ATOM 0 HB2 LYS A 26 57.044 83.904 44.021 1.00 23.82 H new ATOM 0 HB3 LYS A 26 56.134 83.950 42.756 1.00 23.82 H new ATOM 0 HG2 LYS A 26 54.730 83.641 44.494 1.00 33.78 H new ATOM 0 HG3 LYS A 26 54.763 82.274 43.743 1.00 33.78 H new ATOM 0 HD2 LYS A 26 56.146 81.338 45.398 1.00 41.17 H new ATOM 0 HD3 LYS A 26 56.306 82.721 46.100 1.00 41.17 H new ATOM 0 HE2 LYS A 26 54.092 82.730 46.792 1.00 44.51 H new ATOM 0 HE3 LYS A 26 53.735 81.530 45.862 1.00 44.51 H new ATOM 0 HZ1 LYS A 26 53.763 80.865 48.016 1.00 42.08 H new ATOM 0 HZ2 LYS A 26 54.817 80.150 47.317 1.00 42.08 H new ATOM 0 HZ3 LYS A 26 55.149 81.268 48.184 1.00 42.08 H new ATOM 52 N ARG A 27 56.270 81.656 40.685 1.00 21.67 N ATOM 53 CA ARG A 27 55.489 80.787 39.789 1.00 15.22 C ATOM 54 C ARG A 27 56.296 79.566 39.338 1.00 13.04 C ATOM 55 O ARG A 27 55.737 78.534 38.969 1.00 13.43 O ATOM 56 CB ARG A 27 55.027 81.580 38.569 1.00 16.23 C ATOM 57 CG ARG A 27 54.197 80.789 37.579 1.00 18.92 C ATOM 58 CD ARG A 27 52.795 80.538 38.104 1.00 19.23 C ATOM 59 NE ARG A 27 51.994 79.712 37.203 1.00 20.20 N ATOM 60 CZ ARG A 27 51.491 78.529 37.538 1.00 24.10 C ATOM 61 NH1 ARG A 27 51.708 78.039 38.752 1.00 25.08 N ATOM 62 NH2 ARG A 27 50.799 77.822 36.651 1.00 27.78 N ATOM 0 H ARG A 27 56.559 82.378 40.318 1.00 21.67 H new ATOM 0 HA ARG A 27 54.718 80.468 40.284 1.00 15.22 H new ATOM 0 HB2 ARG A 27 54.509 82.342 38.871 1.00 16.23 H new ATOM 0 HB3 ARG A 27 55.807 81.931 38.112 1.00 16.23 H new ATOM 0 HG2 ARG A 27 54.148 81.271 36.739 1.00 18.92 H new ATOM 0 HG3 ARG A 27 54.631 79.941 37.395 1.00 18.92 H new ATOM 0 HD2 ARG A 27 52.851 80.105 38.970 1.00 19.23 H new ATOM 0 HD3 ARG A 27 52.348 81.388 38.241 1.00 19.23 H new ATOM 0 HE ARG A 27 51.839 80.009 36.411 1.00 20.20 H new ATOM 0 HH11 ARG A 27 52.173 78.487 39.320 1.00 25.08 H new ATOM 0 HH12 ARG A 27 51.383 77.273 38.971 1.00 25.08 H new ATOM 0 HH21 ARG A 27 50.676 78.130 35.858 1.00 27.78 H new ATOM 0 HH22 ARG A 27 50.474 77.056 36.870 1.00 27.78 H new ATOM 63 N ALA A 28 57.617 79.715 39.327 1.00 15.37 N ATOM 64 CA ALA A 28 58.523 78.645 38.938 1.00 15.04 C ATOM 65 C ALA A 28 58.516 77.605 40.051 1.00 20.68 C ATOM 66 O ALA A 28 58.587 76.398 39.799 1.00 24.87 O ATOM 67 CB ALA A 28 59.927 79.201 38.715 1.00 8.13 C ATOM 0 H ALA A 28 58.014 80.446 39.547 1.00 15.37 H new ATOM 0 HA ALA A 28 58.237 78.238 38.105 1.00 15.04 H new ATOM 0 HB1 ALA A 28 60.523 78.481 38.456 1.00 8.13 H new ATOM 0 HB2 ALA A 28 59.903 79.869 38.012 1.00 8.13 H new ATOM 0 HB3 ALA A 28 60.248 79.607 39.535 1.00 8.13 H new ATOM 68 N GLU A 29 58.401 78.083 41.287 1.00 22.70 N ATOM 69 CA GLU A 29 58.352 77.207 42.446 1.00 23.36 C ATOM 70 C GLU A 29 57.014 76.455 42.531 1.00 27.06 C ATOM 71 O GLU A 29 56.952 75.408 43.167 1.00 36.17 O ATOM 72 CB GLU A 29 58.606 77.992 43.736 1.00 20.74 C ATOM 73 CG GLU A 29 58.948 77.126 44.956 1.00 25.42 C ATOM 74 CD GLU A 29 60.207 76.254 44.792 1.00 26.81 C ATOM 75 OE1 GLU A 29 61.069 76.558 43.934 1.00 22.51 O ATOM 76 OE2 GLU A 29 60.334 75.249 45.531 1.00 28.75 O ATOM 0 H GLU A 29 58.350 78.921 41.474 1.00 22.70 H new ATOM 0 HA GLU A 29 59.057 76.549 42.340 1.00 23.36 H new ATOM 0 HB2 GLU A 29 59.333 78.616 43.583 1.00 20.74 H new ATOM 0 HB3 GLU A 29 57.818 78.520 43.940 1.00 20.74 H new ATOM 0 HG2 GLU A 29 59.068 77.705 45.725 1.00 25.42 H new ATOM 0 HG3 GLU A 29 58.193 76.549 45.150 1.00 25.42 H new ATOM 77 N GLU A 30 55.955 76.974 41.901 1.00 25.49 N ATOM 78 CA GLU A 30 54.634 76.319 41.901 1.00 21.21 C ATOM 79 C GLU A 30 54.634 75.214 40.858 1.00 20.29 C ATOM 80 O GLU A 30 54.160 74.097 41.118 1.00 18.49 O ATOM 81 CB GLU A 30 53.521 77.306 41.529 1.00 23.98 C ATOM 82 CG GLU A 30 53.532 78.601 42.329 1.00 27.67 C ATOM 83 CD GLU A 30 52.335 79.487 42.049 1.00 28.76 C ATOM 84 OE1 GLU A 30 51.642 79.294 41.019 1.00 29.65 O ATOM 85 OE2 GLU A 30 52.087 80.379 42.881 1.00 30.67 O ATOM 0 H GLU A 30 55.979 77.713 41.462 1.00 25.49 H new ATOM 0 HA GLU A 30 54.471 75.973 42.792 1.00 21.21 H new ATOM 0 HB2 GLU A 30 53.597 77.521 40.586 1.00 23.98 H new ATOM 0 HB3 GLU A 30 52.663 76.870 41.652 1.00 23.98 H new ATOM 0 HG2 GLU A 30 53.556 78.389 43.275 1.00 27.67 H new ATOM 0 HG3 GLU A 30 54.344 79.092 42.128 1.00 27.67 H new ATOM 86 N LEU A 31 55.100 75.566 39.655 1.00 19.30 N ATOM 87 CA LEU A 31 55.194 74.623 38.545 1.00 19.92 C ATOM 88 C LEU A 31 56.075 73.440 38.941 1.00 20.67 C ATOM 89 O LEU A 31 55.734 72.300 38.640 1.00 22.91 O ATOM 90 CB LEU A 31 55.725 75.318 37.297 1.00 15.44 C ATOM 91 CG LEU A 31 54.671 76.248 36.712 1.00 14.36 C ATOM 92 CD1 LEU A 31 55.292 77.156 35.688 1.00 9.56 C ATOM 93 CD2 LEU A 31 53.548 75.424 36.113 1.00 6.10 C ATOM 0 H LEU A 31 55.370 76.360 39.464 1.00 19.30 H new ATOM 0 HA LEU A 31 54.308 74.286 38.338 1.00 19.92 H new ATOM 0 HB2 LEU A 31 56.523 75.823 37.517 1.00 15.44 H new ATOM 0 HB3 LEU A 31 55.982 74.656 36.636 1.00 15.44 H new ATOM 0 HG LEU A 31 54.301 76.806 37.414 1.00 14.36 H new ATOM 0 HD11 LEU A 31 54.613 77.744 35.322 1.00 9.56 H new ATOM 0 HD12 LEU A 31 55.988 77.687 36.106 1.00 9.56 H new ATOM 0 HD13 LEU A 31 55.677 76.624 34.974 1.00 9.56 H new ATOM 0 HD21 LEU A 31 52.876 76.016 35.740 1.00 6.10 H new ATOM 0 HD22 LEU A 31 53.902 74.855 35.412 1.00 6.10 H new ATOM 0 HD23 LEU A 31 53.146 74.874 36.803 1.00 6.10 H new ATOM 94 N LYS A 32 57.167 73.711 39.664 1.00 21.40 N ATOM 95 CA LYS A 32 58.064 72.657 40.139 1.00 17.95 C ATOM 96 C LYS A 32 57.267 71.713 41.015 1.00 19.22 C ATOM 97 O LYS A 32 57.381 70.504 40.870 1.00 27.59 O ATOM 98 CB LYS A 32 59.212 73.226 40.959 1.00 16.10 C ATOM 99 CG LYS A 32 60.198 72.163 41.430 1.00 17.40 C ATOM 100 CD LYS A 32 60.598 72.364 42.880 1.00 17.61 C ATOM 101 CE LYS A 32 59.424 72.087 43.787 1.00 25.48 C ATOM 102 NZ LYS A 32 59.673 72.535 45.174 1.00 30.73 N ATOM 0 H LYS A 32 57.405 74.506 39.890 1.00 21.40 H new ATOM 0 HA LYS A 32 58.437 72.200 39.369 1.00 17.95 H new ATOM 0 HB2 LYS A 32 59.685 73.885 40.428 1.00 16.10 H new ATOM 0 HB3 LYS A 32 58.852 73.689 41.731 1.00 16.10 H new ATOM 0 HG2 LYS A 32 59.801 71.284 41.323 1.00 17.40 H new ATOM 0 HG3 LYS A 32 60.990 72.186 40.870 1.00 17.40 H new ATOM 0 HD2 LYS A 32 61.335 71.774 43.104 1.00 17.61 H new ATOM 0 HD3 LYS A 32 60.911 73.272 43.013 1.00 17.61 H new ATOM 0 HE2 LYS A 32 58.637 72.535 43.440 1.00 25.48 H new ATOM 0 HE3 LYS A 32 59.233 71.136 43.785 1.00 25.48 H new ATOM 0 HZ1 LYS A 32 58.940 72.408 45.663 1.00 30.73 H new ATOM 0 HZ2 LYS A 32 60.346 72.067 45.521 1.00 30.73 H new ATOM 0 HZ3 LYS A 32 59.883 73.400 45.174 1.00 30.73 H new ATOM 103 N THR A 33 56.443 72.258 41.908 1.00 20.70 N ATOM 104 CA THR A 33 55.613 71.444 42.786 1.00 19.54 C ATOM 105 C THR A 33 54.600 70.668 41.969 1.00 24.38 C ATOM 106 O THR A 33 54.403 69.467 42.215 1.00 24.32 O ATOM 107 CB THR A 33 54.920 72.290 43.846 1.00 22.58 C ATOM 108 OG1 THR A 33 55.899 72.724 44.801 1.00 26.58 O ATOM 109 CG2 THR A 33 53.860 71.483 44.569 1.00 21.63 C ATOM 0 H THR A 33 56.351 73.106 42.020 1.00 20.70 H new ATOM 0 HA THR A 33 56.190 70.817 43.250 1.00 19.54 H new ATOM 0 HB THR A 33 54.497 73.049 43.415 1.00 22.58 H new ATOM 0 HG1 THR A 33 55.527 73.193 45.390 1.00 26.58 H new ATOM 0 HG21 THR A 33 53.431 72.038 45.239 1.00 21.63 H new ATOM 0 HG22 THR A 33 53.197 71.175 43.932 1.00 21.63 H new ATOM 0 HG23 THR A 33 54.273 70.718 45.000 1.00 21.63 H new ATOM 110 N GLN A 34 53.989 71.337 40.980 1.00 25.33 N ATOM 111 CA GLN A 34 53.021 70.694 40.091 1.00 24.82 C ATOM 112 C GLN A 34 53.682 69.468 39.454 1.00 28.08 C ATOM 113 O GLN A 34 53.111 68.367 39.437 1.00 31.26 O ATOM 114 CB GLN A 34 52.554 71.655 38.994 1.00 28.50 C ATOM 115 CG GLN A 34 51.484 72.663 39.442 1.00 36.66 C ATOM 116 CD GLN A 34 50.689 73.261 38.277 1.00 38.88 C ATOM 117 OE1 GLN A 34 50.692 74.486 38.066 1.00 41.71 O ATOM 118 NE2 GLN A 34 49.998 72.408 37.524 1.00 38.46 N ATOM 0 H GLN A 34 54.126 72.169 40.810 1.00 25.33 H new ATOM 0 HA GLN A 34 52.244 70.431 40.608 1.00 24.82 H new ATOM 0 HB2 GLN A 34 53.322 72.144 38.659 1.00 28.50 H new ATOM 0 HB3 GLN A 34 52.203 71.136 38.253 1.00 28.50 H new ATOM 0 HG2 GLN A 34 50.871 72.224 40.052 1.00 36.66 H new ATOM 0 HG3 GLN A 34 51.911 73.380 39.936 1.00 36.66 H new ATOM 0 HE21 GLN A 34 50.019 71.566 37.699 1.00 38.46 H new ATOM 0 HE22 GLN A 34 49.531 72.699 36.863 1.00 38.46 H new ATOM 119 N ALA A 35 54.914 69.666 38.983 1.00 23.89 N ATOM 120 CA ALA A 35 55.703 68.628 38.359 1.00 16.95 C ATOM 121 C ALA A 35 55.941 67.492 39.346 1.00 19.92 C ATOM 122 O ALA A 35 55.738 66.330 38.993 1.00 24.84 O ATOM 123 CB ALA A 35 57.001 69.196 37.896 1.00 11.53 C ATOM 0 H ALA A 35 55.315 70.426 39.022 1.00 23.89 H new ATOM 0 HA ALA A 35 55.224 68.276 37.593 1.00 16.95 H new ATOM 0 HB1 ALA A 35 57.529 68.498 37.478 1.00 11.53 H new ATOM 0 HB2 ALA A 35 56.834 69.904 37.254 1.00 11.53 H new ATOM 0 HB3 ALA A 35 57.486 69.557 38.655 1.00 11.53 H new ATOM 124 N ASN A 36 56.331 67.817 40.581 1.00 18.32 N ATOM 125 CA ASN A 36 56.596 66.793 41.602 1.00 16.57 C ATOM 126 C ASN A 36 55.388 65.927 41.836 1.00 19.64 C ATOM 127 O ASN A 36 55.498 64.718 42.052 1.00 23.99 O ATOM 128 CB ASN A 36 56.991 67.397 42.943 1.00 12.76 C ATOM 129 CG ASN A 36 58.382 67.959 42.945 1.00 12.98 C ATOM 130 OD1 ASN A 36 59.110 67.854 41.958 1.00 15.14 O ATOM 131 ND2 ASN A 36 58.762 68.580 44.059 1.00 16.15 N ATOM 0 H ASN A 36 56.449 68.625 40.850 1.00 18.32 H new ATOM 0 HA ASN A 36 57.333 66.266 41.254 1.00 16.57 H new ATOM 0 HB2 ASN A 36 56.363 68.100 43.173 1.00 12.76 H new ATOM 0 HB3 ASN A 36 56.921 66.717 43.632 1.00 12.76 H new ATOM 0 HD21 ASN A 36 59.546 68.929 44.110 1.00 16.15 H new ATOM 0 HD22 ASN A 36 58.223 68.632 44.727 1.00 16.15 H new ATOM 132 N ASP A 37 54.233 66.561 41.860 1.00 19.56 N ATOM 133 CA ASP A 37 53.022 65.831 42.061 1.00 18.67 C ATOM 134 C ASP A 37 52.938 64.827 40.956 1.00 22.65 C ATOM 135 O ASP A 37 52.859 63.627 41.205 1.00 26.67 O ATOM 136 CB ASP A 37 51.847 66.782 41.990 1.00 22.34 C ATOM 137 CG ASP A 37 51.710 67.612 43.236 1.00 26.50 C ATOM 138 OD1 ASP A 37 52.510 67.420 44.193 1.00 26.00 O ATOM 139 OD2 ASP A 37 50.782 68.452 43.257 1.00 31.62 O ATOM 0 H ASP A 37 54.137 67.410 41.762 1.00 19.56 H new ATOM 0 HA ASP A 37 53.008 65.394 42.927 1.00 18.67 H new ATOM 0 HB2 ASP A 37 51.953 67.367 41.224 1.00 22.34 H new ATOM 0 HB3 ASP A 37 51.032 66.276 41.850 1.00 22.34 H new ATOM 140 N TYR A 38 53.003 65.323 39.725 1.00 25.26 N ATOM 141 CA TYR A 38 52.925 64.463 38.558 1.00 25.77 C ATOM 142 C TYR A 38 54.002 63.374 38.605 1.00 26.76 C ATOM 143 O TYR A 38 53.761 62.232 38.214 1.00 33.91 O ATOM 144 CB TYR A 38 53.013 65.294 37.279 1.00 26.26 C ATOM 145 CG TYR A 38 51.694 65.959 36.852 1.00 29.10 C ATOM 146 CD1 TYR A 38 50.560 65.187 36.548 1.00 29.83 C ATOM 147 CD2 TYR A 38 51.599 67.354 36.686 1.00 27.82 C ATOM 148 CE1 TYR A 38 49.368 65.789 36.076 1.00 29.93 C ATOM 149 CE2 TYR A 38 50.411 67.963 36.216 1.00 26.58 C ATOM 150 CZ TYR A 38 49.303 67.175 35.910 1.00 29.99 C ATOM 151 OH TYR A 38 48.133 67.749 35.440 1.00 30.16 O ATOM 0 H TYR A 38 53.093 66.160 39.547 1.00 25.26 H new ATOM 0 HA TYR A 38 52.065 64.014 38.561 1.00 25.77 H new ATOM 0 HB2 TYR A 38 53.684 65.984 37.402 1.00 26.26 H new ATOM 0 HB3 TYR A 38 53.322 64.723 36.558 1.00 26.26 H new ATOM 0 HD1 TYR A 38 50.593 64.264 36.659 1.00 29.83 H new ATOM 0 HD2 TYR A 38 52.333 67.887 36.890 1.00 27.82 H new ATOM 0 HE1 TYR A 38 48.628 65.262 35.876 1.00 29.93 H new ATOM 0 HE2 TYR A 38 50.370 68.886 36.112 1.00 26.58 H new ATOM 0 HH TYR A 38 48.230 68.582 35.389 1.00 30.16 H new ATOM 152 N PHE A 39 55.163 63.702 39.148 1.00 24.68 N ATOM 153 CA PHE A 39 56.244 62.722 39.258 1.00 22.62 C ATOM 154 C PHE A 39 55.872 61.585 40.220 1.00 23.80 C ATOM 155 O PHE A 39 55.908 60.411 39.846 1.00 21.91 O ATOM 156 CB PHE A 39 57.545 63.391 39.726 1.00 19.17 C ATOM 157 CG PHE A 39 58.732 62.468 39.747 1.00 17.45 C ATOM 158 CD1 PHE A 39 59.022 61.713 40.875 1.00 17.64 C ATOM 159 CD2 PHE A 39 59.567 62.358 38.633 1.00 18.66 C ATOM 160 CE1 PHE A 39 60.121 60.863 40.901 1.00 17.05 C ATOM 161 CE2 PHE A 39 60.676 61.510 38.646 1.00 14.57 C ATOM 162 CZ PHE A 39 60.953 60.762 39.783 1.00 16.33 C ATOM 0 H PHE A 39 55.350 64.482 39.459 1.00 24.68 H new ATOM 0 HA PHE A 39 56.382 62.346 38.375 1.00 22.62 H new ATOM 0 HB2 PHE A 39 57.740 64.141 39.143 1.00 19.17 H new ATOM 0 HB3 PHE A 39 57.411 63.751 40.617 1.00 19.17 H new ATOM 0 HD1 PHE A 39 58.474 61.777 41.623 1.00 17.64 H new ATOM 0 HD2 PHE A 39 59.381 62.857 37.871 1.00 18.66 H new ATOM 0 HE1 PHE A 39 60.303 60.361 41.663 1.00 17.05 H new ATOM 0 HE2 PHE A 39 61.226 61.446 37.898 1.00 14.57 H new ATOM 0 HZ PHE A 39 61.690 60.195 39.800 1.00 16.33 H new ATOM 163 N LYS A 40 55.524 61.930 41.460 1.00 23.30 N ATOM 164 CA LYS A 40 55.158 60.934 42.446 1.00 22.72 C ATOM 165 C LYS A 40 53.952 60.081 42.051 1.00 23.30 C ATOM 166 O LYS A 40 53.783 58.971 42.563 1.00 23.90 O ATOM 167 CB LYS A 40 55.009 61.579 43.820 1.00 26.01 C ATOM 168 CG LYS A 40 56.387 61.905 44.426 1.00 28.82 C ATOM 169 CD LYS A 40 56.331 62.722 45.710 1.00 31.47 C ATOM 170 CE LYS A 40 55.900 64.146 45.445 1.00 30.57 C ATOM 171 NZ LYS A 40 56.038 65.004 46.654 1.00 34.25 N ATOM 0 H LYS A 40 55.496 62.741 41.744 1.00 23.30 H new ATOM 0 HA LYS A 40 55.888 60.297 42.490 1.00 22.72 H new ATOM 0 HB2 LYS A 40 54.484 62.391 43.745 1.00 26.01 H new ATOM 0 HB3 LYS A 40 54.525 60.982 44.411 1.00 26.01 H new ATOM 0 HG2 LYS A 40 56.855 61.074 44.604 1.00 28.82 H new ATOM 0 HG3 LYS A 40 56.911 62.390 43.769 1.00 28.82 H new ATOM 0 HD2 LYS A 40 55.713 62.307 46.332 1.00 31.47 H new ATOM 0 HD3 LYS A 40 57.204 62.721 46.133 1.00 31.47 H new ATOM 0 HE2 LYS A 40 56.433 64.516 44.724 1.00 30.57 H new ATOM 0 HE3 LYS A 40 54.977 64.154 45.147 1.00 30.57 H new ATOM 0 HZ1 LYS A 40 55.776 65.833 46.462 1.00 34.25 H new ATOM 0 HZ2 LYS A 40 55.532 64.678 47.309 1.00 34.25 H new ATOM 0 HZ3 LYS A 40 56.889 65.015 46.915 1.00 34.25 H new ATOM 172 N ALA A 41 53.175 60.567 41.081 1.00 24.33 N ATOM 173 CA ALA A 41 52.009 59.860 40.554 1.00 26.86 C ATOM 174 C ALA A 41 52.337 59.112 39.241 1.00 29.16 C ATOM 175 O ALA A 41 51.443 58.733 38.474 1.00 26.43 O ATOM 176 CB ALA A 41 50.863 60.833 40.343 1.00 27.04 C ATOM 0 H ALA A 41 53.314 61.328 40.706 1.00 24.33 H new ATOM 0 HA ALA A 41 51.744 59.193 41.207 1.00 26.86 H new ATOM 0 HB1 ALA A 41 50.094 60.356 39.993 1.00 27.04 H new ATOM 0 HB2 ALA A 41 50.630 61.247 41.189 1.00 27.04 H new ATOM 0 HB3 ALA A 41 51.132 61.518 39.712 1.00 27.04 H new ATOM 177 N LYS A 42 53.635 58.955 38.977 1.00 31.23 N ATOM 178 CA LYS A 42 54.168 58.237 37.809 1.00 29.17 C ATOM 179 C LYS A 42 53.863 58.848 36.440 1.00 27.06 C ATOM 180 O LYS A 42 54.082 58.205 35.398 1.00 25.19 O ATOM 181 CB LYS A 42 53.716 56.762 37.823 1.00 34.49 C ATOM 182 CG LYS A 42 53.857 56.022 39.158 1.00 35.28 C ATOM 183 CD LYS A 42 55.296 55.921 39.616 1.00 41.41 C ATOM 184 CE LYS A 42 55.403 55.050 40.865 1.00 44.58 C ATOM 185 NZ LYS A 42 56.815 54.931 41.333 1.00 47.02 N ATOM 0 H LYS A 42 54.251 59.272 39.487 1.00 31.23 H new ATOM 0 HA LYS A 42 55.129 58.314 37.912 1.00 29.17 H new ATOM 0 HB2 LYS A 42 52.785 56.726 37.552 1.00 34.49 H new ATOM 0 HB3 LYS A 42 54.226 56.281 37.153 1.00 34.49 H new ATOM 0 HG2 LYS A 42 53.337 56.481 39.836 1.00 35.28 H new ATOM 0 HG3 LYS A 42 53.485 55.130 39.071 1.00 35.28 H new ATOM 0 HD2 LYS A 42 55.841 55.546 38.906 1.00 41.41 H new ATOM 0 HD3 LYS A 42 55.644 56.807 39.803 1.00 41.41 H new ATOM 0 HE2 LYS A 42 54.858 55.429 41.572 1.00 44.58 H new ATOM 0 HE3 LYS A 42 55.049 54.167 40.676 1.00 44.58 H new ATOM 0 HZ1 LYS A 42 56.845 54.419 42.060 1.00 47.02 H new ATOM 0 HZ2 LYS A 42 57.311 54.564 40.692 1.00 47.02 H new ATOM 0 HZ3 LYS A 42 57.133 55.739 41.527 1.00 47.02 H new ATOM 186 N ASP A 43 53.376 60.085 36.424 1.00 25.84 N ATOM 187 CA ASP A 43 53.062 60.727 35.160 1.00 22.67 C ATOM 188 C ASP A 43 54.255 61.536 34.708 1.00 23.76 C ATOM 189 O ASP A 43 54.269 62.762 34.809 1.00 23.77 O ATOM 190 CB ASP A 43 51.853 61.625 35.296 1.00 25.22 C ATOM 191 CG ASP A 43 51.451 62.238 33.990 1.00 25.70 C ATOM 192 OD1 ASP A 43 52.051 61.878 32.965 1.00 26.47 O ATOM 193 OD2 ASP A 43 50.529 63.071 33.982 1.00 26.09 O ATOM 0 H ASP A 43 53.223 60.561 37.124 1.00 25.84 H new ATOM 0 HA ASP A 43 52.857 60.044 34.503 1.00 22.67 H new ATOM 0 HB2 ASP A 43 51.111 61.113 35.653 1.00 25.22 H new ATOM 0 HB3 ASP A 43 52.045 62.328 35.936 1.00 25.22 H new ATOM 194 N TYR A 44 55.229 60.834 34.142 1.00 25.57 N ATOM 195 CA TYR A 44 56.467 61.439 33.687 1.00 19.70 C ATOM 196 C TYR A 44 56.298 62.435 32.583 1.00 20.68 C ATOM 197 O TYR A 44 56.885 63.495 32.659 1.00 27.58 O ATOM 198 CB TYR A 44 57.475 60.375 33.308 1.00 17.71 C ATOM 199 CG TYR A 44 57.713 59.396 34.434 1.00 16.12 C ATOM 200 CD1 TYR A 44 58.034 59.852 35.705 1.00 14.41 C ATOM 201 CD2 TYR A 44 57.549 58.012 34.244 1.00 13.53 C ATOM 202 CE1 TYR A 44 58.176 58.970 36.767 1.00 13.26 C ATOM 203 CE2 TYR A 44 57.691 57.118 35.303 1.00 6.56 C ATOM 204 CZ TYR A 44 58.000 57.606 36.557 1.00 11.61 C ATOM 205 OH TYR A 44 58.121 56.753 37.634 1.00 14.67 O ATOM 0 H TYR A 44 55.187 59.985 34.011 1.00 25.57 H new ATOM 0 HA TYR A 44 56.803 61.947 34.442 1.00 19.70 H new ATOM 0 HB2 TYR A 44 57.160 59.896 32.525 1.00 17.71 H new ATOM 0 HB3 TYR A 44 58.314 60.797 33.064 1.00 17.71 H new ATOM 0 HD1 TYR A 44 58.156 60.763 35.847 1.00 14.41 H new ATOM 0 HD2 TYR A 44 57.342 57.688 33.397 1.00 13.53 H new ATOM 0 HE1 TYR A 44 58.388 59.289 37.615 1.00 13.26 H new ATOM 0 HE2 TYR A 44 57.579 56.205 35.167 1.00 6.56 H new ATOM 0 HH TYR A 44 57.993 55.962 37.381 1.00 14.67 H new ATOM 206 N GLU A 45 55.493 62.122 31.577 1.00 20.15 N ATOM 207 CA GLU A 45 55.266 63.058 30.480 1.00 21.35 C ATOM 208 C GLU A 45 54.891 64.425 31.021 1.00 22.86 C ATOM 209 O GLU A 45 55.424 65.433 30.576 1.00 27.54 O ATOM 210 CB GLU A 45 54.157 62.564 29.578 1.00 27.47 C ATOM 211 CG GLU A 45 53.190 61.639 30.288 1.00 38.81 C ATOM 212 CD GLU A 45 51.766 61.785 29.787 1.00 45.97 C ATOM 213 OE1 GLU A 45 51.604 62.092 28.580 1.00 48.50 O ATOM 214 OE2 GLU A 45 50.816 61.606 30.595 1.00 46.63 O ATOM 0 H GLU A 45 55.069 61.377 31.508 1.00 20.15 H new ATOM 0 HA GLU A 45 56.088 63.125 29.970 1.00 21.35 H new ATOM 0 HB2 GLU A 45 53.670 63.325 29.225 1.00 27.47 H new ATOM 0 HB3 GLU A 45 54.545 62.099 28.820 1.00 27.47 H new ATOM 0 HG2 GLU A 45 53.479 60.721 30.167 1.00 38.81 H new ATOM 0 HG3 GLU A 45 53.214 61.821 31.240 1.00 38.81 H new ATOM 215 N ASN A 46 54.015 64.465 32.019 1.00 21.37 N ATOM 216 CA ASN A 46 53.610 65.751 32.598 1.00 21.03 C ATOM 217 C ASN A 46 54.664 66.327 33.536 1.00 15.94 C ATOM 218 O ASN A 46 54.877 67.523 33.560 1.00 20.84 O ATOM 219 CB ASN A 46 52.249 65.668 33.305 1.00 23.35 C ATOM 220 CG ASN A 46 51.075 66.069 32.401 1.00 25.69 C ATOM 221 OD1 ASN A 46 51.163 67.029 31.627 1.00 28.34 O ATOM 222 ND2 ASN A 46 49.950 65.363 32.535 1.00 27.37 N ATOM 0 H ASN A 46 53.646 63.774 32.374 1.00 21.37 H new ATOM 0 HA ASN A 46 53.520 66.359 31.848 1.00 21.03 H new ATOM 0 HB2 ASN A 46 52.111 64.762 33.623 1.00 23.35 H new ATOM 0 HB3 ASN A 46 52.260 66.244 34.085 1.00 23.35 H new ATOM 0 HD21 ASN A 46 49.254 65.571 32.074 1.00 27.37 H new ATOM 0 HD22 ASN A 46 49.921 64.700 33.082 1.00 27.37 H new ATOM 223 N ALA A 47 55.336 65.489 34.304 1.00 13.84 N ATOM 224 CA ALA A 47 56.384 65.992 35.188 1.00 11.39 C ATOM 225 C ALA A 47 57.479 66.708 34.381 1.00 14.22 C ATOM 226 O ALA A 47 57.991 67.752 34.808 1.00 19.60 O ATOM 227 CB ALA A 47 56.981 64.867 35.958 1.00 12.42 C ATOM 0 H ALA A 47 55.208 64.639 34.333 1.00 13.84 H new ATOM 0 HA ALA A 47 55.987 66.629 35.803 1.00 11.39 H new ATOM 0 HB1 ALA A 47 57.676 65.208 36.543 1.00 12.42 H new ATOM 0 HB2 ALA A 47 56.293 64.438 36.490 1.00 12.42 H new ATOM 0 HB3 ALA A 47 57.364 64.221 35.344 1.00 12.42 H new ATOM 228 N ILE A 48 57.824 66.153 33.217 1.00 10.20 N ATOM 229 CA ILE A 48 58.839 66.725 32.341 1.00 8.03 C ATOM 230 C ILE A 48 58.326 68.035 31.792 1.00 12.43 C ATOM 231 O ILE A 48 59.061 69.027 31.775 1.00 15.51 O ATOM 232 CB ILE A 48 59.193 65.774 31.199 1.00 7.21 C ATOM 233 CG1 ILE A 48 60.003 64.605 31.740 1.00 6.96 C ATOM 234 CG2 ILE A 48 60.051 66.460 30.152 1.00 10.67 C ATOM 235 CD1 ILE A 48 60.183 63.519 30.734 1.00 4.09 C ATOM 0 H ILE A 48 57.471 65.429 32.915 1.00 10.20 H new ATOM 0 HA ILE A 48 59.649 66.873 32.854 1.00 8.03 H new ATOM 0 HB ILE A 48 58.359 65.479 30.801 1.00 7.21 H new ATOM 0 HG12 ILE A 48 60.873 64.924 32.026 1.00 6.96 H new ATOM 0 HG13 ILE A 48 59.561 64.245 32.524 1.00 6.96 H new ATOM 0 HG21 ILE A 48 60.259 65.833 29.442 1.00 10.67 H new ATOM 0 HG22 ILE A 48 59.569 67.217 29.783 1.00 10.67 H new ATOM 0 HG23 ILE A 48 60.875 66.770 30.560 1.00 10.67 H new ATOM 0 HD11 ILE A 48 60.703 62.799 31.124 1.00 4.09 H new ATOM 0 HD12 ILE A 48 59.315 63.180 30.464 1.00 4.09 H new ATOM 0 HD13 ILE A 48 60.648 63.870 29.958 1.00 4.09 H new ATOM 236 N LYS A 49 57.059 68.043 31.371 1.00 15.96 N ATOM 237 CA LYS A 49 56.398 69.245 30.855 1.00 13.33 C ATOM 238 C LYS A 49 56.475 70.391 31.866 1.00 16.94 C ATOM 239 O LYS A 49 56.750 71.527 31.494 1.00 18.55 O ATOM 240 CB LYS A 49 54.929 68.957 30.558 1.00 16.24 C ATOM 241 CG LYS A 49 54.077 70.190 30.281 1.00 16.00 C ATOM 242 CD LYS A 49 52.586 69.854 30.302 1.00 17.46 C ATOM 243 CE LYS A 49 51.731 71.107 30.109 1.00 22.31 C ATOM 244 NZ LYS A 49 50.282 70.853 29.736 1.00 21.73 N ATOM 0 H LYS A 49 56.555 67.346 31.377 1.00 15.96 H new ATOM 0 HA LYS A 49 56.857 69.504 30.041 1.00 13.33 H new ATOM 0 HB2 LYS A 49 54.878 68.365 29.791 1.00 16.24 H new ATOM 0 HB3 LYS A 49 54.548 68.479 31.311 1.00 16.24 H new ATOM 0 HG2 LYS A 49 54.266 70.872 30.945 1.00 16.00 H new ATOM 0 HG3 LYS A 49 54.314 70.562 29.417 1.00 16.00 H new ATOM 0 HD2 LYS A 49 52.387 69.213 29.602 1.00 17.46 H new ATOM 0 HD3 LYS A 49 52.359 69.432 31.145 1.00 17.46 H new ATOM 0 HE2 LYS A 49 51.752 71.625 30.929 1.00 22.31 H new ATOM 0 HE3 LYS A 49 52.136 71.654 29.418 1.00 22.31 H new ATOM 0 HZ1 LYS A 49 49.858 71.630 29.643 1.00 21.73 H new ATOM 0 HZ2 LYS A 49 50.247 70.403 28.969 1.00 21.73 H new ATOM 0 HZ3 LYS A 49 49.889 70.376 30.377 1.00 21.73 H new ATOM 245 N PHE A 50 56.270 70.096 33.147 1.00 15.21 N ATOM 246 CA PHE A 50 56.313 71.142 34.155 1.00 14.48 C ATOM 247 C PHE A 50 57.661 71.524 34.717 1.00 15.77 C ATOM 248 O PHE A 50 57.822 72.665 35.153 1.00 19.42 O ATOM 249 CB PHE A 50 55.264 70.917 35.235 1.00 17.76 C ATOM 250 CG PHE A 50 53.868 71.154 34.741 1.00 16.76 C ATOM 251 CD1 PHE A 50 53.523 72.383 34.193 1.00 16.32 C ATOM 252 CD2 PHE A 50 52.941 70.121 34.703 1.00 14.08 C ATOM 253 CE1 PHE A 50 52.281 72.585 33.607 1.00 18.95 C ATOM 254 CE2 PHE A 50 51.696 70.311 34.121 1.00 19.42 C ATOM 255 CZ PHE A 50 51.364 71.547 33.565 1.00 19.06 C ATOM 0 H PHE A 50 56.107 69.307 33.447 1.00 15.21 H new ATOM 0 HA PHE A 50 56.087 71.940 33.651 1.00 14.48 H new ATOM 0 HB2 PHE A 50 55.336 70.008 35.567 1.00 17.76 H new ATOM 0 HB3 PHE A 50 55.443 71.507 35.983 1.00 17.76 H new ATOM 0 HD1 PHE A 50 54.135 73.083 34.219 1.00 16.32 H new ATOM 0 HD2 PHE A 50 53.157 69.295 35.071 1.00 14.08 H new ATOM 0 HE1 PHE A 50 52.065 73.414 33.244 1.00 18.95 H new ATOM 0 HE2 PHE A 50 51.082 69.613 34.101 1.00 19.42 H new ATOM 0 HZ PHE A 50 50.532 71.673 33.169 1.00 19.06 H new ATOM 256 N TYR A 51 58.635 70.614 34.733 1.00 13.51 N ATOM 257 CA TYR A 51 59.967 71.026 35.184 1.00 9.57 C ATOM 258 C TYR A 51 60.469 71.969 34.128 1.00 9.99 C ATOM 259 O TYR A 51 61.134 72.929 34.449 1.00 19.20 O ATOM 260 CB TYR A 51 60.941 69.880 35.287 1.00 10.03 C ATOM 261 CG TYR A 51 60.646 68.984 36.442 1.00 9.57 C ATOM 262 CD1 TYR A 51 60.481 69.497 37.723 1.00 9.52 C ATOM 263 CD2 TYR A 51 60.531 67.622 36.259 1.00 8.55 C ATOM 264 CE1 TYR A 51 60.213 68.656 38.795 1.00 10.82 C ATOM 265 CE2 TYR A 51 60.260 66.778 37.318 1.00 9.69 C ATOM 266 CZ TYR A 51 60.106 67.296 38.572 1.00 10.05 C ATOM 267 OH TYR A 51 59.856 66.437 39.591 1.00 10.08 O ATOM 0 H TYR A 51 58.555 69.790 34.499 1.00 13.51 H new ATOM 0 HA TYR A 51 59.900 71.415 36.070 1.00 9.57 H new ATOM 0 HB2 TYR A 51 60.917 69.364 34.466 1.00 10.03 H new ATOM 0 HB3 TYR A 51 61.841 70.231 35.375 1.00 10.03 H new ATOM 0 HD1 TYR A 51 60.551 70.414 37.864 1.00 9.52 H new ATOM 0 HD2 TYR A 51 60.638 67.265 35.407 1.00 8.55 H new ATOM 0 HE1 TYR A 51 60.107 69.003 39.651 1.00 10.82 H new ATOM 0 HE2 TYR A 51 60.183 65.862 37.178 1.00 9.69 H new ATOM 0 HH TYR A 51 59.627 66.870 40.273 1.00 10.08 H new ATOM 268 N SER A 52 60.090 71.736 32.873 1.00 8.49 N ATOM 269 CA SER A 52 60.504 72.605 31.772 1.00 8.35 C ATOM 270 C SER A 52 60.008 74.041 31.893 1.00 10.20 C ATOM 271 O SER A 52 60.755 74.974 31.610 1.00 12.78 O ATOM 272 CB SER A 52 60.058 72.031 30.428 1.00 7.91 C ATOM 273 OG SER A 52 60.679 70.782 30.178 1.00 10.05 O ATOM 0 H SER A 52 59.591 71.077 32.637 1.00 8.49 H new ATOM 0 HA SER A 52 61.472 72.635 31.823 1.00 8.35 H new ATOM 0 HB2 SER A 52 59.094 71.924 30.422 1.00 7.91 H new ATOM 0 HB3 SER A 52 60.278 72.654 29.717 1.00 7.91 H new ATOM 0 HG SER A 52 60.288 70.182 30.617 1.00 10.05 H new ATOM 274 N GLN A 53 58.749 74.231 32.292 1.00 13.18 N ATOM 275 CA GLN A 53 58.179 75.579 32.440 1.00 12.08 C ATOM 276 C GLN A 53 58.879 76.326 33.560 1.00 13.00 C ATOM 277 O GLN A 53 59.117 77.524 33.458 1.00 17.37 O ATOM 278 CB GLN A 53 56.683 75.521 32.720 1.00 12.30 C ATOM 279 CG GLN A 53 55.822 75.316 31.492 1.00 18.84 C ATOM 280 CD GLN A 53 54.363 75.075 31.854 1.00 24.55 C ATOM 281 OE1 GLN A 53 53.667 74.287 31.203 1.00 27.59 O ATOM 282 NE2 GLN A 53 53.903 75.739 32.900 1.00 26.19 N ATOM 0 H GLN A 53 58.205 73.593 32.483 1.00 13.18 H new ATOM 0 HA GLN A 53 58.315 76.050 31.603 1.00 12.08 H new ATOM 0 HB2 GLN A 53 56.510 74.800 33.346 1.00 12.30 H new ATOM 0 HB3 GLN A 53 56.415 76.345 33.155 1.00 12.30 H new ATOM 0 HG2 GLN A 53 55.888 76.095 30.918 1.00 18.84 H new ATOM 0 HG3 GLN A 53 56.158 74.561 30.985 1.00 18.84 H new ATOM 0 HE21 GLN A 53 54.418 76.279 33.327 1.00 26.19 H new ATOM 0 HE22 GLN A 53 53.088 75.631 33.153 1.00 26.19 H new ATOM 283 N ALA A 54 59.177 75.606 34.634 1.00 14.81 N ATOM 284 CA ALA A 54 59.878 76.155 35.788 1.00 13.29 C ATOM 285 C ALA A 54 61.277 76.563 35.337 1.00 14.35 C ATOM 286 O ALA A 54 61.849 77.530 35.838 1.00 16.41 O ATOM 287 CB ALA A 54 59.969 75.102 36.885 1.00 8.03 C ATOM 0 H ALA A 54 58.975 74.774 34.715 1.00 14.81 H new ATOM 0 HA ALA A 54 59.402 76.923 36.140 1.00 13.29 H new ATOM 0 HB1 ALA A 54 60.436 75.472 37.651 1.00 8.03 H new ATOM 0 HB2 ALA A 54 59.076 74.833 37.151 1.00 8.03 H new ATOM 0 HB3 ALA A 54 60.453 74.330 36.553 1.00 8.03 H new ATOM 288 N ILE A 55 61.838 75.815 34.395 1.00 13.33 N ATOM 289 CA ILE A 55 63.166 76.133 33.908 1.00 13.24 C ATOM 290 C ILE A 55 63.120 77.345 32.996 1.00 17.90 C ATOM 291 O ILE A 55 64.039 78.150 33.016 1.00 22.98 O ATOM 292 CB ILE A 55 63.828 74.931 33.202 1.00 11.02 C ATOM 293 CG1 ILE A 55 64.262 73.892 34.262 1.00 10.41 C ATOM 294 CG2 ILE A 55 64.994 75.410 32.310 1.00 6.19 C ATOM 295 CD1 ILE A 55 64.671 72.509 33.720 1.00 6.92 C ATOM 0 H ILE A 55 61.470 75.128 34.031 1.00 13.33 H new ATOM 0 HA ILE A 55 63.717 76.346 34.678 1.00 13.24 H new ATOM 0 HB ILE A 55 63.194 74.495 32.611 1.00 11.02 H new ATOM 0 HG12 ILE A 55 65.008 74.258 34.762 1.00 10.41 H new ATOM 0 HG13 ILE A 55 63.532 73.771 34.889 1.00 10.41 H new ATOM 0 HG21 ILE A 55 65.402 74.646 31.872 1.00 6.19 H new ATOM 0 HG22 ILE A 55 64.657 76.025 31.640 1.00 6.19 H new ATOM 0 HG23 ILE A 55 65.657 75.860 32.857 1.00 6.19 H new ATOM 0 HD11 ILE A 55 64.924 71.934 34.459 1.00 6.92 H new ATOM 0 HD12 ILE A 55 63.924 72.114 33.244 1.00 6.92 H new ATOM 0 HD13 ILE A 55 65.423 72.608 33.115 1.00 6.92 H new ATOM 296 N GLU A 56 62.048 77.501 32.220 1.00 21.47 N ATOM 297 CA GLU A 56 61.941 78.651 31.331 1.00 26.12 C ATOM 298 C GLU A 56 61.957 79.941 32.140 1.00 25.84 C ATOM 299 O GLU A 56 62.570 80.921 31.719 1.00 28.12 O ATOM 300 CB GLU A 56 60.660 78.614 30.488 1.00 33.57 C ATOM 301 CG GLU A 56 60.356 77.280 29.772 1.00 45.23 C ATOM 302 CD GLU A 56 61.529 76.678 28.979 1.00 51.16 C ATOM 303 OE1 GLU A 56 61.742 77.082 27.812 1.00 54.96 O ATOM 304 OE2 GLU A 56 62.210 75.760 29.505 1.00 53.84 O ATOM 0 H GLU A 56 61.381 76.959 32.194 1.00 21.47 H new ATOM 0 HA GLU A 56 62.703 78.617 30.731 1.00 26.12 H new ATOM 0 HB2 GLU A 56 59.910 78.830 31.064 1.00 33.57 H new ATOM 0 HB3 GLU A 56 60.715 79.314 29.819 1.00 33.57 H new ATOM 0 HG2 GLU A 56 60.067 76.633 30.434 1.00 45.23 H new ATOM 0 HG3 GLU A 56 59.612 77.418 29.166 1.00 45.23 H new ATOM 305 N LEU A 57 61.300 79.925 33.301 1.00 22.69 N ATOM 306 CA LEU A 57 61.200 81.091 34.184 1.00 19.48 C ATOM 307 C LEU A 57 62.387 81.327 35.111 1.00 20.96 C ATOM 308 O LEU A 57 62.665 82.467 35.450 1.00 27.45 O ATOM 309 CB LEU A 57 59.919 81.029 35.031 1.00 18.91 C ATOM 310 CG LEU A 57 58.552 80.958 34.348 1.00 18.22 C ATOM 311 CD1 LEU A 57 57.486 80.691 35.366 1.00 16.51 C ATOM 312 CD2 LEU A 57 58.281 82.255 33.624 1.00 18.65 C ATOM 0 H LEU A 57 60.895 79.229 33.602 1.00 22.69 H new ATOM 0 HA LEU A 57 61.185 81.842 33.570 1.00 19.48 H new ATOM 0 HB2 LEU A 57 59.993 80.254 35.609 1.00 18.91 H new ATOM 0 HB3 LEU A 57 59.914 81.811 35.605 1.00 18.91 H new ATOM 0 HG LEU A 57 58.550 80.233 33.703 1.00 18.22 H new ATOM 0 HD11 LEU A 57 56.622 80.647 34.927 1.00 16.51 H new ATOM 0 HD12 LEU A 57 57.666 79.847 35.809 1.00 16.51 H new ATOM 0 HD13 LEU A 57 57.479 81.405 36.022 1.00 16.51 H new ATOM 0 HD21 LEU A 57 57.414 82.209 33.191 1.00 18.65 H new ATOM 0 HD22 LEU A 57 58.286 82.988 34.260 1.00 18.65 H new ATOM 0 HD23 LEU A 57 58.968 82.402 32.956 1.00 18.65 H new ATOM 313 N ASN A 58 63.048 80.258 35.558 1.00 21.14 N ATOM 314 CA ASN A 58 64.207 80.335 36.459 1.00 17.28 C ATOM 315 C ASN A 58 65.241 79.382 35.861 1.00 17.75 C ATOM 316 O ASN A 58 65.600 78.366 36.455 1.00 22.99 O ATOM 317 CB ASN A 58 63.786 79.854 37.855 1.00 19.28 C ATOM 318 CG ASN A 58 64.890 79.981 38.887 1.00 21.44 C ATOM 319 OD1 ASN A 58 66.011 80.405 38.586 1.00 24.21 O ATOM 320 ND2 ASN A 58 64.583 79.611 40.118 1.00 19.76 N ATOM 0 H ASN A 58 62.834 79.453 35.344 1.00 21.14 H new ATOM 0 HA ASN A 58 64.558 81.235 36.545 1.00 17.28 H new ATOM 0 HB2 ASN A 58 63.016 80.366 38.149 1.00 19.28 H new ATOM 0 HB3 ASN A 58 63.507 78.927 37.801 1.00 19.28 H new ATOM 0 HD21 ASN A 58 65.173 79.661 40.742 1.00 19.76 H new ATOM 0 HD22 ASN A 58 63.793 79.320 40.295 1.00 19.76 H new ATOM 321 N PRO A 59 65.806 79.755 34.709 1.00 15.78 N ATOM 322 CA PRO A 59 66.789 78.947 33.991 1.00 18.10 C ATOM 323 C PRO A 59 68.096 78.623 34.682 1.00 20.47 C ATOM 324 O PRO A 59 68.936 77.924 34.110 1.00 24.14 O ATOM 325 CB PRO A 59 67.016 79.759 32.718 1.00 16.13 C ATOM 326 CG PRO A 59 66.938 81.140 33.210 1.00 17.37 C ATOM 327 CD PRO A 59 65.742 81.112 34.149 1.00 15.86 C ATOM 0 HA PRO A 59 66.439 78.050 33.873 1.00 18.10 H new ATOM 0 HB2 PRO A 59 67.877 79.567 32.315 1.00 16.13 H new ATOM 0 HB3 PRO A 59 66.341 79.575 32.046 1.00 16.13 H new ATOM 0 HG2 PRO A 59 67.750 81.401 33.672 1.00 17.37 H new ATOM 0 HG3 PRO A 59 66.809 81.771 32.485 1.00 17.37 H new ATOM 0 HD2 PRO A 59 65.809 81.791 34.839 1.00 15.86 H new ATOM 0 HD3 PRO A 59 64.909 81.269 33.677 1.00 15.86 H new ATOM 328 N SER A 60 68.249 79.038 35.921 1.00 19.53 N ATOM 329 CA SER A 60 69.501 78.785 36.594 1.00 22.44 C ATOM 330 C SER A 60 69.374 77.987 37.888 1.00 22.49 C ATOM 331 O SER A 60 70.340 77.866 38.655 1.00 26.69 O ATOM 332 CB SER A 60 70.207 80.116 36.844 1.00 22.63 C ATOM 333 OG SER A 60 69.455 80.860 37.788 1.00 32.48 O ATOM 0 H SER A 60 67.656 79.458 36.382 1.00 19.53 H new ATOM 0 HA SER A 60 70.027 78.221 36.006 1.00 22.44 H new ATOM 0 HB2 SER A 60 71.106 79.963 37.176 1.00 22.63 H new ATOM 0 HB3 SER A 60 70.291 80.613 36.015 1.00 22.63 H new ATOM 0 HG SER A 60 69.836 81.594 37.934 1.00 32.48 H new ATOM 334 N ASN A 61 68.200 77.404 38.107 1.00 23.01 N ATOM 335 CA ASN A 61 67.947 76.603 39.300 1.00 21.37 C ATOM 336 C ASN A 61 68.403 75.163 39.032 1.00 24.64 C ATOM 337 O ASN A 61 67.787 74.459 38.221 1.00 31.08 O ATOM 338 CB ASN A 61 66.460 76.622 39.605 1.00 19.38 C ATOM 339 CG ASN A 61 66.134 76.091 40.980 1.00 21.02 C ATOM 340 OD1 ASN A 61 66.958 75.470 41.647 1.00 22.95 O ATOM 341 ND2 ASN A 61 64.930 76.365 41.428 1.00 19.67 N ATOM 0 H ASN A 61 67.530 77.461 37.571 1.00 23.01 H new ATOM 0 HA ASN A 61 68.434 76.964 40.057 1.00 21.37 H new ATOM 0 HB2 ASN A 61 66.131 77.531 39.528 1.00 19.38 H new ATOM 0 HB3 ASN A 61 65.992 76.093 38.940 1.00 19.38 H new ATOM 0 HD21 ASN A 61 64.695 76.108 42.214 1.00 19.67 H new ATOM 0 HD22 ASN A 61 64.377 76.802 40.935 1.00 19.67 H new ATOM 342 N ALA A 62 69.458 74.728 39.731 1.00 23.65 N ATOM 343 CA ALA A 62 70.028 73.378 39.593 1.00 16.43 C ATOM 344 C ALA A 62 69.091 72.268 39.977 1.00 16.44 C ATOM 345 O ALA A 62 69.117 71.208 39.374 1.00 22.41 O ATOM 346 CB ALA A 62 71.283 73.249 40.395 1.00 14.71 C ATOM 0 H ALA A 62 69.869 75.216 40.308 1.00 23.65 H new ATOM 0 HA ALA A 62 70.211 73.279 38.646 1.00 16.43 H new ATOM 0 HB1 ALA A 62 71.643 72.354 40.291 1.00 14.71 H new ATOM 0 HB2 ALA A 62 71.934 73.897 40.084 1.00 14.71 H new ATOM 0 HB3 ALA A 62 71.087 73.412 41.331 1.00 14.71 H new ATOM 347 N ILE A 63 68.261 72.488 40.981 1.00 16.91 N ATOM 348 CA ILE A 63 67.340 71.456 41.398 1.00 13.85 C ATOM 349 C ILE A 63 66.337 71.095 40.298 1.00 20.28 C ATOM 350 O ILE A 63 66.032 69.915 40.100 1.00 30.47 O ATOM 351 CB ILE A 63 66.623 71.840 42.694 1.00 12.34 C ATOM 352 CG1 ILE A 63 67.571 71.681 43.870 1.00 11.65 C ATOM 353 CG2 ILE A 63 65.407 70.972 42.925 1.00 11.44 C ATOM 354 CD1 ILE A 63 68.658 72.700 43.932 1.00 16.20 C ATOM 0 H ILE A 63 68.216 73.221 41.429 1.00 16.91 H new ATOM 0 HA ILE A 63 67.869 70.662 41.572 1.00 13.85 H new ATOM 0 HB ILE A 63 66.337 72.763 42.615 1.00 12.34 H new ATOM 0 HG12 ILE A 63 67.058 71.722 44.692 1.00 11.65 H new ATOM 0 HG13 ILE A 63 67.972 70.799 43.830 1.00 11.65 H new ATOM 0 HG21 ILE A 63 64.973 71.236 43.751 1.00 11.44 H new ATOM 0 HG22 ILE A 63 64.788 71.079 42.186 1.00 11.44 H new ATOM 0 HG23 ILE A 63 65.679 70.043 42.986 1.00 11.44 H new ATOM 0 HD11 ILE A 63 69.217 72.531 44.706 1.00 16.20 H new ATOM 0 HD12 ILE A 63 69.197 72.648 43.127 1.00 16.20 H new ATOM 0 HD13 ILE A 63 68.268 73.585 44.003 1.00 16.20 H new ATOM 355 N TYR A 64 65.867 72.076 39.530 1.00 16.80 N ATOM 356 CA TYR A 64 64.893 71.775 38.486 1.00 9.45 C ATOM 357 C TYR A 64 65.479 70.794 37.491 1.00 10.48 C ATOM 358 O TYR A 64 64.811 69.851 37.053 1.00 11.48 O ATOM 359 CB TYR A 64 64.451 73.053 37.777 1.00 13.00 C ATOM 360 CG TYR A 64 63.692 74.008 38.663 1.00 13.17 C ATOM 361 CD1 TYR A 64 63.330 73.640 39.949 1.00 12.26 C ATOM 362 CD2 TYR A 64 63.414 75.305 38.246 1.00 16.77 C ATOM 363 CE1 TYR A 64 62.737 74.524 40.799 1.00 14.18 C ATOM 364 CE2 TYR A 64 62.812 76.204 39.099 1.00 18.16 C ATOM 365 CZ TYR A 64 62.486 75.803 40.381 1.00 17.40 C ATOM 366 OH TYR A 64 61.971 76.690 41.294 1.00 17.96 O ATOM 0 H TYR A 64 66.093 72.903 39.595 1.00 16.80 H new ATOM 0 HA TYR A 64 64.114 71.372 38.899 1.00 9.45 H new ATOM 0 HB2 TYR A 64 65.234 73.505 37.424 1.00 13.00 H new ATOM 0 HB3 TYR A 64 63.894 72.816 37.019 1.00 13.00 H new ATOM 0 HD1 TYR A 64 63.495 72.772 40.238 1.00 12.26 H new ATOM 0 HD2 TYR A 64 63.637 75.568 37.382 1.00 16.77 H new ATOM 0 HE1 TYR A 64 62.504 74.260 41.660 1.00 14.18 H new ATOM 0 HE2 TYR A 64 62.627 77.070 38.816 1.00 18.16 H new ATOM 0 HH TYR A 64 61.792 76.285 42.008 1.00 17.96 H new ATOM 367 N TYR A 65 66.738 71.034 37.142 1.00 10.13 N ATOM 368 CA TYR A 65 67.474 70.194 36.209 1.00 7.74 C ATOM 369 C TYR A 65 67.709 68.836 36.821 1.00 10.17 C ATOM 370 O TYR A 65 67.574 67.823 36.153 1.00 14.22 O ATOM 371 CB TYR A 65 68.810 70.828 35.867 1.00 6.74 C ATOM 372 CG TYR A 65 68.710 71.952 34.866 1.00 7.37 C ATOM 373 CD1 TYR A 65 68.559 71.690 33.504 1.00 7.13 C ATOM 374 CD2 TYR A 65 68.772 73.276 35.276 1.00 10.28 C ATOM 375 CE1 TYR A 65 68.476 72.738 32.566 1.00 12.21 C ATOM 376 CE2 TYR A 65 68.674 74.331 34.356 1.00 11.69 C ATOM 377 CZ TYR A 65 68.530 74.059 33.004 1.00 13.69 C ATOM 378 OH TYR A 65 68.456 75.111 32.103 1.00 15.83 O ATOM 0 H TYR A 65 67.193 71.698 37.445 1.00 10.13 H new ATOM 0 HA TYR A 65 66.950 70.101 35.398 1.00 7.74 H new ATOM 0 HB2 TYR A 65 69.216 71.165 36.681 1.00 6.74 H new ATOM 0 HB3 TYR A 65 69.403 70.145 35.516 1.00 6.74 H new ATOM 0 HD1 TYR A 65 68.512 70.809 33.210 1.00 7.13 H new ATOM 0 HD2 TYR A 65 68.881 73.468 36.179 1.00 10.28 H new ATOM 0 HE1 TYR A 65 68.386 72.549 31.660 1.00 12.21 H new ATOM 0 HE2 TYR A 65 68.706 75.212 34.653 1.00 11.69 H new ATOM 0 HH TYR A 65 68.501 75.840 32.518 1.00 15.83 H new ATOM 379 N GLY A 66 68.020 68.814 38.111 1.00 10.02 N ATOM 380 CA GLY A 66 68.242 67.551 38.775 1.00 7.84 C ATOM 381 C GLY A 66 66.975 66.744 38.694 1.00 11.06 C ATOM 382 O GLY A 66 66.986 65.580 38.325 1.00 17.34 O ATOM 0 H GLY A 66 68.105 69.510 38.608 1.00 10.02 H new ATOM 0 HA2 GLY A 66 68.974 67.073 38.355 1.00 7.84 H new ATOM 0 HA3 GLY A 66 68.492 67.696 39.701 1.00 7.84 H new ATOM 383 N ASN A 67 65.850 67.388 38.945 1.00 9.91 N ATOM 384 CA ASN A 67 64.594 66.683 38.923 1.00 6.36 C ATOM 385 C ASN A 67 64.221 66.213 37.551 1.00 7.69 C ATOM 386 O ASN A 67 63.836 65.056 37.382 1.00 10.75 O ATOM 387 CB ASN A 67 63.492 67.558 39.498 1.00 11.10 C ATOM 388 CG ASN A 67 63.623 67.736 40.988 1.00 11.22 C ATOM 389 OD1 ASN A 67 64.459 67.097 41.638 1.00 10.52 O ATOM 390 ND2 ASN A 67 62.781 68.585 41.548 1.00 10.23 N ATOM 0 H ASN A 67 65.795 68.226 39.128 1.00 9.91 H new ATOM 0 HA ASN A 67 64.702 65.892 39.474 1.00 6.36 H new ATOM 0 HB2 ASN A 67 63.514 68.427 39.067 1.00 11.10 H new ATOM 0 HB3 ASN A 67 62.629 67.163 39.296 1.00 11.10 H new ATOM 0 HD21 ASN A 67 62.800 68.712 42.398 1.00 10.23 H new ATOM 0 HD22 ASN A 67 62.214 69.011 41.062 1.00 10.23 H new ATOM 391 N ARG A 68 64.355 67.080 36.556 1.00 7.11 N ATOM 392 CA ARG A 68 63.984 66.683 35.204 1.00 11.05 C ATOM 393 C ARG A 68 64.878 65.589 34.684 1.00 13.04 C ATOM 394 O ARG A 68 64.441 64.747 33.909 1.00 19.23 O ATOM 395 CB ARG A 68 63.960 67.850 34.229 1.00 11.73 C ATOM 396 CG ARG A 68 63.203 67.509 32.926 1.00 9.31 C ATOM 397 CD ARG A 68 63.069 68.705 31.933 1.00 7.92 C ATOM 398 NE ARG A 68 64.358 69.203 31.433 1.00 3.29 N ATOM 399 CZ ARG A 68 64.500 70.285 30.683 1.00 4.46 C ATOM 400 NH1 ARG A 68 63.437 71.011 30.321 1.00 2.00 N ATOM 401 NH2 ARG A 68 65.710 70.679 30.344 1.00 3.70 N ATOM 0 H ARG A 68 64.651 67.883 36.637 1.00 7.11 H new ATOM 0 HA ARG A 68 63.078 66.342 35.268 1.00 11.05 H new ATOM 0 HB2 ARG A 68 63.541 68.615 34.653 1.00 11.73 H new ATOM 0 HB3 ARG A 68 64.870 68.108 34.014 1.00 11.73 H new ATOM 0 HG2 ARG A 68 63.661 66.780 32.479 1.00 9.31 H new ATOM 0 HG3 ARG A 68 62.316 67.189 33.153 1.00 9.31 H new ATOM 0 HD2 ARG A 68 62.523 68.430 31.180 1.00 7.92 H new ATOM 0 HD3 ARG A 68 62.600 69.430 32.374 1.00 7.92 H new ATOM 0 HE ARG A 68 65.067 68.763 31.641 1.00 3.29 H new ATOM 0 HH11 ARG A 68 62.650 70.777 30.576 1.00 2.00 H new ATOM 0 HH12 ARG A 68 63.541 71.712 29.834 1.00 2.00 H new ATOM 0 HH21 ARG A 68 66.397 70.235 30.609 1.00 3.70 H new ATOM 0 HH22 ARG A 68 65.813 71.380 29.857 1.00 3.70 H new ATOM 402 N SER A 69 66.125 65.588 35.117 1.00 11.35 N ATOM 403 CA SER A 69 67.051 64.546 34.707 1.00 9.68 C ATOM 404 C SER A 69 66.463 63.229 35.166 1.00 6.30 C ATOM 405 O SER A 69 66.298 62.319 34.369 1.00 7.35 O ATOM 406 CB SER A 69 68.433 64.753 35.348 1.00 7.94 C ATOM 407 OG SER A 69 69.280 63.638 35.131 1.00 14.07 O ATOM 0 H SER A 69 66.456 66.178 35.647 1.00 11.35 H new ATOM 0 HA SER A 69 67.173 64.564 33.745 1.00 9.68 H new ATOM 0 HB2 SER A 69 68.845 65.550 34.980 1.00 7.94 H new ATOM 0 HB3 SER A 69 68.330 64.901 36.301 1.00 7.94 H new ATOM 0 HG SER A 69 69.733 63.761 34.434 1.00 14.07 H new ATOM 408 N LEU A 70 66.067 63.156 36.433 1.00 8.68 N ATOM 409 CA LEU A 70 65.520 61.918 36.964 1.00 9.82 C ATOM 410 C LEU A 70 64.289 61.541 36.214 1.00 10.89 C ATOM 411 O LEU A 70 64.088 60.372 35.897 1.00 13.66 O ATOM 412 CB LEU A 70 65.222 62.004 38.462 1.00 13.24 C ATOM 413 CG LEU A 70 64.610 60.701 39.017 1.00 13.44 C ATOM 414 CD1 LEU A 70 65.499 59.507 38.729 1.00 9.61 C ATOM 415 CD2 LEU A 70 64.353 60.809 40.505 1.00 14.05 C ATOM 0 H LEU A 70 66.107 63.806 36.995 1.00 8.68 H new ATOM 0 HA LEU A 70 66.196 61.232 36.848 1.00 9.82 H new ATOM 0 HB2 LEU A 70 66.042 62.203 38.941 1.00 13.24 H new ATOM 0 HB3 LEU A 70 64.612 62.740 38.626 1.00 13.24 H new ATOM 0 HG LEU A 70 63.762 60.567 38.565 1.00 13.44 H new ATOM 0 HD11 LEU A 70 65.090 58.704 39.089 1.00 9.61 H new ATOM 0 HD12 LEU A 70 65.611 59.411 37.770 1.00 9.61 H new ATOM 0 HD13 LEU A 70 66.366 59.641 39.144 1.00 9.61 H new ATOM 0 HD21 LEU A 70 63.969 59.979 40.828 1.00 14.05 H new ATOM 0 HD22 LEU A 70 65.189 60.980 40.966 1.00 14.05 H new ATOM 0 HD23 LEU A 70 63.736 61.538 40.675 1.00 14.05 H new ATOM 416 N ALA A 71 63.444 62.523 35.938 1.00 13.36 N ATOM 417 CA ALA A 71 62.238 62.242 35.164 1.00 12.23 C ATOM 418 C ALA A 71 62.646 61.650 33.828 1.00 9.90 C ATOM 419 O ALA A 71 61.909 60.874 33.260 1.00 14.78 O ATOM 420 CB ALA A 71 61.420 63.499 34.939 1.00 13.99 C ATOM 0 H ALA A 71 63.543 63.342 36.181 1.00 13.36 H new ATOM 0 HA ALA A 71 61.687 61.616 35.659 1.00 12.23 H new ATOM 0 HB1 ALA A 71 60.628 63.282 34.424 1.00 13.99 H new ATOM 0 HB2 ALA A 71 61.156 63.871 35.795 1.00 13.99 H new ATOM 0 HB3 ALA A 71 61.952 64.149 34.454 1.00 13.99 H new ATOM 421 N TYR A 72 63.804 62.042 33.304 1.00 12.64 N ATOM 422 CA TYR A 72 64.271 61.502 32.030 1.00 8.74 C ATOM 423 C TYR A 72 64.832 60.095 32.206 1.00 12.50 C ATOM 424 O TYR A 72 64.735 59.277 31.296 1.00 17.83 O ATOM 425 CB TYR A 72 65.316 62.413 31.392 1.00 7.33 C ATOM 426 CG TYR A 72 64.733 63.530 30.526 1.00 5.09 C ATOM 427 CD1 TYR A 72 63.770 63.267 29.576 1.00 2.75 C ATOM 428 CD2 TYR A 72 65.145 64.856 30.691 1.00 5.29 C ATOM 429 CE1 TYR A 72 63.216 64.278 28.813 1.00 2.46 C ATOM 430 CE2 TYR A 72 64.606 65.863 29.940 1.00 3.41 C ATOM 431 CZ TYR A 72 63.637 65.566 29.003 1.00 3.42 C ATOM 432 OH TYR A 72 63.113 66.569 28.245 1.00 7.55 O ATOM 0 H TYR A 72 64.331 62.616 33.667 1.00 12.64 H new ATOM 0 HA TYR A 72 63.506 61.456 31.435 1.00 8.74 H new ATOM 0 HB2 TYR A 72 65.855 62.810 32.094 1.00 7.33 H new ATOM 0 HB3 TYR A 72 65.911 61.874 30.848 1.00 7.33 H new ATOM 0 HD1 TYR A 72 63.487 62.391 29.445 1.00 2.75 H new ATOM 0 HD2 TYR A 72 65.797 65.056 31.323 1.00 5.29 H new ATOM 0 HE1 TYR A 72 62.565 64.085 28.178 1.00 2.46 H new ATOM 0 HE2 TYR A 72 64.890 66.741 30.059 1.00 3.41 H new ATOM 0 HH TYR A 72 63.460 67.300 28.469 1.00 7.55 H new ATOM 433 N LEU A 73 65.429 59.798 33.360 1.00 12.67 N ATOM 434 CA LEU A 73 65.954 58.446 33.592 1.00 11.52 C ATOM 435 C LEU A 73 64.789 57.457 33.695 1.00 14.08 C ATOM 436 O LEU A 73 64.876 56.342 33.164 1.00 17.66 O ATOM 437 CB LEU A 73 66.806 58.383 34.863 1.00 9.10 C ATOM 438 CG LEU A 73 68.100 59.193 34.921 1.00 6.30 C ATOM 439 CD1 LEU A 73 68.701 59.168 36.316 1.00 2.28 C ATOM 440 CD2 LEU A 73 69.069 58.640 33.912 1.00 7.73 C ATOM 0 H LEU A 73 65.540 60.350 34.010 1.00 12.67 H new ATOM 0 HA LEU A 73 66.523 58.209 32.843 1.00 11.52 H new ATOM 0 HB2 LEU A 73 66.249 58.666 35.605 1.00 9.10 H new ATOM 0 HB3 LEU A 73 67.034 57.453 35.018 1.00 9.10 H new ATOM 0 HG LEU A 73 67.905 60.119 34.709 1.00 6.30 H new ATOM 0 HD11 LEU A 73 69.520 59.688 36.325 1.00 2.28 H new ATOM 0 HD12 LEU A 73 68.070 59.548 36.947 1.00 2.28 H new ATOM 0 HD13 LEU A 73 68.898 58.252 36.567 1.00 2.28 H new ATOM 0 HD21 LEU A 73 69.894 59.149 33.942 1.00 7.73 H new ATOM 0 HD22 LEU A 73 69.255 57.711 34.118 1.00 7.73 H new ATOM 0 HD23 LEU A 73 68.683 58.703 33.024 1.00 7.73 H new ATOM 441 N ARG A 74 63.698 57.879 34.353 1.00 12.50 N ATOM 442 CA ARG A 74 62.497 57.044 34.515 1.00 14.49 C ATOM 443 C ARG A 74 61.792 56.661 33.195 1.00 16.49 C ATOM 444 O ARG A 74 61.115 55.633 33.137 1.00 21.39 O ATOM 445 CB ARG A 74 61.474 57.682 35.480 1.00 12.90 C ATOM 446 CG ARG A 74 61.890 57.786 36.985 1.00 14.96 C ATOM 447 CD ARG A 74 61.670 56.484 37.824 1.00 15.46 C ATOM 448 NE ARG A 74 61.168 56.743 39.188 1.00 17.87 N ATOM 449 CZ ARG A 74 61.945 56.967 40.244 1.00 17.96 C ATOM 450 NH1 ARG A 74 63.254 56.961 40.100 1.00 22.62 N ATOM 451 NH2 ARG A 74 61.427 57.216 41.439 1.00 16.46 N ATOM 0 H ARG A 74 63.635 58.656 34.717 1.00 12.50 H new ATOM 0 HA ARG A 74 62.838 56.220 34.897 1.00 14.49 H new ATOM 0 HB2 ARG A 74 61.273 58.575 35.160 1.00 12.90 H new ATOM 0 HB3 ARG A 74 60.651 57.171 35.429 1.00 12.90 H new ATOM 0 HG2 ARG A 74 62.828 58.030 37.031 1.00 14.96 H new ATOM 0 HG3 ARG A 74 61.389 58.508 37.396 1.00 14.96 H new ATOM 0 HD2 ARG A 74 61.041 55.910 37.359 1.00 15.46 H new ATOM 0 HD3 ARG A 74 62.508 55.999 37.882 1.00 15.46 H new ATOM 0 HE ARG A 74 60.316 56.749 39.308 1.00 17.87 H new ATOM 0 HH11 ARG A 74 63.601 56.813 39.327 1.00 22.62 H new ATOM 0 HH12 ARG A 74 63.762 57.105 40.779 1.00 22.62 H new ATOM 0 HH21 ARG A 74 60.573 57.235 41.542 1.00 16.46 H new ATOM 0 HH22 ARG A 74 61.945 57.359 42.111 1.00 16.46 H new ATOM 452 N THR A 75 61.910 57.488 32.155 1.00 17.56 N ATOM 453 CA THR A 75 61.303 57.184 30.849 1.00 16.22 C ATOM 454 C THR A 75 62.361 56.716 29.829 1.00 17.99 C ATOM 455 O THR A 75 62.134 56.792 28.621 1.00 22.56 O ATOM 456 CB THR A 75 60.478 58.405 30.263 1.00 16.80 C ATOM 457 OG1 THR A 75 61.221 59.624 30.383 1.00 17.14 O ATOM 458 CG2 THR A 75 59.174 58.582 31.005 1.00 17.85 C ATOM 0 H THR A 75 62.338 58.233 32.182 1.00 17.56 H new ATOM 0 HA THR A 75 60.679 56.458 31.004 1.00 16.22 H new ATOM 0 HB THR A 75 60.304 58.209 29.329 1.00 16.80 H new ATOM 0 HG1 THR A 75 61.304 59.823 31.195 1.00 17.14 H new ATOM 0 HG21 THR A 75 58.688 59.333 30.630 1.00 17.85 H new ATOM 0 HG22 THR A 75 58.641 57.776 30.919 1.00 17.85 H new ATOM 0 HG23 THR A 75 59.355 58.751 31.943 1.00 17.85 H new ATOM 459 N GLU A 76 63.519 56.273 30.333 1.00 15.07 N ATOM 460 CA GLU A 76 64.641 55.765 29.533 1.00 17.22 C ATOM 461 C GLU A 76 65.308 56.688 28.495 1.00 16.85 C ATOM 462 O GLU A 76 65.933 56.210 27.546 1.00 18.00 O ATOM 463 CB GLU A 76 64.279 54.424 28.884 1.00 17.31 C ATOM 464 CG GLU A 76 63.997 53.317 29.897 1.00 25.95 C ATOM 465 CD GLU A 76 63.411 52.037 29.283 1.00 27.44 C ATOM 466 OE1 GLU A 76 63.178 51.979 28.055 1.00 26.03 O ATOM 467 OE2 GLU A 76 63.162 51.076 30.050 1.00 34.62 O ATOM 0 H GLU A 76 63.678 56.260 31.178 1.00 15.07 H new ATOM 0 HA GLU A 76 65.333 55.679 30.207 1.00 17.22 H new ATOM 0 HB2 GLU A 76 63.498 54.545 28.321 1.00 17.31 H new ATOM 0 HB3 GLU A 76 65.006 54.146 28.305 1.00 17.31 H new ATOM 0 HG2 GLU A 76 64.822 53.095 30.357 1.00 25.95 H new ATOM 0 HG3 GLU A 76 63.381 53.654 30.566 1.00 25.95 H new ATOM 468 N CYS A 77 65.213 57.996 28.687 1.00 13.50 N ATOM 469 CA CYS A 77 65.826 58.962 27.789 1.00 9.43 C ATOM 470 C CYS A 77 67.195 59.304 28.373 1.00 9.98 C ATOM 471 O CYS A 77 67.411 60.350 28.969 1.00 10.35 O ATOM 472 CB CYS A 77 64.946 60.194 27.694 1.00 11.60 C ATOM 473 SG CYS A 77 63.386 59.858 26.888 1.00 16.99 S ATOM 0 H CYS A 77 64.789 58.350 29.346 1.00 13.50 H new ATOM 0 HA CYS A 77 65.927 58.606 26.892 1.00 9.43 H new ATOM 0 HB2 CYS A 77 64.779 60.538 28.585 1.00 11.60 H new ATOM 0 HB3 CYS A 77 65.417 60.887 27.206 1.00 11.60 H new ATOM 0 HG CYS A 77 62.733 60.864 26.843 1.00 16.99 H new ATOM 474 N TYR A 78 68.140 58.405 28.189 1.00 9.91 N ATOM 475 CA TYR A 78 69.456 58.605 28.770 1.00 8.90 C ATOM 476 C TYR A 78 70.299 59.791 28.258 1.00 6.23 C ATOM 477 O TYR A 78 71.101 60.325 29.001 1.00 5.51 O ATOM 478 CB TYR A 78 70.209 57.274 28.747 1.00 9.62 C ATOM 479 CG TYR A 78 69.408 56.084 29.301 1.00 10.79 C ATOM 480 CD1 TYR A 78 68.824 56.127 30.579 1.00 8.99 C ATOM 481 CD2 TYR A 78 69.246 54.911 28.549 1.00 10.69 C ATOM 482 CE1 TYR A 78 68.104 55.044 31.089 1.00 9.97 C ATOM 483 CE2 TYR A 78 68.515 53.812 29.059 1.00 8.95 C ATOM 484 CZ TYR A 78 67.951 53.893 30.324 1.00 11.53 C ATOM 485 OH TYR A 78 67.226 52.833 30.820 1.00 16.57 O ATOM 0 H TYR A 78 68.046 57.679 27.737 1.00 9.91 H new ATOM 0 HA TYR A 78 69.294 58.897 29.681 1.00 8.90 H new ATOM 0 HB2 TYR A 78 70.470 57.078 27.834 1.00 9.62 H new ATOM 0 HB3 TYR A 78 71.026 57.368 29.261 1.00 9.62 H new ATOM 0 HD1 TYR A 78 68.919 56.894 31.097 1.00 8.99 H new ATOM 0 HD2 TYR A 78 69.625 54.855 27.702 1.00 10.69 H new ATOM 0 HE1 TYR A 78 67.728 55.093 31.938 1.00 9.97 H new ATOM 0 HE2 TYR A 78 68.413 53.041 28.550 1.00 8.95 H new ATOM 0 HH TYR A 78 67.216 52.211 30.255 1.00 16.57 H new ATOM 486 N GLY A 79 70.074 60.248 27.033 1.00 10.31 N ATOM 487 CA GLY A 79 70.831 61.377 26.503 1.00 3.87 C ATOM 488 C GLY A 79 70.329 62.676 27.098 1.00 10.89 C ATOM 489 O GLY A 79 71.093 63.594 27.443 1.00 16.48 O ATOM 0 H GLY A 79 69.490 59.921 26.493 1.00 10.31 H new ATOM 0 HA2 GLY A 79 71.773 61.265 26.704 1.00 3.87 H new ATOM 0 HA3 GLY A 79 70.749 61.404 25.537 1.00 3.87 H new ATOM 490 N TYR A 80 69.020 62.769 27.228 1.00 9.47 N ATOM 491 CA TYR A 80 68.448 63.954 27.825 1.00 7.33 C ATOM 492 C TYR A 80 68.857 64.076 29.300 1.00 10.63 C ATOM 493 O TYR A 80 69.313 65.149 29.746 1.00 8.74 O ATOM 494 CB TYR A 80 66.938 63.900 27.672 1.00 8.15 C ATOM 495 CG TYR A 80 66.449 64.215 26.271 1.00 10.51 C ATOM 496 CD1 TYR A 80 67.029 65.249 25.541 1.00 6.78 C ATOM 497 CD2 TYR A 80 65.338 63.546 25.715 1.00 9.39 C ATOM 498 CE1 TYR A 80 66.540 65.616 24.312 1.00 8.10 C ATOM 499 CE2 TYR A 80 64.822 63.922 24.479 1.00 4.95 C ATOM 500 CZ TYR A 80 65.445 64.958 23.783 1.00 10.50 C ATOM 501 OH TYR A 80 65.042 65.314 22.524 1.00 10.74 O ATOM 0 H TYR A 80 68.455 62.169 26.982 1.00 9.47 H new ATOM 0 HA TYR A 80 68.785 64.742 27.371 1.00 7.33 H new ATOM 0 HB2 TYR A 80 66.628 63.015 27.922 1.00 8.15 H new ATOM 0 HB3 TYR A 80 66.536 64.527 28.294 1.00 8.15 H new ATOM 0 HD1 TYR A 80 67.762 65.700 25.893 1.00 6.78 H new ATOM 0 HD2 TYR A 80 64.945 62.844 26.181 1.00 9.39 H new ATOM 0 HE1 TYR A 80 66.944 66.305 23.836 1.00 8.10 H new ATOM 0 HE2 TYR A 80 64.078 63.492 24.124 1.00 4.95 H new ATOM 0 HH TYR A 80 64.375 64.854 22.303 1.00 10.74 H new ATOM 502 N ALA A 81 68.734 62.966 30.045 1.00 8.79 N ATOM 503 CA ALA A 81 69.080 62.913 31.482 1.00 9.24 C ATOM 504 C ALA A 81 70.524 63.310 31.778 1.00 10.13 C ATOM 505 O ALA A 81 70.816 63.914 32.806 1.00 10.41 O ATOM 506 CB ALA A 81 68.832 61.544 32.016 1.00 8.31 C ATOM 0 H ALA A 81 68.446 62.219 29.731 1.00 8.79 H new ATOM 0 HA ALA A 81 68.510 63.564 31.920 1.00 9.24 H new ATOM 0 HB1 ALA A 81 69.061 61.518 32.958 1.00 8.31 H new ATOM 0 HB2 ALA A 81 67.895 61.318 31.905 1.00 8.31 H new ATOM 0 HB3 ALA A 81 69.378 60.904 31.533 1.00 8.31 H new ATOM 507 N LEU A 82 71.422 62.907 30.890 1.00 11.93 N ATOM 508 CA LEU A 82 72.848 63.210 30.988 1.00 12.69 C ATOM 509 C LEU A 82 73.015 64.702 30.740 1.00 12.32 C ATOM 510 O LEU A 82 73.731 65.382 31.454 1.00 16.36 O ATOM 511 CB LEU A 82 73.605 62.384 29.932 1.00 14.72 C ATOM 512 CG LEU A 82 75.126 62.252 29.756 1.00 14.01 C ATOM 513 CD1 LEU A 82 75.554 63.181 28.700 1.00 15.96 C ATOM 514 CD2 LEU A 82 75.916 62.457 31.043 1.00 13.29 C ATOM 0 H LEU A 82 71.218 62.439 30.198 1.00 11.93 H new ATOM 0 HA LEU A 82 73.205 62.984 31.861 1.00 12.69 H new ATOM 0 HB2 LEU A 82 73.282 61.476 30.040 1.00 14.72 H new ATOM 0 HB3 LEU A 82 73.277 62.702 29.077 1.00 14.72 H new ATOM 0 HG LEU A 82 75.319 61.337 29.498 1.00 14.01 H new ATOM 0 HD11 LEU A 82 76.513 63.110 28.576 1.00 15.96 H new ATOM 0 HD12 LEU A 82 75.104 62.958 27.870 1.00 15.96 H new ATOM 0 HD13 LEU A 82 75.328 64.089 28.956 1.00 15.96 H new ATOM 0 HD21 LEU A 82 76.864 62.360 30.860 1.00 13.29 H new ATOM 0 HD22 LEU A 82 75.743 63.346 31.391 1.00 13.29 H new ATOM 0 HD23 LEU A 82 75.644 61.796 31.698 1.00 13.29 H new ATOM 515 N GLY A 83 72.329 65.215 29.733 1.00 9.57 N ATOM 516 CA GLY A 83 72.413 66.627 29.462 1.00 12.64 C ATOM 517 C GLY A 83 71.917 67.417 30.664 1.00 15.33 C ATOM 518 O GLY A 83 72.594 68.330 31.135 1.00 14.52 O ATOM 0 H GLY A 83 71.818 64.768 29.205 1.00 9.57 H new ATOM 0 HA2 GLY A 83 73.330 66.871 29.261 1.00 12.64 H new ATOM 0 HA3 GLY A 83 71.883 66.846 28.680 1.00 12.64 H new ATOM 519 N ASP A 84 70.728 67.085 31.160 1.00 15.91 N ATOM 520 CA ASP A 84 70.169 67.772 32.329 1.00 12.38 C ATOM 521 C ASP A 84 71.073 67.633 33.553 1.00 14.78 C ATOM 522 O ASP A 84 71.103 68.534 34.399 1.00 14.83 O ATOM 523 CB ASP A 84 68.784 67.221 32.687 1.00 6.54 C ATOM 524 CG ASP A 84 67.662 67.919 31.951 1.00 11.11 C ATOM 525 OD1 ASP A 84 67.904 68.937 31.260 1.00 7.79 O ATOM 526 OD2 ASP A 84 66.516 67.448 32.051 1.00 12.67 O ATOM 0 H ASP A 84 70.227 66.465 30.837 1.00 15.91 H new ATOM 0 HA ASP A 84 70.098 68.709 32.087 1.00 12.38 H new ATOM 0 HB2 ASP A 84 68.756 66.273 32.484 1.00 6.54 H new ATOM 0 HB3 ASP A 84 68.643 67.311 33.642 1.00 6.54 H new ATOM 527 N ALA A 85 71.795 66.511 33.668 1.00 15.71 N ATOM 528 CA ALA A 85 72.678 66.274 34.816 1.00 12.64 C ATOM 529 C ALA A 85 73.954 67.121 34.802 1.00 13.89 C ATOM 530 O ALA A 85 74.429 67.558 35.856 1.00 14.26 O ATOM 531 CB ALA A 85 73.016 64.812 34.915 1.00 15.60 C ATOM 0 H ALA A 85 71.787 65.874 33.090 1.00 15.71 H new ATOM 0 HA ALA A 85 72.184 66.553 35.602 1.00 12.64 H new ATOM 0 HB1 ALA A 85 73.599 64.665 35.676 1.00 15.60 H new ATOM 0 HB2 ALA A 85 72.201 64.298 35.029 1.00 15.60 H new ATOM 0 HB3 ALA A 85 73.466 64.528 34.104 1.00 15.60 H new ATOM 532 N THR A 86 74.518 67.313 33.611 1.00 13.99 N ATOM 533 CA THR A 86 75.717 68.124 33.414 1.00 12.99 C ATOM 534 C THR A 86 75.412 69.601 33.671 1.00 12.00 C ATOM 535 O THR A 86 76.233 70.328 34.201 1.00 17.55 O ATOM 536 CB THR A 86 76.207 67.950 31.971 1.00 11.63 C ATOM 537 OG1 THR A 86 76.369 66.555 31.701 1.00 12.45 O ATOM 538 CG2 THR A 86 77.511 68.657 31.750 1.00 12.13 C ATOM 0 H THR A 86 74.210 66.971 32.885 1.00 13.99 H new ATOM 0 HA THR A 86 76.401 67.834 34.037 1.00 12.99 H new ATOM 0 HB THR A 86 75.550 68.337 31.372 1.00 11.63 H new ATOM 0 HG1 THR A 86 75.616 66.205 31.573 1.00 12.45 H new ATOM 0 HG21 THR A 86 77.796 68.530 30.832 1.00 12.13 H new ATOM 0 HG22 THR A 86 77.400 69.604 31.926 1.00 12.13 H new ATOM 0 HG23 THR A 86 78.182 68.294 32.349 1.00 12.13 H new ATOM 539 N ARG A 87 74.227 70.039 33.262 1.00 17.20 N ATOM 540 CA ARG A 87 73.778 71.419 33.446 1.00 19.31 C ATOM 541 C ARG A 87 73.644 71.716 34.935 1.00 19.89 C ATOM 542 O ARG A 87 74.072 72.766 35.394 1.00 25.08 O ATOM 543 CB ARG A 87 72.428 71.644 32.752 1.00 20.87 C ATOM 544 CG ARG A 87 72.008 73.100 32.643 1.00 24.11 C ATOM 545 CD ARG A 87 72.886 73.844 31.668 1.00 26.01 C ATOM 546 NE ARG A 87 72.754 75.286 31.838 1.00 31.91 N ATOM 547 CZ ARG A 87 73.782 76.097 32.060 1.00 31.40 C ATOM 548 NH1 ARG A 87 75.005 75.595 32.139 1.00 32.36 N ATOM 549 NH2 ARG A 87 73.589 77.398 32.211 1.00 30.05 N ATOM 0 H ARG A 87 73.652 69.538 32.864 1.00 17.20 H new ATOM 0 HA ARG A 87 74.433 72.016 33.051 1.00 19.31 H new ATOM 0 HB2 ARG A 87 72.469 71.264 31.861 1.00 20.87 H new ATOM 0 HB3 ARG A 87 71.743 71.157 33.237 1.00 20.87 H new ATOM 0 HG2 ARG A 87 71.083 73.153 32.356 1.00 24.11 H new ATOM 0 HG3 ARG A 87 72.059 73.521 33.515 1.00 24.11 H new ATOM 0 HD2 ARG A 87 73.811 73.583 31.797 1.00 26.01 H new ATOM 0 HD3 ARG A 87 72.647 73.599 30.760 1.00 26.01 H new ATOM 0 HE ARG A 87 71.967 75.630 31.792 1.00 31.91 H new ATOM 0 HH11 ARG A 87 75.129 74.749 32.047 1.00 32.36 H new ATOM 0 HH12 ARG A 87 75.675 76.115 32.283 1.00 32.36 H new ATOM 0 HH21 ARG A 87 72.794 77.723 32.166 1.00 30.05 H new ATOM 0 HH22 ARG A 87 74.259 77.918 32.355 1.00 30.05 H new ATOM 550 N ALA A 88 73.033 70.797 35.678 1.00 18.72 N ATOM 551 CA ALA A 88 72.863 70.932 37.126 1.00 19.36 C ATOM 552 C ALA A 88 74.212 71.122 37.795 1.00 22.01 C ATOM 553 O ALA A 88 74.326 71.856 38.778 1.00 29.07 O ATOM 554 CB ALA A 88 72.192 69.691 37.707 1.00 16.03 C ATOM 0 H ALA A 88 72.702 70.072 35.355 1.00 18.72 H new ATOM 0 HA ALA A 88 72.302 71.706 37.292 1.00 19.36 H new ATOM 0 HB1 ALA A 88 72.088 69.798 38.665 1.00 16.03 H new ATOM 0 HB2 ALA A 88 71.320 69.573 37.298 1.00 16.03 H new ATOM 0 HB3 ALA A 88 72.741 68.912 37.527 1.00 16.03 H new ATOM 555 N ILE A 89 75.220 70.414 37.292 1.00 21.33 N ATOM 556 CA ILE A 89 76.575 70.496 37.840 1.00 19.33 C ATOM 557 C ILE A 89 77.282 71.770 37.375 1.00 21.83 C ATOM 558 O ILE A 89 78.162 72.266 38.075 1.00 23.03 O ATOM 559 CB ILE A 89 77.393 69.199 37.538 1.00 14.66 C ATOM 560 CG1 ILE A 89 76.636 68.008 38.141 1.00 10.22 C ATOM 561 CG2 ILE A 89 78.807 69.295 38.106 1.00 8.27 C ATOM 562 CD1 ILE A 89 77.233 66.697 37.887 1.00 10.26 C ATOM 0 H ILE A 89 75.140 69.875 36.627 1.00 21.33 H new ATOM 0 HA ILE A 89 76.508 70.555 38.806 1.00 19.33 H new ATOM 0 HB ILE A 89 77.484 69.082 36.579 1.00 14.66 H new ATOM 0 HG12 ILE A 89 76.570 68.137 39.100 1.00 10.22 H new ATOM 0 HG13 ILE A 89 75.731 68.008 37.792 1.00 10.22 H new ATOM 0 HG21 ILE A 89 79.293 68.480 37.906 1.00 8.27 H new ATOM 0 HG22 ILE A 89 79.266 70.051 37.707 1.00 8.27 H new ATOM 0 HG23 ILE A 89 78.762 69.416 39.067 1.00 8.27 H new ATOM 0 HD11 ILE A 89 76.691 66.008 38.303 1.00 10.26 H new ATOM 0 HD12 ILE A 89 77.276 66.541 36.931 1.00 10.26 H new ATOM 0 HD13 ILE A 89 78.128 66.671 38.259 1.00 10.26 H new ATOM 563 N GLU A 90 76.879 72.313 36.220 1.00 21.46 N ATOM 564 CA GLU A 90 77.462 73.562 35.721 1.00 22.29 C ATOM 565 C GLU A 90 76.944 74.717 36.581 1.00 24.22 C ATOM 566 O GLU A 90 77.684 75.652 36.888 1.00 29.46 O ATOM 567 CB GLU A 90 77.118 73.782 34.244 1.00 21.68 C ATOM 568 CG GLU A 90 77.795 72.736 33.345 1.00 30.39 C ATOM 569 CD GLU A 90 77.451 72.814 31.856 1.00 30.19 C ATOM 570 OE1 GLU A 90 76.582 73.629 31.458 1.00 24.86 O ATOM 571 OE2 GLU A 90 78.077 72.024 31.094 1.00 29.63 O ATOM 0 H GLU A 90 76.272 71.974 35.714 1.00 21.46 H new ATOM 0 HA GLU A 90 78.429 73.515 35.783 1.00 22.29 H new ATOM 0 HB2 GLU A 90 76.156 73.739 34.125 1.00 21.68 H new ATOM 0 HB3 GLU A 90 77.397 74.671 33.975 1.00 21.68 H new ATOM 0 HG2 GLU A 90 78.756 72.824 33.443 1.00 30.39 H new ATOM 0 HG3 GLU A 90 77.557 71.853 33.669 1.00 30.39 H new ATOM 572 N LEU A 91 75.709 74.572 37.057 1.00 23.06 N ATOM 573 CA LEU A 91 75.032 75.565 37.887 1.00 22.31 C ATOM 574 C LEU A 91 75.383 75.582 39.367 1.00 20.94 C ATOM 575 O LEU A 91 75.414 76.640 39.987 1.00 24.82 O ATOM 576 CB LEU A 91 73.516 75.423 37.721 1.00 22.21 C ATOM 577 CG LEU A 91 72.977 75.732 36.323 1.00 18.12 C ATOM 578 CD1 LEU A 91 71.562 75.226 36.189 1.00 17.45 C ATOM 579 CD2 LEU A 91 73.080 77.216 36.051 1.00 14.60 C ATOM 0 H LEU A 91 75.230 73.875 36.902 1.00 23.06 H new ATOM 0 HA LEU A 91 75.362 76.415 37.556 1.00 22.31 H new ATOM 0 HB2 LEU A 91 73.264 74.516 37.955 1.00 22.21 H new ATOM 0 HB3 LEU A 91 73.080 76.012 38.357 1.00 22.21 H new ATOM 0 HG LEU A 91 73.512 75.273 35.656 1.00 18.12 H new ATOM 0 HD11 LEU A 91 71.229 75.426 35.300 1.00 17.45 H new ATOM 0 HD12 LEU A 91 71.546 74.267 36.331 1.00 17.45 H new ATOM 0 HD13 LEU A 91 70.999 75.659 36.850 1.00 17.45 H new ATOM 0 HD21 LEU A 91 72.737 77.407 35.164 1.00 14.60 H new ATOM 0 HD22 LEU A 91 72.560 77.703 36.710 1.00 14.60 H new ATOM 0 HD23 LEU A 91 74.009 77.491 36.105 1.00 14.60 H new ATOM 580 N ASP A 92 75.535 74.407 39.954 1.00 19.95 N ATOM 581 CA ASP A 92 75.900 74.330 41.356 1.00 23.08 C ATOM 582 C ASP A 92 76.839 73.159 41.565 1.00 26.49 C ATOM 583 O ASP A 92 76.420 72.035 41.875 1.00 26.80 O ATOM 584 CB ASP A 92 74.679 74.217 42.274 1.00 23.93 C ATOM 585 CG ASP A 92 75.034 74.413 43.757 1.00 26.22 C ATOM 586 OD1 ASP A 92 76.146 74.881 44.098 1.00 26.62 O ATOM 587 OD2 ASP A 92 74.174 74.111 44.604 1.00 27.89 O ATOM 0 H ASP A 92 75.432 73.648 39.562 1.00 19.95 H new ATOM 0 HA ASP A 92 76.347 75.157 41.595 1.00 23.08 H new ATOM 0 HB2 ASP A 92 74.020 74.879 42.013 1.00 23.93 H new ATOM 0 HB3 ASP A 92 74.269 73.346 42.155 1.00 23.93 H new ATOM 588 N LYS A 93 78.129 73.455 41.409 1.00 30.29 N ATOM 589 CA LYS A 93 79.204 72.495 41.580 1.00 31.77 C ATOM 590 C LYS A 93 79.021 71.660 42.841 1.00 32.81 C ATOM 591 O LYS A 93 79.550 70.563 42.917 1.00 32.24 O ATOM 592 CB LYS A 93 80.566 73.216 41.630 1.00 38.49 C ATOM 593 CG LYS A 93 81.063 73.765 40.280 1.00 45.56 C ATOM 594 CD LYS A 93 81.041 72.684 39.184 1.00 50.14 C ATOM 595 CE LYS A 93 81.912 73.022 37.994 1.00 54.06 C ATOM 596 NZ LYS A 93 83.375 72.958 38.375 1.00 55.50 N ATOM 0 H LYS A 93 78.404 74.241 41.195 1.00 30.29 H new ATOM 0 HA LYS A 93 79.181 71.897 40.816 1.00 31.77 H new ATOM 0 HB2 LYS A 93 80.504 73.951 42.260 1.00 38.49 H new ATOM 0 HB3 LYS A 93 81.230 72.600 41.977 1.00 38.49 H new ATOM 0 HG2 LYS A 93 80.507 74.512 40.009 1.00 45.56 H new ATOM 0 HG3 LYS A 93 81.966 74.106 40.381 1.00 45.56 H new ATOM 0 HD2 LYS A 93 81.335 71.841 39.564 1.00 50.14 H new ATOM 0 HD3 LYS A 93 80.128 72.556 38.883 1.00 50.14 H new ATOM 0 HE2 LYS A 93 81.733 72.403 37.269 1.00 54.06 H new ATOM 0 HE3 LYS A 93 81.695 73.910 37.669 1.00 54.06 H new ATOM 0 HZ1 LYS A 93 83.874 72.956 37.638 1.00 55.50 H new ATOM 0 HZ2 LYS A 93 83.584 73.666 38.872 1.00 55.50 H new ATOM 0 HZ3 LYS A 93 83.529 72.214 38.839 1.00 55.50 H new ATOM 597 N LYS A 94 78.312 72.164 43.850 1.00 34.11 N ATOM 598 CA LYS A 94 78.137 71.334 45.031 1.00 35.49 C ATOM 599 C LYS A 94 76.750 70.811 45.353 1.00 31.94 C ATOM 600 O LYS A 94 76.390 70.597 46.515 1.00 30.14 O ATOM 601 CB LYS A 94 78.876 71.882 46.260 1.00 46.04 C ATOM 602 CG LYS A 94 80.219 71.140 46.543 1.00 50.64 C ATOM 603 CD LYS A 94 80.834 71.547 47.893 1.00 55.20 C ATOM 604 CE LYS A 94 82.225 70.942 48.092 1.00 57.23 C ATOM 605 NZ LYS A 94 82.867 71.395 49.365 1.00 58.39 N ATOM 0 H LYS A 94 77.944 72.941 43.871 1.00 34.11 H new ATOM 0 HA LYS A 94 78.576 70.516 44.750 1.00 35.49 H new ATOM 0 HB2 LYS A 94 79.055 72.826 46.129 1.00 46.04 H new ATOM 0 HB3 LYS A 94 78.301 71.807 47.037 1.00 46.04 H new ATOM 0 HG2 LYS A 94 80.065 70.182 46.535 1.00 50.64 H new ATOM 0 HG3 LYS A 94 80.849 71.332 45.831 1.00 50.64 H new ATOM 0 HD2 LYS A 94 80.892 72.514 47.943 1.00 55.20 H new ATOM 0 HD3 LYS A 94 80.251 71.260 48.613 1.00 55.20 H new ATOM 0 HE2 LYS A 94 82.157 69.974 48.094 1.00 57.23 H new ATOM 0 HE3 LYS A 94 82.791 71.185 47.343 1.00 57.23 H new ATOM 0 HZ1 LYS A 94 83.671 71.021 49.442 1.00 58.39 H new ATOM 0 HZ2 LYS A 94 82.952 72.281 49.356 1.00 58.39 H new ATOM 0 HZ3 LYS A 94 82.361 71.153 50.056 1.00 58.39 H new ATOM 606 N TYR A 95 75.958 70.605 44.303 1.00 30.10 N ATOM 607 CA TYR A 95 74.652 69.991 44.481 1.00 30.14 C ATOM 608 C TYR A 95 74.954 68.503 44.200 1.00 31.77 C ATOM 609 O TYR A 95 75.124 68.103 43.041 1.00 32.91 O ATOM 610 CB TYR A 95 73.604 70.546 43.492 1.00 25.48 C ATOM 611 CG TYR A 95 72.221 69.902 43.596 1.00 18.23 C ATOM 612 CD1 TYR A 95 71.587 69.750 44.821 1.00 18.80 C ATOM 613 CD2 TYR A 95 71.558 69.458 42.469 1.00 15.91 C ATOM 614 CE1 TYR A 95 70.324 69.168 44.918 1.00 16.75 C ATOM 615 CE2 TYR A 95 70.295 68.880 42.554 1.00 13.84 C ATOM 616 CZ TYR A 95 69.691 68.741 43.782 1.00 15.18 C ATOM 617 OH TYR A 95 68.446 68.179 43.873 1.00 15.48 O ATOM 0 H TYR A 95 76.157 70.811 43.492 1.00 30.10 H new ATOM 0 HA TYR A 95 74.268 70.159 45.356 1.00 30.14 H new ATOM 0 HB2 TYR A 95 73.514 71.501 43.637 1.00 25.48 H new ATOM 0 HB3 TYR A 95 73.935 70.427 42.588 1.00 25.48 H new ATOM 0 HD1 TYR A 95 72.014 70.043 45.594 1.00 18.80 H new ATOM 0 HD2 TYR A 95 71.964 69.547 41.637 1.00 15.91 H new ATOM 0 HE1 TYR A 95 69.915 69.071 45.748 1.00 16.75 H new ATOM 0 HE2 TYR A 95 69.861 68.589 41.784 1.00 13.84 H new ATOM 0 HH TYR A 95 68.038 68.507 44.530 1.00 15.48 H new ATOM 618 N ILE A 96 75.084 67.711 45.270 1.00 29.36 N ATOM 619 CA ILE A 96 75.400 66.286 45.162 1.00 24.46 C ATOM 620 C ILE A 96 74.577 65.458 44.159 1.00 24.64 C ATOM 621 O ILE A 96 75.143 64.803 43.298 1.00 25.37 O ATOM 622 CB ILE A 96 75.383 65.608 46.555 1.00 22.14 C ATOM 623 CG1 ILE A 96 76.271 66.366 47.536 1.00 22.61 C ATOM 624 CG2 ILE A 96 75.922 64.219 46.471 1.00 24.30 C ATOM 625 CD1 ILE A 96 77.667 66.505 47.079 1.00 22.27 C ATOM 0 H ILE A 96 74.991 67.988 46.079 1.00 29.36 H new ATOM 0 HA ILE A 96 76.294 66.288 44.785 1.00 24.46 H new ATOM 0 HB ILE A 96 74.461 65.604 46.856 1.00 22.14 H new ATOM 0 HG12 ILE A 96 75.897 67.249 47.684 1.00 22.61 H new ATOM 0 HG13 ILE A 96 76.262 65.907 48.391 1.00 22.61 H new ATOM 0 HG21 ILE A 96 75.904 63.811 47.351 1.00 24.30 H new ATOM 0 HG22 ILE A 96 75.378 63.697 45.861 1.00 24.30 H new ATOM 0 HG23 ILE A 96 76.836 64.245 46.146 1.00 24.30 H new ATOM 0 HD11 ILE A 96 78.178 66.994 47.743 1.00 22.27 H new ATOM 0 HD12 ILE A 96 78.056 65.625 46.955 1.00 22.27 H new ATOM 0 HD13 ILE A 96 77.686 66.988 46.238 1.00 22.27 H new ATOM 626 N LYS A 97 73.252 65.512 44.240 1.00 23.75 N ATOM 627 CA LYS A 97 72.392 64.738 43.336 1.00 20.11 C ATOM 628 C LYS A 97 72.729 64.877 41.866 1.00 18.05 C ATOM 629 O LYS A 97 72.452 63.972 41.082 1.00 25.62 O ATOM 630 CB LYS A 97 70.908 65.071 43.529 1.00 19.82 C ATOM 631 CG LYS A 97 70.350 64.708 44.877 1.00 24.20 C ATOM 632 CD LYS A 97 68.965 64.082 44.734 1.00 27.15 C ATOM 633 CE LYS A 97 68.367 63.710 46.076 1.00 27.31 C ATOM 634 NZ LYS A 97 67.126 62.911 45.908 1.00 32.41 N ATOM 0 H LYS A 97 72.825 65.991 44.812 1.00 23.75 H new ATOM 0 HA LYS A 97 72.568 63.818 43.588 1.00 20.11 H new ATOM 0 HB2 LYS A 97 70.782 66.022 43.386 1.00 19.82 H new ATOM 0 HB3 LYS A 97 70.395 64.611 42.846 1.00 19.82 H new ATOM 0 HG2 LYS A 97 70.947 64.087 45.323 1.00 24.20 H new ATOM 0 HG3 LYS A 97 70.297 65.500 45.434 1.00 24.20 H new ATOM 0 HD2 LYS A 97 68.375 64.704 44.280 1.00 27.15 H new ATOM 0 HD3 LYS A 97 69.025 63.290 44.177 1.00 27.15 H new ATOM 0 HE2 LYS A 97 69.014 63.203 46.592 1.00 27.31 H new ATOM 0 HE3 LYS A 97 68.171 64.515 46.580 1.00 27.31 H new ATOM 0 HZ1 LYS A 97 66.795 62.705 46.708 1.00 32.41 H new ATOM 0 HZ2 LYS A 97 66.527 63.385 45.452 1.00 32.41 H new ATOM 0 HZ3 LYS A 97 67.312 62.163 45.463 1.00 32.41 H new ATOM 635 N GLY A 98 73.295 66.015 41.484 1.00 15.79 N ATOM 636 CA GLY A 98 73.664 66.222 40.096 1.00 16.01 C ATOM 637 C GLY A 98 74.673 65.157 39.718 1.00 18.00 C ATOM 638 O GLY A 98 74.591 64.571 38.645 1.00 21.81 O ATOM 0 H GLY A 98 73.472 66.673 42.009 1.00 15.79 H new ATOM 0 HA2 GLY A 98 72.882 66.167 39.525 1.00 16.01 H new ATOM 0 HA3 GLY A 98 74.042 67.107 39.974 1.00 16.01 H new ATOM 639 N TYR A 99 75.579 64.860 40.648 1.00 18.57 N ATOM 640 CA TYR A 99 76.609 63.838 40.471 1.00 17.32 C ATOM 641 C TYR A 99 76.018 62.421 40.433 1.00 18.95 C ATOM 642 O TYR A 99 76.528 61.562 39.726 1.00 19.18 O ATOM 643 CB TYR A 99 77.673 63.963 41.565 1.00 16.07 C ATOM 644 CG TYR A 99 78.441 65.288 41.545 1.00 14.65 C ATOM 645 CD1 TYR A 99 79.554 65.446 40.732 1.00 13.79 C ATOM 646 CD2 TYR A 99 78.040 66.391 42.322 1.00 13.74 C ATOM 647 CE1 TYR A 99 80.250 66.660 40.679 1.00 12.06 C ATOM 648 CE2 TYR A 99 78.743 67.618 42.275 1.00 10.41 C ATOM 649 CZ TYR A 99 79.841 67.739 41.443 1.00 11.43 C ATOM 650 OH TYR A 99 80.520 68.932 41.295 1.00 7.09 O ATOM 0 H TYR A 99 75.613 65.253 41.412 1.00 18.57 H new ATOM 0 HA TYR A 99 77.028 63.989 39.609 1.00 17.32 H new ATOM 0 HB2 TYR A 99 77.246 63.861 42.430 1.00 16.07 H new ATOM 0 HB3 TYR A 99 78.305 63.233 41.472 1.00 16.07 H new ATOM 0 HD1 TYR A 99 79.844 64.732 40.212 1.00 13.79 H new ATOM 0 HD2 TYR A 99 77.298 66.312 42.877 1.00 13.74 H new ATOM 0 HE1 TYR A 99 80.993 66.742 40.126 1.00 12.06 H new ATOM 0 HE2 TYR A 99 78.469 68.336 42.799 1.00 10.41 H new ATOM 0 HH TYR A 99 80.027 69.567 41.538 1.00 7.09 H new ATOM 651 N TYR A 100 74.907 62.207 41.141 1.00 23.11 N ATOM 652 CA TYR A 100 74.195 60.914 41.149 1.00 22.16 C ATOM 653 C TYR A 100 73.380 60.745 39.854 1.00 21.81 C ATOM 654 O TYR A 100 73.288 59.647 39.306 1.00 19.45 O ATOM 655 CB TYR A 100 73.265 60.824 42.351 1.00 22.76 C ATOM 656 CG TYR A 100 73.950 60.498 43.657 1.00 23.34 C ATOM 657 CD1 TYR A 100 75.162 59.810 43.691 1.00 26.16 C ATOM 658 CD2 TYR A 100 73.348 60.822 44.864 1.00 22.07 C ATOM 659 CE1 TYR A 100 75.742 59.445 44.901 1.00 27.11 C ATOM 660 CE2 TYR A 100 73.912 60.470 46.058 1.00 23.14 C ATOM 661 CZ TYR A 100 75.100 59.778 46.077 1.00 25.41 C ATOM 662 OH TYR A 100 75.612 59.396 47.281 1.00 26.60 O ATOM 0 H TYR A 100 74.539 62.808 41.634 1.00 23.11 H new ATOM 0 HA TYR A 100 74.855 60.205 41.206 1.00 22.16 H new ATOM 0 HB2 TYR A 100 72.798 61.669 42.447 1.00 22.76 H new ATOM 0 HB3 TYR A 100 72.593 60.147 42.175 1.00 22.76 H new ATOM 0 HD1 TYR A 100 75.588 59.592 42.894 1.00 26.16 H new ATOM 0 HD2 TYR A 100 72.544 61.289 44.861 1.00 22.07 H new ATOM 0 HE1 TYR A 100 76.549 58.984 44.918 1.00 27.11 H new ATOM 0 HE2 TYR A 100 73.493 60.698 46.856 1.00 23.14 H new ATOM 0 HH TYR A 100 76.409 59.149 47.181 1.00 26.60 H new ATOM 663 N ARG A 101 72.770 61.839 39.396 1.00 21.20 N ATOM 664 CA ARG A 101 72.016 61.865 38.142 1.00 17.80 C ATOM 665 C ARG A 101 72.993 61.615 36.983 1.00 13.30 C ATOM 666 O ARG A 101 72.704 60.838 36.080 1.00 7.96 O ATOM 667 CB ARG A 101 71.366 63.231 37.948 1.00 20.60 C ATOM 668 CG ARG A 101 70.431 63.616 39.056 1.00 21.80 C ATOM 669 CD ARG A 101 69.252 62.655 39.159 1.00 21.03 C ATOM 670 NE ARG A 101 68.181 63.302 39.912 1.00 19.65 N ATOM 671 CZ ARG A 101 67.757 62.914 41.105 1.00 17.60 C ATOM 672 NH1 ARG A 101 68.296 61.854 41.701 1.00 12.05 N ATOM 673 NH2 ARG A 101 66.822 63.620 41.725 1.00 15.99 N ATOM 0 H ARG A 101 72.783 62.594 39.809 1.00 21.20 H new ATOM 0 HA ARG A 101 71.326 61.184 38.166 1.00 17.80 H new ATOM 0 HB2 ARG A 101 72.061 63.904 37.874 1.00 20.60 H new ATOM 0 HB3 ARG A 101 70.879 63.232 37.109 1.00 20.60 H new ATOM 0 HG2 ARG A 101 70.914 63.628 39.897 1.00 21.80 H new ATOM 0 HG3 ARG A 101 70.103 64.516 38.905 1.00 21.80 H new ATOM 0 HD2 ARG A 101 68.940 62.411 38.274 1.00 21.03 H new ATOM 0 HD3 ARG A 101 69.525 61.835 39.600 1.00 21.03 H new ATOM 0 HE ARG A 101 67.798 63.984 39.555 1.00 19.65 H new ATOM 0 HH11 ARG A 101 68.925 61.415 41.312 1.00 12.05 H new ATOM 0 HH12 ARG A 101 68.016 61.608 42.476 1.00 12.05 H new ATOM 0 HH21 ARG A 101 66.496 64.323 41.352 1.00 15.99 H new ATOM 0 HH22 ARG A 101 66.541 63.375 42.500 1.00 15.99 H new ATOM 674 N ARG A 102 74.152 62.268 36.997 1.00 7.68 N ATOM 675 CA ARG A 102 75.095 62.031 35.921 1.00 10.88 C ATOM 676 C ARG A 102 75.694 60.645 35.964 1.00 10.16 C ATOM 677 O ARG A 102 76.006 60.083 34.928 1.00 14.40 O ATOM 678 CB ARG A 102 76.215 63.050 35.882 1.00 10.05 C ATOM 679 CG ARG A 102 76.965 62.963 34.550 1.00 12.70 C ATOM 680 CD ARG A 102 77.821 64.161 34.300 1.00 11.47 C ATOM 681 NE ARG A 102 78.823 64.278 35.333 1.00 15.54 N ATOM 682 CZ ARG A 102 79.577 65.349 35.523 1.00 21.27 C ATOM 683 NH1 ARG A 102 79.435 66.401 34.738 1.00 23.01 N ATOM 684 NH2 ARG A 102 80.491 65.360 36.491 1.00 22.29 N ATOM 0 H ARG A 102 74.401 62.831 37.598 1.00 7.68 H new ATOM 0 HA ARG A 102 74.567 62.119 35.112 1.00 10.88 H new ATOM 0 HB2 ARG A 102 75.853 63.942 35.999 1.00 10.05 H new ATOM 0 HB3 ARG A 102 76.829 62.894 36.617 1.00 10.05 H new ATOM 0 HG2 ARG A 102 77.518 62.166 34.545 1.00 12.70 H new ATOM 0 HG3 ARG A 102 76.325 62.869 33.827 1.00 12.70 H new ATOM 0 HD2 ARG A 102 78.248 64.087 33.432 1.00 11.47 H new ATOM 0 HD3 ARG A 102 77.273 64.961 34.279 1.00 11.47 H new ATOM 0 HE ARG A 102 78.937 63.608 35.859 1.00 15.54 H new ATOM 0 HH11 ARG A 102 78.853 66.390 34.105 1.00 23.01 H new ATOM 0 HH12 ARG A 102 79.924 67.098 34.860 1.00 23.01 H new ATOM 0 HH21 ARG A 102 80.592 64.670 36.994 1.00 22.29 H new ATOM 0 HH22 ARG A 102 80.980 66.057 36.613 1.00 22.29 H new ATOM 685 N ALA A 103 75.920 60.119 37.161 1.00 11.26 N ATOM 686 CA ALA A 103 76.466 58.776 37.301 1.00 9.19 C ATOM 687 C ALA A 103 75.435 57.825 36.753 1.00 8.66 C ATOM 688 O ALA A 103 75.739 57.030 35.878 1.00 15.93 O ATOM 689 CB ALA A 103 76.734 58.456 38.720 1.00 10.39 C ATOM 0 H ALA A 103 75.764 60.523 37.904 1.00 11.26 H new ATOM 0 HA ALA A 103 77.307 58.705 36.823 1.00 9.19 H new ATOM 0 HB1 ALA A 103 77.096 57.559 38.787 1.00 10.39 H new ATOM 0 HB2 ALA A 103 77.374 59.090 39.080 1.00 10.39 H new ATOM 0 HB3 ALA A 103 75.908 58.509 39.226 1.00 10.39 H new ATOM 690 N ALA A 104 74.194 57.963 37.201 1.00 6.96 N ATOM 691 CA ALA A 104 73.106 57.102 36.714 1.00 8.90 C ATOM 692 C ALA A 104 72.921 57.133 35.191 1.00 5.55 C ATOM 693 O ALA A 104 72.652 56.106 34.584 1.00 12.59 O ATOM 694 CB ALA A 104 71.803 57.453 37.399 1.00 4.04 C ATOM 0 H ALA A 104 73.954 58.546 37.786 1.00 6.96 H new ATOM 0 HA ALA A 104 73.367 56.196 36.940 1.00 8.90 H new ATOM 0 HB1 ALA A 104 71.097 56.877 37.067 1.00 4.04 H new ATOM 0 HB2 ALA A 104 71.897 57.329 38.356 1.00 4.04 H new ATOM 0 HB3 ALA A 104 71.579 58.378 37.213 1.00 4.04 H new ATOM 695 N SER A 105 73.059 58.300 34.575 1.00 7.51 N ATOM 696 CA SER A 105 72.906 58.447 33.124 1.00 3.86 C ATOM 697 C SER A 105 74.018 57.744 32.371 1.00 6.07 C ATOM 698 O SER A 105 73.780 57.153 31.325 1.00 10.86 O ATOM 699 CB SER A 105 72.914 59.928 32.741 1.00 7.58 C ATOM 700 OG SER A 105 71.974 60.658 33.512 1.00 12.03 O ATOM 0 H SER A 105 73.244 59.034 34.984 1.00 7.51 H new ATOM 0 HA SER A 105 72.059 58.041 32.881 1.00 3.86 H new ATOM 0 HB2 SER A 105 73.802 60.295 32.875 1.00 7.58 H new ATOM 0 HB3 SER A 105 72.707 60.023 31.798 1.00 7.58 H new ATOM 0 HG SER A 105 72.247 60.717 34.304 1.00 12.03 H new ATOM 701 N ASN A 106 75.242 57.831 32.894 1.00 7.00 N ATOM 702 CA ASN A 106 76.392 57.187 32.282 1.00 3.48 C ATOM 703 C ASN A 106 76.399 55.664 32.441 1.00 7.08 C ATOM 704 O ASN A 106 76.911 54.968 31.580 1.00 12.65 O ATOM 705 CB ASN A 106 77.679 57.813 32.778 1.00 3.76 C ATOM 706 CG ASN A 106 78.046 59.048 31.977 1.00 8.72 C ATOM 707 OD1 ASN A 106 77.781 59.115 30.774 1.00 11.76 O ATOM 708 ND2 ASN A 106 78.642 60.031 32.631 1.00 7.93 N ATOM 0 H ASN A 106 75.424 58.266 33.613 1.00 7.00 H new ATOM 0 HA ASN A 106 76.322 57.342 31.327 1.00 3.48 H new ATOM 0 HB2 ASN A 106 77.584 58.050 33.714 1.00 3.76 H new ATOM 0 HB3 ASN A 106 78.398 57.164 32.721 1.00 3.76 H new ATOM 0 HD21 ASN A 106 78.860 60.752 32.217 1.00 7.93 H new ATOM 0 HD22 ASN A 106 78.811 59.949 33.470 1.00 7.93 H new ATOM 709 N MET A 107 75.804 55.133 33.512 1.00 8.93 N ATOM 710 CA MET A 107 75.707 53.675 33.693 1.00 6.87 C ATOM 711 C MET A 107 74.745 53.119 32.637 1.00 9.29 C ATOM 712 O MET A 107 74.986 52.082 32.014 1.00 7.47 O ATOM 713 CB MET A 107 75.122 53.363 35.055 1.00 8.67 C ATOM 714 CG MET A 107 75.977 53.754 36.211 1.00 7.72 C ATOM 715 SD MET A 107 77.415 52.735 36.314 1.00 12.02 S ATOM 716 CE MET A 107 76.769 51.182 36.729 1.00 8.04 C ATOM 0 H MET A 107 75.450 55.595 34.145 1.00 8.93 H new ATOM 0 HA MET A 107 76.590 53.282 33.612 1.00 6.87 H new ATOM 0 HB2 MET A 107 74.267 53.813 35.136 1.00 8.67 H new ATOM 0 HB3 MET A 107 74.947 52.410 35.107 1.00 8.67 H new ATOM 0 HG2 MET A 107 76.241 54.683 36.122 1.00 7.72 H new ATOM 0 HG3 MET A 107 75.467 53.682 37.033 1.00 7.72 H new ATOM 0 HE1 MET A 107 77.453 50.655 37.171 1.00 8.04 H new ATOM 0 HE2 MET A 107 76.012 51.295 37.325 1.00 8.04 H new ATOM 0 HE3 MET A 107 76.480 50.726 35.923 1.00 8.04 H new ATOM 717 N ALA A 108 73.619 53.813 32.501 1.00 11.00 N ATOM 718 CA ALA A 108 72.568 53.492 31.544 1.00 7.24 C ATOM 719 C ALA A 108 73.131 53.584 30.149 1.00 10.27 C ATOM 720 O ALA A 108 72.683 52.882 29.242 1.00 11.70 O ATOM 721 CB ALA A 108 71.462 54.469 31.688 1.00 9.87 C ATOM 0 H ALA A 108 73.441 54.505 32.979 1.00 11.00 H new ATOM 0 HA ALA A 108 72.235 52.596 31.708 1.00 7.24 H new ATOM 0 HB1 ALA A 108 70.760 54.259 31.053 1.00 9.87 H new ATOM 0 HB2 ALA A 108 71.106 54.424 32.589 1.00 9.87 H new ATOM 0 HB3 ALA A 108 71.796 55.363 31.517 1.00 9.87 H new ATOM 722 N LEU A 109 74.046 54.525 29.945 1.00 11.18 N ATOM 723 CA LEU A 109 74.676 54.657 28.640 1.00 11.35 C ATOM 724 C LEU A 109 75.854 53.673 28.535 1.00 13.31 C ATOM 725 O LEU A 109 76.564 53.652 27.533 1.00 18.09 O ATOM 726 CB LEU A 109 75.139 56.096 28.381 1.00 8.86 C ATOM 727 CG LEU A 109 74.065 57.137 28.094 1.00 8.63 C ATOM 728 CD1 LEU A 109 74.628 58.559 28.114 1.00 2.00 C ATOM 729 CD2 LEU A 109 73.408 56.802 26.764 1.00 6.72 C ATOM 0 H LEU A 109 74.312 55.088 30.538 1.00 11.18 H new ATOM 0 HA LEU A 109 74.020 54.442 27.958 1.00 11.35 H new ATOM 0 HB2 LEU A 109 75.644 56.392 29.154 1.00 8.86 H new ATOM 0 HB3 LEU A 109 75.752 56.083 27.629 1.00 8.86 H new ATOM 0 HG LEU A 109 73.396 57.110 28.796 1.00 8.63 H new ATOM 0 HD11 LEU A 109 73.917 59.192 27.928 1.00 2.00 H new ATOM 0 HD12 LEU A 109 75.005 58.746 28.988 1.00 2.00 H new ATOM 0 HD13 LEU A 109 75.320 58.643 27.439 1.00 2.00 H new ATOM 0 HD21 LEU A 109 72.721 57.458 26.568 1.00 6.72 H new ATOM 0 HD22 LEU A 109 74.076 56.814 26.061 1.00 6.72 H new ATOM 0 HD23 LEU A 109 73.008 55.920 26.814 1.00 6.72 H new ATOM 730 N GLY A 110 76.093 52.884 29.581 1.00 11.97 N ATOM 731 CA GLY A 110 77.172 51.907 29.521 1.00 9.31 C ATOM 732 C GLY A 110 78.564 52.413 29.802 1.00 11.51 C ATOM 733 O GLY A 110 79.505 51.639 29.816 1.00 17.01 O ATOM 0 H GLY A 110 75.651 52.898 30.319 1.00 11.97 H new ATOM 0 HA2 GLY A 110 76.974 51.199 30.154 1.00 9.31 H new ATOM 0 HA3 GLY A 110 77.169 51.507 28.637 1.00 9.31 H new ATOM 734 N LYS A 111 78.697 53.704 30.058 1.00 12.38 N ATOM 735 CA LYS A 111 79.982 54.315 30.364 1.00 8.10 C ATOM 736 C LYS A 111 80.174 54.217 31.871 1.00 10.68 C ATOM 737 O LYS A 111 80.030 55.221 32.583 1.00 16.30 O ATOM 738 CB LYS A 111 79.976 55.778 29.908 1.00 3.04 C ATOM 739 CG LYS A 111 79.700 55.948 28.422 1.00 2.00 C ATOM 740 CD LYS A 111 79.732 57.406 28.032 1.00 5.49 C ATOM 741 CE LYS A 111 81.036 58.048 28.506 1.00 12.71 C ATOM 742 NZ LYS A 111 81.205 59.500 28.101 1.00 17.09 N ATOM 0 H LYS A 111 78.038 54.257 30.059 1.00 12.38 H new ATOM 0 HA LYS A 111 80.708 53.866 29.904 1.00 8.10 H new ATOM 0 HB2 LYS A 111 79.305 56.264 30.412 1.00 3.04 H new ATOM 0 HB3 LYS A 111 80.834 56.179 30.118 1.00 3.04 H new ATOM 0 HG2 LYS A 111 80.360 55.457 27.908 1.00 2.00 H new ATOM 0 HG3 LYS A 111 78.833 55.570 28.205 1.00 2.00 H new ATOM 0 HD2 LYS A 111 79.652 57.492 27.069 1.00 5.49 H new ATOM 0 HD3 LYS A 111 78.974 57.869 28.422 1.00 5.49 H new ATOM 0 HE2 LYS A 111 81.081 57.986 29.473 1.00 12.71 H new ATOM 0 HE3 LYS A 111 81.782 57.537 28.154 1.00 12.71 H new ATOM 0 HZ1 LYS A 111 82.001 59.793 28.372 1.00 17.09 H new ATOM 0 HZ2 LYS A 111 81.149 59.570 27.216 1.00 17.09 H new ATOM 0 HZ3 LYS A 111 80.565 59.990 28.478 1.00 17.09 H new ATOM 743 N PHE A 112 80.487 53.010 32.351 1.00 9.56 N ATOM 744 CA PHE A 112 80.666 52.727 33.781 1.00 8.49 C ATOM 745 C PHE A 112 81.801 53.454 34.494 1.00 11.07 C ATOM 746 O PHE A 112 81.676 53.821 35.658 1.00 17.95 O ATOM 747 CB PHE A 112 80.857 51.232 34.003 1.00 13.54 C ATOM 748 CG PHE A 112 79.791 50.378 33.385 1.00 14.29 C ATOM 749 CD1 PHE A 112 78.546 50.901 33.062 1.00 12.72 C ATOM 750 CD2 PHE A 112 80.042 49.031 33.132 1.00 15.92 C ATOM 751 CE1 PHE A 112 77.555 50.101 32.508 1.00 12.45 C ATOM 752 CE2 PHE A 112 79.056 48.218 32.570 1.00 17.21 C ATOM 753 CZ PHE A 112 77.808 48.761 32.255 1.00 14.75 C ATOM 0 H PHE A 112 80.603 52.322 31.848 1.00 9.56 H new ATOM 0 HA PHE A 112 79.848 53.068 34.175 1.00 8.49 H new ATOM 0 HB2 PHE A 112 81.718 50.969 33.642 1.00 13.54 H new ATOM 0 HB3 PHE A 112 80.884 51.058 34.957 1.00 13.54 H new ATOM 0 HD1 PHE A 112 78.373 51.801 33.219 1.00 12.72 H new ATOM 0 HD2 PHE A 112 80.874 48.670 33.339 1.00 15.92 H new ATOM 0 HE1 PHE A 112 76.723 50.464 32.307 1.00 12.45 H new ATOM 0 HE2 PHE A 112 79.229 47.319 32.406 1.00 17.21 H new ATOM 0 HZ PHE A 112 77.149 48.225 31.877 1.00 14.75 H new ATOM 754 N ARG A 113 82.944 53.596 33.842 1.00 15.01 N ATOM 755 CA ARG A 113 84.067 54.283 34.463 1.00 10.61 C ATOM 756 C ARG A 113 83.824 55.781 34.583 1.00 9.24 C ATOM 757 O ARG A 113 84.376 56.428 35.472 1.00 17.19 O ATOM 758 CB ARG A 113 85.345 54.013 33.690 1.00 10.97 C ATOM 759 CG ARG A 113 85.727 52.554 33.661 1.00 15.88 C ATOM 760 CD ARG A 113 86.834 52.309 32.639 1.00 19.30 C ATOM 761 NE ARG A 113 87.921 53.272 32.791 1.00 25.98 N ATOM 762 CZ ARG A 113 88.384 54.047 31.814 1.00 28.58 C ATOM 763 NH1 ARG A 113 87.851 53.982 30.596 1.00 33.18 N ATOM 764 NH2 ARG A 113 89.412 54.853 32.044 1.00 26.28 N ATOM 0 H ARG A 113 83.091 53.305 33.046 1.00 15.01 H new ATOM 0 HA ARG A 113 84.161 53.932 35.363 1.00 10.61 H new ATOM 0 HB2 ARG A 113 85.239 54.331 32.780 1.00 10.97 H new ATOM 0 HB3 ARG A 113 86.069 54.523 34.086 1.00 10.97 H new ATOM 0 HG2 ARG A 113 86.025 52.275 34.541 1.00 15.88 H new ATOM 0 HG3 ARG A 113 84.951 52.016 33.440 1.00 15.88 H new ATOM 0 HD2 ARG A 113 87.180 51.409 32.744 1.00 19.30 H new ATOM 0 HD3 ARG A 113 86.468 52.370 31.743 1.00 19.30 H new ATOM 0 HE ARG A 113 88.287 53.343 33.566 1.00 25.98 H new ATOM 0 HH11 ARG A 113 87.204 53.437 30.438 1.00 33.18 H new ATOM 0 HH12 ARG A 113 88.153 54.485 29.967 1.00 33.18 H new ATOM 0 HH21 ARG A 113 89.777 54.873 32.823 1.00 26.28 H new ATOM 0 HH22 ARG A 113 89.714 55.355 31.415 1.00 26.28 H new ATOM 765 N ALA A 114 83.050 56.351 33.673 1.00 6.47 N ATOM 766 CA ALA A 114 82.724 57.778 33.760 1.00 11.60 C ATOM 767 C ALA A 114 81.838 58.043 35.008 1.00 10.87 C ATOM 768 O ALA A 114 81.909 59.099 35.650 1.00 8.70 O ATOM 769 CB ALA A 114 82.000 58.229 32.501 1.00 6.90 C ATOM 0 H ALA A 114 82.703 55.940 33.002 1.00 6.47 H new ATOM 0 HA ALA A 114 83.548 58.284 33.844 1.00 11.60 H new ATOM 0 HB1 ALA A 114 81.789 59.173 32.569 1.00 6.90 H new ATOM 0 HB2 ALA A 114 82.569 58.080 31.729 1.00 6.90 H new ATOM 0 HB3 ALA A 114 81.179 57.722 32.400 1.00 6.90 H new ATOM 770 N ALA A 115 80.989 57.064 35.295 1.00 10.21 N ATOM 771 CA ALA A 115 80.064 57.051 36.421 1.00 11.96 C ATOM 772 C ALA A 115 80.834 56.899 37.724 1.00 14.33 C ATOM 773 O ALA A 115 80.545 57.569 38.724 1.00 14.46 O ATOM 774 CB ALA A 115 79.099 55.872 36.262 1.00 9.62 C ATOM 0 H ALA A 115 80.934 56.353 34.814 1.00 10.21 H new ATOM 0 HA ALA A 115 79.569 57.885 36.440 1.00 11.96 H new ATOM 0 HB1 ALA A 115 78.480 55.857 37.009 1.00 9.62 H new ATOM 0 HB2 ALA A 115 78.604 55.969 35.434 1.00 9.62 H new ATOM 0 HB3 ALA A 115 79.602 55.043 36.243 1.00 9.62 H new ATOM 775 N LEU A 116 81.806 55.992 37.709 1.00 15.52 N ATOM 776 CA LEU A 116 82.636 55.720 38.866 1.00 13.62 C ATOM 777 C LEU A 116 83.340 56.982 39.285 1.00 13.45 C ATOM 778 O LEU A 116 83.516 57.230 40.473 1.00 18.88 O ATOM 779 CB LEU A 116 83.641 54.623 38.541 1.00 14.00 C ATOM 780 CG LEU A 116 84.462 54.078 39.704 1.00 13.91 C ATOM 781 CD1 LEU A 116 83.598 53.337 40.717 1.00 10.46 C ATOM 782 CD2 LEU A 116 85.489 53.160 39.119 1.00 12.46 C ATOM 0 H LEU A 116 82.000 55.516 37.020 1.00 15.52 H new ATOM 0 HA LEU A 116 82.080 55.414 39.600 1.00 13.62 H new ATOM 0 HB2 LEU A 116 83.161 53.883 38.137 1.00 14.00 H new ATOM 0 HB3 LEU A 116 84.254 54.963 37.871 1.00 14.00 H new ATOM 0 HG LEU A 116 84.876 54.811 40.187 1.00 13.91 H new ATOM 0 HD11 LEU A 116 84.156 53.007 41.439 1.00 10.46 H new ATOM 0 HD12 LEU A 116 82.930 53.941 41.076 1.00 10.46 H new ATOM 0 HD13 LEU A 116 83.158 52.590 40.282 1.00 10.46 H new ATOM 0 HD21 LEU A 116 86.035 52.790 39.830 1.00 12.46 H new ATOM 0 HD22 LEU A 116 85.046 52.440 38.644 1.00 12.46 H new ATOM 0 HD23 LEU A 116 86.052 53.655 38.503 1.00 12.46 H new ATOM 783 N ARG A 117 83.725 57.792 38.302 1.00 17.62 N ATOM 784 CA ARG A 117 84.393 59.062 38.573 1.00 17.75 C ATOM 785 C ARG A 117 83.508 59.958 39.427 1.00 16.57 C ATOM 786 O ARG A 117 83.983 60.585 40.354 1.00 23.53 O ATOM 787 CB ARG A 117 84.807 59.760 37.263 1.00 23.12 C ATOM 788 CG ARG A 117 86.040 59.127 36.601 1.00 31.26 C ATOM 789 CD ARG A 117 86.532 59.862 35.341 1.00 37.47 C ATOM 790 NE ARG A 117 86.047 59.267 34.083 1.00 41.65 N ATOM 791 CZ ARG A 117 86.768 58.464 33.296 1.00 42.27 C ATOM 792 NH1 ARG A 117 88.012 58.137 33.624 1.00 43.31 N ATOM 793 NH2 ARG A 117 86.255 58.013 32.162 1.00 38.45 N ATOM 0 H ARG A 117 83.608 57.623 37.467 1.00 17.62 H new ATOM 0 HA ARG A 117 85.204 58.881 39.073 1.00 17.75 H new ATOM 0 HB2 ARG A 117 84.064 59.733 36.640 1.00 23.12 H new ATOM 0 HB3 ARG A 117 84.990 60.695 37.446 1.00 23.12 H new ATOM 0 HG2 ARG A 117 86.762 59.098 37.248 1.00 31.26 H new ATOM 0 HG3 ARG A 117 85.832 58.209 36.366 1.00 31.26 H new ATOM 0 HD2 ARG A 117 86.246 60.788 35.383 1.00 37.47 H new ATOM 0 HD3 ARG A 117 87.502 59.865 35.336 1.00 37.47 H new ATOM 0 HE ARG A 117 85.243 59.450 33.838 1.00 41.65 H new ATOM 0 HH11 ARG A 117 88.360 58.443 34.349 1.00 43.31 H new ATOM 0 HH12 ARG A 117 88.470 57.619 33.112 1.00 43.31 H new ATOM 0 HH21 ARG A 117 85.457 58.237 31.932 1.00 38.45 H new ATOM 0 HH22 ARG A 117 86.720 57.496 31.656 1.00 38.45 H new ATOM 794 N ASP A 118 82.214 59.980 39.145 1.00 18.39 N ATOM 795 CA ASP A 118 81.274 60.792 39.908 1.00 19.70 C ATOM 796 C ASP A 118 80.997 60.207 41.289 1.00 22.28 C ATOM 797 O ASP A 118 80.945 60.959 42.273 1.00 25.04 O ATOM 798 CB ASP A 118 79.975 61.033 39.126 1.00 16.16 C ATOM 799 CG ASP A 118 80.091 62.195 38.154 1.00 13.60 C ATOM 800 OD1 ASP A 118 80.977 63.058 38.334 1.00 14.90 O ATOM 801 OD2 ASP A 118 79.281 62.273 37.226 1.00 10.64 O ATOM 0 H ASP A 118 81.855 59.527 38.508 1.00 18.39 H new ATOM 0 HA ASP A 118 81.695 61.654 40.048 1.00 19.70 H new ATOM 0 HB2 ASP A 118 79.740 60.228 38.638 1.00 16.16 H new ATOM 0 HB3 ASP A 118 79.253 61.207 39.750 1.00 16.16 H new ATOM 802 N TYR A 119 80.830 58.885 41.385 1.00 19.79 N ATOM 803 CA TYR A 119 80.605 58.270 42.703 1.00 18.08 C ATOM 804 C TYR A 119 81.822 58.521 43.588 1.00 16.39 C ATOM 805 O TYR A 119 81.686 58.727 44.778 1.00 21.93 O ATOM 806 CB TYR A 119 80.289 56.769 42.607 1.00 16.05 C ATOM 807 CG TYR A 119 78.926 56.476 41.994 1.00 12.62 C ATOM 808 CD1 TYR A 119 77.767 57.124 42.438 1.00 10.68 C ATOM 809 CD2 TYR A 119 78.804 55.601 40.921 1.00 13.79 C ATOM 810 CE1 TYR A 119 76.539 56.909 41.812 1.00 4.99 C ATOM 811 CE2 TYR A 119 77.579 55.380 40.303 1.00 9.79 C ATOM 812 CZ TYR A 119 76.461 56.036 40.745 1.00 6.07 C ATOM 813 OH TYR A 119 75.285 55.828 40.064 1.00 10.41 O ATOM 0 H TYR A 119 80.842 58.338 40.722 1.00 19.79 H new ATOM 0 HA TYR A 119 79.823 58.684 43.100 1.00 18.08 H new ATOM 0 HB2 TYR A 119 80.975 56.334 42.077 1.00 16.05 H new ATOM 0 HB3 TYR A 119 80.327 56.380 43.495 1.00 16.05 H new ATOM 0 HD1 TYR A 119 77.817 57.707 43.161 1.00 10.68 H new ATOM 0 HD2 TYR A 119 79.558 55.154 40.610 1.00 13.79 H new ATOM 0 HE1 TYR A 119 75.778 57.351 42.111 1.00 4.99 H new ATOM 0 HE2 TYR A 119 77.518 54.787 39.589 1.00 9.79 H new ATOM 0 HH TYR A 119 74.704 56.370 40.336 1.00 10.41 H new ATOM 814 N GLU A 120 83.002 58.573 42.989 1.00 18.82 N ATOM 815 CA GLU A 120 84.222 58.860 43.729 1.00 20.13 C ATOM 816 C GLU A 120 84.152 60.274 44.305 1.00 20.92 C ATOM 817 O GLU A 120 84.458 60.492 45.468 1.00 24.66 O ATOM 818 CB GLU A 120 85.436 58.737 42.809 1.00 22.53 C ATOM 819 CG GLU A 120 86.790 58.997 43.480 1.00 27.12 C ATOM 820 CD GLU A 120 87.973 58.876 42.524 1.00 29.19 C ATOM 821 OE1 GLU A 120 88.273 57.746 42.077 1.00 29.40 O ATOM 822 OE2 GLU A 120 88.600 59.921 42.229 1.00 32.13 O ATOM 0 H GLU A 120 83.119 58.444 42.147 1.00 18.82 H new ATOM 0 HA GLU A 120 84.310 58.221 44.453 1.00 20.13 H new ATOM 0 HB2 GLU A 120 85.446 57.845 42.427 1.00 22.53 H new ATOM 0 HB3 GLU A 120 85.331 59.360 42.073 1.00 22.53 H new ATOM 0 HG2 GLU A 120 86.786 59.886 43.868 1.00 27.12 H new ATOM 0 HG3 GLU A 120 86.907 58.369 44.210 1.00 27.12 H new ATOM 823 N THR A 121 83.778 61.239 43.475 1.00 20.20 N ATOM 824 CA THR A 121 83.667 62.621 43.900 1.00 19.81 C ATOM 825 C THR A 121 82.763 62.695 45.149 1.00 23.89 C ATOM 826 O THR A 121 83.165 63.193 46.193 1.00 27.36 O ATOM 827 CB THR A 121 83.099 63.489 42.740 1.00 20.65 C ATOM 828 OG1 THR A 121 84.074 63.596 41.694 1.00 25.26 O ATOM 829 CG2 THR A 121 82.731 64.878 43.207 1.00 21.64 C ATOM 0 H THR A 121 83.582 61.108 42.648 1.00 20.20 H new ATOM 0 HA THR A 121 84.543 62.969 44.130 1.00 19.81 H new ATOM 0 HB THR A 121 82.296 63.052 42.414 1.00 20.65 H new ATOM 0 HG1 THR A 121 83.694 63.813 40.977 1.00 25.26 H new ATOM 0 HG21 THR A 121 82.382 65.389 42.460 1.00 21.64 H new ATOM 0 HG22 THR A 121 82.056 64.818 43.901 1.00 21.64 H new ATOM 0 HG23 THR A 121 83.519 65.320 43.560 1.00 21.64 H new ATOM 830 N VAL A 122 81.578 62.117 45.071 1.00 21.25 N ATOM 831 CA VAL A 122 80.674 62.139 46.197 1.00 20.07 C ATOM 832 C VAL A 122 81.305 61.460 47.416 1.00 18.11 C ATOM 833 O VAL A 122 81.248 61.997 48.503 1.00 21.00 O ATOM 834 CB VAL A 122 79.307 61.502 45.826 1.00 20.62 C ATOM 835 CG1 VAL A 122 78.372 61.550 47.007 1.00 23.93 C ATOM 836 CG2 VAL A 122 78.673 62.250 44.669 1.00 15.25 C ATOM 0 H VAL A 122 81.280 61.708 44.375 1.00 21.25 H new ATOM 0 HA VAL A 122 80.506 63.064 46.434 1.00 20.07 H new ATOM 0 HB VAL A 122 79.463 60.580 45.570 1.00 20.62 H new ATOM 0 HG11 VAL A 122 77.522 61.150 46.764 1.00 23.93 H new ATOM 0 HG12 VAL A 122 78.760 61.058 47.748 1.00 23.93 H new ATOM 0 HG13 VAL A 122 78.231 62.473 47.271 1.00 23.93 H new ATOM 0 HG21 VAL A 122 77.821 61.842 44.448 1.00 15.25 H new ATOM 0 HG22 VAL A 122 78.532 63.176 44.921 1.00 15.25 H new ATOM 0 HG23 VAL A 122 79.260 62.211 43.898 1.00 15.25 H new ATOM 837 N VAL A 123 81.953 60.319 47.240 1.00 18.17 N ATOM 838 CA VAL A 123 82.568 59.638 48.381 1.00 21.46 C ATOM 839 C VAL A 123 83.618 60.510 49.030 1.00 22.50 C ATOM 840 O VAL A 123 83.860 60.401 50.214 1.00 25.36 O ATOM 841 CB VAL A 123 83.232 58.285 47.998 1.00 22.65 C ATOM 842 CG1 VAL A 123 84.076 57.777 49.141 1.00 24.92 C ATOM 843 CG2 VAL A 123 82.178 57.244 47.717 1.00 25.62 C ATOM 0 H VAL A 123 82.050 59.923 46.483 1.00 18.17 H new ATOM 0 HA VAL A 123 81.841 59.460 48.998 1.00 21.46 H new ATOM 0 HB VAL A 123 83.778 58.436 47.211 1.00 22.65 H new ATOM 0 HG11 VAL A 123 84.485 56.934 48.892 1.00 24.92 H new ATOM 0 HG12 VAL A 123 84.769 58.424 49.344 1.00 24.92 H new ATOM 0 HG13 VAL A 123 83.517 57.646 49.923 1.00 24.92 H new ATOM 0 HG21 VAL A 123 82.605 56.406 47.480 1.00 25.62 H new ATOM 0 HG22 VAL A 123 81.631 57.115 48.508 1.00 25.62 H new ATOM 0 HG23 VAL A 123 81.618 57.540 46.982 1.00 25.62 H new ATOM 844 N LYS A 124 84.252 61.369 48.249 1.00 25.97 N ATOM 845 CA LYS A 124 85.285 62.250 48.781 1.00 29.93 C ATOM 846 C LYS A 124 84.770 63.404 49.648 1.00 31.89 C ATOM 847 O LYS A 124 85.460 63.843 50.561 1.00 34.71 O ATOM 848 CB LYS A 124 86.181 62.789 47.657 1.00 33.26 C ATOM 849 CG LYS A 124 87.308 61.855 47.240 1.00 35.62 C ATOM 850 CD LYS A 124 88.251 62.519 46.223 1.00 39.47 C ATOM 851 CE LYS A 124 87.625 62.590 44.841 1.00 40.64 C ATOM 852 NZ LYS A 124 88.644 62.616 43.760 1.00 43.30 N ATOM 0 H LYS A 124 84.101 61.460 47.407 1.00 25.97 H new ATOM 0 HA LYS A 124 85.803 61.688 49.378 1.00 29.93 H new ATOM 0 HB2 LYS A 124 85.629 62.977 46.882 1.00 33.26 H new ATOM 0 HB3 LYS A 124 86.565 63.633 47.943 1.00 33.26 H new ATOM 0 HG2 LYS A 124 87.813 61.588 48.024 1.00 35.62 H new ATOM 0 HG3 LYS A 124 86.933 61.047 46.855 1.00 35.62 H new ATOM 0 HD2 LYS A 124 88.474 63.414 46.524 1.00 39.47 H new ATOM 0 HD3 LYS A 124 89.081 62.020 46.177 1.00 39.47 H new ATOM 0 HE2 LYS A 124 87.041 61.826 44.713 1.00 40.64 H new ATOM 0 HE3 LYS A 124 87.071 63.384 44.780 1.00 40.64 H new ATOM 0 HZ1 LYS A 124 88.460 63.278 43.194 1.00 43.30 H new ATOM 0 HZ2 LYS A 124 89.450 62.745 44.115 1.00 43.30 H new ATOM 0 HZ3 LYS A 124 88.633 61.841 43.323 1.00 43.30 H new ATOM 853 N VAL A 125 83.595 63.936 49.335 1.00 35.29 N ATOM 854 CA VAL A 125 83.022 65.026 50.123 1.00 34.42 C ATOM 855 C VAL A 125 82.109 64.512 51.250 1.00 31.29 C ATOM 856 O VAL A 125 81.939 65.182 52.264 1.00 36.97 O ATOM 857 CB VAL A 125 82.347 66.122 49.232 1.00 39.10 C ATOM 858 CG1 VAL A 125 81.636 65.502 48.031 1.00 40.84 C ATOM 859 CG2 VAL A 125 81.356 66.963 50.054 1.00 45.22 C ATOM 0 H VAL A 125 83.112 63.682 48.671 1.00 35.29 H new ATOM 0 HA VAL A 125 83.763 65.471 50.563 1.00 34.42 H new ATOM 0 HB VAL A 125 83.051 66.702 48.903 1.00 39.10 H new ATOM 0 HG11 VAL A 125 81.228 66.203 47.499 1.00 40.84 H new ATOM 0 HG12 VAL A 125 82.278 65.017 47.489 1.00 40.84 H new ATOM 0 HG13 VAL A 125 80.949 64.891 48.341 1.00 40.84 H new ATOM 0 HG21 VAL A 125 80.950 67.634 49.484 1.00 45.22 H new ATOM 0 HG22 VAL A 125 80.665 66.387 50.416 1.00 45.22 H new ATOM 0 HG23 VAL A 125 81.827 67.399 50.781 1.00 45.22 H new ATOM 860 N LYS A 126 81.536 63.321 51.087 1.00 27.05 N ATOM 861 CA LYS A 126 80.716 62.710 52.137 1.00 22.36 C ATOM 862 C LYS A 126 81.489 61.457 52.534 1.00 22.94 C ATOM 863 O LYS A 126 81.022 60.327 52.350 1.00 26.67 O ATOM 864 CB LYS A 126 79.332 62.320 51.631 1.00 21.40 C ATOM 865 CG LYS A 126 78.382 63.471 51.434 1.00 25.03 C ATOM 866 CD LYS A 126 76.973 62.968 51.067 1.00 27.16 C ATOM 867 CE LYS A 126 75.960 64.125 50.980 1.00 32.64 C ATOM 868 NZ LYS A 126 74.594 63.718 50.496 1.00 34.67 N ATOM 0 H LYS A 126 81.609 62.847 50.373 1.00 27.05 H new ATOM 0 HA LYS A 126 80.568 63.326 52.872 1.00 22.36 H new ATOM 0 HB2 LYS A 126 79.431 61.851 50.788 1.00 21.40 H new ATOM 0 HB3 LYS A 126 78.937 61.695 52.259 1.00 21.40 H new ATOM 0 HG2 LYS A 126 78.339 64.001 52.245 1.00 25.03 H new ATOM 0 HG3 LYS A 126 78.714 64.053 50.732 1.00 25.03 H new ATOM 0 HD2 LYS A 126 77.007 62.502 50.217 1.00 27.16 H new ATOM 0 HD3 LYS A 126 76.675 62.326 51.730 1.00 27.16 H new ATOM 0 HE2 LYS A 126 75.873 64.531 51.856 1.00 32.64 H new ATOM 0 HE3 LYS A 126 76.313 64.806 50.386 1.00 32.64 H new ATOM 0 HZ1 LYS A 126 74.063 64.432 50.470 1.00 34.67 H new ATOM 0 HZ2 LYS A 126 74.660 63.368 49.680 1.00 34.67 H new ATOM 0 HZ3 LYS A 126 74.250 63.113 51.051 1.00 34.67 H new ATOM 869 N PRO A 127 82.644 61.646 53.191 1.00 19.68 N ATOM 870 CA PRO A 127 83.442 60.491 53.586 1.00 21.69 C ATOM 871 C PRO A 127 82.796 59.410 54.413 1.00 26.61 C ATOM 872 O PRO A 127 83.125 58.239 54.236 1.00 25.14 O ATOM 873 CB PRO A 127 84.646 61.121 54.281 1.00 18.38 C ATOM 874 CG PRO A 127 84.145 62.437 54.757 1.00 22.43 C ATOM 875 CD PRO A 127 83.234 62.900 53.678 1.00 20.28 C ATOM 0 HA PRO A 127 83.644 59.966 52.796 1.00 21.69 H new ATOM 0 HB2 PRO A 127 84.957 60.572 55.018 1.00 18.38 H new ATOM 0 HB3 PRO A 127 85.393 61.226 53.671 1.00 18.38 H new ATOM 0 HG2 PRO A 127 83.677 62.352 55.602 1.00 22.43 H new ATOM 0 HG3 PRO A 127 84.873 63.062 54.897 1.00 22.43 H new ATOM 0 HD2 PRO A 127 82.558 63.509 54.014 1.00 20.28 H new ATOM 0 HD3 PRO A 127 83.714 63.368 52.977 1.00 20.28 H new ATOM 876 N HIS A 128 81.858 59.771 55.289 1.00 31.68 N ATOM 877 CA HIS A 128 81.224 58.774 56.156 1.00 31.18 C ATOM 878 C HIS A 128 79.818 58.445 55.735 1.00 31.73 C ATOM 879 O HIS A 128 79.067 57.811 56.472 1.00 35.32 O ATOM 880 CB HIS A 128 81.216 59.258 57.599 1.00 31.64 C ATOM 881 CG HIS A 128 82.540 59.797 58.052 1.00 34.48 C ATOM 882 ND1 HIS A 128 82.723 61.126 58.380 1.00 37.21 N ATOM 883 CD2 HIS A 128 83.739 59.196 58.225 1.00 32.54 C ATOM 884 CE1 HIS A 128 83.986 61.313 58.737 1.00 37.97 C ATOM 885 NE2 HIS A 128 84.615 60.160 58.652 1.00 36.17 N ATOM 0 H HIS A 128 81.577 60.576 55.397 1.00 31.68 H new ATOM 0 HA HIS A 128 81.751 57.964 56.076 1.00 31.18 H new ATOM 0 HB2 HIS A 128 80.542 59.948 57.698 1.00 31.64 H new ATOM 0 HB3 HIS A 128 80.958 58.524 58.178 1.00 31.64 H new ATOM 0 HD2 HIS A 128 83.933 58.298 58.081 1.00 32.54 H new ATOM 0 HE1 HIS A 128 84.363 62.121 59.002 1.00 37.97 H new ATOM 0 HE2 HIS A 128 85.445 60.032 58.836 1.00 36.17 H new ATOM 886 N ASP A 129 79.431 58.909 54.564 1.00 27.65 N ATOM 887 CA ASP A 129 78.112 58.597 54.142 1.00 25.52 C ATOM 888 C ASP A 129 78.238 57.218 53.612 1.00 26.06 C ATOM 889 O ASP A 129 78.926 57.001 52.640 1.00 30.10 O ATOM 890 CB ASP A 129 77.652 59.535 53.056 1.00 29.16 C ATOM 891 CG ASP A 129 76.293 59.186 52.548 1.00 31.67 C ATOM 892 OD1 ASP A 129 75.460 58.647 53.312 1.00 35.94 O ATOM 893 OD2 ASP A 129 76.055 59.448 51.361 1.00 36.96 O ATOM 0 H ASP A 129 79.903 59.386 54.026 1.00 27.65 H new ATOM 0 HA ASP A 129 77.462 58.677 54.858 1.00 25.52 H new ATOM 0 HB2 ASP A 129 77.645 60.443 53.397 1.00 29.16 H new ATOM 0 HB3 ASP A 129 78.286 59.513 52.322 1.00 29.16 H new ATOM 894 N LYS A 130 77.708 56.276 54.367 1.00 29.81 N ATOM 895 CA LYS A 130 77.692 54.860 54.012 1.00 34.30 C ATOM 896 C LYS A 130 77.034 54.680 52.635 1.00 35.30 C ATOM 897 O LYS A 130 77.347 53.752 51.880 1.00 33.93 O ATOM 898 CB LYS A 130 76.913 54.080 55.081 1.00 38.98 C ATOM 899 CG LYS A 130 76.200 54.976 56.141 1.00 48.39 C ATOM 900 CD LYS A 130 75.113 55.923 55.534 1.00 48.76 C ATOM 901 CE LYS A 130 74.794 57.128 56.429 1.00 45.41 C ATOM 902 NZ LYS A 130 73.679 57.962 55.879 1.00 43.02 N ATOM 0 H LYS A 130 77.335 56.441 55.124 1.00 29.81 H new ATOM 0 HA LYS A 130 78.600 54.521 53.970 1.00 34.30 H new ATOM 0 HB2 LYS A 130 76.248 53.526 54.642 1.00 38.98 H new ATOM 0 HB3 LYS A 130 77.524 53.481 55.538 1.00 38.98 H new ATOM 0 HG2 LYS A 130 75.786 54.407 56.808 1.00 48.39 H new ATOM 0 HG3 LYS A 130 76.865 55.512 56.600 1.00 48.39 H new ATOM 0 HD2 LYS A 130 75.416 56.241 54.669 1.00 48.76 H new ATOM 0 HD3 LYS A 130 74.300 55.417 55.381 1.00 48.76 H new ATOM 0 HE2 LYS A 130 74.555 56.816 57.316 1.00 45.41 H new ATOM 0 HE3 LYS A 130 75.588 57.676 56.526 1.00 45.41 H new ATOM 0 HZ1 LYS A 130 73.495 58.623 56.446 1.00 43.02 H new ATOM 0 HZ2 LYS A 130 73.923 58.303 55.094 1.00 43.02 H new ATOM 0 HZ3 LYS A 130 72.955 57.456 55.770 1.00 43.02 H new ATOM 903 N ASP A 131 76.132 55.600 52.322 1.00 37.54 N ATOM 904 CA ASP A 131 75.394 55.641 51.064 1.00 37.53 C ATOM 905 C ASP A 131 76.404 55.776 49.909 1.00 35.94 C ATOM 906 O ASP A 131 76.474 54.919 49.023 1.00 35.72 O ATOM 907 CB ASP A 131 74.491 56.874 51.112 1.00 45.41 C ATOM 908 CG ASP A 131 73.202 56.713 50.358 1.00 49.67 C ATOM 909 OD1 ASP A 131 73.155 55.952 49.370 1.00 52.63 O ATOM 910 OD2 ASP A 131 72.230 57.400 50.749 1.00 54.62 O ATOM 0 H ASP A 131 75.924 56.242 52.855 1.00 37.54 H new ATOM 0 HA ASP A 131 74.865 54.839 50.931 1.00 37.53 H new ATOM 0 HB2 ASP A 131 74.290 57.081 52.038 1.00 45.41 H new ATOM 0 HB3 ASP A 131 74.975 57.633 50.750 1.00 45.41 H new ATOM 911 N ALA A 132 77.192 56.852 49.932 1.00 33.82 N ATOM 912 CA ALA A 132 78.203 57.105 48.910 1.00 35.33 C ATOM 913 C ALA A 132 79.071 55.861 48.689 1.00 40.11 C ATOM 914 O ALA A 132 79.280 55.432 47.540 1.00 43.69 O ATOM 915 CB ALA A 132 79.061 58.289 49.304 1.00 28.59 C ATOM 0 H ALA A 132 77.153 57.456 50.543 1.00 33.82 H new ATOM 0 HA ALA A 132 77.753 57.312 48.076 1.00 35.33 H new ATOM 0 HB1 ALA A 132 79.729 58.448 48.618 1.00 28.59 H new ATOM 0 HB2 ALA A 132 78.502 59.076 49.399 1.00 28.59 H new ATOM 0 HB3 ALA A 132 79.502 58.103 50.147 1.00 28.59 H new ATOM 916 N LYS A 133 79.515 55.259 49.798 1.00 41.38 N ATOM 917 CA LYS A 133 80.347 54.048 49.783 1.00 36.80 C ATOM 918 C LYS A 133 79.665 52.917 49.073 1.00 30.33 C ATOM 919 O LYS A 133 80.251 52.305 48.216 1.00 30.92 O ATOM 920 CB LYS A 133 80.687 53.606 51.200 1.00 40.00 C ATOM 921 CG LYS A 133 81.429 54.670 51.956 1.00 45.41 C ATOM 922 CD LYS A 133 81.727 54.259 53.379 1.00 50.02 C ATOM 923 CE LYS A 133 82.438 55.397 54.097 1.00 51.68 C ATOM 924 NZ LYS A 133 83.523 56.025 53.273 1.00 51.91 N ATOM 0 H LYS A 133 79.339 55.546 50.590 1.00 41.38 H new ATOM 0 HA LYS A 133 81.161 54.273 49.306 1.00 36.80 H new ATOM 0 HB2 LYS A 133 79.870 53.383 51.674 1.00 40.00 H new ATOM 0 HB3 LYS A 133 81.224 52.799 51.166 1.00 40.00 H new ATOM 0 HG2 LYS A 133 82.261 54.869 51.498 1.00 45.41 H new ATOM 0 HG3 LYS A 133 80.905 55.486 51.960 1.00 45.41 H new ATOM 0 HD2 LYS A 133 80.904 54.037 53.841 1.00 50.02 H new ATOM 0 HD3 LYS A 133 82.281 53.463 53.387 1.00 50.02 H new ATOM 0 HE2 LYS A 133 81.789 56.076 54.338 1.00 51.68 H new ATOM 0 HE3 LYS A 133 82.820 55.063 54.924 1.00 51.68 H new ATOM 0 HZ1 LYS A 133 83.876 56.709 53.719 1.00 51.91 H new ATOM 0 HZ2 LYS A 133 84.156 55.422 53.106 1.00 51.91 H new ATOM 0 HZ3 LYS A 133 83.181 56.317 52.505 1.00 51.91 H new ATOM 925 N MET A 134 78.416 52.664 49.422 1.00 30.06 N ATOM 926 CA MET A 134 77.648 51.600 48.811 1.00 33.38 C ATOM 927 C MET A 134 77.574 51.775 47.285 1.00 31.62 C ATOM 928 O MET A 134 77.898 50.856 46.542 1.00 28.65 O ATOM 929 CB MET A 134 76.239 51.581 49.409 1.00 42.15 C ATOM 930 CG MET A 134 75.542 50.200 49.447 1.00 52.30 C ATOM 931 SD MET A 134 73.809 50.129 50.141 1.00 59.44 S ATOM 932 CE MET A 134 73.902 51.399 51.529 1.00 55.71 C ATOM 0 H MET A 134 77.989 53.107 50.023 1.00 30.06 H new ATOM 0 HA MET A 134 78.090 50.756 48.992 1.00 33.38 H new ATOM 0 HB2 MET A 134 76.286 51.926 50.314 1.00 42.15 H new ATOM 0 HB3 MET A 134 75.682 52.192 48.901 1.00 42.15 H new ATOM 0 HG2 MET A 134 75.517 49.852 48.542 1.00 52.30 H new ATOM 0 HG3 MET A 134 76.098 49.598 49.967 1.00 52.30 H new ATOM 0 HE1 MET A 134 73.166 51.260 52.145 1.00 55.71 H new ATOM 0 HE2 MET A 134 74.743 51.300 52.003 1.00 55.71 H new ATOM 0 HE3 MET A 134 73.846 52.292 51.155 1.00 55.71 H new ATOM 933 N LYS A 135 77.184 52.959 46.819 1.00 31.01 N ATOM 934 CA LYS A 135 77.058 53.228 45.373 1.00 28.25 C ATOM 935 C LYS A 135 78.344 53.029 44.597 1.00 27.32 C ATOM 936 O LYS A 135 78.371 52.382 43.551 1.00 21.94 O ATOM 937 CB LYS A 135 76.553 54.643 45.144 1.00 24.34 C ATOM 938 CG LYS A 135 75.082 54.724 45.282 1.00 24.28 C ATOM 939 CD LYS A 135 74.619 56.134 45.397 1.00 24.77 C ATOM 940 CE LYS A 135 73.136 56.117 45.619 1.00 26.07 C ATOM 941 NZ LYS A 135 72.705 57.453 46.052 1.00 32.73 N ATOM 0 H LYS A 135 76.985 53.628 47.321 1.00 31.01 H new ATOM 0 HA LYS A 135 76.422 52.576 45.039 1.00 28.25 H new ATOM 0 HB2 LYS A 135 76.972 55.244 45.780 1.00 24.34 H new ATOM 0 HB3 LYS A 135 76.813 54.941 44.258 1.00 24.34 H new ATOM 0 HG2 LYS A 135 74.661 54.306 44.515 1.00 24.28 H new ATOM 0 HG3 LYS A 135 74.802 54.226 46.066 1.00 24.28 H new ATOM 0 HD2 LYS A 135 75.067 56.579 46.133 1.00 24.77 H new ATOM 0 HD3 LYS A 135 74.836 56.629 44.592 1.00 24.77 H new ATOM 0 HE2 LYS A 135 72.677 55.865 44.802 1.00 26.07 H new ATOM 0 HE3 LYS A 135 72.905 55.456 46.290 1.00 26.07 H new ATOM 0 HZ1 LYS A 135 72.434 57.418 46.899 1.00 32.73 H new ATOM 0 HZ2 LYS A 135 73.386 58.022 45.982 1.00 32.73 H new ATOM 0 HZ3 LYS A 135 72.033 57.730 45.538 1.00 32.73 H new ATOM 942 N TYR A 136 79.401 53.628 45.121 1.00 28.89 N ATOM 943 CA TYR A 136 80.718 53.533 44.547 1.00 31.04 C ATOM 944 C TYR A 136 81.198 52.063 44.515 1.00 34.32 C ATOM 945 O TYR A 136 81.927 51.675 43.603 1.00 37.23 O ATOM 946 CB TYR A 136 81.640 54.417 45.370 1.00 32.12 C ATOM 947 CG TYR A 136 83.070 54.395 44.940 1.00 33.93 C ATOM 948 CD1 TYR A 136 83.534 55.250 43.952 1.00 34.33 C ATOM 949 CD2 TYR A 136 83.962 53.501 45.516 1.00 36.94 C ATOM 950 CE1 TYR A 136 84.855 55.207 43.539 1.00 36.04 C ATOM 951 CE2 TYR A 136 85.277 53.455 45.114 1.00 39.00 C ATOM 952 CZ TYR A 136 85.715 54.303 44.124 1.00 37.34 C ATOM 953 OH TYR A 136 87.010 54.185 43.687 1.00 43.71 O ATOM 0 H TYR A 136 79.367 54.109 45.833 1.00 28.89 H new ATOM 0 HA TYR A 136 80.716 53.836 43.626 1.00 31.04 H new ATOM 0 HB2 TYR A 136 81.316 55.330 45.328 1.00 32.12 H new ATOM 0 HB3 TYR A 136 81.589 54.141 46.299 1.00 32.12 H new ATOM 0 HD1 TYR A 136 82.951 55.860 43.562 1.00 34.33 H new ATOM 0 HD2 TYR A 136 83.666 52.925 46.183 1.00 36.94 H new ATOM 0 HE1 TYR A 136 85.159 55.782 42.874 1.00 36.04 H new ATOM 0 HE2 TYR A 136 85.866 52.854 45.509 1.00 39.00 H new ATOM 0 HH TYR A 136 87.406 53.598 44.139 1.00 43.71 H new ATOM 954 N GLN A 137 80.797 51.253 45.502 1.00 34.48 N ATOM 955 CA GLN A 137 81.156 49.828 45.559 1.00 32.31 C ATOM 956 C GLN A 137 80.433 49.087 44.457 1.00 31.11 C ATOM 957 O GLN A 137 81.054 48.348 43.709 1.00 34.08 O ATOM 958 CB GLN A 137 80.780 49.182 46.898 1.00 36.50 C ATOM 959 CG GLN A 137 81.949 48.958 47.853 1.00 41.22 C ATOM 960 CD GLN A 137 82.308 50.193 48.661 1.00 45.58 C ATOM 961 OE1 GLN A 137 82.028 50.261 49.863 1.00 47.81 O ATOM 962 NE2 GLN A 137 82.929 51.179 48.011 1.00 46.33 N ATOM 0 H GLN A 137 80.308 51.515 46.159 1.00 34.48 H new ATOM 0 HA GLN A 137 82.119 49.771 45.454 1.00 32.31 H new ATOM 0 HB2 GLN A 137 80.122 49.742 47.339 1.00 36.50 H new ATOM 0 HB3 GLN A 137 80.354 48.328 46.722 1.00 36.50 H new ATOM 0 HG2 GLN A 137 81.729 48.234 48.460 1.00 41.22 H new ATOM 0 HG3 GLN A 137 82.725 48.675 47.344 1.00 41.22 H new ATOM 0 HE21 GLN A 137 83.108 51.096 47.174 1.00 46.33 H new ATOM 0 HE22 GLN A 137 83.150 51.897 48.429 1.00 46.33 H new ATOM 963 N GLU A 138 79.118 49.259 44.383 1.00 28.23 N ATOM 964 CA GLU A 138 78.314 48.630 43.339 1.00 29.65 C ATOM 965 C GLU A 138 79.007 48.898 42.001 1.00 27.51 C ATOM 966 O GLU A 138 79.274 47.984 41.218 1.00 27.65 O ATOM 967 CB GLU A 138 76.888 49.251 43.309 1.00 34.54 C ATOM 968 CG GLU A 138 76.228 49.392 41.891 1.00 40.52 C ATOM 969 CD GLU A 138 75.157 50.508 41.775 1.00 42.89 C ATOM 970 OE1 GLU A 138 74.052 50.312 42.333 1.00 46.66 O ATOM 971 OE2 GLU A 138 75.401 51.552 41.102 1.00 34.53 O ATOM 0 H GLU A 138 78.667 49.742 44.934 1.00 28.23 H new ATOM 0 HA GLU A 138 78.232 47.678 43.508 1.00 29.65 H new ATOM 0 HB2 GLU A 138 76.307 48.708 43.864 1.00 34.54 H new ATOM 0 HB3 GLU A 138 76.929 50.131 43.716 1.00 34.54 H new ATOM 0 HG2 GLU A 138 76.926 49.563 41.240 1.00 40.52 H new ATOM 0 HG3 GLU A 138 75.820 48.545 41.653 1.00 40.52 H new ATOM 972 N CYS A 139 79.355 50.160 41.789 1.00 23.44 N ATOM 973 CA CYS A 139 79.954 50.590 40.548 1.00 18.68 C ATOM 974 C CYS A 139 81.343 50.057 40.260 1.00 16.11 C ATOM 975 O CYS A 139 81.584 49.570 39.162 1.00 19.56 O ATOM 976 CB CYS A 139 79.875 52.113 40.422 1.00 18.13 C ATOM 977 SG CYS A 139 80.548 52.761 38.891 1.00 19.26 S ATOM 0 H CYS A 139 79.248 50.789 42.366 1.00 23.44 H new ATOM 0 HA CYS A 139 79.419 50.179 39.850 1.00 18.68 H new ATOM 0 HB2 CYS A 139 78.947 52.386 40.496 1.00 18.13 H new ATOM 0 HB3 CYS A 139 80.349 52.514 41.167 1.00 18.13 H new ATOM 0 HG CYS A 139 80.315 53.936 38.817 1.00 19.26 H new ATOM 978 N ASN A 140 82.258 50.129 41.217 1.00 16.87 N ATOM 979 CA ASN A 140 83.596 49.602 40.959 1.00 18.42 C ATOM 980 C ASN A 140 83.464 48.123 40.656 1.00 19.09 C ATOM 981 O ASN A 140 84.182 47.583 39.828 1.00 19.63 O ATOM 982 CB ASN A 140 84.532 49.806 42.144 1.00 19.86 C ATOM 983 CG ASN A 140 85.987 49.625 41.758 1.00 23.76 C ATOM 984 OD1 ASN A 140 86.330 49.579 40.581 1.00 26.34 O ATOM 985 ND2 ASN A 140 86.858 49.536 42.748 1.00 27.45 N ATOM 0 H ASN A 140 82.135 50.467 41.998 1.00 16.87 H new ATOM 0 HA ASN A 140 83.982 50.081 40.209 1.00 18.42 H new ATOM 0 HB2 ASN A 140 84.403 50.696 42.507 1.00 19.86 H new ATOM 0 HB3 ASN A 140 84.304 49.177 42.847 1.00 19.86 H new ATOM 0 HD21 ASN A 140 87.696 49.443 42.577 1.00 27.45 H new ATOM 0 HD22 ASN A 140 86.587 49.572 43.563 1.00 27.45 H new ATOM 986 N LYS A 141 82.465 47.497 41.265 1.00 23.43 N ATOM 987 CA LYS A 141 82.184 46.078 41.064 1.00 27.06 C ATOM 988 C LYS A 141 81.779 45.851 39.606 1.00 26.53 C ATOM 989 O LYS A 141 82.389 45.046 38.900 1.00 32.36 O ATOM 990 CB LYS A 141 81.058 45.644 42.009 1.00 28.91 C ATOM 991 CG LYS A 141 80.898 44.159 42.253 1.00 32.70 C ATOM 992 CD LYS A 141 79.762 43.959 43.244 1.00 35.09 C ATOM 993 CE LYS A 141 79.128 42.583 43.140 1.00 37.68 C ATOM 994 NZ LYS A 141 77.777 42.589 43.800 1.00 41.82 N ATOM 0 H LYS A 141 81.926 47.885 41.811 1.00 23.43 H new ATOM 0 HA LYS A 141 82.974 45.549 41.258 1.00 27.06 H new ATOM 0 HB2 LYS A 141 81.200 46.076 42.866 1.00 28.91 H new ATOM 0 HB3 LYS A 141 80.221 45.983 41.656 1.00 28.91 H new ATOM 0 HG2 LYS A 141 80.706 43.698 41.421 1.00 32.70 H new ATOM 0 HG3 LYS A 141 81.721 43.783 42.602 1.00 32.70 H new ATOM 0 HD2 LYS A 141 80.097 44.089 44.145 1.00 35.09 H new ATOM 0 HD3 LYS A 141 79.084 44.636 43.093 1.00 35.09 H new ATOM 0 HE2 LYS A 141 79.040 42.329 42.208 1.00 37.68 H new ATOM 0 HE3 LYS A 141 79.700 41.922 43.562 1.00 37.68 H new ATOM 0 HZ1 LYS A 141 77.411 41.780 43.735 1.00 41.82 H new ATOM 0 HZ2 LYS A 141 77.867 42.806 44.658 1.00 41.82 H new ATOM 0 HZ3 LYS A 141 77.252 43.184 43.397 1.00 41.82 H new ATOM 995 N ILE A 142 80.806 46.619 39.131 1.00 25.78 N ATOM 996 CA ILE A 142 80.333 46.493 37.756 1.00 18.49 C ATOM 997 C ILE A 142 81.443 46.742 36.730 1.00 18.11 C ATOM 998 O ILE A 142 81.398 46.213 35.623 1.00 21.41 O ATOM 999 CB ILE A 142 79.109 47.415 37.527 1.00 17.57 C ATOM 1000 CG1 ILE A 142 77.939 46.919 38.402 1.00 11.75 C ATOM 1001 CG2 ILE A 142 78.780 47.519 36.025 1.00 14.52 C ATOM 1002 CD1 ILE A 142 76.684 47.780 38.396 1.00 14.10 C ATOM 0 H ILE A 142 80.403 47.224 39.591 1.00 25.78 H new ATOM 0 HA ILE A 142 80.052 45.575 37.620 1.00 18.49 H new ATOM 0 HB ILE A 142 79.304 48.324 37.805 1.00 17.57 H new ATOM 0 HG12 ILE A 142 77.697 46.026 38.111 1.00 11.75 H new ATOM 0 HG13 ILE A 142 78.253 46.844 39.317 1.00 11.75 H new ATOM 0 HG21 ILE A 142 78.012 48.099 35.901 1.00 14.52 H new ATOM 0 HG22 ILE A 142 79.542 47.887 35.551 1.00 14.52 H new ATOM 0 HG23 ILE A 142 78.578 46.637 35.676 1.00 14.52 H new ATOM 0 HD11 ILE A 142 76.015 47.381 38.974 1.00 14.10 H new ATOM 0 HD12 ILE A 142 76.900 48.669 38.717 1.00 14.10 H new ATOM 0 HD13 ILE A 142 76.336 47.839 37.492 1.00 14.10 H new ATOM 1003 N VAL A 143 82.438 47.536 37.104 1.00 18.39 N ATOM 1004 CA VAL A 143 83.572 47.837 36.234 1.00 17.16 C ATOM 1005 C VAL A 143 84.490 46.610 36.172 1.00 24.03 C ATOM 1006 O VAL A 143 85.074 46.305 35.116 1.00 23.49 O ATOM 1007 CB VAL A 143 84.387 49.022 36.775 1.00 15.21 C ATOM 1008 CG1 VAL A 143 85.621 49.239 35.944 1.00 13.76 C ATOM 1009 CG2 VAL A 143 83.542 50.265 36.784 1.00 14.99 C ATOM 0 H VAL A 143 82.476 47.918 37.873 1.00 18.39 H new ATOM 0 HA VAL A 143 83.230 48.065 35.355 1.00 17.16 H new ATOM 0 HB VAL A 143 84.662 48.820 37.683 1.00 15.21 H new ATOM 0 HG11 VAL A 143 86.123 49.989 36.299 1.00 13.76 H new ATOM 0 HG12 VAL A 143 86.172 48.441 35.969 1.00 13.76 H new ATOM 0 HG13 VAL A 143 85.365 49.426 35.027 1.00 13.76 H new ATOM 0 HG21 VAL A 143 84.063 51.008 37.127 1.00 14.99 H new ATOM 0 HG22 VAL A 143 83.250 50.465 35.881 1.00 14.99 H new ATOM 0 HG23 VAL A 143 82.767 50.126 37.351 1.00 14.99 H new ATOM 1010 N LYS A 144 84.600 45.905 37.300 1.00 24.76 N ATOM 1011 CA LYS A 144 85.426 44.713 37.392 1.00 23.03 C ATOM 1012 C LYS A 144 84.757 43.488 36.777 1.00 25.87 C ATOM 1013 O LYS A 144 85.454 42.679 36.173 1.00 29.64 O ATOM 1014 CB LYS A 144 85.872 44.468 38.833 1.00 25.80 C ATOM 1015 CG LYS A 144 86.974 45.464 39.299 1.00 32.47 C ATOM 1016 CD LYS A 144 87.282 45.411 40.821 1.00 35.63 C ATOM 1017 CE LYS A 144 88.438 46.365 41.207 1.00 42.84 C ATOM 1018 NZ LYS A 144 88.761 46.411 42.676 1.00 44.68 N ATOM 0 H LYS A 144 84.195 46.109 38.031 1.00 24.76 H new ATOM 0 HA LYS A 144 86.222 44.872 36.862 1.00 23.03 H new ATOM 0 HB2 LYS A 144 85.105 44.542 39.422 1.00 25.80 H new ATOM 0 HB3 LYS A 144 86.206 43.561 38.914 1.00 25.80 H new ATOM 0 HG2 LYS A 144 87.790 45.280 38.808 1.00 32.47 H new ATOM 0 HG3 LYS A 144 86.700 46.365 39.066 1.00 32.47 H new ATOM 0 HD2 LYS A 144 86.485 45.649 41.321 1.00 35.63 H new ATOM 0 HD3 LYS A 144 87.514 44.503 41.073 1.00 35.63 H new ATOM 0 HE2 LYS A 144 89.235 46.098 40.723 1.00 42.84 H new ATOM 0 HE3 LYS A 144 88.213 47.261 40.911 1.00 42.84 H new ATOM 0 HZ1 LYS A 144 89.281 47.113 42.844 1.00 44.68 H new ATOM 0 HZ2 LYS A 144 88.007 46.482 43.144 1.00 44.68 H new ATOM 0 HZ3 LYS A 144 89.186 45.665 42.910 1.00 44.68 H new ATOM 1019 N GLN A 145 83.417 43.377 36.871 1.00 24.46 N ATOM 1020 CA GLN A 145 82.657 42.251 36.274 1.00 17.79 C ATOM 1021 C GLN A 145 82.710 42.353 34.752 1.00 18.59 C ATOM 1022 O GLN A 145 82.584 41.350 34.056 1.00 20.57 O ATOM 1023 CB GLN A 145 81.171 42.239 36.698 1.00 17.03 C ATOM 1024 CG GLN A 145 80.866 41.826 38.146 1.00 21.48 C ATOM 1025 CD GLN A 145 79.398 42.050 38.587 1.00 21.81 C ATOM 1026 OE1 GLN A 145 78.588 42.653 37.875 1.00 25.91 O ATOM 1027 NE2 GLN A 145 79.071 41.575 39.772 1.00 21.85 N ATOM 0 H GLN A 145 82.924 43.950 37.281 1.00 24.46 H new ATOM 0 HA GLN A 145 83.071 41.434 36.594 1.00 17.79 H new ATOM 0 HB2 GLN A 145 80.809 43.127 36.555 1.00 17.03 H new ATOM 0 HB3 GLN A 145 80.693 41.638 36.105 1.00 17.03 H new ATOM 0 HG2 GLN A 145 81.084 40.887 38.254 1.00 21.48 H new ATOM 0 HG3 GLN A 145 81.449 42.323 38.741 1.00 21.48 H new ATOM 0 HE21 GLN A 145 79.657 41.159 40.245 1.00 21.85 H new ATOM 0 HE22 GLN A 145 78.272 41.681 40.072 1.00 21.85 H new ATOM 1028 N LYS A 146 82.836 43.577 34.235 1.00 16.10 N ATOM 1029 CA LYS A 146 82.910 43.816 32.792 1.00 15.57 C ATOM 1030 C LYS A 146 84.239 43.334 32.236 1.00 15.06 C ATOM 1031 O LYS A 146 84.296 42.722 31.183 1.00 17.99 O ATOM 1032 CB LYS A 146 82.748 45.297 32.477 1.00 15.75 C ATOM 1033 CG LYS A 146 82.707 45.589 30.991 1.00 15.83 C ATOM 1034 CD LYS A 146 82.827 47.066 30.746 1.00 19.15 C ATOM 1035 CE LYS A 146 82.686 47.380 29.277 1.00 23.51 C ATOM 1036 NZ LYS A 146 82.242 48.784 29.019 1.00 35.06 N ATOM 0 H LYS A 146 82.881 44.292 34.711 1.00 16.10 H new ATOM 0 HA LYS A 146 82.187 43.320 32.377 1.00 15.57 H new ATOM 0 HB2 LYS A 146 81.931 45.622 32.887 1.00 15.75 H new ATOM 0 HB3 LYS A 146 83.482 45.789 32.877 1.00 15.75 H new ATOM 0 HG2 LYS A 146 83.429 45.121 30.543 1.00 15.83 H new ATOM 0 HG3 LYS A 146 81.877 45.259 30.613 1.00 15.83 H new ATOM 0 HD2 LYS A 146 82.145 47.538 31.249 1.00 19.15 H new ATOM 0 HD3 LYS A 146 83.686 47.383 31.068 1.00 19.15 H new ATOM 0 HE2 LYS A 146 83.537 47.229 28.836 1.00 23.51 H new ATOM 0 HE3 LYS A 146 82.048 46.766 28.880 1.00 23.51 H new ATOM 0 HZ1 LYS A 146 82.175 48.918 28.142 1.00 35.06 H new ATOM 0 HZ2 LYS A 146 81.450 48.920 29.401 1.00 35.06 H new ATOM 0 HZ3 LYS A 146 82.837 49.351 29.360 1.00 35.06 H new ATOM 1037 N ALA A 147 85.315 43.632 32.940 1.00 17.75 N ATOM 1038 CA ALA A 147 86.625 43.190 32.517 1.00 19.26 C ATOM 1039 C ALA A 147 86.633 41.669 32.643 1.00 21.84 C ATOM 1040 O ALA A 147 87.333 40.995 31.899 1.00 26.74 O ATOM 1041 CB ALA A 147 87.688 43.798 33.397 1.00 21.53 C ATOM 0 H ALA A 147 85.307 44.090 33.668 1.00 17.75 H new ATOM 0 HA ALA A 147 86.811 43.464 31.605 1.00 19.26 H new ATOM 0 HB1 ALA A 147 88.562 43.495 33.105 1.00 21.53 H new ATOM 0 HB2 ALA A 147 87.644 44.765 33.336 1.00 21.53 H new ATOM 0 HB3 ALA A 147 87.542 43.525 34.316 1.00 21.53 H new ATOM 1042 N PHE A 148 85.822 41.144 33.567 1.00 19.35 N ATOM 1043 CA PHE A 148 85.689 39.700 33.809 1.00 16.20 C ATOM 1044 C PHE A 148 85.017 38.954 32.642 1.00 12.40 C ATOM 1045 O PHE A 148 85.612 38.072 32.048 1.00 16.39 O ATOM 1046 CB PHE A 148 84.917 39.440 35.126 1.00 17.02 C ATOM 1047 CG PHE A 148 84.979 37.991 35.597 1.00 17.69 C ATOM 1048 CD1 PHE A 148 84.035 37.060 35.179 1.00 17.84 C ATOM 1049 CD2 PHE A 148 85.982 37.568 36.455 1.00 15.08 C ATOM 1050 CE1 PHE A 148 84.112 35.732 35.597 1.00 20.20 C ATOM 1051 CE2 PHE A 148 86.065 36.247 36.876 1.00 13.64 C ATOM 1052 CZ PHE A 148 85.132 35.332 36.457 1.00 15.99 C ATOM 0 H PHE A 148 85.325 41.624 34.079 1.00 19.35 H new ATOM 0 HA PHE A 148 86.590 39.348 33.886 1.00 16.20 H new ATOM 0 HB2 PHE A 148 85.277 40.013 35.821 1.00 17.02 H new ATOM 0 HB3 PHE A 148 83.989 39.692 35.003 1.00 17.02 H new ATOM 0 HD1 PHE A 148 83.345 37.326 34.615 1.00 17.84 H new ATOM 0 HD2 PHE A 148 86.613 38.182 36.755 1.00 15.08 H new ATOM 0 HE1 PHE A 148 83.483 35.114 35.302 1.00 20.20 H new ATOM 0 HE2 PHE A 148 86.754 35.982 37.442 1.00 13.64 H new ATOM 0 HZ PHE A 148 85.181 34.449 36.746 1.00 15.99 H new ATOM 1053 N GLU A 149 83.776 39.297 32.342 1.00 12.66 N ATOM 1054 CA GLU A 149 83.019 38.692 31.250 1.00 12.76 C ATOM 1055 C GLU A 149 83.803 38.773 29.939 1.00 14.75 C ATOM 1056 O GLU A 149 83.632 37.916 29.065 1.00 20.27 O ATOM 1057 CB GLU A 149 81.707 39.454 31.041 1.00 17.44 C ATOM 1058 CG GLU A 149 80.912 39.761 32.296 1.00 23.76 C ATOM 1059 CD GLU A 149 80.066 38.616 32.766 1.00 28.77 C ATOM 1060 OE1 GLU A 149 80.244 37.482 32.264 1.00 33.97 O ATOM 1061 OE2 GLU A 149 79.210 38.859 33.648 1.00 33.57 O ATOM 0 H GLU A 149 83.338 39.899 32.773 1.00 12.66 H new ATOM 0 HA GLU A 149 82.852 37.766 31.486 1.00 12.76 H new ATOM 0 HB2 GLU A 149 81.907 40.291 30.593 1.00 17.44 H new ATOM 0 HB3 GLU A 149 81.146 38.938 30.441 1.00 17.44 H new ATOM 0 HG2 GLU A 149 81.525 40.013 33.005 1.00 23.76 H new ATOM 0 HG3 GLU A 149 80.342 40.528 32.129 1.00 23.76 H new ATOM 1062 N ARG A 150 84.593 39.839 29.772 1.00 10.56 N ATOM 1063 CA ARG A 150 85.400 40.028 28.567 1.00 6.29 C ATOM 1064 C ARG A 150 86.571 39.050 28.509 1.00 8.56 C ATOM 1065 O ARG A 150 86.871 38.474 27.470 1.00 12.76 O ATOM 1066 CB ARG A 150 85.909 41.473 28.480 1.00 6.62 C ATOM 1067 CG ARG A 150 84.873 42.467 27.914 1.00 9.33 C ATOM 1068 CD ARG A 150 85.326 43.932 27.958 1.00 13.66 C ATOM 1069 NE ARG A 150 86.489 44.219 27.126 1.00 19.58 N ATOM 1070 CZ ARG A 150 86.440 44.773 25.917 1.00 24.20 C ATOM 1071 NH1 ARG A 150 85.280 45.103 25.376 1.00 29.76 N ATOM 1072 NH2 ARG A 150 87.564 45.032 25.263 1.00 26.41 N ATOM 0 H ARG A 150 84.674 40.468 30.352 1.00 10.56 H new ATOM 0 HA ARG A 150 84.828 39.848 27.804 1.00 6.29 H new ATOM 0 HB2 ARG A 150 86.176 41.767 29.365 1.00 6.62 H new ATOM 0 HB3 ARG A 150 86.703 41.494 27.923 1.00 6.62 H new ATOM 0 HG2 ARG A 150 84.676 42.226 26.995 1.00 9.33 H new ATOM 0 HG3 ARG A 150 84.047 42.378 28.414 1.00 9.33 H new ATOM 0 HD2 ARG A 150 84.590 44.497 27.675 1.00 13.66 H new ATOM 0 HD3 ARG A 150 85.530 44.170 28.876 1.00 13.66 H new ATOM 0 HE ARG A 150 87.263 44.015 27.440 1.00 19.58 H new ATOM 0 HH11 ARG A 150 84.549 44.960 25.806 1.00 29.76 H new ATOM 0 HH12 ARG A 150 85.256 45.461 24.594 1.00 29.76 H new ATOM 0 HH21 ARG A 150 88.323 44.842 25.620 1.00 26.41 H new ATOM 0 HH22 ARG A 150 87.534 45.390 24.482 1.00 26.41 H new ATOM 1073 N ALA A 151 87.209 38.826 29.644 1.00 8.25 N ATOM 1074 CA ALA A 151 88.330 37.907 29.728 1.00 9.40 C ATOM 1075 C ALA A 151 87.879 36.484 29.417 1.00 10.74 C ATOM 1076 O ALA A 151 88.478 35.792 28.592 1.00 16.41 O ATOM 1077 CB ALA A 151 88.943 37.981 31.115 1.00 7.87 C ATOM 0 H ALA A 151 87.005 39.203 30.390 1.00 8.25 H new ATOM 0 HA ALA A 151 88.998 38.160 29.072 1.00 9.40 H new ATOM 0 HB1 ALA A 151 89.692 37.367 31.171 1.00 7.87 H new ATOM 0 HB2 ALA A 151 89.253 38.884 31.284 1.00 7.87 H new ATOM 0 HB3 ALA A 151 88.277 37.739 31.777 1.00 7.87 H new ATOM 1078 N ILE A 152 86.815 36.056 30.081 1.00 8.51 N ATOM 1079 CA ILE A 152 86.253 34.738 29.870 1.00 8.56 C ATOM 1080 C ILE A 152 86.000 34.508 28.383 1.00 9.31 C ATOM 1081 O ILE A 152 86.448 33.515 27.814 1.00 14.90 O ATOM 1082 CB ILE A 152 84.933 34.603 30.623 1.00 9.19 C ATOM 1083 CG1 ILE A 152 85.175 34.703 32.118 1.00 10.72 C ATOM 1084 CG2 ILE A 152 84.295 33.284 30.323 1.00 13.23 C ATOM 1085 CD1 ILE A 152 85.933 33.523 32.679 1.00 13.59 C ATOM 0 H ILE A 152 86.399 36.526 30.669 1.00 8.51 H new ATOM 0 HA ILE A 152 86.884 34.079 30.199 1.00 8.56 H new ATOM 0 HB ILE A 152 84.344 35.319 30.337 1.00 9.19 H new ATOM 0 HG12 ILE A 152 85.669 35.516 32.306 1.00 10.72 H new ATOM 0 HG13 ILE A 152 84.322 34.778 32.573 1.00 10.72 H new ATOM 0 HG21 ILE A 152 83.458 33.212 30.808 1.00 13.23 H new ATOM 0 HG22 ILE A 152 84.124 33.216 29.371 1.00 13.23 H new ATOM 0 HG23 ILE A 152 84.889 32.567 30.596 1.00 13.23 H new ATOM 0 HD11 ILE A 152 86.057 33.642 33.634 1.00 13.59 H new ATOM 0 HD12 ILE A 152 85.430 32.709 32.518 1.00 13.59 H new ATOM 0 HD13 ILE A 152 86.799 33.459 32.246 1.00 13.59 H new ATOM 1086 N ALA A 153 85.305 35.443 27.752 1.00 7.43 N ATOM 1087 CA ALA A 153 84.988 35.344 26.329 1.00 9.65 C ATOM 1088 C ALA A 153 86.268 35.183 25.520 1.00 8.93 C ATOM 1089 O ALA A 153 86.301 34.466 24.521 1.00 15.19 O ATOM 1090 CB ALA A 153 84.223 36.578 25.882 1.00 6.18 C ATOM 0 H ALA A 153 85.003 36.153 28.133 1.00 7.43 H new ATOM 0 HA ALA A 153 84.430 34.564 26.180 1.00 9.65 H new ATOM 0 HB1 ALA A 153 84.016 36.506 24.937 1.00 6.18 H new ATOM 0 HB2 ALA A 153 83.399 36.649 26.389 1.00 6.18 H new ATOM 0 HB3 ALA A 153 84.765 37.368 26.034 1.00 6.18 H new ATOM 1091 N GLY A 154 87.315 35.868 25.946 1.00 10.99 N ATOM 1092 CA GLY A 154 88.598 35.759 25.275 1.00 13.61 C ATOM 1093 C GLY A 154 89.228 34.399 25.560 1.00 15.74 C ATOM 1094 O GLY A 154 89.979 33.872 24.735 1.00 13.51 O ATOM 0 H GLY A 154 87.305 36.401 26.621 1.00 10.99 H new ATOM 0 HA2 GLY A 154 88.481 35.875 24.319 1.00 13.61 H new ATOM 0 HA3 GLY A 154 89.189 36.466 25.576 1.00 13.61 H new ATOM 1095 N ASP A 155 88.917 33.834 26.725 1.00 14.19 N ATOM 1096 CA ASP A 155 89.424 32.535 27.129 1.00 9.94 C ATOM 1097 C ASP A 155 88.718 31.464 26.328 1.00 15.60 C ATOM 1098 O ASP A 155 89.336 30.515 25.840 1.00 14.67 O ATOM 1099 CB ASP A 155 89.102 32.288 28.586 1.00 14.74 C ATOM 1100 CG ASP A 155 90.040 32.999 29.544 1.00 20.06 C ATOM 1101 OD1 ASP A 155 91.002 33.687 29.119 1.00 24.35 O ATOM 1102 OD2 ASP A 155 89.813 32.842 30.761 1.00 22.94 O ATOM 0 H ASP A 155 88.400 34.202 27.306 1.00 14.19 H new ATOM 0 HA ASP A 155 90.383 32.513 26.984 1.00 9.94 H new ATOM 0 HB2 ASP A 155 88.193 32.576 28.762 1.00 14.74 H new ATOM 0 HB3 ASP A 155 89.136 31.334 28.760 1.00 14.74 H new ATOM 1103 N GLU A 156 87.408 31.644 26.184 1.00 18.04 N ATOM 1104 CA GLU A 156 86.555 30.711 25.472 1.00 17.62 C ATOM 1105 C GLU A 156 86.919 30.666 24.013 1.00 14.66 C ATOM 1106 O GLU A 156 86.937 29.619 23.387 1.00 16.97 O ATOM 1107 CB GLU A 156 85.093 31.104 25.645 1.00 27.74 C ATOM 1108 CG GLU A 156 84.134 29.987 25.281 1.00 40.71 C ATOM 1109 CD GLU A 156 84.441 28.710 26.061 1.00 48.01 C ATOM 1110 OE1 GLU A 156 84.195 28.708 27.297 1.00 51.20 O ATOM 1111 OE2 GLU A 156 84.959 27.737 25.444 1.00 48.99 O ATOM 0 H GLU A 156 86.988 32.323 26.503 1.00 18.04 H new ATOM 0 HA GLU A 156 86.687 29.825 25.844 1.00 17.62 H new ATOM 0 HB2 GLU A 156 84.941 31.367 26.566 1.00 27.74 H new ATOM 0 HB3 GLU A 156 84.904 31.879 25.093 1.00 27.74 H new ATOM 0 HG2 GLU A 156 83.224 30.268 25.463 1.00 40.71 H new ATOM 0 HG3 GLU A 156 84.190 29.808 24.329 1.00 40.71 H new ATOM 1112 N HIS A 157 87.207 31.822 23.464 1.00 11.18 N ATOM 1113 CA HIS A 157 87.603 31.897 22.079 1.00 12.61 C ATOM 1114 C HIS A 157 88.981 31.254 21.846 1.00 15.28 C ATOM 1115 O HIS A 157 89.212 30.664 20.802 1.00 21.61 O ATOM 1116 CB HIS A 157 87.634 33.363 21.637 1.00 9.27 C ATOM 1117 CG HIS A 157 88.193 33.568 20.268 1.00 6.94 C ATOM 1118 ND1 HIS A 157 89.325 34.321 20.036 1.00 5.37 N ATOM 1119 CD2 HIS A 157 87.747 33.166 19.060 1.00 7.40 C ATOM 1120 CE1 HIS A 157 89.539 34.386 18.731 1.00 7.42 C ATOM 1121 NE2 HIS A 157 88.597 33.688 18.122 1.00 8.65 N ATOM 0 H HIS A 157 87.180 32.577 23.875 1.00 11.18 H new ATOM 0 HA HIS A 157 86.954 31.404 21.553 1.00 12.61 H new ATOM 0 HB2 HIS A 157 86.732 33.720 21.666 1.00 9.27 H new ATOM 0 HB3 HIS A 157 88.161 33.872 22.272 1.00 9.27 H new ATOM 0 HD2 HIS A 157 87.002 32.634 18.895 1.00 7.40 H new ATOM 0 HE1 HIS A 157 90.233 34.844 18.315 1.00 7.42 H new ATOM 0 HE2 HIS A 157 88.529 33.579 17.272 1.00 8.65 H new ATOM 1122 N LYS A 158 89.908 31.410 22.788 1.00 15.66 N ATOM 1123 CA LYS A 158 91.240 30.848 22.619 1.00 14.49 C ATOM 1124 C LYS A 158 91.169 29.342 22.582 1.00 15.30 C ATOM 1125 O LYS A 158 91.831 28.705 21.771 1.00 15.51 O ATOM 1126 CB LYS A 158 92.178 31.265 23.747 1.00 18.59 C ATOM 1127 CG LYS A 158 93.459 30.449 23.730 1.00 26.22 C ATOM 1128 CD LYS A 158 94.127 30.351 25.084 1.00 30.95 C ATOM 1129 CE LYS A 158 95.222 29.282 25.062 1.00 34.61 C ATOM 1130 NZ LYS A 158 96.266 29.533 26.109 1.00 39.79 N ATOM 0 H LYS A 158 89.785 31.835 23.526 1.00 15.66 H new ATOM 0 HA LYS A 158 91.590 31.190 21.781 1.00 14.49 H new ATOM 0 HB2 LYS A 158 92.391 32.207 23.661 1.00 18.59 H new ATOM 0 HB3 LYS A 158 91.731 31.152 24.600 1.00 18.59 H new ATOM 0 HG2 LYS A 158 93.261 29.555 23.409 1.00 26.22 H new ATOM 0 HG3 LYS A 158 94.079 30.846 23.099 1.00 26.22 H new ATOM 0 HD2 LYS A 158 94.509 31.209 25.326 1.00 30.95 H new ATOM 0 HD3 LYS A 158 93.468 30.133 25.761 1.00 30.95 H new ATOM 0 HE2 LYS A 158 94.824 28.409 25.204 1.00 34.61 H new ATOM 0 HE3 LYS A 158 95.639 29.264 24.187 1.00 34.61 H new ATOM 0 HZ1 LYS A 158 96.862 28.872 26.098 1.00 39.79 H new ATOM 0 HZ2 LYS A 158 96.676 30.305 25.941 1.00 39.79 H new ATOM 0 HZ3 LYS A 158 95.880 29.571 26.910 1.00 39.79 H new ATOM 1131 N ARG A 159 90.369 28.776 23.475 1.00 15.28 N ATOM 1132 CA ARG A 159 90.229 27.337 23.538 1.00 21.47 C ATOM 1133 C ARG A 159 89.760 26.818 22.199 1.00 21.49 C ATOM 1134 O ARG A 159 90.248 25.803 21.707 1.00 26.73 O ATOM 1135 CB ARG A 159 89.257 26.916 24.649 1.00 24.94 C ATOM 1136 CG ARG A 159 89.761 27.165 26.061 1.00 29.99 C ATOM 1137 CD ARG A 159 88.719 26.736 27.100 1.00 39.14 C ATOM 1138 NE ARG A 159 88.546 27.741 28.155 1.00 45.56 N ATOM 1139 CZ ARG A 159 87.375 28.069 28.695 1.00 47.06 C ATOM 1140 NH1 ARG A 159 86.264 27.464 28.293 1.00 48.68 N ATOM 1141 NH2 ARG A 159 87.309 29.039 29.599 1.00 46.56 N ATOM 0 H ARG A 159 89.901 29.210 24.051 1.00 15.28 H new ATOM 0 HA ARG A 159 91.094 26.952 23.749 1.00 21.47 H new ATOM 0 HB2 ARG A 159 88.421 27.393 24.528 1.00 24.94 H new ATOM 0 HB3 ARG A 159 89.062 25.971 24.550 1.00 24.94 H new ATOM 0 HG2 ARG A 159 90.586 26.676 26.204 1.00 29.99 H new ATOM 0 HG3 ARG A 159 89.966 28.106 26.173 1.00 29.99 H new ATOM 0 HD2 ARG A 159 87.869 26.582 26.659 1.00 39.14 H new ATOM 0 HD3 ARG A 159 88.989 25.894 27.498 1.00 39.14 H new ATOM 0 HE ARG A 159 89.248 28.145 28.444 1.00 45.56 H new ATOM 0 HH11 ARG A 159 86.300 26.859 27.683 1.00 48.68 H new ATOM 0 HH12 ARG A 159 85.508 27.677 28.643 1.00 48.68 H new ATOM 0 HH21 ARG A 159 88.023 29.456 29.836 1.00 46.56 H new ATOM 0 HH22 ARG A 159 86.552 29.251 29.948 1.00 46.56 H new ATOM 1142 N SER A 160 88.832 27.529 21.589 1.00 23.37 N ATOM 1143 CA SER A 160 88.333 27.108 20.300 1.00 26.03 C ATOM 1144 C SER A 160 89.383 27.245 19.184 1.00 25.17 C ATOM 1145 O SER A 160 89.421 26.393 18.306 1.00 29.81 O ATOM 1146 CB SER A 160 87.042 27.853 19.960 1.00 30.86 C ATOM 1147 OG SER A 160 86.076 27.659 20.990 1.00 35.79 O ATOM 0 H SER A 160 88.482 28.250 21.900 1.00 23.37 H new ATOM 0 HA SER A 160 88.133 26.161 20.361 1.00 26.03 H new ATOM 0 HB2 SER A 160 87.225 28.800 19.853 1.00 30.86 H new ATOM 0 HB3 SER A 160 86.691 27.535 19.114 1.00 30.86 H new ATOM 0 HG SER A 160 86.268 28.143 21.649 1.00 35.79 H new ATOM 1148 N VAL A 161 90.236 28.285 19.206 1.00 21.17 N ATOM 1149 CA VAL A 161 91.269 28.445 18.159 1.00 14.55 C ATOM 1150 C VAL A 161 92.283 27.328 18.304 1.00 16.24 C ATOM 1151 O VAL A 161 92.575 26.605 17.362 1.00 22.07 O ATOM 1152 CB VAL A 161 92.031 29.794 18.238 1.00 10.74 C ATOM 1153 CG1 VAL A 161 93.174 29.824 17.250 1.00 5.84 C ATOM 1154 CG2 VAL A 161 91.104 30.934 17.919 1.00 12.25 C ATOM 0 H VAL A 161 90.235 28.900 19.807 1.00 21.17 H new ATOM 0 HA VAL A 161 90.808 28.421 17.306 1.00 14.55 H new ATOM 0 HB VAL A 161 92.377 29.884 19.140 1.00 10.74 H new ATOM 0 HG11 VAL A 161 93.636 30.674 17.315 1.00 5.84 H new ATOM 0 HG12 VAL A 161 93.793 29.104 17.449 1.00 5.84 H new ATOM 0 HG13 VAL A 161 92.828 29.713 16.351 1.00 5.84 H new ATOM 0 HG21 VAL A 161 91.591 31.771 17.971 1.00 12.25 H new ATOM 0 HG22 VAL A 161 90.749 30.822 17.023 1.00 12.25 H new ATOM 0 HG23 VAL A 161 90.373 30.945 18.556 1.00 12.25 H new ATOM 1155 N VAL A 162 92.764 27.147 19.516 1.00 17.07 N ATOM 1156 CA VAL A 162 93.757 26.138 19.783 1.00 18.57 C ATOM 1157 C VAL A 162 93.257 24.763 19.365 1.00 23.02 C ATOM 1158 O VAL A 162 93.960 24.039 18.662 1.00 28.94 O ATOM 1159 CB VAL A 162 94.217 26.250 21.235 1.00 16.28 C ATOM 1160 CG1 VAL A 162 95.291 25.270 21.526 1.00 22.20 C ATOM 1161 CG2 VAL A 162 94.760 27.660 21.459 1.00 17.46 C ATOM 0 H VAL A 162 92.524 27.604 20.204 1.00 17.07 H new ATOM 0 HA VAL A 162 94.549 26.281 19.241 1.00 18.57 H new ATOM 0 HB VAL A 162 93.466 26.068 21.821 1.00 16.28 H new ATOM 0 HG11 VAL A 162 95.568 25.358 22.451 1.00 22.20 H new ATOM 0 HG12 VAL A 162 94.960 24.371 21.372 1.00 22.20 H new ATOM 0 HG13 VAL A 162 96.049 25.438 20.945 1.00 22.20 H new ATOM 0 HG21 VAL A 162 95.058 27.750 22.378 1.00 17.46 H new ATOM 0 HG22 VAL A 162 95.507 27.818 20.861 1.00 17.46 H new ATOM 0 HG23 VAL A 162 94.061 28.308 21.281 1.00 17.46 H new ATOM 1162 N ASP A 163 92.006 24.454 19.679 1.00 26.30 N ATOM 1163 CA ASP A 163 91.412 23.171 19.283 1.00 28.63 C ATOM 1164 C ASP A 163 91.340 23.016 17.755 1.00 27.17 C ATOM 1165 O ASP A 163 91.368 21.909 17.243 1.00 32.20 O ATOM 1166 CB ASP A 163 89.976 23.044 19.811 1.00 29.49 C ATOM 1167 CG ASP A 163 89.907 22.574 21.226 1.00 33.49 C ATOM 1168 OD1 ASP A 163 90.944 22.541 21.927 1.00 37.72 O ATOM 1169 OD2 ASP A 163 88.786 22.231 21.640 1.00 35.34 O ATOM 0 H ASP A 163 91.479 24.970 20.121 1.00 26.30 H new ATOM 0 HA ASP A 163 91.985 22.486 19.660 1.00 28.63 H new ATOM 0 HB2 ASP A 163 89.535 23.905 19.741 1.00 29.49 H new ATOM 0 HB3 ASP A 163 89.484 22.427 19.247 1.00 29.49 H new ATOM 1170 N SER A 164 91.208 24.120 17.037 1.00 25.89 N ATOM 1171 CA SER A 164 91.084 24.074 15.585 1.00 29.09 C ATOM 1172 C SER A 164 92.389 24.233 14.815 1.00 27.55 C ATOM 1173 O SER A 164 92.382 24.187 13.579 1.00 25.38 O ATOM 1174 CB SER A 164 90.096 25.159 15.114 1.00 34.88 C ATOM 1175 OG SER A 164 88.792 24.998 15.683 1.00 43.84 O ATOM 0 H SER A 164 91.188 24.912 17.372 1.00 25.89 H new ATOM 0 HA SER A 164 90.764 23.180 15.388 1.00 29.09 H new ATOM 0 HB2 SER A 164 90.443 26.033 15.351 1.00 34.88 H new ATOM 0 HB3 SER A 164 90.029 25.133 14.147 1.00 34.88 H new ATOM 0 HG SER A 164 88.780 25.328 16.455 1.00 43.84 H new ATOM 1176 N LEU A 165 93.496 24.432 15.529 1.00 25.76 N ATOM 1177 CA LEU A 165 94.798 24.624 14.885 1.00 23.99 C ATOM 1178 C LEU A 165 95.229 23.420 14.050 1.00 23.63 C ATOM 1179 O LEU A 165 95.352 22.304 14.558 1.00 27.25 O ATOM 1180 CB LEU A 165 95.881 24.960 15.923 1.00 24.69 C ATOM 1181 CG LEU A 165 95.928 26.315 16.650 1.00 23.61 C ATOM 1182 CD1 LEU A 165 96.999 26.244 17.713 1.00 22.09 C ATOM 1183 CD2 LEU A 165 96.215 27.467 15.703 1.00 19.40 C ATOM 0 H LEU A 165 93.516 24.460 16.388 1.00 25.76 H new ATOM 0 HA LEU A 165 94.693 25.373 14.278 1.00 23.99 H new ATOM 0 HB2 LEU A 165 95.830 24.277 16.610 1.00 24.69 H new ATOM 0 HB3 LEU A 165 96.736 24.852 15.478 1.00 24.69 H new ATOM 0 HG LEU A 165 95.058 26.485 17.044 1.00 23.61 H new ATOM 0 HD11 LEU A 165 97.045 27.091 18.184 1.00 22.09 H new ATOM 0 HD12 LEU A 165 96.785 25.536 18.341 1.00 22.09 H new ATOM 0 HD13 LEU A 165 97.856 26.059 17.298 1.00 22.09 H new ATOM 0 HD21 LEU A 165 96.236 28.299 16.202 1.00 19.40 H new ATOM 0 HD22 LEU A 165 97.073 27.327 15.273 1.00 19.40 H new ATOM 0 HD23 LEU A 165 95.520 27.512 15.028 1.00 19.40 H new ATOM 1184 N ASP A 166 95.499 23.659 12.773 1.00 25.57 N ATOM 1185 CA ASP A 166 95.909 22.592 11.875 1.00 25.01 C ATOM 1186 C ASP A 166 97.393 22.264 11.986 1.00 23.96 C ATOM 1187 O ASP A 166 98.221 22.685 11.176 1.00 20.66 O ATOM 1188 CB ASP A 166 95.533 22.928 10.433 1.00 27.53 C ATOM 1189 CG ASP A 166 95.694 21.739 9.493 1.00 30.55 C ATOM 1190 OD1 ASP A 166 95.429 20.578 9.896 1.00 29.79 O ATOM 1191 OD2 ASP A 166 96.085 21.984 8.336 1.00 33.79 O ATOM 0 H ASP A 166 95.450 24.436 12.407 1.00 25.57 H new ATOM 0 HA ASP A 166 95.428 21.795 12.148 1.00 25.01 H new ATOM 0 HB2 ASP A 166 94.613 23.236 10.405 1.00 27.53 H new ATOM 0 HB3 ASP A 166 96.087 23.661 10.120 1.00 27.53 H new ATOM 1192 N ILE A 167 97.712 21.519 13.029 1.00 24.08 N ATOM 1193 CA ILE A 167 99.068 21.082 13.274 1.00 24.06 C ATOM 1194 C ILE A 167 99.356 19.893 12.364 1.00 22.80 C ATOM 1195 O ILE A 167 100.378 19.862 11.701 1.00 24.01 O ATOM 1196 CB ILE A 167 99.257 20.797 14.769 1.00 21.09 C ATOM 1197 CG1 ILE A 167 99.250 22.145 15.511 1.00 18.60 C ATOM 1198 CG2 ILE A 167 100.524 20.014 15.001 1.00 15.96 C ATOM 1199 CD1 ILE A 167 98.894 22.070 16.966 1.00 24.66 C ATOM 0 H ILE A 167 97.144 21.252 13.617 1.00 24.08 H new ATOM 0 HA ILE A 167 99.717 21.770 13.058 1.00 24.06 H new ATOM 0 HB ILE A 167 98.535 20.248 15.112 1.00 21.09 H new ATOM 0 HG12 ILE A 167 100.128 22.548 15.428 1.00 18.60 H new ATOM 0 HG13 ILE A 167 98.622 22.738 15.069 1.00 18.60 H new ATOM 0 HG21 ILE A 167 100.629 19.842 15.950 1.00 15.96 H new ATOM 0 HG22 ILE A 167 100.476 19.171 14.523 1.00 15.96 H new ATOM 0 HG23 ILE A 167 101.284 20.524 14.679 1.00 15.96 H new ATOM 0 HD11 ILE A 167 98.914 22.960 17.351 1.00 24.66 H new ATOM 0 HD12 ILE A 167 98.004 21.697 17.063 1.00 24.66 H new ATOM 0 HD13 ILE A 167 99.533 21.504 17.427 1.00 24.66 H new ATOM 1200 N GLU A 168 98.358 19.036 12.182 1.00 26.81 N ATOM 1201 CA GLU A 168 98.472 17.856 11.318 1.00 27.20 C ATOM 1202 C GLU A 168 98.983 18.089 9.887 1.00 24.47 C ATOM 1203 O GLU A 168 99.645 17.237 9.327 1.00 29.55 O ATOM 1204 CB GLU A 168 97.135 17.106 11.284 1.00 31.64 C ATOM 1205 CG GLU A 168 97.261 15.645 10.864 1.00 40.20 C ATOM 1206 CD GLU A 168 98.387 14.904 11.607 1.00 43.15 C ATOM 1207 OE1 GLU A 168 98.217 14.647 12.824 1.00 43.20 O ATOM 1208 OE2 GLU A 168 99.441 14.598 10.978 1.00 43.25 O ATOM 0 H GLU A 168 97.589 19.120 12.557 1.00 26.81 H new ATOM 0 HA GLU A 168 99.172 17.327 11.731 1.00 27.20 H new ATOM 0 HB2 GLU A 168 96.728 17.147 12.163 1.00 31.64 H new ATOM 0 HB3 GLU A 168 96.535 17.559 10.672 1.00 31.64 H new ATOM 0 HG2 GLU A 168 96.419 15.192 11.028 1.00 40.20 H new ATOM 0 HG3 GLU A 168 97.426 15.601 9.909 1.00 40.20 H new ATOM 1209 N SER A 169 98.670 19.227 9.290 1.00 25.28 N ATOM 1210 CA SER A 169 99.126 19.504 7.935 1.00 27.65 C ATOM 1211 C SER A 169 100.493 20.130 7.919 1.00 29.59 C ATOM 1212 O SER A 169 101.006 20.470 6.851 1.00 30.80 O ATOM 1213 CB SER A 169 98.168 20.432 7.183 1.00 30.63 C ATOM 1214 OG SER A 169 96.924 19.802 6.905 1.00 37.53 O ATOM 0 H SER A 169 98.197 19.850 9.647 1.00 25.28 H new ATOM 0 HA SER A 169 99.157 18.642 7.491 1.00 27.65 H new ATOM 0 HB2 SER A 169 98.014 21.232 7.710 1.00 30.63 H new ATOM 0 HB3 SER A 169 98.579 20.715 6.351 1.00 30.63 H new ATOM 0 HG SER A 169 96.300 20.252 7.243 1.00 37.53 H new ATOM 1215 N MET A 170 101.047 20.390 9.096 1.00 25.92 N ATOM 1216 CA MET A 170 102.378 20.971 9.142 1.00 24.87 C ATOM 1217 C MET A 170 103.350 19.868 8.744 1.00 23.82 C ATOM 1218 O MET A 170 103.049 18.686 8.930 1.00 28.29 O ATOM 1219 CB MET A 170 102.676 21.513 10.535 1.00 21.46 C ATOM 1220 CG MET A 170 101.795 22.687 10.867 1.00 20.62 C ATOM 1221 SD MET A 170 102.059 23.501 12.444 1.00 17.12 S ATOM 1222 CE MET A 170 100.807 24.800 12.268 1.00 12.99 C ATOM 0 H MET A 170 100.680 20.242 9.860 1.00 25.92 H new ATOM 0 HA MET A 170 102.459 21.723 8.534 1.00 24.87 H new ATOM 0 HB2 MET A 170 102.544 20.812 11.192 1.00 21.46 H new ATOM 0 HB3 MET A 170 103.607 21.780 10.588 1.00 21.46 H new ATOM 0 HG2 MET A 170 101.902 23.349 10.167 1.00 20.62 H new ATOM 0 HG3 MET A 170 100.873 22.388 10.835 1.00 20.62 H new ATOM 0 HE1 MET A 170 100.807 25.359 13.060 1.00 12.99 H new ATOM 0 HE2 MET A 170 101.010 25.342 11.490 1.00 12.99 H new ATOM 0 HE3 MET A 170 99.933 24.394 12.160 1.00 12.99 H new ATOM 1223 N THR A 171 104.496 20.245 8.183 1.00 24.39 N ATOM 1224 CA THR A 171 105.492 19.266 7.744 1.00 22.12 C ATOM 1225 C THR A 171 106.909 19.439 8.243 1.00 23.58 C ATOM 1226 O THR A 171 107.470 20.539 8.314 1.00 19.91 O ATOM 1227 CB THR A 171 105.581 19.161 6.222 1.00 18.08 C ATOM 1228 OG1 THR A 171 105.670 20.473 5.665 1.00 20.26 O ATOM 1229 CG2 THR A 171 104.373 18.427 5.664 1.00 14.81 C ATOM 0 H THR A 171 104.718 21.065 8.047 1.00 24.39 H new ATOM 0 HA THR A 171 105.138 18.462 8.156 1.00 22.12 H new ATOM 0 HB THR A 171 106.374 18.656 5.983 1.00 18.08 H new ATOM 0 HG1 THR A 171 106.194 20.939 6.127 1.00 20.26 H new ATOM 0 HG21 THR A 171 104.446 18.370 4.698 1.00 14.81 H new ATOM 0 HG22 THR A 171 104.336 17.533 6.038 1.00 14.81 H new ATOM 0 HG23 THR A 171 103.565 18.909 5.898 1.00 14.81 H new ATOM 1230 N ILE A 172 107.492 18.290 8.542 1.00 27.30 N ATOM 1231 CA ILE A 172 108.850 18.193 9.018 1.00 26.13 C ATOM 1232 C ILE A 172 109.676 18.526 7.788 1.00 27.95 C ATOM 1233 O ILE A 172 109.197 18.410 6.647 1.00 24.49 O ATOM 1234 CB ILE A 172 109.082 16.759 9.571 1.00 26.61 C ATOM 1235 CG1 ILE A 172 109.884 16.836 10.855 1.00 28.91 C ATOM 1236 CG2 ILE A 172 109.615 15.785 8.506 1.00 24.30 C ATOM 1237 CD1 ILE A 172 109.128 17.497 11.976 1.00 29.30 C ATOM 0 H ILE A 172 107.096 17.530 8.471 1.00 27.30 H new ATOM 0 HA ILE A 172 109.082 18.786 9.750 1.00 26.13 H new ATOM 0 HB ILE A 172 108.230 16.360 9.807 1.00 26.61 H new ATOM 0 HG12 ILE A 172 110.139 15.940 11.126 1.00 28.91 H new ATOM 0 HG13 ILE A 172 110.704 17.327 10.690 1.00 28.91 H new ATOM 0 HG21 ILE A 172 109.741 14.909 8.903 1.00 24.30 H new ATOM 0 HG22 ILE A 172 108.977 15.721 7.778 1.00 24.30 H new ATOM 0 HG23 ILE A 172 110.463 16.110 8.165 1.00 24.30 H new ATOM 0 HD11 ILE A 172 109.683 17.521 12.771 1.00 29.30 H new ATOM 0 HD12 ILE A 172 108.893 18.402 11.719 1.00 29.30 H new ATOM 0 HD13 ILE A 172 108.319 16.994 12.162 1.00 29.30 H new ATOM 1238 N GLU A 173 110.868 19.053 7.993 1.00 33.22 N ATOM 1239 CA GLU A 173 111.666 19.382 6.832 1.00 43.10 C ATOM 1240 C GLU A 173 112.108 18.103 6.131 1.00 49.64 C ATOM 1241 O GLU A 173 112.978 17.393 6.627 1.00 49.93 O ATOM 1242 CB GLU A 173 112.883 20.231 7.208 1.00 44.47 C ATOM 1243 CG GLU A 173 113.663 20.752 5.994 1.00 43.24 C ATOM 1244 CD GLU A 173 112.846 21.698 5.120 1.00 44.37 C ATOM 1245 OE1 GLU A 173 112.889 22.918 5.394 1.00 44.84 O ATOM 1246 OE2 GLU A 173 112.163 21.221 4.172 1.00 45.28 O ATOM 0 H GLU A 173 111.221 19.222 8.759 1.00 33.22 H new ATOM 0 HA GLU A 173 111.118 19.908 6.228 1.00 43.10 H new ATOM 0 HB2 GLU A 173 112.590 20.985 7.743 1.00 44.47 H new ATOM 0 HB3 GLU A 173 113.478 19.703 7.764 1.00 44.47 H new ATOM 0 HG2 GLU A 173 114.460 21.211 6.301 1.00 43.24 H new ATOM 0 HG3 GLU A 173 113.958 19.999 5.458 1.00 43.24 H new ATOM 1247 N ASP A 174 111.456 17.760 5.024 1.00 57.94 N ATOM 1248 CA ASP A 174 111.849 16.563 4.282 1.00 65.18 C ATOM 1249 C ASP A 174 112.732 16.969 3.100 1.00 68.42 C ATOM 1250 O ASP A 174 112.311 16.950 1.936 1.00 71.26 O ATOM 1251 CB ASP A 174 110.629 15.721 3.853 1.00 66.02 C ATOM 1252 CG ASP A 174 110.502 14.409 4.656 1.00 67.69 C ATOM 1253 OD1 ASP A 174 111.548 13.765 4.910 1.00 67.18 O ATOM 1254 OD2 ASP A 174 109.363 14.021 5.030 1.00 66.80 O ATOM 0 H ASP A 174 110.795 18.197 4.689 1.00 57.94 H new ATOM 0 HA ASP A 174 112.367 15.985 4.865 1.00 65.18 H new ATOM 0 HB2 ASP A 174 109.821 16.246 3.968 1.00 66.02 H new ATOM 0 HB3 ASP A 174 110.700 15.513 2.908 1.00 66.02 H new ATOM 1255 N GLU A 175 113.945 17.394 3.454 1.00 68.99 N ATOM 1256 CA GLU A 175 115.005 17.839 2.542 1.00 69.17 C ATOM 1257 C GLU A 175 116.301 17.749 3.373 1.00 66.48 C ATOM 1258 O GLU A 175 116.233 17.854 4.604 1.00 67.34 O ATOM 1259 CB GLU A 175 114.745 19.285 2.086 1.00 71.31 C ATOM 1260 CG GLU A 175 113.844 19.390 0.846 1.00 76.40 C ATOM 1261 CD GLU A 175 112.962 20.627 0.852 1.00 78.96 C ATOM 1262 OE1 GLU A 175 113.494 21.747 0.657 1.00 80.64 O ATOM 1263 OE2 GLU A 175 111.734 20.472 1.053 1.00 77.99 O ATOM 0 H GLU A 175 114.187 17.433 4.278 1.00 68.99 H new ATOM 0 HA GLU A 175 115.053 17.300 1.737 1.00 69.17 H new ATOM 0 HB2 GLU A 175 114.336 19.777 2.815 1.00 71.31 H new ATOM 0 HB3 GLU A 175 115.594 19.713 1.896 1.00 71.31 H new ATOM 0 HG2 GLU A 175 114.398 19.399 0.050 1.00 76.40 H new ATOM 0 HG3 GLU A 175 113.283 18.600 0.793 1.00 76.40 H new ATOM 1264 N TYR A 176 117.449 17.489 2.734 1.00 62.01 N ATOM 1265 CA TYR A 176 118.746 17.371 3.451 1.00 58.12 C ATOM 1266 C TYR A 176 119.040 18.594 4.365 1.00 56.41 C ATOM 1267 O TYR A 176 118.618 19.725 4.063 1.00 56.05 O ATOM 1268 CB TYR A 176 119.909 17.102 2.445 1.00 52.67 C ATOM 1269 CG TYR A 176 121.358 17.072 2.997 1.00 45.70 C ATOM 1270 CD1 TYR A 176 121.844 15.996 3.749 1.00 43.16 C ATOM 1271 CD2 TYR A 176 122.250 18.101 2.701 1.00 42.15 C ATOM 1272 CE1 TYR A 176 123.180 15.954 4.185 1.00 40.81 C ATOM 1273 CE2 TYR A 176 123.576 18.069 3.128 1.00 40.03 C ATOM 1274 CZ TYR A 176 124.041 16.997 3.869 1.00 41.14 C ATOM 1275 OH TYR A 176 125.373 16.993 4.279 1.00 41.88 O ATOM 0 H TYR A 176 117.506 17.376 1.883 1.00 62.01 H new ATOM 0 HA TYR A 176 118.678 16.607 4.045 1.00 58.12 H new ATOM 0 HB2 TYR A 176 119.738 16.250 2.014 1.00 52.67 H new ATOM 0 HB3 TYR A 176 119.868 17.782 1.755 1.00 52.67 H new ATOM 0 HD1 TYR A 176 121.272 15.295 3.964 1.00 43.16 H new ATOM 0 HD2 TYR A 176 121.952 18.829 2.205 1.00 42.15 H new ATOM 0 HE1 TYR A 176 123.486 15.231 4.683 1.00 40.81 H new ATOM 0 HE2 TYR A 176 124.149 18.769 2.915 1.00 40.03 H new ATOM 0 HH TYR A 176 125.752 17.691 4.006 1.00 41.88 H new ATOM 1276 N SER A 177 119.705 18.340 5.499 1.00 53.45 N ATOM 1277 CA SER A 177 120.060 19.387 6.463 1.00 48.92 C ATOM 1278 C SER A 177 121.333 19.051 7.248 1.00 48.03 C ATOM 1279 O SER A 177 122.243 18.364 6.756 1.00 45.15 O ATOM 1280 CB SER A 177 118.904 19.629 7.439 1.00 47.34 C ATOM 1281 OG SER A 177 118.770 18.564 8.354 1.00 43.02 O ATOM 0 H SER A 177 119.963 17.553 5.730 1.00 53.45 H new ATOM 0 HA SER A 177 120.233 20.193 5.952 1.00 48.92 H new ATOM 0 HB2 SER A 177 119.055 20.456 7.923 1.00 47.34 H new ATOM 0 HB3 SER A 177 118.077 19.737 6.943 1.00 47.34 H new ATOM 0 HG SER A 177 118.132 18.722 8.877 1.00 43.02 H new TER 1282 SER A 177 HETATM 1283 S SO4 A 256 69.342 59.721 44.363 1.00 25.34 S HETATM 1284 O1 SO4 A 256 70.253 59.335 43.298 1.00 25.38 O HETATM 1285 O2 SO4 A 256 69.841 60.853 45.056 1.00 22.93 O HETATM 1286 O3 SO4 A 256 69.206 58.522 45.176 1.00 22.13 O HETATM 1287 O4 SO4 A 256 68.054 60.020 43.796 1.00 27.26 O HETATM 1288 S SO4 A 257 83.646 53.885 30.120 1.00 53.35 S HETATM 1289 O1 SO4 A 257 84.999 53.424 30.016 1.00 55.94 O HETATM 1290 O2 SO4 A 257 82.964 53.644 28.869 1.00 53.64 O HETATM 1291 O3 SO4 A 257 83.462 55.221 30.611 1.00 48.63 O HETATM 1292 O4 SO4 A 257 83.182 52.936 31.102 1.00 55.71 O HETATM 1293 O HOH A 258 55.644 58.836 30.757 1.00 35.35 O HETATM 1294 O HOH A 259 56.955 80.288 20.764 1.00 39.04 O HETATM 1295 O HOH A 260 56.373 66.234 28.285 1.00 21.98 O HETATM 1296 O HOH A 261 64.046 82.230 48.017 1.00 46.64 O HETATM 1297 O HOH A 262 64.006 71.909 55.804 1.00 39.63 O HETATM 1298 O HOH A 263 78.758 67.723 27.511 1.00 38.32 O HETATM 1299 O HOH A 264 73.008 68.130 48.035 1.00 49.49 O HETATM 1300 O HOH A 265 83.015 62.412 35.073 1.00 40.47 O HETATM 1301 O HOH A 266 88.230 62.757 37.090 1.00 50.56 O HETATM 1302 O HOH A 267 84.251 33.518 22.904 1.00 20.49 O HETATM 1303 O HOH A 268 105.047 25.298 11.676 1.00 17.82 O HETATM 1304 O HOH A 269 79.596 60.239 35.354 1.00 15.00 O HETATM 1305 O HOH A 270 79.102 60.890 29.475 1.00 29.45 O HETATM 1306 O HOH A 271 73.382 57.547 40.836 1.00 13.23 O HETATM 1307 O HOH A 272 74.229 69.815 28.972 1.00 15.15 O HETATM 1308 O HOH A 273 76.646 66.381 28.248 1.00 5.46 O HETATM 1309 O HOH A 274 74.341 67.821 26.903 1.00 13.07 O HETATM 1310 O HOH A 275 61.698 69.662 44.150 1.00 38.99 O HETATM 1311 O HOH A 276 82.546 69.353 39.166 1.00 28.82 O HETATM 1312 O HOH A 277 87.591 62.024 40.191 1.00 22.49 O HETATM 1313 O HOH A 278 83.437 64.248 39.254 1.00 13.18 O HETATM 1314 O HOH A 279 74.107 72.715 47.630 1.00 38.56 O HETATM 1315 O HOH A 280 79.278 57.771 45.729 1.00 15.65 O HETATM 1316 O HOH A 281 71.627 57.039 42.961 1.00 19.36 O HETATM 1317 O HOH A 282 90.438 48.650 42.957 1.00 21.24 O HETATM 1318 O HOH A 283 91.134 34.651 22.232 1.00 25.88 O HETATM 1319 O HOH A 284 62.750 84.781 33.528 1.00 30.86 O HETATM 1320 O HOH A 285 57.134 69.663 46.422 1.00 28.81 O HETATM 1321 O HOH A 286 55.663 80.297 32.318 1.00 21.50 O HETATM 1322 O HOH A 287 68.879 73.920 25.931 1.00 26.76 O HETATM 1323 O HOH A 288 74.189 59.606 49.657 1.00 23.66 O HETATM 1324 O HOH A 289 72.038 52.513 26.788 1.00 24.45 O HETATM 1325 O HOH A 290 95.818 19.044 14.004 1.00 31.65 O HETATM 1326 O HOH A 291 96.318 29.873 29.034 1.00 35.06 O HETATM 1327 O HOH A 292 106.342 21.733 2.946 1.00 39.98 O HETATM 1328 O HOH A 293 62.414 53.742 24.882 1.00 50.30 O HETATM 1329 O HOH A 294 80.226 62.624 31.836 1.00 37.38 O HETATM 1330 O HOH A 295 83.374 63.908 32.858 1.00 55.72 O HETATM 1331 O HOH A 296 82.446 45.789 25.492 1.00 22.81 O HETATM 1332 O HOH A 297 48.750 74.763 35.783 1.00 29.46 O HETATM 1333 O HOH A 298 56.672 79.196 29.773 1.00 34.99 O HETATM 1334 O HOH A 299 66.948 66.725 41.745 1.00 16.30 O HETATM 1335 O HOH A 300 74.628 69.732 40.600 1.00 25.74 O HETATM 1336 O HOH A 301 67.078 57.914 46.662 1.00 24.69 O HETATM 1337 O HOH A 302 84.174 50.409 31.881 1.00 35.05 O HETATM 1338 O HOH A 303 84.087 48.936 23.091 1.00 44.79 O HETATM 1339 O HOH A 304 87.265 64.151 41.899 1.00 52.79 O HETATM 1340 O HOH A 305 77.186 44.939 42.251 1.00 42.51 O HETATM 1341 O HOH A 306 90.714 48.223 30.447 1.00 23.72 O HETATM 1342 O HOH A 307 102.606 14.744 8.212 1.00 39.06 O HETATM 1343 O HOH A 308 101.899 25.229 4.749 1.00 49.90 O HETATM 1344 O HOH A 309 64.012 88.264 42.936 1.00 41.14 O HETATM 1345 O HOH A 310 62.892 79.555 41.880 1.00 33.34 O HETATM 1346 O HOH A 311 63.815 81.982 45.458 1.00 46.97 O HETATM 1347 O HOH A 312 50.041 68.365 39.523 1.00 44.61 O HETATM 1348 O HOH A 313 48.757 68.904 31.545 1.00 43.50 O HETATM 1349 O HOH A 314 51.128 75.915 32.424 1.00 30.87 O HETATM 1350 O HOH A 315 63.949 82.726 30.442 1.00 39.89 O HETATM 1351 O HOH A 316 57.528 58.408 41.975 1.00 44.54 O HETATM 1352 O HOH A 317 63.967 53.309 33.670 1.00 21.77 O HETATM 1353 O HOH A 318 78.429 76.582 42.780 1.00 46.10 O HETATM 1354 O HOH A 319 83.980 68.382 51.550 1.00 41.10 O HETATM 1355 O HOH A 320 81.695 52.280 27.303 1.00 30.82 O HETATM 1356 O HOH A 321 85.408 57.548 29.546 1.00 37.81 O HETATM 1357 O HOH A 322 89.852 57.601 39.845 1.00 43.20 O HETATM 1358 O HOH A 323 85.493 57.962 54.066 1.00 41.85 O HETATM 1359 O HOH A 324 73.220 66.608 50.549 1.00 41.50 O HETATM 1360 O HOH A 325 73.792 42.373 43.069 1.00 31.81 O HETATM 1361 O HOH A 326 86.832 46.040 30.532 1.00 24.70 O HETATM 1362 O HOH A 327 88.934 33.257 35.918 1.00 37.04 O HETATM 1363 O HOH A 328 88.467 30.631 31.563 1.00 22.43 O HETATM 1364 O HOH A 329 90.199 28.274 31.046 1.00 40.57 O HETATM 1365 O HOH A 330 80.966 22.593 25.033 1.00 44.19 O HETATM 1366 O HOH A 331 92.025 20.813 12.896 1.00 41.31 O HETATM 1367 O HOH A 332 92.994 28.224 12.349 1.00 33.03 O HETATM 1368 O HOH A 333 98.497 15.552 6.201 1.00 40.38 O HETATM 1369 O HOH A 334 96.852 12.060 10.169 1.00 55.89 O HETATM 1370 O HOH A 335 65.401 71.373 25.908 1.00 20.00 O CONECT 1283 1284 1285 1286 1287 CONECT 1284 1283 CONECT 1285 1283 CONECT 1286 1283 CONECT 1287 1283 CONECT 1288 1289 1290 1291 1292 CONECT 1289 1288 CONECT 1290 1288 CONECT 1291 1288 CONECT 1292 1288 END