USER MOD reduce.3.24.130724 H: found=0, std=0, add=1210, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER TRANSCRIPTION 14-SEP-07 2RA5 TITLE CRYSTAL STRUCTURE OF THE PUTATIVE TRANSCRIPTIONAL REGULATOR TITLE 2 FROM STREPTOMYCES COELICOLOR COMPND MOL_ID: 1; COMPND 2 MOLECULE: PUTATIVE TRANSCRIPTIONAL REGULATOR; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR A3(2); SOURCE 3 ORGANISM_TAXID: 100226; SOURCE 4 STRAIN: A3(2), M145; SOURCE 5 ATCC: BAA-471; SOURCE 6 GENE: SCO6256; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 0 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID KEYWDS BETA STRUCTURE, UTRA DOMAIN, STRUCTURAL GENOMICS, PSI-2, KEYWDS 2 PROTEIN STRUCTURE INITIATIVE, MIDWEST CENTER FOR STRUCTURAL KEYWDS 3 GENOMICS, MCSG, DNA-BINDING, TRANSCRIPTION, TRANSCRIPTION KEYWDS 4 REGULATION EXPDTA X-RAY DIFFRACTION AUTHOR Y.KIM,X.XU,H.ZHENG,A.SAVCHENKO,A.M.EDWARDS,A.JOACHIMIAK, AUTHOR 2 MIDWEST CENTER FOR STRUCTURAL GENOMICS (MCSG) REVDAT 5 17-MAR-09 2RA5 1 JRNL REVDAT 4 24-FEB-09 2RA5 1 VERSN REVDAT 3 10-JUN-08 2RA5 1 JRNL REVDAT 2 20-NOV-07 2RA5 1 JRNL REVDAT 1 25-SEP-07 2RA5 0 JRNL AUTH Y.KIM,X.XU,H.ZHENG,A.SAVCHENKO,A.M.EDWARDS, JRNL AUTH 2 A.JOACHIMIAK JRNL TITL CRYSTAL STRUCTURE OF THE PUTATIVE TRANSCRIPTIONAL JRNL TITL 2 REGULATOR FROM STREPTOMYCES COELICOLOR. JRNL REF TO BE PUBLISHED JRNL REFN REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 2.40 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.2.0019 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD WITH PHASES REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.40 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 42.68 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 96.3 REMARK 3 NUMBER OF REFLECTIONS : 6124 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.225 REMARK 3 R VALUE (WORKING SET) : 0.218 REMARK 3 FREE R VALUE : 0.292 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 9.900 REMARK 3 FREE R VALUE TEST SET COUNT : 675 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.40 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.47 REMARK 3 REFLECTION IN BIN (WORKING SET) : 337 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 72.42 REMARK 3 BIN R VALUE (WORKING SET) : 0.3220 REMARK 3 BIN FREE R VALUE SET COUNT : 28 REMARK 3 BIN FREE R VALUE : 0.4160 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1188 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 66 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 69.69 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 1.15000 REMARK 3 B22 (A**2) : 1.15000 REMARK 3 B33 (A**2) : -2.30000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.584 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.333 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): NULL REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): NULL REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.945 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.911 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1223 ; 0.010 ; 0.021 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1661 ; 1.804 ; 1.986 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 156 ; 6.616 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 56 ;30.176 ;21.250 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 198 ;21.298 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 18 ;18.799 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 190 ; 0.079 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 942 ; 0.006 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 499 ; 0.281 ; 0.200 REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 814 ; 0.316 ; 0.200 REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 59 ; 0.183 ; 0.200 REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 77 ; 0.446 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 16 ; 0.325 ; 0.200 REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 767 ; 8.426 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1231 ;10.397 ; 2.000 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 456 ;13.252 ; 3.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 430 ;17.536 ; 4.500 REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.20 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURE REPRESENTS PROTEOLYZED REMARK 3 FRAGMENTS. PHENIX PROGRAM HAS ALSO BEEN USED IN REFINEMENT. REMARK 4 REMARK 4 2RA5 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 18-SEP-07. REMARK 100 THE RCSB ID CODE IS RCSB044616. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 21-MAR-07 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 8.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : APS REMARK 200 BEAMLINE : 19-ID REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.97920 REMARK 200 MONOCHROMATOR : DOUBLE CRYSTAL REMARK 200 OPTICS : MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-3000 REMARK 200 DATA SCALING SOFTWARE : HKL-3000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 6859 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.400 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 96.3 REMARK 200 DATA REDUNDANCY : 20.800 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.11600 REMARK 200 FOR THE DATA SET : 8.3000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.40 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.49 REMARK 200 COMPLETENESS FOR SHELL (%) : 75.2 REMARK 200 DATA REDUNDANCY IN SHELL : 7.40 REMARK 200 R MERGE FOR SHELL (I) : 0.38400 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 2.200 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD REMARK 200 SOFTWARE USED: HKL-3000, SHELX, MLPHARE, RESOLVE REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 18.73 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.51 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1M TRIS-HCL PH 8.5, 0.2M MGCL2, REMARK 280 20% PEG 3350, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 295K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 43 21 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -Y+1/2,X+1/2,Z+3/4 REMARK 290 4555 Y+1/2,-X+1/2,Z+1/4 REMARK 290 5555 -X+1/2,Y+1/2,-Z+3/4 REMARK 290 6555 X+1/2,-Y+1/2,-Z+1/4 REMARK 290 7555 Y,X,-Z REMARK 290 8555 -Y,-X,-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 85.36750 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 21.88400 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 21.88400 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 128.05125 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 21.88400 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 21.88400 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 42.68375 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 21.88400 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 21.88400 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 128.05125 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 21.88400 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 21.88400 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 42.68375 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 85.36750 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 300 REMARK: AUTHORS STATE THAT THE BIOLOGICAL UNIT OF THIS PROTEIN REMARK 300 IS UNKNOWN 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 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 2720 ANGSTROM**2 REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 2 0.000000 -1.000000 0.000000 43.76800 REMARK 350 BIOMT2 2 -1.000000 0.000000 0.000000 43.76800 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 85.36750 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 GLY A -1 REMARK 465 HIS A 0 REMARK 465 MSE A 1 REMARK 465 SER A 2 REMARK 465 LEU A 3 REMARK 465 ASP A 4 REMARK 465 LEU A 5 REMARK 465 SER A 6 REMARK 465 VAL A 7 REMARK 465 ASP A 8 REMARK 465 ARG A 9 REMARK 465 SER A 10 REMARK 465 SER A 11 REMARK 465 PRO A 12 REMARK 465 VAL A 13 REMARK 465 PRO A 14 REMARK 465 LEU A 15 REMARK 465 TYR A 16 REMARK 465 PHE A 17 REMARK 465 GLN A 18 REMARK 465 LEU A 19 REMARK 465 SER A 20 REMARK 465 GLN A 21 REMARK 465 GLN A 22 REMARK 465 LEU A 23 REMARK 465 GLU A 24 REMARK 465 ALA A 25 REMARK 465 ALA A 26 REMARK 465 ILE A 27 REMARK 465 GLU A 28 REMARK 465 HIS A 29 REMARK 465 GLY A 30 REMARK 465 ALA A 31 REMARK 465 LEU A 32 REMARK 465 THR A 33 REMARK 465 PRO A 34 REMARK 465 GLY A 35 REMARK 465 SER A 36 REMARK 465 LEU A 37 REMARK 465 LEU A 38 REMARK 465 GLY A 39 REMARK 465 ASN A 40 REMARK 465 GLU A 41 REMARK 465 ILE A 42 REMARK 465 GLU A 43 REMARK 465 LEU A 44 REMARK 465 ALA A 45 REMARK 465 ALA A 46 REMARK 465 ARG A 47 REMARK 465 LEU A 48 REMARK 465 GLY A 49 REMARK 465 LEU A 50 REMARK 465 SER A 51 REMARK 465 ARG A 52 REMARK 465 PRO A 53 REMARK 465 THR A 54 REMARK 465 VAL A 55 REMARK 465 ARG A 56 REMARK 465 GLN A 57 REMARK 465 ALA A 58 REMARK 465 ILE A 59 REMARK 465 GLN A 60 REMARK 465 SER A 61 REMARK 465 LEU A 62 REMARK 465 VAL A 63 REMARK 465 ASP A 64 REMARK 465 LYS A 65 REMARK 465 GLY A 73 REMARK 465 VAL A 74 REMARK 465 GLY A 75 REMARK 465 THR A 76 REMARK 465 GLN A 77 REMARK 465 VAL A 78 REMARK 465 VAL A 79 REMARK 465 HIS A 80 REMARK 465 SER A 81 REMARK 465 LYS A 82 REMARK 465 VAL A 83 REMARK 465 ARG A 84 REMARK 465 ARG A 85 REMARK 465 PRO A 86 REMARK 465 LEU A 87 REMARK 465 GLU A 88 REMARK 465 LEU A 89 REMARK 465 SER A 90 REMARK 465 SER A 91 REMARK 465 LEU A 92 REMARK 465 TYR A 93 REMARK 465 ASP A 94 REMARK 465 ASP A 95 REMARK 465 LEU A 96 REMARK 465 GLU A 97 REMARK 465 ALA A 98 REMARK 465 ALA A 99 REMARK 465 GLY A 100 REMARK 465 GLN A 101 REMARK 465 ARG A 102 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O HOH A 251 O HOH A 299 2.11 REMARK 500 O4 SRT A 247 O HOH A 276 2.18 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 NH1 ARG A 70 O HOH A 281 3644 2.17 REMARK 500 NH1 ARG A 72 OE2 GLU A 130 3644 2.19 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ARG A 72 CA - C - O ANGL. DEV. = -47.7 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 ASP A 128 -0.20 64.11 REMARK 500 ASP A 160 117.60 -29.22 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 SRT A 247 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE IPA A 246 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: APC7351 RELATED DB: TARGETDB DBREF 2RA5 A 1 245 UNP Q9RKT6 Q9RKT6_STRCO 1 245 SEQADV 2RA5 GLY A -1 UNP Q9RKT6 EXPRESSION TAG SEQADV 2RA5 HIS A 0 UNP Q9RKT6 EXPRESSION TAG SEQRES 1 A 247 GLY HIS MSE SER LEU ASP LEU SER VAL ASP ARG SER SER SEQRES 2 A 247 PRO VAL PRO LEU TYR PHE GLN LEU SER GLN GLN LEU GLU SEQRES 3 A 247 ALA ALA ILE GLU HIS GLY ALA LEU THR PRO GLY SER LEU SEQRES 4 A 247 LEU GLY ASN GLU ILE GLU LEU ALA ALA ARG LEU GLY LEU SEQRES 5 A 247 SER ARG PRO THR VAL ARG GLN ALA ILE GLN SER LEU VAL SEQRES 6 A 247 ASP LYS GLY LEU LEU VAL ARG ARG ARG GLY VAL GLY THR SEQRES 7 A 247 GLN VAL VAL HIS SER LYS VAL ARG ARG PRO LEU GLU LEU SEQRES 8 A 247 SER SER LEU TYR ASP ASP LEU GLU ALA ALA GLY GLN ARG SEQRES 9 A 247 PRO ALA THR LYS VAL LEU VAL ASN THR VAL VAL PRO ALA SEQRES 10 A 247 THR ALA GLU ILE ALA ALA ALA LEU GLY VAL ALA GLU ASP SEQRES 11 A 247 SER GLU VAL HIS ARG ILE GLU ARG LEU ARG LEU THR HIS SEQRES 12 A 247 GLY GLU PRO MSE ALA TYR LEU CYS ASN TYR LEU PRO PRO SEQRES 13 A 247 GLY LEU VAL ASP LEU ASP THR GLY GLN LEU GLU ALA THR SEQRES 14 A 247 GLY LEU TYR ARG LEU MSE ARG ALA ALA GLY ILE THR LEU SEQRES 15 A 247 HIS SER ALA ARG GLN SER ILE GLY ALA ARG ALA ALA THR SEQRES 16 A 247 SER GLY GLU ALA GLU ARG LEU GLY GLU ASP ALA GLY ALA SEQRES 17 A 247 PRO LEU LEU THR MSE GLU ARG THR THR PHE ASP ASP THR SEQRES 18 A 247 GLY ARG ALA VAL GLU PHE GLY THR HIS THR TYR ARG PRO SEQRES 19 A 247 SER ARG TYR SER PHE GLU PHE GLN LEU LEU VAL ARG PRO MODRES 2RA5 MSE A 145 MET SELENOMETHIONINE MODRES 2RA5 MSE A 173 MET SELENOMETHIONINE MODRES 2RA5 MSE A 211 MET SELENOMETHIONINE HET MSE A 145 8 HET MSE A 173 8 HET MSE A 211 8 HET SRT A 247 10 HET IPA A 246 4 HETNAM MSE SELENOMETHIONINE HETNAM SRT S,R MESO-TARTARIC ACID HETNAM IPA ISOPROPYL ALCOHOL HETSYN IPA 2-PROPANOL FORMUL 1 MSE 3(C5 H11 N O2 SE) FORMUL 2 SRT C4 H6 O6 FORMUL 3 IPA C3 H8 O FORMUL 4 HOH *52(H2 O) HELIX 1 1 THR A 116 GLY A 124 1 9 HELIX 2 2 GLY A 162 THR A 167 1 6 HELIX 3 3 GLY A 168 ALA A 176 1 9 HELIX 4 4 THR A 193 GLY A 201 1 9 SHEET 1 A 2 LEU A 67 ARG A 71 0 SHEET 2 A 2 PHE A 239 VAL A 243 -1 O LEU A 242 N LEU A 68 SHEET 1 B 6 ALA A 104 PRO A 114 0 SHEET 2 B 6 GLU A 130 THR A 140 -1 O LEU A 139 N ALA A 104 SHEET 3 B 6 GLU A 143 LEU A 152 -1 O MSE A 145 N ARG A 138 SHEET 4 B 6 ALA A 222 TYR A 230 -1 O THR A 227 N CYS A 149 SHEET 5 B 6 PRO A 207 PHE A 216 -1 N THR A 215 O VAL A 223 SHEET 6 B 6 SER A 182 ALA A 191 -1 N ARG A 190 O LEU A 208 LINK C PRO A 144 N MSE A 145 1555 1555 1.33 LINK C MSE A 145 N ALA A 146 1555 1555 1.33 LINK C LEU A 172 N MSE A 173 1555 1555 1.33 LINK C MSE A 173 N ARG A 174 1555 1555 1.33 LINK C THR A 210 N MSE A 211 1555 1555 1.32 LINK C MSE A 211 N GLU A 212 1555 1555 1.32 SITE *** AC1 6 ARG A 136 ARG A 138 LEU A 169 TYR A 170 SITE *** AC1 6 ARG A 213 HOH A 276 SITE *** AC2 7 PRO A 114 ALA A 115 THR A 116 GLU A 127 SITE *** AC2 7 ASP A 128 ASP A 218 GLY A 220 CRYST1 43.768 43.768 170.735 90.00 90.00 90.00 P 43 21 2 8 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 0.022848 0.000000 0.000000 0.00000 SCALE2 0.000000 0.022848 0.000000 0.00000 SCALE3 0.000000 0.000000 0.005857 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 247 SRT H41 : A 247 SRT O41 : A 247 SRT C4 :(short bond) USER MOD NoAdj-H: A 247 SRT H1 : A 247 SRT O1 : A 247 SRT C1 :(short bond) USER MOD Set 1.1: A 170 TYR OH : rot -31:sc= 0.862 USER MOD Set 1.2: A 215 THR OG1 : rot 102:sc= 1.85 USER MOD Set 2.1: A 150 ASN : amide:sc= -0.712 K(o=-1.6,f=-0.21) USER MOD Set 2.2: A 228 HIS : no HD1:sc= -0.914 X(o=-1.6,f=-1.3) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -5.04! C(o=-5!,f=-3.2!) USER MOD Single : A 111 THR OG1 : rot 180:sc= -0.191 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot -87:sc= 1.28 USER MOD Single : A 132 HIS : no HD1:sc= -0.0236 X(o=-0.024,f=-0.07) USER MOD Single : A 140 THR OG1 : rot 30:sc= 0.213 USER MOD Single : A 141 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 147 TYR OH : rot 180:sc= 1.33 USER MOD Single : A 149 CYS SG : rot 180:sc= 0 USER MOD Single : A 151 TYR OH : rot 165:sc= -0.138 USER MOD Single : A 161 THR OG1 : rot 180:sc= 0.0172 USER MOD Single : A 163 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 167 THR OG1 : rot 180:sc= 0 USER MOD Single : A 179 THR OG1 : rot -150:sc= 0.0189 USER MOD Single : A 181 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 182 SER OG : rot 180:sc= 0 USER MOD Single : A 185 GLN : amide:sc= -0.152 K(o=-0.15,f=-2.4!) USER MOD Single : A 186 SER OG : rot 180:sc= 0 USER MOD Single : A 193 THR OG1 : rot 180:sc= -0.38 USER MOD Single : A 194 SER OG : rot 180:sc= 0 USER MOD Single : A 210 THR OG1 : rot 180:sc= 0 USER MOD Single : A 214 THR OG1 : rot -150:sc= 0.056 USER MOD Single : A 219 THR OG1 : rot -42:sc= 0.702 USER MOD Single : A 227 THR OG1 : rot 180:sc= 0 USER MOD Single : A 229 THR OG1 : rot 180:sc= -0.936 USER MOD Single : A 230 TYR OH : rot 180:sc= -0.0654 USER MOD Single : A 233 SER OG : rot 180:sc= 0 USER MOD Single : A 235 TYR OH : rot 180:sc= 0 USER MOD Single : A 236 SER OG : rot 109:sc= 0.473 USER MOD Single : A 240 GLN : amide:sc= -6.18! C(o=-6.2!,f=-4.3!) USER MOD Single : A 246 IPA O2 : rot 180:sc= 0 USER MOD Single : A 247 SRT O2 : rot 5:sc= -0.909! USER MOD Single : A 247 SRT O3 : rot 112:sc= -0.104 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 66 34.292 -0.545 41.392 1.00101.20 N ATOM 2 CA GLY A 66 34.446 0.672 42.173 1.00114.78 C ATOM 3 C GLY A 66 34.362 1.909 41.292 1.00108.11 C ATOM 4 O GLY A 66 34.663 1.833 40.093 1.00 93.25 O ATOM 0 HA2 GLY A 66 33.757 0.711 42.855 1.00114.78 H new ATOM 0 HA3 GLY A 66 35.300 0.658 42.633 1.00114.78 H new ATOM 5 N LEU A 67 33.962 3.040 41.880 1.00 87.44 N ATOM 6 CA LEU A 67 33.736 4.274 41.124 1.00 72.05 C ATOM 7 C LEU A 67 34.756 5.401 41.405 1.00 63.54 C ATOM 8 O LEU A 67 34.737 6.053 42.445 1.00 66.21 O ATOM 9 CB LEU A 67 32.298 4.761 41.333 1.00 71.16 C ATOM 10 CG LEU A 67 31.192 3.897 40.718 1.00 95.05 C ATOM 11 CD1 LEU A 67 29.871 3.998 41.476 1.00 97.10 C ATOM 12 CD2 LEU A 67 31.009 4.267 39.257 1.00 91.73 C ATOM 0 H LEU A 67 33.815 3.112 42.724 1.00 87.44 H new ATOM 0 HA LEU A 67 33.875 4.046 40.192 1.00 72.05 H new ATOM 0 HB2 LEU A 67 32.136 4.830 42.287 1.00 71.16 H new ATOM 0 HB3 LEU A 67 32.224 5.656 40.967 1.00 71.16 H new ATOM 0 HG LEU A 67 31.472 2.971 40.786 1.00 95.05 H new ATOM 0 HD11 LEU A 67 29.208 3.435 41.047 1.00 97.10 H new ATOM 0 HD12 LEU A 67 30.000 3.705 42.392 1.00 97.10 H new ATOM 0 HD13 LEU A 67 29.564 4.918 41.471 1.00 97.10 H new ATOM 0 HD21 LEU A 67 30.309 3.719 38.870 1.00 91.73 H new ATOM 0 HD22 LEU A 67 30.762 5.203 39.188 1.00 91.73 H new ATOM 0 HD23 LEU A 67 31.839 4.116 38.778 1.00 91.73 H new ATOM 13 N LEU A 68 35.645 5.623 40.451 1.00 63.57 N ATOM 14 CA LEU A 68 36.546 6.754 40.521 1.00 67.16 C ATOM 15 C LEU A 68 35.893 8.043 39.967 1.00 67.89 C ATOM 16 O LEU A 68 34.993 8.006 39.124 1.00 63.18 O ATOM 17 CB LEU A 68 37.852 6.433 39.794 1.00 58.21 C ATOM 18 CG LEU A 68 38.933 5.693 40.597 1.00 89.17 C ATOM 19 CD1 LEU A 68 40.187 5.484 39.771 1.00 93.24 C ATOM 20 CD2 LEU A 68 39.301 6.423 41.900 1.00 99.06 C ATOM 0 H LEU A 68 35.742 5.129 39.754 1.00 63.57 H new ATOM 0 HA LEU A 68 36.747 6.922 41.455 1.00 67.16 H new ATOM 0 HB2 LEU A 68 37.639 5.900 39.012 1.00 58.21 H new ATOM 0 HB3 LEU A 68 38.232 7.266 39.474 1.00 58.21 H new ATOM 0 HG LEU A 68 38.551 4.832 40.829 1.00 89.17 H new ATOM 0 HD11 LEU A 68 40.850 5.016 40.302 1.00 93.24 H new ATOM 0 HD12 LEU A 68 39.973 4.958 38.985 1.00 93.24 H new ATOM 0 HD13 LEU A 68 40.541 6.344 39.497 1.00 93.24 H new ATOM 0 HD21 LEU A 68 39.984 5.920 42.371 1.00 99.06 H new ATOM 0 HD22 LEU A 68 39.638 7.308 41.691 1.00 99.06 H new ATOM 0 HD23 LEU A 68 38.513 6.501 42.461 1.00 99.06 H new ATOM 21 N VAL A 69 36.359 9.183 40.457 1.00 66.26 N ATOM 22 CA VAL A 69 35.794 10.471 40.091 1.00 56.88 C ATOM 23 C VAL A 69 36.880 11.441 39.600 1.00 70.45 C ATOM 24 O VAL A 69 38.029 11.411 40.059 1.00 76.08 O ATOM 25 CB VAL A 69 34.950 11.057 41.283 1.00 83.30 C ATOM 26 CG1 VAL A 69 35.168 12.564 41.512 1.00 73.95 C ATOM 27 CG2 VAL A 69 33.473 10.740 41.082 1.00 88.34 C ATOM 0 H VAL A 69 37.014 9.231 41.013 1.00 66.26 H new ATOM 0 HA VAL A 69 35.188 10.344 39.344 1.00 56.88 H new ATOM 0 HB VAL A 69 35.268 10.623 42.090 1.00 83.30 H new ATOM 0 HG11 VAL A 69 34.622 12.861 42.257 1.00 73.95 H new ATOM 0 HG12 VAL A 69 36.103 12.729 41.711 1.00 73.95 H new ATOM 0 HG13 VAL A 69 34.917 13.053 40.713 1.00 73.95 H new ATOM 0 HG21 VAL A 69 32.960 11.104 41.820 1.00 88.34 H new ATOM 0 HG22 VAL A 69 33.167 11.135 40.251 1.00 88.34 H new ATOM 0 HG23 VAL A 69 33.350 9.778 41.047 1.00 88.34 H new ATOM 28 N ARG A 70 36.512 12.270 38.633 1.00 68.65 N ATOM 29 CA ARG A 70 37.366 13.346 38.159 1.00 72.25 C ATOM 30 C ARG A 70 36.491 14.584 38.048 1.00 82.92 C ATOM 31 O ARG A 70 35.403 14.529 37.474 1.00 74.17 O ATOM 32 CB ARG A 70 37.945 13.005 36.787 1.00 67.71 C ATOM 33 CG ARG A 70 38.734 11.701 36.719 1.00 73.69 C ATOM 34 CD ARG A 70 39.034 11.351 35.260 1.00105.92 C ATOM 35 NE ARG A 70 40.011 10.283 35.131 1.00121.75 N ATOM 36 CZ ARG A 70 40.446 9.836 33.956 1.00101.27 C ATOM 37 NH1 ARG A 70 39.980 10.385 32.824 1.00 64.73 N ATOM 38 NH2 ARG A 70 41.351 8.853 33.900 1.00 83.09 N ATOM 0 H ARG A 70 35.753 12.223 38.231 1.00 68.65 H new ATOM 0 HA ARG A 70 38.107 13.487 38.769 1.00 72.25 H new ATOM 0 HB2 ARG A 70 37.217 12.959 36.147 1.00 67.71 H new ATOM 0 HB3 ARG A 70 38.524 13.731 36.507 1.00 67.71 H new ATOM 0 HG2 ARG A 70 39.562 11.788 37.216 1.00 73.69 H new ATOM 0 HG3 ARG A 70 38.228 10.985 37.134 1.00 73.69 H new ATOM 0 HD2 ARG A 70 38.212 11.087 34.818 1.00105.92 H new ATOM 0 HD3 ARG A 70 39.361 12.141 34.802 1.00105.92 H new ATOM 0 HE ARG A 70 40.322 9.923 35.847 1.00121.75 H new ATOM 0 HH11 ARG A 70 39.403 11.022 32.861 1.00 64.73 H new ATOM 0 HH12 ARG A 70 40.258 10.100 32.062 1.00 64.73 H new ATOM 0 HH21 ARG A 70 41.655 8.506 34.626 1.00 83.09 H new ATOM 0 HH22 ARG A 70 41.629 8.567 33.138 1.00 83.09 H new ATOM 39 N ARG A 71 36.941 15.701 38.603 1.00 92.53 N ATOM 40 CA ARG A 71 36.154 16.924 38.511 1.00 96.91 C ATOM 41 C ARG A 71 36.419 17.605 37.175 1.00100.50 C ATOM 42 O ARG A 71 37.569 17.734 36.762 1.00105.07 O ATOM 43 CB ARG A 71 36.526 17.877 39.635 1.00115.06 C ATOM 44 CG ARG A 71 36.352 17.295 41.026 1.00135.96 C ATOM 45 CD ARG A 71 36.783 18.325 42.087 1.00157.17 C ATOM 46 NE ARG A 71 36.561 17.829 43.439 1.00157.77 N ATOM 47 CZ ARG A 71 36.658 18.588 44.531 1.00155.80 C ATOM 48 NH1 ARG A 71 36.979 19.884 44.424 1.00151.24 N ATOM 49 NH2 ARG A 71 36.437 18.060 45.737 1.00132.03 N ATOM 0 H ARG A 71 37.684 15.774 39.029 1.00 92.53 H new ATOM 0 HA ARG A 71 35.215 16.694 38.584 1.00 96.91 H new ATOM 0 HB2 ARG A 71 37.450 18.149 39.522 1.00115.06 H new ATOM 0 HB3 ARG A 71 35.983 18.678 39.560 1.00115.06 H new ATOM 0 HG2 ARG A 71 35.426 17.044 41.166 1.00135.96 H new ATOM 0 HG3 ARG A 71 36.881 16.487 41.115 1.00135.96 H new ATOM 0 HD2 ARG A 71 37.722 18.537 41.970 1.00157.17 H new ATOM 0 HD3 ARG A 71 36.288 19.149 41.959 1.00157.17 H new ATOM 0 HE ARG A 71 36.356 17.000 43.538 1.00157.77 H new ATOM 0 HH11 ARG A 71 37.123 20.229 43.649 1.00151.24 H new ATOM 0 HH12 ARG A 71 37.041 20.371 45.130 1.00151.24 H new ATOM 0 HH21 ARG A 71 36.231 17.228 45.811 1.00132.03 H new ATOM 0 HH22 ARG A 71 36.500 18.552 46.440 1.00132.03 H new ATOM 50 N ARG A 72 35.351 18.027 36.502 1.00107.25 N ATOM 51 CA ARG A 72 35.465 18.833 35.286 1.00112.21 C ATOM 52 C ARG A 72 35.264 20.319 35.571 1.00 98.99 C ATOM 53 O ARG A 72 36.432 20.049 35.818 1.00112.41 O ATOM 54 CB ARG A 72 34.566 18.295 34.189 1.00 86.21 C ATOM 55 CG ARG A 72 35.308 17.210 33.499 1.00 82.69 C ATOM 56 CD ARG A 72 34.451 16.446 32.557 1.00 99.58 C ATOM 57 NE ARG A 72 35.204 16.378 31.320 1.00149.12 N ATOM 58 CZ ARG A 72 35.009 15.499 30.353 1.00116.16 C ATOM 59 NH1 ARG A 72 34.053 14.567 30.426 1.00 94.77 N ATOM 60 NH2 ARG A 72 35.786 15.581 29.297 1.00 81.19 N ATOM 0 H ARG A 72 34.541 17.855 36.736 1.00107.25 H new ATOM 0 HA ARG A 72 36.373 18.756 34.953 1.00112.21 H new ATOM 0 HB2 ARG A 72 33.736 17.958 34.562 1.00 86.21 H new ATOM 0 HB3 ARG A 72 34.331 18.999 33.564 1.00 86.21 H new ATOM 0 HG2 ARG A 72 36.056 17.592 33.014 1.00 82.69 H new ATOM 0 HG3 ARG A 72 35.678 16.604 34.160 1.00 82.69 H new ATOM 0 HD2 ARG A 72 34.260 15.559 32.899 1.00 99.58 H new ATOM 0 HD3 ARG A 72 33.598 16.888 32.423 1.00 99.58 H new ATOM 0 HE ARG A 72 35.829 16.958 31.206 1.00149.12 H new ATOM 0 HH11 ARG A 72 33.543 14.527 31.117 1.00 94.77 H new ATOM 0 HH12 ARG A 72 33.948 14.007 29.782 1.00 94.77 H new ATOM 0 HH21 ARG A 72 36.392 16.190 29.255 1.00 81.19 H new ATOM 0 HH22 ARG A 72 35.689 15.026 28.647 1.00 81.19 H new ATOM 61 N PRO A 103 39.233 30.991 39.516 1.00 88.47 N ATOM 62 CA PRO A 103 38.586 32.278 39.652 1.00 97.68 C ATOM 63 C PRO A 103 39.405 33.222 40.560 1.00 92.81 C ATOM 64 O PRO A 103 40.505 32.879 40.988 1.00 99.86 O ATOM 65 CB PRO A 103 37.381 31.868 40.492 1.00 75.20 C ATOM 66 CG PRO A 103 37.985 30.573 41.354 1.00108.33 C ATOM 67 CD PRO A 103 39.422 30.435 40.847 1.00111.55 C ATOM 0 HA PRO A 103 38.434 32.723 38.803 1.00 97.68 H new ATOM 0 HB2 PRO A 103 37.083 32.585 41.074 1.00 75.20 H new ATOM 0 HB3 PRO A 103 36.623 31.616 39.941 1.00 75.20 H new ATOM 0 HG2 PRO A 103 37.959 30.738 42.309 1.00108.33 H new ATOM 0 HG3 PRO A 103 37.471 29.766 41.191 1.00108.33 H new ATOM 0 HD2 PRO A 103 40.059 30.938 41.378 1.00111.55 H new ATOM 0 HD3 PRO A 103 39.729 29.515 40.831 1.00111.55 H new ATOM 68 N ALA A 104 38.847 34.382 40.904 1.00 74.45 N ATOM 69 CA ALA A 104 39.478 35.267 41.889 1.00 80.69 C ATOM 70 C ALA A 104 38.740 35.248 43.224 1.00 77.20 C ATOM 71 O ALA A 104 37.504 35.219 43.282 1.00 60.89 O ATOM 72 CB ALA A 104 39.573 36.688 41.367 1.00 74.35 C ATOM 0 H ALA A 104 38.106 34.676 40.581 1.00 74.45 H new ATOM 0 HA ALA A 104 40.375 34.929 42.037 1.00 80.69 H new ATOM 0 HB1 ALA A 104 39.993 37.251 42.036 1.00 74.35 H new ATOM 0 HB2 ALA A 104 40.104 36.700 40.555 1.00 74.35 H new ATOM 0 HB3 ALA A 104 38.683 37.023 41.176 1.00 74.35 H new ATOM 73 N THR A 105 39.501 35.281 44.306 1.00 64.99 N ATOM 74 CA THR A 105 38.899 35.150 45.629 1.00 75.84 C ATOM 75 C THR A 105 39.063 36.407 46.488 1.00 64.48 C ATOM 76 O THR A 105 40.155 36.978 46.567 1.00 76.80 O ATOM 77 CB THR A 105 39.465 33.909 46.365 1.00 69.72 C ATOM 78 OG1 THR A 105 39.157 33.981 47.766 1.00 84.69 O ATOM 79 CG2 THR A 105 40.969 33.832 46.188 1.00 82.11 C ATOM 0 H THR A 105 40.356 35.377 44.301 1.00 64.99 H new ATOM 0 HA THR A 105 37.946 35.032 45.490 1.00 75.84 H new ATOM 0 HB THR A 105 39.056 33.116 45.984 1.00 69.72 H new ATOM 0 HG1 THR A 105 39.466 33.304 48.156 1.00 84.69 H new ATOM 0 HG21 THR A 105 41.310 33.052 46.653 1.00 82.11 H new ATOM 0 HG22 THR A 105 41.181 33.764 45.244 1.00 82.11 H new ATOM 0 HG23 THR A 105 41.379 34.631 46.554 1.00 82.11 H new ATOM 80 N LYS A 106 37.972 36.842 47.115 1.00 68.79 N ATOM 81 CA LYS A 106 38.020 37.954 48.068 1.00 88.12 C ATOM 82 C LYS A 106 37.455 37.600 49.450 1.00 77.28 C ATOM 83 O LYS A 106 36.278 37.266 49.590 1.00 67.04 O ATOM 84 CB LYS A 106 37.288 39.169 47.502 1.00 78.51 C ATOM 85 CG LYS A 106 38.024 39.812 46.341 1.00114.97 C ATOM 86 CD LYS A 106 37.451 41.172 45.997 1.00141.02 C ATOM 87 CE LYS A 106 38.188 41.794 44.819 1.00128.37 C ATOM 88 NZ LYS A 106 37.565 43.086 44.402 1.00117.43 N ATOM 0 H LYS A 106 37.189 36.505 47.003 1.00 68.79 H new ATOM 0 HA LYS A 106 38.959 38.161 48.196 1.00 88.12 H new ATOM 0 HB2 LYS A 106 36.403 38.901 47.209 1.00 78.51 H new ATOM 0 HB3 LYS A 106 37.167 39.825 48.206 1.00 78.51 H new ATOM 0 HG2 LYS A 106 38.963 39.904 46.564 1.00114.97 H new ATOM 0 HG3 LYS A 106 37.972 39.233 45.564 1.00114.97 H new ATOM 0 HD2 LYS A 106 36.509 41.085 45.784 1.00141.02 H new ATOM 0 HD3 LYS A 106 37.514 41.757 46.768 1.00141.02 H new ATOM 0 HE2 LYS A 106 39.116 41.944 45.059 1.00128.37 H new ATOM 0 HE3 LYS A 106 38.185 41.176 44.071 1.00128.37 H new ATOM 0 HZ1 LYS A 106 38.016 43.425 43.714 1.00117.43 H new ATOM 0 HZ2 LYS A 106 36.720 42.944 44.162 1.00117.43 H new ATOM 0 HZ3 LYS A 106 37.587 43.660 45.082 1.00117.43 H new ATOM 89 N VAL A 107 38.293 37.686 50.476 1.00 65.62 N ATOM 90 CA VAL A 107 37.849 37.377 51.830 1.00 72.14 C ATOM 91 C VAL A 107 36.916 38.435 52.431 1.00 63.16 C ATOM 92 O VAL A 107 37.276 39.600 52.529 1.00 71.93 O ATOM 93 CB VAL A 107 39.030 37.221 52.778 1.00 73.78 C ATOM 94 CG1 VAL A 107 38.517 36.834 54.149 1.00 57.28 C ATOM 95 CG2 VAL A 107 40.005 36.189 52.249 1.00 51.40 C ATOM 0 H VAL A 107 39.118 37.920 50.411 1.00 65.62 H new ATOM 0 HA VAL A 107 37.358 36.545 51.741 1.00 72.14 H new ATOM 0 HB VAL A 107 39.506 38.064 52.845 1.00 73.78 H new ATOM 0 HG11 VAL A 107 39.265 36.733 54.758 1.00 57.28 H new ATOM 0 HG12 VAL A 107 37.923 37.526 54.479 1.00 57.28 H new ATOM 0 HG13 VAL A 107 38.034 35.995 54.089 1.00 57.28 H new ATOM 0 HG21 VAL A 107 40.750 36.102 52.864 1.00 51.40 H new ATOM 0 HG22 VAL A 107 39.556 35.333 52.163 1.00 51.40 H new ATOM 0 HG23 VAL A 107 40.334 36.470 51.381 1.00 51.40 H new ATOM 96 N LEU A 108 35.727 38.016 52.851 1.00 58.60 N ATOM 97 CA LEU A 108 34.759 38.922 53.472 1.00 50.02 C ATOM 98 C LEU A 108 34.678 38.792 54.997 1.00 72.25 C ATOM 99 O LEU A 108 34.254 39.717 55.674 1.00 62.12 O ATOM 100 CB LEU A 108 33.365 38.701 52.890 1.00 60.26 C ATOM 101 CG LEU A 108 33.225 38.831 51.372 1.00 80.08 C ATOM 102 CD1 LEU A 108 31.780 39.127 51.013 1.00 70.47 C ATOM 103 CD2 LEU A 108 34.125 39.930 50.849 1.00 73.32 C ATOM 0 H LEU A 108 35.457 37.202 52.786 1.00 58.60 H new ATOM 0 HA LEU A 108 35.080 39.815 53.272 1.00 50.02 H new ATOM 0 HB2 LEU A 108 33.067 37.814 53.147 1.00 60.26 H new ATOM 0 HB3 LEU A 108 32.760 39.335 53.305 1.00 60.26 H new ATOM 0 HG LEU A 108 33.491 37.994 50.961 1.00 80.08 H new ATOM 0 HD11 LEU A 108 31.696 39.209 50.050 1.00 70.47 H new ATOM 0 HD12 LEU A 108 31.214 38.404 51.327 1.00 70.47 H new ATOM 0 HD13 LEU A 108 31.506 39.957 51.433 1.00 70.47 H new ATOM 0 HD21 LEU A 108 34.025 40.000 49.887 1.00 73.32 H new ATOM 0 HD22 LEU A 108 33.880 40.773 51.261 1.00 73.32 H new ATOM 0 HD23 LEU A 108 35.048 39.722 51.063 1.00 73.32 H new ATOM 104 N VAL A 109 35.049 37.636 55.532 1.00 61.27 N ATOM 105 CA VAL A 109 35.030 37.427 56.968 1.00 51.01 C ATOM 106 C VAL A 109 36.144 36.488 57.394 1.00 54.61 C ATOM 107 O VAL A 109 36.314 35.400 56.850 1.00 55.40 O ATOM 108 CB VAL A 109 33.690 36.860 57.464 1.00 76.42 C ATOM 109 CG1 VAL A 109 33.837 36.381 58.899 1.00 53.30 C ATOM 110 CG2 VAL A 109 32.583 37.904 57.340 1.00 53.83 C ATOM 0 H VAL A 109 35.316 36.958 55.076 1.00 61.27 H new ATOM 0 HA VAL A 109 35.159 38.301 57.368 1.00 51.01 H new ATOM 0 HB VAL A 109 33.441 36.104 56.910 1.00 76.42 H new ATOM 0 HG11 VAL A 109 32.990 36.024 59.209 1.00 53.30 H new ATOM 0 HG12 VAL A 109 34.515 35.688 58.941 1.00 53.30 H new ATOM 0 HG13 VAL A 109 34.100 37.125 59.463 1.00 53.30 H new ATOM 0 HG21 VAL A 109 31.747 37.528 57.657 1.00 53.83 H new ATOM 0 HG22 VAL A 109 32.810 38.682 57.873 1.00 53.83 H new ATOM 0 HG23 VAL A 109 32.488 38.166 56.411 1.00 53.83 H new ATOM 111 N ASN A 110 36.915 36.929 58.370 1.00 37.30 N ATOM 112 CA ASN A 110 37.888 36.063 59.023 1.00 55.96 C ATOM 113 C ASN A 110 37.799 36.213 60.567 1.00 52.31 C ATOM 114 O ASN A 110 38.399 37.088 61.178 1.00 40.26 O ATOM 115 CB ASN A 110 39.274 36.373 58.472 1.00 47.82 C ATOM 116 CG ASN A 110 40.306 35.367 58.882 1.00 57.21 C ATOM 117 OD1 ASN A 110 40.078 34.525 59.752 1.00 69.22 O ATOM 118 ND2 ASN A 110 41.467 35.453 58.263 1.00 65.15 N ATOM 0 H ASN A 110 36.893 37.733 58.674 1.00 37.30 H new ATOM 0 HA ASN A 110 37.696 35.132 58.832 1.00 55.96 H new ATOM 0 HB2 ASN A 110 39.231 36.408 57.504 1.00 47.82 H new ATOM 0 HB3 ASN A 110 39.548 37.252 58.776 1.00 47.82 H new ATOM 0 HD21 ASN A 110 42.102 34.908 58.462 1.00 65.15 H new ATOM 0 HD22 ASN A 110 41.590 36.054 57.660 1.00 65.15 H new ATOM 119 N THR A 111 37.017 35.358 61.198 1.00 47.14 N ATOM 120 CA THR A 111 36.730 35.545 62.600 1.00 42.55 C ATOM 121 C THR A 111 36.713 34.250 63.459 1.00 54.92 C ATOM 122 O THR A 111 36.920 33.127 62.987 1.00 41.57 O ATOM 123 CB THR A 111 35.412 36.371 62.754 1.00 47.74 C ATOM 124 OG1 THR A 111 35.217 36.768 64.121 1.00 52.42 O ATOM 125 CG2 THR A 111 34.198 35.608 62.229 1.00 41.11 C ATOM 0 H THR A 111 36.647 34.671 60.836 1.00 47.14 H new ATOM 0 HA THR A 111 37.479 36.041 62.966 1.00 42.55 H new ATOM 0 HB THR A 111 35.505 37.170 62.213 1.00 47.74 H new ATOM 0 HG1 THR A 111 34.506 37.211 64.186 1.00 52.42 H new ATOM 0 HG21 THR A 111 33.402 36.150 62.341 1.00 41.11 H new ATOM 0 HG22 THR A 111 34.323 35.408 61.288 1.00 41.11 H new ATOM 0 HG23 THR A 111 34.097 34.780 62.724 1.00 41.11 H new ATOM 126 N VAL A 112 36.505 34.447 64.748 1.00 50.80 N ATOM 127 CA VAL A 112 36.402 33.359 65.703 1.00 48.20 C ATOM 128 C VAL A 112 35.039 33.490 66.367 1.00 39.82 C ATOM 129 O VAL A 112 34.566 34.598 66.642 1.00 44.57 O ATOM 130 CB VAL A 112 37.535 33.397 66.744 1.00 45.03 C ATOM 131 CG1 VAL A 112 37.262 32.426 67.807 1.00 51.08 C ATOM 132 CG2 VAL A 112 38.883 33.066 66.111 1.00 35.78 C ATOM 0 H VAL A 112 36.418 35.227 65.099 1.00 50.80 H new ATOM 0 HA VAL A 112 36.490 32.505 65.252 1.00 48.20 H new ATOM 0 HB VAL A 112 37.574 34.295 67.108 1.00 45.03 H new ATOM 0 HG11 VAL A 112 37.978 32.452 68.461 1.00 51.08 H new ATOM 0 HG12 VAL A 112 36.422 32.646 68.239 1.00 51.08 H new ATOM 0 HG13 VAL A 112 37.206 31.536 67.426 1.00 51.08 H new ATOM 0 HG21 VAL A 112 39.576 33.098 66.789 1.00 35.78 H new ATOM 0 HG22 VAL A 112 38.850 32.177 65.725 1.00 35.78 H new ATOM 0 HG23 VAL A 112 39.082 33.713 65.416 1.00 35.78 H new ATOM 133 N VAL A 113 34.417 32.352 66.645 1.00 46.68 N ATOM 134 CA VAL A 113 32.970 32.295 66.788 1.00 42.05 C ATOM 135 C VAL A 113 32.616 31.065 67.637 1.00 50.19 C ATOM 136 O VAL A 113 33.350 30.080 67.627 1.00 36.82 O ATOM 137 CB VAL A 113 32.347 32.236 65.350 1.00 48.92 C ATOM 138 CG1 VAL A 113 31.267 31.225 65.242 1.00 46.82 C ATOM 139 CG2 VAL A 113 31.898 33.623 64.887 1.00 46.50 C ATOM 0 H VAL A 113 34.817 31.599 66.755 1.00 46.68 H new ATOM 0 HA VAL A 113 32.612 33.075 67.239 1.00 42.05 H new ATOM 0 HB VAL A 113 33.045 31.942 64.744 1.00 48.92 H new ATOM 0 HG11 VAL A 113 30.913 31.224 64.339 1.00 46.82 H new ATOM 0 HG12 VAL A 113 31.623 30.347 65.450 1.00 46.82 H new ATOM 0 HG13 VAL A 113 30.557 31.441 65.867 1.00 46.82 H new ATOM 0 HG21 VAL A 113 31.517 33.560 63.997 1.00 46.50 H new ATOM 0 HG22 VAL A 113 31.230 33.969 65.500 1.00 46.50 H new ATOM 0 HG23 VAL A 113 32.661 34.221 64.870 1.00 46.50 H new ATOM 140 N PRO A 114 31.523 31.127 68.410 1.00 40.58 N ATOM 141 CA PRO A 114 31.123 29.933 69.173 1.00 44.77 C ATOM 142 C PRO A 114 30.339 28.961 68.310 1.00 54.89 C ATOM 143 O PRO A 114 29.466 29.414 67.584 1.00 47.05 O ATOM 144 CB PRO A 114 30.214 30.513 70.267 1.00 42.47 C ATOM 145 CG PRO A 114 29.718 31.821 69.679 1.00 40.10 C ATOM 146 CD PRO A 114 30.905 32.354 68.950 1.00 47.84 C ATOM 0 HA PRO A 114 31.883 29.435 69.513 1.00 44.77 H new ATOM 0 HB2 PRO A 114 29.479 29.914 70.472 1.00 42.47 H new ATOM 0 HB3 PRO A 114 30.701 30.657 71.093 1.00 42.47 H new ATOM 0 HG2 PRO A 114 28.967 31.681 69.082 1.00 40.10 H new ATOM 0 HG3 PRO A 114 29.421 32.433 70.371 1.00 40.10 H new ATOM 0 HD2 PRO A 114 30.650 32.970 68.246 1.00 47.84 H new ATOM 0 HD3 PRO A 114 31.507 32.832 69.541 1.00 47.84 H new ATOM 147 N ALA A 115 30.616 27.661 68.392 1.00 45.50 N ATOM 148 CA ALA A 115 29.904 26.697 67.552 1.00 36.32 C ATOM 149 C ALA A 115 28.414 26.560 67.908 1.00 44.16 C ATOM 150 O ALA A 115 28.057 26.378 69.063 1.00 50.77 O ATOM 151 CB ALA A 115 30.589 25.349 67.588 1.00 42.40 C ATOM 0 H ALA A 115 31.204 27.319 68.919 1.00 45.50 H new ATOM 0 HA ALA A 115 29.936 27.048 66.648 1.00 36.32 H new ATOM 0 HB1 ALA A 115 30.104 24.724 67.027 1.00 42.40 H new ATOM 0 HB2 ALA A 115 31.498 25.439 67.261 1.00 42.40 H new ATOM 0 HB3 ALA A 115 30.605 25.018 68.500 1.00 42.40 H new ATOM 152 N THR A 116 27.549 26.704 66.908 1.00 47.95 N ATOM 153 CA THR A 116 26.129 26.387 67.053 1.00 46.76 C ATOM 154 C THR A 116 26.026 24.876 67.021 1.00 55.75 C ATOM 155 O THR A 116 27.027 24.182 66.826 1.00 53.83 O ATOM 156 CB THR A 116 25.302 26.932 65.883 1.00 49.47 C ATOM 157 OG1 THR A 116 25.825 26.396 64.661 1.00 50.44 O ATOM 158 CG2 THR A 116 25.395 28.454 65.830 1.00 51.41 C ATOM 0 H THR A 116 27.768 26.988 66.126 1.00 47.95 H new ATOM 0 HA THR A 116 25.792 26.781 67.873 1.00 46.76 H new ATOM 0 HB THR A 116 24.374 26.674 66.002 1.00 49.47 H new ATOM 0 HG1 THR A 116 25.377 26.688 64.013 1.00 50.44 H new ATOM 0 HG21 THR A 116 24.868 28.785 65.086 1.00 51.41 H new ATOM 0 HG22 THR A 116 25.056 28.828 66.658 1.00 51.41 H new ATOM 0 HG23 THR A 116 26.321 28.718 65.712 1.00 51.41 H new ATOM 159 N ALA A 117 24.818 24.362 67.189 1.00 56.21 N ATOM 160 CA ALA A 117 24.642 22.926 67.260 1.00 66.88 C ATOM 161 C ALA A 117 25.001 22.268 65.942 1.00 53.55 C ATOM 162 O ALA A 117 25.633 21.221 65.931 1.00 62.59 O ATOM 163 CB ALA A 117 23.235 22.572 67.682 1.00 56.44 C ATOM 0 H ALA A 117 24.096 24.823 67.263 1.00 56.21 H new ATOM 0 HA ALA A 117 25.248 22.584 67.936 1.00 66.88 H new ATOM 0 HB1 ALA A 117 23.142 21.607 67.722 1.00 56.44 H new ATOM 0 HB2 ALA A 117 23.054 22.951 68.557 1.00 56.44 H new ATOM 0 HB3 ALA A 117 22.604 22.931 67.038 1.00 56.44 H new ATOM 164 N AGLU A 118 24.598 22.904 64.833 0.50 47.51 N ATOM 165 N BGLU A 118 24.614 22.873 64.815 0.50 48.00 N ATOM 166 CA AGLU A 118 24.882 22.415 63.487 0.50 53.72 C ATOM 167 CA BGLU A 118 24.934 22.260 63.532 0.50 53.79 C ATOM 168 C AGLU A 118 26.383 22.345 63.221 0.50 53.45 C ATOM 169 C BGLU A 118 26.429 22.311 63.226 0.50 53.09 C ATOM 170 O AGLU A 118 26.896 21.351 62.707 0.50 48.65 O ATOM 171 O BGLU A 118 26.987 21.361 62.679 0.50 47.38 O ATOM 172 CB AGLU A 118 24.190 23.297 62.432 0.50 57.37 C ATOM 173 CB BGLU A 118 24.115 22.852 62.383 0.50 59.27 C ATOM 174 CG AGLU A 118 24.630 23.017 60.986 0.50 70.39 C ATOM 175 CG BGLU A 118 24.372 22.154 61.035 0.50 73.66 C ATOM 176 CD AGLU A 118 23.713 23.648 59.945 0.50 79.37 C ATOM 177 CD BGLU A 118 24.203 20.630 61.093 0.50 71.19 C ATOM 178 OE1AGLU A 118 22.709 24.277 60.344 0.50 87.38 O ATOM 179 OE1BGLU A 118 23.115 20.157 61.484 0.50 71.09 O ATOM 180 OE2AGLU A 118 23.994 23.510 58.729 0.50 64.23 O ATOM 181 OE2BGLU A 118 25.156 19.902 60.735 0.50 53.24 O ATOM 0 H AGLU A 118 24.149 23.637 64.847 0.50 48.00 H new ATOM 0 H BGLU A 118 24.180 23.614 64.774 0.50 48.00 H new ATOM 0 HA AGLU A 118 24.527 21.515 63.422 0.50 53.79 H new ATOM 0 HA BGLU A 118 24.685 21.326 63.611 0.50 53.79 H new ATOM 0 HB2AGLU A 118 23.231 23.169 62.498 0.50 59.27 H new ATOM 0 HB2BGLU A 118 23.172 22.788 62.599 0.50 59.27 H new ATOM 0 HB3AGLU A 118 24.367 24.228 62.638 0.50 59.27 H new ATOM 0 HB3BGLU A 118 24.323 23.795 62.297 0.50 59.27 H new ATOM 0 HG2AGLU A 118 25.532 23.351 60.858 0.50 73.66 H new ATOM 0 HG2BGLU A 118 23.764 22.515 60.371 0.50 73.66 H new ATOM 0 HG3AGLU A 118 24.660 22.058 60.843 0.50 73.66 H new ATOM 0 HG3BGLU A 118 25.272 22.361 60.738 0.50 73.66 H new ATOM 182 N ILE A 119 27.087 23.405 63.588 1.00 49.16 N ATOM 183 CA ILE A 119 28.527 23.463 63.386 1.00 51.28 C ATOM 184 C ILE A 119 29.238 22.461 64.288 1.00 47.67 C ATOM 185 O ILE A 119 30.189 21.811 63.864 1.00 47.23 O ATOM 186 CB ILE A 119 29.108 24.880 63.581 1.00 55.65 C ATOM 187 CG1 ILE A 119 28.575 25.832 62.511 1.00 53.15 C ATOM 188 CG2 ILE A 119 30.639 24.850 63.531 1.00 43.49 C ATOM 189 CD1 ILE A 119 28.700 27.290 62.918 1.00 68.61 C ATOM 0 H AILE A 119 26.749 24.104 63.957 0.50 49.16 H new ATOM 0 H BILE A 119 26.732 24.104 63.941 0.50 49.16 H new ATOM 0 HA ILE A 119 28.686 23.224 62.459 1.00 51.28 H new ATOM 0 HB ILE A 119 28.830 25.199 64.454 1.00 55.65 H new ATOM 0 HG12 ILE A 119 29.059 25.687 61.683 1.00 53.15 H new ATOM 0 HG13 ILE A 119 27.644 25.627 62.334 1.00 53.15 H new ATOM 0 HG21 ILE A 119 30.985 25.748 63.655 1.00 43.49 H new ATOM 0 HG22 ILE A 119 30.975 24.274 64.236 1.00 43.49 H new ATOM 0 HG23 ILE A 119 30.928 24.509 62.670 1.00 43.49 H new ATOM 0 HD11 ILE A 119 28.351 27.855 62.211 1.00 68.61 H new ATOM 0 HD12 ILE A 119 28.196 27.443 63.732 1.00 68.61 H new ATOM 0 HD13 ILE A 119 29.634 27.505 63.071 1.00 68.61 H new ATOM 190 N ALA A 120 28.776 22.338 65.530 1.00 50.05 N ATOM 191 CA ALA A 120 29.388 21.418 66.488 1.00 41.22 C ATOM 192 C ALA A 120 29.231 19.982 65.984 1.00 40.49 C ATOM 193 O ALA A 120 30.191 19.196 65.919 1.00 43.05 O ATOM 194 CB ALA A 120 28.734 21.576 67.839 1.00 43.51 C ATOM 0 H ALA A 120 28.106 22.780 65.839 1.00 50.05 H new ATOM 0 HA ALA A 120 30.332 21.621 66.576 1.00 41.22 H new ATOM 0 HB1 ALA A 120 29.143 20.964 68.470 1.00 43.51 H new ATOM 0 HB2 ALA A 120 28.851 22.487 68.151 1.00 43.51 H new ATOM 0 HB3 ALA A 120 27.787 21.379 67.765 1.00 43.51 H new ATOM 195 N ALA A 121 28.008 19.653 65.604 1.00 35.84 N ATOM 196 CA ALA A 121 27.712 18.385 64.945 1.00 50.76 C ATOM 197 C ALA A 121 28.632 18.079 63.757 1.00 54.62 C ATOM 198 O ALA A 121 29.210 16.989 63.695 1.00 48.38 O ATOM 199 CB ALA A 121 26.237 18.347 64.508 1.00 39.07 C ATOM 0 H ALA A 121 27.321 20.158 65.720 1.00 35.84 H new ATOM 0 HA ALA A 121 27.880 17.690 65.600 1.00 50.76 H new ATOM 0 HB1 ALA A 121 26.050 17.501 64.071 1.00 39.07 H new ATOM 0 HB2 ALA A 121 25.666 18.442 65.286 1.00 39.07 H new ATOM 0 HB3 ALA A 121 26.063 19.074 63.890 1.00 39.07 H new ATOM 200 N ALA A 122 28.778 19.026 62.826 1.00 38.52 N ATOM 201 CA ALA A 122 29.605 18.775 61.640 1.00 44.36 C ATOM 202 C ALA A 122 31.051 18.508 62.035 1.00 41.79 C ATOM 203 O ALA A 122 31.658 17.541 61.588 1.00 47.95 O ATOM 204 CB ALA A 122 29.512 19.940 60.619 1.00 35.57 C ATOM 0 H ALA A 122 28.415 19.805 62.859 1.00 38.52 H new ATOM 0 HA ALA A 122 29.258 17.981 61.204 1.00 44.36 H new ATOM 0 HB1 ALA A 122 30.069 19.742 59.850 1.00 35.57 H new ATOM 0 HB2 ALA A 122 28.592 20.047 60.332 1.00 35.57 H new ATOM 0 HB3 ALA A 122 29.817 20.761 61.036 1.00 35.57 H new ATOM 205 N LEU A 123 31.581 19.336 62.923 1.00 45.31 N ATOM 206 CA LEU A 123 33.011 19.327 63.226 1.00 38.60 C ATOM 207 C LEU A 123 33.391 18.369 64.355 1.00 42.43 C ATOM 208 O LEU A 123 34.576 18.086 64.563 1.00 39.00 O ATOM 209 CB LEU A 123 33.447 20.762 63.568 1.00 37.52 C ATOM 210 CG LEU A 123 34.421 21.628 62.752 1.00 61.53 C ATOM 211 CD1 LEU A 123 34.597 21.232 61.306 1.00 32.97 C ATOM 212 CD2 LEU A 123 33.952 23.051 62.816 1.00 36.60 C ATOM 0 H LEU A 123 31.128 19.917 63.367 1.00 45.31 H new ATOM 0 HA LEU A 123 33.477 19.001 62.440 1.00 38.60 H new ATOM 0 HB2 LEU A 123 32.627 21.277 63.631 1.00 37.52 H new ATOM 0 HB3 LEU A 123 33.822 20.716 64.461 1.00 37.52 H new ATOM 0 HG LEU A 123 35.293 21.498 63.156 1.00 61.53 H new ATOM 0 HD11 LEU A 123 35.226 21.834 60.880 1.00 32.97 H new ATOM 0 HD12 LEU A 123 34.936 20.324 61.258 1.00 32.97 H new ATOM 0 HD13 LEU A 123 33.742 21.282 60.850 1.00 32.97 H new ATOM 0 HD21 LEU A 123 34.555 23.614 62.306 1.00 36.60 H new ATOM 0 HD22 LEU A 123 33.059 23.115 62.444 1.00 36.60 H new ATOM 0 HD23 LEU A 123 33.939 23.346 63.740 1.00 36.60 H new ATOM 213 N GLY A 124 32.395 17.878 65.092 1.00 35.53 N ATOM 214 CA GLY A 124 32.680 17.053 66.257 1.00 47.10 C ATOM 215 C GLY A 124 33.375 17.829 67.366 1.00 41.23 C ATOM 216 O GLY A 124 34.373 17.388 67.921 1.00 46.38 O ATOM 0 H GLY A 124 31.560 18.010 64.935 1.00 35.53 H new ATOM 0 HA2 GLY A 124 31.851 16.682 66.597 1.00 47.10 H new ATOM 0 HA3 GLY A 124 33.238 16.305 65.991 1.00 47.10 H new ATOM 217 N VAL A 125 32.872 19.024 67.651 1.00 50.94 N ATOM 218 CA VAL A 125 33.321 19.801 68.800 1.00 39.86 C ATOM 219 C VAL A 125 32.102 20.111 69.666 1.00 48.24 C ATOM 220 O VAL A 125 30.961 19.796 69.306 1.00 40.79 O ATOM 221 CB VAL A 125 34.057 21.109 68.385 1.00 47.10 C ATOM 222 CG1 VAL A 125 35.349 20.786 67.553 1.00 32.98 C ATOM 223 CG2 VAL A 125 33.103 22.073 67.660 1.00 31.14 C ATOM 0 H VAL A 125 32.260 19.408 67.184 1.00 50.94 H new ATOM 0 HA VAL A 125 33.969 19.279 69.299 1.00 39.86 H new ATOM 0 HB VAL A 125 34.352 21.567 69.188 1.00 47.10 H new ATOM 0 HG11 VAL A 125 35.790 21.614 67.306 1.00 32.98 H new ATOM 0 HG12 VAL A 125 35.952 20.246 68.088 1.00 32.98 H new ATOM 0 HG13 VAL A 125 35.104 20.299 66.751 1.00 32.98 H new ATOM 0 HG21 VAL A 125 33.583 22.878 67.412 1.00 31.14 H new ATOM 0 HG22 VAL A 125 32.756 21.645 66.862 1.00 31.14 H new ATOM 0 HG23 VAL A 125 32.367 22.304 68.248 1.00 31.14 H new ATOM 224 N ALA A 126 32.339 20.699 70.826 1.00 47.62 N ATOM 225 CA ALA A 126 31.239 21.012 71.711 1.00 44.54 C ATOM 226 C ALA A 126 30.560 22.289 71.254 1.00 44.57 C ATOM 227 O ALA A 126 31.225 23.198 70.743 1.00 42.04 O ATOM 228 CB ALA A 126 31.736 21.125 73.146 1.00 32.59 C ATOM 0 H ALA A 126 33.118 20.922 71.115 1.00 47.62 H new ATOM 0 HA ALA A 126 30.585 20.296 71.681 1.00 44.54 H new ATOM 0 HB1 ALA A 126 30.991 21.335 73.731 1.00 32.59 H new ATOM 0 HB2 ALA A 126 32.133 20.283 73.418 1.00 32.59 H new ATOM 0 HB3 ALA A 126 32.401 21.829 73.204 1.00 32.59 H new ATOM 229 N GLU A 127 29.235 22.317 71.390 1.00 38.55 N ATOM 230 CA GLU A 127 28.457 23.538 71.254 1.00 54.19 C ATOM 231 C GLU A 127 29.140 24.668 71.976 1.00 51.44 C ATOM 232 O GLU A 127 29.655 24.473 73.072 1.00 51.63 O ATOM 233 CB GLU A 127 27.085 23.370 71.878 1.00 48.71 C ATOM 234 CG GLU A 127 25.976 23.110 70.896 1.00 66.43 C ATOM 235 CD GLU A 127 24.735 23.905 71.234 1.00 72.13 C ATOM 236 OE1 GLU A 127 24.825 25.153 71.328 1.00 74.57 O ATOM 237 OE2 GLU A 127 23.673 23.281 71.405 1.00 72.59 O ATOM 0 H GLU A 127 28.762 21.620 71.565 1.00 38.55 H new ATOM 0 HA GLU A 127 28.376 23.730 70.307 1.00 54.19 H new ATOM 0 HB2 GLU A 127 27.119 22.636 72.511 1.00 48.71 H new ATOM 0 HB3 GLU A 127 26.872 24.170 72.383 1.00 48.71 H new ATOM 0 HG2 GLU A 127 26.274 23.339 70.002 1.00 66.43 H new ATOM 0 HG3 GLU A 127 25.763 22.164 70.890 1.00 66.43 H new ATOM 238 N ASP A 128 29.127 25.848 71.360 1.00 47.46 N ATOM 239 CA ASP A 128 29.743 27.058 71.902 1.00 43.11 C ATOM 240 C ASP A 128 31.264 26.971 72.047 1.00 49.50 C ATOM 241 O ASP A 128 31.886 27.921 72.507 1.00 44.90 O ATOM 242 CB ASP A 128 29.116 27.506 73.244 1.00 39.51 C ATOM 243 CG ASP A 128 27.583 27.465 73.237 1.00 62.78 C ATOM 244 OD1 ASP A 128 26.962 28.189 72.436 1.00 69.93 O ATOM 245 OD2 ASP A 128 26.988 26.718 74.046 1.00 74.31 O ATOM 0 H ASP A 128 28.751 25.970 70.597 1.00 47.46 H new ATOM 0 HA ASP A 128 29.553 27.733 71.232 1.00 43.11 H new ATOM 0 HB2 ASP A 128 29.446 26.935 73.955 1.00 39.51 H new ATOM 0 HB3 ASP A 128 29.409 28.408 73.446 1.00 39.51 H new ATOM 246 N SER A 129 31.882 25.853 71.690 1.00 38.09 N ATOM 247 CA SER A 129 33.348 25.855 71.663 1.00 38.79 C ATOM 248 C SER A 129 33.756 26.763 70.492 1.00 51.52 C ATOM 249 O SER A 129 32.945 27.050 69.597 1.00 40.40 O ATOM 250 CB SER A 129 33.923 24.434 71.540 1.00 52.34 C ATOM 251 OG SER A 129 33.657 23.845 70.279 1.00 45.05 O ATOM 0 H SER A 129 31.500 25.115 71.469 1.00 38.09 H new ATOM 0 HA SER A 129 33.713 26.193 72.496 1.00 38.79 H new ATOM 0 HB2 SER A 129 34.882 24.463 71.683 1.00 52.34 H new ATOM 0 HB3 SER A 129 33.549 23.876 72.239 1.00 52.34 H new ATOM 0 HG SER A 129 32.912 23.459 70.302 1.00 45.05 H new ATOM 252 N GLU A 130 34.990 27.237 70.488 1.00 44.62 N ATOM 253 CA GLU A 130 35.352 28.249 69.520 1.00 62.32 C ATOM 254 C GLU A 130 35.862 27.626 68.227 1.00 59.41 C ATOM 255 O GLU A 130 36.628 26.668 68.247 1.00 46.74 O ATOM 256 CB GLU A 130 36.372 29.203 70.113 1.00 49.98 C ATOM 257 CG GLU A 130 36.045 30.704 69.953 1.00 92.12 C ATOM 258 CD GLU A 130 37.100 31.636 70.599 1.00109.01 C ATOM 259 OE1 GLU A 130 38.317 31.325 70.527 1.00114.86 O ATOM 260 OE2 GLU A 130 36.715 32.664 71.209 1.00 81.37 O ATOM 0 H GLU A 130 35.617 26.993 71.023 1.00 44.62 H new ATOM 0 HA GLU A 130 34.555 28.755 69.298 1.00 62.32 H new ATOM 0 HB2 GLU A 130 36.465 29.007 71.058 1.00 49.98 H new ATOM 0 HB3 GLU A 130 37.233 29.029 69.701 1.00 49.98 H new ATOM 0 HG2 GLU A 130 35.973 30.914 69.009 1.00 92.12 H new ATOM 0 HG3 GLU A 130 35.178 30.883 70.350 1.00 92.12 H new ATOM 261 N VAL A 131 35.396 28.158 67.099 1.00 47.87 N ATOM 262 CA VAL A 131 35.853 27.699 65.805 1.00 49.27 C ATOM 263 C VAL A 131 36.172 28.921 64.961 1.00 49.50 C ATOM 264 O VAL A 131 35.766 30.039 65.286 1.00 44.32 O ATOM 265 CB VAL A 131 34.809 26.787 65.118 1.00 45.34 C ATOM 266 CG1 VAL A 131 34.597 25.502 65.949 1.00 42.81 C ATOM 267 CG2 VAL A 131 33.510 27.528 64.941 1.00 36.91 C ATOM 0 H VAL A 131 34.812 28.789 67.069 1.00 47.87 H new ATOM 0 HA VAL A 131 36.650 27.156 65.913 1.00 49.27 H new ATOM 0 HB VAL A 131 35.139 26.534 64.242 1.00 45.34 H new ATOM 0 HG11 VAL A 131 33.941 24.937 65.511 1.00 42.81 H new ATOM 0 HG12 VAL A 131 35.437 25.023 66.024 1.00 42.81 H new ATOM 0 HG13 VAL A 131 34.279 25.738 66.835 1.00 42.81 H new ATOM 0 HG21 VAL A 131 32.863 26.948 64.510 1.00 36.91 H new ATOM 0 HG22 VAL A 131 33.172 27.801 65.808 1.00 36.91 H new ATOM 0 HG23 VAL A 131 33.657 28.313 64.391 1.00 36.91 H new ATOM 268 N HIS A 132 36.927 28.710 63.893 1.00 50.31 N ATOM 269 CA HIS A 132 37.233 29.781 62.974 1.00 46.38 C ATOM 270 C HIS A 132 36.133 29.893 61.944 1.00 53.99 C ATOM 271 O HIS A 132 35.742 28.895 61.357 1.00 52.55 O ATOM 272 CB HIS A 132 38.559 29.499 62.271 1.00 50.27 C ATOM 273 CG HIS A 132 39.752 29.515 63.195 1.00 61.16 C ATOM 274 ND1 HIS A 132 40.408 30.682 63.520 1.00 66.67 N ATOM 275 CD2 HIS A 132 40.382 28.515 63.837 1.00 77.67 C ATOM 276 CE1 HIS A 132 41.412 30.385 64.340 1.00 68.79 C ATOM 277 NE2 HIS A 132 41.424 29.099 64.551 1.00 81.70 N ATOM 0 H HIS A 132 37.271 27.949 63.686 1.00 50.31 H new ATOM 0 HA HIS A 132 37.303 30.613 63.468 1.00 46.38 H new ATOM 0 HB2 HIS A 132 38.508 28.633 61.837 1.00 50.27 H new ATOM 0 HB3 HIS A 132 38.692 30.159 61.573 1.00 50.27 H new ATOM 0 HD2 HIS A 132 40.164 27.611 63.809 1.00 77.67 H new ATOM 0 HE1 HIS A 132 42.010 30.997 64.705 1.00 68.79 H new ATOM 0 HE2 HIS A 132 41.985 28.680 65.050 1.00 81.70 H new ATOM 278 N ARG A 133 35.628 31.102 61.722 1.00 49.99 N ATOM 279 CA ARG A 133 34.724 31.329 60.595 1.00 53.75 C ATOM 280 C ARG A 133 35.334 32.200 59.481 1.00 50.36 C ATOM 281 O ARG A 133 35.658 33.377 59.680 1.00 49.14 O ATOM 282 CB ARG A 133 33.375 31.910 61.041 1.00 40.06 C ATOM 283 CG ARG A 133 32.389 32.096 59.871 1.00 43.76 C ATOM 284 CD ARG A 133 30.987 32.454 60.304 1.00 48.71 C ATOM 285 NE ARG A 133 30.645 33.821 59.940 1.00 62.78 N ATOM 286 CZ ARG A 133 30.360 34.783 60.810 1.00 78.24 C ATOM 287 NH1 ARG A 133 30.056 36.000 60.381 1.00 72.95 N ATOM 288 NH2 ARG A 133 30.368 34.525 62.110 1.00 85.09 N ATOM 0 H ARG A 133 35.792 31.796 62.203 1.00 49.99 H new ATOM 0 HA ARG A 133 34.573 30.448 60.218 1.00 53.75 H new ATOM 0 HB2 ARG A 133 32.978 31.323 61.703 1.00 40.06 H new ATOM 0 HB3 ARG A 133 33.523 32.766 61.473 1.00 40.06 H new ATOM 0 HG2 ARG A 133 32.725 32.792 59.284 1.00 43.76 H new ATOM 0 HG3 ARG A 133 32.359 31.277 59.352 1.00 43.76 H new ATOM 0 HD2 ARG A 133 30.355 31.842 59.895 1.00 48.71 H new ATOM 0 HD3 ARG A 133 30.907 32.345 61.264 1.00 48.71 H new ATOM 0 HE ARG A 133 30.626 34.020 59.103 1.00 62.78 H new ATOM 0 HH11 ARG A 133 30.043 36.168 59.538 1.00 72.95 H new ATOM 0 HH12 ARG A 133 29.872 36.622 60.946 1.00 72.95 H new ATOM 0 HH21 ARG A 133 30.558 33.734 62.390 1.00 85.09 H new ATOM 0 HH22 ARG A 133 30.183 35.148 62.673 1.00 85.09 H new ATOM 289 N ILE A 134 35.464 31.604 58.306 1.00 52.62 N ATOM 290 CA ILE A 134 35.914 32.315 57.118 1.00 56.51 C ATOM 291 C ILE A 134 34.779 32.473 56.106 1.00 53.00 C ATOM 292 O ILE A 134 33.966 31.567 55.903 1.00 46.41 O ATOM 293 CB ILE A 134 37.122 31.613 56.452 1.00 55.03 C ATOM 294 CG1 ILE A 134 38.305 31.579 57.419 1.00 62.23 C ATOM 295 CG2 ILE A 134 37.532 32.348 55.195 1.00 68.56 C ATOM 296 CD1 ILE A 134 39.437 30.718 56.953 1.00 82.98 C ATOM 0 H ILE A 134 35.293 30.772 58.173 1.00 52.62 H new ATOM 0 HA ILE A 134 36.199 33.196 57.408 1.00 56.51 H new ATOM 0 HB ILE A 134 36.861 30.707 56.223 1.00 55.03 H new ATOM 0 HG12 ILE A 134 38.630 32.483 57.552 1.00 62.23 H new ATOM 0 HG13 ILE A 134 37.999 31.258 58.282 1.00 62.23 H new ATOM 0 HG21 ILE A 134 38.289 31.898 54.789 1.00 68.56 H new ATOM 0 HG22 ILE A 134 36.790 32.360 54.570 1.00 68.56 H new ATOM 0 HG23 ILE A 134 37.780 33.259 55.419 1.00 68.56 H new ATOM 0 HD11 ILE A 134 40.152 30.740 57.609 1.00 82.98 H new ATOM 0 HD12 ILE A 134 39.126 29.806 56.844 1.00 82.98 H new ATOM 0 HD13 ILE A 134 39.768 31.050 56.104 1.00 82.98 H new ATOM 297 N GLU A 135 34.717 33.642 55.487 1.00 56.88 N ATOM 298 CA GLU A 135 33.796 33.856 54.385 1.00 52.02 C ATOM 299 C GLU A 135 34.524 34.430 53.157 1.00 61.26 C ATOM 300 O GLU A 135 35.267 35.400 53.265 1.00 51.20 O ATOM 301 CB GLU A 135 32.639 34.743 54.836 1.00 52.19 C ATOM 302 CG GLU A 135 31.817 34.110 55.937 1.00 63.90 C ATOM 303 CD GLU A 135 30.571 34.894 56.278 1.00 67.32 C ATOM 304 OE1 GLU A 135 30.072 34.750 57.416 1.00 93.15 O ATOM 305 OE2 GLU A 135 30.088 35.659 55.419 1.00 63.83 O ATOM 0 H GLU A 135 35.200 34.324 55.690 1.00 56.88 H new ATOM 0 HA GLU A 135 33.426 33.001 54.113 1.00 52.02 H new ATOM 0 HB2 GLU A 135 32.989 35.593 55.146 1.00 52.19 H new ATOM 0 HB3 GLU A 135 32.066 34.932 54.077 1.00 52.19 H new ATOM 0 HG2 GLU A 135 31.564 33.213 55.668 1.00 63.90 H new ATOM 0 HG3 GLU A 135 32.365 34.024 56.733 1.00 63.90 H new ATOM 306 N ARG A 136 34.335 33.795 52.002 1.00 54.37 N ATOM 307 CA ARG A 136 34.939 34.253 50.749 1.00 52.92 C ATOM 308 C ARG A 136 33.903 34.432 49.641 1.00 56.30 C ATOM 309 O ARG A 136 32.955 33.654 49.519 1.00 46.11 O ATOM 310 CB ARG A 136 35.996 33.285 50.209 1.00 50.10 C ATOM 311 CG ARG A 136 37.203 33.044 51.065 1.00 43.79 C ATOM 312 CD ARG A 136 37.248 31.561 51.417 1.00 47.65 C ATOM 313 NE ARG A 136 38.147 30.772 50.584 1.00 65.39 N ATOM 314 CZ ARG A 136 38.067 29.453 50.457 1.00 65.65 C ATOM 315 NH1 ARG A 136 38.922 28.795 49.682 1.00 83.70 N ATOM 316 NH2 ARG A 136 37.112 28.792 51.097 1.00 51.88 N ATOM 0 H ARG A 136 33.854 33.087 51.921 1.00 54.37 H new ATOM 0 HA ARG A 136 35.350 35.102 50.977 1.00 52.92 H new ATOM 0 HB2 ARG A 136 35.567 32.430 50.047 1.00 50.10 H new ATOM 0 HB3 ARG A 136 36.298 33.618 49.350 1.00 50.10 H new ATOM 0 HG2 ARG A 136 38.010 33.305 50.594 1.00 43.79 H new ATOM 0 HG3 ARG A 136 37.159 33.582 51.871 1.00 43.79 H new ATOM 0 HD2 ARG A 136 37.518 31.468 52.344 1.00 47.65 H new ATOM 0 HD3 ARG A 136 36.353 31.195 51.344 1.00 47.65 H new ATOM 0 HE ARG A 136 38.764 31.184 50.150 1.00 65.39 H new ATOM 0 HH11 ARG A 136 39.535 29.224 49.257 1.00 83.70 H new ATOM 0 HH12 ARG A 136 38.863 27.940 49.605 1.00 83.70 H new ATOM 0 HH21 ARG A 136 36.550 29.218 51.590 1.00 51.88 H new ATOM 0 HH22 ARG A 136 37.054 27.937 51.019 1.00 51.88 H new ATOM 317 N LEU A 137 34.107 35.459 48.826 1.00 52.22 N ATOM 318 CA LEU A 137 33.402 35.578 47.559 1.00 59.95 C ATOM 319 C LEU A 137 34.368 35.157 46.441 1.00 65.40 C ATOM 320 O LEU A 137 35.522 35.589 46.409 1.00 52.43 O ATOM 321 CB LEU A 137 32.908 37.007 47.363 1.00 65.20 C ATOM 322 CG LEU A 137 31.996 37.336 46.180 1.00 66.43 C ATOM 323 CD1 LEU A 137 30.613 36.725 46.337 1.00 68.05 C ATOM 324 CD2 LEU A 137 31.886 38.846 46.023 1.00 59.77 C ATOM 0 H LEU A 137 34.654 36.102 48.991 1.00 52.22 H new ATOM 0 HA LEU A 137 32.621 35.003 47.545 1.00 59.95 H new ATOM 0 HB2 LEU A 137 32.439 37.265 48.172 1.00 65.20 H new ATOM 0 HB3 LEU A 137 33.690 37.577 47.294 1.00 65.20 H new ATOM 0 HG LEU A 137 32.393 36.950 45.384 1.00 66.43 H new ATOM 0 HD11 LEU A 137 30.068 36.956 45.569 1.00 68.05 H new ATOM 0 HD12 LEU A 137 30.690 35.760 46.399 1.00 68.05 H new ATOM 0 HD13 LEU A 137 30.197 37.068 47.143 1.00 68.05 H new ATOM 0 HD21 LEU A 137 31.307 39.052 45.272 1.00 59.77 H new ATOM 0 HD22 LEU A 137 31.514 39.229 46.833 1.00 59.77 H new ATOM 0 HD23 LEU A 137 32.767 39.220 45.864 1.00 59.77 H new ATOM 325 N ARG A 138 33.914 34.263 45.567 1.00 52.79 N ATOM 326 CA ARG A 138 34.691 33.874 44.392 1.00 65.76 C ATOM 327 C ARG A 138 34.113 34.554 43.173 1.00 51.76 C ATOM 328 O ARG A 138 32.909 34.476 42.916 1.00 54.36 O ATOM 329 CB ARG A 138 34.644 32.367 44.181 1.00 59.80 C ATOM 330 CG ARG A 138 35.466 31.610 45.172 1.00 64.79 C ATOM 331 CD ARG A 138 36.873 31.333 44.668 1.00 51.83 C ATOM 332 NE ARG A 138 37.263 29.992 45.103 1.00 74.46 N ATOM 333 CZ ARG A 138 38.305 29.715 45.878 1.00 82.58 C ATOM 334 NH1 ARG A 138 39.116 30.687 46.285 1.00 86.36 N ATOM 335 NH2 ARG A 138 38.547 28.456 46.227 1.00 73.35 N ATOM 0 H ARG A 138 33.154 33.867 45.637 1.00 52.79 H new ATOM 0 HA ARG A 138 35.613 34.141 44.530 1.00 65.76 H new ATOM 0 HB2 ARG A 138 33.723 32.067 44.236 1.00 59.80 H new ATOM 0 HB3 ARG A 138 34.956 32.161 43.286 1.00 59.80 H new ATOM 0 HG2 ARG A 138 35.515 32.114 46.000 1.00 64.79 H new ATOM 0 HG3 ARG A 138 35.027 30.769 45.377 1.00 64.79 H new ATOM 0 HD2 ARG A 138 36.904 31.396 43.701 1.00 51.83 H new ATOM 0 HD3 ARG A 138 37.492 31.994 45.015 1.00 51.83 H new ATOM 0 HE ARG A 138 36.780 29.332 44.836 1.00 74.46 H new ATOM 0 HH11 ARG A 138 38.967 31.500 46.046 1.00 86.36 H new ATOM 0 HH12 ARG A 138 39.790 30.503 46.787 1.00 86.36 H new ATOM 0 HH21 ARG A 138 38.030 27.826 45.951 1.00 73.35 H new ATOM 0 HH22 ARG A 138 39.220 28.271 46.729 1.00 73.35 H new ATOM 336 N LEU A 139 34.957 35.237 42.417 1.00 55.93 N ATOM 337 CA LEU A 139 34.459 35.847 41.187 1.00 82.64 C ATOM 338 C LEU A 139 35.164 35.339 39.936 1.00 66.45 C ATOM 339 O LEU A 139 36.351 34.991 39.964 1.00 67.09 O ATOM 340 CB LEU A 139 34.512 37.378 41.248 1.00 74.33 C ATOM 341 CG LEU A 139 34.027 38.030 42.547 1.00 80.69 C ATOM 342 CD1 LEU A 139 35.162 38.034 43.563 1.00 68.91 C ATOM 343 CD2 LEU A 139 33.510 39.449 42.310 1.00 69.56 C ATOM 0 H LEU A 139 35.792 35.359 42.585 1.00 55.93 H new ATOM 0 HA LEU A 139 33.531 35.573 41.120 1.00 82.64 H new ATOM 0 HB2 LEU A 139 35.428 37.656 41.093 1.00 74.33 H new ATOM 0 HB3 LEU A 139 33.981 37.729 40.516 1.00 74.33 H new ATOM 0 HG LEU A 139 33.284 37.511 42.892 1.00 80.69 H new ATOM 0 HD11 LEU A 139 34.858 38.446 44.387 1.00 68.91 H new ATOM 0 HD12 LEU A 139 35.440 37.122 43.742 1.00 68.91 H new ATOM 0 HD13 LEU A 139 35.912 38.536 43.208 1.00 68.91 H new ATOM 0 HD21 LEU A 139 33.212 39.830 43.151 1.00 69.56 H new ATOM 0 HD22 LEU A 139 34.222 39.996 41.942 1.00 69.56 H new ATOM 0 HD23 LEU A 139 32.767 39.423 41.686 1.00 69.56 H new ATOM 344 N THR A 140 34.405 35.292 38.847 1.00 70.08 N ATOM 345 CA THR A 140 34.943 34.992 37.526 1.00 94.37 C ATOM 346 C THR A 140 34.667 36.149 36.586 1.00 88.95 C ATOM 347 O THR A 140 33.503 36.527 36.384 1.00 76.68 O ATOM 348 CB THR A 140 34.305 33.735 36.925 1.00 85.66 C ATOM 349 OG1 THR A 140 32.872 33.813 37.048 1.00 82.59 O ATOM 350 CG2 THR A 140 34.846 32.491 37.629 1.00 66.34 C ATOM 0 H THR A 140 33.557 35.434 38.854 1.00 70.08 H new ATOM 0 HA THR A 140 35.896 34.845 37.630 1.00 94.37 H new ATOM 0 HB THR A 140 34.530 33.674 35.983 1.00 85.66 H new ATOM 0 HG1 THR A 140 32.632 34.617 37.022 1.00 82.59 H new ATOM 0 HG21 THR A 140 34.439 31.699 37.245 1.00 66.34 H new ATOM 0 HG22 THR A 140 35.808 32.447 37.515 1.00 66.34 H new ATOM 0 HG23 THR A 140 34.635 32.536 38.575 1.00 66.34 H new ATOM 351 N HIS A 141 35.736 36.702 36.014 1.00 90.98 N ATOM 352 CA HIS A 141 35.632 37.851 35.121 1.00 98.30 C ATOM 353 C HIS A 141 34.997 39.020 35.861 1.00 99.03 C ATOM 354 O HIS A 141 34.190 39.763 35.301 1.00 94.73 O ATOM 355 CB HIS A 141 34.829 37.497 33.863 1.00 98.02 C ATOM 356 CG HIS A 141 35.396 36.340 33.088 1.00125.81 C ATOM 357 ND1 HIS A 141 36.549 36.446 32.341 1.00115.75 N ATOM 358 CD2 HIS A 141 34.966 35.066 32.951 1.00120.19 C ATOM 359 CE1 HIS A 141 36.808 35.272 31.774 1.00137.48 C ATOM 360 NE2 HIS A 141 35.863 34.423 32.129 1.00134.04 N ATOM 0 H HIS A 141 36.540 36.421 36.134 1.00 90.98 H new ATOM 0 HA HIS A 141 36.523 38.108 34.836 1.00 98.30 H new ATOM 0 HB2 HIS A 141 33.917 37.288 34.119 1.00 98.02 H new ATOM 0 HB3 HIS A 141 34.790 38.275 33.285 1.00 98.02 H new ATOM 0 HD2 HIS A 141 34.207 34.694 33.339 1.00120.19 H new ATOM 0 HE1 HIS A 141 37.532 35.082 31.222 1.00137.48 H new ATOM 0 HE2 HIS A 141 35.815 33.600 31.886 1.00134.04 H new ATOM 361 N GLY A 142 35.361 39.161 37.133 1.00 96.57 N ATOM 362 CA GLY A 142 34.856 40.236 37.965 1.00 88.73 C ATOM 363 C GLY A 142 33.404 40.093 38.392 1.00 88.47 C ATOM 364 O GLY A 142 32.891 40.942 39.124 1.00 96.90 O ATOM 0 H GLY A 142 35.909 38.633 37.534 1.00 96.57 H new ATOM 0 HA2 GLY A 142 35.408 40.297 38.760 1.00 88.73 H new ATOM 0 HA3 GLY A 142 34.957 41.073 37.485 1.00 88.73 H new ATOM 365 N GLU A 143 32.737 39.039 37.928 1.00 86.83 N ATOM 366 CA GLU A 143 31.368 38.757 38.354 1.00 90.67 C ATOM 367 C GLU A 143 31.346 37.694 39.465 1.00 88.92 C ATOM 368 O GLU A 143 32.147 36.755 39.459 1.00 76.51 O ATOM 369 CB GLU A 143 30.520 38.312 37.164 1.00 91.12 C ATOM 370 CG GLU A 143 29.019 38.451 37.384 1.00 99.96 C ATOM 371 CD GLU A 143 28.212 38.030 36.167 1.00118.63 C ATOM 372 OE1 GLU A 143 28.817 37.839 35.086 1.00112.85 O ATOM 373 OE2 GLU A 143 26.972 37.890 36.290 1.00102.04 O ATOM 0 H GLU A 143 33.059 38.474 37.365 1.00 86.83 H new ATOM 0 HA GLU A 143 30.988 39.574 38.714 1.00 90.67 H new ATOM 0 HB2 GLU A 143 30.773 38.833 36.386 1.00 91.12 H new ATOM 0 HB3 GLU A 143 30.723 37.385 36.963 1.00 91.12 H new ATOM 0 HG2 GLU A 143 28.755 37.912 38.146 1.00 99.96 H new ATOM 0 HG3 GLU A 143 28.811 39.373 37.603 1.00 99.96 H new ATOM 374 N PRO A 144 30.434 37.847 40.437 1.00 77.83 N ATOM 375 CA PRO A 144 30.369 36.935 41.583 1.00 79.83 C ATOM 376 C PRO A 144 29.819 35.571 41.190 1.00 81.98 C ATOM 377 O PRO A 144 28.774 35.471 40.548 1.00 79.09 O ATOM 378 CB PRO A 144 29.393 37.635 42.539 1.00 88.15 C ATOM 379 CG PRO A 144 29.299 39.037 42.059 1.00 94.32 C ATOM 380 CD PRO A 144 29.481 38.956 40.575 1.00 91.34 C ATOM 0 HA PRO A 144 31.244 36.768 41.966 1.00 79.83 H new ATOM 0 HB2 PRO A 144 28.524 37.204 42.528 1.00 88.15 H new ATOM 0 HB3 PRO A 144 29.715 37.600 43.453 1.00 88.15 H new ATOM 0 HG2 PRO A 144 28.441 39.429 42.286 1.00 94.32 H new ATOM 0 HG3 PRO A 144 29.981 39.593 42.466 1.00 94.32 H new ATOM 0 HD2 PRO A 144 28.645 38.774 40.117 1.00 91.34 H new ATOM 0 HD3 PRO A 144 29.832 39.782 40.208 1.00 91.34 H new HETATM 381 N MSE A 145 30.529 34.524 41.587 1.00 62.22 N HETATM 382 CA MSE A 145 30.190 33.163 41.189 1.00 66.66 C HETATM 383 C MSE A 145 29.636 32.328 42.346 1.00 69.04 C HETATM 384 O MSE A 145 28.659 31.581 42.198 1.00 57.61 O HETATM 385 CB MSE A 145 31.435 32.485 40.634 1.00 56.96 C HETATM 386 CG MSE A 145 31.202 31.048 40.260 1.00 69.53 C HETATM 387 SE MSE A 145 32.876 30.260 39.720 0.65 84.80 SE HETATM 388 CE MSE A 145 33.421 29.485 41.438 1.00127.09 C HETATM 0 H MSE A 145 31.221 34.581 42.095 1.00 62.22 H new HETATM 0 HA MSE A 145 29.493 33.221 40.517 1.00 66.66 H new HETATM 0 HB2 MSE A 145 31.742 32.972 39.853 1.00 56.96 H new HETATM 0 HB3 MSE A 145 32.144 32.532 41.294 1.00 56.96 H new HETATM 0 HG2 MSE A 145 30.830 30.562 41.013 1.00 69.53 H new HETATM 0 HG3 MSE A 145 30.556 30.990 39.538 1.00 69.53 H new HETATM 0 HE1 MSE A 145 34.275 29.036 41.334 1.00127.09 H new HETATM 0 HE2 MSE A 145 33.505 30.190 42.099 1.00127.09 H new HETATM 0 HE3 MSE A 145 32.753 28.845 41.731 1.00127.09 H new ATOM 389 N ALA A 146 30.268 32.482 43.503 1.00 65.58 N ATOM 390 CA ALA A 146 29.959 31.660 44.658 1.00 68.78 C ATOM 391 C ALA A 146 30.258 32.391 45.957 1.00 61.64 C ATOM 392 O ALA A 146 31.162 33.234 46.017 1.00 55.70 O ATOM 393 CB ALA A 146 30.742 30.368 44.594 1.00 47.58 C ATOM 0 H ALA A 146 30.886 33.065 43.638 1.00 65.58 H new ATOM 0 HA ALA A 146 29.009 31.462 44.642 1.00 68.78 H new ATOM 0 HB1 ALA A 146 30.531 29.823 45.368 1.00 47.58 H new ATOM 0 HB2 ALA A 146 30.506 29.886 43.786 1.00 47.58 H new ATOM 0 HB3 ALA A 146 31.692 30.565 44.587 1.00 47.58 H new ATOM 394 N TYR A 147 29.481 32.057 46.985 1.00 57.08 N ATOM 395 CA TYR A 147 29.712 32.528 48.354 1.00 66.48 C ATOM 396 C TYR A 147 30.120 31.373 49.291 1.00 47.83 C ATOM 397 O TYR A 147 29.337 30.458 49.539 1.00 42.10 O ATOM 398 CB TYR A 147 28.476 33.245 48.902 1.00 58.51 C ATOM 399 CG TYR A 147 28.841 34.147 50.035 1.00 73.90 C ATOM 400 CD1 TYR A 147 29.684 35.224 49.826 1.00 87.51 C ATOM 401 CD2 TYR A 147 28.383 33.907 51.323 1.00 78.86 C ATOM 402 CE1 TYR A 147 30.048 36.053 50.856 1.00 95.47 C ATOM 403 CE2 TYR A 147 28.744 34.734 52.368 1.00 80.50 C ATOM 404 CZ TYR A 147 29.579 35.809 52.125 1.00 89.83 C ATOM 405 OH TYR A 147 29.965 36.660 53.133 1.00 85.35 O ATOM 0 H TYR A 147 28.795 31.544 46.908 1.00 57.08 H new ATOM 0 HA TYR A 147 30.447 33.160 48.321 1.00 66.48 H new ATOM 0 HB2 TYR A 147 28.057 33.761 48.195 1.00 58.51 H new ATOM 0 HB3 TYR A 147 27.824 32.592 49.201 1.00 58.51 H new ATOM 0 HD1 TYR A 147 30.010 35.389 48.971 1.00 87.51 H new ATOM 0 HD2 TYR A 147 27.826 33.180 51.484 1.00 78.86 H new ATOM 0 HE1 TYR A 147 30.610 36.777 50.697 1.00 95.47 H new ATOM 0 HE2 TYR A 147 28.429 34.570 53.227 1.00 80.50 H new ATOM 0 HH TYR A 147 29.618 36.413 53.857 1.00 85.35 H new ATOM 406 N LEU A 148 31.352 31.415 49.792 1.00 44.26 N ATOM 407 CA LEU A 148 31.926 30.304 50.548 1.00 49.09 C ATOM 408 C LEU A 148 32.117 30.590 52.044 1.00 58.14 C ATOM 409 O LEU A 148 33.007 31.352 52.409 1.00 48.27 O ATOM 410 CB LEU A 148 33.289 29.923 49.955 1.00 47.00 C ATOM 411 CG LEU A 148 33.439 29.736 48.440 1.00 53.19 C ATOM 412 CD1 LEU A 148 34.821 29.203 48.096 1.00 36.57 C ATOM 413 CD2 LEU A 148 32.339 28.834 47.885 1.00 47.65 C ATOM 0 H LEU A 148 31.879 32.089 49.703 1.00 44.26 H new ATOM 0 HA LEU A 148 31.284 29.581 50.475 1.00 49.09 H new ATOM 0 HB2 LEU A 148 33.923 30.606 50.226 1.00 47.00 H new ATOM 0 HB3 LEU A 148 33.566 29.095 50.377 1.00 47.00 H new ATOM 0 HG LEU A 148 33.343 30.604 48.018 1.00 53.19 H new ATOM 0 HD11 LEU A 148 34.895 29.092 47.135 1.00 36.57 H new ATOM 0 HD12 LEU A 148 35.495 29.830 48.402 1.00 36.57 H new ATOM 0 HD13 LEU A 148 34.955 28.347 48.531 1.00 36.57 H new ATOM 0 HD21 LEU A 148 32.456 28.732 46.928 1.00 47.65 H new ATOM 0 HD22 LEU A 148 32.388 27.964 48.311 1.00 47.65 H new ATOM 0 HD23 LEU A 148 31.473 29.232 48.064 1.00 47.65 H new ATOM 414 N CYS A 149 31.302 29.971 52.902 1.00 56.82 N ATOM 415 CA CYS A 149 31.517 30.031 54.359 1.00 68.84 C ATOM 416 C CYS A 149 32.191 28.761 54.872 1.00 56.82 C ATOM 417 O CYS A 149 31.672 27.663 54.683 1.00 44.40 O ATOM 418 CB CYS A 149 30.200 30.231 55.129 1.00 67.21 C ATOM 419 SG CYS A 149 29.101 31.516 54.501 1.00 71.87 S ATOM 0 H CYS A 149 30.617 29.509 52.664 1.00 56.82 H new ATOM 0 HA CYS A 149 32.094 30.795 54.515 1.00 68.84 H new ATOM 0 HB2 CYS A 149 29.717 29.390 55.131 1.00 67.21 H new ATOM 0 HB3 CYS A 149 30.414 30.437 56.052 1.00 67.21 H new ATOM 0 HG CYS A 149 28.116 31.569 55.184 1.00 71.87 H new ATOM 420 N ASN A 150 33.333 28.906 55.536 1.00 51.17 N ATOM 421 CA ASN A 150 33.991 27.749 56.151 1.00 46.15 C ATOM 422 C ASN A 150 34.268 27.852 57.652 1.00 52.77 C ATOM 423 O ASN A 150 34.494 28.935 58.194 1.00 43.75 O ATOM 424 CB ASN A 150 35.273 27.354 55.389 1.00 53.08 C ATOM 425 CG ASN A 150 35.007 27.052 53.916 1.00 60.12 C ATOM 426 OD1 ASN A 150 34.828 25.901 53.518 1.00 60.07 O ATOM 427 ND2 ASN A 150 34.945 28.088 53.113 1.00 39.71 N ATOM 0 H ASN A 150 33.742 29.655 55.643 1.00 51.17 H new ATOM 0 HA ASN A 150 33.330 27.044 56.071 1.00 46.15 H new ATOM 0 HB2 ASN A 150 35.921 28.073 55.457 1.00 53.08 H new ATOM 0 HB3 ASN A 150 35.669 26.575 55.810 1.00 53.08 H new ATOM 0 HD21 ASN A 150 34.774 27.975 52.278 1.00 39.71 H new ATOM 0 HD22 ASN A 150 35.075 28.880 53.422 1.00 39.71 H new ATOM 428 N TYR A 151 34.245 26.704 58.318 1.00 46.12 N ATOM 429 CA TYR A 151 34.522 26.642 59.743 1.00 43.33 C ATOM 430 C TYR A 151 35.619 25.655 60.003 1.00 45.10 C ATOM 431 O TYR A 151 35.571 24.530 59.521 1.00 53.59 O ATOM 432 CB TYR A 151 33.272 26.220 60.495 1.00 41.75 C ATOM 433 CG TYR A 151 32.121 27.174 60.285 1.00 49.05 C ATOM 434 CD1 TYR A 151 31.230 26.998 59.228 1.00 57.51 C ATOM 435 CD2 TYR A 151 31.924 28.251 61.142 1.00 49.61 C ATOM 436 CE1 TYR A 151 30.172 27.863 59.035 1.00 49.68 C ATOM 437 CE2 TYR A 151 30.873 29.128 60.953 1.00 60.85 C ATOM 438 CZ TYR A 151 29.997 28.928 59.896 1.00 55.84 C ATOM 439 OH TYR A 151 28.944 29.789 59.697 1.00 57.79 O ATOM 0 H TYR A 151 34.069 25.943 57.957 1.00 46.12 H new ATOM 0 HA TYR A 151 34.799 27.520 60.049 1.00 43.33 H new ATOM 0 HB2 TYR A 151 33.009 25.332 60.206 1.00 41.75 H new ATOM 0 HB3 TYR A 151 33.472 26.163 61.442 1.00 41.75 H new ATOM 0 HD1 TYR A 151 31.350 26.285 58.643 1.00 57.51 H new ATOM 0 HD2 TYR A 151 32.508 28.383 61.853 1.00 49.61 H new ATOM 0 HE1 TYR A 151 29.581 27.729 58.330 1.00 49.68 H new ATOM 0 HE2 TYR A 151 30.754 29.847 61.530 1.00 60.85 H new ATOM 0 HH TYR A 151 28.829 30.255 60.386 1.00 57.79 H new ATOM 440 N LEU A 152 36.626 26.084 60.748 1.00 40.38 N ATOM 441 CA LEU A 152 37.708 25.193 61.125 1.00 43.43 C ATOM 442 C LEU A 152 37.799 25.075 62.644 1.00 49.14 C ATOM 443 O LEU A 152 37.539 26.035 63.369 1.00 44.03 O ATOM 444 CB LEU A 152 39.066 25.640 60.570 1.00 50.28 C ATOM 445 CG LEU A 152 39.313 26.221 59.179 1.00 54.62 C ATOM 446 CD1 LEU A 152 40.527 25.512 58.576 1.00 46.09 C ATOM 447 CD2 LEU A 152 38.118 26.074 58.302 1.00 47.67 C ATOM 0 H LEU A 152 36.701 26.887 61.045 1.00 40.38 H new ATOM 0 HA LEU A 152 37.500 24.329 60.735 1.00 43.43 H new ATOM 0 HB2 LEU A 152 39.401 26.302 61.195 1.00 50.28 H new ATOM 0 HB3 LEU A 152 39.646 24.866 60.639 1.00 50.28 H new ATOM 0 HG LEU A 152 39.485 27.173 59.252 1.00 54.62 H new ATOM 0 HD11 LEU A 152 40.702 25.867 57.690 1.00 46.09 H new ATOM 0 HD12 LEU A 152 41.301 25.659 59.141 1.00 46.09 H new ATOM 0 HD13 LEU A 152 40.348 24.561 58.513 1.00 46.09 H new ATOM 0 HD21 LEU A 152 38.308 26.452 57.429 1.00 47.67 H new ATOM 0 HD22 LEU A 152 37.900 25.134 58.206 1.00 47.67 H new ATOM 0 HD23 LEU A 152 37.366 26.541 58.699 1.00 47.67 H new ATOM 448 N PRO A 153 38.158 23.880 63.128 1.00 59.06 N ATOM 449 CA PRO A 153 38.412 23.714 64.556 1.00 58.43 C ATOM 450 C PRO A 153 39.700 24.440 64.948 1.00 58.91 C ATOM 451 O PRO A 153 40.533 24.725 64.093 1.00 58.39 O ATOM 452 CB PRO A 153 38.560 22.198 64.714 1.00 48.11 C ATOM 453 CG PRO A 153 38.964 21.691 63.382 1.00 54.69 C ATOM 454 CD PRO A 153 38.428 22.653 62.353 1.00 56.11 C ATOM 0 HA PRO A 153 37.714 24.081 65.121 1.00 58.43 H new ATOM 0 HB2 PRO A 153 39.226 21.981 65.385 1.00 48.11 H new ATOM 0 HB3 PRO A 153 37.726 21.795 65.001 1.00 48.11 H new ATOM 0 HG2 PRO A 153 39.930 21.627 63.319 1.00 54.69 H new ATOM 0 HG3 PRO A 153 38.610 20.800 63.234 1.00 54.69 H new ATOM 0 HD2 PRO A 153 39.072 22.813 61.645 1.00 56.11 H new ATOM 0 HD3 PRO A 153 37.623 22.313 61.932 1.00 56.11 H new ATOM 455 N PRO A 154 39.856 24.740 66.243 1.00 67.73 N ATOM 456 CA PRO A 154 41.008 25.502 66.738 1.00 72.07 C ATOM 457 C PRO A 154 42.365 24.847 66.475 1.00 74.01 C ATOM 458 O PRO A 154 42.485 23.621 66.514 1.00 71.13 O ATOM 459 CB PRO A 154 40.769 25.559 68.254 1.00 69.49 C ATOM 460 CG PRO A 154 39.315 25.214 68.466 1.00 50.78 C ATOM 461 CD PRO A 154 38.929 24.342 67.322 1.00 62.86 C ATOM 0 HA PRO A 154 41.059 26.360 66.288 1.00 72.07 H new ATOM 0 HB2 PRO A 154 41.345 24.932 68.719 1.00 69.49 H new ATOM 0 HB3 PRO A 154 40.970 26.441 68.603 1.00 69.49 H new ATOM 0 HG2 PRO A 154 39.187 24.755 69.311 1.00 50.78 H new ATOM 0 HG3 PRO A 154 38.768 26.015 68.492 1.00 50.78 H new ATOM 0 HD2 PRO A 154 39.024 23.402 67.543 1.00 62.86 H new ATOM 0 HD3 PRO A 154 38.004 24.481 67.065 1.00 62.86 H new ATOM 462 N GLY A 155 43.379 25.673 66.231 1.00 76.48 N ATOM 463 CA GLY A 155 44.760 25.220 66.213 1.00 87.97 C ATOM 464 C GLY A 155 45.088 24.220 65.129 1.00 92.56 C ATOM 465 O GLY A 155 45.662 23.163 65.384 1.00 95.28 O ATOM 0 H GLY A 155 43.282 26.512 66.071 1.00 76.48 H new ATOM 0 HA2 GLY A 155 45.338 25.992 66.109 1.00 87.97 H new ATOM 0 HA3 GLY A 155 44.968 24.824 67.074 1.00 87.97 H new ATOM 466 N LEU A 156 44.713 24.564 63.907 1.00102.10 N ATOM 467 CA LEU A 156 44.975 23.723 62.758 1.00 99.66 C ATOM 468 C LEU A 156 45.897 24.488 61.829 1.00116.79 C ATOM 469 O LEU A 156 46.959 24.003 61.438 1.00123.41 O ATOM 470 CB LEU A 156 43.664 23.401 62.031 1.00 98.19 C ATOM 471 CG LEU A 156 42.853 22.167 62.439 1.00 86.26 C ATOM 472 CD1 LEU A 156 41.788 21.876 61.390 1.00 61.03 C ATOM 473 CD2 LEU A 156 43.760 20.973 62.617 1.00 71.80 C ATOM 0 H LEU A 156 44.298 25.294 63.722 1.00102.10 H new ATOM 0 HA LEU A 156 45.383 22.888 63.038 1.00 99.66 H new ATOM 0 HB2 LEU A 156 43.084 24.173 62.124 1.00 98.19 H new ATOM 0 HB3 LEU A 156 43.870 23.313 61.087 1.00 98.19 H new ATOM 0 HG LEU A 156 42.417 22.346 63.287 1.00 86.26 H new ATOM 0 HD11 LEU A 156 41.278 21.094 61.654 1.00 61.03 H new ATOM 0 HD12 LEU A 156 41.193 22.638 61.313 1.00 61.03 H new ATOM 0 HD13 LEU A 156 42.213 21.710 60.534 1.00 61.03 H new ATOM 0 HD21 LEU A 156 43.232 20.201 62.875 1.00 71.80 H new ATOM 0 HD22 LEU A 156 44.218 20.787 61.782 1.00 71.80 H new ATOM 0 HD23 LEU A 156 44.413 21.163 63.308 1.00 71.80 H new ATOM 474 N VAL A 157 45.483 25.707 61.500 1.00118.46 N ATOM 475 CA VAL A 157 46.160 26.514 60.496 1.00116.90 C ATOM 476 C VAL A 157 46.188 27.987 60.896 1.00119.69 C ATOM 477 O VAL A 157 45.400 28.431 61.738 1.00112.03 O ATOM 478 CB VAL A 157 45.449 26.388 59.128 1.00111.14 C ATOM 479 CG1 VAL A 157 46.208 27.135 58.043 1.00102.35 C ATOM 480 CG2 VAL A 157 45.275 24.928 58.749 1.00109.77 C ATOM 0 H VAL A 157 44.799 26.089 61.855 1.00118.46 H new ATOM 0 HA VAL A 157 47.070 26.184 60.428 1.00116.90 H new ATOM 0 HB VAL A 157 44.571 26.792 59.210 1.00111.14 H new ATOM 0 HG11 VAL A 157 45.742 27.040 57.198 1.00102.35 H new ATOM 0 HG12 VAL A 157 46.265 28.075 58.276 1.00102.35 H new ATOM 0 HG13 VAL A 157 47.102 26.768 57.962 1.00102.35 H new ATOM 0 HG21 VAL A 157 44.828 24.867 57.890 1.00109.77 H new ATOM 0 HG22 VAL A 157 46.145 24.503 58.691 1.00109.77 H new ATOM 0 HG23 VAL A 157 44.741 24.480 59.423 1.00109.77 H new ATOM 481 N ASP A 158 47.112 28.731 60.292 1.00123.49 N ATOM 482 CA ASP A 158 47.134 30.183 60.384 1.00126.35 C ATOM 483 C ASP A 158 46.310 30.696 59.217 1.00113.69 C ATOM 484 O ASP A 158 46.634 30.449 58.052 1.00 97.41 O ATOM 485 CB ASP A 158 48.564 30.718 60.297 1.00152.20 C ATOM 486 CG ASP A 158 49.520 29.988 61.226 1.00171.58 C ATOM 487 OD1 ASP A 158 49.871 28.823 60.932 1.00173.40 O ATOM 488 OD2 ASP A 158 49.929 30.586 62.246 1.00161.12 O ATOM 0 H ASP A 158 47.747 28.402 59.814 1.00123.49 H new ATOM 0 HA ASP A 158 46.773 30.480 61.234 1.00126.35 H new ATOM 0 HB2 ASP A 158 48.881 30.637 59.384 1.00152.20 H new ATOM 0 HB3 ASP A 158 48.566 31.663 60.515 1.00152.20 H new ATOM 489 N LEU A 159 45.238 31.407 59.530 1.00114.05 N ATOM 490 CA LEU A 159 44.215 31.681 58.534 1.00109.45 C ATOM 491 C LEU A 159 44.335 33.066 57.906 1.00103.29 C ATOM 492 O LEU A 159 43.384 33.555 57.301 1.00103.89 O ATOM 493 CB LEU A 159 42.819 31.480 59.146 1.00102.42 C ATOM 494 CG LEU A 159 42.546 30.102 59.776 1.00101.87 C ATOM 495 CD1 LEU A 159 43.067 30.003 61.209 1.00 93.56 C ATOM 496 CD2 LEU A 159 41.066 29.775 59.744 1.00 86.24 C ATOM 0 H LEU A 159 45.084 31.738 60.308 1.00114.05 H new ATOM 0 HA LEU A 159 44.350 31.048 57.812 1.00109.45 H new ATOM 0 HB2 LEU A 159 42.683 32.158 59.826 1.00102.42 H new ATOM 0 HB3 LEU A 159 42.157 31.636 58.454 1.00102.42 H new ATOM 0 HG LEU A 159 43.029 29.453 59.240 1.00101.87 H new ATOM 0 HD11 LEU A 159 42.873 29.121 61.564 1.00 93.56 H new ATOM 0 HD12 LEU A 159 44.026 30.151 61.216 1.00 93.56 H new ATOM 0 HD13 LEU A 159 42.633 30.674 61.758 1.00 93.56 H new ATOM 0 HD21 LEU A 159 40.918 28.904 60.145 1.00 86.24 H new ATOM 0 HD22 LEU A 159 40.575 30.447 60.242 1.00 86.24 H new ATOM 0 HD23 LEU A 159 40.757 29.764 58.825 1.00 86.24 H new ATOM 497 N AASP A 160 45.515 33.673 58.022 0.50106.15 N ATOM 498 N BASP A 160 45.498 33.692 58.062 0.50106.17 N ATOM 499 CA AASP A 160 45.774 35.012 57.485 0.50104.55 C ATOM 500 CA BASP A 160 45.654 35.095 57.687 0.50104.29 C ATOM 501 C AASP A 160 44.938 35.358 56.254 0.50102.69 C ATOM 502 C BASP A 160 45.034 35.442 56.329 0.50102.65 C ATOM 503 O AASP A 160 45.041 34.700 55.214 0.50 92.05 O ATOM 504 O BASP A 160 45.365 34.857 55.294 0.50 95.98 O ATOM 505 CB AASP A 160 47.265 35.178 57.162 0.50102.88 C ATOM 506 CB BASP A 160 47.118 35.552 57.790 0.50105.57 C ATOM 507 CG AASP A 160 47.557 36.415 56.320 0.50 98.24 C ATOM 508 CG BASP A 160 47.490 36.022 59.199 0.50 94.81 C ATOM 509 OD1AASP A 160 48.223 36.271 55.275 0.50 96.29 O ATOM 510 OD1BASP A 160 47.132 35.335 60.180 0.50 89.26 O ATOM 511 OD2AASP A 160 47.127 37.528 56.698 0.50 95.24 O ATOM 512 OD2BASP A 160 48.142 37.080 59.327 0.50 85.98 O ATOM 0 H AASP A 160 46.192 33.319 58.416 0.50106.17 H new ATOM 0 H BASP A 160 46.207 33.324 58.382 0.50106.17 H new ATOM 0 HA AASP A 160 45.508 35.633 58.182 0.50104.29 H new ATOM 0 HA BASP A 160 45.143 35.601 58.338 0.50104.29 H new ATOM 0 HB2AASP A 160 47.767 35.231 57.991 0.50105.57 H new ATOM 0 HB2BASP A 160 47.701 34.820 57.532 0.50105.57 H new ATOM 0 HB3AASP A 160 47.578 34.390 56.691 0.50105.57 H new ATOM 0 HB3BASP A 160 47.273 36.273 57.160 0.50105.57 H new ATOM 513 N THR A 161 44.099 36.386 56.377 1.00108.75 N ATOM 514 CA THR A 161 43.424 36.921 55.209 1.00101.63 C ATOM 515 C THR A 161 44.547 37.379 54.303 1.00107.69 C ATOM 516 O THR A 161 45.547 37.918 54.777 1.00116.17 O ATOM 517 CB THR A 161 42.518 38.135 55.570 1.00 89.94 C ATOM 518 OG1 THR A 161 43.102 38.869 56.654 1.00111.82 O ATOM 519 CG2 THR A 161 41.139 37.684 55.992 1.00 80.13 C ATOM 0 H ATHR A 161 43.912 36.779 57.119 0.50108.75 H new ATOM 0 H BTHR A 161 43.835 36.741 57.114 0.50108.75 H new ATOM 0 HA THR A 161 42.844 36.259 54.802 1.00101.63 H new ATOM 0 HB THR A 161 42.443 38.692 54.779 1.00 89.94 H new ATOM 0 HG1 THR A 161 42.612 39.524 56.845 1.00111.82 H new ATOM 0 HG21 THR A 161 40.598 38.459 56.210 1.00 80.13 H new ATOM 0 HG22 THR A 161 40.723 37.193 55.266 1.00 80.13 H new ATOM 0 HG23 THR A 161 41.210 37.110 56.771 1.00 80.13 H new ATOM 520 N GLY A 162 44.410 37.156 53.006 1.00 87.39 N ATOM 521 CA GLY A 162 45.486 37.499 52.097 1.00 90.21 C ATOM 522 C GLY A 162 46.069 36.241 51.495 1.00 87.93 C ATOM 523 O GLY A 162 46.017 36.058 50.281 1.00 92.05 O ATOM 0 H GLY A 162 43.713 36.812 52.637 1.00 87.39 H new ATOM 0 HA2 GLY A 162 45.154 38.080 51.395 1.00 90.21 H new ATOM 0 HA3 GLY A 162 46.176 37.991 52.570 1.00 90.21 H new ATOM 524 N GLN A 163 46.618 35.371 52.339 1.00 77.68 N ATOM 525 CA GLN A 163 46.996 34.043 51.885 1.00 66.05 C ATOM 526 C GLN A 163 45.804 33.421 51.184 1.00 84.58 C ATOM 527 O GLN A 163 45.946 32.703 50.198 1.00 84.18 O ATOM 528 CB GLN A 163 47.398 33.174 53.057 1.00 81.17 C ATOM 529 CG GLN A 163 48.576 33.703 53.801 1.00102.92 C ATOM 530 CD GLN A 163 49.706 32.719 53.796 1.00109.65 C ATOM 531 OE1 GLN A 163 50.007 32.104 54.815 1.00107.19 O ATOM 532 NE2 GLN A 163 50.326 32.537 52.632 1.00105.68 N ATOM 0 H GLN A 163 46.777 35.530 53.169 1.00 77.68 H new ATOM 0 HA GLN A 163 47.752 34.111 51.281 1.00 66.05 H new ATOM 0 HB2 GLN A 163 46.647 33.094 53.666 1.00 81.17 H new ATOM 0 HB3 GLN A 163 47.599 32.281 52.736 1.00 81.17 H new ATOM 0 HG2 GLN A 163 48.868 34.536 53.400 1.00102.92 H new ATOM 0 HG3 GLN A 163 48.321 33.902 54.715 1.00102.92 H new ATOM 0 HE21 GLN A 163 50.084 32.988 51.941 1.00105.68 H new ATOM 0 HE22 GLN A 163 50.968 31.968 52.571 1.00105.68 H new ATOM 533 N LEU A 164 44.624 33.735 51.704 1.00 83.28 N ATOM 534 CA LEU A 164 43.371 33.181 51.224 1.00 82.73 C ATOM 535 C LEU A 164 42.940 33.746 49.876 1.00 80.17 C ATOM 536 O LEU A 164 42.137 33.142 49.167 1.00 85.37 O ATOM 537 CB LEU A 164 42.288 33.421 52.273 1.00 65.32 C ATOM 538 CG LEU A 164 42.249 32.319 53.332 1.00 90.88 C ATOM 539 CD1 LEU A 164 41.620 32.817 54.627 1.00 85.78 C ATOM 540 CD2 LEU A 164 41.532 31.082 52.803 1.00 71.38 C ATOM 0 H LEU A 164 44.530 34.286 52.357 1.00 83.28 H new ATOM 0 HA LEU A 164 43.506 32.231 51.085 1.00 82.73 H new ATOM 0 HB2 LEU A 164 42.443 34.276 52.705 1.00 65.32 H new ATOM 0 HB3 LEU A 164 41.424 33.477 51.836 1.00 65.32 H new ATOM 0 HG LEU A 164 43.164 32.067 53.534 1.00 90.88 H new ATOM 0 HD11 LEU A 164 41.609 32.099 55.279 1.00 85.78 H new ATOM 0 HD12 LEU A 164 42.138 33.560 54.974 1.00 85.78 H new ATOM 0 HD13 LEU A 164 40.712 33.110 54.454 1.00 85.78 H new ATOM 0 HD21 LEU A 164 41.519 30.397 53.490 1.00 71.38 H new ATOM 0 HD22 LEU A 164 40.622 31.314 52.561 1.00 71.38 H new ATOM 0 HD23 LEU A 164 41.999 30.747 52.021 1.00 71.38 H new ATOM 541 N GLU A 165 43.454 34.918 49.537 1.00 88.53 N ATOM 542 CA GLU A 165 43.133 35.516 48.252 1.00 97.05 C ATOM 543 C GLU A 165 44.097 34.994 47.190 1.00 85.29 C ATOM 544 O GLU A 165 43.821 35.064 45.992 1.00 88.39 O ATOM 545 CB GLU A 165 43.142 37.044 48.350 1.00 94.03 C ATOM 546 CG GLU A 165 42.017 37.593 49.236 1.00 84.56 C ATOM 547 CD GLU A 165 42.108 39.094 49.455 1.00 98.96 C ATOM 548 OE1 GLU A 165 41.067 39.791 49.366 1.00 87.92 O ATOM 549 OE2 GLU A 165 43.228 39.576 49.723 1.00105.73 O ATOM 0 H GLU A 165 43.986 35.380 50.031 1.00 88.53 H new ATOM 0 HA GLU A 165 42.235 35.260 47.988 1.00 97.05 H new ATOM 0 HB2 GLU A 165 43.997 37.336 48.703 1.00 94.03 H new ATOM 0 HB3 GLU A 165 43.059 37.421 47.460 1.00 94.03 H new ATOM 0 HG2 GLU A 165 41.161 37.382 48.830 1.00 84.56 H new ATOM 0 HG3 GLU A 165 42.042 37.144 50.096 1.00 84.56 H new ATOM 550 N ALA A 166 45.214 34.438 47.654 1.00 83.60 N ATOM 551 CA ALA A 166 46.218 33.836 46.782 1.00 83.37 C ATOM 552 C ALA A 166 45.868 32.403 46.387 1.00 89.65 C ATOM 553 O ALA A 166 45.770 32.094 45.203 1.00 87.88 O ATOM 554 CB ALA A 166 47.592 33.880 47.442 1.00 82.28 C ATOM 0 H ALA A 166 45.411 34.400 48.490 1.00 83.60 H new ATOM 0 HA ALA A 166 46.235 34.361 45.967 1.00 83.37 H new ATOM 0 HB1 ALA A 166 48.248 33.477 46.852 1.00 82.28 H new ATOM 0 HB2 ALA A 166 47.838 34.802 47.617 1.00 82.28 H new ATOM 0 HB3 ALA A 166 47.565 33.389 48.278 1.00 82.28 H new ATOM 555 N THR A 167 45.672 31.536 47.378 1.00 91.09 N ATOM 556 CA THR A 167 45.477 30.109 47.117 1.00 83.21 C ATOM 557 C THR A 167 44.217 29.511 47.758 1.00 88.20 C ATOM 558 O THR A 167 43.614 30.097 48.660 1.00 86.38 O ATOM 559 CB THR A 167 46.718 29.285 47.554 1.00 89.84 C ATOM 560 OG1 THR A 167 46.770 29.182 48.984 1.00 83.46 O ATOM 561 CG2 THR A 167 47.996 29.950 47.064 1.00105.88 C ATOM 0 H THR A 167 45.648 31.753 48.210 1.00 91.09 H new ATOM 0 HA THR A 167 45.355 30.049 46.157 1.00 83.21 H new ATOM 0 HB THR A 167 46.642 28.400 47.165 1.00 89.84 H new ATOM 0 HG1 THR A 167 47.444 28.733 49.208 1.00 83.46 H new ATOM 0 HG21 THR A 167 48.762 29.425 47.344 1.00105.88 H new ATOM 0 HG22 THR A 167 47.980 30.008 46.096 1.00105.88 H new ATOM 0 HG23 THR A 167 48.061 30.842 47.439 1.00105.88 H new ATOM 562 N GLY A 168 43.830 28.333 47.277 1.00 86.72 N ATOM 563 CA GLY A 168 42.700 27.605 47.832 1.00 68.69 C ATOM 564 C GLY A 168 42.877 27.156 49.275 1.00 73.92 C ATOM 565 O GLY A 168 43.989 27.000 49.786 1.00 66.95 O ATOM 0 H GLY A 168 44.217 27.935 46.620 1.00 86.72 H new ATOM 0 HA2 GLY A 168 41.911 28.166 47.776 1.00 68.69 H new ATOM 0 HA3 GLY A 168 42.533 26.824 47.282 1.00 68.69 H new ATOM 566 N LEU A 169 41.755 26.929 49.938 1.00 55.81 N ATOM 567 CA LEU A 169 41.766 26.578 51.354 1.00 53.29 C ATOM 568 C LEU A 169 42.400 25.213 51.601 1.00 69.28 C ATOM 569 O LEU A 169 43.089 25.024 52.603 1.00 54.13 O ATOM 570 CB LEU A 169 40.340 26.633 51.920 1.00 58.56 C ATOM 571 CG LEU A 169 40.127 26.188 53.367 1.00 59.18 C ATOM 572 CD1 LEU A 169 40.969 27.037 54.310 1.00 55.78 C ATOM 573 CD2 LEU A 169 38.649 26.239 53.753 1.00 54.28 C ATOM 0 H LEU A 169 40.971 26.973 49.587 1.00 55.81 H new ATOM 0 HA LEU A 169 42.315 27.230 51.818 1.00 53.29 H new ATOM 0 HB2 LEU A 169 40.023 27.546 51.840 1.00 58.56 H new ATOM 0 HB3 LEU A 169 39.774 26.085 51.354 1.00 58.56 H new ATOM 0 HG LEU A 169 40.415 25.265 53.445 1.00 59.18 H new ATOM 0 HD11 LEU A 169 40.825 26.745 55.224 1.00 55.78 H new ATOM 0 HD12 LEU A 169 41.907 26.939 54.084 1.00 55.78 H new ATOM 0 HD13 LEU A 169 40.712 27.968 54.224 1.00 55.78 H new ATOM 0 HD21 LEU A 169 38.545 25.952 54.674 1.00 54.28 H new ATOM 0 HD22 LEU A 169 38.321 27.147 53.659 1.00 54.28 H new ATOM 0 HD23 LEU A 169 38.142 25.650 53.172 1.00 54.28 H new ATOM 574 N TYR A 170 42.180 24.268 50.686 1.00 63.06 N ATOM 575 CA TYR A 170 42.778 22.935 50.810 1.00 60.20 C ATOM 576 C TYR A 170 44.299 22.969 50.718 1.00 67.23 C ATOM 577 O TYR A 170 44.984 22.278 51.475 1.00 64.17 O ATOM 578 CB TYR A 170 42.228 21.989 49.746 1.00 49.78 C ATOM 579 CG TYR A 170 40.944 21.318 50.135 1.00 75.52 C ATOM 580 CD1 TYR A 170 40.112 21.865 51.119 1.00 70.61 C ATOM 581 CD2 TYR A 170 40.547 20.144 49.510 1.00 58.85 C ATOM 582 CE1 TYR A 170 38.931 21.243 51.480 1.00 55.98 C ATOM 583 CE2 TYR A 170 39.375 19.519 49.858 1.00 68.23 C ATOM 584 CZ TYR A 170 38.568 20.068 50.837 1.00 80.89 C ATOM 585 OH TYR A 170 37.398 19.418 51.154 1.00 77.55 O ATOM 0 H TYR A 170 41.690 24.377 49.988 1.00 63.06 H new ATOM 0 HA TYR A 170 42.538 22.609 51.691 1.00 60.20 H new ATOM 0 HB2 TYR A 170 42.087 22.486 48.925 1.00 49.78 H new ATOM 0 HB3 TYR A 170 42.893 21.309 49.555 1.00 49.78 H new ATOM 0 HD1 TYR A 170 40.357 22.659 51.536 1.00 70.61 H new ATOM 0 HD2 TYR A 170 41.083 19.775 48.845 1.00 58.85 H new ATOM 0 HE1 TYR A 170 38.389 21.606 52.143 1.00 55.98 H new ATOM 0 HE2 TYR A 170 39.125 18.729 49.436 1.00 68.23 H new ATOM 0 HH TYR A 170 37.217 19.546 51.964 1.00 77.55 H new ATOM 586 N AARG A 171 44.819 23.758 49.776 0.50 68.23 N ATOM 587 N BARG A 171 44.811 23.782 49.801 0.50 68.58 N ATOM 588 CA AARG A 171 46.261 23.887 49.577 0.50 70.39 C ATOM 589 CA BARG A 171 46.243 23.868 49.568 0.50 70.57 C ATOM 590 C AARG A 171 46.900 24.441 50.836 0.50 73.01 C ATOM 591 C BARG A 171 46.959 24.537 50.741 0.50 73.04 C ATOM 592 O AARG A 171 47.921 23.933 51.299 0.50 71.05 O ATOM 593 O BARG A 171 48.098 24.195 51.049 0.50 75.31 O ATOM 594 CB AARG A 171 46.579 24.785 48.370 0.50 79.27 C ATOM 595 CB BARG A 171 46.523 24.579 48.239 0.50 77.29 C ATOM 596 CG AARG A 171 48.073 25.107 48.184 0.50 81.70 C ATOM 597 CG BARG A 171 45.881 23.884 47.032 0.50 77.46 C ATOM 598 CD AARG A 171 48.313 25.984 46.947 0.50 90.04 C ATOM 599 CD BARG A 171 46.658 24.129 45.744 0.50 81.53 C ATOM 600 NE AARG A 171 49.551 26.770 47.016 0.50 94.00 N ATOM 601 NE BARG A 171 48.083 23.853 45.910 0.50 85.85 N ATOM 602 CZ AARG A 171 50.543 26.719 46.125 0.50 90.64 C ATOM 603 CZ BARG A 171 48.977 24.759 46.296 0.50 90.83 C ATOM 604 NH1AARG A 171 51.615 27.484 46.286 0.50 79.96 N ATOM 605 NH1BARG A 171 50.255 24.426 46.425 0.50 88.29 N ATOM 606 NH2AARG A 171 50.469 25.918 45.068 0.50 86.97 N ATOM 607 NH2BARG A 171 48.590 26.003 46.555 0.50 93.43 N ATOM 0 H AARG A 171 44.346 24.232 49.236 0.50 68.58 H new ATOM 0 H BARG A 171 44.339 24.297 49.299 0.50 68.58 H new ATOM 0 HA AARG A 171 46.627 23.008 49.392 0.50 70.57 H new ATOM 0 HA BARG A 171 46.600 22.968 49.503 0.50 70.57 H new ATOM 0 HB2AARG A 171 46.251 24.353 47.566 0.50 77.29 H new ATOM 0 HB2BARG A 171 46.195 25.490 48.292 0.50 77.29 H new ATOM 0 HB3AARG A 171 46.090 25.618 48.464 0.50 77.29 H new ATOM 0 HB3BARG A 171 47.482 24.630 48.103 0.50 77.29 H new ATOM 0 HG2AARG A 171 48.407 25.561 48.973 0.50 77.46 H new ATOM 0 HG2BARG A 171 45.830 22.930 47.200 0.50 77.46 H new ATOM 0 HG3AARG A 171 48.574 24.281 48.098 0.50 77.46 H new ATOM 0 HG3BARG A 171 44.971 24.202 46.924 0.50 77.46 H new ATOM 0 HD2AARG A 171 48.341 25.419 46.159 0.50 81.53 H new ATOM 0 HD2BARG A 171 46.300 23.568 45.038 0.50 81.53 H new ATOM 0 HD3AARG A 171 47.561 26.587 46.837 0.50 81.53 H new ATOM 0 HD3BARG A 171 46.537 25.050 45.463 0.50 81.53 H new ATOM 0 HE AARG A 171 49.644 27.305 47.683 0.50 85.85 H new ATOM 0 HE BARG A 171 48.361 23.055 45.748 0.50 85.85 H new ATOM 0 HH11AARG A 171 51.669 28.011 46.963 0.50 88.29 H new ATOM 0 HH11BARG A 171 50.509 23.621 46.259 0.50 88.29 H new ATOM 0 HH12AARG A 171 52.256 27.453 45.713 0.50 88.29 H new ATOM 0 HH12BARG A 171 50.830 25.015 46.675 0.50 88.29 H new ATOM 0 HH21AARG A 171 49.775 25.423 44.951 0.50 93.43 H new ATOM 0 HH21BARG A 171 47.762 26.222 46.473 0.50 93.43 H new ATOM 0 HH22AARG A 171 51.115 25.894 44.501 0.50 93.43 H new ATOM 0 HH22BARG A 171 49.167 26.590 46.805 0.50 93.43 H new ATOM 608 N LEU A 172 46.281 25.476 51.400 1.00 74.34 N ATOM 609 CA LEU A 172 46.781 26.072 52.639 1.00 70.36 C ATOM 610 C LEU A 172 46.836 25.049 53.763 1.00 62.90 C ATOM 611 O LEU A 172 47.823 24.969 54.493 1.00 64.22 O ATOM 612 CB LEU A 172 45.914 27.255 53.068 1.00 78.30 C ATOM 613 CG LEU A 172 46.399 28.621 52.588 1.00 93.63 C ATOM 614 CD1 LEU A 172 45.418 29.717 52.975 1.00 89.11 C ATOM 615 CD2 LEU A 172 47.767 28.893 53.175 1.00 82.35 C ATOM 0 H ALEU A 172 45.573 25.847 51.083 0.50 74.34 H new ATOM 0 H BLEU A 172 45.521 25.785 51.143 0.50 74.34 H new ATOM 0 HA LEU A 172 47.681 26.387 52.461 1.00 70.36 H new ATOM 0 HB2 LEU A 172 45.012 27.113 52.739 1.00 78.30 H new ATOM 0 HB3 LEU A 172 45.864 27.267 54.037 1.00 78.30 H new ATOM 0 HG LEU A 172 46.458 28.615 51.620 1.00 93.63 H new ATOM 0 HD11 LEU A 172 45.748 30.573 52.660 1.00 89.11 H new ATOM 0 HD12 LEU A 172 44.554 29.536 52.572 1.00 89.11 H new ATOM 0 HD13 LEU A 172 45.325 29.743 53.940 1.00 89.11 H new ATOM 0 HD21 LEU A 172 48.082 29.760 52.874 1.00 82.35 H new ATOM 0 HD22 LEU A 172 47.711 28.888 54.143 1.00 82.35 H new ATOM 0 HD23 LEU A 172 48.387 28.206 52.884 1.00 82.35 H new HETATM 616 N MSE A 173 45.774 24.261 53.899 1.00 56.42 N HETATM 617 CA MSE A 173 45.697 23.289 54.990 1.00 77.08 C HETATM 618 C MSE A 173 46.755 22.207 54.852 1.00 65.69 C HETATM 619 O MSE A 173 47.391 21.809 55.827 1.00 55.02 O HETATM 620 CB MSE A 173 44.306 22.661 55.075 1.00 63.40 C HETATM 621 CG MSE A 173 43.192 23.668 55.361 1.00 65.93 C HETATM 622 SE MSE A 173 41.453 22.844 55.680 0.75 82.47 SE HETATM 623 CE MSE A 173 41.416 21.597 54.185 1.00 87.18 C HETATM 0 H MSE A 173 45.091 24.271 53.376 1.00 56.42 H new HETATM 0 HA MSE A 173 45.867 23.773 55.813 1.00 77.08 H new HETATM 0 HB2 MSE A 173 44.114 22.207 54.240 1.00 63.40 H new HETATM 0 HB3 MSE A 173 44.307 21.986 55.771 1.00 63.40 H new HETATM 0 HG2 MSE A 173 43.437 24.198 56.136 1.00 65.93 H new HETATM 0 HG3 MSE A 173 43.119 24.279 54.611 1.00 65.93 H new HETATM 0 HE1 MSE A 173 40.587 21.094 54.203 1.00 87.18 H new HETATM 0 HE2 MSE A 173 41.477 22.089 53.351 1.00 87.18 H new HETATM 0 HE3 MSE A 173 42.166 20.986 54.255 1.00 87.18 H new ATOM 624 N ARG A 174 46.935 21.720 53.632 1.00 64.72 N ATOM 625 CA ARG A 174 47.970 20.734 53.373 1.00 75.01 C ATOM 626 C ARG A 174 49.318 21.363 53.680 1.00 65.55 C ATOM 627 O ARG A 174 50.193 20.728 54.269 1.00 69.28 O ATOM 628 CB ARG A 174 47.900 20.238 51.925 1.00 62.67 C ATOM 629 CG ARG A 174 46.979 19.026 51.756 1.00 77.22 C ATOM 630 CD ARG A 174 47.007 18.454 50.337 1.00 80.68 C ATOM 631 NE ARG A 174 46.324 19.309 49.364 1.00 87.97 N ATOM 632 CZ ARG A 174 45.188 18.989 48.747 1.00 85.40 C ATOM 633 NH1 ARG A 174 44.601 17.822 48.996 1.00 61.37 N ATOM 634 NH2 ARG A 174 44.643 19.834 47.875 1.00 82.19 N ATOM 0 H ARG A 174 46.471 21.946 52.944 1.00 64.72 H new ATOM 0 HA ARG A 174 47.840 19.959 53.942 1.00 75.01 H new ATOM 0 HB2 ARG A 174 47.587 20.958 51.356 1.00 62.67 H new ATOM 0 HB3 ARG A 174 48.792 20.005 51.624 1.00 62.67 H new ATOM 0 HG2 ARG A 174 47.242 18.335 52.384 1.00 77.22 H new ATOM 0 HG3 ARG A 174 46.070 19.282 51.979 1.00 77.22 H new ATOM 0 HD2 ARG A 174 47.929 18.330 50.061 1.00 80.68 H new ATOM 0 HD3 ARG A 174 46.591 17.578 50.338 1.00 80.68 H new ATOM 0 HE ARG A 174 46.681 20.069 49.178 1.00 87.97 H new ATOM 0 HH11 ARG A 174 44.955 17.273 49.556 1.00 61.37 H new ATOM 0 HH12 ARG A 174 43.867 17.616 48.597 1.00 61.37 H new ATOM 0 HH21 ARG A 174 45.024 20.587 47.710 1.00 82.19 H new ATOM 0 HH22 ARG A 174 43.909 19.627 47.477 1.00 82.19 H new ATOM 635 N ALA A 175 49.455 22.632 53.302 1.00 74.82 N ATOM 636 CA ALA A 175 50.670 23.397 53.552 1.00 65.65 C ATOM 637 C ALA A 175 51.031 23.430 55.036 1.00 61.47 C ATOM 638 O ALA A 175 52.204 23.441 55.399 1.00 81.66 O ATOM 639 CB ALA A 175 50.532 24.806 52.999 1.00 64.74 C ATOM 0 H ALA A 175 48.842 23.074 52.892 1.00 74.82 H new ATOM 0 HA ALA A 175 51.397 22.949 53.091 1.00 65.65 H new ATOM 0 HB1 ALA A 175 51.347 25.303 53.172 1.00 64.74 H new ATOM 0 HB2 ALA A 175 50.376 24.765 52.042 1.00 64.74 H new ATOM 0 HB3 ALA A 175 49.785 25.251 53.429 1.00 64.74 H new ATOM 640 N ALA A 176 50.022 23.446 55.896 1.00 69.87 N ATOM 641 CA ALA A 176 50.263 23.414 57.331 1.00 66.45 C ATOM 642 C ALA A 176 50.391 21.974 57.820 1.00 77.75 C ATOM 643 O ALA A 176 50.434 21.715 59.020 1.00 67.22 O ATOM 644 CB ALA A 176 49.157 24.150 58.079 1.00 62.91 C ATOM 0 H ALA A 176 49.193 23.475 55.670 1.00 69.87 H new ATOM 0 HA ALA A 176 51.100 23.869 57.512 1.00 66.45 H new ATOM 0 HB1 ALA A 176 49.334 24.118 59.032 1.00 62.91 H new ATOM 0 HB2 ALA A 176 49.128 25.074 57.787 1.00 62.91 H new ATOM 0 HB3 ALA A 176 48.304 23.726 57.895 1.00 62.91 H new ATOM 645 N GLY A 177 50.439 21.032 56.885 1.00 74.22 N ATOM 646 CA GLY A 177 50.663 19.642 57.240 1.00 72.37 C ATOM 647 C GLY A 177 49.439 18.878 57.713 1.00 73.27 C ATOM 648 O GLY A 177 49.566 17.847 58.372 1.00 66.56 O ATOM 0 H GLY A 177 50.344 21.179 56.043 1.00 74.22 H new ATOM 0 HA2 GLY A 177 51.032 19.184 56.469 1.00 72.37 H new ATOM 0 HA3 GLY A 177 51.335 19.608 57.939 1.00 72.37 H new ATOM 649 N ILE A 178 48.253 19.385 57.392 1.00 67.94 N ATOM 650 CA ILE A 178 47.035 18.615 57.581 1.00 66.13 C ATOM 651 C ILE A 178 46.930 17.609 56.439 1.00 71.20 C ATOM 652 O ILE A 178 47.221 17.924 55.283 1.00 64.77 O ATOM 653 CB ILE A 178 45.772 19.493 57.543 1.00 75.92 C ATOM 654 CG1 ILE A 178 45.995 20.832 58.250 1.00 66.87 C ATOM 655 CG2 ILE A 178 44.595 18.741 58.135 1.00 69.27 C ATOM 656 CD1 ILE A 178 46.137 20.715 59.713 1.00 68.43 C ATOM 0 H ILE A 178 48.135 20.171 57.064 1.00 67.94 H new ATOM 0 HA ILE A 178 47.085 18.190 58.452 1.00 66.13 H new ATOM 0 HB ILE A 178 45.570 19.695 56.616 1.00 75.92 H new ATOM 0 HG12 ILE A 178 46.792 21.251 57.888 1.00 66.87 H new ATOM 0 HG13 ILE A 178 45.250 21.421 58.052 1.00 66.87 H new ATOM 0 HG21 ILE A 178 43.805 19.303 58.106 1.00 69.27 H new ATOM 0 HG22 ILE A 178 44.436 17.933 57.622 1.00 69.27 H new ATOM 0 HG23 ILE A 178 44.791 18.506 59.055 1.00 69.27 H new ATOM 0 HD11 ILE A 178 46.275 21.595 60.096 1.00 68.43 H new ATOM 0 HD12 ILE A 178 45.332 20.323 60.086 1.00 68.43 H new ATOM 0 HD13 ILE A 178 46.898 20.150 59.920 1.00 68.43 H new ATOM 657 N THR A 179 46.527 16.394 56.774 1.00 61.71 N ATOM 658 CA THR A 179 46.245 15.377 55.779 1.00 50.32 C ATOM 659 C THR A 179 44.748 15.392 55.515 1.00 69.44 C ATOM 660 O THR A 179 43.947 15.352 56.436 1.00 70.71 O ATOM 661 CB THR A 179 46.685 13.999 56.262 1.00 69.90 C ATOM 662 OG1 THR A 179 46.210 13.784 57.606 1.00 78.70 O ATOM 663 CG2 THR A 179 48.212 13.914 56.226 1.00 60.18 C ATOM 0 H THR A 179 46.409 16.136 57.586 1.00 61.71 H new ATOM 0 HA THR A 179 46.738 15.566 54.965 1.00 50.32 H new ATOM 0 HB THR A 179 46.313 13.315 55.683 1.00 69.90 H new ATOM 0 HG1 THR A 179 46.741 13.277 58.013 1.00 78.70 H new ATOM 0 HG21 THR A 179 48.495 13.038 56.533 1.00 60.18 H new ATOM 0 HG22 THR A 179 48.523 14.054 55.318 1.00 60.18 H new ATOM 0 HG23 THR A 179 48.588 14.596 56.805 1.00 60.18 H new ATOM 664 N LEU A 180 44.376 15.493 54.250 1.00 60.41 N ATOM 665 CA LEU A 180 42.977 15.465 53.862 1.00 65.06 C ATOM 666 C LEU A 180 42.714 14.090 53.260 1.00 51.71 C ATOM 667 O LEU A 180 43.293 13.733 52.244 1.00 70.64 O ATOM 668 CB LEU A 180 42.695 16.593 52.866 1.00 53.85 C ATOM 669 CG LEU A 180 43.167 17.942 53.427 1.00 52.92 C ATOM 670 CD1 LEU A 180 43.047 19.065 52.437 1.00 59.13 C ATOM 671 CD2 LEU A 180 42.391 18.276 54.682 1.00 52.44 C ATOM 0 H LEU A 180 44.925 15.579 53.594 1.00 60.41 H new ATOM 0 HA LEU A 180 42.387 15.607 54.619 1.00 65.06 H new ATOM 0 HB2 LEU A 180 43.146 16.410 52.027 1.00 53.85 H new ATOM 0 HB3 LEU A 180 41.745 16.632 52.674 1.00 53.85 H new ATOM 0 HG LEU A 180 44.111 17.848 53.631 1.00 52.92 H new ATOM 0 HD11 LEU A 180 43.358 19.889 52.843 1.00 59.13 H new ATOM 0 HD12 LEU A 180 43.586 18.867 51.656 1.00 59.13 H new ATOM 0 HD13 LEU A 180 42.119 19.165 52.172 1.00 59.13 H new ATOM 0 HD21 LEU A 180 42.693 19.129 55.032 1.00 52.44 H new ATOM 0 HD22 LEU A 180 41.445 18.329 54.473 1.00 52.44 H new ATOM 0 HD23 LEU A 180 42.537 17.584 55.346 1.00 52.44 H new ATOM 672 N HIS A 181 41.874 13.303 53.910 1.00 50.78 N ATOM 673 CA HIS A 181 41.691 11.923 53.503 1.00 45.24 C ATOM 674 C HIS A 181 40.318 11.657 52.859 1.00 48.09 C ATOM 675 O HIS A 181 40.218 10.922 51.881 1.00 47.88 O ATOM 676 CB HIS A 181 41.933 10.996 54.688 1.00 44.74 C ATOM 677 CG HIS A 181 41.990 9.552 54.315 1.00 70.56 C ATOM 678 ND1 HIS A 181 40.946 8.673 54.575 1.00 60.53 N ATOM 679 CD2 HIS A 181 42.943 8.821 53.705 1.00 59.38 C ATOM 680 CE1 HIS A 181 41.267 7.480 54.142 1.00 60.19 C ATOM 681 NE2 HIS A 181 42.478 7.532 53.600 1.00 69.72 N ATOM 0 H HIS A 181 41.402 13.547 54.586 1.00 50.78 H new ATOM 0 HA HIS A 181 42.346 11.739 52.812 1.00 45.24 H new ATOM 0 HB2 HIS A 181 42.766 11.244 55.118 1.00 44.74 H new ATOM 0 HB3 HIS A 181 41.227 11.126 55.340 1.00 44.74 H new ATOM 0 HD2 HIS A 181 43.767 9.133 53.408 1.00 59.38 H new ATOM 0 HE1 HIS A 181 40.734 6.720 54.204 1.00 60.19 H new ATOM 0 HE2 HIS A 181 42.899 6.872 53.244 1.00 69.72 H new ATOM 682 N SER A 182 39.263 12.252 53.410 1.00 42.58 N ATOM 683 CA SER A 182 37.944 12.128 52.816 1.00 40.84 C ATOM 684 C SER A 182 37.101 13.365 53.066 1.00 53.26 C ATOM 685 O SER A 182 37.509 14.301 53.760 1.00 45.79 O ATOM 686 CB SER A 182 37.214 10.880 53.346 1.00 48.38 C ATOM 687 OG SER A 182 37.017 10.941 54.746 1.00 46.34 O ATOM 0 H SER A 182 39.293 12.729 54.125 1.00 42.58 H new ATOM 0 HA SER A 182 38.070 12.034 51.859 1.00 40.84 H new ATOM 0 HB2 SER A 182 36.356 10.794 52.902 1.00 48.38 H new ATOM 0 HB3 SER A 182 37.728 10.087 53.126 1.00 48.38 H new ATOM 0 HG SER A 182 36.616 10.249 55.003 1.00 46.34 H new ATOM 688 N ALA A 183 35.909 13.345 52.494 1.00 44.05 N ATOM 689 CA ALA A 183 34.965 14.425 52.652 1.00 47.17 C ATOM 690 C ALA A 183 33.596 13.852 52.453 1.00 48.98 C ATOM 691 O ALA A 183 33.420 12.915 51.691 1.00 45.63 O ATOM 692 CB ALA A 183 35.203 15.497 51.628 1.00 36.33 C ATOM 0 H ALA A 183 35.627 12.699 52.001 1.00 44.05 H new ATOM 0 HA ALA A 183 35.062 14.822 53.532 1.00 47.17 H new ATOM 0 HB1 ALA A 183 34.559 16.212 51.752 1.00 36.33 H new ATOM 0 HB2 ALA A 183 36.101 15.850 51.731 1.00 36.33 H new ATOM 0 HB3 ALA A 183 35.103 15.123 50.739 1.00 36.33 H new ATOM 693 N AARG A 184 32.630 14.453 53.125 0.50 46.04 N ATOM 694 N BARG A 184 32.611 14.385 53.163 0.50 46.03 N ATOM 695 CA AARG A 184 31.240 14.091 52.990 0.50 49.15 C ATOM 696 CA BARG A 184 31.230 14.007 52.902 0.50 49.19 C ATOM 697 C AARG A 184 30.560 15.280 52.305 0.50 49.56 C ATOM 698 C BARG A 184 30.467 15.225 52.373 0.50 49.76 C ATOM 699 O AARG A 184 30.789 16.422 52.698 0.50 45.52 O ATOM 700 O BARG A 184 30.544 16.316 52.934 0.50 46.19 O ATOM 701 CB AARG A 184 30.675 13.828 54.383 0.50 43.77 C ATOM 702 CB BARG A 184 30.572 13.336 54.121 0.50 42.25 C ATOM 703 CG AARG A 184 29.218 13.503 54.426 0.50 44.39 C ATOM 704 CG BARG A 184 29.958 14.261 55.165 0.50 58.02 C ATOM 705 CD AARG A 184 28.938 12.178 53.775 0.50 51.53 C ATOM 706 CD BARG A 184 30.086 13.656 56.570 0.50 64.28 C ATOM 707 NE AARG A 184 27.533 11.867 53.963 0.50 55.88 N ATOM 708 NE BARG A 184 28.813 13.635 57.284 0.50 54.01 N ATOM 709 CZ AARG A 184 26.571 12.367 53.210 0.50 52.08 C ATOM 710 CZ BARG A 184 28.326 14.646 57.999 0.50 62.04 C ATOM 711 NH1AARG A 184 25.310 12.060 53.463 0.50 42.35 N ATOM 712 NH1BARG A 184 27.152 14.511 58.598 0.50 70.05 N ATOM 713 NH2AARG A 184 26.881 13.174 52.203 0.50 52.64 N ATOM 714 NH2BARG A 184 29.001 15.786 58.120 0.50 45.28 N ATOM 0 H AARG A 184 32.770 15.094 53.681 0.50 46.03 H new ATOM 0 H BARG A 184 32.718 14.960 53.793 0.50 46.03 H new ATOM 0 HA AARG A 184 31.100 13.288 52.465 0.50 49.19 H new ATOM 0 HA BARG A 184 31.204 13.325 52.213 0.50 49.19 H new ATOM 0 HB2AARG A 184 31.168 13.094 54.783 0.50 42.25 H new ATOM 0 HB2BARG A 184 29.878 12.739 53.800 0.50 42.25 H new ATOM 0 HB3AARG A 184 30.834 14.610 54.934 0.50 42.25 H new ATOM 0 HB3BARG A 184 31.239 12.785 54.560 0.50 42.25 H new ATOM 0 HG2AARG A 184 28.915 13.484 55.347 0.50 58.02 H new ATOM 0 HG2BARG A 184 30.399 15.124 55.138 0.50 58.02 H new ATOM 0 HG3AARG A 184 28.715 14.200 53.976 0.50 58.02 H new ATOM 0 HG3BARG A 184 29.023 14.414 54.958 0.50 58.02 H new ATOM 0 HD2AARG A 184 29.153 12.214 52.830 0.50 64.28 H new ATOM 0 HD2BARG A 184 30.430 12.752 56.500 0.50 64.28 H new ATOM 0 HD3AARG A 184 29.493 11.485 54.166 0.50 64.28 H new ATOM 0 HD3BARG A 184 30.733 14.167 57.082 0.50 64.28 H new ATOM 0 HE AARG A 184 27.316 11.329 54.598 0.50 54.01 H new ATOM 0 HE BARG A 184 28.343 12.916 57.239 0.50 54.01 H new ATOM 0 HH11AARG A 184 25.118 11.536 54.117 0.50 70.05 H new ATOM 0 HH11BARG A 184 26.713 13.775 58.523 0.50 70.05 H new ATOM 0 HH12AARG A 184 24.682 12.385 52.974 0.50 70.05 H new ATOM 0 HH12BARG A 184 26.829 15.159 59.062 0.50 70.05 H new ATOM 0 HH21AARG A 184 27.704 13.368 52.045 0.50 45.28 H new ATOM 0 HH21BARG A 184 29.764 15.877 57.733 0.50 45.28 H new ATOM 0 HH22AARG A 184 26.259 13.503 51.709 0.50 45.28 H new ATOM 0 HH22BARG A 184 28.675 16.432 58.585 0.50 45.28 H new ATOM 715 N GLN A 185 29.775 15.027 51.255 1.00 48.65 N ATOM 716 CA GLN A 185 29.141 16.125 50.509 1.00 47.63 C ATOM 717 C GLN A 185 27.659 15.934 50.215 1.00 48.75 C ATOM 718 O GLN A 185 27.208 14.844 49.886 1.00 50.80 O ATOM 719 CB GLN A 185 29.843 16.370 49.170 1.00 46.07 C ATOM 720 CG GLN A 185 31.270 16.806 49.251 1.00 64.08 C ATOM 721 CD GLN A 185 31.685 17.548 48.005 1.00 85.15 C ATOM 722 OE1 GLN A 185 30.841 17.904 47.183 1.00 82.69 O ATOM 723 NE2 GLN A 185 32.985 17.791 47.853 1.00 85.52 N ATOM 0 H AGLN A 185 29.597 14.239 50.960 0.50 48.65 H new ATOM 0 H BGLN A 185 29.657 14.252 50.902 0.50 48.65 H new ATOM 0 HA GLN A 185 29.230 16.884 51.106 1.00 47.63 H new ATOM 0 HB2 GLN A 185 29.802 15.553 48.649 1.00 46.07 H new ATOM 0 HB3 GLN A 185 29.344 17.044 48.682 1.00 46.07 H new ATOM 0 HG2 GLN A 185 31.393 17.376 50.026 1.00 64.08 H new ATOM 0 HG3 GLN A 185 31.841 16.032 49.375 1.00 64.08 H new ATOM 0 HE21 GLN A 185 33.545 17.526 48.450 1.00 85.52 H new ATOM 0 HE22 GLN A 185 33.265 18.213 47.158 1.00 85.52 H new ATOM 724 N SER A 186 26.909 17.021 50.299 1.00 39.24 N ATOM 725 CA SER A 186 25.519 17.018 49.876 1.00 59.85 C ATOM 726 C SER A 186 25.308 18.205 48.960 1.00 57.57 C ATOM 727 O SER A 186 25.711 19.336 49.259 1.00 50.73 O ATOM 728 CB SER A 186 24.585 17.116 51.073 1.00 43.73 C ATOM 729 OG SER A 186 25.094 18.056 51.983 1.00 71.69 O ATOM 0 H SER A 186 27.188 17.776 50.600 1.00 39.24 H new ATOM 0 HA SER A 186 25.321 16.188 49.415 1.00 59.85 H new ATOM 0 HB2 SER A 186 23.697 17.379 50.783 1.00 43.73 H new ATOM 0 HB3 SER A 186 24.499 16.250 51.501 1.00 43.73 H new ATOM 0 HG SER A 186 24.579 18.113 52.644 1.00 71.69 H new ATOM 730 N ILE A 187 24.684 17.959 47.824 1.00 49.21 N ATOM 731 CA ILE A 187 24.454 19.061 46.915 1.00 54.83 C ATOM 732 C ILE A 187 22.961 19.259 46.776 1.00 53.10 C ATOM 733 O ILE A 187 22.210 18.287 46.643 1.00 44.08 O ATOM 734 CB ILE A 187 25.199 18.863 45.571 1.00 47.91 C ATOM 735 CG1 ILE A 187 26.712 18.856 45.848 1.00 53.97 C ATOM 736 CG2 ILE A 187 24.839 19.976 44.607 1.00 39.77 C ATOM 737 CD1 ILE A 187 27.589 18.320 44.743 1.00 49.85 C ATOM 0 H ILE A 187 24.395 17.191 47.567 1.00 49.21 H new ATOM 0 HA ILE A 187 24.829 19.881 47.273 1.00 54.83 H new ATOM 0 HB ILE A 187 24.938 18.021 45.167 1.00 47.91 H new ATOM 0 HG12 ILE A 187 26.990 19.764 46.045 1.00 53.97 H new ATOM 0 HG13 ILE A 187 26.873 18.331 46.647 1.00 53.97 H new ATOM 0 HG21 ILE A 187 25.310 19.844 43.769 1.00 39.77 H new ATOM 0 HG22 ILE A 187 23.883 19.967 44.445 1.00 39.77 H new ATOM 0 HG23 ILE A 187 25.094 20.830 44.989 1.00 39.77 H new ATOM 0 HD11 ILE A 187 28.518 18.360 45.019 1.00 49.85 H new ATOM 0 HD12 ILE A 187 27.347 17.400 44.555 1.00 49.85 H new ATOM 0 HD13 ILE A 187 27.466 18.855 43.944 1.00 49.85 H new ATOM 738 N GLY A 188 22.535 20.516 46.881 1.00 50.75 N ATOM 739 CA GLY A 188 21.123 20.864 46.829 1.00 45.58 C ATOM 740 C GLY A 188 20.847 22.208 46.175 1.00 53.08 C ATOM 741 O GLY A 188 21.735 22.834 45.578 1.00 48.36 O ATOM 0 H GLY A 188 23.059 21.190 46.984 1.00 50.75 H new ATOM 0 HA2 GLY A 188 20.646 20.173 46.343 1.00 45.58 H new ATOM 0 HA3 GLY A 188 20.767 20.874 47.731 1.00 45.58 H new ATOM 742 N ALA A 189 19.600 22.653 46.280 1.00 47.05 N ATOM 743 CA ALA A 189 19.189 23.926 45.682 1.00 64.90 C ATOM 744 C ALA A 189 18.201 24.624 46.603 1.00 67.20 C ATOM 745 O ALA A 189 17.354 23.968 47.217 1.00 54.58 O ATOM 746 CB ALA A 189 18.562 23.708 44.299 1.00 41.37 C ATOM 0 H ALA A 189 18.973 22.234 46.694 1.00 47.05 H new ATOM 0 HA ALA A 189 19.975 24.483 45.569 1.00 64.90 H new ATOM 0 HB1 ALA A 189 18.299 24.563 43.924 1.00 41.37 H new ATOM 0 HB2 ALA A 189 19.209 23.284 43.713 1.00 41.37 H new ATOM 0 HB3 ALA A 189 17.781 23.138 44.384 1.00 41.37 H new ATOM 747 N ARG A 190 18.302 25.950 46.673 1.00 65.06 N ATOM 748 CA ARG A 190 17.465 26.770 47.558 1.00 76.64 C ATOM 749 C ARG A 190 17.052 28.072 46.881 1.00 63.98 C ATOM 750 O ARG A 190 17.749 28.571 45.987 1.00 58.80 O ATOM 751 CB ARG A 190 18.230 27.140 48.840 1.00 56.55 C ATOM 752 CG ARG A 190 17.955 26.270 50.036 1.00 65.07 C ATOM 753 CD ARG A 190 18.199 27.057 51.318 1.00 80.28 C ATOM 754 NE ARG A 190 19.619 27.299 51.580 1.00 59.97 N ATOM 755 CZ ARG A 190 20.243 28.460 51.378 1.00 91.40 C ATOM 756 NH1 ARG A 190 21.541 28.572 51.651 1.00 66.61 N ATOM 757 NH2 ARG A 190 19.577 29.510 50.904 1.00 74.79 N ATOM 0 H ARG A 190 18.862 26.406 46.206 1.00 65.06 H new ATOM 0 HA ARG A 190 16.679 26.241 47.768 1.00 76.64 H new ATOM 0 HB2 ARG A 190 19.181 27.110 48.650 1.00 56.55 H new ATOM 0 HB3 ARG A 190 18.016 28.057 49.072 1.00 56.55 H new ATOM 0 HG2 ARG A 190 17.039 25.953 50.011 1.00 65.07 H new ATOM 0 HG3 ARG A 190 18.527 25.487 50.014 1.00 65.07 H new ATOM 0 HD2 ARG A 190 17.736 27.908 51.262 1.00 80.28 H new ATOM 0 HD3 ARG A 190 17.815 26.574 52.066 1.00 80.28 H new ATOM 0 HE ARG A 190 20.085 26.644 51.887 1.00 59.97 H new ATOM 0 HH11 ARG A 190 21.976 27.896 51.957 1.00 66.61 H new ATOM 0 HH12 ARG A 190 21.945 29.320 51.521 1.00 66.61 H new ATOM 0 HH21 ARG A 190 18.738 29.443 50.726 1.00 74.79 H new ATOM 0 HH22 ARG A 190 19.985 30.256 50.776 1.00 74.79 H new ATOM 758 N ALA A 191 15.934 28.637 47.329 1.00 81.15 N ATOM 759 CA ALA A 191 15.656 30.041 47.052 1.00 87.03 C ATOM 760 C ALA A 191 16.526 30.880 47.984 1.00 72.68 C ATOM 761 O ALA A 191 16.572 30.636 49.187 1.00 69.73 O ATOM 762 CB ALA A 191 14.194 30.363 47.259 1.00 72.67 C ATOM 0 H ALA A 191 15.332 28.231 47.789 1.00 81.15 H new ATOM 0 HA ALA A 191 15.860 30.239 46.125 1.00 87.03 H new ATOM 0 HB1 ALA A 191 14.039 31.301 47.068 1.00 72.67 H new ATOM 0 HB2 ALA A 191 13.655 29.819 46.664 1.00 72.67 H new ATOM 0 HB3 ALA A 191 13.948 30.176 48.178 1.00 72.67 H new ATOM 763 N ALA A 192 17.225 31.854 47.412 1.00 84.65 N ATOM 764 CA ALA A 192 18.140 32.702 48.164 1.00 87.39 C ATOM 765 C ALA A 192 17.388 33.710 49.007 1.00 91.81 C ATOM 766 O ALA A 192 16.450 34.346 48.531 1.00 98.60 O ATOM 767 CB ALA A 192 19.072 33.429 47.217 1.00 81.19 C ATOM 0 H ALA A 192 17.181 32.042 46.574 1.00 84.65 H new ATOM 0 HA ALA A 192 18.655 32.132 48.756 1.00 87.39 H new ATOM 0 HB1 ALA A 192 19.677 33.991 47.726 1.00 81.19 H new ATOM 0 HB2 ALA A 192 19.584 32.782 46.707 1.00 81.19 H new ATOM 0 HB3 ALA A 192 18.552 33.980 46.611 1.00 81.19 H new ATOM 768 N THR A 193 17.805 33.870 50.257 1.00 96.14 N ATOM 769 CA THR A 193 17.258 34.941 51.075 1.00107.60 C ATOM 770 C THR A 193 18.022 36.236 50.797 1.00104.56 C ATOM 771 O THR A 193 19.091 36.211 50.188 1.00 98.95 O ATOM 772 CB THR A 193 17.247 34.583 52.577 1.00105.17 C ATOM 773 OG1 THR A 193 17.334 35.781 53.362 1.00119.29 O ATOM 774 CG2 THR A 193 18.403 33.649 52.918 1.00 88.35 C ATOM 0 H THR A 193 18.394 33.378 50.645 1.00 96.14 H new ATOM 0 HA THR A 193 16.328 35.071 50.830 1.00107.60 H new ATOM 0 HB THR A 193 16.416 34.126 52.780 1.00105.17 H new ATOM 0 HG1 THR A 193 17.326 35.583 54.178 1.00119.29 H new ATOM 0 HG21 THR A 193 18.379 33.436 53.864 1.00 88.35 H new ATOM 0 HG22 THR A 193 18.323 32.832 52.401 1.00 88.35 H new ATOM 0 HG23 THR A 193 19.244 34.084 52.706 1.00 88.35 H new ATOM 775 N SER A 194 17.454 37.360 51.229 1.00108.56 N ATOM 776 CA SER A 194 17.993 38.685 50.921 1.00101.43 C ATOM 777 C SER A 194 19.504 38.771 51.072 1.00 96.28 C ATOM 778 O SER A 194 20.181 39.388 50.246 1.00 83.57 O ATOM 779 CB SER A 194 17.327 39.758 51.792 1.00 95.62 C ATOM 780 OG SER A 194 16.052 40.109 51.286 1.00 99.88 O ATOM 0 H SER A 194 16.742 37.376 51.711 1.00108.56 H new ATOM 0 HA SER A 194 17.790 38.844 49.986 1.00101.43 H new ATOM 0 HB2 SER A 194 17.238 39.431 52.701 1.00 95.62 H new ATOM 0 HB3 SER A 194 17.892 40.546 51.828 1.00 95.62 H new ATOM 0 HG SER A 194 15.707 40.695 51.778 1.00 99.88 H new ATOM 781 N GLY A 195 20.025 38.159 52.132 1.00 93.89 N ATOM 782 CA GLY A 195 21.443 38.230 52.434 1.00 91.73 C ATOM 783 C GLY A 195 22.312 37.712 51.309 1.00 93.50 C ATOM 784 O GLY A 195 23.084 38.467 50.720 1.00 89.31 O ATOM 0 H GLY A 195 19.566 37.694 52.691 1.00 93.89 H new ATOM 0 HA2 GLY A 195 21.683 39.151 52.624 1.00 91.73 H new ATOM 0 HA3 GLY A 195 21.624 37.718 53.238 1.00 91.73 H new ATOM 785 N GLU A 196 22.181 36.424 51.002 1.00 95.26 N ATOM 786 CA GLU A 196 23.011 35.803 49.973 1.00 98.35 C ATOM 787 C GLU A 196 22.645 36.295 48.581 1.00 96.17 C ATOM 788 O GLU A 196 23.506 36.377 47.705 1.00 88.18 O ATOM 789 CB GLU A 196 22.952 34.276 50.054 1.00 95.67 C ATOM 790 CG GLU A 196 21.564 33.712 50.258 1.00 97.95 C ATOM 791 CD GLU A 196 21.597 32.420 51.043 1.00 97.76 C ATOM 792 OE1 GLU A 196 22.707 32.031 51.462 1.00 86.45 O ATOM 793 OE2 GLU A 196 20.526 31.801 51.242 1.00 90.58 O ATOM 0 H GLU A 196 21.618 35.893 51.377 1.00 95.26 H new ATOM 0 HA GLU A 196 23.927 36.072 50.143 1.00 98.35 H new ATOM 0 HB2 GLU A 196 23.322 33.906 49.238 1.00 95.67 H new ATOM 0 HB3 GLU A 196 23.519 33.980 50.783 1.00 95.67 H new ATOM 0 HG2 GLU A 196 21.016 34.361 50.726 1.00 97.95 H new ATOM 0 HG3 GLU A 196 21.147 33.557 49.396 1.00 97.95 H new ATOM 794 N ALA A 197 21.374 36.636 48.382 1.00 94.64 N ATOM 795 CA ALA A 197 20.948 37.255 47.129 1.00 89.38 C ATOM 796 C ALA A 197 21.737 38.545 46.848 1.00 95.66 C ATOM 797 O ALA A 197 22.214 38.757 45.732 1.00 91.08 O ATOM 798 CB ALA A 197 19.450 37.517 47.143 1.00 86.05 C ATOM 0 H ALA A 197 20.745 36.518 48.957 1.00 94.64 H new ATOM 0 HA ALA A 197 21.138 36.635 46.407 1.00 89.38 H new ATOM 0 HB1 ALA A 197 19.185 37.927 46.305 1.00 86.05 H new ATOM 0 HB2 ALA A 197 18.976 36.678 47.256 1.00 86.05 H new ATOM 0 HB3 ALA A 197 19.232 38.112 47.877 1.00 86.05 H new ATOM 799 N GLU A 198 21.893 39.392 47.864 1.00 96.47 N ATOM 800 CA GLU A 198 22.694 40.611 47.726 1.00101.38 C ATOM 801 C GLU A 198 24.176 40.326 47.449 1.00104.97 C ATOM 802 O GLU A 198 24.741 40.821 46.469 1.00 93.48 O ATOM 803 CB GLU A 198 22.550 41.508 48.962 1.00116.15 C ATOM 804 CG GLU A 198 21.390 42.495 48.885 1.00141.83 C ATOM 805 CD GLU A 198 21.470 43.587 49.943 1.00165.04 C ATOM 806 OE1 GLU A 198 22.035 43.324 51.029 1.00149.17 O ATOM 807 OE2 GLU A 198 20.967 44.708 49.685 1.00136.39 O ATOM 0 H GLU A 198 21.544 39.280 48.642 1.00 96.47 H new ATOM 0 HA GLU A 198 22.344 41.077 46.951 1.00101.38 H new ATOM 0 HB2 GLU A 198 22.433 40.947 49.745 1.00116.15 H new ATOM 0 HB3 GLU A 198 23.375 42.003 49.088 1.00116.15 H new ATOM 0 HG2 GLU A 198 21.377 42.904 48.005 1.00141.83 H new ATOM 0 HG3 GLU A 198 20.554 42.013 48.986 1.00141.83 H new ATOM 808 N ARG A 199 24.793 39.522 48.313 1.00110.18 N ATOM 809 CA ARG A 199 26.221 39.207 48.217 1.00103.31 C ATOM 810 C ARG A 199 26.635 38.766 46.816 1.00104.11 C ATOM 811 O ARG A 199 27.777 38.980 46.399 1.00105.88 O ATOM 812 CB ARG A 199 26.601 38.112 49.226 1.00110.31 C ATOM 813 CG ARG A 199 26.132 38.361 50.658 1.00113.33 C ATOM 814 CD ARG A 199 26.319 37.120 51.534 1.00112.03 C ATOM 815 NE ARG A 199 25.492 37.168 52.740 1.00131.49 N ATOM 816 CZ ARG A 199 25.325 36.147 53.576 1.00129.83 C ATOM 817 NH1 ARG A 199 25.931 34.990 53.337 1.00123.31 N ATOM 818 NH2 ARG A 199 24.549 36.279 54.646 1.00104.77 N ATOM 0 H ARG A 199 24.395 39.142 48.974 1.00110.18 H new ATOM 0 HA ARG A 199 26.696 40.027 48.421 1.00103.31 H new ATOM 0 HB2 ARG A 199 26.232 37.268 48.921 1.00110.31 H new ATOM 0 HB3 ARG A 199 27.566 38.015 49.229 1.00110.31 H new ATOM 0 HG2 ARG A 199 26.627 39.104 51.037 1.00113.33 H new ATOM 0 HG3 ARG A 199 25.196 38.617 50.653 1.00113.33 H new ATOM 0 HD2 ARG A 199 26.096 36.327 51.022 1.00112.03 H new ATOM 0 HD3 ARG A 199 27.252 37.041 51.786 1.00112.03 H new ATOM 0 HE ARG A 199 25.087 37.905 52.920 1.00131.49 H new ATOM 0 HH11 ARG A 199 26.431 34.902 52.643 1.00123.31 H new ATOM 0 HH12 ARG A 199 25.824 34.329 53.877 1.00123.31 H new ATOM 0 HH21 ARG A 199 24.153 37.026 54.800 1.00104.77 H new ATOM 0 HH22 ARG A 199 24.443 35.617 55.185 1.00104.77 H new ATOM 819 N LEU A 200 25.701 38.153 46.093 1.00100.53 N ATOM 820 CA LEU A 200 26.011 37.522 44.813 1.00 92.86 C ATOM 821 C LEU A 200 25.509 38.312 43.599 1.00101.77 C ATOM 822 O LEU A 200 25.946 38.063 42.478 1.00 90.58 O ATOM 823 CB LEU A 200 25.482 36.079 44.785 1.00 81.43 C ATOM 824 CG LEU A 200 26.237 35.007 45.586 1.00 61.81 C ATOM 825 CD1 LEU A 200 25.454 33.690 45.642 1.00 45.39 C ATOM 826 CD2 LEU A 200 27.647 34.790 45.030 1.00 63.00 C ATOM 0 H LEU A 200 24.876 38.091 46.328 1.00100.53 H new ATOM 0 HA LEU A 200 26.978 37.512 44.740 1.00 92.86 H new ATOM 0 HB2 LEU A 200 24.566 36.094 45.103 1.00 81.43 H new ATOM 0 HB3 LEU A 200 25.456 35.792 43.859 1.00 81.43 H new ATOM 0 HG LEU A 200 26.324 35.332 46.496 1.00 61.81 H new ATOM 0 HD11 LEU A 200 25.956 33.036 46.153 1.00 45.39 H new ATOM 0 HD12 LEU A 200 24.595 33.842 46.067 1.00 45.39 H new ATOM 0 HD13 LEU A 200 25.314 33.358 44.741 1.00 45.39 H new ATOM 0 HD21 LEU A 200 28.100 34.110 45.553 1.00 63.00 H new ATOM 0 HD22 LEU A 200 27.590 34.502 44.106 1.00 63.00 H new ATOM 0 HD23 LEU A 200 28.146 35.621 45.079 1.00 63.00 H new ATOM 827 N GLY A 201 24.601 39.259 43.823 1.00109.23 N ATOM 828 CA GLY A 201 24.076 40.092 42.750 1.00 97.54 C ATOM 829 C GLY A 201 22.798 39.527 42.161 1.00 89.86 C ATOM 830 O GLY A 201 22.578 39.568 40.947 1.00 96.70 O ATOM 0 H GLY A 201 24.274 39.435 44.599 1.00109.23 H new ATOM 0 HA2 GLY A 201 23.907 40.985 43.089 1.00 97.54 H new ATOM 0 HA3 GLY A 201 24.743 40.175 42.051 1.00 97.54 H new ATOM 831 N GLU A 202 21.948 39.001 43.033 1.00 85.82 N ATOM 832 CA GLU A 202 20.753 38.288 42.606 1.00 86.29 C ATOM 833 C GLU A 202 19.538 38.695 43.440 1.00 84.54 C ATOM 834 O GLU A 202 19.671 39.126 44.590 1.00 81.16 O ATOM 835 CB GLU A 202 20.986 36.784 42.744 1.00 88.05 C ATOM 836 CG GLU A 202 20.217 35.925 41.754 1.00 97.62 C ATOM 837 CD GLU A 202 21.115 35.271 40.716 1.00 93.78 C ATOM 838 OE1 GLU A 202 20.869 34.085 40.403 1.00 89.89 O ATOM 839 OE2 GLU A 202 22.065 35.927 40.229 1.00 89.03 O ATOM 0 H GLU A 202 22.047 39.047 43.886 1.00 85.82 H new ATOM 0 HA GLU A 202 20.575 38.515 41.680 1.00 86.29 H new ATOM 0 HB2 GLU A 202 21.934 36.606 42.639 1.00 88.05 H new ATOM 0 HB3 GLU A 202 20.744 36.513 43.644 1.00 88.05 H new ATOM 0 HG2 GLU A 202 19.734 35.236 42.237 1.00 97.62 H new ATOM 0 HG3 GLU A 202 19.555 36.473 41.303 1.00 97.62 H new ATOM 840 N ASP A 203 18.350 38.547 42.865 1.00 90.57 N ATOM 841 CA ASP A 203 17.117 38.887 43.576 1.00 93.19 C ATOM 842 C ASP A 203 16.782 37.854 44.636 1.00 81.06 C ATOM 843 O ASP A 203 16.928 36.655 44.413 1.00 83.38 O ATOM 844 CB ASP A 203 15.939 38.993 42.610 1.00 87.97 C ATOM 845 CG ASP A 203 16.235 39.890 41.431 1.00 94.57 C ATOM 846 OD1 ASP A 203 17.127 40.759 41.542 1.00101.10 O ATOM 847 OD2 ASP A 203 15.575 39.724 40.388 1.00 92.42 O ATOM 0 H ASP A 203 18.233 38.252 42.066 1.00 90.57 H new ATOM 0 HA ASP A 203 17.269 39.745 44.003 1.00 93.19 H new ATOM 0 HB2 ASP A 203 15.708 38.108 42.289 1.00 87.97 H new ATOM 0 HB3 ASP A 203 15.165 39.333 43.085 1.00 87.97 H new ATOM 848 N ALA A 204 16.320 38.323 45.789 1.00 89.68 N ATOM 849 CA ALA A 204 15.866 37.422 46.839 1.00 89.44 C ATOM 850 C ALA A 204 14.809 36.465 46.282 1.00 85.87 C ATOM 851 O ALA A 204 13.824 36.900 45.679 1.00 92.12 O ATOM 852 CB ALA A 204 15.317 38.214 48.014 1.00 90.77 C ATOM 0 H ALA A 204 16.261 39.159 45.983 1.00 89.68 H new ATOM 0 HA ALA A 204 16.619 36.898 47.156 1.00 89.44 H new ATOM 0 HB1 ALA A 204 15.018 37.603 48.705 1.00 90.77 H new ATOM 0 HB2 ALA A 204 16.012 38.789 48.370 1.00 90.77 H new ATOM 0 HB3 ALA A 204 14.569 38.756 47.718 1.00 90.77 H new ATOM 853 N GLY A 205 15.032 35.166 46.470 1.00 77.58 N ATOM 854 CA GLY A 205 14.121 34.143 45.978 1.00 83.45 C ATOM 855 C GLY A 205 14.648 33.409 44.756 1.00 84.72 C ATOM 856 O GLY A 205 14.164 32.326 44.409 1.00 73.09 O ATOM 0 H GLY A 205 15.717 34.856 46.887 1.00 77.58 H new ATOM 0 HA2 GLY A 205 13.952 33.501 46.686 1.00 83.45 H new ATOM 0 HA3 GLY A 205 13.270 34.554 45.759 1.00 83.45 H new ATOM 857 N ALA A 206 15.639 34.005 44.096 1.00 87.13 N ATOM 858 CA ALA A 206 16.224 33.412 42.901 1.00 83.04 C ATOM 859 C ALA A 206 16.984 32.152 43.281 1.00 86.00 C ATOM 860 O ALA A 206 17.752 32.152 44.244 1.00 78.11 O ATOM 861 CB ALA A 206 17.141 34.408 42.195 1.00 82.98 C ATOM 0 H ALA A 206 15.987 34.757 44.327 1.00 87.13 H new ATOM 0 HA ALA A 206 15.514 33.178 42.283 1.00 83.04 H new ATOM 0 HB1 ALA A 206 17.520 33.995 41.403 1.00 82.98 H new ATOM 0 HB2 ALA A 206 16.631 35.192 41.937 1.00 82.98 H new ATOM 0 HB3 ALA A 206 17.856 34.671 42.795 1.00 82.98 H new ATOM 862 N PRO A 207 16.765 31.070 42.524 1.00 78.66 N ATOM 863 CA PRO A 207 17.352 29.756 42.787 1.00 72.67 C ATOM 864 C PRO A 207 18.871 29.830 42.948 1.00 78.80 C ATOM 865 O PRO A 207 19.554 30.451 42.129 1.00 62.12 O ATOM 866 CB PRO A 207 16.998 28.972 41.520 1.00 80.09 C ATOM 867 CG PRO A 207 16.792 30.038 40.485 1.00 79.53 C ATOM 868 CD PRO A 207 16.038 31.067 41.248 1.00 83.95 C ATOM 0 HA PRO A 207 17.023 29.360 43.609 1.00 72.67 H new ATOM 0 HB2 PRO A 207 17.710 28.363 41.267 1.00 80.09 H new ATOM 0 HB3 PRO A 207 16.198 28.437 41.644 1.00 80.09 H new ATOM 0 HG2 PRO A 207 17.633 30.382 40.145 1.00 79.53 H new ATOM 0 HG3 PRO A 207 16.290 29.711 39.722 1.00 79.53 H new ATOM 0 HD2 PRO A 207 16.059 31.934 40.813 1.00 83.95 H new ATOM 0 HD3 PRO A 207 15.104 30.829 41.360 1.00 83.95 H new ATOM 869 N LEU A 208 19.393 29.205 44.000 1.00 79.50 N ATOM 870 CA LEU A 208 20.837 29.094 44.166 1.00 69.82 C ATOM 871 C LEU A 208 21.246 27.636 44.257 1.00 55.72 C ATOM 872 O LEU A 208 20.479 26.788 44.733 1.00 61.78 O ATOM 873 CB LEU A 208 21.310 29.829 45.419 1.00 68.93 C ATOM 874 CG LEU A 208 21.324 31.358 45.491 1.00 82.74 C ATOM 875 CD1 LEU A 208 22.140 31.777 46.705 1.00100.71 C ATOM 876 CD2 LEU A 208 21.881 32.010 44.239 1.00 78.81 C ATOM 0 H LEU A 208 18.930 28.840 44.626 1.00 79.50 H new ATOM 0 HA LEU A 208 21.253 29.503 43.391 1.00 69.82 H new ATOM 0 HB2 LEU A 208 20.759 29.517 46.154 1.00 68.93 H new ATOM 0 HB3 LEU A 208 22.216 29.530 45.597 1.00 68.93 H new ATOM 0 HG LEU A 208 20.405 31.660 45.567 1.00 82.74 H new ATOM 0 HD11 LEU A 208 22.158 32.745 46.764 1.00100.71 H new ATOM 0 HD12 LEU A 208 21.737 31.412 47.508 1.00100.71 H new ATOM 0 HD13 LEU A 208 23.046 31.442 46.618 1.00100.71 H new ATOM 0 HD21 LEU A 208 21.865 32.974 44.342 1.00 78.81 H new ATOM 0 HD22 LEU A 208 22.794 31.715 44.099 1.00 78.81 H new ATOM 0 HD23 LEU A 208 21.340 31.758 43.474 1.00 78.81 H new ATOM 877 N LEU A 209 22.459 27.346 43.804 1.00 55.56 N ATOM 878 CA LEU A 209 23.010 26.012 43.960 1.00 60.81 C ATOM 879 C LEU A 209 23.672 25.986 45.328 1.00 54.66 C ATOM 880 O LEU A 209 24.419 26.894 45.684 1.00 52.90 O ATOM 881 CB LEU A 209 24.019 25.719 42.848 1.00 57.98 C ATOM 882 CG LEU A 209 24.511 24.286 42.580 1.00 55.49 C ATOM 883 CD1 LEU A 209 23.359 23.295 42.435 1.00 54.76 C ATOM 884 CD2 LEU A 209 25.378 24.277 41.333 1.00 51.96 C ATOM 0 H LEU A 209 22.976 27.906 43.405 1.00 55.56 H new ATOM 0 HA LEU A 209 22.323 25.330 43.897 1.00 60.81 H new ATOM 0 HB2 LEU A 209 23.632 26.046 42.021 1.00 57.98 H new ATOM 0 HB3 LEU A 209 24.804 26.260 43.027 1.00 57.98 H new ATOM 0 HG LEU A 209 25.032 24.000 43.347 1.00 55.49 H new ATOM 0 HD11 LEU A 209 23.714 22.408 42.268 1.00 54.76 H new ATOM 0 HD12 LEU A 209 22.836 23.285 43.252 1.00 54.76 H new ATOM 0 HD13 LEU A 209 22.794 23.562 41.693 1.00 54.76 H new ATOM 0 HD21 LEU A 209 25.690 23.375 41.162 1.00 51.96 H new ATOM 0 HD22 LEU A 209 24.859 24.589 40.575 1.00 51.96 H new ATOM 0 HD23 LEU A 209 26.140 24.862 41.464 1.00 51.96 H new ATOM 885 N THR A 210 23.372 24.971 46.118 1.00 49.38 N ATOM 886 CA THR A 210 23.990 24.892 47.427 1.00 68.94 C ATOM 887 C THR A 210 24.816 23.631 47.590 1.00 58.78 C ATOM 888 O THR A 210 24.518 22.584 47.012 1.00 51.54 O ATOM 889 CB THR A 210 22.955 24.934 48.564 1.00 54.60 C ATOM 890 OG1 THR A 210 22.212 23.710 48.570 1.00 55.13 O ATOM 891 CG2 THR A 210 22.016 26.137 48.423 1.00 55.62 C ATOM 0 H THR A 210 22.829 24.333 45.924 1.00 49.38 H new ATOM 0 HA THR A 210 24.566 25.671 47.485 1.00 68.94 H new ATOM 0 HB THR A 210 23.423 25.033 49.408 1.00 54.60 H new ATOM 0 HG1 THR A 210 21.646 23.728 49.191 1.00 55.13 H new ATOM 0 HG21 THR A 210 21.377 26.136 49.152 1.00 55.62 H new ATOM 0 HG22 THR A 210 22.534 26.957 48.449 1.00 55.62 H new ATOM 0 HG23 THR A 210 21.542 26.081 47.578 1.00 55.62 H new HETATM 892 N MSE A 211 25.856 23.735 48.398 1.00 53.93 N HETATM 893 CA MSE A 211 26.549 22.541 48.814 1.00 52.49 C HETATM 894 C MSE A 211 27.132 22.626 50.238 1.00 56.91 C HETATM 895 O MSE A 211 27.555 23.686 50.721 1.00 45.84 O HETATM 896 CB MSE A 211 27.577 22.164 47.762 1.00 51.83 C HETATM 897 CG MSE A 211 28.973 22.596 48.037 1.00 73.39 C HETATM 898 SE MSE A 211 30.071 21.035 48.371 0.85 90.73 SE HETATM 899 CE MSE A 211 31.819 21.861 48.091 1.00 64.37 C HETATM 0 H MSE A 211 26.169 24.473 48.710 1.00 53.93 H new HETATM 0 HA MSE A 211 25.900 21.823 48.879 1.00 52.49 H new HETATM 0 HB2 MSE A 211 27.569 21.200 47.658 1.00 51.83 H new HETATM 0 HB3 MSE A 211 27.300 22.543 46.913 1.00 51.83 H new HETATM 0 HG2 MSE A 211 29.323 23.095 47.282 1.00 73.39 H new HETATM 0 HG3 MSE A 211 28.994 23.189 48.804 1.00 73.39 H new HETATM 0 HE1 MSE A 211 32.515 21.198 48.223 1.00 64.37 H new HETATM 0 HE2 MSE A 211 31.871 22.209 47.187 1.00 64.37 H new HETATM 0 HE3 MSE A 211 31.940 22.586 48.724 1.00 64.37 H new ATOM 900 N GLU A 212 27.089 21.498 50.928 1.00 54.11 N ATOM 901 CA GLU A 212 27.659 21.393 52.264 1.00 60.67 C ATOM 902 C GLU A 212 28.691 20.286 52.247 1.00 48.32 C ATOM 903 O GLU A 212 28.467 19.233 51.656 1.00 45.20 O ATOM 904 CB GLU A 212 26.581 21.087 53.299 1.00 52.67 C ATOM 905 CG GLU A 212 25.762 22.282 53.750 1.00 59.92 C ATOM 906 CD GLU A 212 24.645 21.876 54.698 1.00 72.70 C ATOM 907 OE1 GLU A 212 24.805 20.861 55.412 1.00 74.15 O ATOM 908 OE2 GLU A 212 23.600 22.559 54.719 1.00 89.50 O ATOM 0 H GLU A 212 26.730 20.772 50.638 1.00 54.11 H new ATOM 0 HA GLU A 212 28.068 22.238 52.510 1.00 60.67 H new ATOM 0 HB2 GLU A 212 25.979 20.421 52.931 1.00 52.67 H new ATOM 0 HB3 GLU A 212 27.003 20.690 54.077 1.00 52.67 H new ATOM 0 HG2 GLU A 212 26.342 22.924 54.189 1.00 59.92 H new ATOM 0 HG3 GLU A 212 25.383 22.726 52.975 1.00 59.92 H new ATOM 909 N ARG A 213 29.830 20.532 52.880 1.00 45.73 N ATOM 910 CA ARG A 213 30.901 19.558 52.866 1.00 51.50 C ATOM 911 C ARG A 213 31.591 19.467 54.229 1.00 53.97 C ATOM 912 O ARG A 213 31.833 20.489 54.874 1.00 47.38 O ATOM 913 CB ARG A 213 31.898 19.946 51.771 1.00 41.67 C ATOM 914 CG ARG A 213 33.207 19.190 51.770 1.00 54.48 C ATOM 915 CD ARG A 213 34.213 19.882 50.869 1.00 61.78 C ATOM 916 NE ARG A 213 34.589 21.230 51.325 1.00 78.91 N ATOM 917 CZ ARG A 213 35.151 22.154 50.543 1.00 82.88 C ATOM 918 NH1 ARG A 213 35.468 23.353 51.029 1.00 58.25 N ATOM 919 NH2 ARG A 213 35.396 21.886 49.264 1.00 76.62 N ATOM 0 H ARG A 213 29.999 21.252 53.319 1.00 45.73 H new ATOM 0 HA ARG A 213 30.534 18.680 52.679 1.00 51.50 H new ATOM 0 HB2 ARG A 213 31.471 19.819 50.909 1.00 41.67 H new ATOM 0 HB3 ARG A 213 32.092 20.893 51.855 1.00 41.67 H new ATOM 0 HG2 ARG A 213 33.557 19.135 52.673 1.00 54.48 H new ATOM 0 HG3 ARG A 213 33.062 18.280 51.465 1.00 54.48 H new ATOM 0 HD2 ARG A 213 35.012 19.335 50.810 1.00 61.78 H new ATOM 0 HD3 ARG A 213 33.844 19.943 49.974 1.00 61.78 H new ATOM 0 HE ARG A 213 34.437 21.435 52.146 1.00 78.91 H new ATOM 0 HH11 ARG A 213 35.311 23.538 51.854 1.00 58.25 H new ATOM 0 HH12 ARG A 213 35.830 23.942 50.518 1.00 58.25 H new ATOM 0 HH21 ARG A 213 35.192 21.116 48.939 1.00 76.62 H new ATOM 0 HH22 ARG A 213 35.758 22.483 48.761 1.00 76.62 H new ATOM 920 N THR A 214 31.901 18.251 54.678 1.00 52.02 N ATOM 921 CA THR A 214 32.812 18.106 55.812 1.00 54.74 C ATOM 922 C THR A 214 34.051 17.353 55.390 1.00 40.74 C ATOM 923 O THR A 214 33.960 16.268 54.838 1.00 52.35 O ATOM 924 CB THR A 214 32.211 17.337 57.004 1.00 48.18 C ATOM 925 OG1 THR A 214 30.920 17.849 57.328 1.00 51.17 O ATOM 926 CG2 THR A 214 33.127 17.461 58.239 1.00 31.13 C ATOM 0 H THR A 214 31.603 17.514 54.349 1.00 52.02 H new ATOM 0 HA THR A 214 33.007 19.013 56.096 1.00 54.74 H new ATOM 0 HB THR A 214 32.133 16.404 56.751 1.00 48.18 H new ATOM 0 HG1 THR A 214 30.777 17.750 58.150 1.00 51.17 H new ATOM 0 HG21 THR A 214 32.737 16.973 58.981 1.00 31.13 H new ATOM 0 HG22 THR A 214 34.000 17.092 58.033 1.00 31.13 H new ATOM 0 HG23 THR A 214 33.220 18.396 58.481 1.00 31.13 H new ATOM 927 N THR A 215 35.214 17.889 55.726 1.00 51.67 N ATOM 928 CA THR A 215 36.466 17.241 55.361 1.00 47.62 C ATOM 929 C THR A 215 37.205 16.661 56.574 1.00 42.65 C ATOM 930 O THR A 215 37.389 17.338 57.580 1.00 45.37 O ATOM 931 CB THR A 215 37.388 18.231 54.629 1.00 43.37 C ATOM 932 OG1 THR A 215 36.666 18.845 53.557 1.00 61.61 O ATOM 933 CG2 THR A 215 38.629 17.520 54.085 1.00 40.33 C ATOM 0 H THR A 215 35.302 18.624 56.163 1.00 51.67 H new ATOM 0 HA THR A 215 36.236 16.504 54.774 1.00 47.62 H new ATOM 0 HB THR A 215 37.681 18.910 55.257 1.00 43.37 H new ATOM 0 HG1 THR A 215 36.434 19.620 53.783 1.00 61.61 H new ATOM 0 HG21 THR A 215 39.195 18.161 53.628 1.00 40.33 H new ATOM 0 HG22 THR A 215 39.121 17.120 54.819 1.00 40.33 H new ATOM 0 HG23 THR A 215 38.358 16.827 53.462 1.00 40.33 H new ATOM 934 N PHE A 216 37.652 15.416 56.449 1.00 43.35 N ATOM 935 CA PHE A 216 38.361 14.725 57.520 1.00 47.93 C ATOM 936 C PHE A 216 39.814 14.417 57.182 1.00 48.70 C ATOM 937 O PHE A 216 40.174 14.278 56.010 1.00 47.39 O ATOM 938 CB PHE A 216 37.645 13.428 57.864 1.00 40.18 C ATOM 939 CG PHE A 216 36.180 13.595 58.075 1.00 51.68 C ATOM 940 CD1 PHE A 216 35.321 13.726 56.980 1.00 36.73 C ATOM 941 CD2 PHE A 216 35.649 13.632 59.362 1.00 39.68 C ATOM 942 CE1 PHE A 216 33.952 13.894 57.164 1.00 37.76 C ATOM 943 CE2 PHE A 216 34.275 13.790 59.558 1.00 45.80 C ATOM 944 CZ PHE A 216 33.424 13.915 58.466 1.00 34.03 C ATOM 0 H PHE A 216 37.552 14.946 55.736 1.00 43.35 H new ATOM 0 HA PHE A 216 38.364 15.329 58.279 1.00 47.93 H new ATOM 0 HB2 PHE A 216 37.791 12.788 57.150 1.00 40.18 H new ATOM 0 HB3 PHE A 216 38.039 13.053 58.667 1.00 40.18 H new ATOM 0 HD1 PHE A 216 35.669 13.701 56.118 1.00 36.73 H new ATOM 0 HD2 PHE A 216 36.214 13.551 60.097 1.00 39.68 H new ATOM 0 HE1 PHE A 216 33.390 13.992 56.430 1.00 37.76 H new ATOM 0 HE2 PHE A 216 33.929 13.812 60.421 1.00 45.80 H new ATOM 0 HZ PHE A 216 32.508 14.012 58.597 1.00 34.03 H new ATOM 945 N ASP A 217 40.644 14.286 58.217 1.00 40.60 N ATOM 946 CA ASP A 217 42.038 13.893 58.019 1.00 40.05 C ATOM 947 C ASP A 217 42.286 12.376 58.135 1.00 47.66 C ATOM 948 O ASP A 217 41.339 11.592 58.205 1.00 43.21 O ATOM 949 CB ASP A 217 42.992 14.723 58.886 1.00 47.76 C ATOM 950 CG ASP A 217 42.900 14.412 60.375 1.00 52.98 C ATOM 951 OD1 ASP A 217 42.183 13.469 60.794 1.00 46.01 O ATOM 952 OD2 ASP A 217 43.575 15.141 61.135 1.00 66.69 O ATOM 0 H ASP A 217 40.421 14.419 59.037 1.00 40.60 H new ATOM 0 HA ASP A 217 42.241 14.100 57.093 1.00 40.05 H new ATOM 0 HB2 ASP A 217 43.902 14.570 58.588 1.00 47.76 H new ATOM 0 HB3 ASP A 217 42.803 15.665 58.749 1.00 47.76 H new ATOM 953 N ASP A 218 43.557 11.980 58.118 1.00 54.85 N ATOM 954 CA ASP A 218 43.985 10.583 58.302 1.00 65.62 C ATOM 955 C ASP A 218 43.366 9.851 59.502 1.00 62.82 C ATOM 956 O ASP A 218 43.195 8.628 59.504 1.00 61.16 O ATOM 957 CB ASP A 218 45.493 10.555 58.516 1.00 65.55 C ATOM 958 CG ASP A 218 46.258 10.656 57.242 1.00 80.55 C ATOM 959 OD1 ASP A 218 45.625 10.867 56.184 1.00 80.51 O ATOM 960 OD2 ASP A 218 47.499 10.515 57.307 1.00 86.66 O ATOM 0 H ASP A 218 44.212 12.524 57.997 1.00 54.85 H new ATOM 0 HA ASP A 218 43.687 10.126 57.500 1.00 65.62 H new ATOM 0 HB2 ASP A 218 45.746 11.287 59.100 1.00 65.55 H new ATOM 0 HB3 ASP A 218 45.736 9.733 58.970 1.00 65.55 H new ATOM 961 N THR A 219 43.069 10.605 60.543 1.00 48.72 N ATOM 962 CA THR A 219 42.680 10.021 61.810 1.00 53.22 C ATOM 963 C THR A 219 41.158 10.051 61.986 1.00 58.29 C ATOM 964 O THR A 219 40.619 9.620 63.005 1.00 54.52 O ATOM 965 CB THR A 219 43.384 10.767 62.940 1.00 67.92 C ATOM 966 OG1 THR A 219 42.772 12.049 63.108 1.00 62.47 O ATOM 967 CG2 THR A 219 44.864 10.972 62.587 1.00 64.48 C ATOM 0 H THR A 219 43.087 11.465 60.536 1.00 48.72 H new ATOM 0 HA THR A 219 42.949 9.089 61.830 1.00 53.22 H new ATOM 0 HB THR A 219 43.312 10.249 63.757 1.00 67.92 H new ATOM 0 HG1 THR A 219 42.624 12.390 62.355 1.00 62.47 H new ATOM 0 HG21 THR A 219 45.306 11.446 63.308 1.00 64.48 H new ATOM 0 HG22 THR A 219 45.289 10.109 62.460 1.00 64.48 H new ATOM 0 HG23 THR A 219 44.933 11.490 61.770 1.00 64.48 H new ATOM 968 N GLY A 220 40.468 10.548 60.970 1.00 50.28 N ATOM 969 CA GLY A 220 39.018 10.524 60.963 1.00 55.86 C ATOM 970 C GLY A 220 38.380 11.643 61.760 1.00 50.79 C ATOM 971 O GLY A 220 37.258 11.500 62.240 1.00 56.62 O ATOM 0 H GLY A 220 40.824 10.905 60.273 1.00 50.28 H new ATOM 0 HA2 GLY A 220 38.707 10.575 60.046 1.00 55.86 H new ATOM 0 HA3 GLY A 220 38.716 9.673 61.318 1.00 55.86 H new ATOM 972 N ARG A 221 39.101 12.752 61.910 1.00 47.43 N ATOM 973 CA ARG A 221 38.570 13.949 62.562 1.00 62.18 C ATOM 974 C ARG A 221 38.200 15.015 61.537 1.00 61.73 C ATOM 975 O ARG A 221 38.910 15.215 60.542 1.00 44.99 O ATOM 976 CB ARG A 221 39.587 14.534 63.552 1.00 51.73 C ATOM 977 CG ARG A 221 39.920 13.596 64.711 1.00 75.06 C ATOM 978 CD ARG A 221 40.728 14.288 65.805 1.00 80.63 C ATOM 979 NE ARG A 221 41.650 13.356 66.452 1.00101.00 N ATOM 980 CZ ARG A 221 42.927 13.195 66.104 1.00103.57 C ATOM 981 NH1 ARG A 221 43.443 13.914 65.113 1.00 76.84 N ATOM 982 NH2 ARG A 221 43.691 12.317 66.750 1.00105.18 N ATOM 0 H ARG A 221 39.912 12.832 61.637 1.00 47.43 H new ATOM 0 HA ARG A 221 37.772 13.682 63.044 1.00 62.18 H new ATOM 0 HB2 ARG A 221 40.404 14.750 63.075 1.00 51.73 H new ATOM 0 HB3 ARG A 221 39.238 15.366 63.909 1.00 51.73 H new ATOM 0 HG2 ARG A 221 39.097 13.250 65.090 1.00 75.06 H new ATOM 0 HG3 ARG A 221 40.420 12.836 64.375 1.00 75.06 H new ATOM 0 HD2 ARG A 221 41.227 15.027 65.424 1.00 80.63 H new ATOM 0 HD3 ARG A 221 40.126 14.663 66.467 1.00 80.63 H new ATOM 0 HE ARG A 221 41.348 12.879 67.101 1.00101.00 H new ATOM 0 HH11 ARG A 221 42.953 14.484 64.695 1.00 76.84 H new ATOM 0 HH12 ARG A 221 44.267 13.809 64.889 1.00 76.84 H new ATOM 0 HH21 ARG A 221 43.361 11.852 67.394 1.00105.18 H new ATOM 0 HH22 ARG A 221 44.514 12.215 66.524 1.00105.18 H new ATOM 983 N ALA A 222 37.086 15.700 61.772 1.00 48.77 N ATOM 984 CA ALA A 222 36.718 16.807 60.898 1.00 46.45 C ATOM 985 C ALA A 222 37.780 17.877 60.996 1.00 42.34 C ATOM 986 O ALA A 222 38.320 18.162 62.054 1.00 50.09 O ATOM 987 CB ALA A 222 35.355 17.373 61.235 1.00 37.33 C ATOM 0 H ALA A 222 36.540 15.545 62.418 1.00 48.77 H new ATOM 0 HA ALA A 222 36.662 16.476 59.988 1.00 46.45 H new ATOM 0 HB1 ALA A 222 35.150 18.105 60.632 1.00 37.33 H new ATOM 0 HB2 ALA A 222 34.684 16.679 61.141 1.00 37.33 H new ATOM 0 HB3 ALA A 222 35.357 17.699 62.149 1.00 37.33 H new ATOM 988 N VAL A 223 38.082 18.473 59.863 1.00 42.68 N ATOM 989 CA VAL A 223 39.198 19.376 59.786 1.00 40.59 C ATOM 990 C VAL A 223 38.629 20.692 59.208 1.00 41.17 C ATOM 991 O VAL A 223 39.187 21.780 59.378 1.00 37.60 O ATOM 992 CB VAL A 223 40.350 18.654 58.975 1.00 52.10 C ATOM 993 CG1 VAL A 223 40.441 19.089 57.519 1.00 39.98 C ATOM 994 CG2 VAL A 223 41.665 18.754 59.682 1.00 45.96 C ATOM 0 H VAL A 223 37.651 18.366 59.127 1.00 42.68 H new ATOM 0 HA VAL A 223 39.619 19.611 60.628 1.00 40.59 H new ATOM 0 HB VAL A 223 40.105 17.716 58.942 1.00 52.10 H new ATOM 0 HG11 VAL A 223 41.163 18.611 57.083 1.00 39.98 H new ATOM 0 HG12 VAL A 223 39.605 18.891 57.069 1.00 39.98 H new ATOM 0 HG13 VAL A 223 40.613 20.043 57.476 1.00 39.98 H new ATOM 0 HG21 VAL A 223 42.348 18.303 59.161 1.00 45.96 H new ATOM 0 HG22 VAL A 223 41.905 19.688 59.789 1.00 45.96 H new ATOM 0 HG23 VAL A 223 41.596 18.336 60.555 1.00 45.96 H new ATOM 995 N GLU A 224 37.459 20.578 58.589 1.00 42.85 N ATOM 996 CA GLU A 224 36.858 21.683 57.871 1.00 43.61 C ATOM 997 C GLU A 224 35.386 21.371 57.583 1.00 41.34 C ATOM 998 O GLU A 224 35.030 20.249 57.219 1.00 44.73 O ATOM 999 CB GLU A 224 37.630 21.931 56.559 1.00 52.91 C ATOM 1000 CG GLU A 224 37.082 23.067 55.695 1.00 47.70 C ATOM 1001 CD GLU A 224 35.954 22.636 54.744 1.00 59.89 C ATOM 1002 OE1 GLU A 224 35.898 21.454 54.342 1.00 57.78 O ATOM 1003 OE2 GLU A 224 35.119 23.490 54.378 1.00 54.96 O ATOM 0 H GLU A 224 36.994 19.855 58.576 1.00 42.85 H new ATOM 0 HA GLU A 224 36.903 22.487 58.412 1.00 43.61 H new ATOM 0 HB2 GLU A 224 38.556 22.124 56.775 1.00 52.91 H new ATOM 0 HB3 GLU A 224 37.625 21.114 56.037 1.00 52.91 H new ATOM 0 HG2 GLU A 224 36.753 23.773 56.274 1.00 47.70 H new ATOM 0 HG3 GLU A 224 37.808 23.444 55.173 1.00 47.70 H new ATOM 1004 N PHE A 225 34.535 22.369 57.778 1.00 44.10 N ATOM 1005 CA PHE A 225 33.141 22.298 57.379 1.00 44.25 C ATOM 1006 C PHE A 225 32.792 23.509 56.519 1.00 53.55 C ATOM 1007 O PHE A 225 33.015 24.654 56.909 1.00 43.80 O ATOM 1008 CB PHE A 225 32.244 22.303 58.597 1.00 35.39 C ATOM 1009 CG PHE A 225 30.774 22.353 58.266 1.00 53.71 C ATOM 1010 CD1 PHE A 225 30.177 21.322 57.551 1.00 45.71 C ATOM 1011 CD2 PHE A 225 29.981 23.420 58.679 1.00 58.66 C ATOM 1012 CE1 PHE A 225 28.812 21.343 57.254 1.00 52.72 C ATOM 1013 CE2 PHE A 225 28.608 23.452 58.380 1.00 48.66 C ATOM 1014 CZ PHE A 225 28.026 22.409 57.672 1.00 47.97 C ATOM 0 H PHE A 225 34.754 23.113 58.149 1.00 44.10 H new ATOM 0 HA PHE A 225 33.007 21.478 56.878 1.00 44.25 H new ATOM 0 HB2 PHE A 225 32.422 21.508 59.123 1.00 35.39 H new ATOM 0 HB3 PHE A 225 32.469 23.067 59.151 1.00 35.39 H new ATOM 0 HD1 PHE A 225 30.695 20.605 57.265 1.00 45.71 H new ATOM 0 HD2 PHE A 225 30.364 24.119 59.158 1.00 58.66 H new ATOM 0 HE1 PHE A 225 28.429 20.643 56.776 1.00 52.72 H new ATOM 0 HE2 PHE A 225 28.089 24.172 58.657 1.00 48.66 H new ATOM 0 HZ PHE A 225 27.116 22.424 57.479 1.00 47.97 H new ATOM 1015 N GLY A 226 32.220 23.261 55.355 1.00 39.04 N ATOM 1016 CA GLY A 226 31.902 24.343 54.452 1.00 42.96 C ATOM 1017 C GLY A 226 30.436 24.352 54.102 1.00 47.09 C ATOM 1018 O GLY A 226 29.789 23.314 53.963 1.00 45.78 O ATOM 0 H GLY A 226 32.009 22.477 55.072 1.00 39.04 H new ATOM 0 HA2 GLY A 226 32.144 25.189 54.860 1.00 42.96 H new ATOM 0 HA3 GLY A 226 32.429 24.257 53.642 1.00 42.96 H new ATOM 1019 N THR A 227 29.907 25.554 53.970 1.00 45.93 N ATOM 1020 CA THR A 227 28.522 25.734 53.578 1.00 45.30 C ATOM 1021 C THR A 227 28.528 26.805 52.482 1.00 51.23 C ATOM 1022 O THR A 227 28.862 27.966 52.723 1.00 54.82 O ATOM 1023 CB THR A 227 27.622 26.063 54.820 1.00 58.44 C ATOM 1024 OG1 THR A 227 26.243 25.860 54.503 1.00 62.97 O ATOM 1025 CG2 THR A 227 27.858 27.488 55.372 1.00 47.35 C ATOM 0 H THR A 227 30.337 26.286 54.104 1.00 45.93 H new ATOM 0 HA THR A 227 28.125 24.925 53.220 1.00 45.30 H new ATOM 0 HB THR A 227 27.878 25.450 55.526 1.00 58.44 H new ATOM 0 HG1 THR A 227 25.772 26.038 55.175 1.00 62.97 H new ATOM 0 HG21 THR A 227 27.279 27.639 56.136 1.00 47.35 H new ATOM 0 HG22 THR A 227 28.784 27.580 55.645 1.00 47.35 H new ATOM 0 HG23 THR A 227 27.659 28.140 54.682 1.00 47.35 H new ATOM 1026 N HIS A 228 28.199 26.388 51.263 1.00 55.04 N ATOM 1027 CA HIS A 228 28.418 27.225 50.091 1.00 43.06 C ATOM 1028 C HIS A 228 27.171 27.445 49.255 1.00 43.66 C ATOM 1029 O HIS A 228 26.279 26.602 49.219 1.00 47.18 O ATOM 1030 CB HIS A 228 29.482 26.590 49.203 1.00 46.24 C ATOM 1031 CG HIS A 228 30.722 26.194 49.926 1.00 56.89 C ATOM 1032 ND1 HIS A 228 31.315 24.967 49.771 1.00 74.66 N ATOM 1033 CD2 HIS A 228 31.496 26.871 50.819 1.00 47.28 C ATOM 1034 CE1 HIS A 228 32.400 24.893 50.519 1.00 62.10 C ATOM 1035 NE2 HIS A 228 32.528 26.051 51.164 1.00 62.99 N ATOM 0 H HIS A 228 27.847 25.622 51.094 1.00 55.04 H new ATOM 0 HA HIS A 228 28.698 28.090 50.427 1.00 43.06 H new ATOM 0 HB2 HIS A 228 29.105 25.806 48.774 1.00 46.24 H new ATOM 0 HB3 HIS A 228 29.716 27.214 48.498 1.00 46.24 H new ATOM 0 HD2 HIS A 228 31.348 27.733 51.135 1.00 47.28 H new ATOM 0 HE1 HIS A 228 32.972 24.163 50.584 1.00 62.10 H new ATOM 0 HE2 HIS A 228 33.161 26.250 51.711 1.00 62.99 H new ATOM 1036 N THR A 229 27.142 28.591 48.573 1.00 61.91 N ATOM 1037 CA THR A 229 26.110 28.941 47.592 1.00 59.27 C ATOM 1038 C THR A 229 26.741 29.305 46.248 1.00 51.74 C ATOM 1039 O THR A 229 27.814 29.921 46.185 1.00 47.78 O ATOM 1040 CB THR A 229 25.286 30.145 48.049 1.00 55.41 C ATOM 1041 OG1 THR A 229 26.161 31.094 48.677 1.00 69.43 O ATOM 1042 CG2 THR A 229 24.214 29.719 49.026 1.00 59.42 C ATOM 0 H THR A 229 27.738 29.203 48.670 1.00 61.91 H new ATOM 0 HA THR A 229 25.538 28.162 47.504 1.00 59.27 H new ATOM 0 HB THR A 229 24.855 30.546 47.278 1.00 55.41 H new ATOM 0 HG1 THR A 229 25.717 31.760 48.930 1.00 69.43 H new ATOM 0 HG21 THR A 229 23.703 30.495 49.304 1.00 59.42 H new ATOM 0 HG22 THR A 229 23.623 29.079 48.600 1.00 59.42 H new ATOM 0 HG23 THR A 229 24.627 29.310 49.802 1.00 59.42 H new ATOM 1043 N TYR A 230 26.067 28.926 45.172 1.00 49.03 N ATOM 1044 CA TYR A 230 26.564 29.205 43.830 1.00 60.72 C ATOM 1045 C TYR A 230 25.460 29.754 42.948 1.00 55.98 C ATOM 1046 O TYR A 230 24.344 29.213 42.942 1.00 50.38 O ATOM 1047 CB TYR A 230 27.085 27.928 43.184 1.00 55.21 C ATOM 1048 CG TYR A 230 28.049 27.148 44.030 1.00 50.17 C ATOM 1049 CD1 TYR A 230 27.593 26.241 44.976 1.00 51.57 C ATOM 1050 CD2 TYR A 230 29.424 27.307 43.876 1.00 51.06 C ATOM 1051 CE1 TYR A 230 28.482 25.520 45.754 1.00 49.53 C ATOM 1052 CE2 TYR A 230 30.315 26.594 44.646 1.00 54.74 C ATOM 1053 CZ TYR A 230 29.846 25.700 45.587 1.00 54.45 C ATOM 1054 OH TYR A 230 30.746 24.983 46.357 1.00 55.01 O ATOM 0 H TYR A 230 25.318 28.505 45.196 1.00 49.03 H new ATOM 0 HA TYR A 230 27.276 29.859 43.914 1.00 60.72 H new ATOM 0 HB2 TYR A 230 26.330 27.359 42.966 1.00 55.21 H new ATOM 0 HB3 TYR A 230 27.519 28.157 42.347 1.00 55.21 H new ATOM 0 HD1 TYR A 230 26.678 26.116 45.089 1.00 51.57 H new ATOM 0 HD2 TYR A 230 29.746 27.906 43.241 1.00 51.06 H new ATOM 0 HE1 TYR A 230 28.165 24.917 46.387 1.00 49.53 H new ATOM 0 HE2 TYR A 230 31.230 26.714 44.532 1.00 54.74 H new ATOM 0 HH TYR A 230 31.530 25.197 46.144 1.00 55.01 H new ATOM 1055 N ARG A 231 25.779 30.809 42.197 1.00 53.33 N ATOM 1056 CA ARG A 231 24.877 31.333 41.158 1.00 69.89 C ATOM 1057 C ARG A 231 24.756 30.327 40.015 1.00 55.32 C ATOM 1058 O ARG A 231 25.734 30.108 39.288 1.00 54.23 O ATOM 1059 CB ARG A 231 25.414 32.652 40.602 1.00 66.42 C ATOM 1060 CG ARG A 231 25.687 33.715 41.652 1.00 83.23 C ATOM 1061 CD ARG A 231 26.058 35.023 40.989 1.00 87.80 C ATOM 1062 NE ARG A 231 24.984 35.516 40.136 1.00 97.54 N ATOM 1063 CZ ARG A 231 25.157 36.378 39.141 1.00 87.24 C ATOM 1064 NH1 ARG A 231 24.114 36.771 38.424 1.00 78.16 N ATOM 1065 NH2 ARG A 231 26.368 36.845 38.865 1.00 80.81 N ATOM 0 H ARG A 231 26.519 31.241 42.272 1.00 53.33 H new ATOM 0 HA ARG A 231 24.006 31.482 41.558 1.00 69.89 H new ATOM 0 HB2 ARG A 231 26.235 32.475 40.117 1.00 66.42 H new ATOM 0 HB3 ARG A 231 24.776 33.003 39.961 1.00 66.42 H new ATOM 0 HG2 ARG A 231 24.902 33.838 42.208 1.00 83.23 H new ATOM 0 HG3 ARG A 231 26.406 33.425 42.235 1.00 83.23 H new ATOM 0 HD2 ARG A 231 26.262 35.685 41.668 1.00 87.80 H new ATOM 0 HD3 ARG A 231 26.862 34.902 40.460 1.00 87.80 H new ATOM 0 HE ARG A 231 24.187 35.230 40.287 1.00 97.54 H new ATOM 0 HH11 ARG A 231 23.330 36.468 38.604 1.00 78.16 H new ATOM 0 HH12 ARG A 231 24.222 37.329 37.779 1.00 78.16 H new ATOM 0 HH21 ARG A 231 27.044 36.589 39.331 1.00 80.81 H new ATOM 0 HH22 ARG A 231 26.477 37.403 38.220 1.00 80.81 H new ATOM 1066 N PRO A 232 23.574 29.687 39.872 1.00 43.21 N ATOM 1067 CA PRO A 232 23.386 28.591 38.903 1.00 59.83 C ATOM 1068 C PRO A 232 23.655 28.984 37.447 1.00 62.71 C ATOM 1069 O PRO A 232 23.997 28.123 36.641 1.00 75.48 O ATOM 1070 CB PRO A 232 21.913 28.173 39.106 1.00 55.26 C ATOM 1071 CG PRO A 232 21.290 29.314 39.874 1.00 72.85 C ATOM 1072 CD PRO A 232 22.396 29.834 40.744 1.00 52.47 C ATOM 0 HA PRO A 232 24.023 27.877 39.062 1.00 59.83 H new ATOM 0 HB2 PRO A 232 21.466 28.035 38.256 1.00 55.26 H new ATOM 0 HB3 PRO A 232 21.848 27.340 39.599 1.00 55.26 H new ATOM 0 HG2 PRO A 232 20.958 30.002 39.276 1.00 72.85 H new ATOM 0 HG3 PRO A 232 20.536 29.012 40.405 1.00 72.85 H new ATOM 0 HD2 PRO A 232 22.250 30.757 41.003 1.00 52.47 H new ATOM 0 HD3 PRO A 232 22.485 29.321 41.562 1.00 52.47 H new ATOM 1073 N SER A 233 23.518 30.265 37.125 1.00 65.09 N ATOM 1074 CA SER A 233 23.808 30.762 35.783 1.00 73.23 C ATOM 1075 C SER A 233 25.310 30.901 35.580 1.00 71.07 C ATOM 1076 O SER A 233 25.769 31.175 34.475 1.00 79.10 O ATOM 1077 CB SER A 233 23.152 32.131 35.569 1.00 59.65 C ATOM 1078 OG SER A 233 23.830 33.132 36.321 1.00 80.82 O ATOM 0 H SER A 233 23.255 30.870 37.676 1.00 65.09 H new ATOM 0 HA SER A 233 23.452 30.125 35.144 1.00 73.23 H new ATOM 0 HB2 SER A 233 23.169 32.360 34.627 1.00 59.65 H new ATOM 0 HB3 SER A 233 22.220 32.094 35.835 1.00 59.65 H new ATOM 0 HG SER A 233 23.462 33.876 36.194 1.00 80.82 H new ATOM 1079 N ARG A 234 26.083 30.718 36.642 1.00 63.47 N ATOM 1080 CA ARG A 234 27.510 31.018 36.579 1.00 68.37 C ATOM 1081 C ARG A 234 28.383 29.806 36.917 1.00 55.72 C ATOM 1082 O ARG A 234 29.601 29.804 36.707 1.00 50.75 O ATOM 1083 CB ARG A 234 27.813 32.194 37.512 1.00 76.19 C ATOM 1084 CG ARG A 234 27.826 33.557 36.833 1.00 77.61 C ATOM 1085 CD ARG A 234 29.269 33.959 36.565 1.00 98.59 C ATOM 1086 NE ARG A 234 29.428 34.763 35.356 1.00131.30 N ATOM 1087 CZ ARG A 234 29.510 34.257 34.128 1.00133.84 C ATOM 1088 NH1 ARG A 234 29.437 32.945 33.944 1.00130.39 N ATOM 1089 NH2 ARG A 234 29.663 35.061 33.083 1.00109.67 N ATOM 0 H ARG A 234 25.807 30.424 37.402 1.00 63.47 H new ATOM 0 HA ARG A 234 27.730 31.258 35.665 1.00 68.37 H new ATOM 0 HB2 ARG A 234 27.152 32.206 38.222 1.00 76.19 H new ATOM 0 HB3 ARG A 234 28.676 32.046 37.930 1.00 76.19 H new ATOM 0 HG2 ARG A 234 27.327 33.523 36.002 1.00 77.61 H new ATOM 0 HG3 ARG A 234 27.393 34.217 37.397 1.00 77.61 H new ATOM 0 HD2 ARG A 234 29.606 34.459 37.325 1.00 98.59 H new ATOM 0 HD3 ARG A 234 29.812 33.159 36.488 1.00 98.59 H new ATOM 0 HE ARG A 234 29.471 35.617 35.443 1.00131.30 H new ATOM 0 HH11 ARG A 234 29.337 32.421 34.619 1.00130.39 H new ATOM 0 HH12 ARG A 234 29.490 32.619 33.150 1.00130.39 H new ATOM 0 HH21 ARG A 234 29.709 35.912 33.198 1.00109.67 H new ATOM 0 HH22 ARG A 234 29.716 34.731 32.291 1.00109.67 H new ATOM 1090 N TYR A 235 27.751 28.765 37.442 1.00 54.56 N ATOM 1091 CA TYR A 235 28.497 27.617 37.950 1.00 61.64 C ATOM 1092 C TYR A 235 27.672 26.333 37.919 1.00 53.40 C ATOM 1093 O TYR A 235 26.450 26.369 38.095 1.00 50.31 O ATOM 1094 CB TYR A 235 28.957 27.885 39.395 1.00 58.73 C ATOM 1095 CG TYR A 235 29.821 26.782 39.954 1.00 60.82 C ATOM 1096 CD1 TYR A 235 31.197 26.790 39.756 1.00 60.05 C ATOM 1097 CD2 TYR A 235 29.261 25.715 40.666 1.00 49.12 C ATOM 1098 CE1 TYR A 235 32.004 25.771 40.259 1.00 72.00 C ATOM 1099 CE2 TYR A 235 30.065 24.681 41.176 1.00 56.19 C ATOM 1100 CZ TYR A 235 31.436 24.719 40.966 1.00 65.03 C ATOM 1101 OH TYR A 235 32.247 23.715 41.452 1.00 65.85 O ATOM 0 H TYR A 235 26.896 28.701 37.514 1.00 54.56 H new ATOM 0 HA TYR A 235 29.264 27.496 37.369 1.00 61.64 H new ATOM 0 HB2 TYR A 235 29.450 28.720 39.422 1.00 58.73 H new ATOM 0 HB3 TYR A 235 28.178 27.997 39.962 1.00 58.73 H new ATOM 0 HD1 TYR A 235 31.586 27.488 39.280 1.00 60.05 H new ATOM 0 HD2 TYR A 235 28.342 25.690 40.804 1.00 49.12 H new ATOM 0 HE1 TYR A 235 32.923 25.795 40.121 1.00 72.00 H new ATOM 0 HE2 TYR A 235 29.682 23.978 41.650 1.00 56.19 H new ATOM 0 HH TYR A 235 31.779 23.148 41.857 1.00 65.85 H new ATOM 1102 N SER A 236 28.343 25.202 37.700 1.00 52.16 N ATOM 1103 CA SER A 236 27.729 23.890 37.951 1.00 45.86 C ATOM 1104 C SER A 236 28.768 22.822 38.307 1.00 46.43 C ATOM 1105 O SER A 236 29.961 22.964 38.016 1.00 46.83 O ATOM 1106 CB SER A 236 26.844 23.444 36.776 1.00 55.61 C ATOM 1107 OG SER A 236 27.611 23.238 35.605 1.00 55.74 O ATOM 0 H SER A 236 29.151 25.169 37.408 1.00 52.16 H new ATOM 0 HA SER A 236 27.155 23.995 38.726 1.00 45.86 H new ATOM 0 HB2 SER A 236 26.381 22.625 37.010 1.00 55.61 H new ATOM 0 HB3 SER A 236 26.165 24.116 36.607 1.00 55.61 H new ATOM 0 HG SER A 236 27.651 22.416 35.437 1.00 55.74 H new ATOM 1108 N PHE A 237 28.321 21.760 38.963 1.00 41.02 N ATOM 1109 CA PHE A 237 29.248 20.704 39.358 1.00 48.00 C ATOM 1110 C PHE A 237 29.424 19.750 38.202 1.00 43.28 C ATOM 1111 O PHE A 237 28.479 19.115 37.752 1.00 48.04 O ATOM 1112 CB PHE A 237 28.763 19.976 40.612 1.00 46.99 C ATOM 1113 CG PHE A 237 28.779 20.832 41.847 1.00 56.08 C ATOM 1114 CD1 PHE A 237 29.949 20.995 42.573 1.00 59.41 C ATOM 1115 CD2 PHE A 237 27.631 21.493 42.272 1.00 42.13 C ATOM 1116 CE1 PHE A 237 29.984 21.794 43.706 1.00 65.57 C ATOM 1117 CE2 PHE A 237 27.659 22.301 43.415 1.00 62.87 C ATOM 1118 CZ PHE A 237 28.841 22.448 44.131 1.00 52.13 C ATOM 0 H PHE A 237 27.501 21.630 39.187 1.00 41.02 H new ATOM 0 HA PHE A 237 30.106 21.099 39.580 1.00 48.00 H new ATOM 0 HB2 PHE A 237 27.860 19.655 40.462 1.00 46.99 H new ATOM 0 HB3 PHE A 237 29.321 19.196 40.760 1.00 46.99 H new ATOM 0 HD1 PHE A 237 30.723 20.561 42.295 1.00 59.41 H new ATOM 0 HD2 PHE A 237 26.839 21.397 41.793 1.00 42.13 H new ATOM 0 HE1 PHE A 237 30.778 21.890 44.181 1.00 65.57 H new ATOM 0 HE2 PHE A 237 26.888 22.739 43.695 1.00 62.87 H new ATOM 0 HZ PHE A 237 28.864 22.983 44.891 1.00 52.13 H new ATOM 1119 N GLU A 238 30.639 19.692 37.689 1.00 45.85 N ATOM 1120 CA GLU A 238 30.912 18.895 36.504 1.00 55.11 C ATOM 1121 C GLU A 238 31.868 17.801 36.902 1.00 59.26 C ATOM 1122 O GLU A 238 32.922 18.067 37.466 1.00 59.23 O ATOM 1123 CB GLU A 238 31.547 19.745 35.397 1.00 47.64 C ATOM 1124 CG GLU A 238 30.681 20.880 34.861 1.00 51.09 C ATOM 1125 CD GLU A 238 29.497 20.395 34.043 1.00 68.85 C ATOM 1126 OE1 GLU A 238 29.588 19.318 33.403 1.00 68.53 O ATOM 1127 OE2 GLU A 238 28.468 21.104 34.039 1.00 64.46 O ATOM 0 H GLU A 238 31.321 20.106 38.010 1.00 45.85 H new ATOM 0 HA GLU A 238 30.081 18.532 36.159 1.00 55.11 H new ATOM 0 HB2 GLU A 238 32.374 20.122 35.735 1.00 47.64 H new ATOM 0 HB3 GLU A 238 31.782 19.162 34.658 1.00 47.64 H new ATOM 0 HG2 GLU A 238 30.357 21.411 35.605 1.00 51.09 H new ATOM 0 HG3 GLU A 238 31.227 21.465 34.313 1.00 51.09 H new ATOM 1128 N PHE A 239 31.505 16.563 36.620 1.00 51.55 N ATOM 1129 CA PHE A 239 32.442 15.487 36.847 1.00 51.72 C ATOM 1130 C PHE A 239 32.237 14.272 35.944 1.00 60.83 C ATOM 1131 O PHE A 239 31.267 14.170 35.190 1.00 49.78 O ATOM 1132 CB PHE A 239 32.446 15.081 38.320 1.00 70.57 C ATOM 1133 CG PHE A 239 31.083 14.847 38.878 1.00 57.20 C ATOM 1134 CD1 PHE A 239 30.333 15.901 39.374 1.00 64.86 C ATOM 1135 CD2 PHE A 239 30.537 13.570 38.890 1.00 67.10 C ATOM 1136 CE1 PHE A 239 29.062 15.694 39.886 1.00 63.85 C ATOM 1137 CE2 PHE A 239 29.252 13.343 39.406 1.00 66.35 C ATOM 1138 CZ PHE A 239 28.516 14.412 39.902 1.00 67.13 C ATOM 0 H PHE A 239 30.740 16.330 36.304 1.00 51.55 H new ATOM 0 HA PHE A 239 33.313 15.840 36.606 1.00 51.72 H new ATOM 0 HB2 PHE A 239 32.973 14.273 38.424 1.00 70.57 H new ATOM 0 HB3 PHE A 239 32.885 15.774 38.838 1.00 70.57 H new ATOM 0 HD1 PHE A 239 30.688 16.761 39.363 1.00 64.86 H new ATOM 0 HD2 PHE A 239 31.029 12.857 38.552 1.00 67.10 H new ATOM 0 HE1 PHE A 239 28.573 16.411 40.219 1.00 63.85 H new ATOM 0 HE2 PHE A 239 28.896 12.484 39.416 1.00 66.35 H new ATOM 0 HZ PHE A 239 27.662 14.272 40.243 1.00 67.13 H new ATOM 1139 N GLN A 240 33.198 13.367 36.020 1.00 51.24 N ATOM 1140 CA GLN A 240 33.156 12.136 35.282 1.00 54.43 C ATOM 1141 C GLN A 240 33.237 11.017 36.301 1.00 51.07 C ATOM 1142 O GLN A 240 34.001 11.097 37.252 1.00 46.36 O ATOM 1143 CB GLN A 240 34.344 12.064 34.332 1.00 51.40 C ATOM 1144 CG GLN A 240 34.420 10.774 33.528 1.00 59.69 C ATOM 1145 CD GLN A 240 35.730 10.649 32.742 1.00 76.57 C ATOM 1146 OE1 GLN A 240 35.819 9.887 31.782 1.00 63.56 O ATOM 1147 NE2 GLN A 240 36.748 11.400 33.149 1.00 56.61 N ATOM 0 H GLN A 240 33.899 13.458 36.510 1.00 51.24 H new ATOM 0 HA GLN A 240 32.345 12.069 34.754 1.00 54.43 H new ATOM 0 HB2 GLN A 240 34.301 12.814 33.718 1.00 51.40 H new ATOM 0 HB3 GLN A 240 35.162 12.163 34.844 1.00 51.40 H new ATOM 0 HG2 GLN A 240 34.333 10.017 34.128 1.00 59.69 H new ATOM 0 HG3 GLN A 240 33.672 10.736 32.912 1.00 59.69 H new ATOM 0 HE21 GLN A 240 36.653 11.923 33.825 1.00 56.61 H new ATOM 0 HE22 GLN A 240 37.502 11.363 32.737 1.00 56.61 H new ATOM 1148 N LEU A 241 32.421 9.989 36.107 1.00 48.79 N ATOM 1149 CA LEU A 241 32.479 8.767 36.903 1.00 47.00 C ATOM 1150 C LEU A 241 33.089 7.649 36.072 1.00 45.94 C ATOM 1151 O LEU A 241 32.779 7.512 34.895 1.00 52.42 O ATOM 1152 CB LEU A 241 31.072 8.358 37.332 1.00 52.65 C ATOM 1153 CG LEU A 241 30.513 8.945 38.624 1.00 70.12 C ATOM 1154 CD1 LEU A 241 30.960 10.382 38.830 1.00 74.28 C ATOM 1155 CD2 LEU A 241 28.999 8.829 38.607 1.00 48.66 C ATOM 0 H LEU A 241 31.810 9.980 35.502 1.00 48.79 H new ATOM 0 HA LEU A 241 33.023 8.928 37.690 1.00 47.00 H new ATOM 0 HB2 LEU A 241 30.464 8.591 36.613 1.00 52.65 H new ATOM 0 HB3 LEU A 241 31.057 7.392 37.415 1.00 52.65 H new ATOM 0 HG LEU A 241 30.863 8.441 39.375 1.00 70.12 H new ATOM 0 HD11 LEU A 241 30.587 10.722 39.658 1.00 74.28 H new ATOM 0 HD12 LEU A 241 31.928 10.417 38.874 1.00 74.28 H new ATOM 0 HD13 LEU A 241 30.651 10.927 38.089 1.00 74.28 H new ATOM 0 HD21 LEU A 241 28.637 9.201 39.426 1.00 48.66 H new ATOM 0 HD22 LEU A 241 28.645 9.317 37.847 1.00 48.66 H new ATOM 0 HD23 LEU A 241 28.747 7.895 38.537 1.00 48.66 H new ATOM 1156 N LEU A 242 33.948 6.846 36.679 1.00 57.97 N ATOM 1157 CA LEU A 242 34.638 5.792 35.945 1.00 57.40 C ATOM 1158 C LEU A 242 34.580 4.487 36.701 1.00 55.48 C ATOM 1159 O LEU A 242 34.971 4.435 37.858 1.00 56.78 O ATOM 1160 CB LEU A 242 36.121 6.145 35.772 1.00 57.82 C ATOM 1161 CG LEU A 242 36.482 7.461 35.097 1.00 69.42 C ATOM 1162 CD1 LEU A 242 37.955 7.780 35.307 1.00 72.07 C ATOM 1163 CD2 LEU A 242 36.142 7.392 33.621 1.00 67.92 C ATOM 0 H LEU A 242 34.147 6.892 37.514 1.00 57.97 H new ATOM 0 HA LEU A 242 34.199 5.707 35.084 1.00 57.40 H new ATOM 0 HB2 LEU A 242 36.529 6.144 36.652 1.00 57.82 H new ATOM 0 HB3 LEU A 242 36.537 5.430 35.265 1.00 57.82 H new ATOM 0 HG LEU A 242 35.964 8.177 35.498 1.00 69.42 H new ATOM 0 HD11 LEU A 242 38.170 8.620 34.872 1.00 72.07 H new ATOM 0 HD12 LEU A 242 38.138 7.852 36.257 1.00 72.07 H new ATOM 0 HD13 LEU A 242 38.497 7.071 34.926 1.00 72.07 H new ATOM 0 HD21 LEU A 242 36.374 8.232 33.196 1.00 67.92 H new ATOM 0 HD22 LEU A 242 36.642 6.672 33.207 1.00 67.92 H new ATOM 0 HD23 LEU A 242 35.192 7.228 33.515 1.00 67.92 H new ATOM 1164 N VAL A 243 34.133 3.423 36.050 1.00 65.60 N ATOM 1165 CA VAL A 243 34.319 2.097 36.628 1.00 64.92 C ATOM 1166 C VAL A 243 35.791 1.693 36.473 1.00 72.08 C ATOM 1167 O VAL A 243 36.294 1.575 35.358 1.00 82.87 O ATOM 1168 CB VAL A 243 33.343 1.051 36.017 1.00 64.56 C ATOM 1169 CG1 VAL A 243 33.864 -0.366 36.224 1.00 74.12 C ATOM 1170 CG2 VAL A 243 31.948 1.204 36.632 1.00 58.60 C ATOM 0 H VAL A 243 33.729 3.442 35.291 1.00 65.60 H new ATOM 0 HA VAL A 243 34.102 2.125 37.573 1.00 64.92 H new ATOM 0 HB VAL A 243 33.283 1.213 35.062 1.00 64.56 H new ATOM 0 HG11 VAL A 243 33.241 -1.000 35.836 1.00 74.12 H new ATOM 0 HG12 VAL A 243 34.729 -0.459 35.794 1.00 74.12 H new ATOM 0 HG13 VAL A 243 33.955 -0.542 37.174 1.00 74.12 H new ATOM 0 HG21 VAL A 243 31.349 0.547 36.244 1.00 58.60 H new ATOM 0 HG22 VAL A 243 32.000 1.066 37.591 1.00 58.60 H new ATOM 0 HG23 VAL A 243 31.611 2.095 36.451 1.00 58.60 H new ATOM 1171 N ARG A 244 36.489 1.512 37.592 1.00 81.80 N ATOM 1172 CA ARG A 244 37.920 1.238 37.533 1.00 96.89 C ATOM 1173 C ARG A 244 38.249 -0.135 38.085 1.00113.18 C ATOM 1174 O ARG A 244 38.147 -0.364 39.288 1.00125.49 O ATOM 1175 CB ARG A 244 38.713 2.290 38.305 1.00 95.78 C ATOM 1176 CG ARG A 244 40.110 2.543 37.758 1.00103.69 C ATOM 1177 CD ARG A 244 40.172 3.892 37.060 1.00 99.39 C ATOM 1178 NE ARG A 244 40.076 3.828 35.605 1.00112.15 N ATOM 1179 CZ ARG A 244 41.012 4.304 34.789 1.00129.47 C ATOM 1180 NH1 ARG A 244 40.864 4.231 33.471 1.00 87.75 N ATOM 1181 NH2 ARG A 244 42.101 4.865 35.300 1.00142.26 N ATOM 0 H ARG A 244 36.157 1.543 38.385 1.00 81.80 H new ATOM 0 HA ARG A 244 38.172 1.268 36.597 1.00 96.89 H new ATOM 0 HB2 ARG A 244 38.218 3.124 38.297 1.00 95.78 H new ATOM 0 HB3 ARG A 244 38.785 2.011 39.231 1.00 95.78 H new ATOM 0 HG2 ARG A 244 40.756 2.517 38.481 1.00103.69 H new ATOM 0 HG3 ARG A 244 40.352 1.839 37.136 1.00103.69 H new ATOM 0 HD2 ARG A 244 39.453 4.450 37.396 1.00 99.39 H new ATOM 0 HD3 ARG A 244 41.005 4.328 37.299 1.00 99.39 H new ATOM 0 HE ARG A 244 39.379 3.464 35.258 1.00112.15 H new ATOM 0 HH11 ARG A 244 40.157 3.873 33.137 1.00 87.75 H new ATOM 0 HH12 ARG A 244 41.475 4.542 32.952 1.00 87.75 H new ATOM 0 HH21 ARG A 244 42.197 4.919 36.153 1.00142.26 H new ATOM 0 HH22 ARG A 244 42.710 5.175 34.778 1.00142.26 H new ATOM 1182 N PRO A 245 38.662 -1.051 37.201 1.00125.42 N ATOM 1183 CA PRO A 245 39.088 -2.407 37.560 1.00132.14 C ATOM 1184 C PRO A 245 39.899 -2.448 38.868 1.00134.49 C ATOM 1185 O PRO A 245 39.356 -2.765 39.942 1.00103.29 O ATOM 1186 CB PRO A 245 39.961 -2.803 36.368 1.00117.48 C ATOM 1187 CG PRO A 245 39.306 -2.118 35.212 1.00112.31 C ATOM 1188 CD PRO A 245 38.767 -0.810 35.750 1.00118.87 C ATOM 0 HA PRO A 245 38.338 -3.001 37.722 1.00132.14 H new ATOM 0 HB2 PRO A 245 40.878 -2.509 36.484 1.00117.48 H new ATOM 0 HB3 PRO A 245 39.984 -3.765 36.246 1.00117.48 H new ATOM 0 HG2 PRO A 245 39.941 -1.963 34.496 1.00112.31 H new ATOM 0 HG3 PRO A 245 38.592 -2.663 34.845 1.00112.31 H new ATOM 0 HD2 PRO A 245 39.363 -0.070 35.553 1.00118.87 H new ATOM 0 HD3 PRO A 245 37.906 -0.592 35.361 1.00118.87 H new TER 1189 PRO A 245 HETATM 1190 C1 IPA A 246 25.589 27.449 70.322 1.00 60.61 C HETATM 1191 C2 IPA A 246 25.286 28.906 69.971 1.00 66.69 C HETATM 1192 C3 IPA A 246 24.221 28.975 68.899 1.00 63.73 C HETATM 1193 O2 IPA A 246 26.402 29.649 69.503 1.00 67.77 O HETATM 0 HO2 IPA A 246 26.163 30.435 69.329 1.00 67.77 H new HETATM 0 H33 IPA A 246 24.532 28.515 68.104 1.00 63.73 H new HETATM 0 H32 IPA A 246 23.410 28.551 69.221 1.00 63.73 H new HETATM 0 H31 IPA A 246 24.037 29.903 68.685 1.00 63.73 H new HETATM 0 H2 IPA A 246 24.996 29.303 70.807 1.00 66.69 H new HETATM 0 H13 IPA A 246 24.782 27.020 70.648 1.00 60.61 H new HETATM 0 H12 IPA A 246 25.905 26.984 69.531 1.00 60.61 H new HETATM 0 H11 IPA A 246 26.272 27.417 71.010 1.00 60.61 H new HETATM 1194 O1 SRT A 247 36.894 25.645 50.096 1.00 78.97 O HETATM 1195 O11 SRT A 247 35.901 25.186 48.160 1.00 80.36 O HETATM 1196 C1 SRT A 247 36.892 25.609 48.832 1.00 78.79 C HETATM 1197 C2 SRT A 247 38.107 26.131 48.087 1.00 75.69 C HETATM 1198 O2 SRT A 247 39.134 26.496 49.016 1.00 70.63 O HETATM 1199 C3 SRT A 247 38.609 25.136 47.020 1.00 75.43 C HETATM 1200 O3 SRT A 247 39.383 25.776 45.996 1.00 75.31 O HETATM 1201 C4 SRT A 247 39.465 24.070 47.629 1.00 76.16 C HETATM 1202 O4 SRT A 247 40.724 24.217 47.680 1.00 74.42 O HETATM 1203 O41 SRT A 247 38.838 23.077 48.053 1.00 76.86 O HETATM 0 HB SRT A 247 40.183 25.527 46.052 1.00 75.31 H new HETATM 0 HA SRT A 247 38.894 26.291 49.794 1.00 70.63 H new HETATM 0 H3 SRT A 247 37.809 24.751 46.629 1.00 75.43 H new HETATM 0 H2 SRT A 247 37.844 26.928 47.601 1.00 75.69 H new HETATM 1204 O HOH A 248 35.243 30.721 53.152 1.00 42.86 O HETATM 1205 O HOH A 249 33.133 15.380 63.128 1.00 42.55 O HETATM 1206 O HOH A 250 41.880 31.775 44.452 1.00 82.14 O HETATM 1207 O HOH A 251 28.539 17.751 55.867 1.00 48.77 O HETATM 1208 O HOH A 252 22.384 25.214 64.340 1.00 62.71 O HETATM 1209 O HOH A 253 35.273 20.949 71.661 1.00 51.59 O HETATM 1210 O HOH A 254 34.096 10.906 54.756 1.00 45.76 O HETATM 1211 O HOH A 255 39.496 32.821 61.592 1.00 61.97 O HETATM 1212 O HOH A 256 49.241 17.046 53.087 1.00 75.87 O HETATM 1213 O HOH A 257 22.665 20.855 50.966 1.00 53.57 O HETATM 1214 O HOH A 258 21.115 36.559 55.011 1.00 93.90 O HETATM 1215 O HOH A 259 48.401 32.407 57.373 1.00 94.47 O HETATM 1216 O HOH A 260 42.381 35.760 43.923 1.00 77.05 O HETATM 1217 O HOH A 261 44.438 38.403 59.002 1.00 86.63 O HETATM 1218 O HOH A 262 36.243 24.097 68.906 1.00 45.41 O HETATM 1219 O HOH A 263 26.989 42.228 43.715 1.00 99.64 O HETATM 1220 O HOH A 264 18.151 37.970 54.624 1.00 97.90 O HETATM 1221 O HOH A 265 20.440 35.360 52.749 1.00 90.96 O HETATM 1222 O HOH A 266 22.422 32.643 38.350 1.00 62.01 O HETATM 1223 O HOH A 267 43.894 28.361 65.641 1.00 75.38 O HETATM 1224 O HOH A 268 49.965 30.871 49.406 1.00102.77 O HETATM 1225 O HOH A 269 46.704 15.444 60.037 1.00 65.12 O HETATM 1226 O HOH A 270 46.454 15.662 51.919 1.00 63.09 O HETATM 1227 O HOH A 271 39.063 10.556 56.718 1.00 55.20 O HETATM 1228 O HOH A 272 35.174 19.451 48.146 1.00 65.64 O HETATM 1229 O HOH A 273 22.338 25.963 52.235 1.00 58.62 O HETATM 1230 O HOH A 274 35.670 15.090 63.932 1.00 40.86 O HETATM 1231 O HOH A 275 37.507 9.693 64.937 1.00 59.46 O HETATM 1232 O HOH A 276 42.894 24.301 47.546 1.00 60.21 O HETATM 1233 O HOH A 277 42.855 26.425 62.559 1.00 79.00 O HETATM 1234 O HOH A 278 36.404 26.611 73.132 1.00 64.31 O HETATM 1235 O HOH A 279 28.533 29.755 65.134 1.00 64.12 O HETATM 1236 O HOH A 280 24.356 26.887 62.115 1.00 69.68 O HETATM 1237 O HOH A 281 32.447 23.621 74.809 1.00 68.77 O HETATM 1238 O HOH A 282 31.448 10.871 56.457 1.00 64.72 O HETATM 1239 O HOH A 283 19.348 22.886 50.089 1.00 66.74 O HETATM 1240 O HOH A 284 16.938 41.160 47.004 1.00 73.45 O HETATM 1241 O HOH A 285 45.248 32.146 62.727 1.00 91.38 O HETATM 1242 O HOH A 286 22.828 26.198 68.417 1.00 67.66 O HETATM 1243 O HOH A 287 27.142 15.357 61.559 1.00 57.79 O HETATM 1244 O HOH A 288 38.370 39.023 32.195 1.00 86.22 O HETATM 1245 O HOH A 289 35.819 42.634 39.401 1.00 96.00 O HETATM 1246 O HOH A 290 45.151 28.912 67.623 1.00 72.07 O HETATM 1247 O HOH A 291 23.800 25.460 37.582 1.00 78.17 O HETATM 1248 O HOH A 292 35.423 37.238 67.845 1.00 50.54 O HETATM 1249 O HOH A 293 40.500 15.519 37.526 1.00 81.41 O HETATM 1250 O HOH A 294 31.722 43.322 40.385 1.00 78.45 O HETATM 1251 O HOH A 295 47.867 25.505 63.612 1.00101.67 O HETATM 1252 O HOH A 296 21.708 21.677 56.501 1.00 71.03 O HETATM 1253 O HOH A 297 32.997 20.775 39.090 1.00 73.32 O HETATM 1254 O HOH A 298 24.808 25.830 51.413 1.00 67.61 O HETATM 1255 O HOH A 299 27.522 16.736 54.322 1.00 52.55 O CONECT 376 381 CONECT 381 376 382 CONECT 382 381 383 385 CONECT 383 382 384 389 CONECT 384 383 CONECT 385 382 386 CONECT 386 385 387 CONECT 387 386 388 CONECT 388 387 CONECT 389 383 CONECT 610 616 CONECT 616 610 617 CONECT 617 616 618 620 CONECT 618 617 619 624 CONECT 619 618 CONECT 620 617 621 CONECT 621 620 622 CONECT 622 621 623 CONECT 623 622 CONECT 624 618 CONECT 887 892 CONECT 892 887 893 CONECT 893 892 894 896 CONECT 894 893 895 900 CONECT 895 894 CONECT 896 893 897 CONECT 897 896 898 CONECT 898 897 899 CONECT 899 898 CONECT 900 894 CONECT 1190 1191 CONECT 1191 1190 1192 1193 CONECT 1192 1191 CONECT 1193 1191 CONECT 1194 1196 CONECT 1195 1196 CONECT 1196 1194 1195 1197 CONECT 1197 1196 1198 1199 CONECT 1198 1197 CONECT 1199 1197 1200 1201 CONECT 1200 1199 CONECT 1201 1199 1202 1203 CONECT 1202 1201 CONECT 1203 1201 END