USER MOD reduce.3.24.130724 H: found=0, std=0, add=1054, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER UNKNOWN FUNCTION 17-JUN-05 2A15 TITLE X-RAY CRYSTAL STRUCTURE OF RV0760 FROM MYCOBACTERIUM TITLE 2 TUBERCULOSIS AT 1.68 ANGSTROM RESOLUTION COMPND MOL_ID: 1; COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN RV0760C; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 OTHER_DETAILS: SIMILARITY WITH PDB IDS 1BUQ, 1CQS, 1E3R, COMPND 6 1E3V, 1OH0 ETC. SUGGESTS THAT THIS PROTEIN IS KETOSTEROID COMPND 7 ISOMERASE SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; SOURCE 3 ORGANISM_TAXID: 1773; SOURCE 4 GENE: RV0760; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS BETA-ALPHA-BARREL, STRUCTURAL GENOMICS, PSI, PROTEIN KEYWDS 2 STRUCTURE INITIATIVE, TB STRUCTURAL GENOMICS CONSORTIUM, KEYWDS 3 TBSGC, UNKNOWN FUNCTION EXPDTA X-RAY DIFFRACTION AUTHOR C.R.GAREN,M.M.CHERNEY,M.N.G.JAMES,TB STRUCTURAL GENOMICS AUTHOR 2 CONSORTIUM (TBSGC) REVDAT 4 23-DEC-08 2A15 1 JRNL VERSN REVDAT 3 09-SEP-08 2A15 1 JRNL REVDAT 2 14-NOV-06 2A15 1 AUTHOR COMPND KEYWDS REMARK REVDAT 1 11-OCT-05 2A15 0 JRNL AUTH M.M.CHERNEY,C.R.GAREN,M.N.G.JAMES JRNL TITL CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS JRNL TITL 2 RV0760C AT 1.50 A RESOLUTION, A STRUCTURAL HOMOLOG JRNL TITL 3 OF DELTA(5)-3-KETOSTEROID ISOMERASE JRNL REF BIOCHIM.BIOPHYS.ACTA V.1784 1625 2008 JRNL REFN ISSN 0006-3002 JRNL PMID 18589008 JRNL DOI 10.1016/J.BBAPAP.2008.05.012 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 1.68 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.2 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.68 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 48.17 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.7 REMARK 3 NUMBER OF REFLECTIONS : 20320 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) : 0.178 REMARK 3 R VALUE (WORKING SET) : 0.176 REMARK 3 FREE R VALUE : 0.207 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 1076 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.68 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.72 REMARK 3 REFLECTION IN BIN (WORKING SET) : 1469 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 99.23 REMARK 3 BIN R VALUE (WORKING SET) : 0.2590 REMARK 3 BIN FREE R VALUE SET COUNT : 83 REMARK 3 BIN FREE R VALUE : 0.2660 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1059 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 9 REMARK 3 SOLVENT ATOMS : 190 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 21.64 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.54000 REMARK 3 B22 (A**2) : 0.54000 REMARK 3 B33 (A**2) : -0.82000 REMARK 3 B12 (A**2) : 0.27000 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): 0.087 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.088 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.061 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 1.813 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.962 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.949 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1096 ; 0.015 ; 0.022 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1490 ; 1.571 ; 1.926 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 132 ; 6.462 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 51 ;33.741 ;24.118 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 178 ;11.827 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 6 ;17.906 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 166 ; 0.135 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 832 ; 0.006 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 517 ; 0.208 ; 0.200 REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 744 ; 0.312 ; 0.200 REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 148 ; 0.158 ; 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): 36 ; 0.163 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 15 ; 0.161 ; 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): 676 ; 3.025 ; 3.000 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1083 ; 4.043 ; 4.000 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 477 ; 6.551 ; 8.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 405 ; 9.110 ;10.000 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: HYDROGENS HAVE BEEN ADDED IN THE REMARK 3 RIDING POSITIONS REMARK 4 REMARK 4 2A15 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 11-JUL-05. REMARK 100 THE RCSB ID CODE IS RCSB033361. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 20-APR-04 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ALS REMARK 200 BEAMLINE : 8.3.1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : NULL REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 4 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : ELVES REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 21399 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.680 REMARK 200 RESOLUTION RANGE LOW (A) : 48.170 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.7 REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.68 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.74 REMARK 200 COMPLETENESS FOR SHELL (%) : 99.3 REMARK 200 DATA REDUNDANCY IN SHELL : 7.60 REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: MOLREP REMARK 200 STARTING MODEL: THE MODEL WAS OBTAINED FROM A SAD SOLUTION FROM REMARK 200 THE DATA COLLECTED ON SEMET VARIANT OF THE SAME PROTEIN. REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 53.28 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.65 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 1.6 M NA, K PHOSPHATE, 100MM HEPES REMARK 280 BUFFER PH 7.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 297K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 32 1 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+2/3 REMARK 290 3555 -X+Y,-X,Z+1/3 REMARK 290 4555 -Y,-X,-Z+1/3 REMARK 290 5555 -X+Y,Y,-Z+2/3 REMARK 290 6555 X,X-Y,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 69.82667 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 34.91333 REMARK 290 SMTRY1 4 0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 4 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 34.91333 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 69.82667 REMARK 290 SMTRY1 6 0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 300 REMARK: THE BIOLOGICAL ASSEMBLY IS A DIMER GENERATED FROM THE REMARK 300 MONOMER IN THE ASYMMETRIC UNIT BY THE OPERATION: Y-X,Y,2/3-Z REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 2550 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 12390 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -0.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 2 0.500000 0.866025 0.000000 27.80000 REMARK 350 BIOMT2 2 0.866025 -0.500000 0.000000 -48.15101 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 MET A 1 REMARK 465 THR A 2 REMARK 465 GLN A 3 REMARK 465 THR A 4 REMARK 465 GLN A 138 REMARK 465 GLU A 139 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 ILE A 68 -52.71 -123.82 REMARK 500 SER A 83 -160.28 -102.45 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A1086 DISTANCE = 5.27 ANGSTROMS REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NCA A 1001 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: RV0760C RELATED DB: TARGETDB DBREF 2A15 A 1 139 UNP P71817 P71817_MYCTU 1 139 SEQRES 1 A 139 MET THR GLN THR THR GLN SER PRO ALA LEU ILE ALA SER SEQRES 2 A 139 GLN SER SER TRP ARG CYS VAL GLN ALA HIS ASP ARG GLU SEQRES 3 A 139 GLY TRP LEU ALA LEU MET ALA ASP ASP VAL VAL ILE GLU SEQRES 4 A 139 ASP PRO ILE GLY LYS SER VAL THR ASN PRO ASP GLY SER SEQRES 5 A 139 GLY ILE LYS GLY LYS GLU ALA VAL GLY ALA PHE PHE ASP SEQRES 6 A 139 THR HIS ILE ALA ALA ASN ARG LEU THR VAL THR CYS GLU SEQRES 7 A 139 GLU THR PHE PRO SER SER SER PRO ASP GLU ILE ALA HIS SEQRES 8 A 139 ILE LEU VAL LEU HIS SER GLU PHE ASP GLY GLY PHE THR SEQRES 9 A 139 SER GLU VAL ARG GLY VAL PHE THR TYR ARG VAL ASN LYS SEQRES 10 A 139 ALA GLY LEU ILE THR ASN MET ARG GLY TYR TRP ASN LEU SEQRES 11 A 139 ASP MET MET THR PHE GLY ASN GLN GLU HET NCA A1001 9 HETNAM NCA NICOTINAMIDE FORMUL 2 NCA C6 H6 N2 O FORMUL 3 HOH *190(H2 O) HELIX 1 1 SER A 7 ALA A 22 1 16 HELIX 2 2 ASP A 24 LEU A 31 1 8 HELIX 3 3 GLY A 56 ILE A 68 1 13 HELIX 4 4 ASN A 129 MET A 133 5 5 SHEET 1 A 6 ILE A 54 LYS A 55 0 SHEET 2 A 6 MET A 32 GLU A 39 -1 N ILE A 38 O ILE A 54 SHEET 3 A 6 ILE A 121 TYR A 127 1 O MET A 124 N GLU A 39 SHEET 4 A 6 PHE A 103 VAL A 115 -1 N VAL A 110 O TYR A 127 SHEET 5 A 6 GLU A 88 PHE A 99 -1 N LEU A 95 O VAL A 107 SHEET 6 A 6 THR A 74 PRO A 82 -1 N PHE A 81 O ALA A 90 SHEET 1 B 5 ILE A 54 LYS A 55 0 SHEET 2 B 5 MET A 32 GLU A 39 -1 N ILE A 38 O ILE A 54 SHEET 3 B 5 ILE A 121 TYR A 127 1 O MET A 124 N GLU A 39 SHEET 4 B 5 PHE A 103 VAL A 115 -1 N VAL A 110 O TYR A 127 SHEET 5 B 5 THR A 134 GLY A 136 -1 O THR A 134 N GLU A 106 CISPEP 1 ASP A 40 PRO A 41 0 0.21 SITE *** AC1 7 SER A 16 TRP A 17 TRP A 28 ASP A 40 SITE *** AC1 7 LEU A 73 TYR A 113 MET A 124 CRYST1 55.600 55.600 104.740 90.00 90.00 120.00 P 32 1 2 6 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 0.017986 0.010384 0.000000 0.00000 SCALE2 0.000000 0.020768 0.000000 0.00000 SCALE3 0.000000 0.000000 0.009547 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 105 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 133 MET CE A:methyl -161:sc= -1.36 (180deg=-2.44!) USER MOD Set 2.1: A 122 THR OG1 : rot -80:sc= 0.182 USER MOD Set 2.2: A 123 ASN : amide:sc= 2 K(o=2.2,f=3.6) USER MOD Set 3.1: A 13 SER OG A: rot -73:sc= 1.24 USER MOD Set 3.2: A 13 SER OG B: rot 155:sc= 1.45 USER MOD Set 3.3: A 80 THR OG1 : rot 166:sc= 1.59 USER MOD Set 3.4: A 91 HIS : no HE2:sc= 1.18 K(o=5.5,f=-5.7!) USER MOD Set 4.1: A 6 GLN : amide:sc= 1.04 K(o=-0.28,f=-0.82) USER MOD Set 4.2: A 14 GLN : amide:sc= -1.33 X(o=-0.28,f=0.11!) USER MOD Single : A 5 THR OG1 : rot -36:sc= 0.0625 USER MOD Single : A 7 SER OG A: rot 112:sc= 1.17 USER MOD Single : A 7 SER OG B: rot -131:sc= 1.98 USER MOD Single : A 15 SER OG : rot 91:sc= 1.81 USER MOD Single : A 16 SER OG : rot -49:sc= 2.31 USER MOD Single : A 19 CYS SG : rot 160:sc=-0.00913 USER MOD Single : A 21 GLN A: amide:sc= 1.39 K(o=1.4,f=-2.9) USER MOD Single : A 21 GLN B: amide:sc= 0.0329 X(o=0.033,f=0.42) USER MOD Single : A 23 HIS : no HD1:sc= 0.791 K(o=0.79,f=-0.35) USER MOD Single : A 32 MET CE :methyl 176:sc= 0 (180deg=-0.0167) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 104:sc= 2.14 USER MOD Single : A 47 THR OG1 : rot 108:sc= 2.21 USER MOD Single : A 48 ASN : amide:sc= 2.24 K(o=2.2,f=-4.8!) USER MOD Single : A 52 SER OG : rot -43:sc= 0.553 USER MOD Single : A 55 LYS NZ :NH3+ -129:sc= 0.722 (180deg=-0.254) USER MOD Single : A 57 LYS NZ :NH3+ 146:sc= 0.773 (180deg=0.495) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= 0.893 K(o=0.89,f=-3.1!) USER MOD Single : A 71 ASN : amide:sc= -4.2! K(o=-4.2!,f=-0.016) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.94 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot 135:sc= 0.199 USER MOD Single : A 83 SER OG : rot -86:sc= 1.02 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 170:sc= 0.282 USER MOD Single : A 96 HIS A: no HD1:sc= 1.06 K(o=1.1,f=-3.3!) USER MOD Single : A 96 HIS B: no HD1:sc= -4.74! C(o=-4.7!,f=-9.9!) USER MOD Single : A 97 SER OG : rot -88:sc= 0.0999 USER MOD Single : A 104 THR OG1 : rot 90:sc= 0.0254 USER MOD Single : A 112 THR OG1 : rot -162:sc= 1.96 USER MOD Single : A 113 TYR OH : rot 130:sc= 0.104 USER MOD Single : A 116 ASN : amide:sc= 0.35 K(o=0.35,f=-4.9!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 MET CE A:methyl -116:sc= -0.259 (180deg=-0.358) USER MOD Single : A 124 MET CE B:methyl 138:sc= -1.01 (180deg=-2.35) USER MOD Single : A 127 TYR OH : rot 8:sc= 2.4 USER MOD Single : A 129 ASN : amide:sc= -0.496 K(o=-0.5,f=-5!) USER MOD Single : A 132 MET CE :methyl 177:sc= 0 (180deg=-0.00848) USER MOD Single : A 133 MET CE B:methyl -158:sc= -1.49 (180deg=-2.07) USER MOD Single : A 134 THR OG1 : rot 15:sc= 0.677 USER MOD Single : A 137 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 5 7.928 -21.807 22.755 1.00 52.81 N ATOM 2 CA THR A 5 7.744 -20.557 21.960 1.00 48.60 C ATOM 3 C THR A 5 8.234 -20.718 20.523 1.00 45.21 C ATOM 4 O THR A 5 9.059 -21.584 20.217 1.00 47.41 O ATOM 5 CB THR A 5 8.448 -19.330 22.600 1.00 49.18 C ATOM 6 OG1 THR A 5 9.834 -19.624 22.833 1.00 54.77 O ATOM 7 CG2 THR A 5 7.767 -18.929 23.905 1.00 49.78 C ATOM 0 HA THR A 5 6.788 -20.394 21.956 1.00 48.60 H new ATOM 0 HB THR A 5 8.381 -18.584 21.983 1.00 49.18 H new ATOM 0 HG1 THR A 5 9.916 -20.428 23.061 1.00 54.77 H new ATOM 0 HG21 THR A 5 8.223 -18.162 24.286 1.00 49.78 H new ATOM 0 HG22 THR A 5 6.841 -18.700 23.730 1.00 49.78 H new ATOM 0 HG23 THR A 5 7.804 -19.670 24.530 1.00 49.78 H new ATOM 8 N GLN A 6 7.724 -19.847 19.656 1.00 36.99 N ATOM 9 CA GLN A 6 7.972 -19.903 18.220 1.00 30.13 C ATOM 10 C GLN A 6 9.353 -19.420 17.829 1.00 23.63 C ATOM 11 O GLN A 6 9.937 -18.540 18.478 1.00 22.33 O ATOM 12 CB GLN A 6 6.942 -19.047 17.534 1.00 29.80 C ATOM 13 CG GLN A 6 5.531 -19.540 17.755 1.00 33.07 C ATOM 14 CD GLN A 6 4.558 -18.703 16.990 1.00 33.76 C ATOM 15 OE1 GLN A 6 4.734 -17.480 16.882 1.00 33.87 O ATOM 16 NE2 GLN A 6 3.539 -19.344 16.419 1.00 39.65 N ATOM 0 H GLN A 6 7.215 -19.195 19.891 1.00 36.99 H new ATOM 0 HA GLN A 6 7.914 -20.832 17.948 1.00 30.13 H new ATOM 0 HB2 GLN A 6 7.017 -18.136 17.858 1.00 29.80 H new ATOM 0 HB3 GLN A 6 7.127 -19.025 16.582 1.00 29.80 H new ATOM 0 HG2 GLN A 6 5.459 -20.466 17.476 1.00 33.07 H new ATOM 0 HG3 GLN A 6 5.317 -19.511 18.701 1.00 33.07 H new ATOM 0 HE21 GLN A 6 3.455 -20.194 16.520 1.00 39.65 H new ATOM 0 HE22 GLN A 6 2.965 -18.908 15.950 1.00 39.65 H new ATOM 17 N SER A 7 9.891 -19.980 16.738 1.00 19.04 N ATOM 18 CA SER A 7 11.225 -19.638 16.322 1.00 16.94 C ATOM 19 C SER A 7 11.236 -18.231 15.676 1.00 14.87 C ATOM 20 O SER A 7 10.195 -17.800 15.178 1.00 17.30 O ATOM 21 CB ASER A 7 11.773 -20.655 15.311 0.50 18.44 C ATOM 22 CB BSER A 7 11.677 -20.669 15.276 0.50 19.20 C ATOM 23 OG ASER A 7 11.460 -20.203 14.002 0.50 12.74 O ATOM 24 OG BSER A 7 10.704 -20.735 14.230 0.50 10.22 O ATOM 0 H SER A 7 9.492 -20.555 16.238 1.00 19.04 H new ATOM 0 HA SER A 7 11.790 -19.647 17.111 1.00 16.94 H new ATOM 0 HB2ASER A 7 12.733 -20.749 15.414 0.50 19.20 H new ATOM 0 HB2BSER A 7 12.541 -20.420 14.913 0.50 19.20 H new ATOM 0 HB3ASER A 7 11.384 -21.529 15.468 0.50 19.20 H new ATOM 0 HB3BSER A 7 11.783 -21.540 15.689 0.50 19.20 H new ATOM 0 HG ASER A 7 12.167 -19.991 13.602 0.50 10.22 H new ATOM 0 HG BSER A 7 10.510 -21.538 14.078 0.50 10.22 H new ATOM 25 N PRO A 8 12.394 -17.549 15.658 1.00 14.20 N ATOM 26 CA PRO A 8 12.497 -16.260 14.977 1.00 16.63 C ATOM 27 C PRO A 8 12.105 -16.383 13.498 1.00 19.26 C ATOM 28 O PRO A 8 11.479 -15.484 12.951 1.00 16.27 O ATOM 29 CB PRO A 8 13.987 -15.936 15.060 1.00 18.60 C ATOM 30 CG PRO A 8 14.458 -16.656 16.302 1.00 24.10 C ATOM 31 CD PRO A 8 13.670 -17.911 16.322 1.00 17.71 C ATOM 0 HA PRO A 8 11.917 -15.591 15.373 1.00 16.63 H new ATOM 0 HB2 PRO A 8 14.461 -16.244 14.271 1.00 18.60 H new ATOM 0 HB3 PRO A 8 14.138 -14.980 15.126 1.00 18.60 H new ATOM 0 HG2 PRO A 8 15.410 -16.837 16.266 1.00 24.10 H new ATOM 0 HG3 PRO A 8 14.300 -16.126 17.099 1.00 24.10 H new ATOM 0 HD2 PRO A 8 14.126 -18.624 15.848 1.00 17.71 H new ATOM 0 HD3 PRO A 8 13.522 -18.222 17.229 1.00 17.71 H new ATOM 32 N ALA A 9 12.482 -17.483 12.859 1.00 15.63 N ATOM 33 CA ALA A 9 12.042 -17.665 11.442 1.00 15.17 C ATOM 34 C ALA A 9 10.551 -17.796 11.259 1.00 15.65 C ATOM 35 O ALA A 9 9.997 -17.228 10.272 1.00 15.48 O ATOM 36 CB ALA A 9 12.822 -18.838 10.748 1.00 12.55 C ATOM 0 H ALA A 9 12.965 -18.114 13.188 1.00 15.63 H new ATOM 0 HA ALA A 9 12.272 -16.836 10.994 1.00 15.17 H new ATOM 0 HB1 ALA A 9 12.517 -18.933 9.832 1.00 12.55 H new ATOM 0 HB2 ALA A 9 13.772 -18.643 10.753 1.00 12.55 H new ATOM 0 HB3 ALA A 9 12.660 -19.664 11.230 1.00 12.55 H new ATOM 37 N LEU A 10 9.864 -18.535 12.160 1.00 11.31 N ATOM 38 CA LEU A 10 8.465 -18.726 12.052 1.00 14.45 C ATOM 39 C LEU A 10 7.782 -17.379 12.342 1.00 16.16 C ATOM 40 O LEU A 10 6.861 -16.991 11.646 1.00 16.20 O ATOM 41 CB LEU A 10 7.967 -19.768 13.033 1.00 15.30 C ATOM 42 CG LEU A 10 6.469 -20.041 12.942 1.00 14.87 C ATOM 43 CD1 LEU A 10 5.985 -20.459 11.551 1.00 18.37 C ATOM 44 CD2 LEU A 10 6.030 -21.067 14.019 1.00 18.92 C ATOM 0 H LEU A 10 10.225 -18.925 12.837 1.00 11.31 H new ATOM 0 HA LEU A 10 8.254 -19.042 11.159 1.00 14.45 H new ATOM 0 HB2 LEU A 10 8.447 -20.597 12.881 1.00 15.30 H new ATOM 0 HB3 LEU A 10 8.179 -19.478 13.934 1.00 15.30 H new ATOM 0 HG LEU A 10 6.038 -19.190 13.116 1.00 14.87 H new ATOM 0 HD11 LEU A 10 5.028 -20.614 11.574 1.00 18.37 H new ATOM 0 HD12 LEU A 10 6.183 -19.755 10.914 1.00 18.37 H new ATOM 0 HD13 LEU A 10 6.437 -21.274 11.282 1.00 18.37 H new ATOM 0 HD21 LEU A 10 5.076 -21.227 13.944 1.00 18.92 H new ATOM 0 HD22 LEU A 10 6.508 -21.900 13.886 1.00 18.92 H new ATOM 0 HD23 LEU A 10 6.231 -20.717 14.901 1.00 18.92 H new ATOM 45 N ILE A 11 8.254 -16.691 13.378 1.00 15.58 N ATOM 46 CA ILE A 11 7.697 -15.365 13.700 1.00 17.20 C ATOM 47 C ILE A 11 7.762 -14.391 12.517 1.00 17.96 C ATOM 48 O ILE A 11 6.747 -13.783 12.168 1.00 17.92 O ATOM 49 CB ILE A 11 8.344 -14.764 14.962 1.00 18.19 C ATOM 50 CG1 ILE A 11 7.899 -15.600 16.165 1.00 19.37 C ATOM 51 CG2 ILE A 11 7.883 -13.271 15.115 1.00 20.61 C ATOM 52 CD1 ILE A 11 8.690 -15.363 17.439 1.00 23.28 C ATOM 0 H ILE A 11 8.882 -16.960 13.900 1.00 15.58 H new ATOM 0 HA ILE A 11 6.756 -15.506 13.891 1.00 17.20 H new ATOM 0 HB ILE A 11 9.312 -14.778 14.900 1.00 18.19 H new ATOM 0 HG12 ILE A 11 6.963 -15.415 16.342 1.00 19.37 H new ATOM 0 HG13 ILE A 11 7.963 -16.539 15.931 1.00 19.37 H new ATOM 0 HG21 ILE A 11 8.287 -12.887 15.909 1.00 20.61 H new ATOM 0 HG22 ILE A 11 8.159 -12.765 14.335 1.00 20.61 H new ATOM 0 HG23 ILE A 11 6.917 -13.237 15.196 1.00 20.61 H new ATOM 0 HD11 ILE A 11 8.343 -15.930 18.146 1.00 23.28 H new ATOM 0 HD12 ILE A 11 9.624 -15.574 17.284 1.00 23.28 H new ATOM 0 HD13 ILE A 11 8.609 -14.433 17.702 1.00 23.28 H new ATOM 53 N ALA A 12 8.933 -14.307 11.897 1.00 14.20 N ATOM 54 CA ALA A 12 9.199 -13.399 10.764 1.00 14.43 C ATOM 55 C ALA A 12 8.337 -13.798 9.572 1.00 17.17 C ATOM 56 O ALA A 12 7.707 -12.944 8.957 1.00 14.77 O ATOM 57 CB ALA A 12 10.648 -13.337 10.415 1.00 16.94 C ATOM 0 H ALA A 12 9.614 -14.782 12.121 1.00 14.20 H new ATOM 0 HA ALA A 12 8.956 -12.499 11.032 1.00 14.43 H new ATOM 0 HB1 ALA A 12 10.776 -12.731 9.668 1.00 16.94 H new ATOM 0 HB2 ALA A 12 11.152 -13.018 11.180 1.00 16.94 H new ATOM 0 HB3 ALA A 12 10.960 -14.222 10.170 1.00 16.94 H new ATOM 58 N SER A 13 8.268 -15.095 9.251 1.00 17.32 N ATOM 59 CA SER A 13 7.448 -15.475 8.100 1.00 15.67 C ATOM 60 C SER A 13 5.949 -15.283 8.336 1.00 17.06 C ATOM 61 O SER A 13 5.263 -14.714 7.487 1.00 18.83 O ATOM 62 CB ASER A 13 7.794 -16.850 7.520 0.35 20.80 C ATOM 63 CB BSER A 13 7.774 -16.935 7.695 0.65 20.01 C ATOM 64 OG ASER A 13 8.282 -17.698 8.509 0.35 4.39 O ATOM 65 OG BSER A 13 7.226 -17.866 8.608 0.65 16.57 O ATOM 0 H SER A 13 8.665 -15.737 9.662 1.00 17.32 H new ATOM 0 HA SER A 13 7.688 -14.842 7.405 1.00 15.67 H new ATOM 0 HB2ASER A 13 7.005 -17.241 7.114 0.35 20.01 H new ATOM 0 HB2BSER A 13 7.426 -17.110 6.806 0.65 20.01 H new ATOM 0 HB3ASER A 13 8.456 -16.752 6.818 0.35 20.01 H new ATOM 0 HB3BSER A 13 8.736 -17.052 7.651 0.65 20.01 H new ATOM 0 HG ASER A 13 9.061 -17.465 8.719 0.35 16.57 H new ATOM 0 HG BSER A 13 7.102 -18.600 8.219 0.65 16.57 H new ATOM 66 N GLN A 14 5.427 -15.712 9.490 1.00 15.87 N ATOM 67 CA GLN A 14 4.035 -15.476 9.797 1.00 15.88 C ATOM 68 C GLN A 14 3.744 -13.974 9.852 1.00 18.53 C ATOM 69 O GLN A 14 2.718 -13.532 9.331 1.00 19.29 O ATOM 70 CB GLN A 14 3.627 -16.161 11.089 1.00 21.34 C ATOM 71 CG GLN A 14 3.616 -17.671 10.961 1.00 20.55 C ATOM 72 CD GLN A 14 3.035 -18.368 12.178 1.00 27.89 C ATOM 73 OE1 GLN A 14 3.156 -17.880 13.292 1.00 27.07 O ATOM 74 NE2 GLN A 14 2.419 -19.533 11.961 1.00 31.06 N ATOM 0 H GLN A 14 5.866 -16.136 10.096 1.00 15.87 H new ATOM 0 HA GLN A 14 3.502 -15.863 9.085 1.00 15.88 H new ATOM 0 HB2 GLN A 14 4.238 -15.903 11.796 1.00 21.34 H new ATOM 0 HB3 GLN A 14 2.745 -15.854 11.351 1.00 21.34 H new ATOM 0 HG2 GLN A 14 3.102 -17.920 10.177 1.00 20.55 H new ATOM 0 HG3 GLN A 14 4.523 -17.985 10.818 1.00 20.55 H new ATOM 0 HE21 GLN A 14 2.354 -19.843 11.161 1.00 31.06 H new ATOM 0 HE22 GLN A 14 2.087 -19.973 12.621 1.00 31.06 H new ATOM 75 N SER A 15 4.660 -13.194 10.432 1.00 18.26 N ATOM 76 CA SER A 15 4.447 -11.741 10.481 1.00 18.05 C ATOM 77 C SER A 15 4.392 -11.134 9.088 1.00 18.58 C ATOM 78 O SER A 15 3.571 -10.251 8.847 1.00 16.96 O ATOM 79 CB SER A 15 5.499 -11.021 11.319 1.00 18.05 C ATOM 80 OG SER A 15 5.268 -11.351 12.681 1.00 18.12 O ATOM 0 H SER A 15 5.389 -13.473 10.793 1.00 18.26 H new ATOM 0 HA SER A 15 3.587 -11.614 10.912 1.00 18.05 H new ATOM 0 HB2 SER A 15 6.391 -11.291 11.050 1.00 18.05 H new ATOM 0 HB3 SER A 15 5.441 -10.062 11.187 1.00 18.05 H new ATOM 0 HG SER A 15 5.709 -12.037 12.882 1.00 18.12 H new ATOM 81 N SER A 16 5.238 -11.634 8.183 1.00 14.36 N ATOM 82 CA SER A 16 5.274 -11.092 6.836 1.00 15.65 C ATOM 83 C SER A 16 3.910 -11.247 6.129 1.00 19.10 C ATOM 84 O SER A 16 3.438 -10.291 5.498 1.00 19.33 O ATOM 85 CB SER A 16 6.446 -11.683 6.036 1.00 16.16 C ATOM 86 OG SER A 16 6.165 -13.018 5.624 1.00 18.05 O ATOM 0 H SER A 16 5.789 -12.277 8.332 1.00 14.36 H new ATOM 0 HA SER A 16 5.436 -10.137 6.893 1.00 15.65 H new ATOM 0 HB2 SER A 16 6.621 -11.131 5.258 1.00 16.16 H new ATOM 0 HB3 SER A 16 7.250 -11.671 6.578 1.00 16.16 H new ATOM 0 HG SER A 16 5.891 -13.463 6.282 1.00 18.05 H new ATOM 87 N TRP A 17 3.240 -12.401 6.291 1.00 18.02 N ATOM 88 CA TRP A 17 1.918 -12.582 5.664 1.00 20.78 C ATOM 89 C TRP A 17 0.830 -11.776 6.355 1.00 20.35 C ATOM 90 O TRP A 17 -0.056 -11.265 5.708 1.00 20.27 O ATOM 91 CB ATRP A 17 1.558 -13.982 5.129 0.35 25.91 C ATOM 92 CB BTRP A 17 1.454 -14.048 5.820 0.65 23.32 C ATOM 93 CG ATRP A 17 1.613 -15.129 6.050 0.35 12.80 C ATOM 94 CG BTRP A 17 2.511 -15.092 5.600 0.65 12.05 C ATOM 95 CD1ATRP A 17 0.722 -15.439 7.017 0.35 20.84 C ATOM 96 CD1BTRP A 17 3.546 -15.019 4.739 0.65 16.18 C ATOM 97 CD2ATRP A 17 2.582 -16.191 6.030 0.35 26.11 C ATOM 98 CD2BTRP A 17 2.632 -16.360 6.280 0.65 12.17 C ATOM 99 NE1ATRP A 17 1.084 -16.614 7.640 0.35 24.59 N ATOM 100 NE1BTRP A 17 4.300 -16.163 4.801 0.65 11.55 N ATOM 101 CE2ATRP A 17 2.225 -17.095 7.050 0.35 17.81 C ATOM 102 CE2BTRP A 17 3.760 -17.009 5.738 0.65 21.62 C ATOM 103 CE3ATRP A 17 3.723 -16.457 5.254 0.35 7.05 C ATOM 104 CE3BTRP A 17 1.854 -17.027 7.244 0.65 15.97 C ATOM 105 CZ2ATRP A 17 2.976 -18.250 7.331 0.35 23.27 C ATOM 106 CZ2BTRP A 17 4.174 -18.282 6.165 0.65 20.09 C ATOM 107 CZ3ATRP A 17 4.470 -17.604 5.530 0.35 14.96 C ATOM 108 CZ3BTRP A 17 2.266 -18.299 7.685 0.65 13.29 C ATOM 109 CH2ATRP A 17 4.087 -18.488 6.558 0.35 15.04 C ATOM 110 CH2BTRP A 17 3.430 -18.899 7.143 0.65 12.75 C ATOM 0 H TRP A 17 3.524 -13.073 6.747 1.00 18.02 H new ATOM 0 HA TRP A 17 2.004 -12.164 4.793 1.00 20.78 H new ATOM 0 HB2ATRP A 17 0.658 -13.937 4.770 0.35 23.32 H new ATOM 0 HB2BTRP A 17 1.091 -14.162 6.712 0.65 23.32 H new ATOM 0 HB3ATRP A 17 2.151 -14.174 4.386 0.35 23.32 H new ATOM 0 HB3BTRP A 17 0.729 -14.209 5.196 0.65 23.32 H new ATOM 0 HD1ATRP A 17 -0.028 -14.932 7.231 0.35 16.18 H new ATOM 0 HD1BTRP A 17 3.723 -14.296 4.182 0.65 16.18 H new ATOM 0 HE1ATRP A 17 0.663 -16.985 8.292 0.35 11.55 H new ATOM 0 HE1BTRP A 17 5.000 -16.325 4.328 0.65 11.55 H new ATOM 0 HE3ATRP A 17 3.976 -15.880 4.570 0.35 15.97 H new ATOM 0 HE3BTRP A 17 1.082 -16.635 7.584 0.65 15.97 H new ATOM 0 HZ2ATRP A 17 2.730 -18.831 8.014 0.35 20.09 H new ATOM 0 HZ2BTRP A 17 4.924 -18.692 5.799 0.65 20.09 H new ATOM 0 HZ3ATRP A 17 5.231 -17.787 5.028 0.35 13.29 H new ATOM 0 HZ3BTRP A 17 1.773 -18.747 8.334 0.65 13.29 H new ATOM 0 HH2ATRP A 17 4.597 -19.249 6.717 0.35 12.75 H new ATOM 0 HH2BTRP A 17 3.698 -19.732 7.457 0.65 12.75 H new ATOM 111 N ARG A 18 0.933 -11.667 7.668 1.00 21.94 N ATOM 112 CA ARG A 18 0.025 -10.839 8.446 1.00 21.95 C ATOM 113 C ARG A 18 0.089 -9.389 7.948 1.00 18.31 C ATOM 114 O ARG A 18 -0.953 -8.745 7.779 1.00 20.51 O ATOM 115 CB ARG A 18 0.387 -10.944 9.924 1.00 24.91 C ATOM 116 CG ARG A 18 -0.262 -12.162 10.515 1.00 39.43 C ATOM 117 CD ARG A 18 0.424 -12.660 11.754 1.00 57.31 C ATOM 118 NE ARG A 18 -0.049 -13.999 12.101 1.00 64.81 N ATOM 119 CZ ARG A 18 0.505 -14.779 13.022 1.00 69.03 C ATOM 120 NH1 ARG A 18 -0.004 -15.981 13.258 1.00 76.30 N ATOM 121 NH2 ARG A 18 1.562 -14.361 13.710 1.00 71.59 N ATOM 0 H ARG A 18 1.531 -12.071 8.136 1.00 21.94 H new ATOM 0 HA ARG A 18 -0.887 -11.149 8.335 1.00 21.95 H new ATOM 0 HB2 ARG A 18 1.350 -10.997 10.028 1.00 24.91 H new ATOM 0 HB3 ARG A 18 0.094 -10.149 10.396 1.00 24.91 H new ATOM 0 HG2 ARG A 18 -1.187 -11.958 10.725 1.00 39.43 H new ATOM 0 HG3 ARG A 18 -0.271 -12.870 9.852 1.00 39.43 H new ATOM 0 HD2 ARG A 18 1.384 -12.677 11.614 1.00 57.31 H new ATOM 0 HD3 ARG A 18 0.255 -12.051 12.490 1.00 57.31 H new ATOM 0 HE ARG A 18 -0.734 -14.303 11.679 1.00 64.81 H new ATOM 0 HH11 ARG A 18 -0.690 -16.252 12.815 1.00 76.30 H new ATOM 0 HH12 ARG A 18 0.352 -16.489 13.854 1.00 76.30 H new ATOM 0 HH21 ARG A 18 1.892 -13.581 13.560 1.00 71.59 H new ATOM 0 HH22 ARG A 18 1.917 -14.870 14.305 1.00 71.59 H new ATOM 122 N CYS A 19 1.301 -8.890 7.710 1.00 17.54 N ATOM 123 CA CYS A 19 1.447 -7.513 7.211 1.00 19.30 C ATOM 124 C CYS A 19 0.895 -7.381 5.782 1.00 20.89 C ATOM 125 O CYS A 19 0.277 -6.362 5.427 1.00 20.05 O ATOM 126 CB CYS A 19 2.892 -7.066 7.260 1.00 17.95 C ATOM 127 SG CYS A 19 3.523 -6.763 8.925 1.00 20.81 S ATOM 0 H CYS A 19 2.038 -9.317 7.826 1.00 17.54 H new ATOM 0 HA CYS A 19 0.929 -6.935 7.793 1.00 19.30 H new ATOM 0 HB2 CYS A 19 3.443 -7.742 6.835 1.00 17.95 H new ATOM 0 HB3 CYS A 19 2.986 -6.254 6.738 1.00 17.95 H new ATOM 0 HG CYS A 19 4.722 -6.803 8.912 1.00 20.81 H new ATOM 128 N VAL A 20 1.095 -8.418 4.961 1.00 18.53 N ATOM 129 CA VAL A 20 0.488 -8.421 3.637 1.00 20.29 C ATOM 130 C VAL A 20 -1.031 -8.315 3.783 1.00 21.00 C ATOM 131 O VAL A 20 -1.670 -7.475 3.132 1.00 22.28 O ATOM 132 CB VAL A 20 0.919 -9.646 2.752 1.00 15.03 C ATOM 133 CG1 VAL A 20 0.063 -9.730 1.462 1.00 19.80 C ATOM 134 CG2 VAL A 20 2.408 -9.523 2.373 1.00 14.81 C ATOM 0 H VAL A 20 1.568 -9.111 5.150 1.00 18.53 H new ATOM 0 HA VAL A 20 0.818 -7.647 3.155 1.00 20.29 H new ATOM 0 HB VAL A 20 0.779 -10.455 3.269 1.00 15.03 H new ATOM 0 HG11 VAL A 20 0.347 -10.492 0.934 1.00 19.80 H new ATOM 0 HG12 VAL A 20 -0.872 -9.833 1.700 1.00 19.80 H new ATOM 0 HG13 VAL A 20 0.177 -8.918 0.944 1.00 19.80 H new ATOM 0 HG21 VAL A 20 2.667 -10.282 1.827 1.00 14.81 H new ATOM 0 HG22 VAL A 20 2.548 -8.703 1.874 1.00 14.81 H new ATOM 0 HG23 VAL A 20 2.947 -9.506 3.179 1.00 14.81 H new ATOM 135 N GLN A 21 -1.614 -9.148 4.639 1.00 19.80 N ATOM 136 CA GLN A 21 -3.079 -9.219 4.758 1.00 20.43 C ATOM 137 C GLN A 21 -3.632 -7.900 5.342 1.00 18.22 C ATOM 138 O GLN A 21 -4.723 -7.460 4.975 1.00 24.55 O ATOM 139 CB AGLN A 21 -3.568 -10.463 5.519 0.65 20.53 C ATOM 140 CB BGLN A 21 -3.467 -10.370 5.699 0.35 17.45 C ATOM 141 CG AGLN A 21 -3.146 -11.823 4.907 0.65 26.54 C ATOM 142 CG BGLN A 21 -4.927 -10.851 5.596 0.35 19.58 C ATOM 143 CD AGLN A 21 -3.756 -12.201 3.523 0.65 33.66 C ATOM 144 CD BGLN A 21 -5.937 -10.011 6.376 0.35 25.78 C ATOM 145 OE1AGLN A 21 -3.062 -12.187 2.503 0.65 12.79 O ATOM 146 OE1BGLN A 21 -7.098 -9.905 5.978 0.35 24.10 O ATOM 147 NE2AGLN A 21 -5.025 -12.599 3.514 0.65 34.58 N ATOM 148 NE2BGLN A 21 -5.505 -9.418 7.485 0.35 26.03 N ATOM 0 H GLN A 21 -1.186 -9.681 5.161 1.00 19.80 H new ATOM 0 HA GLN A 21 -3.440 -9.324 3.864 1.00 20.43 H new ATOM 0 HB2AGLN A 21 -3.236 -10.418 6.429 0.65 17.45 H new ATOM 0 HB2BGLN A 21 -2.882 -11.123 5.521 0.35 17.45 H new ATOM 0 HB3AGLN A 21 -4.536 -10.434 5.568 0.65 17.45 H new ATOM 0 HB3BGLN A 21 -3.299 -10.090 6.612 0.35 17.45 H new ATOM 0 HG2AGLN A 21 -2.180 -11.827 4.821 0.65 19.58 H new ATOM 0 HG2BGLN A 21 -5.186 -10.859 4.661 0.35 19.58 H new ATOM 0 HG3AGLN A 21 -3.378 -12.522 5.539 0.65 19.58 H new ATOM 0 HG3BGLN A 21 -4.975 -11.767 5.912 0.35 19.58 H new ATOM 0 HE21AGLN A 21 -5.482 -12.597 4.243 0.65 26.03 H new ATOM 0 HE21BGLN A 21 -4.687 -9.514 7.733 0.35 26.03 H new ATOM 0 HE22AGLN A 21 -5.389 -12.859 2.779 0.65 26.03 H new ATOM 0 HE22BGLN A 21 -6.043 -8.939 7.954 0.35 26.03 H new ATOM 149 N ALA A 22 -2.845 -7.278 6.213 1.00 17.96 N ATOM 150 CA ALA A 22 -3.215 -6.011 6.856 1.00 17.59 C ATOM 151 C ALA A 22 -2.944 -4.791 5.966 1.00 22.62 C ATOM 152 O ALA A 22 -3.172 -3.639 6.392 1.00 21.74 O ATOM 153 CB ALA A 22 -2.473 -5.883 8.170 1.00 19.33 C ATOM 0 H ALA A 22 -2.075 -7.578 6.452 1.00 17.96 H new ATOM 0 HA ALA A 22 -4.172 -6.028 7.013 1.00 17.59 H new ATOM 0 HB1 ALA A 22 -2.715 -5.047 8.598 1.00 19.33 H new ATOM 0 HB2 ALA A 22 -2.711 -6.623 8.750 1.00 19.33 H new ATOM 0 HB3 ALA A 22 -1.517 -5.897 8.005 1.00 19.33 H new ATOM 154 N HIS A 23 -2.414 -5.018 4.756 1.00 15.98 N ATOM 155 CA HIS A 23 -2.050 -3.898 3.861 1.00 15.96 C ATOM 156 C HIS A 23 -1.104 -2.926 4.522 1.00 22.42 C ATOM 157 O HIS A 23 -1.289 -1.699 4.457 1.00 18.66 O ATOM 158 CB HIS A 23 -3.319 -3.156 3.350 1.00 18.21 C ATOM 159 CG HIS A 23 -4.306 -4.024 2.627 1.00 26.05 C ATOM 160 ND1 HIS A 23 -3.981 -5.240 2.065 1.00 39.25 N ATOM 161 CD2 HIS A 23 -5.614 -3.821 2.341 1.00 44.47 C ATOM 162 CE1 HIS A 23 -5.053 -5.759 1.491 1.00 29.37 C ATOM 163 NE2 HIS A 23 -6.054 -4.914 1.638 1.00 40.27 N ATOM 0 H HIS A 23 -2.258 -5.800 4.435 1.00 15.98 H new ATOM 0 HA HIS A 23 -1.588 -4.285 3.101 1.00 15.96 H new ATOM 0 HB2 HIS A 23 -3.764 -2.743 4.107 1.00 18.21 H new ATOM 0 HB3 HIS A 23 -3.043 -2.439 2.758 1.00 18.21 H new ATOM 0 HD2 HIS A 23 -6.121 -3.078 2.577 1.00 44.47 H new ATOM 0 HE1 HIS A 23 -5.094 -6.581 1.057 1.00 29.37 H new ATOM 0 HE2 HIS A 23 -6.853 -5.029 1.341 1.00 40.27 H new ATOM 164 N ASP A 24 -0.070 -3.470 5.165 1.00 15.15 N ATOM 165 CA ASP A 24 0.791 -2.668 6.035 1.00 16.97 C ATOM 166 C ASP A 24 2.223 -2.634 5.543 1.00 18.42 C ATOM 167 O ASP A 24 3.051 -3.460 5.925 1.00 15.65 O ATOM 168 CB ASP A 24 0.652 -3.166 7.485 1.00 19.49 C ATOM 169 CG ASP A 24 1.571 -2.448 8.477 1.00 22.69 C ATOM 170 OD1 ASP A 24 2.147 -1.368 8.184 1.00 19.85 O ATOM 171 OD2 ASP A 24 1.737 -3.011 9.592 1.00 26.12 O ATOM 0 H ASP A 24 0.149 -4.300 5.111 1.00 15.15 H new ATOM 0 HA ASP A 24 0.500 -1.743 6.010 1.00 16.97 H new ATOM 0 HB2 ASP A 24 -0.268 -3.053 7.770 1.00 19.49 H new ATOM 0 HB3 ASP A 24 0.842 -4.117 7.511 1.00 19.49 H new ATOM 172 N ARG A 25 2.519 -1.645 4.698 1.00 15.58 N ATOM 173 CA ARG A 25 3.814 -1.520 4.065 1.00 13.27 C ATOM 174 C ARG A 25 4.897 -1.247 5.104 1.00 17.30 C ATOM 175 O ARG A 25 5.937 -1.890 5.097 1.00 13.74 O ATOM 176 CB ARG A 25 3.780 -0.430 2.981 1.00 15.41 C ATOM 177 CG ARG A 25 5.060 -0.262 2.192 1.00 13.71 C ATOM 178 CD ARG A 25 4.913 1.050 1.428 1.00 15.80 C ATOM 179 NE ARG A 25 5.791 1.243 0.268 1.00 13.86 N ATOM 180 CZ ARG A 25 6.961 1.853 0.271 1.00 16.49 C ATOM 181 NH1 ARG A 25 7.467 2.355 1.406 1.00 17.51 N ATOM 182 NH2 ARG A 25 7.621 2.002 -0.880 1.00 17.88 N ATOM 0 H ARG A 25 1.963 -1.026 4.480 1.00 15.58 H new ATOM 0 HA ARG A 25 4.031 -2.360 3.631 1.00 13.27 H new ATOM 0 HB2 ARG A 25 3.061 -0.632 2.363 1.00 15.41 H new ATOM 0 HB3 ARG A 25 3.563 0.417 3.401 1.00 15.41 H new ATOM 0 HG2 ARG A 25 5.830 -0.236 2.781 1.00 13.71 H new ATOM 0 HG3 ARG A 25 5.193 -1.005 1.583 1.00 13.71 H new ATOM 0 HD2 ARG A 25 3.994 1.123 1.127 1.00 15.80 H new ATOM 0 HD3 ARG A 25 5.067 1.780 2.048 1.00 15.80 H new ATOM 0 HE ARG A 25 5.517 0.929 -0.484 1.00 13.86 H new ATOM 0 HH11 ARG A 25 7.028 2.281 2.142 1.00 17.51 H new ATOM 0 HH12 ARG A 25 8.230 2.751 1.398 1.00 17.51 H new ATOM 0 HH21 ARG A 25 7.283 1.702 -1.612 1.00 17.88 H new ATOM 0 HH22 ARG A 25 8.384 2.398 -0.890 1.00 17.88 H new ATOM 183 N GLU A 26 4.638 -0.314 6.031 1.00 14.58 N ATOM 184 CA GLU A 26 5.627 0.000 7.057 1.00 16.35 C ATOM 185 C GLU A 26 5.954 -1.227 7.916 1.00 11.28 C ATOM 186 O GLU A 26 7.121 -1.514 8.150 1.00 17.97 O ATOM 187 CB GLU A 26 5.113 1.149 7.945 1.00 18.28 C ATOM 188 CG GLU A 26 5.254 2.499 7.264 1.00 30.49 C ATOM 189 CD GLU A 26 4.701 3.656 8.106 1.00 32.80 C ATOM 190 OE1 GLU A 26 4.527 4.773 7.530 1.00 42.13 O ATOM 191 OE2 GLU A 26 4.440 3.433 9.328 1.00 30.37 O ATOM 0 H GLU A 26 3.908 0.138 6.079 1.00 14.58 H new ATOM 0 HA GLU A 26 6.444 0.276 6.613 1.00 16.35 H new ATOM 0 HB2 GLU A 26 4.181 0.994 8.166 1.00 18.28 H new ATOM 0 HB3 GLU A 26 5.605 1.156 8.781 1.00 18.28 H new ATOM 0 HG2 GLU A 26 6.191 2.663 7.074 1.00 30.49 H new ATOM 0 HG3 GLU A 26 4.791 2.476 6.412 1.00 30.49 H new ATOM 192 N GLY A 27 4.913 -1.969 8.310 1.00 16.41 N ATOM 193 CA GLY A 27 5.084 -3.123 9.191 1.00 17.54 C ATOM 194 C GLY A 27 5.839 -4.221 8.445 1.00 18.12 C ATOM 195 O GLY A 27 6.736 -4.846 8.999 1.00 17.74 O ATOM 0 H GLY A 27 4.099 -1.818 8.076 1.00 16.41 H new ATOM 0 HA2 GLY A 27 5.572 -2.865 9.988 1.00 17.54 H new ATOM 0 HA3 GLY A 27 4.219 -3.452 9.482 1.00 17.54 H new ATOM 196 N TRP A 28 5.517 -4.390 7.168 1.00 14.89 N ATOM 197 CA TRP A 28 6.231 -5.378 6.315 1.00 15.51 C ATOM 198 C TRP A 28 7.731 -5.057 6.164 1.00 15.16 C ATOM 199 O TRP A 28 8.592 -5.916 6.405 1.00 18.99 O ATOM 200 CB TRP A 28 5.489 -5.473 4.958 1.00 12.56 C ATOM 201 CG TRP A 28 5.894 -6.661 4.079 1.00 13.82 C ATOM 202 CD1 TRP A 28 5.455 -7.966 4.175 1.00 17.32 C ATOM 203 CD2 TRP A 28 6.781 -6.609 2.984 1.00 16.48 C ATOM 204 NE1 TRP A 28 6.046 -8.741 3.174 1.00 14.93 N ATOM 205 CE2 TRP A 28 6.863 -7.927 2.436 1.00 15.62 C ATOM 206 CE3 TRP A 28 7.516 -5.572 2.377 1.00 15.59 C ATOM 207 CZ2 TRP A 28 7.650 -8.218 1.306 1.00 17.17 C ATOM 208 CZ3 TRP A 28 8.298 -5.870 1.267 1.00 20.85 C ATOM 209 CH2 TRP A 28 8.356 -7.191 0.745 1.00 15.11 C ATOM 0 H TRP A 28 4.895 -3.953 6.765 1.00 14.89 H new ATOM 0 HA TRP A 28 6.216 -6.248 6.744 1.00 15.51 H new ATOM 0 HB2 TRP A 28 4.536 -5.525 5.129 1.00 12.56 H new ATOM 0 HB3 TRP A 28 5.644 -4.654 4.462 1.00 12.56 H new ATOM 0 HD1 TRP A 28 4.855 -8.282 4.811 1.00 17.32 H new ATOM 0 HE1 TRP A 28 5.919 -9.582 3.044 1.00 14.93 H new ATOM 0 HE3 TRP A 28 7.479 -4.705 2.712 1.00 15.59 H new ATOM 0 HZ2 TRP A 28 7.688 -9.078 0.954 1.00 17.17 H new ATOM 0 HZ3 TRP A 28 8.791 -5.195 0.860 1.00 20.85 H new ATOM 0 HH2 TRP A 28 8.889 -7.361 0.002 1.00 15.11 H new ATOM 210 N LEU A 29 8.074 -3.804 5.828 1.00 12.02 N ATOM 211 CA LEU A 29 9.447 -3.358 5.700 1.00 14.41 C ATOM 212 C LEU A 29 10.256 -3.496 7.014 1.00 13.60 C ATOM 213 O LEU A 29 11.453 -3.796 6.992 1.00 17.44 O ATOM 214 CB LEU A 29 9.470 -1.924 5.159 1.00 19.79 C ATOM 215 CG LEU A 29 9.031 -1.847 3.687 1.00 16.56 C ATOM 216 CD1 LEU A 29 8.985 -0.391 3.240 1.00 18.38 C ATOM 217 CD2 LEU A 29 10.045 -2.574 2.809 1.00 21.44 C ATOM 0 H LEU A 29 7.496 -3.187 5.668 1.00 12.02 H new ATOM 0 HA LEU A 29 9.892 -3.943 5.067 1.00 14.41 H new ATOM 0 HB2 LEU A 29 8.886 -1.368 5.698 1.00 19.79 H new ATOM 0 HB3 LEU A 29 10.366 -1.562 5.246 1.00 19.79 H new ATOM 0 HG LEU A 29 8.155 -2.255 3.603 1.00 16.56 H new ATOM 0 HD11 LEU A 29 8.708 -0.346 2.312 1.00 18.38 H new ATOM 0 HD12 LEU A 29 8.352 0.097 3.790 1.00 18.38 H new ATOM 0 HD13 LEU A 29 9.866 0.004 3.334 1.00 18.38 H new ATOM 0 HD21 LEU A 29 9.765 -2.524 1.882 1.00 21.44 H new ATOM 0 HD22 LEU A 29 10.916 -2.157 2.907 1.00 21.44 H new ATOM 0 HD23 LEU A 29 10.100 -3.504 3.080 1.00 21.44 H new ATOM 218 N ALA A 30 9.574 -3.290 8.143 1.00 17.82 N ATOM 219 CA ALA A 30 10.225 -3.331 9.457 1.00 19.33 C ATOM 220 C ALA A 30 10.691 -4.752 9.788 1.00 18.47 C ATOM 221 O ALA A 30 11.581 -4.945 10.617 1.00 20.75 O ATOM 222 CB ALA A 30 9.276 -2.825 10.538 1.00 21.46 C ATOM 0 H ALA A 30 8.731 -3.124 8.170 1.00 17.82 H new ATOM 0 HA ALA A 30 11.002 -2.752 9.427 1.00 19.33 H new ATOM 0 HB1 ALA A 30 9.720 -2.858 11.400 1.00 21.46 H new ATOM 0 HB2 ALA A 30 9.020 -1.910 10.342 1.00 21.46 H new ATOM 0 HB3 ALA A 30 8.484 -3.384 10.561 1.00 21.46 H new ATOM 223 N LEU A 31 10.090 -5.745 9.120 1.00 14.92 N ATOM 224 CA LEU A 31 10.548 -7.154 9.272 1.00 14.65 C ATOM 225 C LEU A 31 11.844 -7.484 8.563 1.00 16.69 C ATOM 226 O LEU A 31 12.439 -8.564 8.830 1.00 16.30 O ATOM 227 CB LEU A 31 9.461 -8.109 8.763 1.00 14.47 C ATOM 228 CG LEU A 31 8.072 -8.014 9.380 1.00 18.19 C ATOM 229 CD1 LEU A 31 7.096 -8.886 8.642 1.00 19.53 C ATOM 230 CD2 LEU A 31 8.033 -8.342 10.862 1.00 23.37 C ATOM 0 H LEU A 31 9.428 -5.637 8.582 1.00 14.92 H new ATOM 0 HA LEU A 31 10.716 -7.265 10.221 1.00 14.65 H new ATOM 0 HB2 LEU A 31 9.370 -7.972 7.807 1.00 14.47 H new ATOM 0 HB3 LEU A 31 9.780 -9.016 8.891 1.00 14.47 H new ATOM 0 HG LEU A 31 7.815 -7.083 9.294 1.00 18.19 H new ATOM 0 HD11 LEU A 31 6.220 -8.810 9.051 1.00 19.53 H new ATOM 0 HD12 LEU A 31 7.045 -8.603 7.716 1.00 19.53 H new ATOM 0 HD13 LEU A 31 7.392 -9.809 8.682 1.00 19.53 H new ATOM 0 HD21 LEU A 31 7.123 -8.262 11.188 1.00 23.37 H new ATOM 0 HD22 LEU A 31 8.347 -9.249 11.001 1.00 23.37 H new ATOM 0 HD23 LEU A 31 8.604 -7.725 11.345 1.00 23.37 H new ATOM 231 N MET A 32 12.286 -6.590 7.665 1.00 16.24 N ATOM 232 CA MET A 32 13.386 -6.851 6.739 1.00 17.48 C ATOM 233 C MET A 32 14.685 -6.284 7.237 1.00 19.41 C ATOM 234 O MET A 32 14.726 -5.148 7.737 1.00 18.30 O ATOM 235 CB MET A 32 13.121 -6.250 5.347 1.00 19.14 C ATOM 236 CG MET A 32 11.771 -6.595 4.793 1.00 19.78 C ATOM 237 SD MET A 32 11.629 -8.373 4.495 1.00 15.97 S ATOM 238 CE MET A 32 9.878 -8.452 4.185 1.00 17.39 C ATOM 0 H MET A 32 11.946 -5.805 7.580 1.00 16.24 H new ATOM 0 HA MET A 32 13.447 -7.817 6.677 1.00 17.48 H new ATOM 0 HB2 MET A 32 13.205 -5.285 5.398 1.00 19.14 H new ATOM 0 HB3 MET A 32 13.804 -6.562 4.733 1.00 19.14 H new ATOM 0 HG2 MET A 32 11.081 -6.311 5.413 1.00 19.78 H new ATOM 0 HG3 MET A 32 11.624 -6.112 3.965 1.00 19.78 H new ATOM 0 HE1 MET A 32 9.633 -9.358 3.938 1.00 17.39 H new ATOM 0 HE2 MET A 32 9.395 -8.194 4.986 1.00 17.39 H new ATOM 0 HE3 MET A 32 9.650 -7.848 3.461 1.00 17.39 H new ATOM 239 N ALA A 33 15.739 -7.081 7.089 1.00 15.42 N ATOM 240 CA ALA A 33 17.106 -6.593 7.284 1.00 19.38 C ATOM 241 C ALA A 33 17.467 -5.550 6.254 1.00 20.84 C ATOM 242 O ALA A 33 16.903 -5.505 5.163 1.00 17.48 O ATOM 243 CB ALA A 33 18.123 -7.754 7.205 1.00 19.82 C ATOM 0 H ALA A 33 15.686 -7.912 6.875 1.00 15.42 H new ATOM 0 HA ALA A 33 17.143 -6.192 8.167 1.00 19.38 H new ATOM 0 HB1 ALA A 33 19.020 -7.408 7.337 1.00 19.82 H new ATOM 0 HB2 ALA A 33 17.924 -8.406 7.895 1.00 19.82 H new ATOM 0 HB3 ALA A 33 18.065 -8.177 6.334 1.00 19.82 H new ATOM 244 N ASP A 34 18.437 -4.704 6.591 1.00 23.55 N ATOM 245 CA ASP A 34 18.925 -3.730 5.631 1.00 23.85 C ATOM 246 C ASP A 34 19.511 -4.364 4.391 1.00 22.07 C ATOM 247 O ASP A 34 19.458 -3.769 3.335 1.00 24.94 O ATOM 248 CB ASP A 34 19.949 -2.788 6.264 1.00 27.16 C ATOM 249 CG ASP A 34 19.310 -1.759 7.203 1.00 33.47 C ATOM 250 OD1 ASP A 34 18.060 -1.645 7.275 1.00 36.72 O ATOM 251 OD2 ASP A 34 20.083 -1.047 7.879 1.00 44.34 O ATOM 0 H ASP A 34 18.819 -4.680 7.361 1.00 23.55 H new ATOM 0 HA ASP A 34 18.147 -3.219 5.357 1.00 23.85 H new ATOM 0 HB2 ASP A 34 20.600 -3.310 6.758 1.00 27.16 H new ATOM 0 HB3 ASP A 34 20.432 -2.323 5.562 1.00 27.16 H new ATOM 252 N ASP A 35 20.049 -5.584 4.508 1.00 20.81 N ATOM 253 CA ASP A 35 20.601 -6.260 3.348 1.00 18.53 C ATOM 254 C ASP A 35 19.686 -7.351 2.766 1.00 15.63 C ATOM 255 O ASP A 35 20.180 -8.260 2.077 1.00 19.09 O ATOM 256 CB ASP A 35 21.984 -6.841 3.652 1.00 22.28 C ATOM 257 CG ASP A 35 21.953 -7.944 4.723 1.00 22.56 C ATOM 258 OD1 ASP A 35 20.889 -8.274 5.288 1.00 25.77 O ATOM 259 OD2 ASP A 35 23.047 -8.493 5.013 1.00 34.46 O ATOM 0 H ASP A 35 20.100 -6.026 5.244 1.00 20.81 H new ATOM 0 HA ASP A 35 20.680 -5.574 2.666 1.00 18.53 H new ATOM 0 HB2 ASP A 35 22.364 -7.201 2.835 1.00 22.28 H new ATOM 0 HB3 ASP A 35 22.571 -6.127 3.947 1.00 22.28 H new ATOM 260 N VAL A 36 18.380 -7.212 2.992 1.00 16.84 N ATOM 261 CA VAL A 36 17.400 -8.176 2.508 1.00 15.25 C ATOM 262 C VAL A 36 17.541 -8.377 0.986 1.00 16.72 C ATOM 263 O VAL A 36 17.847 -7.427 0.241 1.00 16.33 O ATOM 264 CB VAL A 36 15.969 -7.791 2.912 1.00 18.19 C ATOM 265 CG1 VAL A 36 15.544 -6.439 2.245 1.00 16.57 C ATOM 266 CG2 VAL A 36 14.986 -8.935 2.620 1.00 18.30 C ATOM 0 H VAL A 36 18.040 -6.555 3.431 1.00 16.84 H new ATOM 0 HA VAL A 36 17.583 -9.028 2.935 1.00 15.25 H new ATOM 0 HB VAL A 36 15.947 -7.647 3.871 1.00 18.19 H new ATOM 0 HG11 VAL A 36 14.639 -6.216 2.513 1.00 16.57 H new ATOM 0 HG12 VAL A 36 16.148 -5.734 2.528 1.00 16.57 H new ATOM 0 HG13 VAL A 36 15.582 -6.528 1.280 1.00 16.57 H new ATOM 0 HG21 VAL A 36 14.091 -8.668 2.883 1.00 18.30 H new ATOM 0 HG22 VAL A 36 14.997 -9.137 1.671 1.00 18.30 H new ATOM 0 HG23 VAL A 36 15.248 -9.723 3.121 1.00 18.30 H new ATOM 267 N VAL A 37 17.371 -9.631 0.547 1.00 13.58 N ATOM 268 CA VAL A 37 17.265 -9.919 -0.883 1.00 14.15 C ATOM 269 C VAL A 37 16.006 -10.758 -1.050 1.00 14.13 C ATOM 270 O VAL A 37 15.870 -11.826 -0.443 1.00 13.97 O ATOM 271 CB VAL A 37 18.513 -10.680 -1.448 1.00 13.90 C ATOM 272 CG1 VAL A 37 18.323 -11.036 -2.941 1.00 11.96 C ATOM 273 CG2 VAL A 37 19.809 -9.869 -1.230 1.00 13.51 C ATOM 0 H VAL A 37 17.315 -10.320 1.058 1.00 13.58 H new ATOM 0 HA VAL A 37 17.224 -9.090 -1.384 1.00 14.15 H new ATOM 0 HB VAL A 37 18.598 -11.511 -0.955 1.00 13.90 H new ATOM 0 HG11 VAL A 37 19.108 -11.505 -3.264 1.00 11.96 H new ATOM 0 HG12 VAL A 37 17.543 -11.604 -3.042 1.00 11.96 H new ATOM 0 HG13 VAL A 37 18.199 -10.223 -3.455 1.00 11.96 H new ATOM 0 HG21 VAL A 37 20.564 -10.362 -1.588 1.00 13.51 H new ATOM 0 HG22 VAL A 37 19.737 -9.015 -1.684 1.00 13.51 H new ATOM 0 HG23 VAL A 37 19.942 -9.720 -0.281 1.00 13.51 H new ATOM 274 N ILE A 38 15.071 -10.259 -1.848 1.00 12.27 N ATOM 275 CA ILE A 38 13.823 -10.992 -2.105 1.00 12.63 C ATOM 276 C ILE A 38 13.875 -11.596 -3.494 1.00 13.02 C ATOM 277 O ILE A 38 13.977 -10.873 -4.503 1.00 12.43 O ATOM 278 CB ILE A 38 12.565 -10.056 -2.022 1.00 16.69 C ATOM 279 CG1AILE A 38 12.442 -9.523 -0.588 0.50 12.47 C ATOM 280 CG1BILE A 38 12.478 -9.324 -0.669 0.50 13.77 C ATOM 281 CG2 ILE A 38 11.259 -10.786 -2.441 1.00 16.19 C ATOM 282 CD1AILE A 38 11.171 -8.805 -0.295 0.50 17.21 C ATOM 283 CD1BILE A 38 12.140 -10.189 0.509 0.50 11.07 C ATOM 0 H ILE A 38 15.133 -9.502 -2.252 1.00 12.27 H new ATOM 0 HA ILE A 38 13.742 -11.679 -1.425 1.00 12.63 H new ATOM 0 HB AILE A 38 12.687 -9.323 -2.646 0.50 16.69 H new ATOM 0 HB BILE A 38 12.679 -9.354 -2.682 0.50 16.69 H new ATOM 0 HG12AILE A 38 12.528 -10.267 0.028 0.50 13.77 H new ATOM 0 HG12BILE A 38 13.328 -8.889 -0.498 0.50 13.77 H new ATOM 0 HG13AILE A 38 13.185 -8.924 -0.414 0.50 13.77 H new ATOM 0 HG13BILE A 38 11.810 -8.624 -0.739 0.50 13.77 H new ATOM 0 HG21 ILE A 38 10.510 -10.173 -2.375 1.00 16.19 H new ATOM 0 HG22 ILE A 38 11.342 -11.098 -3.356 1.00 16.19 H new ATOM 0 HG23 ILE A 38 11.109 -11.544 -1.854 1.00 16.19 H new ATOM 0 HD11AILE A 38 11.175 -8.503 0.627 0.50 11.07 H new ATOM 0 HD11BILE A 38 12.108 -9.645 1.311 0.50 11.07 H new ATOM 0 HD12AILE A 38 11.088 -8.040 -0.885 0.50 11.07 H new ATOM 0 HD12BILE A 38 11.276 -10.607 0.367 0.50 11.07 H new ATOM 0 HD13AILE A 38 10.421 -9.404 -0.435 0.50 11.07 H new ATOM 0 HD13BILE A 38 12.817 -10.876 0.612 0.50 11.07 H new ATOM 284 N GLU A 39 13.796 -12.926 -3.542 1.00 12.14 N ATOM 285 CA GLU A 39 13.822 -13.640 -4.812 1.00 12.16 C ATOM 286 C GLU A 39 12.496 -14.336 -4.947 1.00 13.31 C ATOM 287 O GLU A 39 12.341 -15.524 -4.612 1.00 13.88 O ATOM 288 CB GLU A 39 15.004 -14.626 -4.875 1.00 10.39 C ATOM 289 CG GLU A 39 16.326 -13.937 -5.015 1.00 11.29 C ATOM 290 CD GLU A 39 17.459 -14.946 -4.819 1.00 15.83 C ATOM 291 OE1 GLU A 39 17.922 -15.085 -3.678 1.00 14.99 O ATOM 292 OE2 GLU A 39 17.855 -15.607 -5.787 1.00 14.61 O ATOM 0 H GLU A 39 13.727 -13.431 -2.849 1.00 12.14 H new ATOM 0 HA GLU A 39 13.954 -13.027 -5.552 1.00 12.16 H new ATOM 0 HB2 GLU A 39 15.010 -15.169 -4.071 1.00 10.39 H new ATOM 0 HB3 GLU A 39 14.877 -15.229 -5.624 1.00 10.39 H new ATOM 0 HG2 GLU A 39 16.395 -13.527 -5.891 1.00 11.29 H new ATOM 0 HG3 GLU A 39 16.400 -13.224 -4.361 1.00 11.29 H new ATOM 293 N ASP A 40 11.496 -13.570 -5.379 1.00 12.06 N ATOM 294 CA ASP A 40 10.161 -14.126 -5.509 1.00 11.33 C ATOM 295 C ASP A 40 9.702 -13.990 -6.961 1.00 16.22 C ATOM 296 O ASP A 40 9.133 -12.963 -7.347 1.00 15.04 O ATOM 297 CB ASP A 40 9.202 -13.352 -4.576 1.00 14.72 C ATOM 298 CG ASP A 40 7.723 -13.666 -4.843 1.00 18.77 C ATOM 299 OD1 ASP A 40 7.401 -14.829 -5.161 1.00 17.05 O ATOM 300 OD2 ASP A 40 6.879 -12.740 -4.762 1.00 21.99 O ATOM 0 H ASP A 40 11.571 -12.742 -5.597 1.00 12.06 H new ATOM 0 HA ASP A 40 10.162 -15.064 -5.262 1.00 11.33 H new ATOM 0 HB2 ASP A 40 9.412 -13.567 -3.654 1.00 14.72 H new ATOM 0 HB3 ASP A 40 9.350 -12.400 -4.686 1.00 14.72 H new ATOM 301 N PRO A 41 9.957 -15.008 -7.786 1.00 11.22 N ATOM 302 CA PRO A 41 10.632 -16.284 -7.496 1.00 11.42 C ATOM 303 C PRO A 41 12.126 -16.164 -7.702 1.00 11.32 C ATOM 304 O PRO A 41 12.620 -15.124 -8.123 1.00 12.07 O ATOM 305 CB PRO A 41 10.080 -17.206 -8.599 1.00 10.43 C ATOM 306 CG PRO A 41 9.931 -16.276 -9.813 1.00 11.10 C ATOM 307 CD PRO A 41 9.583 -14.884 -9.218 1.00 10.38 C ATOM 0 HA PRO A 41 10.484 -16.585 -6.586 1.00 11.42 H new ATOM 0 HB2 PRO A 41 10.686 -17.940 -8.785 1.00 10.43 H new ATOM 0 HB3 PRO A 41 9.230 -17.597 -8.344 1.00 10.43 H new ATOM 0 HG2 PRO A 41 10.751 -16.241 -10.331 1.00 11.10 H new ATOM 0 HG3 PRO A 41 9.232 -16.587 -10.409 1.00 11.10 H new ATOM 0 HD2 PRO A 41 10.080 -14.175 -9.656 1.00 10.38 H new ATOM 0 HD3 PRO A 41 8.641 -14.677 -9.323 1.00 10.38 H new ATOM 308 N ILE A 42 12.853 -17.258 -7.405 1.00 9.74 N ATOM 309 CA ILE A 42 14.252 -17.359 -7.784 1.00 9.15 C ATOM 310 C ILE A 42 14.317 -17.466 -9.329 1.00 9.71 C ATOM 311 O ILE A 42 13.547 -18.232 -9.933 1.00 11.82 O ATOM 312 CB ILE A 42 14.847 -18.650 -7.202 1.00 11.48 C ATOM 313 CG1 ILE A 42 14.775 -18.631 -5.680 1.00 10.22 C ATOM 314 CG2 ILE A 42 16.293 -18.813 -7.680 1.00 12.59 C ATOM 315 CD1 ILE A 42 14.983 -20.041 -5.077 1.00 11.21 C ATOM 0 H ILE A 42 12.545 -17.943 -6.986 1.00 9.74 H new ATOM 0 HA ILE A 42 14.742 -16.588 -7.456 1.00 9.15 H new ATOM 0 HB ILE A 42 14.329 -19.408 -7.515 1.00 11.48 H new ATOM 0 HG12 ILE A 42 15.450 -18.028 -5.332 1.00 10.22 H new ATOM 0 HG13 ILE A 42 13.913 -18.284 -5.401 1.00 10.22 H new ATOM 0 HG21 ILE A 42 16.666 -19.629 -7.311 1.00 12.59 H new ATOM 0 HG22 ILE A 42 16.311 -18.859 -8.649 1.00 12.59 H new ATOM 0 HG23 ILE A 42 16.820 -18.054 -7.383 1.00 12.59 H new ATOM 0 HD11 ILE A 42 14.931 -19.990 -4.110 1.00 11.21 H new ATOM 0 HD12 ILE A 42 14.294 -20.639 -5.407 1.00 11.21 H new ATOM 0 HD13 ILE A 42 15.855 -20.379 -5.336 1.00 11.21 H new ATOM 316 N GLY A 43 15.215 -16.698 -9.931 1.00 13.45 N ATOM 317 CA GLY A 43 15.387 -16.669 -11.392 1.00 12.02 C ATOM 318 C GLY A 43 14.528 -15.584 -12.029 1.00 11.52 C ATOM 319 O GLY A 43 13.635 -15.016 -11.388 1.00 12.55 O ATOM 0 H GLY A 43 15.749 -16.173 -9.507 1.00 13.45 H new ATOM 0 HA2 GLY A 43 16.320 -16.514 -11.607 1.00 12.02 H new ATOM 0 HA3 GLY A 43 15.150 -17.533 -11.765 1.00 12.02 H new ATOM 320 N LYS A 44 14.748 -15.365 -13.325 1.00 12.07 N ATOM 321 CA LYS A 44 14.154 -14.183 -13.978 1.00 13.31 C ATOM 322 C LYS A 44 12.659 -14.385 -14.196 1.00 12.41 C ATOM 323 O LYS A 44 12.216 -15.440 -14.710 1.00 13.79 O ATOM 324 CB LYS A 44 14.872 -13.905 -15.321 1.00 16.07 C ATOM 325 CG LYS A 44 14.398 -12.621 -16.007 1.00 22.80 C ATOM 326 CD LYS A 44 15.287 -12.345 -17.249 1.00 26.50 C ATOM 327 CE LYS A 44 14.924 -11.041 -17.948 1.00 48.80 C ATOM 328 NZ LYS A 44 13.592 -11.095 -18.630 1.00 46.61 N ATOM 0 H LYS A 44 15.223 -15.868 -13.836 1.00 12.07 H new ATOM 0 HA LYS A 44 14.271 -13.414 -13.399 1.00 13.31 H new ATOM 0 HB2 LYS A 44 15.827 -13.846 -15.164 1.00 16.07 H new ATOM 0 HB3 LYS A 44 14.728 -14.655 -15.919 1.00 16.07 H new ATOM 0 HG2 LYS A 44 13.470 -12.708 -16.274 1.00 22.80 H new ATOM 0 HG3 LYS A 44 14.447 -11.875 -15.389 1.00 22.80 H new ATOM 0 HD2 LYS A 44 16.217 -12.314 -16.977 1.00 26.50 H new ATOM 0 HD3 LYS A 44 15.199 -13.080 -17.876 1.00 26.50 H new ATOM 0 HE2 LYS A 44 14.920 -10.321 -17.298 1.00 48.80 H new ATOM 0 HE3 LYS A 44 15.608 -10.829 -18.602 1.00 48.80 H new ATOM 0 HZ1 LYS A 44 13.427 -10.313 -19.021 1.00 46.61 H new ATOM 0 HZ2 LYS A 44 13.599 -11.739 -19.245 1.00 46.61 H new ATOM 0 HZ3 LYS A 44 12.958 -11.266 -18.030 1.00 46.61 H new ATOM 329 N SER A 45 11.869 -13.375 -13.811 1.00 13.38 N ATOM 330 CA SER A 45 10.414 -13.405 -13.945 1.00 13.10 C ATOM 331 C SER A 45 9.896 -11.987 -13.798 1.00 13.32 C ATOM 332 O SER A 45 10.679 -11.062 -13.521 1.00 12.18 O ATOM 333 CB SER A 45 9.738 -14.330 -12.922 1.00 11.89 C ATOM 334 OG SER A 45 8.395 -14.702 -13.291 1.00 13.98 O ATOM 0 H SER A 45 12.169 -12.649 -13.462 1.00 13.38 H new ATOM 0 HA SER A 45 10.195 -13.766 -14.818 1.00 13.10 H new ATOM 0 HB2 SER A 45 10.272 -15.133 -12.818 1.00 11.89 H new ATOM 0 HB3 SER A 45 9.719 -13.888 -12.059 1.00 11.89 H new ATOM 0 HG SER A 45 8.392 -15.491 -13.579 1.00 13.98 H new ATOM 335 N VAL A 46 8.584 -11.826 -13.985 1.00 15.38 N ATOM 336 CA VAL A 46 7.964 -10.481 -13.892 1.00 14.45 C ATOM 337 C VAL A 46 8.296 -9.813 -12.538 1.00 18.60 C ATOM 338 O VAL A 46 8.623 -8.622 -12.479 1.00 16.55 O ATOM 339 CB VAL A 46 6.449 -10.560 -14.074 1.00 18.05 C ATOM 340 CG1 VAL A 46 5.789 -9.178 -13.797 1.00 23.58 C ATOM 341 CG2 VAL A 46 6.130 -11.057 -15.508 1.00 17.32 C ATOM 0 H VAL A 46 8.037 -12.465 -14.164 1.00 15.38 H new ATOM 0 HA VAL A 46 8.334 -9.939 -14.607 1.00 14.45 H new ATOM 0 HB VAL A 46 6.081 -11.190 -13.435 1.00 18.05 H new ATOM 0 HG11 VAL A 46 4.829 -9.248 -13.917 1.00 23.58 H new ATOM 0 HG12 VAL A 46 5.981 -8.904 -12.887 1.00 23.58 H new ATOM 0 HG13 VAL A 46 6.145 -8.520 -14.414 1.00 23.58 H new ATOM 0 HG21 VAL A 46 5.169 -11.108 -15.627 1.00 17.32 H new ATOM 0 HG22 VAL A 46 6.503 -10.438 -16.155 1.00 17.32 H new ATOM 0 HG23 VAL A 46 6.519 -11.936 -15.640 1.00 17.32 H new ATOM 342 N THR A 47 8.247 -10.605 -11.477 1.00 13.22 N ATOM 343 CA THR A 47 8.477 -10.120 -10.105 1.00 14.16 C ATOM 344 C THR A 47 9.965 -10.228 -9.658 1.00 16.60 C ATOM 345 O THR A 47 10.278 -9.940 -8.497 1.00 18.15 O ATOM 346 CB THR A 47 7.570 -10.896 -9.131 1.00 13.71 C ATOM 347 OG1 THR A 47 7.753 -12.302 -9.360 1.00 13.45 O ATOM 348 CG2 THR A 47 6.075 -10.606 -9.396 1.00 13.66 C ATOM 0 H THR A 47 8.079 -11.447 -11.524 1.00 13.22 H new ATOM 0 HA THR A 47 8.257 -9.175 -10.092 1.00 14.16 H new ATOM 0 HB THR A 47 7.805 -10.627 -8.229 1.00 13.71 H new ATOM 0 HG1 THR A 47 8.187 -12.636 -8.723 1.00 13.45 H new ATOM 0 HG21 THR A 47 5.532 -11.108 -8.768 1.00 13.66 H new ATOM 0 HG22 THR A 47 5.904 -9.658 -9.284 1.00 13.66 H new ATOM 0 HG23 THR A 47 5.849 -10.870 -10.302 1.00 13.66 H new ATOM 349 N ASN A 48 10.850 -10.645 -10.579 1.00 14.65 N ATOM 350 CA ASN A 48 12.299 -10.681 -10.377 1.00 12.49 C ATOM 351 C ASN A 48 12.983 -10.383 -11.710 1.00 16.22 C ATOM 352 O ASN A 48 13.621 -11.228 -12.301 1.00 12.90 O ATOM 353 CB ASN A 48 12.721 -12.055 -9.777 1.00 11.36 C ATOM 354 CG ASN A 48 14.192 -12.097 -9.356 1.00 15.20 C ATOM 355 OD1 ASN A 48 14.923 -11.142 -9.537 1.00 15.71 O ATOM 356 ND2 ASN A 48 14.636 -13.246 -8.819 1.00 12.53 N ATOM 0 H ASN A 48 10.611 -10.921 -11.358 1.00 14.65 H new ATOM 0 HA ASN A 48 12.576 -10.005 -9.739 1.00 12.49 H new ATOM 0 HB2 ASN A 48 12.164 -12.251 -9.008 1.00 11.36 H new ATOM 0 HB3 ASN A 48 12.557 -12.752 -10.431 1.00 11.36 H new ATOM 0 HD21 ASN A 48 15.462 -13.323 -8.591 1.00 12.53 H new ATOM 0 HD22 ASN A 48 14.095 -13.904 -8.703 1.00 12.53 H new ATOM 357 N PRO A 49 12.802 -9.149 -12.231 1.00 14.97 N ATOM 358 CA PRO A 49 13.080 -8.886 -13.643 1.00 20.91 C ATOM 359 C PRO A 49 14.520 -9.103 -14.095 1.00 20.29 C ATOM 360 O PRO A 49 14.741 -9.441 -15.265 1.00 26.29 O ATOM 361 CB PRO A 49 12.654 -7.415 -13.807 1.00 21.06 C ATOM 362 CG APRO A 49 11.678 -7.174 -12.704 0.50 20.11 C ATOM 363 CG BPRO A 49 12.766 -6.849 -12.425 0.50 16.36 C ATOM 364 CD PRO A 49 12.244 -7.958 -11.557 1.00 20.27 C ATOM 0 HA PRO A 49 12.603 -9.518 -14.204 1.00 20.91 H new ATOM 0 HB2APRO A 49 13.416 -6.818 -13.739 0.50 21.06 H new ATOM 0 HB2BPRO A 49 13.230 -6.946 -14.431 0.50 21.06 H new ATOM 0 HB3APRO A 49 12.249 -7.261 -14.675 0.50 21.06 H new ATOM 0 HB3BPRO A 49 11.749 -7.343 -14.148 0.50 21.06 H new ATOM 0 HG2APRO A 49 11.606 -6.230 -12.491 0.50 16.36 H new ATOM 0 HG2BPRO A 49 13.683 -6.622 -12.204 0.50 16.36 H new ATOM 0 HG3APRO A 49 10.789 -7.480 -12.941 0.50 16.36 H new ATOM 0 HG3BPRO A 49 12.241 -6.039 -12.326 0.50 16.36 H new ATOM 0 HD2APRO A 49 12.926 -7.460 -11.080 0.50 20.27 H new ATOM 0 HD2BPRO A 49 12.552 -7.880 -10.641 0.50 20.27 H new ATOM 0 HD3APRO A 49 11.562 -8.195 -10.910 0.50 20.27 H new ATOM 0 HD3BPRO A 49 11.275 -7.975 -11.530 0.50 20.27 H new ATOM 365 N ASP A 50 15.497 -8.936 -13.203 1.00 21.89 N ATOM 366 CA ASP A 50 16.874 -9.196 -13.603 1.00 22.13 C ATOM 367 C ASP A 50 17.392 -10.580 -13.203 1.00 25.20 C ATOM 368 O ASP A 50 18.523 -10.943 -13.527 1.00 23.67 O ATOM 369 CB ASP A 50 17.839 -8.069 -13.176 1.00 31.51 C ATOM 370 CG ASP A 50 18.231 -8.108 -11.690 1.00 43.22 C ATOM 371 OD1 ASP A 50 17.881 -9.044 -10.932 1.00 36.26 O ATOM 372 OD2 ASP A 50 18.923 -7.155 -11.271 1.00 58.71 O ATOM 0 H ASP A 50 15.388 -8.681 -12.389 1.00 21.89 H new ATOM 0 HA ASP A 50 16.852 -9.201 -14.573 1.00 22.13 H new ATOM 0 HB2 ASP A 50 18.644 -8.124 -13.714 1.00 31.51 H new ATOM 0 HB3 ASP A 50 17.427 -7.213 -13.369 1.00 31.51 H new ATOM 373 N GLY A 51 16.559 -11.341 -12.500 1.00 16.51 N ATOM 374 CA GLY A 51 16.920 -12.696 -12.090 1.00 14.58 C ATOM 375 C GLY A 51 17.838 -12.837 -10.896 1.00 17.49 C ATOM 376 O GLY A 51 18.184 -13.955 -10.534 1.00 19.74 O ATOM 0 H GLY A 51 15.776 -11.090 -12.249 1.00 16.51 H new ATOM 0 HA2 GLY A 51 16.101 -13.180 -11.898 1.00 14.58 H new ATOM 0 HA3 GLY A 51 17.340 -13.137 -12.845 1.00 14.58 H new ATOM 377 N SER A 52 18.260 -11.722 -10.305 1.00 15.06 N ATOM 378 CA SER A 52 19.179 -11.814 -9.176 1.00 18.90 C ATOM 379 C SER A 52 18.563 -11.324 -7.857 1.00 18.69 C ATOM 380 O SER A 52 19.266 -11.217 -6.838 1.00 20.40 O ATOM 381 CB SER A 52 20.481 -11.065 -9.504 1.00 23.08 C ATOM 382 OG SER A 52 20.272 -9.674 -9.441 1.00 30.65 O ATOM 0 H SER A 52 18.034 -10.925 -10.534 1.00 15.06 H new ATOM 0 HA SER A 52 19.378 -12.753 -9.037 1.00 18.90 H new ATOM 0 HB2 SER A 52 21.176 -11.323 -8.879 1.00 23.08 H new ATOM 0 HB3 SER A 52 20.790 -11.312 -10.390 1.00 23.08 H new ATOM 0 HG SER A 52 19.544 -9.483 -9.813 1.00 30.65 H new ATOM 383 N GLY A 53 17.250 -11.093 -7.845 1.00 14.85 N ATOM 384 CA GLY A 53 16.593 -10.669 -6.601 1.00 13.19 C ATOM 385 C GLY A 53 16.472 -9.154 -6.448 1.00 14.42 C ATOM 386 O GLY A 53 17.149 -8.385 -7.156 1.00 18.02 O ATOM 0 H GLY A 53 16.731 -11.172 -8.526 1.00 14.85 H new ATOM 0 HA2 GLY A 53 15.706 -11.060 -6.565 1.00 13.19 H new ATOM 0 HA3 GLY A 53 17.090 -11.022 -5.847 1.00 13.19 H new ATOM 387 N ILE A 54 15.585 -8.759 -5.549 1.00 14.78 N ATOM 388 CA ILE A 54 15.288 -7.345 -5.273 1.00 14.40 C ATOM 389 C ILE A 54 16.044 -7.028 -3.982 1.00 14.91 C ATOM 390 O ILE A 54 15.855 -7.718 -2.962 1.00 16.96 O ATOM 391 CB ILE A 54 13.783 -7.119 -5.052 1.00 16.42 C ATOM 392 CG1 ILE A 54 12.939 -7.738 -6.187 1.00 19.86 C ATOM 393 CG2 ILE A 54 13.519 -5.593 -4.903 1.00 20.36 C ATOM 394 CD1 ILE A 54 13.129 -7.116 -7.520 1.00 25.06 C ATOM 0 H ILE A 54 15.127 -9.307 -5.070 1.00 14.78 H new ATOM 0 HA ILE A 54 15.551 -6.781 -6.017 1.00 14.40 H new ATOM 0 HB ILE A 54 13.510 -7.569 -4.237 1.00 16.42 H new ATOM 0 HG12 ILE A 54 13.152 -8.682 -6.252 1.00 19.86 H new ATOM 0 HG13 ILE A 54 12.002 -7.675 -5.946 1.00 19.86 H new ATOM 0 HG21 ILE A 54 12.571 -5.440 -4.763 1.00 20.36 H new ATOM 0 HG22 ILE A 54 14.017 -5.251 -4.144 1.00 20.36 H new ATOM 0 HG23 ILE A 54 13.804 -5.135 -5.709 1.00 20.36 H new ATOM 0 HD11 ILE A 54 12.564 -7.563 -8.170 1.00 25.06 H new ATOM 0 HD12 ILE A 54 12.889 -6.177 -7.476 1.00 25.06 H new ATOM 0 HD13 ILE A 54 14.058 -7.200 -7.787 1.00 25.06 H new ATOM 395 N LYS A 55 16.928 -6.036 -4.027 1.00 15.45 N ATOM 396 CA LYS A 55 17.924 -5.899 -2.944 1.00 19.75 C ATOM 397 C LYS A 55 17.774 -4.595 -2.188 1.00 25.71 C ATOM 398 O LYS A 55 17.745 -3.536 -2.816 1.00 21.94 O ATOM 399 CB LYS A 55 19.357 -5.994 -3.488 1.00 20.05 C ATOM 400 CG LYS A 55 19.660 -7.265 -4.216 1.00 30.52 C ATOM 401 CD LYS A 55 21.074 -7.214 -4.770 1.00 41.10 C ATOM 402 CE LYS A 55 21.268 -8.250 -5.857 1.00 53.07 C ATOM 403 NZ LYS A 55 20.976 -9.598 -5.338 1.00 51.59 N ATOM 0 H LYS A 55 16.976 -5.445 -4.650 1.00 15.45 H new ATOM 0 HA LYS A 55 17.758 -6.633 -2.333 1.00 19.75 H new ATOM 0 HB2 LYS A 55 19.514 -5.247 -4.086 1.00 20.05 H new ATOM 0 HB3 LYS A 55 19.978 -5.902 -2.749 1.00 20.05 H new ATOM 0 HG2 LYS A 55 19.565 -8.022 -3.617 1.00 30.52 H new ATOM 0 HG3 LYS A 55 19.025 -7.394 -4.938 1.00 30.52 H new ATOM 0 HD2 LYS A 55 21.254 -6.330 -5.125 1.00 41.10 H new ATOM 0 HD3 LYS A 55 21.711 -7.367 -4.055 1.00 41.10 H new ATOM 0 HE2 LYS A 55 20.686 -8.053 -6.608 1.00 53.07 H new ATOM 0 HE3 LYS A 55 22.179 -8.214 -6.187 1.00 53.07 H new ATOM 0 HZ1 LYS A 55 21.652 -10.143 -5.531 1.00 51.59 H new ATOM 0 HZ2 LYS A 55 20.869 -9.560 -4.455 1.00 51.59 H new ATOM 0 HZ3 LYS A 55 20.231 -9.906 -5.714 1.00 51.59 H new ATOM 404 N GLY A 56 17.679 -4.694 -0.857 1.00 27.53 N ATOM 405 CA GLY A 56 17.637 -3.524 0.012 1.00 23.38 C ATOM 406 C GLY A 56 16.249 -2.972 0.231 1.00 25.90 C ATOM 407 O GLY A 56 15.335 -3.185 -0.579 1.00 24.90 O ATOM 0 H GLY A 56 17.637 -5.444 -0.438 1.00 27.53 H new ATOM 0 HA2 GLY A 56 18.022 -3.757 0.871 1.00 23.38 H new ATOM 0 HA3 GLY A 56 18.195 -2.829 -0.370 1.00 23.38 H new ATOM 408 N LYS A 57 16.086 -2.240 1.329 1.00 24.01 N ATOM 409 CA LYS A 57 14.749 -1.862 1.752 1.00 24.65 C ATOM 410 C LYS A 57 13.988 -0.907 0.811 1.00 28.43 C ATOM 411 O LYS A 57 12.749 -0.999 0.700 1.00 28.89 O ATOM 412 CB LYS A 57 14.760 -1.419 3.209 1.00 27.32 C ATOM 413 CG LYS A 57 15.044 -2.605 4.124 1.00 29.21 C ATOM 414 CD LYS A 57 15.160 -2.200 5.580 1.00 40.53 C ATOM 415 CE LYS A 57 13.820 -1.751 6.126 1.00 33.55 C ATOM 416 NZ LYS A 57 13.737 -2.087 7.557 1.00 33.03 N ATOM 0 H LYS A 57 16.724 -1.958 1.832 1.00 24.01 H new ATOM 0 HA LYS A 57 14.212 -2.667 1.684 1.00 24.65 H new ATOM 0 HB2 LYS A 57 15.434 -0.734 3.340 1.00 27.32 H new ATOM 0 HB3 LYS A 57 13.905 -1.023 3.439 1.00 27.32 H new ATOM 0 HG2 LYS A 57 14.335 -3.260 4.029 1.00 29.21 H new ATOM 0 HG3 LYS A 57 15.867 -3.036 3.845 1.00 29.21 H new ATOM 0 HD2 LYS A 57 15.492 -2.947 6.102 1.00 40.53 H new ATOM 0 HD3 LYS A 57 15.807 -1.482 5.669 1.00 40.53 H new ATOM 0 HE2 LYS A 57 13.713 -0.795 6.001 1.00 33.55 H new ATOM 0 HE3 LYS A 57 13.100 -2.183 5.640 1.00 33.55 H new ATOM 0 HZ1 LYS A 57 13.266 -1.463 7.982 1.00 33.03 H new ATOM 0 HZ2 LYS A 57 13.338 -2.877 7.654 1.00 33.03 H new ATOM 0 HZ3 LYS A 57 14.557 -2.125 7.901 1.00 33.03 H new ATOM 417 N GLU A 58 14.706 -0.046 0.094 1.00 25.92 N ATOM 418 CA GLU A 58 14.028 0.860 -0.849 1.00 24.52 C ATOM 419 C GLU A 58 13.367 0.145 -2.015 1.00 27.75 C ATOM 420 O GLU A 58 12.166 0.364 -2.310 1.00 27.48 O ATOM 421 CB GLU A 58 14.999 1.893 -1.406 1.00 29.82 C ATOM 422 CG GLU A 58 14.306 2.918 -2.289 1.00 38.41 C ATOM 423 CD GLU A 58 15.200 3.420 -3.387 1.00 64.19 C ATOM 424 OE1 GLU A 58 14.919 3.103 -4.564 1.00 78.72 O ATOM 425 OE2 GLU A 58 16.192 4.112 -3.071 1.00 66.34 O ATOM 0 H GLU A 58 15.561 0.034 0.131 1.00 25.92 H new ATOM 0 HA GLU A 58 13.330 1.289 -0.330 1.00 24.52 H new ATOM 0 HB2 GLU A 58 15.441 2.348 -0.672 1.00 29.82 H new ATOM 0 HB3 GLU A 58 15.689 1.442 -1.917 1.00 29.82 H new ATOM 0 HG2 GLU A 58 13.510 2.522 -2.678 1.00 38.41 H new ATOM 0 HG3 GLU A 58 14.014 3.666 -1.745 1.00 38.41 H new ATOM 426 N ALA A 59 14.165 -0.701 -2.674 1.00 27.14 N ATOM 427 CA ALA A 59 13.719 -1.466 -3.836 1.00 23.84 C ATOM 428 C ALA A 59 12.691 -2.492 -3.393 1.00 19.50 C ATOM 429 O ALA A 59 11.775 -2.803 -4.153 1.00 21.33 O ATOM 430 CB ALA A 59 14.890 -2.138 -4.519 1.00 22.43 C ATOM 0 H ALA A 59 14.984 -0.846 -2.456 1.00 27.14 H new ATOM 0 HA ALA A 59 13.313 -0.864 -4.478 1.00 23.84 H new ATOM 0 HB1 ALA A 59 14.573 -2.640 -5.286 1.00 22.43 H new ATOM 0 HB2 ALA A 59 15.523 -1.465 -4.813 1.00 22.43 H new ATOM 0 HB3 ALA A 59 15.325 -2.741 -3.896 1.00 22.43 H new ATOM 431 N VAL A 60 12.841 -3.047 -2.183 1.00 19.15 N ATOM 432 CA VAL A 60 11.852 -4.000 -1.723 1.00 15.46 C ATOM 433 C VAL A 60 10.531 -3.277 -1.373 1.00 15.50 C ATOM 434 O VAL A 60 9.466 -3.862 -1.412 1.00 18.19 O ATOM 435 CB AVAL A 60 12.342 -5.019 -0.614 0.65 22.49 C ATOM 436 CB BVAL A 60 12.405 -4.803 -0.485 0.35 16.94 C ATOM 437 CG1AVAL A 60 13.681 -5.659 -1.025 0.65 20.93 C ATOM 438 CG1BVAL A 60 11.314 -5.493 0.290 0.35 6.21 C ATOM 439 CG2AVAL A 60 12.438 -4.389 0.728 0.65 21.89 C ATOM 440 CG2BVAL A 60 13.430 -5.836 -0.943 0.35 16.42 C ATOM 0 H VAL A 60 13.487 -2.887 -1.638 1.00 19.15 H new ATOM 0 HA VAL A 60 11.683 -4.593 -2.472 1.00 15.46 H new ATOM 0 HB AVAL A 60 11.673 -5.718 -0.546 0.65 16.94 H new ATOM 0 HB BVAL A 60 12.822 -4.156 0.105 0.35 16.94 H new ATOM 0 HG11AVAL A 60 13.968 -6.280 -0.337 0.65 6.21 H new ATOM 0 HG11BVAL A 60 11.702 -5.972 1.039 0.35 6.21 H new ATOM 0 HG12AVAL A 60 13.569 -6.135 -1.863 0.65 6.21 H new ATOM 0 HG12BVAL A 60 10.684 -4.833 0.620 0.35 6.21 H new ATOM 0 HG13AVAL A 60 14.351 -4.966 -1.134 0.65 6.21 H new ATOM 0 HG13BVAL A 60 10.852 -6.119 -0.289 0.35 6.21 H new ATOM 0 HG21AVAL A 60 12.740 -5.047 1.374 0.65 16.42 H new ATOM 0 HG21BVAL A 60 13.764 -6.324 -0.174 0.35 16.42 H new ATOM 0 HG22AVAL A 60 13.070 -3.654 0.696 0.65 16.42 H new ATOM 0 HG22BVAL A 60 13.012 -6.455 -1.562 0.35 16.42 H new ATOM 0 HG23AVAL A 60 11.566 -4.055 0.992 0.65 16.42 H new ATOM 0 HG23BVAL A 60 14.167 -5.387 -1.385 0.35 16.42 H new ATOM 441 N GLY A 61 10.638 -1.997 -1.014 1.00 18.38 N ATOM 442 CA GLY A 61 9.428 -1.176 -0.821 1.00 17.88 C ATOM 443 C GLY A 61 8.670 -1.024 -2.150 1.00 13.66 C ATOM 444 O GLY A 61 7.433 -1.172 -2.178 1.00 16.60 O ATOM 0 H GLY A 61 11.382 -1.587 -0.878 1.00 18.38 H new ATOM 0 HA2 GLY A 61 8.852 -1.588 -0.158 1.00 17.88 H new ATOM 0 HA3 GLY A 61 9.673 -0.302 -0.479 1.00 17.88 H new ATOM 445 N ALA A 62 9.395 -0.735 -3.232 1.00 17.58 N ATOM 446 CA ALA A 62 8.791 -0.627 -4.571 1.00 19.79 C ATOM 447 C ALA A 62 8.183 -1.959 -4.957 1.00 19.42 C ATOM 448 O ALA A 62 7.112 -2.028 -5.530 1.00 16.42 O ATOM 449 CB ALA A 62 9.791 -0.178 -5.622 1.00 20.63 C ATOM 0 H ALA A 62 10.244 -0.596 -3.215 1.00 17.58 H new ATOM 0 HA ALA A 62 8.101 0.053 -4.532 1.00 19.79 H new ATOM 0 HB1 ALA A 62 9.351 -0.121 -6.484 1.00 20.63 H new ATOM 0 HB2 ALA A 62 10.144 0.693 -5.382 1.00 20.63 H new ATOM 0 HB3 ALA A 62 10.518 -0.819 -5.672 1.00 20.63 H new ATOM 450 N PHE A 63 8.871 -3.043 -4.611 1.00 17.31 N ATOM 451 CA PHE A 63 8.302 -4.388 -4.842 1.00 15.02 C ATOM 452 C PHE A 63 6.969 -4.596 -4.120 1.00 14.41 C ATOM 453 O PHE A 63 6.015 -5.100 -4.707 1.00 16.15 O ATOM 454 CB PHE A 63 9.353 -5.460 -4.448 1.00 16.49 C ATOM 455 CG PHE A 63 8.835 -6.884 -4.465 1.00 17.53 C ATOM 456 CD1 PHE A 63 8.911 -7.653 -5.626 1.00 16.78 C ATOM 457 CD2 PHE A 63 8.288 -7.452 -3.332 1.00 16.35 C ATOM 458 CE1 PHE A 63 8.428 -8.957 -5.639 1.00 16.35 C ATOM 459 CE2 PHE A 63 7.810 -8.755 -3.350 1.00 21.98 C ATOM 460 CZ PHE A 63 7.889 -9.506 -4.524 1.00 20.19 C ATOM 0 H PHE A 63 9.651 -3.034 -4.249 1.00 17.31 H new ATOM 0 HA PHE A 63 8.098 -4.477 -5.786 1.00 15.02 H new ATOM 0 HB2 PHE A 63 10.107 -5.395 -5.054 1.00 16.49 H new ATOM 0 HB3 PHE A 63 9.685 -5.259 -3.559 1.00 16.49 H new ATOM 0 HD1 PHE A 63 9.287 -7.292 -6.396 1.00 16.78 H new ATOM 0 HD2 PHE A 63 8.239 -6.956 -2.547 1.00 16.35 H new ATOM 0 HE1 PHE A 63 8.476 -9.457 -6.421 1.00 16.35 H new ATOM 0 HE2 PHE A 63 7.438 -9.126 -2.583 1.00 21.98 H new ATOM 0 HZ PHE A 63 7.573 -10.380 -4.541 1.00 20.19 H new ATOM 461 N PHE A 64 6.899 -4.209 -2.845 1.00 12.68 N ATOM 462 CA PHE A 64 5.644 -4.287 -2.127 1.00 13.20 C ATOM 463 C PHE A 64 4.541 -3.493 -2.907 1.00 11.98 C ATOM 464 O PHE A 64 3.429 -3.984 -3.087 1.00 13.20 O ATOM 465 CB PHE A 64 5.813 -3.741 -0.699 1.00 15.33 C ATOM 466 CG PHE A 64 4.550 -3.783 0.134 1.00 16.31 C ATOM 467 CD1 PHE A 64 4.324 -4.837 1.037 1.00 19.93 C ATOM 468 CD2 PHE A 64 3.584 -2.768 0.037 1.00 17.77 C ATOM 469 CE1 PHE A 64 3.172 -4.885 1.814 1.00 17.49 C ATOM 470 CE2 PHE A 64 2.419 -2.802 0.813 1.00 15.26 C ATOM 471 CZ PHE A 64 2.197 -3.874 1.706 1.00 17.14 C ATOM 0 H PHE A 64 7.561 -3.903 -2.389 1.00 12.68 H new ATOM 0 HA PHE A 64 5.368 -5.214 -2.061 1.00 13.20 H new ATOM 0 HB2 PHE A 64 6.503 -4.252 -0.248 1.00 15.33 H new ATOM 0 HB3 PHE A 64 6.125 -2.824 -0.749 1.00 15.33 H new ATOM 0 HD1 PHE A 64 4.957 -5.514 1.116 1.00 19.93 H new ATOM 0 HD2 PHE A 64 3.720 -2.062 -0.552 1.00 17.77 H new ATOM 0 HE1 PHE A 64 3.044 -5.589 2.409 1.00 17.49 H new ATOM 0 HE2 PHE A 64 1.792 -2.119 0.741 1.00 15.26 H new ATOM 0 HZ PHE A 64 1.419 -3.912 2.215 1.00 17.14 H new ATOM 472 N ASP A 65 4.873 -2.280 -3.311 1.00 16.66 N ATOM 473 CA ASP A 65 3.888 -1.386 -3.948 1.00 14.41 C ATOM 474 C ASP A 65 3.288 -2.021 -5.199 1.00 15.05 C ATOM 475 O ASP A 65 2.063 -2.092 -5.353 1.00 17.76 O ATOM 476 CB ASP A 65 4.565 -0.047 -4.265 1.00 13.86 C ATOM 477 CG ASP A 65 4.962 0.717 -2.995 1.00 12.18 C ATOM 478 OD1 ASP A 65 4.375 0.450 -1.909 1.00 16.14 O ATOM 479 OD2 ASP A 65 5.838 1.601 -3.120 1.00 16.67 O ATOM 0 H ASP A 65 5.661 -1.944 -3.231 1.00 16.66 H new ATOM 0 HA ASP A 65 3.151 -1.233 -3.336 1.00 14.41 H new ATOM 0 HB2 ASP A 65 5.355 -0.206 -4.805 1.00 13.86 H new ATOM 0 HB3 ASP A 65 3.964 0.500 -4.795 1.00 13.86 H new ATOM 480 N THR A 66 4.158 -2.547 -6.052 1.00 16.67 N ATOM 481 CA THR A 66 3.750 -2.991 -7.393 1.00 18.10 C ATOM 482 C THR A 66 3.238 -4.435 -7.360 1.00 19.32 C ATOM 483 O THR A 66 2.224 -4.789 -7.977 1.00 17.98 O ATOM 484 CB THR A 66 4.942 -2.895 -8.359 1.00 24.05 C ATOM 485 OG1 THR A 66 5.431 -1.539 -8.400 1.00 22.05 O ATOM 486 CG2 THR A 66 4.547 -3.344 -9.772 1.00 21.99 C ATOM 0 H THR A 66 4.993 -2.659 -5.879 1.00 16.67 H new ATOM 0 HA THR A 66 3.032 -2.414 -7.698 1.00 18.10 H new ATOM 0 HB THR A 66 5.641 -3.485 -8.036 1.00 24.05 H new ATOM 0 HG1 THR A 66 6.083 -1.492 -8.928 1.00 22.05 H new ATOM 0 HG21 THR A 66 5.315 -3.274 -10.361 1.00 21.99 H new ATOM 0 HG22 THR A 66 4.243 -4.265 -9.746 1.00 21.99 H new ATOM 0 HG23 THR A 66 3.833 -2.777 -10.104 1.00 21.99 H new ATOM 487 N HIS A 67 3.990 -5.281 -6.643 1.00 16.19 N ATOM 488 CA HIS A 67 3.742 -6.724 -6.648 1.00 17.85 C ATOM 489 C HIS A 67 3.086 -7.363 -5.415 1.00 19.73 C ATOM 490 O HIS A 67 2.890 -8.607 -5.368 1.00 18.02 O ATOM 491 CB HIS A 67 5.057 -7.447 -7.003 1.00 14.80 C ATOM 492 CG HIS A 67 5.639 -7.004 -8.303 1.00 18.13 C ATOM 493 ND1 HIS A 67 4.983 -7.160 -9.508 1.00 21.64 N ATOM 494 CD2 HIS A 67 6.806 -6.389 -8.589 1.00 20.54 C ATOM 495 CE1 HIS A 67 5.736 -6.671 -10.479 1.00 17.53 C ATOM 496 NE2 HIS A 67 6.854 -6.216 -9.949 1.00 20.54 N ATOM 0 H HIS A 67 4.649 -5.036 -6.148 1.00 16.19 H new ATOM 0 HA HIS A 67 3.050 -6.841 -7.318 1.00 17.85 H new ATOM 0 HB2 HIS A 67 5.704 -7.294 -6.297 1.00 14.80 H new ATOM 0 HB3 HIS A 67 4.895 -8.403 -7.037 1.00 14.80 H new ATOM 0 HD2 HIS A 67 7.457 -6.130 -7.977 1.00 20.54 H new ATOM 0 HE1 HIS A 67 5.515 -6.651 -11.382 1.00 17.53 H new ATOM 0 HE2 HIS A 67 7.508 -5.867 -10.385 1.00 20.54 H new ATOM 497 N ILE A 68 2.707 -6.542 -4.430 1.00 14.78 N ATOM 498 CA ILE A 68 1.920 -7.030 -3.303 1.00 15.79 C ATOM 499 C ILE A 68 0.619 -6.220 -3.172 1.00 13.52 C ATOM 500 O ILE A 68 -0.462 -6.785 -3.102 1.00 16.93 O ATOM 501 CB ILE A 68 2.726 -7.000 -1.965 1.00 13.50 C ATOM 502 CG1 ILE A 68 3.893 -8.028 -2.052 1.00 14.58 C ATOM 503 CG2 ILE A 68 1.810 -7.384 -0.799 1.00 16.54 C ATOM 504 CD1 ILE A 68 4.847 -8.062 -0.845 1.00 15.03 C ATOM 0 H ILE A 68 2.896 -5.704 -4.399 1.00 14.78 H new ATOM 0 HA ILE A 68 1.699 -7.958 -3.481 1.00 15.79 H new ATOM 0 HB ILE A 68 3.076 -6.107 -1.820 1.00 13.50 H new ATOM 0 HG12 ILE A 68 3.514 -8.913 -2.168 1.00 14.58 H new ATOM 0 HG13 ILE A 68 4.413 -7.835 -2.848 1.00 14.58 H new ATOM 0 HG21 ILE A 68 2.315 -7.364 0.029 1.00 16.54 H new ATOM 0 HG22 ILE A 68 1.074 -6.754 -0.744 1.00 16.54 H new ATOM 0 HG23 ILE A 68 1.460 -8.277 -0.943 1.00 16.54 H new ATOM 0 HD11 ILE A 68 5.535 -8.730 -0.994 1.00 15.03 H new ATOM 0 HD12 ILE A 68 5.261 -7.192 -0.735 1.00 15.03 H new ATOM 0 HD13 ILE A 68 4.348 -8.286 -0.044 1.00 15.03 H new ATOM 505 N ALA A 69 0.777 -4.906 -3.123 1.00 16.57 N ATOM 506 CA ALA A 69 -0.362 -4.007 -2.895 1.00 16.03 C ATOM 507 C ALA A 69 -1.199 -3.774 -4.172 1.00 13.88 C ATOM 508 O ALA A 69 -2.379 -4.081 -4.179 1.00 16.55 O ATOM 509 CB ALA A 69 0.146 -2.680 -2.286 1.00 19.18 C ATOM 0 H ALA A 69 1.533 -4.507 -3.219 1.00 16.57 H new ATOM 0 HA ALA A 69 -0.964 -4.433 -2.265 1.00 16.03 H new ATOM 0 HB1 ALA A 69 -0.605 -2.085 -2.135 1.00 19.18 H new ATOM 0 HB2 ALA A 69 0.591 -2.860 -1.443 1.00 19.18 H new ATOM 0 HB3 ALA A 69 0.772 -2.261 -2.898 1.00 19.18 H new ATOM 510 N ALA A 70 -0.577 -3.213 -5.208 1.00 14.59 N ATOM 511 CA ALA A 70 -1.324 -2.860 -6.453 1.00 16.96 C ATOM 512 C ALA A 70 -1.970 -4.081 -7.147 1.00 21.99 C ATOM 513 O ALA A 70 -2.980 -3.952 -7.866 1.00 20.77 O ATOM 514 CB ALA A 70 -0.471 -2.081 -7.395 1.00 18.68 C ATOM 0 H ALA A 70 0.262 -3.025 -5.226 1.00 14.59 H new ATOM 0 HA ALA A 70 -2.060 -2.293 -6.174 1.00 16.96 H new ATOM 0 HB1 ALA A 70 -0.981 -1.867 -8.192 1.00 18.68 H new ATOM 0 HB2 ALA A 70 -0.181 -1.260 -6.966 1.00 18.68 H new ATOM 0 HB3 ALA A 70 0.305 -2.608 -7.641 1.00 18.68 H new ATOM 515 N ASN A 71 -1.382 -5.265 -6.962 1.00 20.59 N ATOM 516 CA ASN A 71 -1.957 -6.483 -7.516 1.00 17.96 C ATOM 517 C ASN A 71 -2.874 -7.273 -6.570 1.00 18.47 C ATOM 518 O ASN A 71 -3.309 -8.393 -6.892 1.00 18.14 O ATOM 519 CB ASN A 71 -0.833 -7.371 -8.131 1.00 21.16 C ATOM 520 CG ASN A 71 0.037 -8.028 -7.071 1.00 26.50 C ATOM 521 OD1 ASN A 71 0.777 -9.011 -7.341 1.00 22.32 O ATOM 522 ND2 ASN A 71 -0.045 -7.510 -5.853 1.00 16.70 N ATOM 0 H ASN A 71 -0.653 -5.380 -6.520 1.00 20.59 H new ATOM 0 HA ASN A 71 -2.562 -6.194 -8.217 1.00 17.96 H new ATOM 0 HB2 ASN A 71 -1.235 -8.057 -8.686 1.00 21.16 H new ATOM 0 HB3 ASN A 71 -0.276 -6.827 -8.710 1.00 21.16 H new ATOM 0 HD21 ASN A 71 0.418 -7.846 -5.211 1.00 16.70 H new ATOM 0 HD22 ASN A 71 -0.561 -6.838 -5.705 1.00 16.70 H new ATOM 523 N ARG A 72 -3.225 -6.687 -5.414 1.00 13.31 N ATOM 524 CA ARG A 72 -4.140 -7.322 -4.453 1.00 14.40 C ATOM 525 C ARG A 72 -3.720 -8.735 -4.038 1.00 13.17 C ATOM 526 O ARG A 72 -4.568 -9.626 -3.900 1.00 17.23 O ATOM 527 CB ARG A 72 -5.586 -7.368 -4.985 1.00 21.39 C ATOM 528 CG ARG A 72 -6.203 -5.991 -5.150 1.00 34.07 C ATOM 529 CD ARG A 72 -7.714 -6.092 -5.313 1.00 40.27 C ATOM 530 NE ARG A 72 -8.380 -5.005 -4.597 1.00 59.85 N ATOM 531 CZ ARG A 72 -8.537 -3.773 -5.072 1.00 44.97 C ATOM 532 NH1 ARG A 72 -8.084 -3.442 -6.283 1.00 40.54 N ATOM 533 NH2 ARG A 72 -9.151 -2.868 -4.328 1.00 70.09 N ATOM 0 H ARG A 72 -2.940 -5.914 -5.168 1.00 13.31 H new ATOM 0 HA ARG A 72 -4.095 -6.758 -3.665 1.00 14.40 H new ATOM 0 HB2 ARG A 72 -5.596 -7.826 -5.840 1.00 21.39 H new ATOM 0 HB3 ARG A 72 -6.132 -7.891 -4.377 1.00 21.39 H new ATOM 0 HG2 ARG A 72 -5.993 -5.443 -4.378 1.00 34.07 H new ATOM 0 HG3 ARG A 72 -5.819 -5.550 -5.924 1.00 34.07 H new ATOM 0 HD2 ARG A 72 -7.946 -6.057 -6.254 1.00 40.27 H new ATOM 0 HD3 ARG A 72 -8.025 -6.947 -4.976 1.00 40.27 H new ATOM 0 HE ARG A 72 -8.692 -5.174 -3.814 1.00 59.85 H new ATOM 0 HH11 ARG A 72 -7.684 -4.029 -6.768 1.00 40.54 H new ATOM 0 HH12 ARG A 72 -8.192 -2.642 -6.579 1.00 40.54 H new ATOM 0 HH21 ARG A 72 -9.443 -3.080 -3.547 1.00 70.09 H new ATOM 0 HH22 ARG A 72 -9.258 -2.068 -4.625 1.00 70.09 H new ATOM 534 N LEU A 73 -2.404 -8.920 -3.878 1.00 17.06 N ATOM 535 CA LEU A 73 -1.841 -10.229 -3.499 1.00 15.51 C ATOM 536 C LEU A 73 -2.428 -10.731 -2.178 1.00 16.49 C ATOM 537 O LEU A 73 -2.518 -9.963 -1.182 1.00 19.03 O ATOM 538 CB LEU A 73 -0.318 -10.105 -3.408 1.00 12.60 C ATOM 539 CG LEU A 73 0.374 -11.453 -3.077 1.00 13.58 C ATOM 540 CD1 LEU A 73 0.308 -12.353 -4.331 1.00 21.23 C ATOM 541 CD2 LEU A 73 1.823 -11.209 -2.614 1.00 17.11 C ATOM 0 H LEU A 73 -1.817 -8.300 -3.984 1.00 17.06 H new ATOM 0 HA LEU A 73 -2.075 -10.882 -4.177 1.00 15.51 H new ATOM 0 HB2 LEU A 73 0.026 -9.767 -4.250 1.00 12.60 H new ATOM 0 HB3 LEU A 73 -0.091 -9.453 -2.727 1.00 12.60 H new ATOM 0 HG LEU A 73 -0.081 -11.901 -2.347 1.00 13.58 H new ATOM 0 HD11 LEU A 73 0.737 -13.202 -4.143 1.00 21.23 H new ATOM 0 HD12 LEU A 73 -0.619 -12.506 -4.572 1.00 21.23 H new ATOM 0 HD13 LEU A 73 0.765 -11.917 -5.067 1.00 21.23 H new ATOM 0 HD21 LEU A 73 2.245 -12.058 -2.410 1.00 17.11 H new ATOM 0 HD22 LEU A 73 2.318 -10.764 -3.320 1.00 17.11 H new ATOM 0 HD23 LEU A 73 1.820 -10.651 -1.820 1.00 17.11 H new ATOM 542 N THR A 74 -2.867 -11.986 -2.152 1.00 13.91 N ATOM 543 CA THR A 74 -3.143 -12.658 -0.895 1.00 15.32 C ATOM 544 C THR A 74 -2.148 -13.820 -0.782 1.00 18.13 C ATOM 545 O THR A 74 -1.692 -14.368 -1.792 1.00 15.73 O ATOM 546 CB THR A 74 -4.560 -13.162 -0.771 1.00 18.08 C ATOM 547 OG1 THR A 74 -4.783 -14.226 -1.699 1.00 19.05 O ATOM 548 CG2 THR A 74 -5.574 -12.015 -1.042 1.00 21.68 C ATOM 0 H THR A 74 -3.010 -12.463 -2.853 1.00 13.91 H new ATOM 0 HA THR A 74 -3.041 -12.019 -0.173 1.00 15.32 H new ATOM 0 HB THR A 74 -4.691 -13.489 0.133 1.00 18.08 H new ATOM 0 HG1 THR A 74 -5.573 -14.503 -1.624 1.00 19.05 H new ATOM 0 HG21 THR A 74 -6.478 -12.356 -0.958 1.00 21.68 H new ATOM 0 HG22 THR A 74 -5.437 -11.303 -0.398 1.00 21.68 H new ATOM 0 HG23 THR A 74 -5.441 -11.670 -1.939 1.00 21.68 H new ATOM 549 N VAL A 75 -1.822 -14.159 0.465 1.00 17.96 N ATOM 550 CA VAL A 75 -0.856 -15.216 0.768 1.00 14.89 C ATOM 551 C VAL A 75 -1.503 -16.158 1.783 1.00 21.13 C ATOM 552 O VAL A 75 -1.947 -15.716 2.860 1.00 26.83 O ATOM 553 CB VAL A 75 0.456 -14.615 1.330 1.00 15.73 C ATOM 554 CG1 VAL A 75 1.491 -15.744 1.568 1.00 20.96 C ATOM 555 CG2 VAL A 75 1.056 -13.604 0.380 1.00 22.11 C ATOM 0 H VAL A 75 -2.156 -13.781 1.162 1.00 17.96 H new ATOM 0 HA VAL A 75 -0.624 -15.702 -0.039 1.00 14.89 H new ATOM 0 HB VAL A 75 0.239 -14.169 2.164 1.00 15.73 H new ATOM 0 HG11 VAL A 75 2.311 -15.363 1.920 1.00 20.96 H new ATOM 0 HG12 VAL A 75 1.133 -16.383 2.204 1.00 20.96 H new ATOM 0 HG13 VAL A 75 1.678 -16.194 0.729 1.00 20.96 H new ATOM 0 HG21 VAL A 75 1.874 -13.248 0.761 1.00 22.11 H new ATOM 0 HG22 VAL A 75 1.254 -14.033 -0.467 1.00 22.11 H new ATOM 0 HG23 VAL A 75 0.425 -12.881 0.236 1.00 22.11 H new ATOM 556 N THR A 76 -1.575 -17.437 1.448 1.00 17.77 N ATOM 557 CA THR A 76 -2.154 -18.457 2.316 1.00 17.71 C ATOM 558 C THR A 76 -1.074 -19.493 2.631 1.00 19.41 C ATOM 559 O THR A 76 -0.460 -19.999 1.710 1.00 16.00 O ATOM 560 CB THR A 76 -3.344 -19.147 1.633 1.00 19.99 C ATOM 561 OG1 THR A 76 -4.337 -18.150 1.326 1.00 32.50 O ATOM 562 CG2 THR A 76 -3.981 -20.184 2.537 1.00 26.56 C ATOM 0 H THR A 76 -1.285 -17.744 0.699 1.00 17.77 H new ATOM 0 HA THR A 76 -2.475 -18.039 3.131 1.00 17.71 H new ATOM 0 HB THR A 76 -3.020 -19.589 0.833 1.00 19.99 H new ATOM 0 HG1 THR A 76 -4.994 -18.515 0.950 1.00 32.50 H new ATOM 0 HG21 THR A 76 -4.727 -20.600 2.077 1.00 26.56 H new ATOM 0 HG22 THR A 76 -3.325 -20.861 2.766 1.00 26.56 H new ATOM 0 HG23 THR A 76 -4.299 -19.756 3.347 1.00 26.56 H new ATOM 563 N CYS A 77 -0.826 -19.774 3.912 1.00 14.67 N ATOM 564 CA CYS A 77 0.117 -20.864 4.276 1.00 17.04 C ATOM 565 C CYS A 77 -0.561 -22.240 4.254 1.00 20.07 C ATOM 566 O CYS A 77 -1.484 -22.526 5.045 1.00 22.54 O ATOM 567 CB CYS A 77 0.733 -20.596 5.642 1.00 15.97 C ATOM 568 SG CYS A 77 1.995 -21.827 6.033 1.00 19.33 S ATOM 0 H CYS A 77 -1.179 -19.362 4.579 1.00 14.67 H new ATOM 0 HA CYS A 77 0.820 -20.877 3.608 1.00 17.04 H new ATOM 0 HB2 CYS A 77 1.126 -19.709 5.655 1.00 15.97 H new ATOM 0 HB3 CYS A 77 0.041 -20.610 6.321 1.00 15.97 H new ATOM 0 HG CYS A 77 2.965 -21.279 6.478 1.00 19.33 H new ATOM 569 N GLU A 78 -0.136 -23.097 3.333 1.00 15.51 N ATOM 570 CA GLU A 78 -0.684 -24.442 3.255 1.00 14.44 C ATOM 571 C GLU A 78 -0.004 -25.409 4.239 1.00 18.49 C ATOM 572 O GLU A 78 -0.644 -26.259 4.863 1.00 19.13 O ATOM 573 CB GLU A 78 -0.558 -24.994 1.847 1.00 19.19 C ATOM 574 CG GLU A 78 -1.122 -26.385 1.686 1.00 20.94 C ATOM 575 CD GLU A 78 -0.858 -26.947 0.306 1.00 34.65 C ATOM 576 OE1 GLU A 78 -1.438 -26.409 -0.656 1.00 30.92 O ATOM 577 OE2 GLU A 78 -0.063 -27.903 0.184 1.00 28.75 O ATOM 0 H GLU A 78 0.467 -22.919 2.746 1.00 15.51 H new ATOM 0 HA GLU A 78 -1.620 -24.372 3.498 1.00 14.44 H new ATOM 0 HB2 GLU A 78 -1.012 -24.397 1.232 1.00 19.19 H new ATOM 0 HB3 GLU A 78 0.378 -25.002 1.594 1.00 19.19 H new ATOM 0 HG2 GLU A 78 -0.731 -26.971 2.353 1.00 20.94 H new ATOM 0 HG3 GLU A 78 -2.078 -26.367 1.849 1.00 20.94 H new ATOM 578 N GLU A 79 1.312 -25.304 4.334 1.00 15.78 N ATOM 579 CA GLU A 79 2.093 -26.244 5.156 1.00 14.30 C ATOM 580 C GLU A 79 3.420 -25.597 5.514 1.00 14.31 C ATOM 581 O GLU A 79 3.961 -24.797 4.748 1.00 14.38 O ATOM 582 CB GLU A 79 2.307 -27.541 4.393 1.00 15.56 C ATOM 583 CG GLU A 79 2.885 -28.639 5.265 1.00 24.74 C ATOM 584 CD GLU A 79 2.876 -29.989 4.620 1.00 25.40 C ATOM 585 OE1 GLU A 79 2.647 -30.105 3.374 1.00 24.37 O ATOM 586 OE2 GLU A 79 3.145 -30.934 5.394 1.00 31.57 O ATOM 0 H GLU A 79 1.779 -24.702 3.936 1.00 15.78 H new ATOM 0 HA GLU A 79 1.613 -26.453 5.973 1.00 14.30 H new ATOM 0 HB2 GLU A 79 1.461 -27.838 4.022 1.00 15.56 H new ATOM 0 HB3 GLU A 79 2.903 -27.378 3.645 1.00 15.56 H new ATOM 0 HG2 GLU A 79 3.797 -28.408 5.500 1.00 24.74 H new ATOM 0 HG3 GLU A 79 2.381 -28.682 6.093 1.00 24.74 H new ATOM 587 N THR A 80 3.955 -25.968 6.688 1.00 12.47 N ATOM 588 CA THR A 80 5.168 -25.355 7.196 1.00 11.64 C ATOM 589 C THR A 80 6.177 -26.446 7.504 1.00 13.52 C ATOM 590 O THR A 80 5.810 -27.489 8.070 1.00 14.85 O ATOM 591 CB THR A 80 4.892 -24.536 8.492 1.00 13.25 C ATOM 592 OG1 THR A 80 4.109 -23.363 8.158 1.00 13.73 O ATOM 593 CG2 THR A 80 6.183 -24.107 9.183 1.00 13.01 C ATOM 0 H THR A 80 3.622 -26.575 7.198 1.00 12.47 H new ATOM 0 HA THR A 80 5.511 -24.748 6.521 1.00 11.64 H new ATOM 0 HB THR A 80 4.405 -25.106 9.107 1.00 13.25 H new ATOM 0 HG1 THR A 80 3.791 -23.029 8.860 1.00 13.73 H new ATOM 0 HG21 THR A 80 5.970 -23.601 9.983 1.00 13.01 H new ATOM 0 HG22 THR A 80 6.697 -24.893 9.425 1.00 13.01 H new ATOM 0 HG23 THR A 80 6.704 -23.554 8.581 1.00 13.01 H new ATOM 594 N PHE A 81 7.426 -26.179 7.122 1.00 10.56 N ATOM 595 CA PHE A 81 8.556 -27.094 7.316 1.00 12.18 C ATOM 596 C PHE A 81 9.698 -26.385 8.057 1.00 7.25 C ATOM 597 O PHE A 81 10.577 -25.746 7.491 1.00 11.75 O ATOM 598 CB PHE A 81 9.060 -27.620 5.961 1.00 11.37 C ATOM 599 CG PHE A 81 8.049 -28.463 5.234 1.00 11.53 C ATOM 600 CD1 PHE A 81 7.995 -29.835 5.449 1.00 14.83 C ATOM 601 CD2 PHE A 81 7.129 -27.878 4.345 1.00 11.95 C ATOM 602 CE1 PHE A 81 7.086 -30.637 4.775 1.00 15.54 C ATOM 603 CE2 PHE A 81 6.217 -28.683 3.649 1.00 14.92 C ATOM 604 CZ PHE A 81 6.208 -30.059 3.866 1.00 14.99 C ATOM 0 H PHE A 81 7.646 -25.444 6.734 1.00 10.56 H new ATOM 0 HA PHE A 81 8.252 -27.844 7.851 1.00 12.18 H new ATOM 0 HB2 PHE A 81 9.306 -26.867 5.401 1.00 11.37 H new ATOM 0 HB3 PHE A 81 9.865 -28.143 6.104 1.00 11.37 H new ATOM 0 HD1 PHE A 81 8.581 -30.224 6.058 1.00 14.83 H new ATOM 0 HD2 PHE A 81 7.126 -26.957 4.219 1.00 11.95 H new ATOM 0 HE1 PHE A 81 7.064 -31.554 4.930 1.00 15.54 H new ATOM 0 HE2 PHE A 81 5.621 -28.301 3.046 1.00 14.92 H new ATOM 0 HZ PHE A 81 5.609 -30.595 3.398 1.00 14.99 H new ATOM 605 N PRO A 82 9.692 -26.507 9.407 1.00 10.47 N ATOM 606 CA PRO A 82 10.797 -26.054 10.197 1.00 11.05 C ATOM 607 C PRO A 82 12.088 -26.772 9.750 1.00 11.18 C ATOM 608 O PRO A 82 12.001 -27.924 9.225 1.00 11.96 O ATOM 609 CB PRO A 82 10.413 -26.557 11.609 1.00 11.22 C ATOM 610 CG PRO A 82 8.972 -26.663 11.598 1.00 14.95 C ATOM 611 CD PRO A 82 8.636 -27.143 10.219 1.00 12.04 C ATOM 0 HA PRO A 82 10.955 -25.099 10.136 1.00 11.05 H new ATOM 0 HB2 PRO A 82 10.825 -27.414 11.799 1.00 11.22 H new ATOM 0 HB3 PRO A 82 10.713 -25.939 12.294 1.00 11.22 H new ATOM 0 HG2 PRO A 82 8.659 -27.285 12.273 1.00 14.95 H new ATOM 0 HG3 PRO A 82 8.554 -25.808 11.785 1.00 14.95 H new ATOM 0 HD2 PRO A 82 8.662 -28.111 10.155 1.00 12.04 H new ATOM 0 HD3 PRO A 82 7.749 -26.864 9.944 1.00 12.04 H new ATOM 612 N SER A 83 13.243 -26.129 9.931 1.00 10.47 N ATOM 613 CA SER A 83 14.517 -26.860 9.773 1.00 9.80 C ATOM 614 C SER A 83 15.054 -27.172 11.171 1.00 12.07 C ATOM 615 O SER A 83 14.286 -27.128 12.135 1.00 11.11 O ATOM 616 CB SER A 83 15.537 -26.029 8.989 1.00 11.13 C ATOM 617 OG SER A 83 15.984 -24.913 9.735 1.00 12.14 O ATOM 0 H SER A 83 13.318 -25.298 10.139 1.00 10.47 H new ATOM 0 HA SER A 83 14.365 -27.678 9.274 1.00 9.80 H new ATOM 0 HB2 SER A 83 16.295 -26.586 8.752 1.00 11.13 H new ATOM 0 HB3 SER A 83 15.138 -25.725 8.159 1.00 11.13 H new ATOM 0 HG SER A 83 15.453 -24.272 9.626 1.00 12.14 H new ATOM 618 N SER A 84 16.344 -27.451 11.251 1.00 8.89 N ATOM 619 CA SER A 84 16.991 -27.633 12.581 1.00 10.34 C ATOM 620 C SER A 84 17.683 -26.368 13.054 1.00 14.80 C ATOM 621 O SER A 84 18.423 -26.356 14.062 1.00 15.74 O ATOM 622 CB SER A 84 17.957 -28.828 12.563 1.00 12.10 C ATOM 623 OG SER A 84 17.206 -30.001 12.346 1.00 11.31 O ATOM 0 H SER A 84 16.868 -27.541 10.575 1.00 8.89 H new ATOM 0 HA SER A 84 16.288 -27.825 13.221 1.00 10.34 H new ATOM 0 HB2 SER A 84 18.619 -28.717 11.863 1.00 12.10 H new ATOM 0 HB3 SER A 84 18.439 -28.886 13.403 1.00 12.10 H new ATOM 0 HG SER A 84 17.721 -30.665 12.332 1.00 11.31 H new ATOM 624 N SER A 85 17.470 -25.294 12.301 1.00 15.09 N ATOM 625 CA SER A 85 17.968 -23.978 12.655 1.00 11.78 C ATOM 626 C SER A 85 16.762 -23.093 12.985 1.00 15.21 C ATOM 627 O SER A 85 15.832 -22.992 12.191 1.00 13.46 O ATOM 628 CB SER A 85 18.693 -23.325 11.472 1.00 13.61 C ATOM 629 OG SER A 85 18.987 -21.962 11.786 1.00 15.57 O ATOM 0 H SER A 85 17.028 -25.313 11.564 1.00 15.09 H new ATOM 0 HA SER A 85 18.581 -24.068 13.401 1.00 11.78 H new ATOM 0 HB2 SER A 85 19.512 -23.806 11.277 1.00 13.61 H new ATOM 0 HB3 SER A 85 18.141 -23.372 10.676 1.00 13.61 H new ATOM 0 HG SER A 85 19.504 -21.645 11.204 1.00 15.57 H new ATOM 630 N PRO A 86 16.770 -22.410 14.145 1.00 16.43 N ATOM 631 CA PRO A 86 15.663 -21.468 14.446 1.00 16.16 C ATOM 632 C PRO A 86 15.579 -20.266 13.477 1.00 13.24 C ATOM 633 O PRO A 86 14.606 -19.505 13.541 1.00 16.70 O ATOM 634 CB PRO A 86 16.049 -20.930 15.855 1.00 16.31 C ATOM 635 CG APRO A 86 16.879 -22.087 16.439 0.50 11.23 C ATOM 636 CG BPRO A 86 17.529 -21.117 15.952 0.50 19.42 C ATOM 637 CD PRO A 86 17.742 -22.473 15.265 1.00 19.20 C ATOM 0 HA PRO A 86 14.805 -21.914 14.377 1.00 16.16 H new ATOM 0 HB2APRO A 86 16.563 -20.109 15.800 0.50 16.31 H new ATOM 0 HB2BPRO A 86 15.806 -19.996 15.952 0.50 16.31 H new ATOM 0 HB3APRO A 86 15.266 -20.739 16.395 0.50 16.31 H new ATOM 0 HB3BPRO A 86 15.587 -21.417 16.555 0.50 16.31 H new ATOM 0 HG2APRO A 86 17.408 -21.806 17.202 0.50 19.42 H new ATOM 0 HG2BPRO A 86 18.012 -20.406 15.503 0.50 19.42 H new ATOM 0 HG3APRO A 86 16.320 -22.822 16.736 0.50 19.42 H new ATOM 0 HG3BPRO A 86 17.831 -21.128 16.874 0.50 19.42 H new ATOM 0 HD2APRO A 86 18.483 -21.859 15.140 0.50 19.20 H new ATOM 0 HD2BPRO A 86 18.653 -22.581 14.949 0.50 19.20 H new ATOM 0 HD3APRO A 86 18.122 -23.359 15.368 0.50 19.20 H new ATOM 0 HD3BPRO A 86 17.559 -23.215 15.862 0.50 19.20 H new ATOM 638 N ASP A 87 16.592 -20.102 12.633 1.00 11.83 N ATOM 639 CA ASP A 87 16.666 -18.955 11.728 1.00 14.39 C ATOM 640 C ASP A 87 16.350 -19.239 10.271 1.00 11.24 C ATOM 641 O ASP A 87 16.414 -18.326 9.455 1.00 12.39 O ATOM 642 CB ASP A 87 18.027 -18.287 11.828 1.00 11.40 C ATOM 643 CG ASP A 87 18.294 -17.682 13.258 1.00 17.19 C ATOM 644 OD1 ASP A 87 17.346 -17.603 14.069 1.00 21.82 O ATOM 645 OD2 ASP A 87 19.448 -17.340 13.517 1.00 29.94 O ATOM 0 H ASP A 87 17.253 -20.648 12.567 1.00 11.83 H new ATOM 0 HA ASP A 87 15.959 -18.365 12.034 1.00 14.39 H new ATOM 0 HB2 ASP A 87 18.719 -18.934 11.619 1.00 11.40 H new ATOM 0 HB3 ASP A 87 18.088 -17.582 11.164 1.00 11.40 H new ATOM 646 N GLU A 88 15.995 -20.482 9.971 1.00 9.11 N ATOM 647 CA GLU A 88 15.592 -20.861 8.576 1.00 10.30 C ATOM 648 C GLU A 88 14.382 -21.742 8.582 1.00 10.86 C ATOM 649 O GLU A 88 14.265 -22.688 9.387 1.00 11.67 O ATOM 650 CB GLU A 88 16.753 -21.524 7.819 1.00 11.78 C ATOM 651 CG GLU A 88 17.995 -20.653 7.716 1.00 13.37 C ATOM 652 CD GLU A 88 18.927 -21.022 6.593 1.00 19.99 C ATOM 653 OE1 GLU A 88 18.505 -21.080 5.416 1.00 17.26 O ATOM 654 OE2 GLU A 88 20.127 -21.211 6.883 1.00 17.51 O ATOM 0 H GLU A 88 15.974 -21.128 10.538 1.00 9.11 H new ATOM 0 HA GLU A 88 15.362 -20.044 8.107 1.00 10.30 H new ATOM 0 HB2 GLU A 88 16.986 -22.354 8.264 1.00 11.78 H new ATOM 0 HB3 GLU A 88 16.455 -21.755 6.925 1.00 11.78 H new ATOM 0 HG2 GLU A 88 17.720 -19.730 7.602 1.00 13.37 H new ATOM 0 HG3 GLU A 88 18.481 -20.703 8.554 1.00 13.37 H new ATOM 655 N ILE A 89 13.456 -21.451 7.665 1.00 8.84 N ATOM 656 CA ILE A 89 12.220 -22.167 7.587 1.00 7.93 C ATOM 657 C ILE A 89 11.717 -22.164 6.111 1.00 8.48 C ATOM 658 O ILE A 89 12.091 -21.293 5.334 1.00 10.59 O ATOM 659 CB ILE A 89 11.142 -21.545 8.563 1.00 8.68 C ATOM 660 CG1 ILE A 89 9.931 -22.467 8.733 1.00 9.42 C ATOM 661 CG2 ILE A 89 10.687 -20.165 8.023 1.00 9.86 C ATOM 662 CD1 ILE A 89 9.060 -22.061 9.967 1.00 12.81 C ATOM 0 H ILE A 89 13.543 -20.829 7.077 1.00 8.84 H new ATOM 0 HA ILE A 89 12.363 -23.084 7.869 1.00 7.93 H new ATOM 0 HB ILE A 89 11.553 -21.438 9.435 1.00 8.68 H new ATOM 0 HG12 ILE A 89 9.387 -22.438 7.930 1.00 9.42 H new ATOM 0 HG13 ILE A 89 10.234 -23.383 8.838 1.00 9.42 H new ATOM 0 HG21 ILE A 89 10.026 -19.785 8.622 1.00 9.86 H new ATOM 0 HG22 ILE A 89 11.452 -19.571 7.967 1.00 9.86 H new ATOM 0 HG23 ILE A 89 10.298 -20.275 7.141 1.00 9.86 H new ATOM 0 HD11 ILE A 89 8.305 -22.665 10.043 1.00 12.81 H new ATOM 0 HD12 ILE A 89 9.597 -22.112 10.773 1.00 12.81 H new ATOM 0 HD13 ILE A 89 8.737 -21.154 9.851 1.00 12.81 H new ATOM 663 N ALA A 90 10.909 -23.171 5.786 1.00 10.07 N ATOM 664 CA ALA A 90 10.238 -23.234 4.459 1.00 8.98 C ATOM 665 C ALA A 90 8.727 -23.431 4.623 1.00 10.75 C ATOM 666 O ALA A 90 8.271 -24.012 5.607 1.00 10.53 O ATOM 667 CB ALA A 90 10.838 -24.388 3.646 1.00 10.55 C ATOM 0 H ALA A 90 10.729 -23.830 6.308 1.00 10.07 H new ATOM 0 HA ALA A 90 10.382 -22.397 3.991 1.00 8.98 H new ATOM 0 HB1 ALA A 90 10.404 -24.434 2.780 1.00 10.55 H new ATOM 0 HB2 ALA A 90 11.788 -24.238 3.524 1.00 10.55 H new ATOM 0 HB3 ALA A 90 10.701 -25.223 4.120 1.00 10.55 H new ATOM 668 N HIS A 91 7.939 -23.004 3.635 1.00 9.71 N ATOM 669 CA HIS A 91 6.478 -23.146 3.690 1.00 11.99 C ATOM 670 C HIS A 91 6.018 -23.444 2.285 1.00 10.93 C ATOM 671 O HIS A 91 6.691 -23.060 1.321 1.00 12.55 O ATOM 672 CB HIS A 91 5.818 -21.834 4.106 1.00 11.93 C ATOM 673 CG HIS A 91 6.284 -21.276 5.418 1.00 11.48 C ATOM 674 ND1 HIS A 91 5.726 -21.642 6.629 1.00 13.48 N ATOM 675 CD2 HIS A 91 7.196 -20.314 5.692 1.00 14.60 C ATOM 676 CE1 HIS A 91 6.318 -20.953 7.597 1.00 12.93 C ATOM 677 NE2 HIS A 91 7.210 -20.141 7.051 1.00 13.84 N ATOM 0 H HIS A 91 8.231 -22.627 2.919 1.00 9.71 H new ATOM 0 HA HIS A 91 6.243 -23.839 4.326 1.00 11.99 H new ATOM 0 HB2 HIS A 91 5.979 -21.174 3.414 1.00 11.93 H new ATOM 0 HB3 HIS A 91 4.859 -21.970 4.151 1.00 11.93 H new ATOM 0 HD1 HIS A 91 5.099 -22.221 6.737 1.00 13.48 H new ATOM 0 HD2 HIS A 91 7.717 -19.855 5.073 1.00 14.60 H new ATOM 0 HE1 HIS A 91 6.137 -21.028 8.506 1.00 12.93 H new ATOM 678 N ILE A 92 4.905 -24.149 2.173 1.00 9.27 N ATOM 679 CA ILE A 92 4.162 -24.180 0.918 1.00 10.71 C ATOM 680 C ILE A 92 3.134 -23.064 1.042 1.00 14.07 C ATOM 681 O ILE A 92 2.294 -23.064 1.961 1.00 14.55 O ATOM 682 CB ILE A 92 3.429 -25.508 0.697 1.00 14.61 C ATOM 683 CG1AILE A 92 4.351 -26.726 0.910 0.65 17.34 C ATOM 684 CG1BILE A 92 4.462 -26.635 0.524 0.35 6.83 C ATOM 685 CG2 ILE A 92 2.658 -25.424 -0.623 1.00 13.35 C ATOM 686 CD1AILE A 92 5.649 -26.660 0.202 0.65 17.94 C ATOM 687 CD1BILE A 92 3.858 -28.044 0.440 0.35 6.53 C ATOM 0 H ILE A 92 4.561 -24.616 2.807 1.00 9.27 H new ATOM 0 HA ILE A 92 4.768 -24.075 0.168 1.00 10.71 H new ATOM 0 HB AILE A 92 2.756 -25.663 1.379 0.65 14.61 H new ATOM 0 HB BILE A 92 2.843 -25.679 1.451 0.35 14.61 H new ATOM 0 HG12AILE A 92 4.521 -26.824 1.860 0.65 6.83 H new ATOM 0 HG12BILE A 92 4.976 -26.467 -0.282 0.35 6.83 H new ATOM 0 HG13AILE A 92 3.881 -27.524 0.622 0.65 6.83 H new ATOM 0 HG13BILE A 92 5.084 -26.606 1.268 0.35 6.83 H new ATOM 0 HG21 ILE A 92 2.188 -26.258 -0.777 1.00 13.35 H new ATOM 0 HG22 ILE A 92 2.018 -24.696 -0.578 1.00 13.35 H new ATOM 0 HG23 ILE A 92 3.279 -25.264 -1.351 1.00 13.35 H new ATOM 0 HD11AILE A 92 6.162 -27.461 0.391 0.65 6.53 H new ATOM 0 HD11BILE A 92 4.569 -28.695 0.332 0.35 6.53 H new ATOM 0 HD12AILE A 92 5.494 -26.593 -0.753 0.65 6.53 H new ATOM 0 HD12BILE A 92 3.366 -28.235 1.254 0.35 6.53 H new ATOM 0 HD13AILE A 92 6.143 -25.882 0.504 0.65 6.53 H new ATOM 0 HD13BILE A 92 3.257 -28.094 -0.319 0.35 6.53 H new ATOM 688 N LEU A 93 3.222 -22.095 0.139 1.00 11.07 N ATOM 689 CA LEU A 93 2.260 -20.983 0.122 1.00 11.09 C ATOM 690 C LEU A 93 1.467 -20.984 -1.176 1.00 12.74 C ATOM 691 O LEU A 93 1.979 -21.354 -2.251 1.00 11.25 O ATOM 692 CB LEU A 93 2.966 -19.641 0.239 1.00 12.06 C ATOM 693 CG LEU A 93 3.962 -19.392 1.371 1.00 13.81 C ATOM 694 CD1 LEU A 93 4.512 -17.976 1.280 1.00 14.21 C ATOM 695 CD2 LEU A 93 3.248 -19.658 2.689 1.00 14.18 C ATOM 0 H LEU A 93 3.826 -22.057 -0.472 1.00 11.07 H new ATOM 0 HA LEU A 93 1.668 -21.107 0.880 1.00 11.09 H new ATOM 0 HB2 LEU A 93 3.436 -19.490 -0.596 1.00 12.06 H new ATOM 0 HB3 LEU A 93 2.279 -18.959 0.305 1.00 12.06 H new ATOM 0 HG LEU A 93 4.725 -19.988 1.305 1.00 13.81 H new ATOM 0 HD11 LEU A 93 5.143 -17.827 2.002 1.00 14.21 H new ATOM 0 HD12 LEU A 93 4.961 -17.857 0.429 1.00 14.21 H new ATOM 0 HD13 LEU A 93 3.783 -17.340 1.352 1.00 14.21 H new ATOM 0 HD21 LEU A 93 3.861 -19.506 3.426 1.00 14.18 H new ATOM 0 HD22 LEU A 93 2.489 -19.060 2.772 1.00 14.18 H new ATOM 0 HD23 LEU A 93 2.939 -20.577 2.710 1.00 14.18 H new ATOM 696 N VAL A 94 0.227 -20.515 -1.056 1.00 13.47 N ATOM 697 CA VAL A 94 -0.599 -20.276 -2.231 1.00 12.01 C ATOM 698 C VAL A 94 -0.760 -18.775 -2.352 1.00 15.66 C ATOM 699 O VAL A 94 -1.220 -18.111 -1.402 1.00 15.70 O ATOM 700 CB VAL A 94 -1.950 -21.002 -2.126 1.00 12.42 C ATOM 701 CG1 VAL A 94 -2.862 -20.607 -3.297 1.00 19.66 C ATOM 702 CG2 VAL A 94 -1.760 -22.530 -2.127 1.00 19.92 C ATOM 0 H VAL A 94 -0.151 -20.330 -0.306 1.00 13.47 H new ATOM 0 HA VAL A 94 -0.179 -20.632 -3.030 1.00 12.01 H new ATOM 0 HB VAL A 94 -2.361 -20.737 -1.288 1.00 12.42 H new ATOM 0 HG11 VAL A 94 -3.710 -21.072 -3.218 1.00 19.66 H new ATOM 0 HG12 VAL A 94 -3.016 -19.649 -3.279 1.00 19.66 H new ATOM 0 HG13 VAL A 94 -2.437 -20.850 -4.134 1.00 19.66 H new ATOM 0 HG21 VAL A 94 -2.625 -22.964 -2.060 1.00 19.92 H new ATOM 0 HG22 VAL A 94 -1.325 -22.802 -2.951 1.00 19.92 H new ATOM 0 HG23 VAL A 94 -1.210 -22.788 -1.371 1.00 19.92 H new ATOM 703 N LEU A 95 -0.370 -18.241 -3.514 1.00 12.54 N ATOM 704 CA LEU A 95 -0.432 -16.799 -3.787 1.00 11.59 C ATOM 705 C LEU A 95 -1.564 -16.542 -4.764 1.00 17.85 C ATOM 706 O LEU A 95 -1.697 -17.270 -5.742 1.00 14.11 O ATOM 707 CB LEU A 95 0.872 -16.261 -4.388 1.00 11.40 C ATOM 708 CG LEU A 95 2.185 -16.574 -3.644 1.00 15.10 C ATOM 709 CD1 LEU A 95 3.311 -15.907 -4.396 1.00 19.92 C ATOM 710 CD2 LEU A 95 2.144 -16.162 -2.199 1.00 24.60 C ATOM 0 H LEU A 95 -0.061 -18.706 -4.168 1.00 12.54 H new ATOM 0 HA LEU A 95 -0.577 -16.341 -2.944 1.00 11.59 H new ATOM 0 HB2 LEU A 95 0.950 -16.608 -5.291 1.00 11.40 H new ATOM 0 HB3 LEU A 95 0.792 -15.297 -4.460 1.00 11.40 H new ATOM 0 HG LEU A 95 2.324 -17.534 -3.624 1.00 15.10 H new ATOM 0 HD11 LEU A 95 4.152 -16.088 -3.948 1.00 19.92 H new ATOM 0 HD12 LEU A 95 3.346 -16.254 -5.301 1.00 19.92 H new ATOM 0 HD13 LEU A 95 3.160 -14.949 -4.423 1.00 19.92 H new ATOM 0 HD21 LEU A 95 2.990 -16.379 -1.776 1.00 24.60 H new ATOM 0 HD22 LEU A 95 1.989 -15.206 -2.139 1.00 24.60 H new ATOM 0 HD23 LEU A 95 1.427 -16.634 -1.748 1.00 24.60 H new ATOM 711 N HIS A 96 -2.418 -15.553 -4.468 1.00 16.66 N ATOM 712 CA HIS A 96 -3.496 -15.162 -5.405 1.00 13.97 C ATOM 713 C HIS A 96 -3.354 -13.682 -5.689 1.00 16.61 C ATOM 714 O HIS A 96 -3.120 -12.898 -4.781 1.00 17.09 O ATOM 715 CB AHIS A 96 -4.841 -15.497 -4.774 0.35 14.40 C ATOM 716 CB BHIS A 96 -4.882 -15.312 -4.773 0.65 17.09 C ATOM 717 CG AHIS A 96 -6.013 -15.142 -5.621 0.35 10.67 C ATOM 718 CG BHIS A 96 -5.376 -16.717 -4.644 0.65 26.94 C ATOM 719 ND1AHIS A 96 -6.481 -13.850 -5.735 0.35 16.97 N ATOM 720 ND1BHIS A 96 -5.167 -17.479 -3.514 0.65 31.11 N ATOM 721 CD2AHIS A 96 -6.828 -15.908 -6.383 0.35 20.55 C ATOM 722 CD2BHIS A 96 -6.155 -17.464 -5.463 0.65 29.40 C ATOM 723 CE1AHIS A 96 -7.525 -13.834 -6.544 0.35 17.30 C ATOM 724 CE1BHIS A 96 -5.756 -18.652 -3.662 0.65 32.13 C ATOM 725 NE2AHIS A 96 -7.758 -15.070 -6.947 0.35 19.85 N ATOM 726 NE2BHIS A 96 -6.355 -18.671 -4.839 0.65 32.63 N ATOM 0 H HIS A 96 -2.395 -15.097 -3.739 1.00 16.66 H new ATOM 0 HA HIS A 96 -3.436 -15.644 -6.244 1.00 13.97 H new ATOM 0 HB2AHIS A 96 -4.869 -16.447 -4.581 0.35 17.09 H new ATOM 0 HB2BHIS A 96 -4.865 -14.909 -3.891 0.65 17.09 H new ATOM 0 HB3AHIS A 96 -4.914 -15.033 -3.926 0.35 17.09 H new ATOM 0 HB3BHIS A 96 -5.519 -14.808 -5.303 0.65 17.09 H new ATOM 0 HD2AHIS A 96 -6.769 -16.828 -6.502 0.35 29.40 H new ATOM 0 HD2BHIS A 96 -6.491 -17.208 -6.291 0.65 29.40 H new ATOM 0 HE1AHIS A 96 -8.013 -13.081 -6.788 0.35 32.13 H new ATOM 0 HE1BHIS A 96 -5.750 -19.346 -3.043 0.65 32.13 H new ATOM 0 HE2AHIS A 96 -8.391 -15.311 -7.477 0.35 32.63 H new ATOM 0 HE2BHIS A 96 -6.799 -19.333 -5.163 0.65 32.63 H new ATOM 727 N SER A 97 -3.496 -13.277 -6.947 1.00 15.67 N ATOM 728 CA SER A 97 -3.382 -11.851 -7.234 1.00 16.81 C ATOM 729 C SER A 97 -4.237 -11.505 -8.432 1.00 20.90 C ATOM 730 O SER A 97 -4.893 -12.387 -9.008 1.00 19.56 O ATOM 731 CB SER A 97 -1.919 -11.459 -7.442 1.00 19.51 C ATOM 732 OG SER A 97 -1.434 -11.960 -8.675 1.00 24.25 O ATOM 0 H SER A 97 -3.652 -13.786 -7.623 1.00 15.67 H new ATOM 0 HA SER A 97 -3.707 -11.341 -6.476 1.00 16.81 H new ATOM 0 HB2 SER A 97 -1.833 -10.493 -7.424 1.00 19.51 H new ATOM 0 HB3 SER A 97 -1.380 -11.805 -6.713 1.00 19.51 H new ATOM 0 HG SER A 97 -1.131 -12.735 -8.563 1.00 24.25 H new ATOM 733 N GLU A 98 -4.244 -10.223 -8.774 1.00 18.49 N ATOM 734 CA GLU A 98 -5.102 -9.711 -9.843 1.00 22.49 C ATOM 735 C GLU A 98 -4.269 -8.987 -10.856 1.00 24.91 C ATOM 736 O GLU A 98 -3.240 -8.382 -10.525 1.00 24.13 O ATOM 737 CB GLU A 98 -6.165 -8.764 -9.277 1.00 23.40 C ATOM 738 CG GLU A 98 -7.255 -9.495 -8.563 1.00 21.46 C ATOM 739 CD GLU A 98 -8.244 -8.551 -7.918 1.00 54.59 C ATOM 740 OE1 GLU A 98 -8.426 -7.437 -8.454 1.00 54.59 O ATOM 741 OE2 GLU A 98 -8.835 -8.922 -6.879 1.00 56.80 O ATOM 0 H GLU A 98 -3.755 -9.625 -8.397 1.00 18.49 H new ATOM 0 HA GLU A 98 -5.549 -10.461 -10.266 1.00 22.49 H new ATOM 0 HB2 GLU A 98 -5.745 -8.138 -8.667 1.00 23.40 H new ATOM 0 HB3 GLU A 98 -6.548 -8.242 -10.000 1.00 23.40 H new ATOM 0 HG2 GLU A 98 -7.721 -10.071 -9.189 1.00 21.46 H new ATOM 0 HG3 GLU A 98 -6.867 -10.069 -7.884 1.00 21.46 H new ATOM 742 N PHE A 99 -4.697 -9.060 -12.120 1.00 20.54 N ATOM 743 CA PHE A 99 -3.985 -8.337 -13.158 1.00 20.56 C ATOM 744 C PHE A 99 -4.969 -7.890 -14.250 1.00 21.01 C ATOM 745 O PHE A 99 -6.114 -8.358 -14.298 1.00 22.75 O ATOM 746 CB PHE A 99 -2.864 -9.171 -13.753 1.00 19.75 C ATOM 747 CG PHE A 99 -3.346 -10.361 -14.537 1.00 29.10 C ATOM 748 CD1 PHE A 99 -3.225 -10.381 -15.920 1.00 26.28 C ATOM 749 CD2 PHE A 99 -3.964 -11.441 -13.894 1.00 20.51 C ATOM 750 CE1 PHE A 99 -3.695 -11.483 -16.660 1.00 24.65 C ATOM 751 CE2 PHE A 99 -4.436 -12.553 -14.630 1.00 20.44 C ATOM 752 CZ PHE A 99 -4.291 -12.553 -16.016 1.00 19.84 C ATOM 0 H PHE A 99 -5.379 -9.511 -12.385 1.00 20.54 H new ATOM 0 HA PHE A 99 -3.578 -7.553 -12.757 1.00 20.56 H new ATOM 0 HB2 PHE A 99 -2.326 -8.609 -14.332 1.00 19.75 H new ATOM 0 HB3 PHE A 99 -2.285 -9.478 -13.038 1.00 19.75 H new ATOM 0 HD1 PHE A 99 -2.831 -9.663 -16.360 1.00 26.28 H new ATOM 0 HD2 PHE A 99 -4.066 -11.427 -12.970 1.00 20.51 H new ATOM 0 HE1 PHE A 99 -3.604 -11.492 -17.586 1.00 24.65 H new ATOM 0 HE2 PHE A 99 -4.836 -13.272 -14.196 1.00 20.44 H new ATOM 0 HZ PHE A 99 -4.597 -13.278 -16.512 1.00 19.84 H new ATOM 753 N ASP A 100 -4.510 -6.944 -15.065 1.00 27.87 N ATOM 754 CA ASP A 100 -5.263 -6.450 -16.228 1.00 30.56 C ATOM 755 C ASP A 100 -6.728 -6.140 -15.912 1.00 33.29 C ATOM 756 O ASP A 100 -7.637 -6.535 -16.643 1.00 39.93 O ATOM 757 CB ASP A 100 -5.141 -7.446 -17.405 1.00 25.18 C ATOM 758 CG ASP A 100 -3.717 -7.584 -17.908 1.00 39.02 C ATOM 759 OD1 ASP A 100 -3.465 -8.478 -18.752 1.00 54.72 O ATOM 760 OD2 ASP A 100 -2.836 -6.809 -17.463 1.00 60.64 O ATOM 0 H ASP A 100 -3.745 -6.564 -14.961 1.00 27.87 H new ATOM 0 HA ASP A 100 -4.864 -5.604 -16.485 1.00 30.56 H new ATOM 0 HB2 ASP A 100 -5.466 -8.315 -17.123 1.00 25.18 H new ATOM 0 HB3 ASP A 100 -5.710 -7.152 -18.133 1.00 25.18 H new ATOM 761 N GLY A 101 -6.952 -5.449 -14.801 1.00 38.07 N ATOM 762 CA GLY A 101 -8.295 -5.023 -14.434 1.00 37.24 C ATOM 763 C GLY A 101 -9.198 -6.064 -13.802 1.00 40.66 C ATOM 764 O GLY A 101 -10.420 -6.013 -13.972 1.00 46.70 O ATOM 0 H GLY A 101 -6.338 -5.216 -14.245 1.00 38.07 H new ATOM 0 HA2 GLY A 101 -8.217 -4.278 -13.818 1.00 37.24 H new ATOM 0 HA3 GLY A 101 -8.734 -4.688 -15.232 1.00 37.24 H new ATOM 765 N GLY A 102 -8.622 -7.012 -13.065 1.00 31.80 N ATOM 766 CA GLY A 102 -9.451 -7.881 -12.240 1.00 30.79 C ATOM 767 C GLY A 102 -9.459 -9.358 -12.582 1.00 21.65 C ATOM 768 O GLY A 102 -10.074 -10.158 -11.858 1.00 33.08 O ATOM 0 H GLY A 102 -7.776 -7.165 -13.029 1.00 31.80 H new ATOM 0 HA2 GLY A 102 -9.162 -7.787 -11.319 1.00 30.79 H new ATOM 0 HA3 GLY A 102 -10.364 -7.557 -12.285 1.00 30.79 H new ATOM 769 N PHE A 103 -8.799 -9.728 -13.683 1.00 24.43 N ATOM 770 CA PHE A 103 -8.505 -11.148 -13.935 1.00 17.92 C ATOM 771 C PHE A 103 -7.592 -11.627 -12.804 1.00 22.64 C ATOM 772 O PHE A 103 -6.880 -10.820 -12.203 1.00 22.14 O ATOM 773 CB PHE A 103 -7.864 -11.303 -15.299 1.00 20.03 C ATOM 774 CG PHE A 103 -8.869 -11.184 -16.386 1.00 22.79 C ATOM 775 CD1 PHE A 103 -9.095 -9.976 -17.039 1.00 30.97 C ATOM 776 CD2 PHE A 103 -9.660 -12.275 -16.665 1.00 19.68 C ATOM 777 CE1 PHE A 103 -10.120 -9.880 -18.028 1.00 18.28 C ATOM 778 CE2 PHE A 103 -10.658 -12.192 -17.620 1.00 34.99 C ATOM 779 CZ PHE A 103 -10.881 -11.002 -18.285 1.00 19.96 C ATOM 0 H PHE A 103 -8.516 -9.186 -14.288 1.00 24.43 H new ATOM 0 HA PHE A 103 -9.311 -11.688 -13.945 1.00 17.92 H new ATOM 0 HB2 PHE A 103 -7.178 -10.627 -15.415 1.00 20.03 H new ATOM 0 HB3 PHE A 103 -7.424 -12.166 -15.356 1.00 20.03 H new ATOM 0 HD1 PHE A 103 -8.578 -9.231 -16.831 1.00 30.97 H new ATOM 0 HD2 PHE A 103 -9.523 -13.074 -16.209 1.00 19.68 H new ATOM 0 HE1 PHE A 103 -10.270 -9.085 -18.486 1.00 18.28 H new ATOM 0 HE2 PHE A 103 -11.179 -12.938 -17.814 1.00 34.99 H new ATOM 0 HZ PHE A 103 -11.559 -10.956 -18.920 1.00 19.96 H new ATOM 780 N THR A 104 -7.612 -12.917 -12.523 1.00 15.56 N ATOM 781 CA THR A 104 -6.937 -13.454 -11.325 1.00 18.34 C ATOM 782 C THR A 104 -5.918 -14.485 -11.741 1.00 23.25 C ATOM 783 O THR A 104 -6.107 -15.190 -12.735 1.00 16.54 O ATOM 784 CB THR A 104 -7.924 -14.125 -10.312 1.00 18.73 C ATOM 785 OG1 THR A 104 -8.572 -15.249 -10.906 1.00 26.57 O ATOM 786 CG2 THR A 104 -8.994 -13.162 -9.816 1.00 21.40 C ATOM 0 H THR A 104 -8.008 -13.509 -13.005 1.00 15.56 H new ATOM 0 HA THR A 104 -6.521 -12.699 -10.881 1.00 18.34 H new ATOM 0 HB THR A 104 -7.385 -14.405 -9.556 1.00 18.73 H new ATOM 0 HG1 THR A 104 -8.118 -15.942 -10.764 1.00 26.57 H new ATOM 0 HG21 THR A 104 -9.579 -13.621 -9.193 1.00 21.40 H new ATOM 0 HG22 THR A 104 -8.572 -12.412 -9.369 1.00 21.40 H new ATOM 0 HG23 THR A 104 -9.513 -12.839 -10.569 1.00 21.40 H new ATOM 787 N SER A 105 -4.824 -14.566 -10.992 1.00 17.68 N ATOM 788 CA SER A 105 -3.917 -15.700 -11.162 1.00 15.47 C ATOM 789 C SER A 105 -3.538 -16.245 -9.806 1.00 16.32 C ATOM 790 O SER A 105 -3.639 -15.543 -8.778 1.00 21.21 O ATOM 791 CB SER A 105 -2.691 -15.341 -11.988 1.00 22.40 C ATOM 792 OG SER A 105 -1.893 -14.366 -11.346 1.00 29.81 O ATOM 0 H SER A 105 -4.591 -13.993 -10.395 1.00 17.68 H new ATOM 0 HA SER A 105 -4.380 -16.390 -11.662 1.00 15.47 H new ATOM 0 HB2 SER A 105 -2.162 -16.139 -12.146 1.00 22.40 H new ATOM 0 HB3 SER A 105 -2.971 -15.010 -12.856 1.00 22.40 H new ATOM 0 HG SER A 105 -1.225 -14.191 -11.825 1.00 29.81 H new ATOM 793 N GLU A 106 -3.138 -17.510 -9.786 1.00 13.98 N ATOM 794 CA GLU A 106 -2.791 -18.145 -8.518 1.00 13.56 C ATOM 795 C GLU A 106 -1.570 -19.014 -8.780 1.00 14.38 C ATOM 796 O GLU A 106 -1.388 -19.532 -9.886 1.00 13.06 O ATOM 797 CB GLU A 106 -3.989 -18.976 -8.084 1.00 16.52 C ATOM 798 CG GLU A 106 -3.833 -19.839 -6.878 1.00 29.32 C ATOM 799 CD GLU A 106 -5.170 -20.474 -6.506 1.00 37.67 C ATOM 800 OE1 GLU A 106 -6.213 -19.828 -6.758 1.00 53.10 O ATOM 801 OE2 GLU A 106 -5.188 -21.597 -5.973 1.00 43.03 O ATOM 0 H GLU A 106 -3.061 -18.012 -10.480 1.00 13.98 H new ATOM 0 HA GLU A 106 -2.584 -17.510 -7.815 1.00 13.56 H new ATOM 0 HB2 GLU A 106 -4.730 -18.371 -7.924 1.00 16.52 H new ATOM 0 HB3 GLU A 106 -4.243 -19.545 -8.827 1.00 16.52 H new ATOM 0 HG2 GLU A 106 -3.176 -20.531 -7.051 1.00 29.32 H new ATOM 0 HG3 GLU A 106 -3.501 -19.311 -6.135 1.00 29.32 H new ATOM 802 N VAL A 107 -0.699 -19.146 -7.780 1.00 15.36 N ATOM 803 CA VAL A 107 0.436 -20.058 -7.909 1.00 13.96 C ATOM 804 C VAL A 107 0.686 -20.692 -6.530 1.00 12.80 C ATOM 805 O VAL A 107 0.496 -20.022 -5.511 1.00 12.53 O ATOM 806 CB VAL A 107 1.721 -19.415 -8.518 1.00 16.41 C ATOM 807 CG1 VAL A 107 2.462 -18.551 -7.481 1.00 17.27 C ATOM 808 CG2 VAL A 107 2.651 -20.528 -9.046 1.00 17.12 C ATOM 0 H VAL A 107 -0.745 -18.725 -7.032 1.00 15.36 H new ATOM 0 HA VAL A 107 0.207 -20.740 -8.559 1.00 13.96 H new ATOM 0 HB VAL A 107 1.457 -18.835 -9.249 1.00 16.41 H new ATOM 0 HG11 VAL A 107 3.254 -18.166 -7.887 1.00 17.27 H new ATOM 0 HG12 VAL A 107 1.878 -17.840 -7.175 1.00 17.27 H new ATOM 0 HG13 VAL A 107 2.722 -19.102 -6.726 1.00 17.27 H new ATOM 0 HG21 VAL A 107 3.450 -20.130 -9.425 1.00 17.12 H new ATOM 0 HG22 VAL A 107 2.899 -21.117 -8.316 1.00 17.12 H new ATOM 0 HG23 VAL A 107 2.189 -21.038 -9.730 1.00 17.12 H new ATOM 809 N ARG A 108 1.091 -21.964 -6.525 1.00 11.79 N ATOM 810 CA ARG A 108 1.436 -22.671 -5.289 1.00 11.65 C ATOM 811 C ARG A 108 2.920 -22.996 -5.377 1.00 11.66 C ATOM 812 O ARG A 108 3.386 -23.628 -6.362 1.00 14.05 O ATOM 813 CB ARG A 108 0.591 -23.933 -5.209 1.00 17.91 C ATOM 814 CG ARG A 108 0.865 -24.813 -3.983 1.00 15.01 C ATOM 815 CD ARG A 108 -0.294 -25.809 -3.830 1.00 18.60 C ATOM 816 NE ARG A 108 0.099 -26.860 -2.919 1.00 24.01 N ATOM 817 CZ ARG A 108 0.876 -27.876 -3.265 1.00 20.62 C ATOM 818 NH1 ARG A 108 1.318 -27.980 -4.528 1.00 21.38 N ATOM 819 NH2 ARG A 108 1.216 -28.774 -2.356 1.00 21.19 N ATOM 0 H ARG A 108 1.173 -22.440 -7.236 1.00 11.79 H new ATOM 0 HA ARG A 108 1.263 -22.145 -4.493 1.00 11.65 H new ATOM 0 HB2 ARG A 108 -0.346 -23.681 -5.208 1.00 17.91 H new ATOM 0 HB3 ARG A 108 0.742 -24.459 -6.010 1.00 17.91 H new ATOM 0 HG2 ARG A 108 1.705 -25.287 -4.089 1.00 15.01 H new ATOM 0 HG3 ARG A 108 0.947 -24.266 -3.186 1.00 15.01 H new ATOM 0 HD2 ARG A 108 -1.083 -25.355 -3.496 1.00 18.60 H new ATOM 0 HD3 ARG A 108 -0.528 -26.185 -4.693 1.00 18.60 H new ATOM 0 HE ARG A 108 -0.187 -26.824 -2.109 1.00 24.01 H new ATOM 0 HH11 ARG A 108 1.097 -27.388 -5.111 1.00 21.38 H new ATOM 0 HH12 ARG A 108 1.822 -28.639 -4.754 1.00 21.38 H new ATOM 0 HH21 ARG A 108 0.933 -28.696 -1.548 1.00 21.19 H new ATOM 0 HH22 ARG A 108 1.720 -29.436 -2.573 1.00 21.19 H new ATOM 820 N GLY A 109 3.705 -22.558 -4.391 1.00 10.60 N ATOM 821 CA GLY A 109 5.180 -22.710 -4.496 1.00 10.28 C ATOM 822 C GLY A 109 5.770 -22.960 -3.121 1.00 13.14 C ATOM 823 O GLY A 109 5.048 -22.853 -2.115 1.00 12.36 O ATOM 0 H GLY A 109 3.425 -22.180 -3.671 1.00 10.60 H new ATOM 0 HA2 GLY A 109 5.396 -23.447 -5.089 1.00 10.28 H new ATOM 0 HA3 GLY A 109 5.569 -21.910 -4.884 1.00 10.28 H new ATOM 824 N VAL A 110 7.053 -23.313 -3.104 1.00 11.62 N ATOM 825 CA VAL A 110 7.794 -23.452 -1.867 1.00 9.66 C ATOM 826 C VAL A 110 8.469 -22.107 -1.644 1.00 9.77 C ATOM 827 O VAL A 110 9.098 -21.541 -2.557 1.00 8.81 O ATOM 828 CB VAL A 110 8.878 -24.552 -1.952 1.00 11.66 C ATOM 829 CG1 VAL A 110 9.942 -24.374 -0.838 1.00 14.23 C ATOM 830 CG2 VAL A 110 8.217 -25.940 -1.831 1.00 13.02 C ATOM 0 H VAL A 110 7.513 -23.477 -3.812 1.00 11.62 H new ATOM 0 HA VAL A 110 7.196 -23.706 -1.147 1.00 9.66 H new ATOM 0 HB VAL A 110 9.325 -24.477 -2.810 1.00 11.66 H new ATOM 0 HG11 VAL A 110 10.609 -25.074 -0.913 1.00 14.23 H new ATOM 0 HG12 VAL A 110 10.370 -23.509 -0.934 1.00 14.23 H new ATOM 0 HG13 VAL A 110 9.513 -24.427 0.031 1.00 14.23 H new ATOM 0 HG21 VAL A 110 8.898 -26.629 -1.885 1.00 13.02 H new ATOM 0 HG22 VAL A 110 7.757 -26.006 -0.980 1.00 13.02 H new ATOM 0 HG23 VAL A 110 7.580 -26.059 -2.553 1.00 13.02 H new ATOM 831 N PHE A 111 8.345 -21.578 -0.423 1.00 9.26 N ATOM 832 CA PHE A 111 9.055 -20.343 -0.093 1.00 9.24 C ATOM 833 C PHE A 111 9.961 -20.576 1.116 1.00 10.55 C ATOM 834 O PHE A 111 9.507 -21.134 2.122 1.00 11.32 O ATOM 835 CB PHE A 111 8.068 -19.207 0.199 1.00 12.47 C ATOM 836 CG PHE A 111 7.305 -18.783 -1.039 1.00 12.60 C ATOM 837 CD1 PHE A 111 7.627 -17.610 -1.711 1.00 19.58 C ATOM 838 CD2 PHE A 111 6.302 -19.610 -1.523 1.00 17.31 C ATOM 839 CE1 PHE A 111 6.898 -17.278 -2.876 1.00 15.04 C ATOM 840 CE2 PHE A 111 5.595 -19.273 -2.684 1.00 18.26 C ATOM 841 CZ PHE A 111 5.917 -18.126 -3.326 1.00 13.88 C ATOM 0 H PHE A 111 7.868 -21.909 0.211 1.00 9.26 H new ATOM 0 HA PHE A 111 9.596 -20.085 -0.855 1.00 9.24 H new ATOM 0 HB2 PHE A 111 7.441 -19.492 0.882 1.00 12.47 H new ATOM 0 HB3 PHE A 111 8.550 -18.445 0.557 1.00 12.47 H new ATOM 0 HD1 PHE A 111 8.307 -17.056 -1.401 1.00 19.58 H new ATOM 0 HD2 PHE A 111 6.097 -20.397 -1.072 1.00 17.31 H new ATOM 0 HE1 PHE A 111 7.082 -16.490 -3.334 1.00 15.04 H new ATOM 0 HE2 PHE A 111 4.920 -19.825 -3.006 1.00 18.26 H new ATOM 0 HZ PHE A 111 5.456 -17.904 -4.102 1.00 13.88 H new ATOM 842 N THR A 112 11.210 -20.169 0.982 1.00 8.71 N ATOM 843 CA THR A 112 12.184 -20.301 2.060 1.00 9.72 C ATOM 844 C THR A 112 12.488 -18.952 2.643 1.00 11.94 C ATOM 845 O THR A 112 12.528 -17.943 1.939 1.00 9.38 O ATOM 846 CB THR A 112 13.514 -20.995 1.626 1.00 10.44 C ATOM 847 OG1 THR A 112 14.241 -20.204 0.668 1.00 11.49 O ATOM 848 CG2 THR A 112 13.201 -22.408 1.033 1.00 9.82 C ATOM 0 H THR A 112 11.521 -19.808 0.266 1.00 8.71 H new ATOM 0 HA THR A 112 11.775 -20.877 2.725 1.00 9.72 H new ATOM 0 HB THR A 112 14.075 -21.088 2.412 1.00 10.44 H new ATOM 0 HG1 THR A 112 14.808 -20.686 0.278 1.00 11.49 H new ATOM 0 HG21 THR A 112 14.028 -22.837 0.764 1.00 9.82 H new ATOM 0 HG22 THR A 112 12.759 -22.951 1.705 1.00 9.82 H new ATOM 0 HG23 THR A 112 12.621 -22.314 0.261 1.00 9.82 H new ATOM 849 N TYR A 113 12.706 -18.933 3.949 1.00 12.26 N ATOM 850 CA TYR A 113 13.037 -17.681 4.626 1.00 8.49 C ATOM 851 C TYR A 113 14.276 -17.890 5.489 1.00 11.92 C ATOM 852 O TYR A 113 14.427 -18.941 6.108 1.00 12.23 O ATOM 853 CB TYR A 113 11.921 -17.223 5.576 1.00 11.50 C ATOM 854 CG TYR A 113 10.588 -16.899 4.911 1.00 11.94 C ATOM 855 CD1 TYR A 113 10.096 -15.580 4.887 1.00 15.18 C ATOM 856 CD2 TYR A 113 9.814 -17.906 4.341 1.00 11.79 C ATOM 857 CE1 TYR A 113 8.873 -15.297 4.292 1.00 16.83 C ATOM 858 CE2 TYR A 113 8.596 -17.621 3.727 1.00 12.54 C ATOM 859 CZ TYR A 113 8.129 -16.313 3.728 1.00 15.48 C ATOM 860 OH TYR A 113 6.917 -16.042 3.134 1.00 16.88 O ATOM 0 H TYR A 113 12.669 -19.624 4.460 1.00 12.26 H new ATOM 0 HA TYR A 113 13.172 -17.014 3.934 1.00 8.49 H new ATOM 0 HB2 TYR A 113 11.775 -17.917 6.237 1.00 11.50 H new ATOM 0 HB3 TYR A 113 12.227 -16.436 6.054 1.00 11.50 H new ATOM 0 HD1 TYR A 113 10.593 -14.894 5.272 1.00 15.18 H new ATOM 0 HD2 TYR A 113 10.115 -18.785 4.371 1.00 11.79 H new ATOM 0 HE1 TYR A 113 8.556 -14.423 4.274 1.00 16.83 H new ATOM 0 HE2 TYR A 113 8.103 -18.297 3.322 1.00 12.54 H new ATOM 0 HH TYR A 113 6.895 -16.390 2.370 1.00 16.88 H new ATOM 861 N ARG A 114 15.104 -16.865 5.532 1.00 10.18 N ATOM 862 CA ARG A 114 16.238 -16.833 6.479 1.00 10.49 C ATOM 863 C ARG A 114 16.130 -15.520 7.265 1.00 13.90 C ATOM 864 O ARG A 114 15.892 -14.466 6.680 1.00 11.40 O ATOM 865 CB ARG A 114 17.565 -16.898 5.728 1.00 11.24 C ATOM 866 CG ARG A 114 18.803 -16.992 6.699 1.00 14.35 C ATOM 867 CD ARG A 114 20.095 -16.865 5.938 1.00 18.79 C ATOM 868 NE ARG A 114 21.261 -16.837 6.841 1.00 25.64 N ATOM 869 CZ ARG A 114 21.745 -15.749 7.453 1.00 40.86 C ATOM 870 NH1 ARG A 114 21.170 -14.553 7.303 1.00 21.50 N ATOM 871 NH2 ARG A 114 22.818 -15.862 8.247 1.00 33.04 N ATOM 0 H ARG A 114 15.039 -16.171 5.028 1.00 10.18 H new ATOM 0 HA ARG A 114 16.207 -17.596 7.077 1.00 10.49 H new ATOM 0 HB2 ARG A 114 17.562 -17.667 5.137 1.00 11.24 H new ATOM 0 HB3 ARG A 114 17.656 -16.111 5.168 1.00 11.24 H new ATOM 0 HG2 ARG A 114 18.748 -16.292 7.368 1.00 14.35 H new ATOM 0 HG3 ARG A 114 18.784 -17.839 7.172 1.00 14.35 H new ATOM 0 HD2 ARG A 114 20.181 -17.608 5.321 1.00 18.79 H new ATOM 0 HD3 ARG A 114 20.079 -16.054 5.405 1.00 18.79 H new ATOM 0 HE ARG A 114 21.664 -17.583 6.987 1.00 25.64 H new ATOM 0 HH11 ARG A 114 20.474 -14.470 6.805 1.00 21.50 H new ATOM 0 HH12 ARG A 114 21.496 -13.866 7.705 1.00 21.50 H new ATOM 0 HH21 ARG A 114 23.190 -16.629 8.360 1.00 33.04 H new ATOM 0 HH22 ARG A 114 23.135 -15.168 8.643 1.00 33.04 H new ATOM 872 N VAL A 115 16.330 -15.589 8.579 1.00 11.92 N ATOM 873 CA VAL A 115 16.493 -14.354 9.396 1.00 14.46 C ATOM 874 C VAL A 115 17.903 -14.293 9.977 1.00 18.28 C ATOM 875 O VAL A 115 18.612 -15.320 10.083 1.00 14.74 O ATOM 876 CB VAL A 115 15.419 -14.222 10.524 1.00 12.81 C ATOM 877 CG1 VAL A 115 14.031 -14.187 9.972 1.00 14.25 C ATOM 878 CG2 VAL A 115 15.519 -15.376 11.553 1.00 16.34 C ATOM 0 H VAL A 115 16.376 -16.323 9.024 1.00 11.92 H new ATOM 0 HA VAL A 115 16.357 -13.599 8.802 1.00 14.46 H new ATOM 0 HB VAL A 115 15.604 -13.381 10.970 1.00 12.81 H new ATOM 0 HG11 VAL A 115 13.395 -14.105 10.700 1.00 14.25 H new ATOM 0 HG12 VAL A 115 13.939 -13.428 9.375 1.00 14.25 H new ATOM 0 HG13 VAL A 115 13.857 -15.006 9.482 1.00 14.25 H new ATOM 0 HG21 VAL A 115 14.839 -15.261 12.236 1.00 16.34 H new ATOM 0 HG22 VAL A 115 15.384 -16.224 11.102 1.00 16.34 H new ATOM 0 HG23 VAL A 115 16.397 -15.366 11.966 1.00 16.34 H new ATOM 879 N ASN A 116 18.352 -13.082 10.299 1.00 17.32 N ATOM 880 CA ASN A 116 19.613 -12.935 11.038 1.00 18.63 C ATOM 881 C ASN A 116 19.348 -13.120 12.543 1.00 14.32 C ATOM 882 O ASN A 116 18.223 -13.421 12.954 1.00 20.03 O ATOM 883 CB ASN A 116 20.276 -11.595 10.695 1.00 19.03 C ATOM 884 CG ASN A 116 19.420 -10.392 11.082 1.00 14.50 C ATOM 885 OD1 ASN A 116 18.502 -10.489 11.918 1.00 19.19 O ATOM 886 ND2 ASN A 116 19.702 -9.249 10.461 1.00 19.47 N ATOM 0 H ASN A 116 17.954 -12.345 10.106 1.00 17.32 H new ATOM 0 HA ASN A 116 20.243 -13.623 10.774 1.00 18.63 H new ATOM 0 HB2 ASN A 116 21.131 -11.537 11.149 1.00 19.03 H new ATOM 0 HB3 ASN A 116 20.458 -11.564 9.743 1.00 19.03 H new ATOM 0 HD21 ASN A 116 19.243 -8.542 10.632 1.00 19.47 H new ATOM 0 HD22 ASN A 116 20.343 -9.217 9.889 1.00 19.47 H new ATOM 887 N LYS A 117 20.390 -12.966 13.366 1.00 25.34 N ATOM 888 CA LYS A 117 20.269 -13.180 14.828 1.00 26.89 C ATOM 889 C LYS A 117 19.310 -12.218 15.527 1.00 28.53 C ATOM 890 O LYS A 117 18.624 -12.589 16.512 1.00 26.86 O ATOM 891 CB LYS A 117 21.647 -13.169 15.500 1.00 27.35 C ATOM 892 CG LYS A 117 22.457 -14.439 15.237 1.00 32.57 C ATOM 893 CD LYS A 117 21.645 -15.725 15.488 1.00 37.00 C ATOM 894 CE LYS A 117 22.486 -16.974 15.216 1.00 51.61 C ATOM 895 NZ LYS A 117 21.787 -18.205 15.704 1.00 53.34 N ATOM 0 H LYS A 117 21.177 -12.739 13.105 1.00 25.34 H new ATOM 0 HA LYS A 117 19.872 -14.059 14.930 1.00 26.89 H new ATOM 0 HB2 LYS A 117 22.148 -12.401 15.183 1.00 27.35 H new ATOM 0 HB3 LYS A 117 21.533 -13.058 16.457 1.00 27.35 H new ATOM 0 HG2 LYS A 117 22.771 -14.433 14.319 1.00 32.57 H new ATOM 0 HG3 LYS A 117 23.243 -14.441 15.806 1.00 32.57 H new ATOM 0 HD2 LYS A 117 21.330 -15.738 16.405 1.00 37.00 H new ATOM 0 HD3 LYS A 117 20.860 -15.731 14.919 1.00 37.00 H new ATOM 0 HE2 LYS A 117 22.659 -17.051 14.265 1.00 51.61 H new ATOM 0 HE3 LYS A 117 23.347 -16.891 15.655 1.00 51.61 H new ATOM 0 HZ1 LYS A 117 22.291 -18.919 15.537 1.00 53.34 H new ATOM 0 HZ2 LYS A 117 21.647 -18.140 16.581 1.00 53.34 H new ATOM 0 HZ3 LYS A 117 21.006 -18.289 15.285 1.00 53.34 H new ATOM 896 N ALA A 118 19.214 -11.008 14.963 1.00 27.78 N ATOM 897 CA ALA A 118 18.226 -10.020 15.367 1.00 27.72 C ATOM 898 C ALA A 118 16.788 -10.363 14.990 1.00 26.31 C ATOM 899 O ALA A 118 15.849 -9.729 15.468 1.00 28.89 O ATOM 900 CB ALA A 118 18.618 -8.631 14.803 1.00 29.74 C ATOM 0 H ALA A 118 19.730 -10.742 14.329 1.00 27.78 H new ATOM 0 HA ALA A 118 18.237 -10.012 16.337 1.00 27.72 H new ATOM 0 HB1 ALA A 118 17.958 -7.974 15.073 1.00 29.74 H new ATOM 0 HB2 ALA A 118 19.488 -8.376 15.147 1.00 29.74 H new ATOM 0 HB3 ALA A 118 18.654 -8.673 13.835 1.00 29.74 H new ATOM 901 N GLY A 119 16.603 -11.358 14.109 1.00 19.79 N ATOM 902 CA GLY A 119 15.277 -11.833 13.794 1.00 16.40 C ATOM 903 C GLY A 119 14.707 -11.185 12.531 1.00 11.20 C ATOM 904 O GLY A 119 13.515 -11.400 12.234 1.00 15.34 O ATOM 0 H GLY A 119 17.238 -11.761 13.692 1.00 19.79 H new ATOM 0 HA2 GLY A 119 15.301 -12.796 13.677 1.00 16.40 H new ATOM 0 HA3 GLY A 119 14.686 -11.652 14.542 1.00 16.40 H new ATOM 905 N LEU A 120 15.552 -10.410 11.856 1.00 15.00 N ATOM 906 CA LEU A 120 15.093 -9.688 10.631 1.00 18.69 C ATOM 907 C LEU A 120 15.317 -10.572 9.414 1.00 15.06 C ATOM 908 O LEU A 120 16.324 -11.287 9.331 1.00 16.07 O ATOM 909 CB LEU A 120 15.845 -8.364 10.451 1.00 19.54 C ATOM 910 CG LEU A 120 15.537 -7.363 11.595 1.00 19.26 C ATOM 911 CD1 LEU A 120 16.155 -6.018 11.244 1.00 21.71 C ATOM 912 CD2 LEU A 120 14.027 -7.281 11.871 1.00 17.10 C ATOM 0 H LEU A 120 16.375 -10.280 12.069 1.00 15.00 H new ATOM 0 HA LEU A 120 14.149 -9.487 10.729 1.00 18.69 H new ATOM 0 HB2 LEU A 120 16.799 -8.536 10.421 1.00 19.54 H new ATOM 0 HB3 LEU A 120 15.601 -7.967 9.600 1.00 19.54 H new ATOM 0 HG LEU A 120 15.934 -7.670 12.425 1.00 19.26 H new ATOM 0 HD11 LEU A 120 15.970 -5.382 11.952 1.00 21.71 H new ATOM 0 HD12 LEU A 120 17.115 -6.119 11.144 1.00 21.71 H new ATOM 0 HD13 LEU A 120 15.776 -5.695 10.412 1.00 21.71 H new ATOM 0 HD21 LEU A 120 13.863 -6.650 12.589 1.00 17.10 H new ATOM 0 HD22 LEU A 120 13.567 -6.986 11.070 1.00 17.10 H new ATOM 0 HD23 LEU A 120 13.697 -8.156 12.129 1.00 17.10 H new ATOM 913 N ILE A 121 14.394 -10.477 8.454 1.00 15.23 N ATOM 914 CA ILE A 121 14.494 -11.270 7.228 1.00 13.37 C ATOM 915 C ILE A 121 15.650 -10.832 6.327 1.00 13.82 C ATOM 916 O ILE A 121 15.738 -9.668 5.875 1.00 15.02 O ATOM 917 CB ILE A 121 13.159 -11.255 6.424 1.00 12.91 C ATOM 918 CG1 ILE A 121 12.022 -11.873 7.227 1.00 13.83 C ATOM 919 CG2 ILE A 121 13.335 -12.014 5.073 1.00 12.02 C ATOM 920 CD1 ILE A 121 10.615 -11.569 6.700 1.00 14.31 C ATOM 0 H ILE A 121 13.706 -9.962 8.493 1.00 15.23 H new ATOM 0 HA ILE A 121 14.677 -12.177 7.517 1.00 13.37 H new ATOM 0 HB ILE A 121 12.930 -10.330 6.243 1.00 12.91 H new ATOM 0 HG12 ILE A 121 12.144 -12.835 7.247 1.00 13.83 H new ATOM 0 HG13 ILE A 121 12.084 -11.560 8.143 1.00 13.83 H new ATOM 0 HG21 ILE A 121 12.499 -11.998 4.582 1.00 12.02 H new ATOM 0 HG22 ILE A 121 14.027 -11.583 4.547 1.00 12.02 H new ATOM 0 HG23 ILE A 121 13.589 -12.933 5.249 1.00 12.02 H new ATOM 0 HD11 ILE A 121 9.957 -11.999 7.268 1.00 14.31 H new ATOM 0 HD12 ILE A 121 10.468 -10.610 6.704 1.00 14.31 H new ATOM 0 HD13 ILE A 121 10.529 -11.905 5.794 1.00 14.31 H new ATOM 921 N THR A 122 16.545 -11.769 6.033 1.00 12.88 N ATOM 922 CA THR A 122 17.637 -11.505 5.121 1.00 12.41 C ATOM 923 C THR A 122 17.370 -12.085 3.722 1.00 12.38 C ATOM 924 O THR A 122 17.941 -11.638 2.755 1.00 13.97 O ATOM 925 CB THR A 122 19.012 -12.042 5.643 1.00 17.09 C ATOM 926 OG1 THR A 122 18.964 -13.485 5.776 1.00 15.62 O ATOM 927 CG2 THR A 122 19.321 -11.406 7.014 1.00 19.53 C ATOM 0 H THR A 122 16.533 -12.566 6.355 1.00 12.88 H new ATOM 0 HA THR A 122 17.691 -10.538 5.063 1.00 12.41 H new ATOM 0 HB THR A 122 19.708 -11.807 5.010 1.00 17.09 H new ATOM 0 HG1 THR A 122 18.576 -13.688 6.493 1.00 15.62 H new ATOM 0 HG21 THR A 122 20.173 -11.737 7.340 1.00 19.53 H new ATOM 0 HG22 THR A 122 19.364 -10.441 6.921 1.00 19.53 H new ATOM 0 HG23 THR A 122 18.621 -11.639 7.644 1.00 19.53 H new ATOM 928 N ASN A 123 16.565 -13.129 3.650 1.00 13.37 N ATOM 929 CA ASN A 123 16.320 -13.781 2.352 1.00 12.35 C ATOM 930 C ASN A 123 14.929 -14.337 2.358 1.00 12.96 C ATOM 931 O ASN A 123 14.537 -14.981 3.322 1.00 11.81 O ATOM 932 CB ASN A 123 17.290 -14.973 2.159 1.00 13.35 C ATOM 933 CG ASN A 123 18.713 -14.545 2.122 1.00 17.05 C ATOM 934 OD1 ASN A 123 19.235 -14.181 1.055 1.00 19.40 O ATOM 935 ND2 ASN A 123 19.355 -14.537 3.280 1.00 10.58 N ATOM 0 H ASN A 123 16.153 -13.478 4.319 1.00 13.37 H new ATOM 0 HA ASN A 123 16.447 -13.131 1.644 1.00 12.35 H new ATOM 0 HB2 ASN A 123 17.165 -15.609 2.881 1.00 13.35 H new ATOM 0 HB3 ASN A 123 17.072 -15.434 1.334 1.00 13.35 H new ATOM 0 HD21 ASN A 123 20.172 -14.271 3.317 1.00 10.58 H new ATOM 0 HD22 ASN A 123 18.955 -14.798 3.995 1.00 10.58 H new ATOM 936 N MET A 124 14.162 -14.053 1.306 1.00 10.98 N ATOM 937 CA MET A 124 12.937 -14.798 1.049 1.00 12.27 C ATOM 938 C MET A 124 13.045 -15.269 -0.397 1.00 12.79 C ATOM 939 O MET A 124 13.281 -14.458 -1.296 1.00 10.83 O ATOM 940 CB MET A 124 11.668 -13.956 1.249 1.00 12.89 C ATOM 941 CG AMET A 124 10.379 -14.759 1.065 0.35 18.22 C ATOM 942 CG BMET A 124 10.405 -14.802 1.099 0.65 17.84 C ATOM 943 SD AMET A 124 9.774 -14.822 -0.636 0.35 34.40 S ATOM 944 SD BMET A 124 8.903 -13.819 1.253 0.65 17.97 S ATOM 945 CE AMET A 124 8.851 -13.295 -0.737 0.35 11.13 C ATOM 946 CE BMET A 124 9.140 -12.675 -0.113 0.65 22.38 C ATOM 0 H MET A 124 14.334 -13.435 0.733 1.00 10.98 H new ATOM 0 HA MET A 124 12.853 -15.533 1.677 1.00 12.27 H new ATOM 0 HB2AMET A 124 11.679 -13.572 2.139 0.35 12.89 H new ATOM 0 HB2BMET A 124 11.684 -13.549 2.129 0.65 12.89 H new ATOM 0 HB3AMET A 124 11.675 -13.217 0.621 0.35 12.89 H new ATOM 0 HB3BMET A 124 11.653 -13.233 0.603 0.65 12.89 H new ATOM 0 HG2AMET A 124 10.528 -15.665 1.377 0.35 17.84 H new ATOM 0 HG2BMET A 124 10.414 -15.243 0.235 0.65 17.84 H new ATOM 0 HG3AMET A 124 9.689 -14.375 1.628 0.35 17.84 H new ATOM 0 HG3BMET A 124 10.403 -15.500 1.773 0.65 17.84 H new ATOM 0 HE1AMET A 124 7.912 -13.493 -0.881 0.35 22.38 H new ATOM 0 HE1BMET A 124 8.301 -12.555 -0.584 0.65 22.38 H new ATOM 0 HE2AMET A 124 8.954 -12.799 0.090 0.35 22.38 H new ATOM 0 HE2BMET A 124 9.443 -11.820 0.230 0.65 22.38 H new ATOM 0 HE3AMET A 124 9.185 -12.763 -1.476 0.35 22.38 H new ATOM 0 HE3BMET A 124 9.804 -13.032 -0.723 0.65 22.38 H new ATOM 947 N ARG A 125 12.885 -16.567 -0.610 1.00 9.68 N ATOM 948 CA ARG A 125 13.156 -17.153 -1.952 1.00 8.66 C ATOM 949 C ARG A 125 11.999 -18.063 -2.316 1.00 9.29 C ATOM 950 O ARG A 125 11.556 -18.938 -1.519 1.00 11.47 O ATOM 951 CB ARG A 125 14.454 -17.968 -1.976 1.00 8.70 C ATOM 952 CG ARG A 125 15.614 -17.203 -1.262 1.00 9.91 C ATOM 953 CD ARG A 125 16.940 -17.940 -1.423 1.00 15.53 C ATOM 954 NE ARG A 125 17.488 -17.712 -2.767 1.00 12.63 N ATOM 955 CZ ARG A 125 17.911 -18.677 -3.579 1.00 15.05 C ATOM 956 NH1 ARG A 125 17.902 -19.951 -3.162 1.00 13.28 N ATOM 957 NH2 ARG A 125 18.409 -18.358 -4.786 1.00 15.36 N ATOM 0 H ARG A 125 12.626 -17.130 -0.014 1.00 9.68 H new ATOM 0 HA ARG A 125 13.253 -16.426 -2.587 1.00 8.66 H new ATOM 0 HB2 ARG A 125 14.310 -18.823 -1.540 1.00 8.70 H new ATOM 0 HB3 ARG A 125 14.704 -18.156 -2.894 1.00 8.70 H new ATOM 0 HG2 ARG A 125 15.691 -16.309 -1.631 1.00 9.91 H new ATOM 0 HG3 ARG A 125 15.408 -17.104 -0.319 1.00 9.91 H new ATOM 0 HD2 ARG A 125 17.571 -17.634 -0.753 1.00 15.53 H new ATOM 0 HD3 ARG A 125 16.809 -18.890 -1.277 1.00 15.53 H new ATOM 0 HE ARG A 125 17.539 -16.901 -3.047 1.00 12.63 H new ATOM 0 HH11 ARG A 125 17.623 -20.143 -2.371 1.00 13.28 H new ATOM 0 HH12 ARG A 125 18.175 -20.577 -3.685 1.00 13.28 H new ATOM 0 HH21 ARG A 125 18.453 -17.534 -5.029 1.00 15.36 H new ATOM 0 HH22 ARG A 125 18.684 -18.978 -5.315 1.00 15.36 H new ATOM 958 N GLY A 126 11.455 -17.837 -3.514 1.00 9.28 N ATOM 959 CA GLY A 126 10.304 -18.638 -3.972 1.00 8.07 C ATOM 960 C GLY A 126 10.598 -19.591 -5.144 1.00 10.17 C ATOM 961 O GLY A 126 11.271 -19.203 -6.132 1.00 10.72 O ATOM 0 H GLY A 126 11.727 -17.239 -4.069 1.00 9.28 H new ATOM 0 HA2 GLY A 126 9.973 -19.160 -3.224 1.00 8.07 H new ATOM 0 HA3 GLY A 126 9.592 -18.034 -4.235 1.00 8.07 H new ATOM 962 N TYR A 127 10.097 -20.821 -5.022 1.00 8.58 N ATOM 963 CA TYR A 127 10.253 -21.862 -6.056 1.00 9.27 C ATOM 964 C TYR A 127 8.944 -21.946 -6.806 1.00 7.62 C ATOM 965 O TYR A 127 8.041 -22.724 -6.485 1.00 10.03 O ATOM 966 CB TYR A 127 10.648 -23.225 -5.426 1.00 10.92 C ATOM 967 CG TYR A 127 12.012 -23.162 -4.833 1.00 9.34 C ATOM 968 CD1 TYR A 127 13.138 -23.685 -5.542 1.00 8.59 C ATOM 969 CD2 TYR A 127 12.223 -22.625 -3.516 1.00 8.54 C ATOM 970 CE1 TYR A 127 14.445 -23.619 -4.995 1.00 8.56 C ATOM 971 CE2 TYR A 127 13.533 -22.586 -2.964 1.00 10.79 C ATOM 972 CZ TYR A 127 14.630 -23.055 -3.691 1.00 11.90 C ATOM 973 OH TYR A 127 15.888 -22.983 -3.113 1.00 11.10 O ATOM 0 H TYR A 127 9.653 -21.082 -4.333 1.00 8.58 H new ATOM 0 HA TYR A 127 10.971 -21.634 -6.667 1.00 9.27 H new ATOM 0 HB2 TYR A 127 10.005 -23.468 -4.742 1.00 10.92 H new ATOM 0 HB3 TYR A 127 10.617 -23.919 -6.103 1.00 10.92 H new ATOM 0 HD1 TYR A 127 13.011 -24.075 -6.377 1.00 8.59 H new ATOM 0 HD2 TYR A 127 11.502 -22.303 -3.025 1.00 8.54 H new ATOM 0 HE1 TYR A 127 15.173 -23.938 -5.477 1.00 8.56 H new ATOM 0 HE2 TYR A 127 13.661 -22.244 -2.109 1.00 10.79 H new ATOM 0 HH TYR A 127 16.469 -23.206 -3.677 1.00 11.10 H new ATOM 974 N TRP A 128 8.849 -21.075 -7.829 1.00 9.34 N ATOM 975 CA TRP A 128 7.753 -21.158 -8.792 1.00 10.51 C ATOM 976 C TRP A 128 8.145 -20.422 -10.070 1.00 9.61 C ATOM 977 O TRP A 128 9.175 -19.752 -10.139 1.00 9.70 O ATOM 978 CB TRP A 128 6.441 -20.581 -8.229 1.00 10.91 C ATOM 979 CG TRP A 128 6.523 -19.097 -7.861 1.00 10.89 C ATOM 980 CD1 TRP A 128 6.995 -18.571 -6.682 1.00 12.42 C ATOM 981 CD2 TRP A 128 6.098 -17.972 -8.662 1.00 12.97 C ATOM 982 NE1 TRP A 128 6.917 -17.185 -6.714 1.00 14.53 N ATOM 983 CE2 TRP A 128 6.353 -16.798 -7.907 1.00 14.71 C ATOM 984 CE3 TRP A 128 5.528 -17.843 -9.947 1.00 16.42 C ATOM 985 CZ2 TRP A 128 6.062 -15.499 -8.397 1.00 13.27 C ATOM 986 CZ3 TRP A 128 5.228 -16.560 -10.419 1.00 13.62 C ATOM 987 CH2 TRP A 128 5.493 -15.412 -9.649 1.00 14.16 C ATOM 0 H TRP A 128 9.408 -20.438 -7.975 1.00 9.34 H new ATOM 0 HA TRP A 128 7.594 -22.095 -8.984 1.00 10.51 H new ATOM 0 HB2 TRP A 128 5.736 -20.704 -8.884 1.00 10.91 H new ATOM 0 HB3 TRP A 128 6.187 -21.087 -7.441 1.00 10.91 H new ATOM 0 HD1 TRP A 128 7.319 -19.070 -5.967 1.00 12.42 H new ATOM 0 HE1 TRP A 128 7.179 -16.655 -6.089 1.00 14.53 H new ATOM 0 HE3 TRP A 128 5.356 -18.594 -10.468 1.00 16.42 H new ATOM 0 HZ2 TRP A 128 6.247 -14.739 -7.895 1.00 13.27 H new ATOM 0 HZ3 TRP A 128 4.845 -16.464 -11.261 1.00 13.62 H new ATOM 0 HH2 TRP A 128 5.279 -14.575 -9.993 1.00 14.16 H new ATOM 988 N ASN A 129 7.294 -20.594 -11.087 1.00 10.79 N ATOM 989 CA ASN A 129 7.485 -19.878 -12.355 1.00 10.21 C ATOM 990 C ASN A 129 6.122 -19.638 -13.012 1.00 9.01 C ATOM 991 O ASN A 129 5.081 -20.174 -12.568 1.00 11.11 O ATOM 992 CB ASN A 129 8.492 -20.628 -13.239 1.00 10.66 C ATOM 993 CG ASN A 129 7.985 -22.008 -13.685 1.00 14.61 C ATOM 994 OD1 ASN A 129 6.848 -22.150 -14.167 1.00 14.26 O ATOM 995 ND2 ASN A 129 8.812 -23.021 -13.500 1.00 13.08 N ATOM 0 H ASN A 129 6.609 -21.113 -11.065 1.00 10.79 H new ATOM 0 HA ASN A 129 7.874 -19.002 -12.204 1.00 10.21 H new ATOM 0 HB2 ASN A 129 8.689 -20.092 -14.023 1.00 10.66 H new ATOM 0 HB3 ASN A 129 9.324 -20.736 -12.753 1.00 10.66 H new ATOM 0 HD21 ASN A 129 8.571 -23.818 -13.716 1.00 13.08 H new ATOM 0 HD22 ASN A 129 9.592 -22.884 -13.164 1.00 13.08 H new ATOM 996 N LEU A 130 6.146 -18.764 -14.042 1.00 10.81 N ATOM 997 CA LEU A 130 4.915 -18.343 -14.670 1.00 12.08 C ATOM 998 C LEU A 130 4.142 -19.536 -15.236 1.00 9.82 C ATOM 999 O LEU A 130 2.887 -19.531 -15.231 1.00 13.29 O ATOM 1000 CB LEU A 130 5.246 -17.314 -15.752 1.00 12.47 C ATOM 1001 CG LEU A 130 5.799 -15.957 -15.261 1.00 14.46 C ATOM 1002 CD1 LEU A 130 6.522 -15.194 -16.422 1.00 19.87 C ATOM 1003 CD2 LEU A 130 4.638 -15.153 -14.714 1.00 14.75 C ATOM 0 H LEU A 130 6.860 -18.419 -14.374 1.00 10.81 H new ATOM 0 HA LEU A 130 4.335 -17.933 -14.009 1.00 12.08 H new ATOM 0 HB2 LEU A 130 5.895 -17.706 -16.357 1.00 12.47 H new ATOM 0 HB3 LEU A 130 4.442 -17.146 -16.269 1.00 12.47 H new ATOM 0 HG LEU A 130 6.460 -16.097 -14.565 1.00 14.46 H new ATOM 0 HD11 LEU A 130 6.860 -14.347 -16.092 1.00 19.87 H new ATOM 0 HD12 LEU A 130 7.260 -15.730 -16.751 1.00 19.87 H new ATOM 0 HD13 LEU A 130 5.894 -15.032 -17.143 1.00 19.87 H new ATOM 0 HD21 LEU A 130 4.959 -14.294 -14.398 1.00 14.75 H new ATOM 0 HD22 LEU A 130 3.981 -15.015 -15.415 1.00 14.75 H new ATOM 0 HD23 LEU A 130 4.229 -15.635 -13.978 1.00 14.75 H new ATOM 1004 N ASP A 131 4.876 -20.547 -15.705 1.00 11.61 N ATOM 1005 CA ASP A 131 4.216 -21.758 -16.231 1.00 12.13 C ATOM 1006 C ASP A 131 3.382 -22.540 -15.172 1.00 12.91 C ATOM 1007 O ASP A 131 2.521 -23.346 -15.532 1.00 16.85 O ATOM 1008 CB ASP A 131 5.217 -22.686 -16.898 1.00 15.40 C ATOM 1009 CG ASP A 131 5.742 -22.122 -18.211 1.00 20.25 C ATOM 1010 OD1 ASP A 131 4.929 -21.609 -18.997 1.00 24.57 O ATOM 1011 OD2 ASP A 131 6.940 -22.238 -18.474 1.00 28.12 O ATOM 0 H ASP A 131 5.736 -20.559 -15.730 1.00 11.61 H new ATOM 0 HA ASP A 131 3.584 -21.434 -16.892 1.00 12.13 H new ATOM 0 HB2 ASP A 131 5.961 -22.843 -16.295 1.00 15.40 H new ATOM 0 HB3 ASP A 131 4.799 -23.546 -17.062 1.00 15.40 H new ATOM 1012 N MET A 132 3.673 -22.345 -13.875 1.00 11.72 N ATOM 1013 CA MET A 132 2.910 -22.980 -12.805 1.00 15.23 C ATOM 1014 C MET A 132 1.629 -22.265 -12.417 1.00 15.65 C ATOM 1015 O MET A 132 0.796 -22.810 -11.696 1.00 14.48 O ATOM 1016 CB MET A 132 3.815 -23.144 -11.573 1.00 13.15 C ATOM 1017 CG MET A 132 5.024 -24.002 -11.905 1.00 13.91 C ATOM 1018 SD MET A 132 6.409 -23.940 -10.726 1.00 14.76 S ATOM 1019 CE MET A 132 5.637 -24.377 -9.185 1.00 17.52 C ATOM 0 H MET A 132 4.315 -21.843 -13.600 1.00 11.72 H new ATOM 0 HA MET A 132 2.623 -23.839 -13.153 1.00 15.23 H new ATOM 0 HB2 MET A 132 4.107 -22.273 -11.262 1.00 13.15 H new ATOM 0 HB3 MET A 132 3.313 -23.550 -10.849 1.00 13.15 H new ATOM 0 HG2 MET A 132 4.731 -24.924 -11.982 1.00 13.91 H new ATOM 0 HG3 MET A 132 5.355 -23.736 -12.777 1.00 13.91 H new ATOM 0 HE1 MET A 132 6.309 -24.420 -8.487 1.00 17.52 H new ATOM 0 HE2 MET A 132 4.973 -23.708 -8.954 1.00 17.52 H new ATOM 0 HE3 MET A 132 5.207 -25.242 -9.272 1.00 17.52 H new ATOM 1020 N MET A 133 1.471 -21.032 -12.888 1.00 11.99 N ATOM 1021 CA MET A 133 0.289 -20.259 -12.521 1.00 12.74 C ATOM 1022 C MET A 133 -0.983 -20.791 -13.132 1.00 15.23 C ATOM 1023 O MET A 133 -0.952 -21.353 -14.235 1.00 15.84 O ATOM 1024 CB MET A 133 0.470 -18.805 -12.892 1.00 13.63 C ATOM 1025 CG MET A 133 1.749 -18.181 -12.364 1.00 20.64 C ATOM 1026 SD AMET A 133 1.393 -16.506 -11.916 0.40 26.03 S ATOM 1027 SD BMET A 133 1.773 -16.387 -12.755 0.60 18.50 S ATOM 1028 CE AMET A 133 0.536 -16.040 -13.380 0.40 2.00 C ATOM 1029 CE BMET A 133 1.388 -16.412 -14.510 0.60 15.65 C ATOM 0 H MET A 133 2.024 -20.631 -13.411 1.00 11.99 H new ATOM 0 HA MET A 133 0.197 -20.344 -11.559 1.00 12.74 H new ATOM 0 HB2 MET A 133 0.458 -18.725 -13.859 1.00 13.63 H new ATOM 0 HB3 MET A 133 -0.287 -18.300 -12.556 1.00 13.63 H new ATOM 0 HG2AMET A 133 2.076 -18.675 -11.596 0.40 20.64 H new ATOM 0 HG2BMET A 133 1.811 -18.312 -11.405 0.60 20.64 H new ATOM 0 HG3AMET A 133 2.445 -18.211 -13.039 0.40 20.64 H new ATOM 0 HG3BMET A 133 2.519 -18.617 -12.760 0.60 20.64 H new ATOM 0 HE1AMET A 133 0.518 -15.073 -13.451 0.40 15.65 H new ATOM 0 HE1BMET A 133 1.699 -15.591 -14.922 0.60 15.65 H new ATOM 0 HE2AMET A 133 0.989 -16.412 -14.153 0.40 15.65 H new ATOM 0 HE2BMET A 133 1.828 -17.169 -14.927 0.60 15.65 H new ATOM 0 HE3AMET A 133 -0.373 -16.378 -13.345 0.40 15.65 H new ATOM 0 HE3BMET A 133 0.429 -16.490 -14.630 0.60 15.65 H new ATOM 1030 N THR A 134 -2.080 -20.680 -12.387 1.00 15.30 N ATOM 1031 CA THR A 134 -3.415 -20.988 -12.902 1.00 17.65 C ATOM 1032 C THR A 134 -4.248 -19.730 -12.909 1.00 20.27 C ATOM 1033 O THR A 134 -3.973 -18.782 -12.149 1.00 16.10 O ATOM 1034 CB THR A 134 -4.109 -22.102 -12.107 1.00 19.47 C ATOM 1035 OG1 THR A 134 -4.176 -21.716 -10.732 1.00 22.08 O ATOM 1036 CG2 THR A 134 -3.302 -23.394 -12.218 1.00 21.20 C ATOM 0 H THR A 134 -2.072 -20.423 -11.566 1.00 15.30 H new ATOM 0 HA THR A 134 -3.318 -21.321 -13.808 1.00 17.65 H new ATOM 0 HB THR A 134 -5.001 -22.245 -12.461 1.00 19.47 H new ATOM 0 HG1 THR A 134 -4.021 -20.893 -10.664 1.00 22.08 H new ATOM 0 HG21 THR A 134 -3.743 -24.096 -11.714 1.00 21.20 H new ATOM 0 HG22 THR A 134 -3.238 -23.657 -13.150 1.00 21.20 H new ATOM 0 HG23 THR A 134 -2.412 -23.251 -11.861 1.00 21.20 H new ATOM 1037 N PHE A 135 -5.249 -19.677 -13.794 1.00 15.70 N ATOM 1038 CA PHE A 135 -5.965 -18.417 -14.007 1.00 16.35 C ATOM 1039 C PHE A 135 -7.468 -18.416 -13.721 1.00 22.85 C ATOM 1040 O PHE A 135 -8.090 -19.453 -13.766 1.00 25.92 O ATOM 1041 CB PHE A 135 -5.718 -17.929 -15.450 1.00 16.25 C ATOM 1042 CG PHE A 135 -4.291 -17.547 -15.721 1.00 13.65 C ATOM 1043 CD1 PHE A 135 -3.833 -16.249 -15.478 1.00 15.55 C ATOM 1044 CD2 PHE A 135 -3.407 -18.483 -16.219 1.00 11.46 C ATOM 1045 CE1 PHE A 135 -2.487 -15.900 -15.749 1.00 17.20 C ATOM 1046 CE2 PHE A 135 -2.062 -18.172 -16.468 1.00 15.26 C ATOM 1047 CZ PHE A 135 -1.602 -16.872 -16.251 1.00 15.27 C ATOM 0 H PHE A 135 -5.522 -20.340 -14.269 1.00 15.70 H new ATOM 0 HA PHE A 135 -5.596 -17.816 -13.341 1.00 16.35 H new ATOM 0 HB2 PHE A 135 -5.981 -18.628 -16.069 1.00 16.25 H new ATOM 0 HB3 PHE A 135 -6.288 -17.165 -15.627 1.00 16.25 H new ATOM 0 HD1 PHE A 135 -4.416 -15.610 -15.136 1.00 15.55 H new ATOM 0 HD2 PHE A 135 -3.712 -19.344 -16.394 1.00 11.46 H new ATOM 0 HE1 PHE A 135 -2.190 -15.032 -15.596 1.00 17.20 H new ATOM 0 HE2 PHE A 135 -1.480 -18.829 -16.776 1.00 15.26 H new ATOM 0 HZ PHE A 135 -0.718 -16.650 -16.437 1.00 15.27 H new ATOM 1048 N GLY A 136 -8.031 -17.222 -13.482 1.00 25.73 N ATOM 1049 CA GLY A 136 -9.460 -17.044 -13.264 1.00 30.60 C ATOM 1050 C GLY A 136 -10.086 -15.744 -13.769 1.00 28.48 C ATOM 1051 O GLY A 136 -9.387 -14.792 -14.178 1.00 24.77 O ATOM 0 H GLY A 136 -7.582 -16.490 -13.443 1.00 25.73 H new ATOM 0 HA2 GLY A 136 -9.923 -17.785 -13.686 1.00 30.60 H new ATOM 0 HA3 GLY A 136 -9.629 -17.109 -12.311 1.00 30.60 H new ATOM 1052 N ASN A 137 -11.420 -15.739 -13.688 1.00 30.80 N ATOM 1053 CA ASN A 137 -12.355 -14.838 -14.409 1.00 40.93 C ATOM 1054 C ASN A 137 -12.643 -15.247 -15.870 1.00 33.13 C ATOM 1055 O ASN A 137 -11.774 -15.103 -16.734 1.00 29.10 O ATOM 1056 CB ASN A 137 -11.943 -13.368 -14.305 1.00 46.24 C ATOM 1057 CG ASN A 137 -12.341 -12.753 -12.987 1.00 50.88 C ATOM 1058 OD1 ASN A 137 -12.237 -13.394 -11.935 1.00 54.12 O ATOM 1059 ND2 ASN A 137 -12.812 -11.509 -13.032 1.00 62.86 N ATOM 0 H ASN A 137 -11.837 -16.294 -13.180 1.00 30.80 H new ATOM 0 HA ASN A 137 -13.199 -14.944 -13.943 1.00 40.93 H new ATOM 0 HB2 ASN A 137 -10.982 -13.295 -14.416 1.00 46.24 H new ATOM 0 HB3 ASN A 137 -12.351 -12.868 -15.029 1.00 46.24 H new ATOM 0 HD21 ASN A 137 -13.060 -11.117 -12.308 1.00 62.86 H new ATOM 0 HD22 ASN A 137 -12.868 -11.097 -13.785 1.00 62.86 H new TER 1060 ASN A 137 HETATM 1061 N1 NCA A1001 5.094 -12.128 -1.297 1.00 20.85 N HETATM 1062 C2 NCA A1001 5.248 -11.853 0.008 1.00 16.96 C HETATM 1063 C3 NCA A1001 5.430 -12.923 0.912 1.00 14.97 C HETATM 1064 C4 NCA A1001 5.401 -14.235 0.450 1.00 14.70 C HETATM 1065 C5 NCA A1001 5.209 -14.473 -0.911 1.00 18.43 C HETATM 1066 C6 NCA A1001 5.054 -13.383 -1.776 1.00 14.99 C HETATM 1067 C7 NCA A1001 5.635 -12.627 2.384 1.00 24.14 C HETATM 1068 O7 NCA A1001 5.678 -11.454 2.751 1.00 22.91 O HETATM 1069 N7 NCA A1001 5.764 -13.694 3.197 1.00 12.81 N HETATM 0 HN72 NCA A1001 5.882 -13.580 4.041 1.00 12.81 H new HETATM 0 HN71 NCA A1001 5.728 -14.489 2.872 1.00 12.81 H new HETATM 0 H6 NCA A1001 4.917 -13.534 -2.724 1.00 14.99 H new HETATM 0 H5 NCA A1001 5.183 -15.380 -1.253 1.00 18.43 H new HETATM 0 H4 NCA A1001 5.513 -14.975 1.067 1.00 14.70 H new HETATM 0 H2 NCA A1001 5.235 -10.936 0.324 1.00 16.96 H new HETATM 1070 O HOH A1002 8.707 -17.238 -14.204 1.00 11.65 O HETATM 1071 O HOH A1003 6.705 -13.127 -11.739 1.00 16.04 O HETATM 1072 O HOH A1004 3.716 -12.590 -11.591 1.00 39.49 O HETATM 1073 O HOH A1005 11.932 -11.116 -6.647 1.00 14.07 O HETATM 1074 O HOH A1006 16.957 -14.976 -8.243 1.00 16.31 O HETATM 1075 O HOH A1007 17.275 -14.176 -1.103 1.00 13.72 O HETATM 1076 O HOH A1008 13.123 -23.888 11.804 1.00 15.65 O HETATM 1077 O HOH A1009 11.495 -10.145 10.834 1.00 23.02 O HETATM 1078 O HOH A1010 11.704 -12.897 13.928 1.00 19.60 O HETATM 1079 O HOH A1011 16.335 -13.566 16.959 1.00 29.43 O HETATM 1080 O HOH A1012 19.218 -14.734 18.036 1.00 40.38 O HETATM 1081 O HOH A1013 17.162 -14.984 14.716 1.00 27.35 O HETATM 1082 O HOH A1014 21.010 -16.473 11.040 1.00 28.18 O HETATM 1083 O HOH A1015 16.032 -18.718 2.268 1.00 16.28 O HETATM 1084 O HOH A1016 18.797 -18.845 1.548 1.00 26.78 O HETATM 1085 O HOH A1017 16.210 -21.391 -0.850 1.00 13.15 O HETATM 1086 O HOH A1018 17.985 -23.908 -4.373 1.00 15.00 O HETATM 1087 O HOH A1019 3.887 -16.188 14.594 1.00 37.34 O HETATM 1088 O HOH A1020 -2.265 -18.498 6.019 1.00 24.55 O HETATM 1089 O HOH A1021 -2.661 -15.468 5.360 1.00 27.47 O HETATM 1090 O HOH A1022 -3.760 -16.826 -1.158 0.50 10.59 O HETATM 1091 O HOH A1023 -2.251 -7.090 -1.112 1.00 22.66 O HETATM 1092 O HOH A1024 -1.119 -5.821 1.040 1.00 20.71 O HETATM 1093 O HOH A1025 -3.816 -4.580 -1.875 1.00 20.31 O HETATM 1094 O HOH A1026 17.154 -0.983 -2.177 1.00 26.88 O HETATM 1095 O HOH A1027 17.135 -4.665 -6.578 1.00 25.38 O HETATM 1096 O HOH A1028 11.821 -3.072 -6.790 1.00 25.70 O HETATM 1097 O HOH A1029 1.862 1.222 -6.522 1.00 17.14 O HETATM 1098 O HOH A1030 0.539 0.340 -4.020 1.00 17.97 O HETATM 1099 O HOH A1031 1.793 0.271 -1.433 1.00 20.93 O HETATM 1100 O HOH A1032 3.752 -10.836 -6.631 1.00 29.58 O HETATM 1101 O HOH A1033 2.638 -8.694 -9.932 1.00 27.72 O HETATM 1102 O HOH A1034 1.275 -3.856 -10.149 1.00 32.99 O HETATM 1103 O HOH A1035 -6.701 -17.728 -10.369 1.00 30.67 O HETATM 1104 O HOH A1036 0.357 -23.396 -9.058 1.00 15.55 O HETATM 1105 O HOH A1037 12.969 -17.537 -15.941 1.00 19.30 O HETATM 1106 O HOH A1038 9.724 -16.981 -16.973 1.00 38.19 O HETATM 1107 O HOH A1039 9.911 -10.655 12.990 1.00 27.12 O HETATM 1108 O HOH A1040 7.409 -9.807 14.057 1.00 25.17 O HETATM 1109 O HOH A1041 6.372 -5.275 11.651 1.00 22.60 O HETATM 1110 O HOH A1042 6.625 2.204 4.311 1.00 21.28 O HETATM 1111 O HOH A1043 5.780 4.826 5.123 1.00 27.31 O HETATM 1112 O HOH A1044 9.089 0.333 8.129 1.00 24.35 O HETATM 1113 O HOH A1045 13.136 -3.048 11.545 1.00 31.25 O HETATM 1114 O HOH A1046 19.414 -4.744 9.386 1.00 26.15 O HETATM 1115 O HOH A1047 21.765 -8.788 8.217 1.00 29.24 O HETATM 1116 O HOH A1048 10.963 -22.878 12.991 1.00 20.73 O HETATM 1117 O HOH A1049 8.486 -22.333 16.035 1.00 24.69 O HETATM 1118 O HOH A1050 2.127 -27.062 8.607 1.00 26.25 O HETATM 1119 O HOH A1051 2.791 -21.933 10.003 1.00 26.95 O HETATM 1120 O HOH A1052 3.253 -23.597 11.975 1.00 35.23 O HETATM 1121 O HOH A1053 8.580 -23.938 13.725 1.00 24.76 O HETATM 1122 O HOH A1054 8.183 -25.474 -14.946 1.00 26.13 O HETATM 1123 O HOH A1055 20.789 -21.181 9.475 1.00 28.00 O HETATM 1124 O HOH A1056 20.663 -10.936 2.337 1.00 26.65 O HETATM 1125 O HOH A1057 21.850 -12.851 0.581 1.00 25.15 O HETATM 1126 O HOH A1058 11.601 -0.335 8.396 1.00 29.93 O HETATM 1127 O HOH A1059 18.426 -1.390 2.798 1.00 30.19 O HETATM 1128 O HOH A1060 22.079 -19.744 5.747 1.00 36.39 O HETATM 1129 O HOH A1061 18.579 -17.748 16.542 1.00 36.45 O HETATM 1130 O HOH A1062 16.556 -18.890 18.626 1.00 38.00 O HETATM 1131 O HOH A1063 11.454 -12.569 16.471 1.00 29.33 O HETATM 1132 O HOH A1064 5.155 -3.305 12.821 1.00 43.65 O HETATM 1133 O HOH A1065 22.004 -14.523 3.731 1.00 38.33 O HETATM 1134 O HOH A1066 20.822 -17.851 -1.088 1.00 43.50 O HETATM 1135 O HOH A1067 20.507 -15.622 -2.871 1.00 34.63 O HETATM 1136 O HOH A1068 20.665 -15.666 -6.540 1.00 43.96 O HETATM 1137 O HOH A1069 21.341 -12.403 -5.835 1.00 40.76 O HETATM 1138 O HOH A1070 18.817 -17.009 -10.397 1.00 28.70 O HETATM 1139 O HOH A1071 8.501 -6.450 -13.992 1.00 26.74 O HETATM 1140 O HOH A1072 9.798 -4.131 -7.893 1.00 29.23 O HETATM 1141 O HOH A1073 21.680 -18.873 10.017 1.00 35.22 O HETATM 1142 O HOH A1074 -3.491 -25.331 -0.425 1.00 37.18 O HETATM 1143 O HOH A1075 -3.468 -23.223 1.174 1.00 42.79 O HETATM 1144 O HOH A1076 0.212 -31.753 -0.251 0.50 32.06 O HETATM 1145 O HOH A1077 0.791 -29.569 1.645 1.00 36.27 O HETATM 1146 O HOH A1078 0.324 -26.903 -7.243 1.00 41.04 O HETATM 1147 O HOH A1079 2.361 -25.282 -8.254 1.00 30.61 O HETATM 1148 O HOH A1080 -2.322 -22.962 -8.822 1.00 30.58 O HETATM 1149 O HOH A1081 0.405 -25.630 -12.188 1.00 41.25 O HETATM 1150 O HOH A1082 5.350 -30.286 8.067 1.00 31.94 O HETATM 1151 O HOH A1083 6.285 -29.595 11.579 1.00 36.09 O HETATM 1152 O HOH A1084 -1.150 -23.011 7.718 1.00 47.94 O HETATM 1153 O HOH A1085 -3.389 -9.455 8.919 1.00 32.79 O HETATM 1154 O HOH A1086 -0.454 -12.808 -18.746 1.00 45.08 O HETATM 1155 O HOH A1087 -1.630 -11.571 -11.344 1.00 44.45 O HETATM 1156 O HOH A1088 -1.589 -5.966 -11.214 1.00 50.29 O HETATM 1157 O HOH A1089 -1.919 -5.621 -14.170 1.00 42.76 O HETATM 1158 O HOH A1090 8.175 -5.172 13.414 1.00 31.54 O HETATM 1159 O HOH A1091 10.516 -6.130 13.169 1.00 31.22 O HETATM 1160 O HOH A1092 10.299 3.521 1.140 1.00 46.76 O HETATM 1161 O HOH A1093 10.513 2.316 -1.561 1.00 30.13 O HETATM 1162 O HOH A1094 7.752 6.319 4.059 1.00 33.42 O HETATM 1163 O HOH A1095 14.168 -20.221 18.978 1.00 40.56 O HETATM 1164 O HOH A1096 14.122 -25.272 14.282 1.00 31.34 O HETATM 1165 O HOH A1097 7.970 -20.061 -16.809 1.00 29.81 O HETATM 1166 O HOH A1098 9.087 -22.816 -17.095 1.00 33.53 O HETATM 1167 O HOH A1099 0.256 -5.258 10.355 1.00 38.80 O HETATM 1168 O HOH A1100 -3.742 -2.659 8.877 1.00 30.61 O HETATM 1169 O HOH A1101 -3.923 -12.285 8.455 1.00 39.07 O HETATM 1170 O HOH A1102 -6.255 -8.711 1.064 1.00 42.01 O HETATM 1171 O HOH A1103 -7.371 -14.991 -1.961 1.00 43.41 O HETATM 1172 O HOH A1104 8.646 1.181 10.669 1.00 45.93 O HETATM 1173 O HOH A1105 6.237 -24.662 12.746 1.00 31.93 O HETATM 1174 O HOH A1106 12.521 -24.345 15.702 1.00 48.11 O HETATM 1175 O HOH A1107 16.721 -17.335 -14.672 1.00 32.07 O HETATM 1176 O HOH A1108 18.592 -24.953 18.396 1.00 56.77 O HETATM 1177 O HOH A1109 14.819 -27.943 15.549 1.00 41.33 O HETATM 1178 O HOH A1110 13.460 -22.103 18.062 1.00 35.27 O HETATM 1179 O HOH A1111 -3.382 -27.103 4.601 1.00 47.67 O HETATM 1180 O HOH A1112 4.442 -7.555 12.448 1.00 45.01 O HETATM 1181 O HOH A1113 8.947 -5.040 -11.522 1.00 40.11 O HETATM 1182 O HOH A1114 9.074 2.050 6.053 1.00 35.85 O HETATM 1183 O HOH A1115 5.041 5.209 11.809 1.00 65.83 O HETATM 1184 O HOH A1116 17.776 0.549 0.235 1.00 42.43 O HETATM 1185 O HOH A1117 18.754 -2.532 -5.164 1.00 44.90 O HETATM 1186 O HOH A1118 4.152 -6.143 -13.192 1.00 41.38 O HETATM 1187 O HOH A1119 -5.979 -8.212 -1.297 1.00 48.00 O HETATM 1188 O HOH A1120 -6.542 -11.235 -4.903 1.00 34.08 O HETATM 1189 O HOH A1121 -11.716 -20.319 -14.988 1.00 38.07 O HETATM 1190 O HOH A1122 -10.738 -16.947 -9.699 1.00 60.94 O HETATM 1191 O HOH A1123 -1.030 -2.987 0.965 1.00 34.52 O HETATM 1192 O HOH A1124 0.184 -21.040 9.612 1.00 41.50 O HETATM 1193 O HOH A1125 5.467 -16.011 19.005 1.00 43.55 O HETATM 1194 O HOH A1126 16.420 -12.994 -20.522 1.00 45.54 O HETATM 1195 O HOH A1127 -0.623 -28.476 7.049 1.00 47.41 O HETATM 1196 O HOH A1128 -14.768 -12.380 -10.851 1.00 52.49 O HETATM 1197 O HOH A1129 19.313 -6.644 11.527 1.00 32.89 O HETATM 1198 O HOH A1130 17.332 -5.150 14.312 1.00 37.41 O HETATM 1199 O HOH A1131 0.712 -20.626 -16.337 1.00 22.60 O HETATM 1200 O HOH A1132 -2.150 -23.025 -16.091 1.00 37.41 O HETATM 1201 O HOH A1133 21.548 -7.031 12.567 1.00 39.35 O HETATM 1202 O HOH A1134 22.023 -6.144 15.197 1.00 47.60 O HETATM 1203 O HOH A1135 4.000 -26.218 -15.105 1.00 51.55 O HETATM 1204 O HOH A1136 -3.653 -25.047 -15.480 1.00 50.37 O HETATM 1205 O HOH A1137 14.768 -3.734 -7.894 1.00 34.88 O HETATM 1206 O HOH A1138 15.835 -25.736 16.097 1.00 45.35 O HETATM 1207 O HOH A1139 23.242 -12.835 11.879 1.00 36.45 O HETATM 1208 O HOH A1140 21.345 -9.833 13.672 1.00 31.74 O HETATM 1209 O HOH A1141 11.808 -0.592 11.734 1.00 45.13 O HETATM 1210 O HOH A1142 -1.343 -19.024 8.555 1.00 40.32 O HETATM 1211 O HOH A1143 4.463 -12.989 -5.472 1.00 25.95 O HETATM 1212 O HOH A1144 15.235 -8.391 -10.292 1.00 19.87 O HETATM 1213 O HOH A1145 6.289 -23.269 17.142 1.00 45.94 O HETATM 1214 O HOH A1146 -1.123 -13.020 4.103 1.00 33.26 O HETATM 1215 O HOH A1147 -3.710 -9.807 1.422 1.00 33.25 O HETATM 1216 O HOH A1148 -2.015 -13.943 7.409 1.00 40.02 O HETATM 1217 O HOH A1149 2.137 -21.818 14.285 1.00 44.33 O HETATM 1218 O HOH A1150 23.678 -11.753 7.590 1.00 36.66 O HETATM 1219 O HOH A1151 0.050 -15.002 9.769 1.00 38.27 O HETATM 1220 O HOH A1152 -3.159 -17.239 9.668 1.00 58.09 O HETATM 1221 O HOH A1153 14.943 -3.074 9.494 1.00 46.75 O HETATM 1222 O HOH A1154 18.984 -6.975 -8.090 1.00 41.90 O HETATM 1223 O HOH A1155 6.291 -0.458 11.873 1.00 42.65 O HETATM 1224 O HOH A1156 3.396 0.303 -8.593 1.00 40.71 O HETATM 1225 O HOH A1157 -6.360 -5.746 -11.631 1.00 43.43 O HETATM 1226 O HOH A1158 2.702 -11.260 -9.197 1.00 30.35 O HETATM 1227 O HOH A1159 14.918 -5.696 -10.095 1.00 44.83 O HETATM 1228 O HOH A1160 4.205 -13.523 14.159 1.00 30.65 O HETATM 1229 O HOH A1161 -12.665 -18.184 -13.630 1.00 35.79 O HETATM 1230 O HOH A1162 -3.358 -24.600 -5.012 1.00 53.63 O HETATM 1231 O HOH A1163 1.125 -15.576 16.305 1.00 52.50 O HETATM 1232 O HOH A1164 -0.386 -17.473 10.112 1.00 43.55 O HETATM 1233 O HOH A1165 8.180 -2.286 -9.005 1.00 47.31 O HETATM 1234 O HOH A1166 8.231 -2.399 -11.793 1.00 44.41 O HETATM 1235 O HOH A1167 12.239 -0.398 -7.906 1.00 36.85 O HETATM 1236 O HOH A1168 17.413 0.620 -4.497 1.00 51.74 O HETATM 1237 O HOH A1169 0.502 -8.738 -11.467 1.00 44.49 O HETATM 1238 O HOH A1170 1.559 -8.104 -14.333 1.00 52.96 O HETATM 1239 O HOH A1171 -5.978 -20.622 -1.177 1.00 53.99 O HETATM 1240 O HOH A1172 0.946 -24.401 8.521 1.00 46.20 O HETATM 1241 O HOH A1173 5.037 -27.249 11.204 1.00 39.79 O HETATM 1242 O HOH A1174 2.214 -11.722 13.410 1.00 41.86 O HETATM 1243 O HOH A1175 22.449 -7.636 -0.253 1.00 56.27 O HETATM 1244 O HOH A1176 24.604 -9.050 1.826 1.00 56.01 O HETATM 1245 O HOH A1177 21.889 -13.228 -1.941 1.00 42.75 O HETATM 1246 O HOH A1178 18.650 -17.752 -13.038 1.00 43.31 O HETATM 1247 O HOH A1179 -12.297 -9.246 -14.885 1.00 49.19 O HETATM 1248 O HOH A1180 22.653 -12.043 4.570 1.00 44.46 O HETATM 1249 O HOH A1181 1.882 -9.321 12.632 1.00 51.18 O HETATM 1250 O HOH A1182 -7.026 -20.786 -10.344 1.00 41.77 O HETATM 1251 O HOH A1183 -1.499 -18.043 12.510 1.00 60.58 O HETATM 1252 O HOH A1184 -10.020 -18.799 -16.375 1.00 52.60 O HETATM 1253 O HOH A1185 21.112 -3.958 0.592 1.00 40.78 O HETATM 1254 O HOH A1186 17.987 0.335 4.796 1.00 46.63 O HETATM 1255 O HOH A1187 -2.905 -22.616 -6.387 1.00 45.46 O HETATM 1256 O HOH A1188 23.354 -10.302 12.421 1.00 59.39 O HETATM 1257 O HOH A1189 1.972 0.400 10.369 1.00 54.16 O HETATM 1258 O HOH A1190 -0.205 -14.804 -8.309 1.00 33.73 O HETATM 1259 O HOH A1191 2.161 -13.846 -8.291 1.00 39.03 O CONECT 1061 1062 1066 CONECT 1062 1061 1063 CONECT 1063 1062 1064 1067 CONECT 1064 1063 1065 CONECT 1065 1064 1066 CONECT 1066 1061 1065 CONECT 1067 1063 1068 1069 CONECT 1068 1067 CONECT 1069 1067 END