USER MOD reduce.3.24.130724 H: found=0, std=0, add=1207, rem=0, adj=49 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER OXIDOREDUCTASE, METAL BINDING PROTEIN 14-JUL-03 1PZS TITLE CRYSTAL STRUCTURE OF A CU-ZN SUPEROXIDE DISMUTASE FROM MYCOBACTERIUM TITLE 2 TUBERCULOSIS AT 1.63 RESOLUTION COMPND MOL_ID: 1; COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE [CU-ZN]; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: SEQUENCE DATABASE RESIDUES 33-240; COMPND 5 EC: 1.15.1.1; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; SOURCE 3 ORGANISM_TAXID: 1773; SOURCE 4 GENE: SODC OR RV0432 OR MT0447 OR MTCY22G10.29; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: QC871; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PUC19 KEYWDS CU-PROTEIN, BETA CORE, ANTIOXIDANT, METAL BINDING, GREEK KEY BETA KEYWDS 2 BARREL, OXIDOREDUCTASE, METAL BINDING PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR K.DJINOVIC-CARUGO,L.SPAGNOLO,I.TORO REVDAT 4 13-JUL-11 1PZS 1 VERSN REVDAT 3 24-FEB-09 1PZS 1 VERSN REVDAT 2 17-AUG-04 1PZS 1 JRNL REVDAT 1 27-JUL-04 1PZS 0 JRNL AUTH L.SPAGNOLO,I.TORO,M.D'ORAZIO,P.O'NEILL,J.Z.PEDERSEN, JRNL AUTH 2 O.CARUGO,G.ROTILIO,A.BATTISTONI,K.DJINOVIC-CARUGO JRNL TITL UNIQUE FEATURES OF THE SODC-ENCODED SUPEROXIDE DISMUTASE JRNL TITL 2 FROM MYCOBACTERIUM TUBERCULOSIS, A FULLY FUNCTIONAL JRNL TITL 3 COPPER-CONTAINING ENZYME LACKING ZINC IN THE ACTIVE SITE. JRNL REF J.BIOL.CHEM. V. 279 33447 2004 JRNL REFN ISSN 0021-9258 JRNL PMID 15155722 JRNL DOI 10.1074/JBC.M404699200 REMARK 2 REMARK 2 RESOLUTION. 1.63 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.1.24 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) : 1.63 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 27.95 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 98.2 REMARK 3 NUMBER OF REFLECTIONS : 19233 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) : 0.152 REMARK 3 R VALUE (WORKING SET) : 0.150 REMARK 3 FREE R VALUE : 0.190 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 1013 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) : 1.63 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.68 REMARK 3 REFLECTION IN BIN (WORKING SET) : 1146 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 BIN R VALUE (WORKING SET) : 0.3390 REMARK 3 BIN FREE R VALUE SET COUNT : 61 REMARK 3 BIN FREE R VALUE : 0.3070 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1204 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 1 REMARK 3 SOLVENT ATOMS : 252 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 21.84 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 13.36 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.82000 REMARK 3 B22 (A**2) : -0.52000 REMARK 3 B33 (A**2) : 1.14000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 1.19000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.083 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.087 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.054 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 1.561 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.969 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.951 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1248 ; 0.010 ; 0.021 REMARK 3 BOND LENGTHS OTHERS (A): 1108 ; 0.005 ; 0.020 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1695 ; 1.356 ; 1.950 REMARK 3 BOND ANGLES OTHERS (DEGREES): 2593 ; 1.858 ; 3.000 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 170 ; 6.233 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): NULL ; NULL ; NULL REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 198 ; 0.084 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1420 ; 0.005 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): 227 ; 0.003 ; 0.020 REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 208 ; 0.192 ; 0.200 REMARK 3 NON-BONDED CONTACTS OTHERS (A): 1242 ; 0.253 ; 0.200 REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION OTHERS (A): 648 ; 0.084 ; 0.200 REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 158 ; 0.154 ; 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): 12 ; 0.132 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): 69 ; 0.328 ; 0.200 REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 25 ; 0.119 ; 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): 841 ; 0.831 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1348 ; 1.484 ; 2.000 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 407 ; 2.123 ; 3.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 347 ; 3.475 ; 4.500 REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : BABINET MODEL WITH MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.40 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 RIDING REMARK 3 POSITIONS REMARK 4 REMARK 4 1PZS COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 14-JUL-03. REMARK 100 THE RCSB ID CODE IS RCSB019736. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 15-NOV-02 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7.0 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ESRF REMARK 200 BEAMLINE : ID13 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.9755 REMARK 200 MONOCHROMATOR : SI 111 REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MAR REMARK 200 DATA SCALING SOFTWARE : XDS REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 20248 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.634 REMARK 200 RESOLUTION RANGE LOW (A) : 27.950 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 96.0 REMARK 200 DATA REDUNDANCY : 3.620 REMARK 200 R MERGE (I) : 0.06700 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 13.5400 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.63 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.80 REMARK 200 COMPLETENESS FOR SHELL (%) : 87.9 REMARK 200 DATA REDUNDANCY IN SHELL : 3.27 REMARK 200 R MERGE FOR SHELL (I) : 0.27300 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 5.170 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: PDB ENTRY 1JCV.PDB REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 39.29 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.03 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PEG 4000, AMMONIUM SULFATE, ZINC REMARK 280 CHLORIDE, PH 7.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 20K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y,-Z REMARK 290 3555 X+1/2,Y+1/2,Z REMARK 290 4555 -X+1/2,Y+1/2,-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 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 35.02000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 29.21000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 35.02000 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 29.21000 REMARK 290 SMTRY3 4 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 BY THE TWO REMARK 300 FOLD AXIS: -X, Y, -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,PQS REMARK 350 TOTAL BURIED SURFACE AREA: 3270 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 14050 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -14.0 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 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 2 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 HOH A 215 LIES ON A SPECIAL POSITION. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 CYS A -36 REMARK 465 SER A -35 REMARK 465 SER A -34 REMARK 465 PRO A -33 REMARK 465 GLN A -32 REMARK 465 HIS A -31 REMARK 465 ALA A -30 REMARK 465 SER A -29 REMARK 465 THR A -28 REMARK 465 VAL A -27 REMARK 465 PRO A -26 REMARK 465 GLY A -25 REMARK 465 THR A -24 REMARK 465 THR A -23 REMARK 465 PRO A -22 REMARK 465 SER A -21 REMARK 465 ILE A -20 REMARK 465 TRP A -19 REMARK 465 THR A -18 REMARK 465 GLY A -17 REMARK 465 SER A -16 REMARK 465 PRO A -15 REMARK 465 ALA A -14 REMARK 465 PRO A -13 REMARK 465 SER A -12 REMARK 465 GLY A -11 REMARK 465 LEU A -10 REMARK 465 SER A -9 REMARK 465 GLY A -8 REMARK 465 HIS A -7 REMARK 465 ASP A -6 REMARK 465 GLU A -5 REMARK 465 GLU A -4 REMARK 465 SER A -3 REMARK 465 PRO A -2 REMARK 465 GLY A -1 REMARK 465 ALA A 0 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 NE2 HIS A 75 O HOH A 448 1.98 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 LYS A 120 -170.33 67.50 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 A 322 DISTANCE = 6.01 ANGSTROMS REMARK 525 HOH A 338 DISTANCE = 5.67 ANGSTROMS REMARK 525 HOH A 394 DISTANCE = 5.32 ANGSTROMS REMARK 525 HOH A 411 DISTANCE = 5.41 ANGSTROMS REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CU A 172 CU REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 47 ND1 REMARK 620 2 HIS A 49 NE2 151.0 REMARK 620 3 HIS A 126 NE2 95.8 113.1 REMARK 620 4 HOH A 448 O 81.8 102.1 86.8 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CU A 172 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1JCV RELATED DB: PDB REMARK 900 REDUCED BRIDGE-BROKEN YEAST CU/ZN SUPEROXIDE DISMUTASE LOW REMARK 900 TEMPERATURE (-180C) STRUCTURE REMARK 900 RELATED ID: 1BZO RELATED DB: PDB REMARK 900 THREE-DIMENSIONAL STRUCTURE OF PROKARYOTIC CU, ZN REMARK 900 SUPEROXIDE DISMUTASE FROM P. LEIOGNATHI, SOLVED BY X-RAY REMARK 900 CRYSTALLOGRAPHY. REMARK 900 RELATED ID: 1ESO RELATED DB: PDB REMARK 900 MONOMERIC CU, ZN SUPEROXIDE DISMUTASE FROM ESCHERICHIA COLI REMARK 900 RELATED ID: 1XSO RELATED DB: PDB REMARK 900 THREE-DIMENSIONAL STRUCTURE OF XENOPUS LAEVIS CU, ZN REMARK 900 SUPEROXIDE DISMUTASE B DETERMINED BY X-RAY CRYSTALLOGRAPHY REMARK 900 AT 1.5 ANGSTROM RESOLUTION. REMARK 900 RELATED ID: 1EQW RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF SALMONELLA TYPHIMURIUM CU, ZN REMARK 900 SUPEROXIDE DISMUTASE DBREF 1PZS A -34 171 UNP P0A608 SODC_MYCTU 33 240 SEQRES 1 A 208 CYS SER SER PRO GLN HIS ALA SER THR VAL PRO GLY THR SEQRES 2 A 208 THR PRO SER ILE TRP THR GLY SER PRO ALA PRO SER GLY SEQRES 3 A 208 LEU SER GLY HIS ASP GLU GLU SER PRO GLY ALA GLN SER SEQRES 4 A 208 LEU THR SER THR LEU THR ALA PRO ASP GLY THR LYS VAL SEQRES 5 A 208 ALA THR ALA LYS PHE GLU PHE ALA ASN GLY TYR ALA THR SEQRES 6 A 208 VAL THR ILE ALA THR THR GLY VAL GLY LYS LEU THR PRO SEQRES 7 A 208 GLY PHE HIS GLY LEU HIS ILE HIS GLN VAL GLY LYS CYS SEQRES 8 A 208 GLU PRO ASN SER VAL ALA PRO THR GLY GLY ALA PRO GLY SEQRES 9 A 208 ASN PHE LEU SER ALA GLY GLY HIS TYR HIS VAL PRO GLY SEQRES 10 A 208 HIS THR GLY THR PRO ALA SER GLY ASP LEU ALA SER LEU SEQRES 11 A 208 GLN VAL ARG GLY ASP GLY SER ALA MET LEU VAL THR THR SEQRES 12 A 208 THR ASP ALA PHE THR MET ASP ASP LEU LEU SER GLY ALA SEQRES 13 A 208 LYS THR ALA ILE ILE ILE HIS ALA GLY ALA ASP ASN PHE SEQRES 14 A 208 ALA ASN ILE PRO PRO GLU ARG TYR VAL GLN VAL ASN GLY SEQRES 15 A 208 THR PRO GLY PRO ASP GLU THR THR LEU THR THR GLY ASP SEQRES 16 A 208 ALA GLY LYS ARG VAL ALA CYS GLY VAL ILE GLY SER GLY HET CU A 172 1 HETNAM CU COPPER (II) ION FORMUL 2 CU CU 2+ FORMUL 3 HOH *252(H2 O) HELIX 1 1 PHE A 69 GLY A 73 5 5 HELIX 2 2 THR A 111 SER A 117 1 7 HELIX 3 3 ASP A 150 GLY A 157 1 8 SHEET 1 A 4 SER A 2 THR A 8 0 SHEET 2 A 4 LYS A 14 ALA A 23 -1 O ALA A 16 N LEU A 7 SHEET 3 A 4 TYR A 26 THR A 33 -1 O THR A 28 N GLU A 21 SHEET 4 A 4 MET A 102 THR A 107 -1 O THR A 107 N ALA A 27 SHEET 1 B 2 GLY A 42 HIS A 44 0 SHEET 2 B 2 LEU A 93 VAL A 95 -1 O VAL A 95 N GLY A 42 SHEET 1 C 3 LEU A 46 HIS A 49 0 SHEET 2 C 3 ALA A 122 HIS A 126 -1 O ALA A 122 N HIS A 49 SHEET 3 C 3 ARG A 162 VAL A 167 -1 O GLY A 166 N ILE A 123 SSBOND *** CYS A 54 CYS A 165 1555 1555 2.06 LINK CU CU A 172 ND1 HIS A 47 1555 1555 2.07 LINK CU CU A 172 NE2 HIS A 49 1555 1555 2.05 LINK CU CU A 172 NE2 HIS A 126 1555 1555 2.04 LINK CU CU A 172 O HOH A 448 1555 1555 1.93 CISPEP 1 THR A 84 PRO A 85 0 -0.65 SITE *** AC1 5 HIS A 47 HIS A 49 HIS A 75 HIS A 126 SITE *** AC1 5 HOH A 448 CRYST1 70.040 58.420 51.390 90.00 126.99 90.00 C 1 2 1 4 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 0.014278 0.000000 0.010755 0.00000 SCALE2 0.000000 0.017117 0.000000 0.00000 SCALE3 0.000000 0.000000 0.024362 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 47 HIS HD1 : A 47 HIS ND1 : A 172 CUCU :(H bumps) USER MOD NoAdj-H: A 49 HIS HE2 : A 49 HIS NE2 : A 172 CUCU :(H bumps) USER MOD NoAdj-H: A 126 HIS HE2 : A 126 HIS NE2 : A 172 CUCU :(H bumps) USER MOD Set 1.1: A 142 GLN : amide:sc= 1.65 K(o=2.7,f=-1.6) USER MOD Set 1.2: A 144 ASN : amide:sc= 0.752 K(o=2.7,f=-0.5) USER MOD Set 1.3: A 146 THR OG1 : rot 86:sc= 0.322 USER MOD Set 2.1: A 58 SER OG : rot -105:sc= 1.14 USER MOD Set 2.2: A 71 SER OG : rot 170:sc= 2.34 USER MOD Set 3.1: A 40 THR OG1 : rot 104:sc= 1.98 USER MOD Set 3.2: A 44 HIS : no HD1:sc= 0.446 K(o=2.4,f=-5.8!) USER MOD Single : A 1 GLN : amide:sc= -0.589 K(o=-0.59,f=-0.0041) USER MOD Single : A 1 GLN N :NH3+ -133:sc= -0.422! (180deg=-1.07) USER MOD Single : A 2 SER OG A: rot 130:sc=-0.00377 USER MOD Single : A 2 SER OG B: rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 106:sc= 1.26 USER MOD Single : A 5 SER OG : rot 74:sc= 0.319 USER MOD Single : A 6 THR OG1 : rot 92:sc= 2.4 USER MOD Single : A 8 THR OG1 : rot 178:sc= 1.61 USER MOD Single : A 13 THR OG1 : rot -75:sc= 0.9 USER MOD Single : A 14 LYS NZ :NH3+ -171:sc= 0.961 (180deg=0.928) USER MOD Single : A 17 THR OG1 : rot 161:sc= 1.19 USER MOD Single : A 19 LYS NZ :NH3+ -127:sc= 0.28 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0117 X(o=-0.012,f=0) USER MOD Single : A 26 TYR OH : rot -36:sc= 2.11 USER MOD Single : A 28 THR OG1 : rot 0:sc= 2.09 USER MOD Single : A 30 THR OG1 : rot -154:sc= 1.88 USER MOD Single : A 33 THR OG1 : rot 84:sc= 1.46 USER MOD Single : A 34 THR OG1 : rot 100:sc= 0.236 USER MOD Single : A 38 LYS NZ :NH3+ 135:sc= 0.819 (180deg=-0.697) USER MOD Single : A 50 GLN : amide:sc= -1.87! K(o=-1.9!,f=-0.23) USER MOD Single : A 53 LYS NZ :NH3+ -165:sc= 0.0477 (180deg=0.0214) USER MOD Single : A 57 ASN : amide:sc= -0.501 X(o=-0.5,f=-0.071) USER MOD Single : A 62 THR OG1 : rot -69:sc= 2.32 USER MOD Single : A 68 ASN : amide:sc= 0.746 K(o=0.75,f=-0.78) USER MOD Single : A 75 HIS : no HD1:sc= -0.628! C(o=-0.63!,f=-12!) USER MOD Single : A 76 TYR OH : rot -21:sc= 0.476 USER MOD Single : A 77 HIS : no HE2:sc= -0.0924 X(o=-0.092,f=0.05) USER MOD Single : A 81 HIS : no HE2:sc= 0.0226 X(o=0.023,f=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot -113:sc= 1.09 USER MOD Single : A 87 SER OG : rot -86:sc= 1.06 USER MOD Single : A 92 SER OG : rot 88:sc= 1.94 USER MOD Single : A 94 GLN : amide:sc= 0.86 K(o=0.86,f=0.23) USER MOD Single : A 100 SER OG : rot -157:sc= 1.26 USER MOD Single : A 102 MET CE A:methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE B:methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE C:methyl 177:sc= 0 (180deg=-0.0152) USER MOD Single : A 102 MET CE D:methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 83:sc= 0.765 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 39:sc= 1.18 USER MOD Single : A 111 THR OG1 : rot -165:sc= 1.33 USER MOD Single : A 112 MET CE A:methyl 180:sc= 0 (180deg=0) USER MOD Single : A 112 MET CE B:methyl -153:sc= -0.226 (180deg=-1.15) USER MOD Single : A 112 MET CE C:methyl -138:sc= -0.422 (180deg=-1.75) USER MOD Single : A 117 SER OG A: rot -83:sc= 2.44 USER MOD Single : A 117 SER OG B: rot 77:sc= 0.463 USER MOD Single : A 120 LYS NZ :NH3+ 158:sc= 1.23 (180deg=0.712) USER MOD Single : A 121 THR OG1 : rot -36:sc= 1.01 USER MOD Single : A 131 ASN : amide:sc= 0.46 K(o=0.46,f=-5.5!) USER MOD Single : A 134 ASN : amide:sc= 1.55 K(o=1.6,f=-1.2) USER MOD Single : A 140 TYR OH : rot 180:sc= 0 USER MOD Single : A 152 THR OG1 : rot -175:sc= 2.01 USER MOD Single : A 153 THR OG1 : rot -78:sc= 1.38 USER MOD Single : A 155 THR OG1 : rot -73:sc= 1.67 USER MOD Single : A 156 THR OG1 : rot -68:sc= 1.05 USER MOD Single : A 161 LYS NZ :NH3+ 168:sc= -0.084 (180deg=-0.284) USER MOD Single : A 170 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 11.000 11.730 -13.628 1.00 24.33 N ATOM 2 CA GLN A 1 9.884 12.711 -13.688 1.00 22.95 C ATOM 3 C GLN A 1 9.948 13.741 -12.570 1.00 21.11 C ATOM 4 O GLN A 1 9.035 14.541 -12.461 1.00 19.55 O ATOM 5 CB GLN A 1 8.516 12.020 -13.562 1.00 24.17 C ATOM 6 CG GLN A 1 8.192 10.960 -14.608 1.00 26.68 C ATOM 7 CD GLN A 1 6.691 10.691 -14.732 1.00 30.78 C ATOM 8 OE1 GLN A 1 6.228 10.197 -15.773 1.00 33.90 O ATOM 9 NE2 GLN A 1 5.931 11.011 -13.682 1.00 32.33 N ATOM 0 H1 GLN A 1 11.358 11.637 -14.438 1.00 24.33 H new ATOM 0 H2 GLN A 1 11.621 12.021 -13.061 1.00 24.33 H new ATOM 0 H3 GLN A 1 10.690 10.944 -13.350 1.00 24.33 H new ATOM 0 HA GLN A 1 9.982 13.145 -14.550 1.00 22.95 H new ATOM 0 HB2 GLN A 1 8.463 11.608 -12.685 1.00 24.17 H new ATOM 0 HB3 GLN A 1 7.827 12.702 -13.597 1.00 24.17 H new ATOM 0 HG2 GLN A 1 8.538 11.244 -15.469 1.00 26.68 H new ATOM 0 HG3 GLN A 1 8.647 10.135 -14.378 1.00 26.68 H new ATOM 0 HE21 GLN A 1 6.290 11.351 -12.979 1.00 32.33 H new ATOM 0 HE22 GLN A 1 5.082 10.877 -13.709 1.00 32.33 H new ATOM 10 N SER A 2 10.996 13.703 -11.743 1.00 19.39 N ATOM 11 CA SER A 2 11.070 14.530 -10.531 1.00 17.93 C ATOM 12 C SER A 2 12.420 15.251 -10.408 1.00 16.36 C ATOM 13 O SER A 2 13.454 14.735 -10.842 1.00 17.86 O ATOM 14 CB SER A 2 10.812 13.659 -9.290 1.00 18.94 C ATOM 15 OG ASER A 2 9.442 13.814 -8.953 0.50 19.30 O ATOM 16 OG BSER A 2 12.026 12.945 -9.121 0.50 18.94 O ATOM 0 H SER A 2 11.682 13.200 -11.867 1.00 19.39 H new ATOM 0 HA SER A 2 10.385 15.214 -10.595 1.00 17.93 H new ATOM 0 HB2ASER A 2 11.017 12.729 -9.475 0.50 18.94 H new ATOM 0 HB2BSER A 2 10.606 14.200 -8.512 0.50 18.94 H new ATOM 0 HB3ASER A 2 11.380 13.934 -8.553 0.50 18.94 H new ATOM 0 HB3BSER A 2 10.062 13.059 -9.425 0.50 18.94 H new ATOM 0 HG ASER A 2 9.090 13.058 -8.854 0.50 18.94 H new ATOM 0 HG BSER A 2 11.964 12.441 -8.452 0.50 18.94 H new ATOM 17 N LEU A 3 12.401 16.456 -9.846 1.00 13.10 N ATOM 18 CA LEU A 3 13.606 17.136 -9.376 1.00 12.38 C ATOM 19 C LEU A 3 13.489 17.340 -7.871 1.00 10.93 C ATOM 20 O LEU A 3 12.403 17.273 -7.319 1.00 10.04 O ATOM 21 CB LEU A 3 13.789 18.468 -10.095 1.00 12.05 C ATOM 22 CG LEU A 3 13.916 18.407 -11.617 1.00 13.76 C ATOM 23 CD1 LEU A 3 14.001 19.788 -12.194 1.00 14.29 C ATOM 24 CD2 LEU A 3 15.139 17.630 -12.012 1.00 15.03 C ATOM 0 H LEU A 3 11.679 16.908 -9.725 1.00 13.10 H new ATOM 0 HA LEU A 3 14.387 16.594 -9.571 1.00 12.38 H new ATOM 0 HB2 LEU A 3 13.036 19.038 -9.875 1.00 12.05 H new ATOM 0 HB3 LEU A 3 14.583 18.898 -9.741 1.00 12.05 H new ATOM 0 HG LEU A 3 13.127 17.963 -11.965 1.00 13.76 H new ATOM 0 HD11 LEU A 3 14.081 19.731 -13.159 1.00 14.29 H new ATOM 0 HD12 LEU A 3 13.200 20.284 -11.965 1.00 14.29 H new ATOM 0 HD13 LEU A 3 14.777 20.243 -11.832 1.00 14.29 H new ATOM 0 HD21 LEU A 3 15.205 17.600 -12.979 1.00 15.03 H new ATOM 0 HD22 LEU A 3 15.928 18.061 -11.647 1.00 15.03 H new ATOM 0 HD23 LEU A 3 15.075 16.726 -11.665 1.00 15.03 H new ATOM 25 N THR A 4 14.614 17.542 -7.200 1.00 10.44 N ATOM 26 CA THR A 4 14.609 17.683 -5.747 1.00 10.63 C ATOM 27 C THR A 4 15.536 18.805 -5.321 1.00 9.72 C ATOM 28 O THR A 4 16.351 19.281 -6.099 1.00 9.80 O ATOM 29 CB THR A 4 15.055 16.392 -5.064 1.00 10.86 C ATOM 30 OG1 THR A 4 16.363 16.018 -5.526 1.00 12.48 O ATOM 31 CG2 THR A 4 14.169 15.218 -5.446 1.00 12.14 C ATOM 0 H THR A 4 15.391 17.601 -7.564 1.00 10.44 H new ATOM 0 HA THR A 4 13.699 17.886 -5.479 1.00 10.63 H new ATOM 0 HB THR A 4 15.022 16.567 -4.111 1.00 10.86 H new ATOM 0 HG1 THR A 4 16.928 16.176 -4.925 1.00 12.48 H new ATOM 0 HG21 THR A 4 14.480 14.417 -4.995 1.00 12.14 H new ATOM 0 HG22 THR A 4 13.254 15.403 -5.181 1.00 12.14 H new ATOM 0 HG23 THR A 4 14.206 15.083 -6.406 1.00 12.14 H new ATOM 32 N SER A 5 15.429 19.206 -4.059 1.00 9.09 N ATOM 33 CA SER A 5 16.363 20.167 -3.495 1.00 10.17 C ATOM 34 C SER A 5 16.437 20.013 -1.993 1.00 9.81 C ATOM 35 O SER A 5 15.443 19.654 -1.366 1.00 11.03 O ATOM 36 CB SER A 5 15.908 21.592 -3.823 1.00 10.46 C ATOM 37 OG SER A 5 16.861 22.547 -3.388 1.00 10.97 O ATOM 0 H SER A 5 14.822 18.933 -3.514 1.00 9.09 H new ATOM 0 HA SER A 5 17.238 20.002 -3.880 1.00 10.17 H new ATOM 0 HB2 SER A 5 15.773 21.679 -4.780 1.00 10.46 H new ATOM 0 HB3 SER A 5 15.054 21.767 -3.398 1.00 10.46 H new ATOM 0 HG SER A 5 17.527 22.532 -3.900 1.00 10.97 H new ATOM 38 N THR A 6 17.615 20.254 -1.423 1.00 9.09 N ATOM 39 CA THR A 6 17.778 20.353 0.024 1.00 8.93 C ATOM 40 C THR A 6 18.093 21.812 0.353 1.00 9.03 C ATOM 41 O THR A 6 19.063 22.375 -0.165 1.00 9.07 O ATOM 42 CB THR A 6 18.882 19.415 0.517 1.00 9.38 C ATOM 43 OG1 THR A 6 18.492 18.048 0.292 1.00 10.41 O ATOM 44 CG2 THR A 6 19.047 19.519 2.023 1.00 10.08 C ATOM 0 H THR A 6 18.344 20.365 -1.866 1.00 9.09 H new ATOM 0 HA THR A 6 16.965 20.080 0.477 1.00 8.93 H new ATOM 0 HB THR A 6 19.693 19.661 0.046 1.00 9.38 H new ATOM 0 HG1 THR A 6 18.772 17.796 -0.459 1.00 10.41 H new ATOM 0 HG21 THR A 6 19.750 18.918 2.314 1.00 10.08 H new ATOM 0 HG22 THR A 6 19.282 20.430 2.261 1.00 10.08 H new ATOM 0 HG23 THR A 6 18.214 19.276 2.457 1.00 10.08 H new ATOM 45 N LEU A 7 17.236 22.440 1.153 1.00 8.62 N ATOM 46 CA LEU A 7 17.382 23.862 1.447 1.00 8.85 C ATOM 47 C LEU A 7 18.153 24.031 2.736 1.00 9.22 C ATOM 48 O LEU A 7 17.828 23.390 3.732 1.00 9.31 O ATOM 49 CB LEU A 7 16.016 24.524 1.584 1.00 8.98 C ATOM 50 CG LEU A 7 15.165 24.669 0.319 1.00 8.67 C ATOM 51 CD1 LEU A 7 14.361 23.400 0.047 1.00 10.21 C ATOM 52 CD2 LEU A 7 14.234 25.851 0.478 1.00 10.21 C ATOM 0 H LEU A 7 16.565 22.062 1.535 1.00 8.62 H new ATOM 0 HA LEU A 7 17.861 24.284 0.717 1.00 8.85 H new ATOM 0 HB2 LEU A 7 15.503 24.017 2.233 1.00 8.98 H new ATOM 0 HB3 LEU A 7 16.150 25.409 1.957 1.00 8.98 H new ATOM 0 HG LEU A 7 15.754 24.814 -0.438 1.00 8.67 H new ATOM 0 HD11 LEU A 7 13.832 23.518 -0.757 1.00 10.21 H new ATOM 0 HD12 LEU A 7 14.967 22.652 -0.072 1.00 10.21 H new ATOM 0 HD13 LEU A 7 13.772 23.223 0.797 1.00 10.21 H new ATOM 0 HD21 LEU A 7 13.693 25.947 -0.321 1.00 10.21 H new ATOM 0 HD22 LEU A 7 13.656 25.707 1.244 1.00 10.21 H new ATOM 0 HD23 LEU A 7 14.755 26.658 0.613 1.00 10.21 H new ATOM 53 N THR A 8 19.127 24.932 2.716 1.00 9.57 N ATOM 54 CA THR A 8 19.933 25.249 3.893 1.00 10.63 C ATOM 55 C THR A 8 19.807 26.707 4.319 1.00 10.20 C ATOM 56 O THR A 8 19.481 27.586 3.532 1.00 10.20 O ATOM 57 CB THR A 8 21.408 24.950 3.635 1.00 11.09 C ATOM 58 OG1 THR A 8 21.843 25.638 2.451 1.00 12.93 O ATOM 59 CG2 THR A 8 21.647 23.455 3.346 1.00 13.12 C ATOM 0 H THR A 8 19.342 25.381 2.015 1.00 9.57 H new ATOM 0 HA THR A 8 19.592 24.689 4.608 1.00 10.63 H new ATOM 0 HB THR A 8 21.888 25.229 4.431 1.00 11.09 H new ATOM 0 HG1 THR A 8 22.660 25.489 2.325 1.00 12.93 H new ATOM 0 HG21 THR A 8 22.592 23.303 3.187 1.00 13.12 H new ATOM 0 HG22 THR A 8 21.358 22.928 4.107 1.00 13.12 H new ATOM 0 HG23 THR A 8 21.141 23.192 2.561 1.00 13.12 H new ATOM 60 N ALA A 9 20.083 26.932 5.594 1.00 10.69 N ATOM 61 CA ALA A 9 20.131 28.259 6.193 1.00 10.77 C ATOM 62 C ALA A 9 21.476 28.921 5.863 1.00 11.19 C ATOM 63 O ALA A 9 22.402 28.231 5.383 1.00 11.19 O ATOM 64 CB ALA A 9 19.954 28.141 7.680 1.00 10.80 C ATOM 0 H ALA A 9 20.253 26.300 6.152 1.00 10.69 H new ATOM 0 HA ALA A 9 19.417 28.809 5.835 1.00 10.77 H new ATOM 0 HB1 ALA A 9 19.986 29.024 8.081 1.00 10.80 H new ATOM 0 HB2 ALA A 9 19.097 27.730 7.872 1.00 10.80 H new ATOM 0 HB3 ALA A 9 20.665 27.593 8.048 1.00 10.80 H new ATOM 65 N PRO A 10 21.595 30.234 6.083 1.00 11.98 N ATOM 66 CA PRO A 10 22.879 30.936 5.896 1.00 12.73 C ATOM 67 C PRO A 10 24.072 30.301 6.612 1.00 13.68 C ATOM 68 O PRO A 10 25.189 30.419 6.103 1.00 13.96 O ATOM 69 CB PRO A 10 22.581 32.343 6.434 1.00 13.42 C ATOM 70 CG PRO A 10 21.128 32.527 6.142 1.00 12.85 C ATOM 71 CD PRO A 10 20.528 31.187 6.452 1.00 11.76 C ATOM 0 HA PRO A 10 23.158 30.911 4.967 1.00 12.73 H new ATOM 0 HB2 PRO A 10 22.766 32.409 7.384 1.00 13.42 H new ATOM 0 HB3 PRO A 10 23.122 33.016 5.993 1.00 13.42 H new ATOM 0 HG2 PRO A 10 20.740 33.226 6.691 1.00 12.85 H new ATOM 0 HG3 PRO A 10 20.980 32.778 5.217 1.00 12.85 H new ATOM 0 HD2 PRO A 10 20.290 31.111 7.389 1.00 11.76 H new ATOM 0 HD3 PRO A 10 19.719 31.032 5.941 1.00 11.76 H new ATOM 72 N ASP A 11 23.859 29.648 7.750 1.00 13.97 N ATOM 73 CA ASP A 11 24.968 28.978 8.451 1.00 15.20 C ATOM 74 C ASP A 11 25.255 27.561 7.942 1.00 15.14 C ATOM 75 O ASP A 11 26.136 26.867 8.475 1.00 15.45 O ATOM 76 CB ASP A 11 24.760 28.990 9.976 1.00 15.73 C ATOM 77 CG ASP A 11 23.593 28.138 10.434 1.00 18.04 C ATOM 78 OD1 ASP A 11 22.945 27.463 9.606 1.00 16.49 O ATOM 79 OD2 ASP A 11 23.249 28.087 11.641 1.00 22.44 O ATOM 0 H ASP A 11 23.093 29.577 8.134 1.00 13.97 H new ATOM 0 HA ASP A 11 25.759 29.500 8.244 1.00 15.20 H new ATOM 0 HB2 ASP A 11 25.570 28.676 10.408 1.00 15.73 H new ATOM 0 HB3 ASP A 11 24.618 29.904 10.269 1.00 15.73 H new ATOM 80 N GLY A 12 24.516 27.131 6.925 1.00 14.36 N ATOM 81 CA GLY A 12 24.732 25.850 6.277 1.00 14.51 C ATOM 82 C GLY A 12 23.914 24.678 6.793 1.00 15.03 C ATOM 83 O GLY A 12 23.979 23.587 6.212 1.00 16.26 O ATOM 0 H GLY A 12 23.866 27.584 6.589 1.00 14.36 H new ATOM 0 HA2 GLY A 12 24.548 25.955 5.330 1.00 14.51 H new ATOM 0 HA3 GLY A 12 25.672 25.623 6.360 1.00 14.51 H new ATOM 84 N THR A 13 23.152 24.879 7.862 1.00 14.93 N ATOM 85 CA THR A 13 22.339 23.799 8.408 1.00 15.42 C ATOM 86 C THR A 13 21.088 23.553 7.582 1.00 14.24 C ATOM 87 O THR A 13 20.521 24.474 6.988 1.00 14.01 O ATOM 88 CB THR A 13 21.929 24.068 9.843 1.00 16.15 C ATOM 89 OG1 THR A 13 21.234 25.302 9.927 1.00 18.19 O ATOM 90 CG2 THR A 13 23.127 24.264 10.740 1.00 18.19 C ATOM 0 H THR A 13 23.091 25.626 8.283 1.00 14.93 H new ATOM 0 HA THR A 13 22.900 23.008 8.379 1.00 15.42 H new ATOM 0 HB THR A 13 21.396 23.305 10.115 1.00 16.15 H new ATOM 0 HG1 THR A 13 21.781 25.937 9.869 1.00 18.19 H new ATOM 0 HG21 THR A 13 22.828 24.433 11.647 1.00 18.19 H new ATOM 0 HG22 THR A 13 23.677 23.465 10.725 1.00 18.19 H new ATOM 0 HG23 THR A 13 23.647 25.020 10.425 1.00 18.19 H new ATOM 91 N LYS A 14 20.637 22.307 7.595 1.00 13.53 N ATOM 92 CA LYS A 14 19.508 21.886 6.773 1.00 13.52 C ATOM 93 C LYS A 14 18.216 22.404 7.383 1.00 12.81 C ATOM 94 O LYS A 14 18.011 22.340 8.598 1.00 14.13 O ATOM 95 CB LYS A 14 19.505 20.363 6.648 1.00 14.05 C ATOM 96 CG LYS A 14 18.463 19.777 5.721 1.00 16.87 C ATOM 97 CD LYS A 14 18.711 18.279 5.489 1.00 20.07 C ATOM 98 CE LYS A 14 18.546 17.473 6.770 1.00 21.50 C ATOM 99 NZ LYS A 14 18.388 15.990 6.544 1.00 22.95 N ATOM 0 H LYS A 14 20.975 21.681 8.079 1.00 13.53 H new ATOM 0 HA LYS A 14 19.587 22.257 5.880 1.00 13.52 H new ATOM 0 HB2 LYS A 14 20.381 20.079 6.342 1.00 14.05 H new ATOM 0 HB3 LYS A 14 19.377 19.984 7.531 1.00 14.05 H new ATOM 0 HG2 LYS A 14 17.579 19.907 6.099 1.00 16.87 H new ATOM 0 HG3 LYS A 14 18.480 20.246 4.872 1.00 16.87 H new ATOM 0 HD2 LYS A 14 18.093 17.949 4.818 1.00 20.07 H new ATOM 0 HD3 LYS A 14 19.606 18.150 5.139 1.00 20.07 H new ATOM 0 HE2 LYS A 14 19.318 17.624 7.338 1.00 21.50 H new ATOM 0 HE3 LYS A 14 17.771 17.802 7.251 1.00 21.50 H new ATOM 0 HZ1 LYS A 14 18.167 15.595 7.310 1.00 22.95 H new ATOM 0 HZ2 LYS A 14 17.748 15.848 5.942 1.00 22.95 H new ATOM 0 HZ3 LYS A 14 19.155 15.651 6.247 1.00 22.95 H new ATOM 100 N VAL A 15 17.346 22.944 6.535 1.00 11.38 N ATOM 101 CA VAL A 15 16.079 23.529 6.954 1.00 10.90 C ATOM 102 C VAL A 15 14.883 22.731 6.425 1.00 9.86 C ATOM 103 O VAL A 15 13.922 22.504 7.149 1.00 10.00 O ATOM 104 CB VAL A 15 15.961 25.018 6.465 1.00 11.42 C ATOM 105 CG1 VAL A 15 14.579 25.585 6.690 1.00 13.39 C ATOM 106 CG2 VAL A 15 17.026 25.899 7.133 1.00 12.82 C ATOM 0 H VAL A 15 17.479 22.981 5.686 1.00 11.38 H new ATOM 0 HA VAL A 15 16.065 23.503 7.924 1.00 10.90 H new ATOM 0 HB VAL A 15 16.117 25.016 5.508 1.00 11.42 H new ATOM 0 HG11 VAL A 15 14.550 26.502 6.375 1.00 13.39 H new ATOM 0 HG12 VAL A 15 13.929 25.056 6.202 1.00 13.39 H new ATOM 0 HG13 VAL A 15 14.370 25.562 7.637 1.00 13.39 H new ATOM 0 HG21 VAL A 15 16.935 26.812 6.818 1.00 12.82 H new ATOM 0 HG22 VAL A 15 16.908 25.877 8.095 1.00 12.82 H new ATOM 0 HG23 VAL A 15 17.909 25.566 6.908 1.00 12.82 H new ATOM 107 N ALA A 16 14.936 22.344 5.158 1.00 9.43 N ATOM 108 CA ALA A 16 13.793 21.726 4.482 1.00 8.79 C ATOM 109 C ALA A 16 14.255 20.968 3.245 1.00 8.84 C ATOM 110 O ALA A 16 15.392 21.138 2.779 1.00 8.89 O ATOM 111 CB ALA A 16 12.768 22.788 4.083 1.00 8.96 C ATOM 0 H ALA A 16 15.633 22.430 4.662 1.00 9.43 H new ATOM 0 HA ALA A 16 13.377 21.103 5.098 1.00 8.79 H new ATOM 0 HB1 ALA A 16 12.018 22.363 3.637 1.00 8.96 H new ATOM 0 HB2 ALA A 16 12.453 23.248 4.877 1.00 8.96 H new ATOM 0 HB3 ALA A 16 13.181 23.427 3.482 1.00 8.96 H new ATOM 112 N THR A 17 13.375 20.118 2.736 1.00 7.48 N ATOM 113 CA THR A 17 13.580 19.505 1.434 1.00 8.11 C ATOM 114 C THR A 17 12.342 19.653 0.575 1.00 7.32 C ATOM 115 O THR A 17 11.216 19.774 1.074 1.00 7.61 O ATOM 116 CB THR A 17 13.956 18.021 1.502 1.00 8.24 C ATOM 117 OG1 THR A 17 12.968 17.289 2.215 1.00 10.37 O ATOM 118 CG2 THR A 17 15.244 17.781 2.252 1.00 9.76 C ATOM 0 H THR A 17 12.649 19.882 3.131 1.00 7.48 H new ATOM 0 HA THR A 17 14.331 19.978 1.042 1.00 8.11 H new ATOM 0 HB THR A 17 14.040 17.736 0.579 1.00 8.24 H new ATOM 0 HG1 THR A 17 13.038 16.472 2.032 1.00 10.37 H new ATOM 0 HG21 THR A 17 15.438 16.831 2.267 1.00 9.76 H new ATOM 0 HG22 THR A 17 15.968 18.251 1.810 1.00 9.76 H new ATOM 0 HG23 THR A 17 15.155 18.107 3.161 1.00 9.76 H new ATOM 119 N ALA A 18 12.597 19.657 -0.725 1.00 7.93 N ATOM 120 CA ALA A 18 11.585 19.918 -1.736 1.00 7.76 C ATOM 121 C ALA A 18 11.627 18.885 -2.865 1.00 8.38 C ATOM 122 O ALA A 18 12.681 18.362 -3.219 1.00 8.10 O ATOM 123 CB ALA A 18 11.761 21.305 -2.298 1.00 8.42 C ATOM 0 H ALA A 18 13.378 19.505 -1.051 1.00 7.93 H new ATOM 0 HA ALA A 18 10.718 19.850 -1.307 1.00 7.76 H new ATOM 0 HB1 ALA A 18 11.082 21.470 -2.971 1.00 8.42 H new ATOM 0 HB2 ALA A 18 11.674 21.957 -1.585 1.00 8.42 H new ATOM 0 HB3 ALA A 18 12.640 21.382 -2.700 1.00 8.42 H new ATOM 124 N LYS A 19 10.448 18.574 -3.387 1.00 8.84 N ATOM 125 CA LYS A 19 10.283 17.694 -4.542 1.00 9.99 C ATOM 126 C LYS A 19 9.417 18.415 -5.570 1.00 10.09 C ATOM 127 O LYS A 19 8.404 19.073 -5.229 1.00 9.69 O ATOM 128 CB LYS A 19 9.617 16.369 -4.106 1.00 11.23 C ATOM 129 CG LYS A 19 9.442 15.333 -5.219 1.00 13.51 C ATOM 130 CD LYS A 19 8.620 14.154 -4.707 1.00 17.87 C ATOM 131 CE LYS A 19 8.577 12.998 -5.712 1.00 22.21 C ATOM 132 NZ LYS A 19 7.502 12.036 -5.351 1.00 26.27 N ATOM 0 H LYS A 19 9.705 18.873 -3.075 1.00 8.84 H new ATOM 0 HA LYS A 19 11.146 17.482 -4.930 1.00 9.99 H new ATOM 0 HB2 LYS A 19 10.148 15.974 -3.397 1.00 11.23 H new ATOM 0 HB3 LYS A 19 8.746 16.570 -3.730 1.00 11.23 H new ATOM 0 HG2 LYS A 19 9.001 15.738 -5.982 1.00 13.51 H new ATOM 0 HG3 LYS A 19 10.310 15.024 -5.524 1.00 13.51 H new ATOM 0 HD2 LYS A 19 8.996 13.839 -3.870 1.00 17.87 H new ATOM 0 HD3 LYS A 19 7.716 14.450 -4.518 1.00 17.87 H new ATOM 0 HE2 LYS A 19 8.423 13.344 -6.605 1.00 22.21 H new ATOM 0 HE3 LYS A 19 9.434 12.543 -5.728 1.00 22.21 H new ATOM 0 HZ1 LYS A 19 7.842 11.215 -5.301 1.00 26.27 H new ATOM 0 HZ2 LYS A 19 7.154 12.261 -4.563 1.00 26.27 H new ATOM 0 HZ3 LYS A 19 6.865 12.055 -5.972 1.00 26.27 H new ATOM 133 N PHE A 20 9.815 18.271 -6.831 1.00 9.59 N ATOM 134 CA PHE A 20 9.157 18.861 -7.990 1.00 10.29 C ATOM 135 C PHE A 20 8.801 17.716 -8.925 1.00 11.14 C ATOM 136 O PHE A 20 9.671 17.200 -9.625 1.00 11.88 O ATOM 137 CB PHE A 20 10.088 19.884 -8.671 1.00 9.95 C ATOM 138 CG PHE A 20 10.595 20.969 -7.739 1.00 10.21 C ATOM 139 CD1 PHE A 20 9.985 22.208 -7.696 1.00 12.54 C ATOM 140 CD2 PHE A 20 11.669 20.732 -6.892 1.00 11.83 C ATOM 141 CE1 PHE A 20 10.444 23.208 -6.819 1.00 13.12 C ATOM 142 CE2 PHE A 20 12.127 21.720 -6.023 1.00 11.68 C ATOM 143 CZ PHE A 20 11.514 22.938 -5.989 1.00 12.55 C ATOM 0 H PHE A 20 10.507 17.806 -7.042 1.00 9.59 H new ATOM 0 HA PHE A 20 8.355 19.344 -7.735 1.00 10.29 H new ATOM 0 HB2 PHE A 20 10.847 19.415 -9.050 1.00 9.95 H new ATOM 0 HB3 PHE A 20 9.614 20.299 -9.409 1.00 9.95 H new ATOM 0 HD1 PHE A 20 9.262 22.383 -8.254 1.00 12.54 H new ATOM 0 HD2 PHE A 20 12.089 19.902 -6.905 1.00 11.83 H new ATOM 0 HE1 PHE A 20 10.031 24.041 -6.799 1.00 13.12 H new ATOM 0 HE2 PHE A 20 12.851 21.549 -5.466 1.00 11.68 H new ATOM 0 HZ PHE A 20 11.819 23.592 -5.402 1.00 12.55 H new ATOM 144 N GLU A 21 7.547 17.266 -8.893 1.00 11.84 N ATOM 145 CA GLU A 21 7.111 16.108 -9.685 1.00 12.95 C ATOM 146 C GLU A 21 6.310 16.547 -10.911 1.00 13.23 C ATOM 147 O GLU A 21 5.314 17.232 -10.799 1.00 11.76 O ATOM 148 CB GLU A 21 6.285 15.147 -8.822 1.00 14.15 C ATOM 149 CG GLU A 21 5.607 14.029 -9.603 1.00 18.47 C ATOM 150 CD GLU A 21 5.807 12.661 -8.997 1.00 26.93 C ATOM 151 OE1 GLU A 21 5.710 12.537 -7.744 1.00 31.65 O ATOM 152 OE2 GLU A 21 6.044 11.699 -9.789 1.00 32.36 O ATOM 0 H GLU A 21 6.926 17.619 -8.415 1.00 11.84 H new ATOM 0 HA GLU A 21 7.904 15.644 -9.996 1.00 12.95 H new ATOM 0 HB2 GLU A 21 6.864 14.753 -8.150 1.00 14.15 H new ATOM 0 HB3 GLU A 21 5.607 15.655 -8.350 1.00 14.15 H new ATOM 0 HG2 GLU A 21 4.656 14.214 -9.659 1.00 18.47 H new ATOM 0 HG3 GLU A 21 5.949 14.025 -10.511 1.00 18.47 H new ATOM 153 N PHE A 22 6.779 16.153 -12.087 1.00 13.22 N ATOM 154 CA PHE A 22 6.181 16.578 -13.348 1.00 14.01 C ATOM 155 C PHE A 22 5.378 15.436 -13.966 1.00 15.65 C ATOM 156 O PHE A 22 5.914 14.378 -14.248 1.00 16.42 O ATOM 157 CB PHE A 22 7.275 17.041 -14.294 1.00 13.62 C ATOM 158 CG PHE A 22 8.012 18.249 -13.800 1.00 11.75 C ATOM 159 CD1 PHE A 22 7.516 19.519 -14.042 1.00 12.10 C ATOM 160 CD2 PHE A 22 9.177 18.111 -13.060 1.00 12.45 C ATOM 161 CE1 PHE A 22 8.189 20.644 -13.585 1.00 11.61 C ATOM 162 CE2 PHE A 22 9.846 19.227 -12.584 1.00 10.98 C ATOM 163 CZ PHE A 22 9.345 20.495 -12.849 1.00 12.60 C ATOM 0 H PHE A 22 7.455 15.630 -12.178 1.00 13.22 H new ATOM 0 HA PHE A 22 5.574 17.316 -13.184 1.00 14.01 H new ATOM 0 HB2 PHE A 22 7.906 16.317 -14.428 1.00 13.62 H new ATOM 0 HB3 PHE A 22 6.884 17.240 -15.159 1.00 13.62 H new ATOM 0 HD1 PHE A 22 6.722 19.620 -14.516 1.00 12.10 H new ATOM 0 HD2 PHE A 22 9.512 17.262 -12.882 1.00 12.45 H new ATOM 0 HE1 PHE A 22 7.862 21.494 -13.774 1.00 11.61 H new ATOM 0 HE2 PHE A 22 10.627 19.127 -12.089 1.00 10.98 H new ATOM 0 HZ PHE A 22 9.791 21.246 -12.529 1.00 12.60 H new ATOM 164 N ALA A 23 4.088 15.673 -14.153 1.00 17.22 N ATOM 165 CA ALA A 23 3.176 14.693 -14.729 1.00 19.04 C ATOM 166 C ALA A 23 1.924 15.406 -15.220 1.00 20.76 C ATOM 167 O ALA A 23 1.502 16.406 -14.640 1.00 21.05 O ATOM 168 CB ALA A 23 2.818 13.660 -13.707 1.00 19.42 C ATOM 0 H ALA A 23 3.711 16.418 -13.946 1.00 17.22 H new ATOM 0 HA ALA A 23 3.607 14.248 -15.475 1.00 19.04 H new ATOM 0 HB1 ALA A 23 2.211 13.013 -14.099 1.00 19.42 H new ATOM 0 HB2 ALA A 23 3.622 13.208 -13.408 1.00 19.42 H new ATOM 0 HB3 ALA A 23 2.388 14.088 -12.950 1.00 19.42 H new ATOM 169 N ASN A 24 1.328 14.897 -16.301 1.00 22.40 N ATOM 170 CA ASN A 24 0.070 15.448 -16.812 1.00 23.36 C ATOM 171 C ASN A 24 0.119 16.933 -17.191 1.00 22.72 C ATOM 172 O ASN A 24 -0.901 17.624 -17.147 1.00 23.94 O ATOM 173 CB ASN A 24 -1.044 15.181 -15.795 1.00 24.24 C ATOM 174 CG ASN A 24 -1.044 13.736 -15.306 1.00 27.33 C ATOM 175 OD1 ASN A 24 -1.019 13.461 -14.100 1.00 30.92 O ATOM 176 ND2 ASN A 24 -1.046 12.803 -16.254 1.00 31.01 N ATOM 0 H ASN A 24 1.636 14.233 -16.753 1.00 22.40 H new ATOM 0 HA ASN A 24 -0.108 14.991 -17.649 1.00 23.36 H new ATOM 0 HB2 ASN A 24 -0.938 15.777 -15.037 1.00 24.24 H new ATOM 0 HB3 ASN A 24 -1.903 15.384 -16.198 1.00 24.24 H new ATOM 0 HD21 ASN A 24 -1.030 11.971 -16.038 1.00 31.01 H new ATOM 0 HD22 ASN A 24 -1.064 13.032 -17.083 1.00 31.01 H new ATOM 177 N GLY A 25 1.301 17.409 -17.580 1.00 21.19 N ATOM 178 CA GLY A 25 1.503 18.781 -18.012 1.00 20.45 C ATOM 179 C GLY A 25 1.656 19.821 -16.918 1.00 18.93 C ATOM 180 O GLY A 25 1.625 21.030 -17.203 1.00 19.69 O ATOM 0 H GLY A 25 2.017 16.932 -17.599 1.00 21.19 H new ATOM 0 HA2 GLY A 25 2.295 18.810 -18.571 1.00 20.45 H new ATOM 0 HA3 GLY A 25 0.753 19.037 -18.571 1.00 20.45 H new ATOM 181 N TYR A 26 1.806 19.375 -15.672 1.00 16.93 N ATOM 182 CA TYR A 26 2.046 20.294 -14.569 1.00 14.53 C ATOM 183 C TYR A 26 2.982 19.739 -13.500 1.00 13.26 C ATOM 184 O TYR A 26 3.313 18.564 -13.477 1.00 11.64 O ATOM 185 CB TYR A 26 0.725 20.772 -13.944 1.00 14.41 C ATOM 186 CG TYR A 26 -0.084 19.721 -13.257 1.00 14.09 C ATOM 187 CD1 TYR A 26 0.035 19.508 -11.894 1.00 13.23 C ATOM 188 CD2 TYR A 26 -1.007 18.957 -13.956 1.00 15.44 C ATOM 189 CE1 TYR A 26 -0.719 18.533 -11.250 1.00 14.96 C ATOM 190 CE2 TYR A 26 -1.763 17.979 -13.321 1.00 17.11 C ATOM 191 CZ TYR A 26 -1.620 17.773 -11.972 1.00 17.89 C ATOM 192 OH TYR A 26 -2.382 16.807 -11.335 1.00 20.33 O ATOM 0 H TYR A 26 1.772 18.546 -15.447 1.00 16.93 H new ATOM 0 HA TYR A 26 2.503 21.056 -14.958 1.00 14.53 H new ATOM 0 HB2 TYR A 26 0.924 21.473 -13.304 1.00 14.41 H new ATOM 0 HB3 TYR A 26 0.182 21.171 -14.642 1.00 14.41 H new ATOM 0 HD1 TYR A 26 0.629 20.026 -11.401 1.00 13.23 H new ATOM 0 HD2 TYR A 26 -1.122 19.102 -14.867 1.00 15.44 H new ATOM 0 HE1 TYR A 26 -0.617 18.393 -10.336 1.00 14.96 H new ATOM 0 HE2 TYR A 26 -2.365 17.465 -13.810 1.00 17.11 H new ATOM 0 HH TYR A 26 -1.926 16.443 -10.731 1.00 20.33 H new ATOM 193 N ALA A 27 3.411 20.636 -12.622 1.00 12.01 N ATOM 194 CA ALA A 27 4.314 20.323 -11.517 1.00 11.58 C ATOM 195 C ALA A 27 3.534 20.260 -10.212 1.00 11.11 C ATOM 196 O ALA A 27 2.716 21.139 -9.935 1.00 10.83 O ATOM 197 CB ALA A 27 5.386 21.399 -11.409 1.00 11.85 C ATOM 0 H ALA A 27 3.181 21.464 -12.651 1.00 12.01 H new ATOM 0 HA ALA A 27 4.731 19.464 -11.685 1.00 11.58 H new ATOM 0 HB1 ALA A 27 5.984 21.188 -10.675 1.00 11.85 H new ATOM 0 HB2 ALA A 27 5.891 21.437 -12.236 1.00 11.85 H new ATOM 0 HB3 ALA A 27 4.967 22.259 -11.247 1.00 11.85 H new ATOM 198 N THR A 28 3.809 19.233 -9.418 1.00 10.30 N ATOM 199 CA THR A 28 3.343 19.147 -8.038 1.00 10.12 C ATOM 200 C THR A 28 4.566 19.368 -7.185 1.00 9.60 C ATOM 201 O THR A 28 5.536 18.618 -7.294 1.00 9.35 O ATOM 202 CB THR A 28 2.712 17.787 -7.765 1.00 10.91 C ATOM 203 OG1 THR A 28 1.550 17.637 -8.600 1.00 12.81 O ATOM 204 CG2 THR A 28 2.196 17.679 -6.312 1.00 11.97 C ATOM 0 H THR A 28 4.278 18.557 -9.668 1.00 10.30 H new ATOM 0 HA THR A 28 2.657 19.805 -7.846 1.00 10.12 H new ATOM 0 HB THR A 28 3.392 17.116 -7.934 1.00 10.91 H new ATOM 0 HG1 THR A 28 1.455 18.324 -9.074 1.00 12.81 H new ATOM 0 HG21 THR A 28 1.802 16.804 -6.173 1.00 11.97 H new ATOM 0 HG22 THR A 28 2.935 17.802 -5.696 1.00 11.97 H new ATOM 0 HG23 THR A 28 1.527 18.363 -6.154 1.00 11.97 H new ATOM 205 N VAL A 29 4.522 20.403 -6.361 1.00 8.84 N ATOM 206 CA VAL A 29 5.677 20.841 -5.577 1.00 9.21 C ATOM 207 C VAL A 29 5.370 20.528 -4.105 1.00 8.97 C ATOM 208 O VAL A 29 4.368 21.003 -3.560 1.00 9.39 O ATOM 209 CB VAL A 29 5.939 22.358 -5.745 1.00 9.81 C ATOM 210 CG1 VAL A 29 7.086 22.790 -4.876 1.00 11.29 C ATOM 211 CG2 VAL A 29 6.190 22.724 -7.221 1.00 11.19 C ATOM 0 H VAL A 29 3.816 20.879 -6.237 1.00 8.84 H new ATOM 0 HA VAL A 29 6.473 20.378 -5.882 1.00 9.21 H new ATOM 0 HB VAL A 29 5.144 22.835 -5.461 1.00 9.81 H new ATOM 0 HG11 VAL A 29 7.239 23.741 -4.991 1.00 11.29 H new ATOM 0 HG12 VAL A 29 6.875 22.607 -3.947 1.00 11.29 H new ATOM 0 HG13 VAL A 29 7.885 22.302 -5.128 1.00 11.29 H new ATOM 0 HG21 VAL A 29 6.351 23.678 -7.295 1.00 11.19 H new ATOM 0 HG22 VAL A 29 6.964 22.240 -7.547 1.00 11.19 H new ATOM 0 HG23 VAL A 29 5.413 22.485 -7.750 1.00 11.19 H new ATOM 212 N THR A 30 6.228 19.734 -3.461 1.00 8.97 N ATOM 213 CA THR A 30 6.086 19.432 -2.043 1.00 9.63 C ATOM 214 C THR A 30 7.315 19.971 -1.323 1.00 9.04 C ATOM 215 O THR A 30 8.445 19.717 -1.748 1.00 9.34 O ATOM 216 CB THR A 30 5.991 17.912 -1.841 1.00 9.46 C ATOM 217 OG1 THR A 30 4.864 17.381 -2.553 1.00 12.69 O ATOM 218 CG2 THR A 30 5.725 17.558 -0.372 1.00 11.36 C ATOM 0 H THR A 30 6.905 19.359 -3.836 1.00 8.97 H new ATOM 0 HA THR A 30 5.280 19.841 -1.690 1.00 9.63 H new ATOM 0 HB THR A 30 6.834 17.547 -2.151 1.00 9.46 H new ATOM 0 HG1 THR A 30 4.604 16.675 -2.180 1.00 12.69 H new ATOM 0 HG21 THR A 30 5.670 16.594 -0.276 1.00 11.36 H new ATOM 0 HG22 THR A 30 6.448 17.897 0.179 1.00 11.36 H new ATOM 0 HG23 THR A 30 4.888 17.959 -0.089 1.00 11.36 H new ATOM 219 N ILE A 31 7.118 20.697 -0.232 1.00 8.75 N ATOM 220 CA ILE A 31 8.265 21.147 0.569 1.00 8.81 C ATOM 221 C ILE A 31 7.918 20.961 2.032 1.00 9.14 C ATOM 222 O ILE A 31 6.787 21.203 2.420 1.00 9.10 O ATOM 223 CB ILE A 31 8.655 22.613 0.229 1.00 8.78 C ATOM 224 CG1 ILE A 31 9.830 23.068 1.088 1.00 9.56 C ATOM 225 CG2 ILE A 31 7.481 23.577 0.351 1.00 9.64 C ATOM 226 CD1 ILE A 31 10.477 24.293 0.590 1.00 9.38 C ATOM 0 H ILE A 31 6.348 20.940 0.063 1.00 8.75 H new ATOM 0 HA ILE A 31 9.049 20.616 0.360 1.00 8.81 H new ATOM 0 HB ILE A 31 8.926 22.626 -0.702 1.00 8.78 H new ATOM 0 HG12 ILE A 31 9.520 23.219 1.995 1.00 9.56 H new ATOM 0 HG13 ILE A 31 10.488 22.356 1.128 1.00 9.56 H new ATOM 0 HG21 ILE A 31 7.775 24.475 0.130 1.00 9.64 H new ATOM 0 HG22 ILE A 31 6.776 23.308 -0.259 1.00 9.64 H new ATOM 0 HG23 ILE A 31 7.144 23.563 1.260 1.00 9.64 H new ATOM 0 HD11 ILE A 31 11.213 24.531 1.175 1.00 9.38 H new ATOM 0 HD12 ILE A 31 10.814 24.140 -0.307 1.00 9.38 H new ATOM 0 HD13 ILE A 31 9.831 25.016 0.573 1.00 9.38 H new ATOM 227 N ALA A 32 8.868 20.502 2.845 1.00 8.87 N ATOM 228 CA ALA A 32 8.599 20.351 4.263 1.00 8.56 C ATOM 229 C ALA A 32 9.874 20.495 5.043 1.00 8.54 C ATOM 230 O ALA A 32 10.951 20.153 4.552 1.00 8.01 O ATOM 231 CB ALA A 32 7.974 19.005 4.568 1.00 9.22 C ATOM 0 H ALA A 32 9.660 20.277 2.597 1.00 8.87 H new ATOM 0 HA ALA A 32 7.972 21.045 4.521 1.00 8.56 H new ATOM 0 HB1 ALA A 32 7.807 18.934 5.521 1.00 9.22 H new ATOM 0 HB2 ALA A 32 7.137 18.920 4.086 1.00 9.22 H new ATOM 0 HB3 ALA A 32 8.578 18.298 4.293 1.00 9.22 H new ATOM 232 N THR A 33 9.748 20.991 6.265 1.00 8.01 N ATOM 233 CA THR A 33 10.908 21.116 7.146 1.00 9.21 C ATOM 234 C THR A 33 11.451 19.761 7.563 1.00 10.78 C ATOM 235 O THR A 33 10.709 18.793 7.652 1.00 10.84 O ATOM 236 CB THR A 33 10.549 21.925 8.394 1.00 8.88 C ATOM 237 OG1 THR A 33 9.341 21.419 8.980 1.00 9.25 O ATOM 238 CG2 THR A 33 10.239 23.355 8.035 1.00 8.21 C ATOM 0 H THR A 33 9.006 21.261 6.605 1.00 8.01 H new ATOM 0 HA THR A 33 11.598 21.578 6.644 1.00 9.21 H new ATOM 0 HB THR A 33 11.307 21.862 8.996 1.00 8.88 H new ATOM 0 HG1 THR A 33 9.523 20.768 9.479 1.00 9.25 H new ATOM 0 HG21 THR A 33 10.014 23.849 8.839 1.00 8.21 H new ATOM 0 HG22 THR A 33 11.014 23.758 7.614 1.00 8.21 H new ATOM 0 HG23 THR A 33 9.489 23.379 7.421 1.00 8.21 H new ATOM 239 N THR A 34 12.743 19.722 7.880 1.00 12.92 N ATOM 240 CA THR A 34 13.397 18.474 8.301 1.00 15.72 C ATOM 241 C THR A 34 13.617 18.371 9.806 1.00 17.93 C ATOM 242 O THR A 34 14.088 17.351 10.304 1.00 19.61 O ATOM 243 CB THR A 34 14.728 18.312 7.574 1.00 15.59 C ATOM 244 OG1 THR A 34 15.486 19.521 7.664 1.00 16.71 O ATOM 245 CG2 THR A 34 14.507 18.098 6.077 1.00 18.08 C ATOM 0 H THR A 34 13.263 20.406 7.859 1.00 12.92 H new ATOM 0 HA THR A 34 12.789 17.757 8.063 1.00 15.72 H new ATOM 0 HB THR A 34 15.181 17.558 7.983 1.00 15.59 H new ATOM 0 HG1 THR A 34 16.064 19.445 8.268 1.00 16.71 H new ATOM 0 HG21 THR A 34 15.364 17.997 5.634 1.00 18.08 H new ATOM 0 HG22 THR A 34 13.977 17.298 5.939 1.00 18.08 H new ATOM 0 HG23 THR A 34 14.040 18.863 5.706 1.00 18.08 H new ATOM 246 N GLY A 35 13.305 19.426 10.528 1.00 19.40 N ATOM 247 CA GLY A 35 13.390 19.422 11.981 1.00 20.69 C ATOM 248 C GLY A 35 12.466 20.478 12.528 1.00 21.42 C ATOM 249 O GLY A 35 11.533 20.876 11.851 1.00 22.01 O ATOM 0 H GLY A 35 13.036 20.171 10.193 1.00 19.40 H new ATOM 0 HA2 GLY A 35 13.146 18.550 12.329 1.00 20.69 H new ATOM 0 HA3 GLY A 35 14.302 19.595 12.264 1.00 20.69 H new ATOM 250 N VAL A 36 12.730 20.920 13.759 1.00 22.60 N ATOM 251 CA VAL A 36 11.954 21.979 14.410 1.00 22.41 C ATOM 252 C VAL A 36 12.829 23.191 14.657 1.00 22.32 C ATOM 253 O VAL A 36 14.064 23.099 14.630 1.00 22.36 O ATOM 254 CB VAL A 36 11.342 21.514 15.775 1.00 22.91 C ATOM 255 CG1 VAL A 36 10.355 20.375 15.582 1.00 23.43 C ATOM 256 CG2 VAL A 36 12.424 21.105 16.758 1.00 23.16 C ATOM 0 H VAL A 36 13.370 20.611 14.244 1.00 22.60 H new ATOM 0 HA VAL A 36 11.225 22.202 13.810 1.00 22.41 H new ATOM 0 HB VAL A 36 10.865 22.274 16.144 1.00 22.91 H new ATOM 0 HG11 VAL A 36 9.994 20.110 16.442 1.00 23.43 H new ATOM 0 HG12 VAL A 36 9.632 20.667 15.005 1.00 23.43 H new ATOM 0 HG13 VAL A 36 10.808 19.620 15.175 1.00 23.43 H new ATOM 0 HG21 VAL A 36 12.015 20.823 17.591 1.00 23.16 H new ATOM 0 HG22 VAL A 36 12.939 20.372 16.386 1.00 23.16 H new ATOM 0 HG23 VAL A 36 13.011 21.859 16.926 1.00 23.16 H new ATOM 257 N GLY A 37 12.194 24.341 14.860 1.00 22.02 N ATOM 258 CA GLY A 37 12.867 25.517 15.373 1.00 22.32 C ATOM 259 C GLY A 37 13.733 26.281 14.396 1.00 22.75 C ATOM 260 O GLY A 37 14.484 27.168 14.811 1.00 23.73 O ATOM 0 H GLY A 37 11.357 24.457 14.702 1.00 22.02 H new ATOM 0 HA2 GLY A 37 12.195 26.124 15.721 1.00 22.32 H new ATOM 0 HA3 GLY A 37 13.421 25.247 16.122 1.00 22.32 H new ATOM 261 N LYS A 38 13.605 25.976 13.106 1.00 22.62 N ATOM 262 CA LYS A 38 14.466 26.577 12.084 1.00 22.58 C ATOM 263 C LYS A 38 13.807 27.665 11.214 1.00 20.90 C ATOM 264 O LYS A 38 14.514 28.386 10.502 1.00 22.08 O ATOM 265 CB LYS A 38 15.072 25.476 11.214 1.00 23.19 C ATOM 266 CG LYS A 38 15.982 24.543 12.015 1.00 25.92 C ATOM 267 CD LYS A 38 16.549 23.424 11.162 1.00 29.54 C ATOM 268 CE LYS A 38 16.208 22.022 11.704 1.00 31.21 C ATOM 269 NZ LYS A 38 16.105 21.041 10.585 1.00 30.28 N ATOM 0 H LYS A 38 13.024 25.421 12.799 1.00 22.62 H new ATOM 0 HA LYS A 38 15.158 27.051 12.572 1.00 22.58 H new ATOM 0 HB2 LYS A 38 14.360 24.959 10.806 1.00 23.19 H new ATOM 0 HB3 LYS A 38 15.579 25.879 10.492 1.00 23.19 H new ATOM 0 HG2 LYS A 38 16.710 25.056 12.399 1.00 25.92 H new ATOM 0 HG3 LYS A 38 15.482 24.163 12.754 1.00 25.92 H new ATOM 0 HD2 LYS A 38 16.207 23.508 10.258 1.00 29.54 H new ATOM 0 HD3 LYS A 38 17.513 23.520 11.111 1.00 29.54 H new ATOM 0 HE2 LYS A 38 16.891 21.736 12.330 1.00 31.21 H new ATOM 0 HE3 LYS A 38 15.371 22.053 12.193 1.00 31.21 H new ATOM 0 HZ1 LYS A 38 16.538 20.295 10.803 1.00 30.28 H new ATOM 0 HZ2 LYS A 38 15.249 20.853 10.433 1.00 30.28 H new ATOM 0 HZ3 LYS A 38 16.467 21.389 9.850 1.00 30.28 H new ATOM 270 N LEU A 39 12.479 27.791 11.258 1.00 17.63 N ATOM 271 CA LEU A 39 11.790 28.939 10.648 1.00 15.54 C ATOM 272 C LEU A 39 10.874 29.605 11.661 1.00 14.70 C ATOM 273 O LEU A 39 10.320 28.947 12.549 1.00 14.30 O ATOM 274 CB LEU A 39 10.932 28.498 9.451 1.00 14.97 C ATOM 275 CG LEU A 39 11.690 27.849 8.292 1.00 12.88 C ATOM 276 CD1 LEU A 39 10.740 27.060 7.410 1.00 12.82 C ATOM 277 CD2 LEU A 39 12.425 28.914 7.502 1.00 12.37 C ATOM 0 H LEU A 39 11.956 27.223 11.636 1.00 17.63 H new ATOM 0 HA LEU A 39 12.473 29.559 10.349 1.00 15.54 H new ATOM 0 HB2 LEU A 39 10.262 27.872 9.768 1.00 14.97 H new ATOM 0 HB3 LEU A 39 10.458 29.273 9.111 1.00 14.97 H new ATOM 0 HG LEU A 39 12.344 27.226 8.646 1.00 12.88 H new ATOM 0 HD11 LEU A 39 11.236 26.655 6.681 1.00 12.82 H new ATOM 0 HD12 LEU A 39 10.313 26.365 7.935 1.00 12.82 H new ATOM 0 HD13 LEU A 39 10.064 27.655 7.050 1.00 12.82 H new ATOM 0 HD21 LEU A 39 12.905 28.499 6.768 1.00 12.37 H new ATOM 0 HD22 LEU A 39 11.787 29.554 7.150 1.00 12.37 H new ATOM 0 HD23 LEU A 39 13.054 29.371 8.082 1.00 12.37 H new ATOM 278 N THR A 40 10.680 30.910 11.519 1.00 14.28 N ATOM 279 CA THR A 40 9.786 31.621 12.431 1.00 14.40 C ATOM 280 C THR A 40 8.342 31.239 12.138 1.00 14.27 C ATOM 281 O THR A 40 7.968 31.063 10.971 1.00 14.21 O ATOM 282 CB THR A 40 9.950 33.145 12.321 1.00 14.61 C ATOM 283 OG1 THR A 40 9.770 33.581 10.963 1.00 15.52 O ATOM 284 CG2 THR A 40 11.357 33.558 12.683 1.00 15.48 C ATOM 0 H THR A 40 11.048 31.397 10.913 1.00 14.28 H new ATOM 0 HA THR A 40 10.021 31.362 13.336 1.00 14.40 H new ATOM 0 HB THR A 40 9.292 33.535 12.917 1.00 14.61 H new ATOM 0 HG1 THR A 40 9.013 33.935 10.880 1.00 15.52 H new ATOM 0 HG21 THR A 40 11.441 34.521 12.608 1.00 15.48 H new ATOM 0 HG22 THR A 40 11.550 33.287 13.594 1.00 15.48 H new ATOM 0 HG23 THR A 40 11.985 33.131 12.080 1.00 15.48 H new ATOM 285 N PRO A 41 7.514 31.098 13.169 1.00 13.70 N ATOM 286 CA PRO A 41 6.080 30.860 12.944 1.00 13.52 C ATOM 287 C PRO A 41 5.424 31.933 12.084 1.00 13.31 C ATOM 288 O PRO A 41 5.779 33.117 12.183 1.00 14.07 O ATOM 289 CB PRO A 41 5.493 30.874 14.359 1.00 13.98 C ATOM 290 CG PRO A 41 6.617 30.483 15.216 1.00 13.72 C ATOM 291 CD PRO A 41 7.857 31.077 14.608 1.00 14.51 C ATOM 0 HA PRO A 41 5.928 30.033 12.460 1.00 13.52 H new ATOM 0 HB2 PRO A 41 5.156 31.753 14.595 1.00 13.98 H new ATOM 0 HB3 PRO A 41 4.751 30.254 14.442 1.00 13.98 H new ATOM 0 HG2 PRO A 41 6.488 30.808 16.121 1.00 13.72 H new ATOM 0 HG3 PRO A 41 6.689 29.517 15.269 1.00 13.72 H new ATOM 0 HD2 PRO A 41 8.040 31.966 14.951 1.00 14.51 H new ATOM 0 HD3 PRO A 41 8.643 30.537 14.786 1.00 14.51 H new ATOM 292 N GLY A 42 4.505 31.504 11.220 1.00 12.65 N ATOM 293 CA GLY A 42 3.753 32.396 10.358 1.00 12.35 C ATOM 294 C GLY A 42 3.958 32.090 8.885 1.00 11.81 C ATOM 295 O GLY A 42 4.446 31.022 8.540 1.00 11.31 O ATOM 0 H GLY A 42 4.302 30.674 11.121 1.00 12.65 H new ATOM 0 HA2 GLY A 42 2.809 32.328 10.571 1.00 12.35 H new ATOM 0 HA3 GLY A 42 4.018 33.312 10.535 1.00 12.35 H new ATOM 296 N PHE A 43 3.597 33.042 8.032 1.00 10.73 N ATOM 297 CA PHE A 43 3.608 32.841 6.583 1.00 10.16 C ATOM 298 C PHE A 43 4.907 33.357 5.972 1.00 10.29 C ATOM 299 O PHE A 43 5.352 34.466 6.288 1.00 10.69 O ATOM 300 CB PHE A 43 2.401 33.545 5.931 1.00 10.19 C ATOM 301 CG PHE A 43 1.097 32.858 6.203 1.00 10.58 C ATOM 302 CD1 PHE A 43 0.743 31.718 5.495 1.00 9.77 C ATOM 303 CD2 PHE A 43 0.240 33.316 7.191 1.00 11.85 C ATOM 304 CE1 PHE A 43 -0.442 31.062 5.756 1.00 11.73 C ATOM 305 CE2 PHE A 43 -0.949 32.653 7.453 1.00 14.23 C ATOM 306 CZ PHE A 43 -1.286 31.531 6.736 1.00 12.20 C ATOM 0 H PHE A 43 3.338 33.825 8.275 1.00 10.73 H new ATOM 0 HA PHE A 43 3.545 31.888 6.412 1.00 10.16 H new ATOM 0 HB2 PHE A 43 2.353 34.458 6.256 1.00 10.19 H new ATOM 0 HB3 PHE A 43 2.541 33.592 4.972 1.00 10.19 H new ATOM 0 HD1 PHE A 43 1.312 31.392 4.836 1.00 9.77 H new ATOM 0 HD2 PHE A 43 0.464 34.074 7.682 1.00 11.85 H new ATOM 0 HE1 PHE A 43 -0.670 30.303 5.270 1.00 11.73 H new ATOM 0 HE2 PHE A 43 -1.520 32.969 8.116 1.00 14.23 H new ATOM 0 HZ PHE A 43 -2.085 31.088 6.913 1.00 12.20 H new ATOM 307 N HIS A 44 5.481 32.561 5.067 1.00 9.61 N ATOM 308 CA HIS A 44 6.741 32.886 4.412 1.00 9.61 C ATOM 309 C HIS A 44 6.588 32.774 2.918 1.00 9.58 C ATOM 310 O HIS A 44 6.106 31.751 2.428 1.00 9.91 O ATOM 311 CB HIS A 44 7.839 31.908 4.863 1.00 9.94 C ATOM 312 CG HIS A 44 8.188 32.028 6.312 1.00 9.98 C ATOM 313 ND1 HIS A 44 9.313 32.696 6.749 1.00 11.38 N ATOM 314 CD2 HIS A 44 7.565 31.564 7.425 1.00 10.40 C ATOM 315 CE1 HIS A 44 9.365 32.634 8.071 1.00 12.05 C ATOM 316 NE2 HIS A 44 8.327 31.939 8.503 1.00 11.31 N ATOM 0 H HIS A 44 5.143 31.811 4.817 1.00 9.61 H new ATOM 0 HA HIS A 44 6.986 33.793 4.654 1.00 9.61 H new ATOM 0 HB2 HIS A 44 7.548 31.001 4.682 1.00 9.94 H new ATOM 0 HB3 HIS A 44 8.636 32.061 4.332 1.00 9.94 H new ATOM 0 HD2 HIS A 44 6.770 31.082 7.452 1.00 10.40 H new ATOM 0 HE1 HIS A 44 10.023 33.016 8.606 1.00 12.05 H new ATOM 0 HE2 HIS A 44 8.157 31.752 9.325 1.00 11.31 H new ATOM 317 N GLY A 45 7.011 33.801 2.197 1.00 8.29 N ATOM 318 CA GLY A 45 7.084 33.769 0.750 1.00 8.87 C ATOM 319 C GLY A 45 7.974 32.635 0.297 1.00 8.33 C ATOM 320 O GLY A 45 8.993 32.313 0.925 1.00 9.14 O ATOM 0 H GLY A 45 7.267 34.546 2.541 1.00 8.29 H new ATOM 0 HA2 GLY A 45 6.195 33.660 0.377 1.00 8.87 H new ATOM 0 HA3 GLY A 45 7.430 34.612 0.418 1.00 8.87 H new ATOM 321 N LEU A 46 7.568 32.021 -0.802 1.00 8.46 N ATOM 322 CA LEU A 46 8.254 30.880 -1.353 1.00 8.98 C ATOM 323 C LEU A 46 8.281 31.035 -2.859 1.00 9.29 C ATOM 324 O LEU A 46 7.216 31.064 -3.496 1.00 8.67 O ATOM 325 CB LEU A 46 7.495 29.608 -0.961 1.00 8.89 C ATOM 326 CG LEU A 46 8.088 28.276 -1.446 1.00 8.47 C ATOM 327 CD1 LEU A 46 9.336 27.974 -0.676 1.00 9.06 C ATOM 328 CD2 LEU A 46 7.120 27.117 -1.278 1.00 7.86 C ATOM 0 H LEU A 46 6.876 32.263 -1.252 1.00 8.46 H new ATOM 0 HA LEU A 46 9.161 30.819 -1.014 1.00 8.98 H new ATOM 0 HB2 LEU A 46 7.433 29.578 0.007 1.00 8.89 H new ATOM 0 HB3 LEU A 46 6.589 29.678 -1.301 1.00 8.89 H new ATOM 0 HG LEU A 46 8.279 28.374 -2.392 1.00 8.47 H new ATOM 0 HD11 LEU A 46 9.710 27.133 -0.982 1.00 9.06 H new ATOM 0 HD12 LEU A 46 9.982 28.684 -0.815 1.00 9.06 H new ATOM 0 HD13 LEU A 46 9.126 27.909 0.269 1.00 9.06 H new ATOM 0 HD21 LEU A 46 7.535 26.300 -1.596 1.00 7.86 H new ATOM 0 HD22 LEU A 46 6.891 27.019 -0.340 1.00 7.86 H new ATOM 0 HD23 LEU A 46 6.315 27.291 -1.790 1.00 7.86 H new ATOM 329 N HIS A 47 9.474 31.168 -3.431 1.00 9.43 N ATOM 330 CA HIS A 47 9.618 31.313 -4.881 1.00 10.29 C ATOM 331 C HIS A 47 10.832 30.570 -5.412 1.00 10.18 C ATOM 332 O HIS A 47 11.822 30.365 -4.710 1.00 9.32 O ATOM 333 CB HIS A 47 9.784 32.769 -5.323 1.00 12.18 C ATOM 334 CG HIS A 47 9.012 33.753 -4.506 1.00 12.50 C ATOM 335 ND1 HIS A 47 9.608 34.588 -3.594 1.00 16.33 N ATOM 336 CD2 HIS A 47 7.691 34.052 -4.493 1.00 14.44 C ATOM 337 CE1 HIS A 47 8.678 35.352 -3.036 1.00 18.29 C ATOM 338 NE2 HIS A 47 7.506 35.047 -3.564 1.00 15.30 N ATOM 0 H HIS A 47 10.217 31.177 -2.997 1.00 9.43 H new ATOM 0 HA HIS A 47 8.795 30.944 -5.239 1.00 10.29 H new ATOM 0 HB2 HIS A 47 10.725 33.002 -5.286 1.00 12.18 H new ATOM 0 HB3 HIS A 47 9.509 32.848 -6.250 1.00 12.18 H new ATOM 0 HD2 HIS A 47 7.031 33.657 -5.016 1.00 14.44 H new ATOM 0 HE1 HIS A 47 8.826 35.996 -2.381 1.00 18.29 H new ATOM 0 HE2 HIS A 47 6.754 35.410 -3.360 1.00 15.30 H new ATOM 339 N ILE A 48 10.740 30.218 -6.689 1.00 9.18 N ATOM 340 CA ILE A 48 11.883 29.776 -7.462 1.00 10.03 C ATOM 341 C ILE A 48 12.581 30.997 -8.057 1.00 9.60 C ATOM 342 O ILE A 48 11.929 31.861 -8.652 1.00 10.69 O ATOM 343 CB ILE A 48 11.435 28.798 -8.549 1.00 9.90 C ATOM 344 CG1 ILE A 48 10.789 27.570 -7.886 1.00 11.31 C ATOM 345 CG2 ILE A 48 12.631 28.392 -9.418 1.00 9.91 C ATOM 346 CD1 ILE A 48 10.076 26.633 -8.839 1.00 13.36 C ATOM 0 H ILE A 48 10.003 30.231 -7.132 1.00 9.18 H new ATOM 0 HA ILE A 48 12.512 29.308 -6.891 1.00 10.03 H new ATOM 0 HB ILE A 48 10.781 29.223 -9.125 1.00 9.90 H new ATOM 0 HG12 ILE A 48 11.477 27.072 -7.418 1.00 11.31 H new ATOM 0 HG13 ILE A 48 10.155 27.875 -7.218 1.00 11.31 H new ATOM 0 HG21 ILE A 48 12.337 27.772 -10.104 1.00 9.91 H new ATOM 0 HG22 ILE A 48 13.010 29.181 -9.836 1.00 9.91 H new ATOM 0 HG23 ILE A 48 13.304 27.966 -8.864 1.00 9.91 H new ATOM 0 HD11 ILE A 48 9.700 25.890 -8.342 1.00 13.36 H new ATOM 0 HD12 ILE A 48 9.364 27.112 -9.292 1.00 13.36 H new ATOM 0 HD13 ILE A 48 10.707 26.296 -9.494 1.00 13.36 H new ATOM 347 N HIS A 49 13.897 31.082 -7.833 1.00 9.22 N ATOM 348 CA HIS A 49 14.734 32.172 -8.312 1.00 10.66 C ATOM 349 C HIS A 49 15.588 31.692 -9.491 1.00 10.92 C ATOM 350 O HIS A 49 15.743 30.503 -9.703 1.00 11.76 O ATOM 351 CB HIS A 49 15.582 32.719 -7.180 1.00 10.96 C ATOM 352 CG HIS A 49 14.808 33.537 -6.199 1.00 10.76 C ATOM 353 ND1 HIS A 49 14.980 34.902 -6.057 1.00 11.67 N ATOM 354 CD2 HIS A 49 13.836 33.185 -5.325 1.00 12.84 C ATOM 355 CE1 HIS A 49 14.146 35.348 -5.129 1.00 12.90 C ATOM 356 NE2 HIS A 49 13.432 34.331 -4.680 1.00 15.51 N ATOM 0 H HIS A 49 14.332 30.490 -7.387 1.00 9.22 H new ATOM 0 HA HIS A 49 14.174 32.898 -8.629 1.00 10.66 H new ATOM 0 HB2 HIS A 49 16.002 31.980 -6.714 1.00 10.96 H new ATOM 0 HB3 HIS A 49 16.295 33.262 -7.552 1.00 10.96 H new ATOM 0 HD1 HIS A 49 15.538 35.384 -6.500 1.00 11.67 H new ATOM 0 HD2 HIS A 49 13.503 32.328 -5.186 1.00 12.84 H new ATOM 0 HE1 HIS A 49 14.075 36.230 -4.842 1.00 12.90 H new ATOM 357 N GLN A 50 16.155 32.644 -10.235 1.00 12.27 N ATOM 358 CA GLN A 50 16.633 32.418 -11.590 1.00 12.70 C ATOM 359 C GLN A 50 18.070 31.910 -11.770 1.00 12.37 C ATOM 360 O GLN A 50 18.504 31.658 -12.915 1.00 12.76 O ATOM 361 CB GLN A 50 16.439 33.712 -12.390 1.00 13.63 C ATOM 362 CG GLN A 50 17.360 34.844 -12.011 1.00 16.69 C ATOM 363 CD GLN A 50 16.870 36.191 -12.536 1.00 19.84 C ATOM 364 OE1 GLN A 50 15.971 36.247 -13.385 1.00 25.71 O ATOM 365 NE2 GLN A 50 17.459 37.271 -12.037 1.00 19.66 N ATOM 0 H GLN A 50 16.272 33.450 -9.958 1.00 12.27 H new ATOM 0 HA GLN A 50 16.099 31.676 -11.915 1.00 12.70 H new ATOM 0 HB2 GLN A 50 16.562 33.515 -13.332 1.00 13.63 H new ATOM 0 HB3 GLN A 50 15.522 34.009 -12.280 1.00 13.63 H new ATOM 0 HG2 GLN A 50 17.438 34.885 -11.045 1.00 16.69 H new ATOM 0 HG3 GLN A 50 18.247 34.667 -12.360 1.00 16.69 H new ATOM 0 HE21 GLN A 50 18.080 37.189 -11.448 1.00 19.66 H new ATOM 0 HE22 GLN A 50 17.219 38.053 -12.303 1.00 19.66 H new ATOM 366 N VAL A 51 18.823 31.787 -10.679 1.00 11.64 N ATOM 367 CA VAL A 51 20.191 31.259 -10.735 1.00 10.90 C ATOM 368 C VAL A 51 20.365 30.177 -9.667 1.00 10.52 C ATOM 369 O VAL A 51 20.009 30.377 -8.502 1.00 9.72 O ATOM 370 CB VAL A 51 21.251 32.354 -10.502 1.00 11.07 C ATOM 371 CG1 VAL A 51 22.647 31.790 -10.704 1.00 12.00 C ATOM 372 CG2 VAL A 51 21.029 33.548 -11.406 1.00 12.09 C ATOM 0 H VAL A 51 18.560 32.005 -9.890 1.00 11.64 H new ATOM 0 HA VAL A 51 20.322 30.895 -11.625 1.00 10.90 H new ATOM 0 HB VAL A 51 21.163 32.659 -9.585 1.00 11.07 H new ATOM 0 HG11 VAL A 51 23.303 32.489 -10.555 1.00 12.00 H new ATOM 0 HG12 VAL A 51 22.798 31.066 -10.076 1.00 12.00 H new ATOM 0 HG13 VAL A 51 22.733 31.455 -11.610 1.00 12.00 H new ATOM 0 HG21 VAL A 51 21.711 34.216 -11.234 1.00 12.09 H new ATOM 0 HG22 VAL A 51 21.080 33.266 -12.333 1.00 12.09 H new ATOM 0 HG23 VAL A 51 20.154 33.928 -11.231 1.00 12.09 H new ATOM 373 N GLY A 52 20.924 29.035 -10.070 1.00 10.70 N ATOM 374 CA GLY A 52 21.093 27.894 -9.195 1.00 10.76 C ATOM 375 C GLY A 52 22.333 27.980 -8.318 1.00 11.07 C ATOM 376 O GLY A 52 23.284 27.185 -8.443 1.00 11.39 O ATOM 0 H GLY A 52 21.216 28.907 -10.869 1.00 10.70 H new ATOM 0 HA2 GLY A 52 20.310 27.811 -8.628 1.00 10.76 H new ATOM 0 HA3 GLY A 52 21.141 27.088 -9.732 1.00 10.76 H new ATOM 377 N LYS A 53 22.317 28.955 -7.423 1.00 10.82 N ATOM 378 CA LYS A 53 23.383 29.175 -6.458 1.00 11.34 C ATOM 379 C LYS A 53 22.765 29.507 -5.102 1.00 10.92 C ATOM 380 O LYS A 53 21.818 30.295 -5.022 1.00 11.40 O ATOM 381 CB LYS A 53 24.245 30.346 -6.868 1.00 11.66 C ATOM 382 CG LYS A 53 25.093 30.181 -8.108 1.00 14.03 C ATOM 383 CD LYS A 53 25.774 31.510 -8.390 1.00 18.37 C ATOM 384 CE LYS A 53 26.614 31.497 -9.676 1.00 21.71 C ATOM 385 NZ LYS A 53 27.013 32.889 -10.050 1.00 24.17 N ATOM 0 H LYS A 53 21.672 29.520 -7.357 1.00 10.82 H new ATOM 0 HA LYS A 53 23.925 28.371 -6.413 1.00 11.34 H new ATOM 0 HB2 LYS A 53 23.666 31.113 -7.000 1.00 11.66 H new ATOM 0 HB3 LYS A 53 24.834 30.559 -6.127 1.00 11.66 H new ATOM 0 HG2 LYS A 53 25.753 29.482 -7.977 1.00 14.03 H new ATOM 0 HG3 LYS A 53 24.544 29.915 -8.862 1.00 14.03 H new ATOM 0 HD2 LYS A 53 25.100 32.204 -8.458 1.00 18.37 H new ATOM 0 HD3 LYS A 53 26.344 31.740 -7.640 1.00 18.37 H new ATOM 0 HE2 LYS A 53 27.405 30.951 -9.547 1.00 21.71 H new ATOM 0 HE3 LYS A 53 26.106 31.095 -10.398 1.00 21.71 H new ATOM 0 HZ1 LYS A 53 27.304 32.899 -10.891 1.00 24.17 H new ATOM 0 HZ2 LYS A 53 26.311 33.430 -9.973 1.00 24.17 H new ATOM 0 HZ3 LYS A 53 27.662 33.167 -9.509 1.00 24.17 H new ATOM 386 N CYS A 54 23.319 28.921 -4.040 1.00 10.74 N ATOM 387 CA CYS A 54 22.865 29.185 -2.672 1.00 11.03 C ATOM 388 C CYS A 54 24.064 29.577 -1.810 1.00 10.98 C ATOM 389 O CYS A 54 24.591 28.777 -1.050 1.00 12.51 O ATOM 390 CB CYS A 54 22.170 27.956 -2.102 1.00 11.40 C ATOM 391 SG CYS A 54 20.516 27.717 -2.811 1.00 12.69 S ATOM 0 H CYS A 54 23.968 28.359 -4.092 1.00 10.74 H new ATOM 0 HA CYS A 54 22.227 29.916 -2.677 1.00 11.03 H new ATOM 0 HB2 CYS A 54 22.712 27.170 -2.275 1.00 11.40 H new ATOM 0 HB3 CYS A 54 22.098 28.044 -1.139 1.00 11.40 H new ATOM 392 N GLU A 55 24.479 30.830 -1.962 1.00 10.63 N ATOM 393 CA GLU A 55 25.680 31.363 -1.323 1.00 11.37 C ATOM 394 C GLU A 55 25.268 32.425 -0.308 1.00 11.40 C ATOM 395 O GLU A 55 24.670 33.430 -0.676 1.00 10.71 O ATOM 396 CB GLU A 55 26.579 31.993 -2.380 1.00 11.82 C ATOM 397 CG GLU A 55 27.092 31.002 -3.431 1.00 13.88 C ATOM 398 CD GLU A 55 27.670 31.645 -4.689 1.00 16.03 C ATOM 399 OE1 GLU A 55 28.519 30.982 -5.327 1.00 21.26 O ATOM 400 OE2 GLU A 55 27.298 32.767 -5.078 1.00 16.84 O ATOM 0 H GLU A 55 24.064 31.406 -2.448 1.00 10.63 H new ATOM 0 HA GLU A 55 26.161 30.649 -0.877 1.00 11.37 H new ATOM 0 HB2 GLU A 55 26.090 32.701 -2.828 1.00 11.82 H new ATOM 0 HB3 GLU A 55 27.338 32.407 -1.941 1.00 11.82 H new ATOM 0 HG2 GLU A 55 27.774 30.444 -3.025 1.00 13.88 H new ATOM 0 HG3 GLU A 55 26.363 30.416 -3.688 1.00 13.88 H new ATOM 401 N PRO A 56 25.550 32.193 0.971 1.00 11.63 N ATOM 402 CA PRO A 56 25.401 33.253 1.986 1.00 12.58 C ATOM 403 C PRO A 56 26.299 34.452 1.643 1.00 12.22 C ATOM 404 O PRO A 56 27.323 34.264 0.993 1.00 13.07 O ATOM 405 CB PRO A 56 25.841 32.572 3.291 1.00 13.01 C ATOM 406 CG PRO A 56 25.762 31.074 3.005 1.00 13.71 C ATOM 407 CD PRO A 56 25.996 30.903 1.543 1.00 11.88 C ATOM 0 HA PRO A 56 24.500 33.607 2.043 1.00 12.58 H new ATOM 0 HB2 PRO A 56 26.742 32.835 3.537 1.00 13.01 H new ATOM 0 HB3 PRO A 56 25.261 32.819 4.028 1.00 13.01 H new ATOM 0 HG2 PRO A 56 26.427 30.590 3.519 1.00 13.71 H new ATOM 0 HG3 PRO A 56 24.895 30.720 3.259 1.00 13.71 H new ATOM 0 HD2 PRO A 56 26.930 30.729 1.348 1.00 11.88 H new ATOM 0 HD3 PRO A 56 25.488 30.158 1.184 1.00 11.88 H new ATOM 408 N ASN A 57 25.917 35.649 2.079 1.00 13.33 N ATOM 409 CA ASN A 57 26.676 36.889 1.849 1.00 14.33 C ATOM 410 C ASN A 57 27.237 37.024 0.434 1.00 13.91 C ATOM 411 O ASN A 57 28.450 37.143 0.215 1.00 14.38 O ATOM 412 CB ASN A 57 27.761 37.100 2.902 1.00 15.98 C ATOM 413 CG ASN A 57 28.073 38.592 3.107 1.00 18.78 C ATOM 414 OD1 ASN A 57 29.213 39.012 2.969 1.00 26.92 O ATOM 415 ND2 ASN A 57 27.037 39.392 3.399 1.00 21.20 N ATOM 0 H ASN A 57 25.194 35.771 2.528 1.00 13.33 H new ATOM 0 HA ASN A 57 26.025 37.602 1.942 1.00 14.33 H new ATOM 0 HB2 ASN A 57 27.476 36.710 3.743 1.00 15.98 H new ATOM 0 HB3 ASN A 57 28.568 36.634 2.633 1.00 15.98 H new ATOM 0 HD21 ASN A 57 27.161 40.237 3.497 1.00 21.20 H new ATOM 0 HD22 ASN A 57 26.249 39.060 3.488 1.00 21.20 H new ATOM 416 N SER A 58 26.325 36.975 -0.536 1.00 12.22 N ATOM 417 CA SER A 58 26.653 37.029 -1.948 1.00 12.07 C ATOM 418 C SER A 58 26.013 38.252 -2.603 1.00 12.03 C ATOM 419 O SER A 58 25.143 38.895 -2.028 1.00 11.81 O ATOM 420 CB SER A 58 26.184 35.760 -2.672 1.00 12.21 C ATOM 421 OG SER A 58 24.807 35.524 -2.459 1.00 11.51 O ATOM 0 H SER A 58 25.482 36.908 -0.382 1.00 12.22 H new ATOM 0 HA SER A 58 27.618 37.094 -2.022 1.00 12.07 H new ATOM 0 HB2 SER A 58 26.356 35.846 -3.623 1.00 12.21 H new ATOM 0 HB3 SER A 58 26.697 34.999 -2.359 1.00 12.21 H new ATOM 0 HG SER A 58 24.712 34.888 -1.919 1.00 11.51 H new ATOM 422 N VAL A 59 26.467 38.570 -3.807 1.00 13.47 N ATOM 423 CA VAL A 59 25.996 39.746 -4.534 1.00 14.03 C ATOM 424 C VAL A 59 25.078 39.339 -5.683 1.00 13.89 C ATOM 425 O VAL A 59 25.301 38.307 -6.346 1.00 13.63 O ATOM 426 CB VAL A 59 27.201 40.556 -5.032 1.00 14.80 C ATOM 427 CG1 VAL A 59 26.774 41.787 -5.847 1.00 15.72 C ATOM 428 CG2 VAL A 59 28.072 40.959 -3.826 1.00 16.50 C ATOM 0 H VAL A 59 27.059 38.110 -4.229 1.00 13.47 H new ATOM 0 HA VAL A 59 25.475 40.306 -3.937 1.00 14.03 H new ATOM 0 HB VAL A 59 27.720 39.999 -5.633 1.00 14.80 H new ATOM 0 HG11 VAL A 59 27.562 42.269 -6.142 1.00 15.72 H new ATOM 0 HG12 VAL A 59 26.262 41.502 -6.620 1.00 15.72 H new ATOM 0 HG13 VAL A 59 26.228 42.368 -5.294 1.00 15.72 H new ATOM 0 HG21 VAL A 59 28.836 41.471 -4.135 1.00 16.50 H new ATOM 0 HG22 VAL A 59 27.548 41.498 -3.214 1.00 16.50 H new ATOM 0 HG23 VAL A 59 28.382 40.161 -3.369 1.00 16.50 H new ATOM 429 N ALA A 60 24.045 40.151 -5.913 1.00 13.50 N ATOM 430 CA ALA A 60 23.098 39.931 -7.005 1.00 14.20 C ATOM 431 C ALA A 60 23.810 40.130 -8.337 1.00 15.37 C ATOM 432 O ALA A 60 24.775 40.882 -8.408 1.00 15.00 O ATOM 433 CB ALA A 60 21.945 40.895 -6.903 1.00 14.09 C ATOM 0 H ALA A 60 23.874 40.847 -5.438 1.00 13.50 H new ATOM 0 HA ALA A 60 22.754 39.026 -6.946 1.00 14.20 H new ATOM 0 HB1 ALA A 60 21.326 40.738 -7.633 1.00 14.09 H new ATOM 0 HB2 ALA A 60 21.488 40.764 -6.058 1.00 14.09 H new ATOM 0 HB3 ALA A 60 22.278 41.805 -6.953 1.00 14.09 H new ATOM 434 N PRO A 61 23.354 39.451 -9.388 1.00 16.92 N ATOM 435 CA PRO A 61 23.953 39.596 -10.725 1.00 17.85 C ATOM 436 C PRO A 61 24.152 41.036 -11.216 1.00 18.25 C ATOM 437 O PRO A 61 25.173 41.283 -11.856 1.00 19.01 O ATOM 438 CB PRO A 61 22.962 38.848 -11.630 1.00 18.35 C ATOM 439 CG PRO A 61 22.328 37.814 -10.727 1.00 18.50 C ATOM 440 CD PRO A 61 22.277 38.439 -9.364 1.00 17.37 C ATOM 0 HA PRO A 61 24.859 39.249 -10.724 1.00 17.85 H new ATOM 0 HB2 PRO A 61 22.297 39.450 -11.998 1.00 18.35 H new ATOM 0 HB3 PRO A 61 23.414 38.432 -12.380 1.00 18.35 H new ATOM 0 HG2 PRO A 61 21.439 37.580 -11.036 1.00 18.50 H new ATOM 0 HG3 PRO A 61 22.849 36.996 -10.715 1.00 18.50 H new ATOM 0 HD2 PRO A 61 21.413 38.845 -9.193 1.00 17.37 H new ATOM 0 HD3 PRO A 61 22.425 37.781 -8.667 1.00 17.37 H new ATOM 441 N THR A 62 23.230 41.947 -10.928 1.00 19.22 N ATOM 442 CA THR A 62 23.337 43.330 -11.402 1.00 20.20 C ATOM 443 C THR A 62 23.850 44.293 -10.330 1.00 19.24 C ATOM 444 O THR A 62 23.865 45.501 -10.534 1.00 20.12 O ATOM 445 CB THR A 62 21.992 43.858 -11.982 1.00 21.06 C ATOM 446 OG1 THR A 62 21.003 43.967 -10.950 1.00 23.70 O ATOM 447 CG2 THR A 62 21.385 42.885 -13.003 1.00 23.06 C ATOM 0 H THR A 62 22.529 41.787 -10.457 1.00 19.22 H new ATOM 0 HA THR A 62 23.995 43.302 -12.115 1.00 20.20 H new ATOM 0 HB THR A 62 22.203 44.713 -12.389 1.00 21.06 H new ATOM 0 HG1 THR A 62 20.785 43.199 -10.688 1.00 23.70 H new ATOM 0 HG21 THR A 62 20.551 43.248 -13.340 1.00 23.06 H new ATOM 0 HG22 THR A 62 22.004 42.760 -13.739 1.00 23.06 H new ATOM 0 HG23 THR A 62 21.216 42.031 -12.575 1.00 23.06 H new ATOM 448 N GLY A 63 24.276 43.758 -9.196 1.00 17.49 N ATOM 449 CA GLY A 63 24.988 44.542 -8.210 1.00 16.12 C ATOM 450 C GLY A 63 24.169 44.780 -6.959 1.00 14.63 C ATOM 451 O GLY A 63 22.952 44.565 -6.917 1.00 16.41 O ATOM 0 H GLY A 63 24.160 42.934 -8.980 1.00 17.49 H new ATOM 0 HA2 GLY A 63 25.811 44.088 -7.973 1.00 16.12 H new ATOM 0 HA3 GLY A 63 25.237 45.396 -8.598 1.00 16.12 H new ATOM 452 N GLY A 64 24.864 45.266 -5.944 1.00 13.26 N ATOM 453 CA GLY A 64 24.268 45.629 -4.669 1.00 11.53 C ATOM 454 C GLY A 64 25.155 45.199 -3.515 1.00 10.72 C ATOM 455 O GLY A 64 26.163 44.523 -3.709 1.00 11.70 O ATOM 0 H GLY A 64 25.713 45.397 -5.977 1.00 13.26 H new ATOM 0 HA2 GLY A 64 24.128 46.588 -4.634 1.00 11.53 H new ATOM 0 HA3 GLY A 64 23.396 45.212 -4.585 1.00 11.53 H new ATOM 456 N ALA A 65 24.780 45.599 -2.300 1.00 9.98 N ATOM 457 CA ALA A 65 25.470 45.126 -1.104 1.00 10.24 C ATOM 458 C ALA A 65 25.262 43.611 -0.980 1.00 10.60 C ATOM 459 O ALA A 65 24.224 43.087 -1.396 1.00 9.77 O ATOM 460 CB ALA A 65 24.940 45.828 0.147 1.00 9.84 C ATOM 0 H ALA A 65 24.131 46.142 -2.149 1.00 9.98 H new ATOM 0 HA ALA A 65 26.415 45.328 -1.183 1.00 10.24 H new ATOM 0 HB1 ALA A 65 25.412 45.499 0.928 1.00 9.84 H new ATOM 0 HB2 ALA A 65 25.079 46.784 0.065 1.00 9.84 H new ATOM 0 HB3 ALA A 65 23.992 45.647 0.243 1.00 9.84 H new ATOM 461 N PRO A 66 26.242 42.907 -0.428 1.00 11.21 N ATOM 462 CA PRO A 66 26.099 41.465 -0.234 1.00 11.28 C ATOM 463 C PRO A 66 25.019 41.143 0.790 1.00 10.90 C ATOM 464 O PRO A 66 24.708 41.925 1.687 1.00 11.96 O ATOM 465 CB PRO A 66 27.477 41.014 0.257 1.00 12.19 C ATOM 466 CG PRO A 66 28.160 42.275 0.723 1.00 13.55 C ATOM 467 CD PRO A 66 27.525 43.429 0.067 1.00 11.73 C ATOM 0 HA PRO A 66 25.826 41.011 -1.047 1.00 11.28 H new ATOM 0 HB2 PRO A 66 27.399 40.370 0.978 1.00 12.19 H new ATOM 0 HB3 PRO A 66 27.979 40.585 -0.453 1.00 12.19 H new ATOM 0 HG2 PRO A 66 28.092 42.357 1.687 1.00 13.55 H new ATOM 0 HG3 PRO A 66 29.105 42.244 0.507 1.00 13.55 H new ATOM 0 HD2 PRO A 66 27.393 44.161 0.689 1.00 11.73 H new ATOM 0 HD3 PRO A 66 28.072 43.769 -0.658 1.00 11.73 H new ATOM 468 N GLY A 67 24.406 39.981 0.619 1.00 10.46 N ATOM 469 CA GLY A 67 23.344 39.507 1.479 1.00 10.04 C ATOM 470 C GLY A 67 23.093 38.037 1.225 1.00 9.86 C ATOM 471 O GLY A 67 23.613 37.471 0.277 1.00 10.86 O ATOM 0 H GLY A 67 24.603 39.436 -0.016 1.00 10.46 H new ATOM 0 HA2 GLY A 67 23.583 39.646 2.409 1.00 10.04 H new ATOM 0 HA3 GLY A 67 22.534 40.015 1.315 1.00 10.04 H new ATOM 472 N ASN A 68 22.288 37.408 2.064 1.00 9.37 N ATOM 473 CA ASN A 68 22.123 35.972 1.945 1.00 9.15 C ATOM 474 C ASN A 68 21.369 35.567 0.698 1.00 8.46 C ATOM 475 O ASN A 68 20.267 36.026 0.438 1.00 9.78 O ATOM 476 CB ASN A 68 21.509 35.386 3.194 1.00 9.35 C ATOM 477 CG ASN A 68 22.435 35.478 4.372 1.00 10.36 C ATOM 478 OD1 ASN A 68 23.647 35.245 4.249 1.00 12.56 O ATOM 479 ND2 ASN A 68 21.874 35.800 5.532 1.00 12.24 N ATOM 0 H ASN A 68 21.838 37.782 2.694 1.00 9.37 H new ATOM 0 HA ASN A 68 23.012 35.596 1.850 1.00 9.15 H new ATOM 0 HB2 ASN A 68 20.682 35.852 3.396 1.00 9.35 H new ATOM 0 HB3 ASN A 68 21.280 34.457 3.036 1.00 9.35 H new ATOM 0 HD21 ASN A 68 22.356 35.855 6.242 1.00 12.24 H new ATOM 0 HD22 ASN A 68 21.029 35.954 5.573 1.00 12.24 H new ATOM 480 N PHE A 69 22.019 34.704 -0.073 1.00 8.75 N ATOM 481 CA PHE A 69 21.459 34.050 -1.243 1.00 8.23 C ATOM 482 C PHE A 69 21.088 35.018 -2.364 1.00 8.38 C ATOM 483 O PHE A 69 20.264 34.710 -3.219 1.00 9.51 O ATOM 484 CB PHE A 69 20.272 33.165 -0.831 1.00 8.00 C ATOM 485 CG PHE A 69 20.573 32.231 0.325 1.00 8.12 C ATOM 486 CD1 PHE A 69 21.630 31.348 0.263 1.00 8.37 C ATOM 487 CD2 PHE A 69 19.785 32.240 1.469 1.00 7.63 C ATOM 488 CE1 PHE A 69 21.888 30.485 1.305 1.00 9.17 C ATOM 489 CE2 PHE A 69 20.038 31.366 2.530 1.00 8.78 C ATOM 490 CZ PHE A 69 21.074 30.478 2.443 1.00 9.08 C ATOM 0 H PHE A 69 22.834 34.475 0.080 1.00 8.75 H new ATOM 0 HA PHE A 69 22.155 33.488 -1.618 1.00 8.23 H new ATOM 0 HB2 PHE A 69 19.525 33.734 -0.589 1.00 8.00 H new ATOM 0 HB3 PHE A 69 19.992 32.638 -1.596 1.00 8.00 H new ATOM 0 HD1 PHE A 69 22.175 31.335 -0.491 1.00 8.37 H new ATOM 0 HD2 PHE A 69 19.076 32.839 1.530 1.00 7.63 H new ATOM 0 HE1 PHE A 69 22.610 29.901 1.252 1.00 9.17 H new ATOM 0 HE2 PHE A 69 19.504 31.388 3.291 1.00 8.78 H new ATOM 0 HZ PHE A 69 21.236 29.876 3.133 1.00 9.08 H new ATOM 491 N LEU A 70 21.714 36.193 -2.386 1.00 8.83 N ATOM 492 CA LEU A 70 21.414 37.164 -3.443 1.00 9.12 C ATOM 493 C LEU A 70 21.945 36.764 -4.808 1.00 9.18 C ATOM 494 O LEU A 70 21.411 37.193 -5.817 1.00 9.41 O ATOM 495 CB LEU A 70 21.888 38.566 -3.036 1.00 9.44 C ATOM 496 CG LEU A 70 21.187 39.140 -1.800 1.00 10.85 C ATOM 497 CD1 LEU A 70 21.679 40.577 -1.537 1.00 12.73 C ATOM 498 CD2 LEU A 70 19.681 39.135 -1.933 1.00 13.90 C ATOM 0 H LEU A 70 22.303 36.446 -1.813 1.00 8.83 H new ATOM 0 HA LEU A 70 20.449 37.178 -3.540 1.00 9.12 H new ATOM 0 HB2 LEU A 70 22.843 38.536 -2.868 1.00 9.44 H new ATOM 0 HB3 LEU A 70 21.750 39.171 -3.782 1.00 9.44 H new ATOM 0 HG LEU A 70 21.414 38.567 -1.051 1.00 10.85 H new ATOM 0 HD11 LEU A 70 21.232 40.934 -0.754 1.00 12.73 H new ATOM 0 HD12 LEU A 70 22.637 40.569 -1.386 1.00 12.73 H new ATOM 0 HD13 LEU A 70 21.478 41.134 -2.306 1.00 12.73 H new ATOM 0 HD21 LEU A 70 19.284 39.506 -1.130 1.00 13.90 H new ATOM 0 HD22 LEU A 70 19.422 39.671 -2.699 1.00 13.90 H new ATOM 0 HD23 LEU A 70 19.370 38.225 -2.056 1.00 13.90 H new ATOM 499 N SER A 71 22.972 35.921 -4.874 1.00 9.36 N ATOM 500 CA SER A 71 23.473 35.457 -6.165 1.00 10.03 C ATOM 501 C SER A 71 22.500 34.513 -6.881 1.00 10.28 C ATOM 502 O SER A 71 22.716 34.188 -8.045 1.00 11.95 O ATOM 503 CB SER A 71 24.868 34.829 -6.024 1.00 10.36 C ATOM 504 OG SER A 71 24.879 33.661 -5.239 1.00 10.13 O ATOM 0 H SER A 71 23.389 35.608 -4.190 1.00 9.36 H new ATOM 0 HA SER A 71 23.550 36.242 -6.730 1.00 10.03 H new ATOM 0 HB2 SER A 71 25.212 34.621 -6.907 1.00 10.36 H new ATOM 0 HB3 SER A 71 25.470 35.480 -5.631 1.00 10.36 H new ATOM 0 HG SER A 71 25.627 33.284 -5.307 1.00 10.13 H new ATOM 505 N ALA A 72 21.431 34.076 -6.192 1.00 10.33 N ATOM 506 CA ALA A 72 20.336 33.329 -6.842 1.00 10.06 C ATOM 507 C ALA A 72 19.491 34.223 -7.753 1.00 10.09 C ATOM 508 O ALA A 72 18.642 33.749 -8.501 1.00 9.48 O ATOM 509 CB ALA A 72 19.459 32.664 -5.795 1.00 10.89 C ATOM 0 H ALA A 72 21.321 34.202 -5.348 1.00 10.33 H new ATOM 0 HA ALA A 72 20.741 32.647 -7.401 1.00 10.06 H new ATOM 0 HB1 ALA A 72 18.744 32.177 -6.234 1.00 10.89 H new ATOM 0 HB2 ALA A 72 19.993 32.049 -5.268 1.00 10.89 H new ATOM 0 HB3 ALA A 72 19.079 33.341 -5.213 1.00 10.89 H new ATOM 510 N GLY A 73 19.727 35.524 -7.680 1.00 9.74 N ATOM 511 CA GLY A 73 19.063 36.472 -8.555 1.00 11.29 C ATOM 512 C GLY A 73 17.608 36.684 -8.199 1.00 11.82 C ATOM 513 O GLY A 73 17.165 36.439 -7.081 1.00 11.74 O ATOM 0 H GLY A 73 20.276 35.881 -7.122 1.00 9.74 H new ATOM 0 HA2 GLY A 73 19.528 37.322 -8.515 1.00 11.29 H new ATOM 0 HA3 GLY A 73 19.125 36.158 -9.471 1.00 11.29 H new ATOM 514 N GLY A 74 16.856 37.148 -9.187 1.00 12.57 N ATOM 515 CA GLY A 74 15.459 37.478 -8.992 1.00 13.34 C ATOM 516 C GLY A 74 14.553 36.295 -9.258 1.00 14.28 C ATOM 517 O GLY A 74 15.001 35.174 -9.428 1.00 13.48 O ATOM 0 H GLY A 74 17.143 37.279 -9.987 1.00 12.57 H new ATOM 0 HA2 GLY A 74 15.325 37.789 -8.083 1.00 13.34 H new ATOM 0 HA3 GLY A 74 15.215 38.209 -9.581 1.00 13.34 H new ATOM 518 N HIS A 75 13.254 36.555 -9.288 1.00 15.26 N ATOM 519 CA HIS A 75 12.276 35.503 -9.528 1.00 16.74 C ATOM 520 C HIS A 75 12.449 34.887 -10.906 1.00 16.55 C ATOM 521 O HIS A 75 12.788 35.564 -11.880 1.00 17.35 O ATOM 522 CB HIS A 75 10.868 36.069 -9.400 1.00 17.25 C ATOM 523 CG HIS A 75 10.466 36.356 -7.994 1.00 19.95 C ATOM 524 ND1 HIS A 75 9.156 36.565 -7.623 1.00 22.24 N ATOM 525 CD2 HIS A 75 11.204 36.490 -6.869 1.00 21.53 C ATOM 526 CE1 HIS A 75 9.102 36.796 -6.325 1.00 23.03 C ATOM 527 NE2 HIS A 75 10.332 36.768 -5.846 1.00 22.42 N ATOM 0 H HIS A 75 12.916 37.337 -9.171 1.00 15.26 H new ATOM 0 HA HIS A 75 12.416 34.809 -8.865 1.00 16.74 H new ATOM 0 HB2 HIS A 75 10.808 36.886 -9.919 1.00 17.25 H new ATOM 0 HB3 HIS A 75 10.238 35.440 -9.787 1.00 17.25 H new ATOM 0 HD2 HIS A 75 12.128 36.409 -6.801 1.00 21.53 H new ATOM 0 HE1 HIS A 75 8.329 36.952 -5.832 1.00 23.03 H new ATOM 0 HE2 HIS A 75 10.551 36.902 -5.025 1.00 22.42 H new ATOM 528 N TYR A 76 12.206 33.583 -10.980 1.00 16.24 N ATOM 529 CA TYR A 76 12.320 32.845 -12.208 1.00 16.27 C ATOM 530 C TYR A 76 11.157 33.146 -13.169 1.00 17.14 C ATOM 531 O TYR A 76 9.982 33.138 -12.778 1.00 16.17 O ATOM 532 CB TYR A 76 12.403 31.333 -11.925 1.00 15.95 C ATOM 533 CG TYR A 76 12.445 30.553 -13.191 1.00 15.67 C ATOM 534 CD1 TYR A 76 13.580 30.559 -13.972 1.00 16.19 C ATOM 535 CD2 TYR A 76 11.325 29.862 -13.656 1.00 16.63 C ATOM 536 CE1 TYR A 76 13.638 29.889 -15.147 1.00 16.72 C ATOM 537 CE2 TYR A 76 11.366 29.181 -14.854 1.00 18.11 C ATOM 538 CZ TYR A 76 12.536 29.196 -15.600 1.00 17.87 C ATOM 539 OH TYR A 76 12.606 28.543 -16.810 1.00 20.57 O ATOM 0 H TYR A 76 11.968 33.105 -10.306 1.00 16.24 H new ATOM 0 HA TYR A 76 13.139 33.131 -12.642 1.00 16.27 H new ATOM 0 HB2 TYR A 76 13.195 31.143 -11.398 1.00 15.95 H new ATOM 0 HB3 TYR A 76 11.637 31.057 -11.397 1.00 15.95 H new ATOM 0 HD1 TYR A 76 14.325 31.035 -13.685 1.00 16.19 H new ATOM 0 HD2 TYR A 76 10.543 29.861 -13.153 1.00 16.63 H new ATOM 0 HE1 TYR A 76 14.421 29.896 -15.648 1.00 16.72 H new ATOM 0 HE2 TYR A 76 10.619 28.718 -15.158 1.00 18.11 H new ATOM 0 HH TYR A 76 13.222 28.877 -17.273 1.00 20.57 H new ATOM 540 N HIS A 77 11.514 33.444 -14.419 1.00 18.68 N ATOM 541 CA HIS A 77 10.557 33.597 -15.507 1.00 20.55 C ATOM 542 C HIS A 77 10.953 32.664 -16.638 1.00 21.65 C ATOM 543 O HIS A 77 12.114 32.616 -17.045 1.00 20.92 O ATOM 544 CB HIS A 77 10.571 35.021 -16.045 1.00 21.04 C ATOM 545 CG HIS A 77 10.016 36.032 -15.098 1.00 23.41 C ATOM 546 ND1 HIS A 77 8.679 36.361 -15.070 1.00 26.29 N ATOM 547 CD2 HIS A 77 10.613 36.787 -14.145 1.00 25.15 C ATOM 548 CE1 HIS A 77 8.476 37.281 -14.143 1.00 25.89 C ATOM 549 NE2 HIS A 77 9.632 37.556 -13.566 1.00 26.87 N ATOM 0 H HIS A 77 12.331 33.564 -14.659 1.00 18.68 H new ATOM 0 HA HIS A 77 9.671 33.390 -15.171 1.00 20.55 H new ATOM 0 HB2 HIS A 77 11.484 35.265 -16.266 1.00 21.04 H new ATOM 0 HB3 HIS A 77 10.062 35.050 -16.870 1.00 21.04 H new ATOM 0 HD1 HIS A 77 8.072 36.021 -15.576 1.00 26.29 H new ATOM 0 HD2 HIS A 77 11.516 36.785 -13.924 1.00 25.15 H new ATOM 0 HE1 HIS A 77 7.658 37.669 -13.933 1.00 25.89 H new ATOM 550 N VAL A 78 9.983 31.938 -17.163 1.00 23.18 N ATOM 551 CA VAL A 78 10.209 31.120 -18.343 1.00 25.39 C ATOM 552 C VAL A 78 10.493 32.105 -19.473 1.00 27.31 C ATOM 553 O VAL A 78 9.857 33.156 -19.538 1.00 27.78 O ATOM 554 CB VAL A 78 8.983 30.245 -18.624 1.00 25.33 C ATOM 555 CG1 VAL A 78 9.084 29.547 -19.978 1.00 26.46 C ATOM 556 CG2 VAL A 78 8.827 29.224 -17.510 1.00 25.93 C ATOM 0 H VAL A 78 9.182 31.904 -16.851 1.00 23.18 H new ATOM 0 HA VAL A 78 10.951 30.505 -18.235 1.00 25.39 H new ATOM 0 HB VAL A 78 8.200 30.817 -18.655 1.00 25.33 H new ATOM 0 HG11 VAL A 78 8.293 29.004 -20.122 1.00 26.46 H new ATOM 0 HG12 VAL A 78 9.151 30.212 -20.681 1.00 26.46 H new ATOM 0 HG13 VAL A 78 9.872 28.981 -19.993 1.00 26.46 H new ATOM 0 HG21 VAL A 78 8.051 28.669 -17.686 1.00 25.93 H new ATOM 0 HG22 VAL A 78 9.620 28.667 -17.468 1.00 25.93 H new ATOM 0 HG23 VAL A 78 8.710 29.683 -16.664 1.00 25.93 H new ATOM 557 N PRO A 79 11.471 31.815 -20.333 1.00 29.68 N ATOM 558 CA PRO A 79 11.877 32.819 -21.325 1.00 31.15 C ATOM 559 C PRO A 79 10.687 33.241 -22.201 1.00 32.45 C ATOM 560 O PRO A 79 9.925 32.385 -22.661 1.00 33.08 O ATOM 561 CB PRO A 79 12.998 32.130 -22.124 1.00 31.04 C ATOM 562 CG PRO A 79 13.035 30.691 -21.693 1.00 30.74 C ATOM 563 CD PRO A 79 12.254 30.566 -20.428 1.00 29.69 C ATOM 0 HA PRO A 79 12.189 33.646 -20.926 1.00 31.15 H new ATOM 0 HB2 PRO A 79 12.830 32.197 -23.077 1.00 31.04 H new ATOM 0 HB3 PRO A 79 13.851 32.559 -21.956 1.00 31.04 H new ATOM 0 HG2 PRO A 79 12.658 30.121 -22.382 1.00 30.74 H new ATOM 0 HG3 PRO A 79 13.951 30.402 -21.556 1.00 30.74 H new ATOM 0 HD2 PRO A 79 11.674 29.789 -20.450 1.00 29.69 H new ATOM 0 HD3 PRO A 79 12.841 30.461 -19.663 1.00 29.69 H new ATOM 564 N GLY A 80 10.508 34.552 -22.363 1.00 34.17 N ATOM 565 CA GLY A 80 9.367 35.104 -23.077 1.00 35.39 C ATOM 566 C GLY A 80 8.170 35.459 -22.205 1.00 36.47 C ATOM 567 O GLY A 80 7.153 35.944 -22.712 1.00 37.17 O ATOM 0 H GLY A 80 11.050 35.146 -22.059 1.00 34.17 H new ATOM 0 HA2 GLY A 80 9.653 35.901 -23.549 1.00 35.39 H new ATOM 0 HA3 GLY A 80 9.082 34.464 -23.748 1.00 35.39 H new ATOM 568 N HIS A 81 8.287 35.235 -20.897 1.00 37.49 N ATOM 569 CA HIS A 81 7.203 35.503 -19.948 1.00 38.21 C ATOM 570 C HIS A 81 7.619 36.601 -18.983 1.00 38.17 C ATOM 571 O HIS A 81 8.657 36.507 -18.327 1.00 38.44 O ATOM 572 CB HIS A 81 6.846 34.241 -19.154 1.00 38.54 C ATOM 573 CG HIS A 81 5.946 33.299 -19.891 1.00 40.52 C ATOM 574 ND1 HIS A 81 4.602 33.547 -20.081 1.00 42.82 N ATOM 575 CD2 HIS A 81 6.195 32.105 -20.481 1.00 42.63 C ATOM 576 CE1 HIS A 81 4.064 32.547 -20.758 1.00 43.44 C ATOM 577 NE2 HIS A 81 5.009 31.658 -21.011 1.00 43.21 N ATOM 0 H HIS A 81 9.000 34.922 -20.532 1.00 37.49 H new ATOM 0 HA HIS A 81 6.424 35.786 -20.452 1.00 38.21 H new ATOM 0 HB2 HIS A 81 7.664 33.776 -18.917 1.00 38.54 H new ATOM 0 HB3 HIS A 81 6.418 34.502 -18.324 1.00 38.54 H new ATOM 0 HD1 HIS A 81 4.180 34.243 -19.803 1.00 42.82 H new ATOM 0 HD2 HIS A 81 7.016 31.669 -20.520 1.00 42.63 H new ATOM 0 HE1 HIS A 81 3.172 32.480 -21.013 1.00 43.44 H new ATOM 578 N THR A 82 6.805 37.643 -18.899 1.00 38.19 N ATOM 579 CA THR A 82 7.076 38.748 -17.993 1.00 38.25 C ATOM 580 C THR A 82 5.888 38.920 -17.054 1.00 37.60 C ATOM 581 O THR A 82 4.827 38.322 -17.251 1.00 37.50 O ATOM 582 CB THR A 82 7.352 40.038 -18.803 1.00 38.46 C ATOM 583 OG1 THR A 82 8.346 39.775 -19.801 1.00 39.58 O ATOM 584 CG2 THR A 82 8.006 41.119 -17.950 1.00 39.04 C ATOM 0 H THR A 82 6.085 37.730 -19.362 1.00 38.19 H new ATOM 0 HA THR A 82 7.866 38.561 -17.462 1.00 38.25 H new ATOM 0 HB THR A 82 6.492 40.318 -19.155 1.00 38.46 H new ATOM 0 HG1 THR A 82 8.494 40.475 -20.241 1.00 39.58 H new ATOM 0 HG21 THR A 82 8.162 41.908 -18.492 1.00 39.04 H new ATOM 0 HG22 THR A 82 7.421 41.346 -17.210 1.00 39.04 H new ATOM 0 HG23 THR A 82 8.851 40.792 -17.605 1.00 39.04 H new ATOM 585 N GLY A 83 6.084 39.714 -16.013 1.00 37.00 N ATOM 586 CA GLY A 83 4.993 40.107 -15.149 1.00 36.29 C ATOM 587 C GLY A 83 4.706 39.112 -14.047 1.00 35.55 C ATOM 588 O GLY A 83 5.392 38.098 -13.887 1.00 35.57 O ATOM 0 H GLY A 83 6.849 40.037 -15.791 1.00 37.00 H new ATOM 0 HA2 GLY A 83 5.199 40.968 -14.752 1.00 36.29 H new ATOM 0 HA3 GLY A 83 4.193 40.225 -15.684 1.00 36.29 H new ATOM 589 N THR A 84 3.639 39.422 -13.318 1.00 34.41 N ATOM 590 CA THR A 84 3.328 38.858 -12.014 1.00 33.26 C ATOM 591 C THR A 84 1.959 38.163 -12.076 1.00 31.84 C ATOM 592 O THR A 84 1.027 38.708 -12.663 1.00 31.99 O ATOM 593 CB THR A 84 3.308 40.019 -10.999 1.00 33.58 C ATOM 594 OG1 THR A 84 4.582 40.680 -11.015 1.00 34.70 O ATOM 595 CG2 THR A 84 3.160 39.532 -9.557 1.00 33.57 C ATOM 0 H THR A 84 3.052 39.992 -13.583 1.00 34.41 H new ATOM 0 HA THR A 84 3.988 38.199 -11.747 1.00 33.26 H new ATOM 0 HB THR A 84 2.563 40.585 -11.253 1.00 33.58 H new ATOM 0 HG1 THR A 84 4.973 40.552 -10.283 1.00 34.70 H new ATOM 0 HG21 THR A 84 3.152 40.294 -8.957 1.00 33.57 H new ATOM 0 HG22 THR A 84 2.329 39.040 -9.465 1.00 33.57 H new ATOM 0 HG23 THR A 84 3.905 38.952 -9.333 1.00 33.57 H new ATOM 596 N PRO A 85 1.817 36.969 -11.504 1.00 29.56 N ATOM 597 CA PRO A 85 2.894 36.243 -10.815 1.00 27.96 C ATOM 598 C PRO A 85 3.967 35.727 -11.769 1.00 26.08 C ATOM 599 O PRO A 85 3.655 35.273 -12.881 1.00 26.13 O ATOM 600 CB PRO A 85 2.163 35.052 -10.176 1.00 28.01 C ATOM 601 CG PRO A 85 0.929 34.867 -10.987 1.00 29.10 C ATOM 602 CD PRO A 85 0.550 36.215 -11.509 1.00 29.91 C ATOM 0 HA PRO A 85 3.361 36.816 -10.187 1.00 27.96 H new ATOM 0 HB2 PRO A 85 2.714 34.254 -10.191 1.00 28.01 H new ATOM 0 HB3 PRO A 85 1.948 35.231 -9.247 1.00 28.01 H new ATOM 0 HG2 PRO A 85 1.086 34.247 -11.716 1.00 29.10 H new ATOM 0 HG3 PRO A 85 0.215 34.494 -10.447 1.00 29.10 H new ATOM 0 HD2 PRO A 85 0.174 36.158 -12.402 1.00 29.91 H new ATOM 0 HD3 PRO A 85 -0.118 36.639 -10.947 1.00 29.91 H new ATOM 603 N ALA A 86 5.220 35.803 -11.330 1.00 23.53 N ATOM 604 CA ALA A 86 6.315 35.183 -12.054 1.00 21.71 C ATOM 605 C ALA A 86 6.089 33.670 -12.153 1.00 20.22 C ATOM 606 O ALA A 86 5.374 33.059 -11.337 1.00 19.30 O ATOM 607 CB ALA A 86 7.640 35.491 -11.378 1.00 21.74 C ATOM 0 H ALA A 86 5.454 36.212 -10.611 1.00 23.53 H new ATOM 0 HA ALA A 86 6.345 35.548 -12.952 1.00 21.71 H new ATOM 0 HB1 ALA A 86 8.361 35.071 -11.872 1.00 21.74 H new ATOM 0 HB2 ALA A 86 7.778 36.451 -11.359 1.00 21.74 H new ATOM 0 HB3 ALA A 86 7.628 35.148 -10.471 1.00 21.74 H new ATOM 608 N SER A 87 6.702 33.071 -13.166 1.00 18.58 N ATOM 609 CA SER A 87 6.629 31.632 -13.386 1.00 17.85 C ATOM 610 C SER A 87 7.026 30.844 -12.145 1.00 17.19 C ATOM 611 O SER A 87 6.493 29.773 -11.888 1.00 16.56 O ATOM 612 CB SER A 87 7.559 31.236 -14.530 1.00 17.56 C ATOM 613 OG SER A 87 7.322 32.046 -15.665 1.00 19.12 O ATOM 0 H SER A 87 7.175 33.490 -13.749 1.00 18.58 H new ATOM 0 HA SER A 87 5.707 31.421 -13.603 1.00 17.85 H new ATOM 0 HB2 SER A 87 8.483 31.326 -14.249 1.00 17.56 H new ATOM 0 HB3 SER A 87 7.422 30.303 -14.757 1.00 17.56 H new ATOM 0 HG SER A 87 6.695 31.718 -16.117 1.00 19.12 H new ATOM 614 N GLY A 88 7.958 31.394 -11.377 1.00 16.27 N ATOM 615 CA GLY A 88 8.493 30.697 -10.220 1.00 15.90 C ATOM 616 C GLY A 88 7.739 30.936 -8.913 1.00 15.43 C ATOM 617 O GLY A 88 8.153 30.420 -7.882 1.00 15.60 O ATOM 0 H GLY A 88 8.294 32.174 -11.511 1.00 16.27 H new ATOM 0 HA2 GLY A 88 8.496 29.745 -10.406 1.00 15.90 H new ATOM 0 HA3 GLY A 88 9.417 30.965 -10.098 1.00 15.90 H new ATOM 618 N ASP A 89 6.654 31.704 -8.935 1.00 14.13 N ATOM 619 CA ASP A 89 5.928 32.006 -7.708 1.00 13.32 C ATOM 620 C ASP A 89 5.125 30.801 -7.235 1.00 11.62 C ATOM 621 O ASP A 89 4.566 30.066 -8.034 1.00 12.38 O ATOM 622 CB ASP A 89 5.022 33.211 -7.924 1.00 14.78 C ATOM 623 CG ASP A 89 5.807 34.498 -8.106 1.00 17.70 C ATOM 624 OD1 ASP A 89 7.066 34.476 -8.018 1.00 23.54 O ATOM 625 OD2 ASP A 89 5.243 35.586 -8.331 1.00 24.29 O ATOM 0 H ASP A 89 6.324 32.058 -9.646 1.00 14.13 H new ATOM 0 HA ASP A 89 6.571 32.219 -7.014 1.00 13.32 H new ATOM 0 HB2 ASP A 89 4.467 33.060 -8.705 1.00 14.78 H new ATOM 0 HB3 ASP A 89 4.424 33.304 -7.166 1.00 14.78 H new ATOM 626 N LEU A 90 5.127 30.575 -5.925 1.00 10.02 N ATOM 627 CA LEU A 90 4.426 29.445 -5.323 1.00 9.62 C ATOM 628 C LEU A 90 3.584 29.933 -4.167 1.00 9.19 C ATOM 629 O LEU A 90 3.801 31.018 -3.635 1.00 9.53 O ATOM 630 CB LEU A 90 5.421 28.405 -4.807 1.00 9.25 C ATOM 631 CG LEU A 90 6.345 27.789 -5.863 1.00 10.70 C ATOM 632 CD1 LEU A 90 7.527 27.038 -5.246 1.00 11.39 C ATOM 633 CD2 LEU A 90 5.568 26.859 -6.760 1.00 11.95 C ATOM 0 H LEU A 90 5.537 31.075 -5.358 1.00 10.02 H new ATOM 0 HA LEU A 90 3.864 29.036 -5.999 1.00 9.62 H new ATOM 0 HB2 LEU A 90 5.970 28.818 -4.122 1.00 9.25 H new ATOM 0 HB3 LEU A 90 4.924 27.690 -4.379 1.00 9.25 H new ATOM 0 HG LEU A 90 6.706 28.525 -6.382 1.00 10.70 H new ATOM 0 HD11 LEU A 90 8.080 26.668 -5.952 1.00 11.39 H new ATOM 0 HD12 LEU A 90 8.055 27.650 -4.710 1.00 11.39 H new ATOM 0 HD13 LEU A 90 7.197 26.319 -4.685 1.00 11.39 H new ATOM 0 HD21 LEU A 90 6.163 26.476 -7.423 1.00 11.95 H new ATOM 0 HD22 LEU A 90 5.177 26.148 -6.228 1.00 11.95 H new ATOM 0 HD23 LEU A 90 4.863 27.354 -7.206 1.00 11.95 H new ATOM 634 N ALA A 91 2.607 29.114 -3.789 1.00 9.04 N ATOM 635 CA ALA A 91 1.843 29.341 -2.574 1.00 8.82 C ATOM 636 C ALA A 91 2.820 29.438 -1.404 1.00 9.11 C ATOM 637 O ALA A 91 3.910 28.848 -1.429 1.00 8.66 O ATOM 638 CB ALA A 91 0.870 28.206 -2.352 1.00 9.42 C ATOM 0 H ALA A 91 2.371 28.414 -4.230 1.00 9.04 H new ATOM 0 HA ALA A 91 1.334 30.164 -2.649 1.00 8.82 H new ATOM 0 HB1 ALA A 91 0.365 28.367 -1.539 1.00 9.42 H new ATOM 0 HB2 ALA A 91 0.261 28.150 -3.105 1.00 9.42 H new ATOM 0 HB3 ALA A 91 1.359 27.372 -2.269 1.00 9.42 H new ATOM 639 N SER A 92 2.428 30.178 -0.379 1.00 8.72 N ATOM 640 CA SER A 92 3.315 30.471 0.742 1.00 9.09 C ATOM 641 C SER A 92 3.444 29.289 1.684 1.00 8.64 C ATOM 642 O SER A 92 2.545 28.430 1.809 1.00 9.27 O ATOM 643 CB SER A 92 2.826 31.710 1.510 1.00 9.42 C ATOM 644 OG SER A 92 2.693 32.831 0.634 1.00 11.21 O ATOM 0 H SER A 92 1.644 30.525 -0.310 1.00 8.72 H new ATOM 0 HA SER A 92 4.194 30.653 0.374 1.00 9.09 H new ATOM 0 HB2 SER A 92 1.973 31.519 1.930 1.00 9.42 H new ATOM 0 HB3 SER A 92 3.451 31.922 2.221 1.00 9.42 H new ATOM 0 HG SER A 92 1.924 32.832 0.295 1.00 11.21 H new ATOM 645 N LEU A 93 4.568 29.260 2.381 1.00 8.75 N ATOM 646 CA LEU A 93 4.846 28.242 3.388 1.00 8.51 C ATOM 647 C LEU A 93 4.349 28.684 4.754 1.00 9.00 C ATOM 648 O LEU A 93 4.790 29.708 5.291 1.00 8.97 O ATOM 649 CB LEU A 93 6.354 27.975 3.450 1.00 8.69 C ATOM 650 CG LEU A 93 6.778 26.770 4.281 1.00 9.96 C ATOM 651 CD1 LEU A 93 6.176 25.438 3.778 1.00 8.98 C ATOM 652 CD2 LEU A 93 8.292 26.660 4.341 1.00 10.31 C ATOM 0 H LEU A 93 5.200 29.835 2.284 1.00 8.75 H new ATOM 0 HA LEU A 93 4.380 27.428 3.139 1.00 8.51 H new ATOM 0 HB2 LEU A 93 6.682 27.855 2.545 1.00 8.69 H new ATOM 0 HB3 LEU A 93 6.791 28.764 3.808 1.00 8.69 H new ATOM 0 HG LEU A 93 6.426 26.924 5.172 1.00 9.96 H new ATOM 0 HD11 LEU A 93 6.480 24.711 4.344 1.00 8.98 H new ATOM 0 HD12 LEU A 93 5.208 25.488 3.809 1.00 8.98 H new ATOM 0 HD13 LEU A 93 6.462 25.278 2.865 1.00 8.98 H new ATOM 0 HD21 LEU A 93 8.540 25.888 4.874 1.00 10.31 H new ATOM 0 HD22 LEU A 93 8.645 26.560 3.443 1.00 10.31 H new ATOM 0 HD23 LEU A 93 8.659 27.462 4.745 1.00 10.31 H new ATOM 653 N GLN A 94 3.421 27.913 5.309 1.00 8.36 N ATOM 654 CA GLN A 94 2.752 28.234 6.565 1.00 9.04 C ATOM 655 C GLN A 94 3.458 27.489 7.702 1.00 8.95 C ATOM 656 O GLN A 94 3.410 26.261 7.773 1.00 10.04 O ATOM 657 CB GLN A 94 1.289 27.783 6.426 1.00 8.89 C ATOM 658 CG GLN A 94 0.403 28.062 7.610 1.00 10.17 C ATOM 659 CD GLN A 94 -1.090 27.972 7.284 1.00 10.53 C ATOM 660 OE1 GLN A 94 -1.507 27.478 6.225 1.00 11.02 O ATOM 661 NE2 GLN A 94 -1.891 28.416 8.217 1.00 10.98 N ATOM 0 H GLN A 94 3.157 27.173 4.959 1.00 8.36 H new ATOM 0 HA GLN A 94 2.783 29.183 6.763 1.00 9.04 H new ATOM 0 HB2 GLN A 94 0.907 28.218 5.648 1.00 8.89 H new ATOM 0 HB3 GLN A 94 1.277 26.829 6.252 1.00 8.89 H new ATOM 0 HG2 GLN A 94 0.612 27.432 8.318 1.00 10.17 H new ATOM 0 HG3 GLN A 94 0.600 28.948 7.952 1.00 10.17 H new ATOM 0 HE21 GLN A 94 -1.566 28.752 8.939 1.00 10.98 H new ATOM 0 HE22 GLN A 94 -2.743 28.372 8.109 1.00 10.98 H new ATOM 662 N VAL A 95 4.141 28.235 8.574 1.00 8.66 N ATOM 663 CA VAL A 95 4.987 27.636 9.600 1.00 9.19 C ATOM 664 C VAL A 95 4.277 27.654 10.957 1.00 9.84 C ATOM 665 O VAL A 95 3.766 28.692 11.403 1.00 10.97 O ATOM 666 CB VAL A 95 6.344 28.363 9.673 1.00 9.23 C ATOM 667 CG1 VAL A 95 7.213 27.780 10.780 1.00 9.58 C ATOM 668 CG2 VAL A 95 7.081 28.294 8.308 1.00 9.98 C ATOM 0 H VAL A 95 4.125 29.095 8.585 1.00 8.66 H new ATOM 0 HA VAL A 95 5.156 26.711 9.362 1.00 9.19 H new ATOM 0 HB VAL A 95 6.173 29.295 9.880 1.00 9.23 H new ATOM 0 HG11 VAL A 95 8.060 28.251 10.808 1.00 9.58 H new ATOM 0 HG12 VAL A 95 6.760 27.878 11.632 1.00 9.58 H new ATOM 0 HG13 VAL A 95 7.372 26.839 10.605 1.00 9.58 H new ATOM 0 HG21 VAL A 95 7.931 28.756 8.375 1.00 9.98 H new ATOM 0 HG22 VAL A 95 7.236 27.366 8.070 1.00 9.98 H new ATOM 0 HG23 VAL A 95 6.537 28.716 7.625 1.00 9.98 H new ATOM 669 N ARG A 96 4.233 26.477 11.586 1.00 10.63 N ATOM 670 CA ARG A 96 3.560 26.271 12.855 1.00 11.09 C ATOM 671 C ARG A 96 4.384 26.863 14.000 1.00 12.10 C ATOM 672 O ARG A 96 5.509 27.307 13.811 1.00 11.88 O ATOM 673 CB ARG A 96 3.283 24.781 13.075 1.00 10.82 C ATOM 674 CG ARG A 96 2.495 24.128 11.936 1.00 11.19 C ATOM 675 CD ARG A 96 1.923 22.774 12.259 1.00 12.57 C ATOM 676 NE ARG A 96 2.914 21.740 12.570 1.00 13.14 N ATOM 677 CZ ARG A 96 3.575 20.995 11.683 1.00 14.62 C ATOM 678 NH1 ARG A 96 3.454 21.196 10.380 1.00 13.97 N ATOM 679 NH2 ARG A 96 4.405 20.055 12.114 1.00 17.32 N ATOM 0 H ARG A 96 4.603 25.766 11.275 1.00 10.63 H new ATOM 0 HA ARG A 96 2.707 26.732 12.837 1.00 11.09 H new ATOM 0 HB2 ARG A 96 4.127 24.315 13.182 1.00 10.82 H new ATOM 0 HB3 ARG A 96 2.791 24.670 13.903 1.00 10.82 H new ATOM 0 HG2 ARG A 96 1.769 24.719 11.681 1.00 11.19 H new ATOM 0 HG3 ARG A 96 3.076 24.044 11.164 1.00 11.19 H new ATOM 0 HD2 ARG A 96 1.322 22.864 13.015 1.00 12.57 H new ATOM 0 HD3 ARG A 96 1.390 22.475 11.506 1.00 12.57 H new ATOM 0 HE ARG A 96 3.085 21.601 13.401 1.00 13.14 H new ATOM 0 HH11 ARG A 96 2.939 21.820 10.087 1.00 13.97 H new ATOM 0 HH12 ARG A 96 3.890 20.703 9.827 1.00 13.97 H new ATOM 0 HH21 ARG A 96 4.513 19.931 12.958 1.00 17.32 H new ATOM 0 HH22 ARG A 96 4.836 19.570 11.549 1.00 17.32 H new ATOM 680 N GLY A 97 3.787 26.879 15.184 1.00 13.63 N ATOM 681 CA GLY A 97 4.422 27.432 16.371 1.00 14.11 C ATOM 682 C GLY A 97 5.775 26.860 16.713 1.00 14.51 C ATOM 683 O GLY A 97 6.613 27.582 17.252 1.00 15.72 O ATOM 0 H GLY A 97 2.997 26.567 15.322 1.00 13.63 H new ATOM 0 HA2 GLY A 97 4.515 28.390 16.252 1.00 14.11 H new ATOM 0 HA3 GLY A 97 3.831 27.296 17.128 1.00 14.11 H new ATOM 684 N ASP A 98 6.011 25.590 16.379 1.00 14.30 N ATOM 685 CA ASP A 98 7.299 24.948 16.654 1.00 14.52 C ATOM 686 C ASP A 98 8.342 25.104 15.548 1.00 13.99 C ATOM 687 O ASP A 98 9.421 24.530 15.649 1.00 14.83 O ATOM 688 CB ASP A 98 7.123 23.470 17.024 1.00 14.91 C ATOM 689 CG ASP A 98 6.565 22.615 15.886 1.00 16.88 C ATOM 690 OD1 ASP A 98 6.284 23.138 14.780 1.00 16.55 O ATOM 691 OD2 ASP A 98 6.365 21.389 16.040 1.00 20.82 O ATOM 0 H ASP A 98 5.436 25.081 15.991 1.00 14.30 H new ATOM 0 HA ASP A 98 7.654 25.430 17.417 1.00 14.52 H new ATOM 0 HB2 ASP A 98 7.980 23.109 17.299 1.00 14.91 H new ATOM 0 HB3 ASP A 98 6.529 23.404 17.788 1.00 14.91 H new ATOM 692 N GLY A 99 8.011 25.868 14.503 1.00 13.37 N ATOM 693 CA GLY A 99 8.901 26.085 13.384 1.00 12.90 C ATOM 694 C GLY A 99 8.817 25.054 12.271 1.00 12.62 C ATOM 695 O GLY A 99 9.592 25.151 11.321 1.00 12.83 O ATOM 0 H GLY A 99 7.256 26.274 14.432 1.00 13.37 H new ATOM 0 HA2 GLY A 99 8.715 26.960 13.008 1.00 12.90 H new ATOM 0 HA3 GLY A 99 9.812 26.107 13.715 1.00 12.90 H new ATOM 696 N SER A 100 7.887 24.107 12.371 1.00 11.81 N ATOM 697 CA SER A 100 7.721 23.066 11.350 1.00 11.76 C ATOM 698 C SER A 100 6.662 23.475 10.339 1.00 10.38 C ATOM 699 O SER A 100 5.812 24.297 10.634 1.00 10.40 O ATOM 700 CB SER A 100 7.359 21.736 11.993 1.00 12.63 C ATOM 701 OG SER A 100 8.417 21.343 12.860 1.00 16.24 O ATOM 0 H SER A 100 7.335 24.047 13.028 1.00 11.81 H new ATOM 0 HA SER A 100 8.565 22.959 10.884 1.00 11.76 H new ATOM 0 HB2 SER A 100 6.530 21.818 12.490 1.00 12.63 H new ATOM 0 HB3 SER A 100 7.215 21.061 11.311 1.00 12.63 H new ATOM 0 HG SER A 100 8.396 20.510 12.968 1.00 16.24 H new ATOM 702 N ALA A 101 6.752 22.901 9.145 1.00 9.53 N ATOM 703 CA ALA A 101 5.900 23.274 8.006 1.00 9.05 C ATOM 704 C ALA A 101 5.860 22.181 6.936 1.00 9.47 C ATOM 705 O ALA A 101 6.823 21.432 6.742 1.00 9.22 O ATOM 706 CB ALA A 101 6.395 24.571 7.372 1.00 8.98 C ATOM 0 H ALA A 101 7.314 22.276 8.965 1.00 9.53 H new ATOM 0 HA ALA A 101 5.003 23.395 8.354 1.00 9.05 H new ATOM 0 HB1 ALA A 101 5.824 24.804 6.623 1.00 8.98 H new ATOM 0 HB2 ALA A 101 6.371 25.283 8.030 1.00 8.98 H new ATOM 0 HB3 ALA A 101 7.305 24.452 7.059 1.00 8.98 H new ATOM 707 N MET A 102 4.734 22.112 6.236 1.00 9.24 N ATOM 708 CA MET A 102 4.587 21.256 5.066 1.00 10.29 C ATOM 709 C MET A 102 3.623 21.935 4.106 1.00 10.22 C ATOM 710 O MET A 102 2.550 22.405 4.503 1.00 10.57 O ATOM 711 CB MET A 102 4.083 19.860 5.460 1.00 10.92 C ATOM 712 CG AMET A 102 3.712 19.025 4.230 0.25 11.21 C ATOM 713 CG BMET A 102 3.964 18.896 4.278 0.25 11.54 C ATOM 714 CG CMET A 102 3.398 19.027 4.366 0.25 12.77 C ATOM 715 CG DMET A 102 3.659 18.935 4.299 0.25 12.48 C ATOM 716 SD AMET A 102 3.525 17.300 4.575 0.25 9.77 S ATOM 717 SD BMET A 102 2.362 18.707 3.582 0.25 11.51 S ATOM 718 SD CMET A 102 4.433 18.196 3.215 0.25 16.15 S ATOM 719 SD DMET A 102 2.244 17.888 4.745 0.25 14.68 S ATOM 720 CE AMET A 102 1.763 17.225 4.772 0.25 10.79 C ATOM 721 CE BMET A 102 2.527 17.107 2.825 0.25 9.93 C ATOM 722 CE CMET A 102 3.293 16.973 2.601 0.25 15.16 C ATOM 723 CE DMET A 102 3.074 16.447 5.348 0.25 13.97 C ATOM 0 H MET A 102 4.028 22.564 6.428 1.00 9.24 H new ATOM 0 HA MET A 102 5.448 21.131 4.638 1.00 10.29 H new ATOM 0 HB2AMET A 102 4.768 19.400 5.969 0.25 10.92 H new ATOM 0 HB2BMET A 102 4.686 19.480 6.118 0.25 10.92 H new ATOM 0 HB2CMET A 102 4.837 19.352 5.797 0.25 10.92 H new ATOM 0 HB2DMET A 102 4.782 19.415 5.965 0.25 10.92 H new ATOM 0 HB3AMET A 102 3.309 19.946 6.039 0.25 10.92 H new ATOM 0 HB3BMET A 102 3.216 19.946 5.886 0.25 10.92 H new ATOM 0 HB3CMET A 102 3.459 19.962 6.195 0.25 10.92 H new ATOM 0 HB3DMET A 102 3.326 19.967 6.057 0.25 10.92 H new ATOM 0 HG2AMET A 102 2.884 19.364 3.856 0.25 12.48 H new ATOM 0 HG2BMET A 102 4.566 19.196 3.579 0.25 12.48 H new ATOM 0 HG2CMET A 102 2.839 18.363 4.800 0.25 12.48 H new ATOM 0 HG2DMET A 102 3.431 19.473 3.525 0.25 12.48 H new ATOM 0 HG3AMET A 102 4.397 19.139 3.552 0.25 12.48 H new ATOM 0 HG3BMET A 102 4.276 18.023 4.565 0.25 12.48 H new ATOM 0 HG3CMET A 102 2.807 19.614 3.869 0.25 12.48 H new ATOM 0 HG3DMET A 102 4.408 18.374 4.044 0.25 12.48 H new ATOM 0 HE1AMET A 102 1.498 16.313 4.972 0.25 13.97 H new ATOM 0 HE1BMET A 102 1.694 16.867 2.390 0.25 13.97 H new ATOM 0 HE1CMET A 102 3.721 16.453 1.903 0.25 13.97 H new ATOM 0 HE1DMET A 102 2.418 15.789 5.627 0.25 13.97 H new ATOM 0 HE2AMET A 102 1.494 17.806 5.500 0.25 13.97 H new ATOM 0 HE2BMET A 102 3.239 17.132 2.167 0.25 13.97 H new ATOM 0 HE2CMET A 102 3.028 16.385 3.325 0.25 13.97 H new ATOM 0 HE2DMET A 102 3.627 16.073 4.644 0.25 13.97 H new ATOM 0 HE3AMET A 102 1.333 17.514 3.952 0.25 13.97 H new ATOM 0 HE3BMET A 102 2.739 16.448 3.504 0.25 13.97 H new ATOM 0 HE3CMET A 102 2.508 17.414 2.240 0.25 13.97 H new ATOM 0 HE3DMET A 102 3.632 16.687 6.104 0.25 13.97 H new ATOM 724 N LEU A 103 3.995 21.921 2.835 1.00 8.94 N ATOM 725 CA LEU A 103 3.189 22.494 1.763 1.00 8.61 C ATOM 726 C LEU A 103 3.187 21.566 0.571 1.00 8.49 C ATOM 727 O LEU A 103 4.239 21.035 0.195 1.00 8.45 O ATOM 728 CB LEU A 103 3.753 23.850 1.339 1.00 8.56 C ATOM 729 CG LEU A 103 3.152 24.499 0.079 1.00 9.12 C ATOM 730 CD1 LEU A 103 1.733 24.993 0.287 1.00 9.67 C ATOM 731 CD2 LEU A 103 4.034 25.611 -0.419 1.00 9.19 C ATOM 0 H LEU A 103 4.734 21.574 2.564 1.00 8.94 H new ATOM 0 HA LEU A 103 2.283 22.612 2.089 1.00 8.61 H new ATOM 0 HB2 LEU A 103 3.639 24.467 2.078 1.00 8.56 H new ATOM 0 HB3 LEU A 103 4.707 23.748 1.199 1.00 8.56 H new ATOM 0 HG LEU A 103 3.107 23.804 -0.596 1.00 9.12 H new ATOM 0 HD11 LEU A 103 1.405 25.391 -0.535 1.00 9.67 H new ATOM 0 HD12 LEU A 103 1.164 24.248 0.535 1.00 9.67 H new ATOM 0 HD13 LEU A 103 1.722 25.657 0.994 1.00 9.67 H new ATOM 0 HD21 LEU A 103 3.639 26.007 -1.212 1.00 9.19 H new ATOM 0 HD22 LEU A 103 4.122 26.288 0.270 1.00 9.19 H new ATOM 0 HD23 LEU A 103 4.910 25.256 -0.637 1.00 9.19 H new ATOM 732 N VAL A 104 2.008 21.348 -0.012 1.00 7.98 N ATOM 733 CA VAL A 104 1.900 20.828 -1.381 1.00 7.81 C ATOM 734 C VAL A 104 1.120 21.842 -2.193 1.00 7.98 C ATOM 735 O VAL A 104 0.070 22.324 -1.747 1.00 7.35 O ATOM 736 CB VAL A 104 1.170 19.467 -1.477 1.00 8.17 C ATOM 737 CG1 VAL A 104 1.090 18.992 -2.935 1.00 9.18 C ATOM 738 CG2 VAL A 104 1.879 18.442 -0.625 1.00 9.38 C ATOM 0 H VAL A 104 1.252 21.495 0.370 1.00 7.98 H new ATOM 0 HA VAL A 104 2.801 20.686 -1.711 1.00 7.81 H new ATOM 0 HB VAL A 104 0.264 19.578 -1.148 1.00 8.17 H new ATOM 0 HG11 VAL A 104 0.630 18.139 -2.973 1.00 9.18 H new ATOM 0 HG12 VAL A 104 0.604 19.645 -3.462 1.00 9.18 H new ATOM 0 HG13 VAL A 104 1.986 18.891 -3.292 1.00 9.18 H new ATOM 0 HG21 VAL A 104 1.417 17.592 -0.690 1.00 9.38 H new ATOM 0 HG22 VAL A 104 2.792 18.338 -0.936 1.00 9.38 H new ATOM 0 HG23 VAL A 104 1.885 18.737 0.299 1.00 9.38 H new ATOM 739 N THR A 105 1.643 22.183 -3.366 1.00 8.03 N ATOM 740 CA THR A 105 0.926 23.047 -4.306 1.00 8.36 C ATOM 741 C THR A 105 1.230 22.601 -5.740 1.00 8.52 C ATOM 742 O THR A 105 2.057 21.725 -5.950 1.00 9.94 O ATOM 743 CB THR A 105 1.277 24.525 -4.038 1.00 8.78 C ATOM 744 OG1 THR A 105 0.403 25.387 -4.784 1.00 9.57 O ATOM 745 CG2 THR A 105 2.697 24.852 -4.482 1.00 8.91 C ATOM 0 H THR A 105 2.416 21.924 -3.640 1.00 8.03 H new ATOM 0 HA THR A 105 -0.032 22.966 -4.180 1.00 8.36 H new ATOM 0 HB THR A 105 1.184 24.664 -3.083 1.00 8.78 H new ATOM 0 HG1 THR A 105 -0.318 25.485 -4.365 1.00 9.57 H new ATOM 0 HG21 THR A 105 2.886 25.786 -4.300 1.00 8.91 H new ATOM 0 HG22 THR A 105 3.325 24.295 -3.996 1.00 8.91 H new ATOM 0 HG23 THR A 105 2.786 24.684 -5.433 1.00 8.91 H new ATOM 746 N THR A 106 0.511 23.148 -6.711 1.00 8.60 N ATOM 747 CA THR A 106 0.714 22.794 -8.104 1.00 9.85 C ATOM 748 C THR A 106 0.820 24.024 -8.972 1.00 9.85 C ATOM 749 O THR A 106 0.325 25.096 -8.620 1.00 10.11 O ATOM 750 CB THR A 106 -0.405 21.886 -8.675 1.00 10.48 C ATOM 751 OG1 THR A 106 -1.608 22.639 -8.843 1.00 11.95 O ATOM 752 CG2 THR A 106 -0.760 20.732 -7.737 1.00 12.92 C ATOM 0 H THR A 106 -0.106 23.733 -6.580 1.00 8.60 H new ATOM 0 HA THR A 106 1.546 22.296 -8.121 1.00 9.85 H new ATOM 0 HB THR A 106 -0.063 21.539 -9.514 1.00 10.48 H new ATOM 0 HG1 THR A 106 -2.209 22.141 -9.154 1.00 11.95 H new ATOM 0 HG21 THR A 106 -1.462 20.194 -8.136 1.00 12.92 H new ATOM 0 HG22 THR A 106 0.025 20.181 -7.590 1.00 12.92 H new ATOM 0 HG23 THR A 106 -1.068 21.087 -6.889 1.00 12.92 H new ATOM 753 N THR A 107 1.455 23.844 -10.124 1.00 10.03 N ATOM 754 CA THR A 107 1.606 24.912 -11.090 1.00 11.17 C ATOM 755 C THR A 107 1.922 24.341 -12.468 1.00 11.12 C ATOM 756 O THR A 107 2.693 23.388 -12.593 1.00 11.02 O ATOM 757 CB THR A 107 2.706 25.888 -10.652 1.00 11.21 C ATOM 758 OG1 THR A 107 2.917 26.872 -11.680 1.00 13.69 O ATOM 759 CG2 THR A 107 4.064 25.217 -10.459 1.00 12.52 C ATOM 0 H THR A 107 1.809 23.098 -10.364 1.00 10.03 H new ATOM 0 HA THR A 107 0.768 25.398 -11.140 1.00 11.17 H new ATOM 0 HB THR A 107 2.399 26.264 -9.812 1.00 11.21 H new ATOM 0 HG1 THR A 107 2.178 27.094 -12.011 1.00 13.69 H new ATOM 0 HG21 THR A 107 4.716 25.880 -10.184 1.00 12.52 H new ATOM 0 HG22 THR A 107 3.992 24.531 -9.776 1.00 12.52 H new ATOM 0 HG23 THR A 107 4.347 24.813 -11.294 1.00 12.52 H new ATOM 760 N ASP A 108 1.335 24.936 -13.491 1.00 12.50 N ATOM 761 CA ASP A 108 1.689 24.588 -14.867 1.00 13.21 C ATOM 762 C ASP A 108 2.644 25.607 -15.495 1.00 13.23 C ATOM 763 O ASP A 108 2.855 25.594 -16.719 1.00 13.57 O ATOM 764 CB ASP A 108 0.415 24.388 -15.706 1.00 13.43 C ATOM 765 CG ASP A 108 -0.429 25.644 -15.825 1.00 16.01 C ATOM 766 OD1 ASP A 108 0.003 26.728 -15.392 1.00 23.54 O ATOM 767 OD2 ASP A 108 -1.546 25.649 -16.395 1.00 22.77 O ATOM 0 H ASP A 108 0.730 25.543 -13.417 1.00 12.50 H new ATOM 0 HA ASP A 108 2.174 23.748 -14.851 1.00 13.21 H new ATOM 0 HB2 ASP A 108 0.664 24.088 -16.594 1.00 13.43 H new ATOM 0 HB3 ASP A 108 -0.120 23.683 -15.308 1.00 13.43 H new ATOM 768 N ALA A 109 3.258 26.464 -14.675 1.00 13.09 N ATOM 769 CA ALA A 109 4.039 27.612 -15.169 1.00 13.16 C ATOM 770 C ALA A 109 5.457 27.274 -15.647 1.00 13.47 C ATOM 771 O ALA A 109 6.087 28.097 -16.334 1.00 14.64 O ATOM 772 CB ALA A 109 4.098 28.699 -14.118 1.00 13.89 C ATOM 0 H ALA A 109 3.236 26.399 -13.818 1.00 13.09 H new ATOM 0 HA ALA A 109 3.564 27.920 -15.957 1.00 13.16 H new ATOM 0 HB1 ALA A 109 4.614 29.448 -14.455 1.00 13.89 H new ATOM 0 HB2 ALA A 109 3.199 28.995 -13.908 1.00 13.89 H new ATOM 0 HB3 ALA A 109 4.519 28.352 -13.316 1.00 13.89 H new ATOM 773 N PHE A 110 5.968 26.099 -15.288 1.00 12.35 N ATOM 774 CA PHE A 110 7.296 25.672 -15.724 1.00 12.35 C ATOM 775 C PHE A 110 7.375 24.152 -15.865 1.00 12.40 C ATOM 776 O PHE A 110 6.583 23.424 -15.291 1.00 12.19 O ATOM 777 CB PHE A 110 8.375 26.162 -14.753 1.00 11.75 C ATOM 778 CG PHE A 110 8.109 25.794 -13.322 1.00 11.64 C ATOM 779 CD1 PHE A 110 8.384 24.503 -12.859 1.00 12.11 C ATOM 780 CD2 PHE A 110 7.563 26.713 -12.451 1.00 12.83 C ATOM 781 CE1 PHE A 110 8.136 24.151 -11.545 1.00 12.42 C ATOM 782 CE2 PHE A 110 7.314 26.364 -11.126 1.00 12.35 C ATOM 783 CZ PHE A 110 7.586 25.070 -10.688 1.00 11.45 C ATOM 0 H PHE A 110 5.559 25.531 -14.789 1.00 12.35 H new ATOM 0 HA PHE A 110 7.454 26.069 -16.595 1.00 12.35 H new ATOM 0 HB2 PHE A 110 9.231 25.793 -15.020 1.00 11.75 H new ATOM 0 HB3 PHE A 110 8.448 27.127 -14.823 1.00 11.75 H new ATOM 0 HD1 PHE A 110 8.739 23.872 -13.443 1.00 12.11 H new ATOM 0 HD2 PHE A 110 7.360 27.570 -12.750 1.00 12.83 H new ATOM 0 HE1 PHE A 110 8.341 23.295 -11.244 1.00 12.42 H new ATOM 0 HE2 PHE A 110 6.967 26.993 -10.535 1.00 12.35 H new ATOM 0 HZ PHE A 110 7.394 24.828 -9.811 1.00 11.45 H new ATOM 784 N THR A 111 8.360 23.701 -16.644 1.00 12.19 N ATOM 785 CA THR A 111 8.627 22.293 -16.894 1.00 12.26 C ATOM 786 C THR A 111 9.958 21.889 -16.290 1.00 12.01 C ATOM 787 O THR A 111 10.727 22.729 -15.817 1.00 11.65 O ATOM 788 CB THR A 111 8.721 22.026 -18.406 1.00 12.41 C ATOM 789 OG1 THR A 111 9.782 22.817 -18.936 1.00 12.11 O ATOM 790 CG2 THR A 111 7.484 22.502 -19.151 1.00 13.37 C ATOM 0 H THR A 111 8.905 24.226 -17.052 1.00 12.19 H new ATOM 0 HA THR A 111 7.901 21.786 -16.497 1.00 12.26 H new ATOM 0 HB THR A 111 8.841 21.070 -18.517 1.00 12.41 H new ATOM 0 HG1 THR A 111 9.719 22.846 -19.773 1.00 12.11 H new ATOM 0 HG21 THR A 111 7.584 22.315 -20.098 1.00 13.37 H new ATOM 0 HG22 THR A 111 6.703 22.038 -18.811 1.00 13.37 H new ATOM 0 HG23 THR A 111 7.375 23.457 -19.020 1.00 13.37 H new ATOM 791 N MET A 112 10.249 20.596 -16.332 1.00 12.12 N ATOM 792 CA MET A 112 11.530 20.092 -15.873 1.00 12.76 C ATOM 793 C MET A 112 12.692 20.701 -16.686 1.00 12.68 C ATOM 794 O MET A 112 13.692 21.149 -16.119 1.00 13.03 O ATOM 795 CB MET A 112 11.551 18.568 -15.931 1.00 12.76 C ATOM 796 CG MET A 112 12.885 17.958 -15.584 1.00 16.56 C ATOM 797 SD MET A 112 12.747 16.156 -15.588 1.00 23.87 S ATOM 798 CE AMET A 112 14.018 15.682 -16.684 0.25 23.10 C ATOM 799 CE BMET A 112 14.386 15.721 -15.140 0.50 20.57 C ATOM 800 CE CMET A 112 11.882 15.856 -14.141 0.25 22.04 C ATOM 0 H MET A 112 9.713 19.991 -16.625 1.00 12.12 H new ATOM 0 HA MET A 112 11.652 20.362 -14.949 1.00 12.76 H new ATOM 0 HB2 MET A 112 10.880 18.221 -15.323 1.00 12.76 H new ATOM 0 HB3 MET A 112 11.299 18.284 -16.824 1.00 12.76 H new ATOM 0 HG2 MET A 112 13.557 18.242 -16.224 1.00 16.56 H new ATOM 0 HG3 MET A 112 13.175 18.267 -14.712 1.00 16.56 H new ATOM 0 HE1AMET A 112 14.035 14.715 -16.762 0.25 22.04 H new ATOM 0 HE1BMET A 112 14.597 14.844 -15.497 0.50 22.04 H new ATOM 0 HE1CMET A 112 12.267 15.091 -13.686 0.25 22.04 H new ATOM 0 HE2AMET A 112 13.856 16.074 -17.557 0.25 22.04 H new ATOM 0 HE2BMET A 112 15.005 16.375 -15.501 0.50 22.04 H new ATOM 0 HE2CMET A 112 11.935 16.635 -13.565 0.25 22.04 H new ATOM 0 HE3AMET A 112 14.872 15.993 -16.344 0.25 22.04 H new ATOM 0 HE3BMET A 112 14.463 15.703 -14.173 0.50 22.04 H new ATOM 0 HE3CMET A 112 10.953 15.672 -14.351 0.25 22.04 H new ATOM 801 N ASP A 113 12.553 20.741 -18.012 1.00 13.62 N ATOM 802 CA ASP A 113 13.595 21.325 -18.851 1.00 13.75 C ATOM 803 C ASP A 113 13.840 22.787 -18.506 1.00 13.04 C ATOM 804 O ASP A 113 14.999 23.245 -18.510 1.00 13.33 O ATOM 805 CB ASP A 113 13.237 21.201 -20.347 1.00 14.05 C ATOM 806 CG ASP A 113 13.275 19.772 -20.849 1.00 17.46 C ATOM 807 OD1 ASP A 113 13.844 18.894 -20.170 1.00 21.39 O ATOM 808 OD2 ASP A 113 12.704 19.434 -21.911 1.00 20.78 O ATOM 0 H ASP A 113 11.871 20.439 -18.439 1.00 13.62 H new ATOM 0 HA ASP A 113 14.409 20.827 -18.677 1.00 13.75 H new ATOM 0 HB2 ASP A 113 12.350 21.566 -20.494 1.00 14.05 H new ATOM 0 HB3 ASP A 113 13.855 21.738 -20.868 1.00 14.05 H new ATOM 809 N ASP A 114 12.774 23.532 -18.191 1.00 12.37 N ATOM 810 CA ASP A 114 12.916 24.928 -17.801 1.00 12.45 C ATOM 811 C ASP A 114 13.864 25.054 -16.609 1.00 12.29 C ATOM 812 O ASP A 114 14.757 25.896 -16.593 1.00 11.85 O ATOM 813 CB ASP A 114 11.577 25.554 -17.389 1.00 12.71 C ATOM 814 CG ASP A 114 10.623 25.770 -18.542 1.00 14.43 C ATOM 815 OD1 ASP A 114 11.056 25.788 -19.719 1.00 15.26 O ATOM 816 OD2 ASP A 114 9.397 25.943 -18.338 1.00 12.68 O ATOM 0 H ASP A 114 11.964 23.243 -18.199 1.00 12.37 H new ATOM 0 HA ASP A 114 13.264 25.394 -18.578 1.00 12.45 H new ATOM 0 HB2 ASP A 114 11.151 24.982 -16.731 1.00 12.71 H new ATOM 0 HB3 ASP A 114 11.747 26.406 -16.957 1.00 12.71 H new ATOM 817 N LEU A 115 13.631 24.247 -15.576 1.00 12.12 N ATOM 818 CA LEU A 115 14.425 24.372 -14.356 1.00 12.16 C ATOM 819 C LEU A 115 15.876 23.919 -14.500 1.00 13.15 C ATOM 820 O LEU A 115 16.733 24.340 -13.711 1.00 13.78 O ATOM 821 CB LEU A 115 13.740 23.608 -13.209 1.00 11.75 C ATOM 822 CG LEU A 115 12.335 24.108 -12.861 1.00 12.42 C ATOM 823 CD1 LEU A 115 11.901 23.418 -11.559 1.00 12.37 C ATOM 824 CD2 LEU A 115 12.227 25.619 -12.718 1.00 13.22 C ATOM 0 H LEU A 115 13.030 23.632 -15.560 1.00 12.12 H new ATOM 0 HA LEU A 115 14.466 25.321 -14.157 1.00 12.16 H new ATOM 0 HB2 LEU A 115 13.687 22.669 -13.448 1.00 11.75 H new ATOM 0 HB3 LEU A 115 14.297 23.668 -12.417 1.00 11.75 H new ATOM 0 HG LEU A 115 11.750 23.883 -13.602 1.00 12.42 H new ATOM 0 HD11 LEU A 115 11.011 23.718 -11.315 1.00 12.37 H new ATOM 0 HD12 LEU A 115 11.894 22.457 -11.689 1.00 12.37 H new ATOM 0 HD13 LEU A 115 12.524 23.643 -10.850 1.00 12.37 H new ATOM 0 HD21 LEU A 115 11.313 25.859 -12.498 1.00 13.22 H new ATOM 0 HD22 LEU A 115 12.819 25.920 -12.011 1.00 13.22 H new ATOM 0 HD23 LEU A 115 12.480 26.042 -13.553 1.00 13.22 H new ATOM 825 N LEU A 116 16.148 23.089 -15.509 1.00 13.81 N ATOM 826 CA LEU A 116 17.495 22.541 -15.753 1.00 14.59 C ATOM 827 C LEU A 116 18.268 23.332 -16.798 1.00 15.06 C ATOM 828 O LEU A 116 19.448 23.087 -17.020 1.00 16.15 O ATOM 829 CB LEU A 116 17.395 21.086 -16.185 1.00 15.06 C ATOM 830 CG LEU A 116 16.845 20.108 -15.139 1.00 15.03 C ATOM 831 CD1 LEU A 116 16.794 18.706 -15.694 1.00 17.05 C ATOM 832 CD2 LEU A 116 17.656 20.147 -13.868 1.00 17.35 C ATOM 0 H LEU A 116 15.557 22.825 -16.075 1.00 13.81 H new ATOM 0 HA LEU A 116 17.984 22.608 -14.918 1.00 14.59 H new ATOM 0 HB2 LEU A 116 16.831 21.039 -16.973 1.00 15.06 H new ATOM 0 HB3 LEU A 116 18.278 20.785 -16.450 1.00 15.06 H new ATOM 0 HG LEU A 116 15.942 20.386 -14.922 1.00 15.03 H new ATOM 0 HD11 LEU A 116 16.444 18.103 -15.019 1.00 17.05 H new ATOM 0 HD12 LEU A 116 16.217 18.687 -16.474 1.00 17.05 H new ATOM 0 HD13 LEU A 116 17.687 18.425 -15.946 1.00 17.05 H new ATOM 0 HD21 LEU A 116 17.285 19.520 -13.228 1.00 17.35 H new ATOM 0 HD22 LEU A 116 18.575 19.904 -14.063 1.00 17.35 H new ATOM 0 HD23 LEU A 116 17.631 21.042 -13.495 1.00 17.35 H new ATOM 833 N SER A 117 17.593 24.290 -17.404 1.00 14.95 N ATOM 834 CA SER A 117 18.150 25.137 -18.446 1.00 15.45 C ATOM 835 C SER A 117 19.184 26.114 -17.847 1.00 15.14 C ATOM 836 O SER A 117 19.064 26.573 -16.692 1.00 14.28 O ATOM 837 CB SER A 117 16.995 25.894 -19.147 1.00 15.31 C ATOM 838 OG ASER A 117 16.745 27.029 -18.342 0.50 17.21 O ATOM 839 OG BSER A 117 16.530 25.053 -20.180 0.50 16.51 O ATOM 0 H SER A 117 16.774 24.473 -17.217 1.00 14.95 H new ATOM 0 HA SER A 117 18.613 24.594 -19.103 1.00 15.45 H new ATOM 0 HB2ASER A 117 17.243 26.153 -20.048 0.50 15.31 H new ATOM 0 HB2BSER A 117 16.283 26.095 -18.519 0.50 15.31 H new ATOM 0 HB3ASER A 117 16.205 25.336 -19.219 0.50 15.31 H new ATOM 0 HB3BSER A 117 17.305 26.741 -19.505 0.50 15.31 H new ATOM 0 HG ASER A 117 16.237 26.817 -17.708 0.50 16.51 H new ATOM 0 HG BSER A 117 16.050 24.446 -19.853 0.50 16.51 H new ATOM 840 N GLY A 118 20.223 26.404 -18.617 1.00 14.98 N ATOM 841 CA GLY A 118 21.107 27.509 -18.315 1.00 15.87 C ATOM 842 C GLY A 118 21.839 27.403 -16.994 1.00 15.76 C ATOM 843 O GLY A 118 22.502 26.407 -16.708 1.00 17.01 O ATOM 0 H GLY A 118 20.432 25.965 -19.326 1.00 14.98 H new ATOM 0 HA2 GLY A 118 21.762 27.585 -19.027 1.00 15.87 H new ATOM 0 HA3 GLY A 118 20.589 28.329 -18.317 1.00 15.87 H new ATOM 844 N ALA A 119 21.678 28.453 -16.187 1.00 17.66 N ATOM 845 CA ALA A 119 22.339 28.585 -14.891 1.00 17.99 C ATOM 846 C ALA A 119 21.570 27.879 -13.763 1.00 17.65 C ATOM 847 O ALA A 119 21.965 27.960 -12.604 1.00 18.21 O ATOM 848 CB ALA A 119 22.515 30.060 -14.563 1.00 18.77 C ATOM 0 H ALA A 119 21.172 29.120 -16.383 1.00 17.66 H new ATOM 0 HA ALA A 119 23.204 28.151 -14.955 1.00 17.99 H new ATOM 0 HB1 ALA A 119 22.954 30.150 -13.703 1.00 18.77 H new ATOM 0 HB2 ALA A 119 23.057 30.482 -15.248 1.00 18.77 H new ATOM 0 HB3 ALA A 119 21.646 30.490 -14.529 1.00 18.77 H new ATOM 849 N LYS A 120 20.510 27.165 -14.134 1.00 16.40 N ATOM 850 CA LYS A 120 19.669 26.410 -13.200 1.00 15.15 C ATOM 851 C LYS A 120 18.920 27.375 -12.296 1.00 12.66 C ATOM 852 O LYS A 120 18.919 28.581 -12.542 1.00 12.00 O ATOM 853 CB LYS A 120 20.500 25.414 -12.407 1.00 16.15 C ATOM 854 CG LYS A 120 21.376 24.514 -13.285 1.00 20.02 C ATOM 855 CD LYS A 120 20.919 23.106 -13.184 1.00 24.65 C ATOM 856 CE LYS A 120 21.356 22.486 -11.873 1.00 26.00 C ATOM 857 NZ LYS A 120 20.356 21.544 -11.354 1.00 26.96 N ATOM 0 H LYS A 120 20.252 27.103 -14.952 1.00 16.40 H new ATOM 0 HA LYS A 120 19.016 25.895 -13.699 1.00 15.15 H new ATOM 0 HB2 LYS A 120 21.066 25.898 -11.786 1.00 16.15 H new ATOM 0 HB3 LYS A 120 19.907 24.859 -11.877 1.00 16.15 H new ATOM 0 HG2 LYS A 120 21.334 24.810 -14.208 1.00 20.02 H new ATOM 0 HG3 LYS A 120 22.303 24.582 -13.007 1.00 20.02 H new ATOM 0 HD2 LYS A 120 19.952 23.070 -13.256 1.00 24.65 H new ATOM 0 HD3 LYS A 120 21.278 22.592 -13.924 1.00 24.65 H new ATOM 0 HE2 LYS A 120 22.200 22.025 -11.999 1.00 26.00 H new ATOM 0 HE3 LYS A 120 21.510 23.186 -11.220 1.00 26.00 H new ATOM 0 HZ1 LYS A 120 20.747 20.976 -10.791 1.00 26.96 H new ATOM 0 HZ2 LYS A 120 19.718 21.994 -10.926 1.00 26.96 H new ATOM 0 HZ3 LYS A 120 19.996 21.090 -12.030 1.00 26.96 H new ATOM 858 N THR A 121 18.265 26.840 -11.260 1.00 11.12 N ATOM 859 CA THR A 121 17.358 27.620 -10.429 1.00 10.52 C ATOM 860 C THR A 121 17.504 27.189 -8.981 1.00 9.67 C ATOM 861 O THR A 121 18.077 26.135 -8.671 1.00 9.20 O ATOM 862 CB THR A 121 15.887 27.475 -10.855 1.00 10.09 C ATOM 863 OG1 THR A 121 15.472 26.108 -10.797 1.00 12.94 O ATOM 864 CG2 THR A 121 15.642 27.910 -12.302 1.00 10.47 C ATOM 0 H THR A 121 18.338 26.016 -11.024 1.00 11.12 H new ATOM 0 HA THR A 121 17.600 28.553 -10.538 1.00 10.52 H new ATOM 0 HB THR A 121 15.392 28.040 -10.241 1.00 10.09 H new ATOM 0 HG1 THR A 121 16.108 25.612 -11.032 1.00 12.94 H new ATOM 0 HG21 THR A 121 14.703 27.799 -12.519 1.00 10.47 H new ATOM 0 HG22 THR A 121 15.890 28.842 -12.406 1.00 10.47 H new ATOM 0 HG23 THR A 121 16.178 27.365 -12.899 1.00 10.47 H new ATOM 865 N ALA A 122 16.985 28.032 -8.099 1.00 9.63 N ATOM 866 CA ALA A 122 17.014 27.764 -6.671 1.00 9.28 C ATOM 867 C ALA A 122 15.635 28.002 -6.083 1.00 10.01 C ATOM 868 O ALA A 122 14.952 28.940 -6.480 1.00 11.40 O ATOM 869 CB ALA A 122 18.040 28.662 -5.997 1.00 9.82 C ATOM 0 H ALA A 122 16.607 28.774 -8.312 1.00 9.63 H new ATOM 0 HA ALA A 122 17.266 26.840 -6.520 1.00 9.28 H new ATOM 0 HB1 ALA A 122 18.055 28.479 -5.045 1.00 9.82 H new ATOM 0 HB2 ALA A 122 18.918 28.490 -6.373 1.00 9.82 H new ATOM 0 HB3 ALA A 122 17.803 29.591 -6.143 1.00 9.82 H new ATOM 870 N ILE A 123 15.245 27.206 -5.099 1.00 8.58 N ATOM 871 CA ILE A 123 14.024 27.452 -4.340 1.00 8.93 C ATOM 872 C ILE A 123 14.409 28.184 -3.029 1.00 8.91 C ATOM 873 O ILE A 123 15.351 27.799 -2.338 1.00 8.83 O ATOM 874 CB ILE A 123 13.226 26.143 -4.101 1.00 8.59 C ATOM 875 CG1 ILE A 123 11.971 26.453 -3.268 1.00 11.71 C ATOM 876 CG2 ILE A 123 14.099 25.097 -3.438 1.00 9.06 C ATOM 877 CD1 ILE A 123 10.854 25.496 -3.466 1.00 14.35 C ATOM 0 H ILE A 123 15.679 26.507 -4.850 1.00 8.58 H new ATOM 0 HA ILE A 123 13.422 28.021 -4.845 1.00 8.93 H new ATOM 0 HB ILE A 123 12.943 25.776 -4.953 1.00 8.59 H new ATOM 0 HG12 ILE A 123 12.213 26.461 -2.329 1.00 11.71 H new ATOM 0 HG13 ILE A 123 11.661 27.345 -3.489 1.00 11.71 H new ATOM 0 HG21 ILE A 123 13.584 24.287 -3.297 1.00 9.06 H new ATOM 0 HG22 ILE A 123 14.859 24.901 -4.008 1.00 9.06 H new ATOM 0 HG23 ILE A 123 14.414 25.432 -2.584 1.00 9.06 H new ATOM 0 HD11 ILE A 123 10.103 25.756 -2.910 1.00 14.35 H new ATOM 0 HD12 ILE A 123 10.584 25.502 -4.398 1.00 14.35 H new ATOM 0 HD13 ILE A 123 11.144 24.604 -3.219 1.00 14.35 H new ATOM 878 N ILE A 124 13.707 29.273 -2.740 1.00 8.72 N ATOM 879 CA ILE A 124 14.018 30.167 -1.624 1.00 9.36 C ATOM 880 C ILE A 124 12.806 30.375 -0.716 1.00 8.66 C ATOM 881 O ILE A 124 11.698 30.622 -1.176 1.00 8.86 O ATOM 882 CB ILE A 124 14.520 31.521 -2.167 1.00 9.99 C ATOM 883 CG1 ILE A 124 15.801 31.258 -2.987 1.00 13.03 C ATOM 884 CG2 ILE A 124 14.701 32.538 -1.024 1.00 12.41 C ATOM 885 CD1 ILE A 124 16.869 32.268 -2.938 1.00 14.76 C ATOM 0 H ILE A 124 13.021 29.521 -3.196 1.00 8.72 H new ATOM 0 HA ILE A 124 14.715 29.754 -1.090 1.00 9.36 H new ATOM 0 HB ILE A 124 13.867 31.928 -2.758 1.00 9.99 H new ATOM 0 HG12 ILE A 124 16.176 30.414 -2.691 1.00 13.03 H new ATOM 0 HG13 ILE A 124 15.542 31.143 -3.915 1.00 13.03 H new ATOM 0 HG21 ILE A 124 15.017 33.380 -1.387 1.00 12.41 H new ATOM 0 HG22 ILE A 124 13.852 32.677 -0.577 1.00 12.41 H new ATOM 0 HG23 ILE A 124 15.349 32.198 -0.387 1.00 12.41 H new ATOM 0 HD11 ILE A 124 17.611 31.982 -3.493 1.00 14.76 H new ATOM 0 HD12 ILE A 124 16.529 33.115 -3.266 1.00 14.76 H new ATOM 0 HD13 ILE A 124 17.172 32.374 -2.023 1.00 14.76 H new ATOM 886 N ILE A 125 13.044 30.232 0.578 1.00 7.97 N ATOM 887 CA ILE A 125 12.085 30.638 1.615 1.00 7.96 C ATOM 888 C ILE A 125 12.500 32.007 2.138 1.00 8.64 C ATOM 889 O ILE A 125 13.641 32.194 2.539 1.00 7.79 O ATOM 890 CB ILE A 125 12.056 29.625 2.794 1.00 7.98 C ATOM 891 CG1 ILE A 125 11.753 28.195 2.336 1.00 8.21 C ATOM 892 CG2 ILE A 125 11.027 30.058 3.855 1.00 8.58 C ATOM 893 CD1 ILE A 125 11.942 27.162 3.424 1.00 9.61 C ATOM 0 H ILE A 125 13.771 29.894 0.890 1.00 7.97 H new ATOM 0 HA ILE A 125 11.197 30.666 1.227 1.00 7.96 H new ATOM 0 HB ILE A 125 12.946 29.626 3.181 1.00 7.98 H new ATOM 0 HG12 ILE A 125 10.839 28.153 2.015 1.00 8.21 H new ATOM 0 HG13 ILE A 125 12.328 27.974 1.586 1.00 8.21 H new ATOM 0 HG21 ILE A 125 11.022 29.416 4.582 1.00 8.58 H new ATOM 0 HG22 ILE A 125 11.265 30.933 4.199 1.00 8.58 H new ATOM 0 HG23 ILE A 125 10.145 30.098 3.453 1.00 8.58 H new ATOM 0 HD11 ILE A 125 11.736 26.281 3.074 1.00 9.61 H new ATOM 0 HD12 ILE A 125 12.862 27.180 3.731 1.00 9.61 H new ATOM 0 HD13 ILE A 125 11.350 27.361 4.166 1.00 9.61 H new ATOM 894 N HIS A 126 11.556 32.949 2.117 1.00 8.98 N ATOM 895 CA HIS A 126 11.748 34.317 2.597 1.00 9.35 C ATOM 896 C HIS A 126 11.387 34.473 4.077 1.00 10.37 C ATOM 897 O HIS A 126 10.674 33.659 4.650 1.00 10.37 O ATOM 898 CB HIS A 126 10.932 35.307 1.746 1.00 9.76 C ATOM 899 CG HIS A 126 11.455 35.458 0.361 1.00 10.01 C ATOM 900 ND1 HIS A 126 12.485 36.316 0.040 1.00 12.44 N ATOM 901 CD2 HIS A 126 11.110 34.834 -0.791 1.00 15.01 C ATOM 902 CE1 HIS A 126 12.759 36.203 -1.248 1.00 13.19 C ATOM 903 NE2 HIS A 126 11.943 35.306 -1.773 1.00 15.29 N ATOM 0 H HIS A 126 10.764 32.805 1.814 1.00 8.98 H new ATOM 0 HA HIS A 126 12.693 34.518 2.507 1.00 9.35 H new ATOM 0 HB2 HIS A 126 10.010 35.008 1.707 1.00 9.76 H new ATOM 0 HB3 HIS A 126 10.930 36.174 2.181 1.00 9.76 H new ATOM 0 HD1 HIS A 126 12.886 36.841 0.590 1.00 12.44 H new ATOM 0 HD2 HIS A 126 10.435 34.203 -0.896 1.00 15.01 H new ATOM 0 HE1 HIS A 126 13.415 36.675 -1.707 1.00 13.19 H new ATOM 904 N ALA A 127 11.876 35.547 4.687 1.00 10.84 N ATOM 905 CA ALA A 127 11.630 35.813 6.091 1.00 11.51 C ATOM 906 C ALA A 127 10.200 36.248 6.347 1.00 12.02 C ATOM 907 O ALA A 127 9.657 35.951 7.398 1.00 13.50 O ATOM 908 CB ALA A 127 12.607 36.890 6.600 1.00 12.61 C ATOM 0 H ALA A 127 12.360 36.140 4.295 1.00 10.84 H new ATOM 0 HA ALA A 127 11.774 34.985 6.575 1.00 11.51 H new ATOM 0 HB1 ALA A 127 12.437 37.063 7.539 1.00 12.61 H new ATOM 0 HB2 ALA A 127 13.519 36.579 6.489 1.00 12.61 H new ATOM 0 HB3 ALA A 127 12.481 37.707 6.093 1.00 12.61 H new ATOM 909 N GLY A 128 9.632 36.977 5.392 1.00 13.25 N ATOM 910 CA GLY A 128 8.323 37.595 5.518 1.00 13.07 C ATOM 911 C GLY A 128 7.258 36.963 4.636 1.00 12.66 C ATOM 912 O GLY A 128 7.543 36.144 3.769 1.00 11.80 O ATOM 0 H GLY A 128 10.009 37.128 4.634 1.00 13.25 H new ATOM 0 HA2 GLY A 128 8.038 37.542 6.444 1.00 13.07 H new ATOM 0 HA3 GLY A 128 8.397 38.537 5.297 1.00 13.07 H new ATOM 913 N ALA A 129 6.020 37.387 4.867 1.00 12.31 N ATOM 914 CA ALA A 129 4.900 37.007 4.014 1.00 12.18 C ATOM 915 C ALA A 129 4.975 37.692 2.640 1.00 12.92 C ATOM 916 O ALA A 129 5.539 38.772 2.476 1.00 12.82 O ATOM 917 CB ALA A 129 3.601 37.363 4.720 1.00 12.58 C ATOM 0 H ALA A 129 5.806 37.902 5.521 1.00 12.31 H new ATOM 0 HA ALA A 129 4.938 36.051 3.856 1.00 12.18 H new ATOM 0 HB1 ALA A 129 2.849 37.114 4.160 1.00 12.58 H new ATOM 0 HB2 ALA A 129 3.549 36.885 5.562 1.00 12.58 H new ATOM 0 HB3 ALA A 129 3.575 38.318 4.889 1.00 12.58 H new ATOM 918 N ASP A 130 4.442 37.002 1.645 1.00 12.90 N ATOM 919 CA ASP A 130 4.321 37.452 0.268 1.00 12.90 C ATOM 920 C ASP A 130 2.986 38.193 0.110 1.00 12.55 C ATOM 921 O ASP A 130 1.926 37.646 0.462 1.00 13.16 O ATOM 922 CB ASP A 130 4.325 36.165 -0.556 1.00 13.20 C ATOM 923 CG ASP A 130 4.438 36.366 -2.052 1.00 14.56 C ATOM 924 OD1 ASP A 130 4.187 37.459 -2.619 1.00 13.79 O ATOM 925 OD2 ASP A 130 4.784 35.408 -2.773 1.00 14.90 O ATOM 0 H ASP A 130 4.122 36.212 1.761 1.00 12.90 H new ATOM 0 HA ASP A 130 5.028 38.056 -0.007 1.00 12.90 H new ATOM 0 HB2 ASP A 130 5.064 35.610 -0.261 1.00 13.20 H new ATOM 0 HB3 ASP A 130 3.509 35.675 -0.369 1.00 13.20 H new ATOM 926 N ASN A 131 3.011 39.422 -0.423 1.00 11.27 N ATOM 927 CA ASN A 131 1.755 40.157 -0.643 1.00 10.82 C ATOM 928 C ASN A 131 1.119 39.921 -2.015 1.00 11.29 C ATOM 929 O ASN A 131 0.054 40.477 -2.315 1.00 10.91 O ATOM 930 CB ASN A 131 1.875 41.658 -0.323 1.00 10.66 C ATOM 931 CG ASN A 131 2.881 42.387 -1.192 1.00 10.75 C ATOM 932 OD1 ASN A 131 3.174 41.995 -2.318 1.00 10.91 O ATOM 933 ND2 ASN A 131 3.409 43.500 -0.658 1.00 10.18 N ATOM 0 H ASN A 131 3.725 39.840 -0.659 1.00 11.27 H new ATOM 0 HA ASN A 131 1.139 39.773 0.001 1.00 10.82 H new ATOM 0 HB2 ASN A 131 1.005 42.074 -0.430 1.00 10.66 H new ATOM 0 HB3 ASN A 131 2.127 41.763 0.608 1.00 10.66 H new ATOM 0 HD21 ASN A 131 3.974 43.966 -1.108 1.00 10.18 H new ATOM 0 HD22 ASN A 131 3.182 43.746 0.134 1.00 10.18 H new ATOM 934 N PHE A 132 1.776 39.114 -2.850 1.00 11.52 N ATOM 935 CA PHE A 132 1.296 38.796 -4.190 1.00 11.90 C ATOM 936 C PHE A 132 1.002 40.060 -5.033 1.00 12.75 C ATOM 937 O PHE A 132 0.217 40.030 -5.987 1.00 13.75 O ATOM 938 CB PHE A 132 0.087 37.848 -4.072 1.00 11.93 C ATOM 939 CG PHE A 132 0.462 36.497 -3.554 1.00 12.13 C ATOM 940 CD1 PHE A 132 0.808 35.471 -4.434 1.00 12.79 C ATOM 941 CD2 PHE A 132 0.551 36.257 -2.192 1.00 12.33 C ATOM 942 CE1 PHE A 132 1.209 34.223 -3.961 1.00 12.81 C ATOM 943 CE2 PHE A 132 0.954 35.001 -1.710 1.00 11.97 C ATOM 944 CZ PHE A 132 1.271 33.990 -2.601 1.00 12.81 C ATOM 0 H PHE A 132 2.521 38.733 -2.649 1.00 11.52 H new ATOM 0 HA PHE A 132 1.998 38.340 -4.680 1.00 11.90 H new ATOM 0 HB2 PHE A 132 -0.574 38.244 -3.483 1.00 11.93 H new ATOM 0 HB3 PHE A 132 -0.330 37.752 -4.942 1.00 11.93 H new ATOM 0 HD1 PHE A 132 0.770 35.622 -5.351 1.00 12.79 H new ATOM 0 HD2 PHE A 132 0.342 36.935 -1.591 1.00 12.33 H new ATOM 0 HE1 PHE A 132 1.434 33.548 -4.560 1.00 12.81 H new ATOM 0 HE2 PHE A 132 1.008 34.849 -0.794 1.00 11.97 H new ATOM 0 HZ PHE A 132 1.526 33.154 -2.284 1.00 12.81 H new ATOM 945 N ALA A 133 1.690 41.155 -4.687 1.00 13.11 N ATOM 946 CA ALA A 133 1.507 42.461 -5.328 1.00 13.51 C ATOM 947 C ALA A 133 0.064 43.014 -5.273 1.00 13.27 C ATOM 948 O ALA A 133 -0.352 43.817 -6.126 1.00 14.78 O ATOM 949 CB ALA A 133 2.021 42.409 -6.739 1.00 13.96 C ATOM 0 H ALA A 133 2.284 41.158 -4.065 1.00 13.11 H new ATOM 0 HA ALA A 133 2.027 43.094 -4.808 1.00 13.51 H new ATOM 0 HB1 ALA A 133 1.899 43.274 -7.160 1.00 13.96 H new ATOM 0 HB2 ALA A 133 2.965 42.184 -6.732 1.00 13.96 H new ATOM 0 HB3 ALA A 133 1.532 41.735 -7.237 1.00 13.96 H new ATOM 950 N ASN A 134 -0.691 42.598 -4.262 1.00 12.82 N ATOM 951 CA ASN A 134 -2.048 43.081 -4.059 1.00 12.61 C ATOM 952 C ASN A 134 -2.025 44.256 -3.093 1.00 12.70 C ATOM 953 O ASN A 134 -2.094 44.078 -1.880 1.00 12.15 O ATOM 954 CB ASN A 134 -2.952 41.952 -3.550 1.00 12.65 C ATOM 955 CG ASN A 134 -4.362 42.415 -3.234 1.00 14.07 C ATOM 956 OD1 ASN A 134 -4.755 43.530 -3.573 1.00 15.05 O ATOM 957 ND2 ASN A 134 -5.133 41.549 -2.585 1.00 13.91 N ATOM 0 H ASN A 134 -0.429 42.027 -3.675 1.00 12.82 H new ATOM 0 HA ASN A 134 -2.414 43.384 -4.905 1.00 12.61 H new ATOM 0 HB2 ASN A 134 -2.990 41.250 -4.218 1.00 12.65 H new ATOM 0 HB3 ASN A 134 -2.558 41.564 -2.753 1.00 12.65 H new ATOM 0 HD21 ASN A 134 -5.943 41.760 -2.385 1.00 13.91 H new ATOM 0 HD22 ASN A 134 -4.822 40.778 -2.365 1.00 13.91 H new ATOM 958 N ILE A 135 -1.880 45.457 -3.647 1.00 13.03 N ATOM 959 CA ILE A 135 -1.895 46.686 -2.870 1.00 14.26 C ATOM 960 C ILE A 135 -3.005 47.550 -3.469 1.00 14.25 C ATOM 961 O ILE A 135 -2.766 48.227 -4.468 1.00 14.78 O ATOM 962 CB ILE A 135 -0.522 47.388 -2.940 1.00 14.29 C ATOM 963 CG1 ILE A 135 0.559 46.438 -2.385 1.00 16.10 C ATOM 964 CG2 ILE A 135 -0.563 48.714 -2.157 1.00 15.26 C ATOM 965 CD1 ILE A 135 1.737 47.086 -1.757 1.00 18.40 C ATOM 0 H ILE A 135 -1.769 45.579 -4.491 1.00 13.03 H new ATOM 0 HA ILE A 135 -2.063 46.517 -1.930 1.00 14.26 H new ATOM 0 HB ILE A 135 -0.305 47.600 -3.861 1.00 14.29 H new ATOM 0 HG12 ILE A 135 0.146 45.855 -1.729 1.00 16.10 H new ATOM 0 HG13 ILE A 135 0.871 45.874 -3.110 1.00 16.10 H new ATOM 0 HG21 ILE A 135 0.304 49.147 -2.207 1.00 15.26 H new ATOM 0 HG22 ILE A 135 -1.237 49.296 -2.541 1.00 15.26 H new ATOM 0 HG23 ILE A 135 -0.781 48.535 -1.229 1.00 15.26 H new ATOM 0 HD11 ILE A 135 2.352 46.405 -1.443 1.00 18.40 H new ATOM 0 HD12 ILE A 135 2.183 47.648 -2.409 1.00 18.40 H new ATOM 0 HD13 ILE A 135 1.447 47.629 -1.007 1.00 18.40 H new ATOM 966 N PRO A 136 -4.209 47.493 -2.888 1.00 14.97 N ATOM 967 CA PRO A 136 -5.395 48.124 -3.490 1.00 15.47 C ATOM 968 C PRO A 136 -5.188 49.596 -3.904 1.00 16.54 C ATOM 969 O PRO A 136 -5.026 50.424 -3.017 1.00 15.48 O ATOM 970 CB PRO A 136 -6.441 48.022 -2.376 1.00 16.04 C ATOM 971 CG PRO A 136 -6.066 46.799 -1.618 1.00 15.53 C ATOM 972 CD PRO A 136 -4.551 46.784 -1.640 1.00 15.08 C ATOM 0 HA PRO A 136 -5.640 47.686 -4.320 1.00 15.47 H new ATOM 0 HB2 PRO A 136 -6.428 48.807 -1.807 1.00 16.04 H new ATOM 0 HB3 PRO A 136 -7.337 47.950 -2.740 1.00 16.04 H new ATOM 0 HG2 PRO A 136 -6.405 46.829 -0.710 1.00 15.53 H new ATOM 0 HG3 PRO A 136 -6.433 46.002 -2.031 1.00 15.53 H new ATOM 0 HD2 PRO A 136 -4.179 47.231 -0.864 1.00 15.08 H new ATOM 0 HD3 PRO A 136 -4.204 45.878 -1.639 1.00 15.08 H new ATOM 973 N PRO A 137 -5.173 49.911 -5.203 1.00 17.88 N ATOM 974 CA PRO A 137 -4.897 51.289 -5.646 1.00 18.43 C ATOM 975 C PRO A 137 -5.956 52.308 -5.244 1.00 18.55 C ATOM 976 O PRO A 137 -5.631 53.488 -5.233 1.00 19.25 O ATOM 977 CB PRO A 137 -4.833 51.174 -7.173 1.00 18.92 C ATOM 978 CG PRO A 137 -5.571 49.910 -7.501 1.00 18.91 C ATOM 979 CD PRO A 137 -5.340 48.997 -6.350 1.00 18.34 C ATOM 0 HA PRO A 137 -4.086 51.619 -5.229 1.00 18.43 H new ATOM 0 HB2 PRO A 137 -5.245 51.941 -7.600 1.00 18.92 H new ATOM 0 HB3 PRO A 137 -3.915 51.135 -7.484 1.00 18.92 H new ATOM 0 HG2 PRO A 137 -6.518 50.082 -7.625 1.00 18.91 H new ATOM 0 HG3 PRO A 137 -5.243 49.520 -8.326 1.00 18.91 H new ATOM 0 HD2 PRO A 137 -6.088 48.394 -6.218 1.00 18.34 H new ATOM 0 HD3 PRO A 137 -4.552 48.447 -6.484 1.00 18.34 H new ATOM 980 N GLU A 138 -7.166 51.876 -4.894 1.00 18.54 N ATOM 981 CA GLU A 138 -8.192 52.814 -4.428 1.00 19.02 C ATOM 982 C GLU A 138 -7.974 53.316 -3.010 1.00 17.73 C ATOM 983 O GLU A 138 -8.555 54.336 -2.633 1.00 17.97 O ATOM 984 CB GLU A 138 -9.583 52.188 -4.515 1.00 19.58 C ATOM 985 CG GLU A 138 -10.120 52.169 -5.936 1.00 23.06 C ATOM 986 CD GLU A 138 -11.246 51.182 -6.156 1.00 26.14 C ATOM 987 OE1 GLU A 138 -11.453 50.785 -7.328 1.00 29.46 O ATOM 988 OE2 GLU A 138 -11.924 50.806 -5.178 1.00 29.17 O ATOM 0 H GLU A 138 -7.414 51.053 -4.918 1.00 18.54 H new ATOM 0 HA GLU A 138 -8.121 53.578 -5.021 1.00 19.02 H new ATOM 0 HB2 GLU A 138 -9.549 51.281 -4.172 1.00 19.58 H new ATOM 0 HB3 GLU A 138 -10.194 52.683 -3.947 1.00 19.58 H new ATOM 0 HG2 GLU A 138 -10.432 53.058 -6.166 1.00 23.06 H new ATOM 0 HG3 GLU A 138 -9.394 51.958 -6.543 1.00 23.06 H new ATOM 989 N ARG A 139 -7.158 52.603 -2.224 1.00 15.98 N ATOM 990 CA ARG A 139 -6.958 52.913 -0.808 1.00 15.72 C ATOM 991 C ARG A 139 -5.511 53.197 -0.417 1.00 14.41 C ATOM 992 O ARG A 139 -5.276 53.708 0.672 1.00 15.38 O ATOM 993 CB ARG A 139 -7.479 51.771 0.083 1.00 15.90 C ATOM 994 CG ARG A 139 -8.946 51.419 -0.147 1.00 17.61 C ATOM 995 CD ARG A 139 -9.647 50.856 1.055 1.00 19.22 C ATOM 996 NE ARG A 139 -8.884 49.849 1.792 1.00 18.24 N ATOM 997 CZ ARG A 139 -8.738 48.577 1.437 1.00 19.58 C ATOM 998 NH1 ARG A 139 -9.279 48.105 0.328 1.00 20.03 N ATOM 999 NH2 ARG A 139 -8.053 47.764 2.218 1.00 17.81 N ATOM 0 H ARG A 139 -6.706 51.926 -2.500 1.00 15.98 H new ATOM 0 HA ARG A 139 -7.462 53.730 -0.667 1.00 15.72 H new ATOM 0 HB2 ARG A 139 -6.939 50.981 -0.073 1.00 15.90 H new ATOM 0 HB3 ARG A 139 -7.358 52.019 1.013 1.00 15.90 H new ATOM 0 HG2 ARG A 139 -9.416 52.216 -0.438 1.00 17.61 H new ATOM 0 HG3 ARG A 139 -9.003 50.776 -0.871 1.00 17.61 H new ATOM 0 HD2 ARG A 139 -9.865 51.584 1.658 1.00 19.22 H new ATOM 0 HD3 ARG A 139 -10.487 50.463 0.770 1.00 19.22 H new ATOM 0 HE ARG A 139 -8.497 50.102 2.517 1.00 18.24 H new ATOM 0 HH11 ARG A 139 -9.737 48.624 -0.182 1.00 20.03 H new ATOM 0 HH12 ARG A 139 -9.173 47.278 0.116 1.00 20.03 H new ATOM 0 HH21 ARG A 139 -7.707 48.059 2.948 1.00 17.81 H new ATOM 0 HH22 ARG A 139 -7.953 46.939 1.997 1.00 17.81 H new ATOM 1000 N TYR A 140 -4.558 52.834 -1.278 1.00 13.72 N ATOM 1001 CA TYR A 140 -3.119 52.972 -0.978 1.00 13.67 C ATOM 1002 C TYR A 140 -2.369 53.641 -2.114 1.00 13.92 C ATOM 1003 O TYR A 140 -2.635 53.364 -3.277 1.00 14.53 O ATOM 1004 CB TYR A 140 -2.480 51.602 -0.738 1.00 13.36 C ATOM 1005 CG TYR A 140 -3.023 50.876 0.457 1.00 12.10 C ATOM 1006 CD1 TYR A 140 -2.601 51.189 1.738 1.00 11.20 C ATOM 1007 CD2 TYR A 140 -3.979 49.878 0.312 1.00 13.44 C ATOM 1008 CE1 TYR A 140 -3.090 50.524 2.844 1.00 11.95 C ATOM 1009 CE2 TYR A 140 -4.477 49.215 1.406 1.00 13.18 C ATOM 1010 CZ TYR A 140 -4.047 49.531 2.665 1.00 13.06 C ATOM 1011 OH TYR A 140 -4.554 48.845 3.734 1.00 13.65 O ATOM 0 H TYR A 140 -4.722 52.500 -2.053 1.00 13.72 H new ATOM 0 HA TYR A 140 -3.056 53.521 -0.181 1.00 13.67 H new ATOM 0 HB2 TYR A 140 -2.611 51.052 -1.526 1.00 13.36 H new ATOM 0 HB3 TYR A 140 -1.523 51.717 -0.628 1.00 13.36 H new ATOM 0 HD1 TYR A 140 -1.972 51.864 1.856 1.00 11.20 H new ATOM 0 HD2 TYR A 140 -4.286 49.656 -0.538 1.00 13.44 H new ATOM 0 HE1 TYR A 140 -2.784 50.737 3.696 1.00 11.95 H new ATOM 0 HE2 TYR A 140 -5.112 48.545 1.290 1.00 13.18 H new ATOM 0 HH TYR A 140 -5.118 48.284 3.465 1.00 13.65 H new ATOM 1012 N VAL A 141 -1.431 54.521 -1.766 1.00 14.36 N ATOM 1013 CA VAL A 141 -0.504 55.097 -2.732 1.00 14.50 C ATOM 1014 C VAL A 141 0.938 54.883 -2.300 1.00 13.86 C ATOM 1015 O VAL A 141 1.246 54.797 -1.117 1.00 14.13 O ATOM 1016 CB VAL A 141 -0.727 56.616 -2.970 1.00 15.48 C ATOM 1017 CG1 VAL A 141 -2.105 56.836 -3.581 1.00 16.63 C ATOM 1018 CG2 VAL A 141 -0.559 57.392 -1.690 1.00 16.49 C ATOM 0 H VAL A 141 -1.316 54.800 -0.961 1.00 14.36 H new ATOM 0 HA VAL A 141 -0.681 54.633 -3.565 1.00 14.50 H new ATOM 0 HB VAL A 141 -0.057 56.944 -3.590 1.00 15.48 H new ATOM 0 HG11 VAL A 141 -2.245 57.784 -3.730 1.00 16.63 H new ATOM 0 HG12 VAL A 141 -2.163 56.364 -4.426 1.00 16.63 H new ATOM 0 HG13 VAL A 141 -2.785 56.500 -2.976 1.00 16.63 H new ATOM 0 HG21 VAL A 141 -0.702 58.336 -1.862 1.00 16.49 H new ATOM 0 HG22 VAL A 141 -1.204 57.081 -1.036 1.00 16.49 H new ATOM 0 HG23 VAL A 141 0.338 57.259 -1.346 1.00 16.49 H new ATOM 1019 N GLN A 142 1.808 54.811 -3.291 1.00 14.33 N ATOM 1020 CA GLN A 142 3.244 54.934 -3.072 1.00 14.38 C ATOM 1021 C GLN A 142 3.527 56.300 -2.458 1.00 15.14 C ATOM 1022 O GLN A 142 2.749 57.239 -2.626 1.00 14.74 O ATOM 1023 CB GLN A 142 3.989 54.795 -4.399 1.00 14.45 C ATOM 1024 CG GLN A 142 3.821 53.416 -5.050 1.00 15.56 C ATOM 1025 CD GLN A 142 4.263 53.392 -6.503 1.00 17.08 C ATOM 1026 OE1 GLN A 142 5.309 53.943 -6.846 1.00 18.04 O ATOM 1027 NE2 GLN A 142 3.471 52.749 -7.359 1.00 18.30 N ATOM 0 H GLN A 142 1.586 54.689 -4.113 1.00 14.33 H new ATOM 0 HA GLN A 142 3.547 54.233 -2.474 1.00 14.38 H new ATOM 0 HB2 GLN A 142 3.672 55.476 -5.013 1.00 14.45 H new ATOM 0 HB3 GLN A 142 4.933 54.963 -4.252 1.00 14.45 H new ATOM 0 HG2 GLN A 142 4.334 52.762 -4.550 1.00 15.56 H new ATOM 0 HG3 GLN A 142 2.890 53.148 -4.995 1.00 15.56 H new ATOM 0 HE21 GLN A 142 2.748 52.377 -7.079 1.00 18.30 H new ATOM 0 HE22 GLN A 142 3.683 52.706 -8.191 1.00 18.30 H new ATOM 1028 N VAL A 143 4.630 56.422 -1.739 1.00 15.24 N ATOM 1029 CA VAL A 143 4.956 57.706 -1.121 1.00 16.61 C ATOM 1030 C VAL A 143 5.216 58.823 -2.147 1.00 17.58 C ATOM 1031 O VAL A 143 5.162 60.011 -1.796 1.00 18.09 O ATOM 1032 CB VAL A 143 6.116 57.603 -0.115 1.00 16.61 C ATOM 1033 CG1 VAL A 143 5.645 56.903 1.154 1.00 16.89 C ATOM 1034 CG2 VAL A 143 7.353 56.917 -0.730 1.00 17.72 C ATOM 0 H VAL A 143 5.196 55.791 -1.595 1.00 15.24 H new ATOM 0 HA VAL A 143 4.160 57.956 -0.625 1.00 16.61 H new ATOM 0 HB VAL A 143 6.396 58.501 0.121 1.00 16.61 H new ATOM 0 HG11 VAL A 143 6.381 56.842 1.782 1.00 16.89 H new ATOM 0 HG12 VAL A 143 4.921 57.410 1.553 1.00 16.89 H new ATOM 0 HG13 VAL A 143 5.333 56.011 0.935 1.00 16.89 H new ATOM 0 HG21 VAL A 143 8.060 56.871 -0.068 1.00 17.72 H new ATOM 0 HG22 VAL A 143 7.118 56.020 -1.014 1.00 17.72 H new ATOM 0 HG23 VAL A 143 7.660 57.428 -1.495 1.00 17.72 H new ATOM 1035 N ASN A 144 5.494 58.458 -3.392 1.00 18.64 N ATOM 1036 CA ASN A 144 5.582 59.435 -4.486 1.00 20.07 C ATOM 1037 C ASN A 144 4.222 59.879 -5.041 1.00 20.34 C ATOM 1038 O ASN A 144 4.157 60.787 -5.878 1.00 21.00 O ATOM 1039 CB ASN A 144 6.457 58.888 -5.620 1.00 20.70 C ATOM 1040 CG ASN A 144 5.932 57.592 -6.179 1.00 22.39 C ATOM 1041 OD1 ASN A 144 4.885 57.572 -6.809 1.00 25.70 O ATOM 1042 ND2 ASN A 144 6.643 56.491 -5.922 1.00 25.25 N ATOM 0 H ASN A 144 5.637 57.645 -3.632 1.00 18.64 H new ATOM 0 HA ASN A 144 5.988 60.227 -4.100 1.00 20.07 H new ATOM 0 HB2 ASN A 144 6.509 59.546 -6.331 1.00 20.70 H new ATOM 0 HB3 ASN A 144 7.360 58.753 -5.292 1.00 20.70 H new ATOM 0 HD21 ASN A 144 6.368 55.726 -6.204 1.00 25.25 H new ATOM 0 HD22 ASN A 144 7.375 56.547 -5.475 1.00 25.25 H new ATOM 1043 N GLY A 145 3.145 59.239 -4.586 1.00 19.79 N ATOM 1044 CA GLY A 145 1.784 59.582 -4.981 1.00 19.74 C ATOM 1045 C GLY A 145 1.099 58.640 -5.963 1.00 19.95 C ATOM 1046 O GLY A 145 -0.114 58.713 -6.128 1.00 20.53 O ATOM 0 H GLY A 145 3.188 58.584 -4.031 1.00 19.79 H new ATOM 0 HA2 GLY A 145 1.240 59.632 -4.180 1.00 19.74 H new ATOM 0 HA3 GLY A 145 1.797 60.470 -5.372 1.00 19.74 H new ATOM 1047 N THR A 146 1.851 57.759 -6.610 1.00 19.50 N ATOM 1048 CA THR A 146 1.266 56.855 -7.593 1.00 19.84 C ATOM 1049 C THR A 146 0.465 55.755 -6.886 1.00 19.56 C ATOM 1050 O THR A 146 1.014 55.091 -6.008 1.00 18.90 O ATOM 1051 CB THR A 146 2.368 56.208 -8.436 1.00 20.06 C ATOM 1052 OG1 THR A 146 3.127 57.214 -9.127 1.00 21.66 O ATOM 1053 CG2 THR A 146 1.764 55.362 -9.553 1.00 20.79 C ATOM 0 H THR A 146 2.699 57.668 -6.496 1.00 19.50 H new ATOM 0 HA THR A 146 0.677 57.367 -8.169 1.00 19.84 H new ATOM 0 HB THR A 146 2.910 55.684 -7.825 1.00 20.06 H new ATOM 0 HG1 THR A 146 3.740 57.496 -8.627 1.00 21.66 H new ATOM 0 HG21 THR A 146 2.475 54.961 -10.076 1.00 20.79 H new ATOM 0 HG22 THR A 146 1.213 54.663 -9.168 1.00 20.79 H new ATOM 0 HG23 THR A 146 1.219 55.924 -10.126 1.00 20.79 H new ATOM 1054 N PRO A 147 -0.808 55.557 -7.235 1.00 18.98 N ATOM 1055 CA PRO A 147 -1.580 54.461 -6.632 1.00 18.65 C ATOM 1056 C PRO A 147 -1.035 53.061 -6.954 1.00 18.04 C ATOM 1057 O PRO A 147 -0.466 52.818 -8.015 1.00 18.20 O ATOM 1058 CB PRO A 147 -2.995 54.656 -7.199 1.00 18.76 C ATOM 1059 CG PRO A 147 -3.037 56.097 -7.640 1.00 19.29 C ATOM 1060 CD PRO A 147 -1.649 56.393 -8.125 1.00 19.42 C ATOM 0 HA PRO A 147 -1.540 54.499 -5.664 1.00 18.65 H new ATOM 0 HB2 PRO A 147 -3.163 54.055 -7.942 1.00 18.76 H new ATOM 0 HB3 PRO A 147 -3.671 54.473 -6.528 1.00 18.76 H new ATOM 0 HG2 PRO A 147 -3.691 56.230 -8.344 1.00 19.29 H new ATOM 0 HG3 PRO A 147 -3.286 56.682 -6.907 1.00 19.29 H new ATOM 0 HD2 PRO A 147 -1.535 56.154 -9.058 1.00 19.42 H new ATOM 0 HD3 PRO A 147 -1.433 57.335 -8.045 1.00 19.42 H new ATOM 1061 N GLY A 148 -1.207 52.144 -6.008 1.00 18.39 N ATOM 1062 CA GLY A 148 -0.924 50.749 -6.254 1.00 18.07 C ATOM 1063 C GLY A 148 0.538 50.363 -6.125 1.00 18.17 C ATOM 1064 O GLY A 148 1.379 51.177 -5.731 1.00 17.93 O ATOM 0 H GLY A 148 -1.489 52.317 -5.214 1.00 18.39 H new ATOM 0 HA2 GLY A 148 -1.443 50.213 -5.634 1.00 18.07 H new ATOM 0 HA3 GLY A 148 -1.227 50.523 -7.147 1.00 18.07 H new ATOM 1065 N PRO A 149 0.851 49.122 -6.483 1.00 17.96 N ATOM 1066 CA PRO A 149 2.191 48.566 -6.255 1.00 17.54 C ATOM 1067 C PRO A 149 3.307 49.143 -7.139 1.00 18.04 C ATOM 1068 O PRO A 149 3.087 49.401 -8.316 1.00 18.47 O ATOM 1069 CB PRO A 149 1.997 47.075 -6.568 1.00 17.96 C ATOM 1070 CG PRO A 149 0.883 47.038 -7.535 1.00 17.70 C ATOM 1071 CD PRO A 149 -0.048 48.142 -7.120 1.00 17.90 C ATOM 0 HA PRO A 149 2.491 48.774 -5.356 1.00 17.54 H new ATOM 0 HB2 PRO A 149 2.802 46.686 -6.943 1.00 17.96 H new ATOM 0 HB3 PRO A 149 1.785 46.571 -5.767 1.00 17.96 H new ATOM 0 HG2 PRO A 149 1.203 47.173 -8.441 1.00 17.70 H new ATOM 0 HG3 PRO A 149 0.434 46.178 -7.518 1.00 17.70 H new ATOM 0 HD2 PRO A 149 -0.512 48.524 -7.881 1.00 17.90 H new ATOM 0 HD3 PRO A 149 -0.727 47.825 -6.504 1.00 17.90 H new ATOM 1072 N ASP A 150 4.487 49.327 -6.553 1.00 18.61 N ATOM 1073 CA ASP A 150 5.667 49.751 -7.299 1.00 19.35 C ATOM 1074 C ASP A 150 6.366 48.529 -7.911 1.00 19.83 C ATOM 1075 O ASP A 150 5.929 47.398 -7.711 1.00 19.23 O ATOM 1076 CB ASP A 150 6.604 50.630 -6.446 1.00 19.43 C ATOM 1077 CG ASP A 150 7.190 49.925 -5.233 1.00 20.65 C ATOM 1078 OD1 ASP A 150 7.280 48.663 -5.176 1.00 17.44 O ATOM 1079 OD2 ASP A 150 7.623 50.601 -4.270 1.00 20.42 O ATOM 0 H ASP A 150 4.625 49.210 -5.712 1.00 18.61 H new ATOM 0 HA ASP A 150 5.387 50.320 -8.033 1.00 19.35 H new ATOM 0 HB2 ASP A 150 7.330 50.947 -7.005 1.00 19.43 H new ATOM 0 HB3 ASP A 150 6.114 51.412 -6.147 1.00 19.43 H new ATOM 1080 N GLU A 151 7.424 48.768 -8.674 1.00 20.42 N ATOM 1081 CA GLU A 151 8.097 47.701 -9.409 1.00 21.09 C ATOM 1082 C GLU A 151 8.684 46.640 -8.488 1.00 20.68 C ATOM 1083 O GLU A 151 8.656 45.454 -8.802 1.00 21.20 O ATOM 1084 CB GLU A 151 9.183 48.293 -10.327 1.00 21.65 C ATOM 1085 CG GLU A 151 9.981 47.259 -11.122 1.00 25.01 C ATOM 1086 CD GLU A 151 9.165 46.539 -12.194 1.00 29.20 C ATOM 1087 OE1 GLU A 151 9.752 45.674 -12.879 1.00 33.42 O ATOM 1088 OE2 GLU A 151 7.952 46.816 -12.366 1.00 33.32 O ATOM 0 H GLU A 151 7.772 49.547 -8.781 1.00 20.42 H new ATOM 0 HA GLU A 151 7.428 47.257 -9.953 1.00 21.09 H new ATOM 0 HB2 GLU A 151 8.763 48.908 -10.949 1.00 21.65 H new ATOM 0 HB3 GLU A 151 9.798 48.812 -9.786 1.00 21.65 H new ATOM 0 HG2 GLU A 151 10.735 47.700 -11.544 1.00 25.01 H new ATOM 0 HG3 GLU A 151 10.344 46.601 -10.508 1.00 25.01 H new ATOM 1089 N THR A 152 9.213 47.068 -7.350 1.00 20.08 N ATOM 1090 CA THR A 152 9.767 46.157 -6.363 1.00 19.80 C ATOM 1091 C THR A 152 8.696 45.197 -5.854 1.00 18.69 C ATOM 1092 O THR A 152 8.924 44.010 -5.755 1.00 18.16 O ATOM 1093 CB THR A 152 10.377 46.965 -5.208 1.00 20.28 C ATOM 1094 OG1 THR A 152 11.570 47.609 -5.678 1.00 22.33 O ATOM 1095 CG2 THR A 152 10.852 46.082 -4.083 1.00 21.56 C ATOM 0 H THR A 152 9.260 47.898 -7.129 1.00 20.08 H new ATOM 0 HA THR A 152 10.465 45.624 -6.776 1.00 19.80 H new ATOM 0 HB THR A 152 9.688 47.575 -4.902 1.00 20.28 H new ATOM 0 HG1 THR A 152 11.952 47.994 -5.037 1.00 22.33 H new ATOM 0 HG21 THR A 152 11.229 46.631 -3.377 1.00 21.56 H new ATOM 0 HG22 THR A 152 10.104 45.574 -3.732 1.00 21.56 H new ATOM 0 HG23 THR A 152 11.530 45.472 -4.414 1.00 21.56 H new ATOM 1096 N THR A 153 7.520 45.722 -5.543 1.00 18.32 N ATOM 1097 CA THR A 153 6.412 44.882 -5.098 1.00 17.13 C ATOM 1098 C THR A 153 5.987 43.894 -6.195 1.00 18.07 C ATOM 1099 O THR A 153 5.751 42.711 -5.926 1.00 17.59 O ATOM 1100 CB THR A 153 5.238 45.780 -4.680 1.00 16.76 C ATOM 1101 OG1 THR A 153 5.611 46.495 -3.499 1.00 13.81 O ATOM 1102 CG2 THR A 153 4.028 44.954 -4.258 1.00 16.60 C ATOM 0 H THR A 153 7.340 46.562 -5.582 1.00 18.32 H new ATOM 0 HA THR A 153 6.700 44.355 -4.336 1.00 17.13 H new ATOM 0 HB THR A 153 5.027 46.350 -5.436 1.00 16.76 H new ATOM 0 HG1 THR A 153 5.547 45.988 -2.832 1.00 13.81 H new ATOM 0 HG21 THR A 153 3.305 45.547 -4.000 1.00 16.60 H new ATOM 0 HG22 THR A 153 3.741 44.398 -4.999 1.00 16.60 H new ATOM 0 HG23 THR A 153 4.267 44.391 -3.505 1.00 16.60 H new ATOM 1103 N LEU A 154 5.905 44.381 -7.427 1.00 18.22 N ATOM 1104 CA LEU A 154 5.477 43.560 -8.551 1.00 19.55 C ATOM 1105 C LEU A 154 6.411 42.380 -8.799 1.00 19.93 C ATOM 1106 O LEU A 154 5.972 41.301 -9.213 1.00 20.94 O ATOM 1107 CB LEU A 154 5.332 44.413 -9.819 1.00 19.99 C ATOM 1108 CG LEU A 154 4.097 45.312 -9.823 1.00 21.97 C ATOM 1109 CD1 LEU A 154 4.207 46.398 -10.892 1.00 23.86 C ATOM 1110 CD2 LEU A 154 2.812 44.509 -10.017 1.00 22.32 C ATOM 0 H LEU A 154 6.095 45.194 -7.634 1.00 18.22 H new ATOM 0 HA LEU A 154 4.610 43.191 -8.320 1.00 19.55 H new ATOM 0 HB2 LEU A 154 6.123 44.965 -9.919 1.00 19.99 H new ATOM 0 HB3 LEU A 154 5.296 43.826 -10.591 1.00 19.99 H new ATOM 0 HG LEU A 154 4.055 45.738 -8.953 1.00 21.97 H new ATOM 0 HD11 LEU A 154 3.412 46.953 -10.873 1.00 23.86 H new ATOM 0 HD12 LEU A 154 4.988 46.946 -10.717 1.00 23.86 H new ATOM 0 HD13 LEU A 154 4.291 45.985 -11.766 1.00 23.86 H new ATOM 0 HD21 LEU A 154 2.051 45.110 -10.014 1.00 22.32 H new ATOM 0 HD22 LEU A 154 2.849 44.039 -10.865 1.00 22.32 H new ATOM 0 HD23 LEU A 154 2.719 43.867 -9.295 1.00 22.32 H new ATOM 1111 N THR A 155 7.693 42.582 -8.529 1.00 20.20 N ATOM 1112 CA THR A 155 8.698 41.579 -8.837 1.00 20.74 C ATOM 1113 C THR A 155 9.147 40.728 -7.647 1.00 20.74 C ATOM 1114 O THR A 155 9.867 39.751 -7.865 1.00 22.68 O ATOM 1115 CB THR A 155 9.933 42.253 -9.514 1.00 20.84 C ATOM 1116 OG1 THR A 155 10.490 43.266 -8.663 1.00 21.98 O ATOM 1117 CG2 THR A 155 9.522 43.000 -10.794 1.00 21.99 C ATOM 0 H THR A 155 8.002 43.298 -8.166 1.00 20.20 H new ATOM 0 HA THR A 155 8.268 40.959 -9.446 1.00 20.74 H new ATOM 0 HB THR A 155 10.563 41.539 -9.697 1.00 20.84 H new ATOM 0 HG1 THR A 155 9.982 43.935 -8.654 1.00 21.98 H new ATOM 0 HG21 THR A 155 10.304 43.409 -11.195 1.00 21.99 H new ATOM 0 HG22 THR A 155 9.127 42.374 -11.421 1.00 21.99 H new ATOM 0 HG23 THR A 155 8.875 43.688 -10.574 1.00 21.99 H new ATOM 1118 N THR A 156 8.743 41.068 -6.413 1.00 19.95 N ATOM 1119 CA THR A 156 9.187 40.346 -5.208 1.00 18.99 C ATOM 1120 C THR A 156 8.103 39.951 -4.207 1.00 18.11 C ATOM 1121 O THR A 156 8.350 39.102 -3.347 1.00 18.17 O ATOM 1122 CB THR A 156 10.255 41.136 -4.407 1.00 19.62 C ATOM 1123 OG1 THR A 156 9.659 42.247 -3.724 1.00 19.12 O ATOM 1124 CG2 THR A 156 11.326 41.764 -5.316 1.00 20.11 C ATOM 0 H THR A 156 8.206 41.721 -6.252 1.00 19.95 H new ATOM 0 HA THR A 156 9.542 39.531 -5.597 1.00 18.99 H new ATOM 0 HB THR A 156 10.647 40.488 -3.801 1.00 19.62 H new ATOM 0 HG1 THR A 156 9.401 42.816 -4.286 1.00 19.12 H new ATOM 0 HG21 THR A 156 11.969 42.246 -4.773 1.00 20.11 H new ATOM 0 HG22 THR A 156 11.781 41.065 -5.811 1.00 20.11 H new ATOM 0 HG23 THR A 156 10.904 42.378 -5.937 1.00 20.11 H new ATOM 1125 N GLY A 157 6.951 40.615 -4.251 1.00 16.04 N ATOM 1126 CA GLY A 157 5.943 40.455 -3.222 1.00 15.02 C ATOM 1127 C GLY A 157 6.335 40.940 -1.835 1.00 13.74 C ATOM 1128 O GLY A 157 5.671 40.636 -0.855 1.00 13.05 O ATOM 0 H GLY A 157 6.737 41.166 -4.876 1.00 16.04 H new ATOM 0 HA2 GLY A 157 5.144 40.929 -3.499 1.00 15.02 H new ATOM 0 HA3 GLY A 157 5.709 39.515 -3.164 1.00 15.02 H new ATOM 1129 N ASP A 158 7.423 41.715 -1.747 1.00 13.40 N ATOM 1130 CA ASP A 158 7.890 42.291 -0.504 1.00 13.41 C ATOM 1131 C ASP A 158 8.121 41.290 0.619 1.00 13.33 C ATOM 1132 O ASP A 158 7.902 41.578 1.791 1.00 13.16 O ATOM 1133 CB ASP A 158 6.922 43.395 -0.061 1.00 13.26 C ATOM 1134 CG ASP A 158 6.855 44.514 -1.065 1.00 14.87 C ATOM 1135 OD1 ASP A 158 7.937 44.944 -1.552 1.00 14.86 O ATOM 1136 OD2 ASP A 158 5.778 45.002 -1.457 1.00 14.58 O ATOM 0 H ASP A 158 7.911 41.918 -2.425 1.00 13.40 H new ATOM 0 HA ASP A 158 8.769 42.659 -0.688 1.00 13.41 H new ATOM 0 HB2 ASP A 158 6.037 43.018 0.063 1.00 13.26 H new ATOM 0 HB3 ASP A 158 7.204 43.747 0.798 1.00 13.26 H new ATOM 1137 N ALA A 159 8.613 40.106 0.253 1.00 13.36 N ATOM 1138 CA ALA A 159 8.736 39.033 1.224 1.00 13.78 C ATOM 1139 C ALA A 159 10.029 39.091 2.055 1.00 13.87 C ATOM 1140 O ALA A 159 10.236 38.271 2.928 1.00 14.80 O ATOM 1141 CB ALA A 159 8.582 37.676 0.522 1.00 13.38 C ATOM 0 H ALA A 159 8.876 39.910 -0.542 1.00 13.36 H new ATOM 0 HA ALA A 159 8.018 39.150 1.865 1.00 13.78 H new ATOM 0 HB1 ALA A 159 8.665 36.963 1.174 1.00 13.38 H new ATOM 0 HB2 ALA A 159 7.710 37.627 0.099 1.00 13.38 H new ATOM 0 HB3 ALA A 159 9.273 37.580 -0.151 1.00 13.38 H new ATOM 1142 N GLY A 160 10.884 40.074 1.798 1.00 14.85 N ATOM 1143 CA GLY A 160 12.023 40.311 2.665 1.00 14.95 C ATOM 1144 C GLY A 160 13.190 39.382 2.396 1.00 14.64 C ATOM 1145 O GLY A 160 13.361 38.891 1.280 1.00 15.14 O ATOM 0 H GLY A 160 10.821 40.611 1.129 1.00 14.85 H new ATOM 0 HA2 GLY A 160 12.318 41.229 2.557 1.00 14.95 H new ATOM 0 HA3 GLY A 160 11.744 40.210 3.589 1.00 14.95 H new ATOM 1146 N LYS A 161 13.984 39.148 3.433 1.00 14.10 N ATOM 1147 CA LYS A 161 15.273 38.474 3.291 1.00 14.04 C ATOM 1148 C LYS A 161 15.075 37.008 2.952 1.00 12.36 C ATOM 1149 O LYS A 161 13.983 36.459 3.098 1.00 13.01 O ATOM 1150 CB LYS A 161 16.103 38.601 4.570 1.00 14.77 C ATOM 1151 CG LYS A 161 16.563 40.038 4.955 1.00 19.03 C ATOM 1152 CD LYS A 161 17.095 40.869 3.803 1.00 23.60 C ATOM 1153 CE LYS A 161 17.557 42.295 4.280 1.00 25.83 C ATOM 1154 NZ LYS A 161 18.041 42.302 5.691 1.00 26.07 N ATOM 0 H LYS A 161 13.793 39.375 4.240 1.00 14.10 H new ATOM 0 HA LYS A 161 15.753 38.905 2.566 1.00 14.04 H new ATOM 0 HB2 LYS A 161 15.585 38.240 5.306 1.00 14.77 H new ATOM 0 HB3 LYS A 161 16.891 38.044 4.478 1.00 14.77 H new ATOM 0 HG2 LYS A 161 15.814 40.507 5.356 1.00 19.03 H new ATOM 0 HG3 LYS A 161 17.252 39.972 5.634 1.00 19.03 H new ATOM 0 HD2 LYS A 161 17.841 40.408 3.389 1.00 23.60 H new ATOM 0 HD3 LYS A 161 16.407 40.961 3.125 1.00 23.60 H new ATOM 0 HE2 LYS A 161 18.265 42.613 3.698 1.00 25.83 H new ATOM 0 HE3 LYS A 161 16.817 42.916 4.193 1.00 25.83 H new ATOM 0 HZ1 LYS A 161 18.449 43.074 5.861 1.00 26.07 H new ATOM 0 HZ2 LYS A 161 17.350 42.204 6.243 1.00 26.07 H new ATOM 0 HZ3 LYS A 161 18.614 41.631 5.812 1.00 26.07 H new ATOM 1155 N ARG A 162 16.146 36.407 2.468 1.00 10.34 N ATOM 1156 CA ARG A 162 16.167 35.004 2.069 1.00 9.70 C ATOM 1157 C ARG A 162 16.767 34.196 3.200 1.00 9.74 C ATOM 1158 O ARG A 162 17.935 34.380 3.546 1.00 9.74 O ATOM 1159 CB ARG A 162 16.956 34.846 0.766 1.00 9.27 C ATOM 1160 CG ARG A 162 16.437 35.782 -0.334 1.00 10.31 C ATOM 1161 CD ARG A 162 17.296 35.861 -1.585 1.00 10.12 C ATOM 1162 NE ARG A 162 16.753 36.840 -2.519 1.00 11.23 N ATOM 1163 CZ ARG A 162 17.049 36.929 -3.811 1.00 10.96 C ATOM 1164 NH1 ARG A 162 17.922 36.097 -4.373 1.00 11.35 N ATOM 1165 NH2 ARG A 162 16.476 37.888 -4.539 1.00 10.82 N ATOM 0 H ARG A 162 16.899 36.807 2.358 1.00 10.34 H new ATOM 0 HA ARG A 162 15.269 34.679 1.899 1.00 9.70 H new ATOM 0 HB2 ARG A 162 17.894 35.031 0.932 1.00 9.27 H new ATOM 0 HB3 ARG A 162 16.897 33.927 0.462 1.00 9.27 H new ATOM 0 HG2 ARG A 162 15.547 35.493 -0.589 1.00 10.31 H new ATOM 0 HG3 ARG A 162 16.350 36.674 0.037 1.00 10.31 H new ATOM 0 HD2 ARG A 162 18.204 36.104 -1.345 1.00 10.12 H new ATOM 0 HD3 ARG A 162 17.338 34.990 -2.010 1.00 10.12 H new ATOM 0 HE ARG A 162 16.191 37.411 -2.206 1.00 11.23 H new ATOM 0 HH11 ARG A 162 18.304 35.490 -3.899 1.00 11.35 H new ATOM 0 HH12 ARG A 162 18.104 36.166 -5.211 1.00 11.35 H new ATOM 0 HH21 ARG A 162 15.925 38.436 -4.171 1.00 10.82 H new ATOM 0 HH22 ARG A 162 16.658 37.958 -5.377 1.00 10.82 H new ATOM 1166 N VAL A 163 15.941 33.340 3.816 1.00 9.78 N ATOM 1167 CA VAL A 163 16.337 32.609 5.021 1.00 9.84 C ATOM 1168 C VAL A 163 16.719 31.147 4.791 1.00 9.09 C ATOM 1169 O VAL A 163 17.288 30.511 5.685 1.00 10.44 O ATOM 1170 CB VAL A 163 15.275 32.702 6.160 1.00 9.87 C ATOM 1171 CG1 VAL A 163 15.035 34.153 6.526 1.00 11.62 C ATOM 1172 CG2 VAL A 163 13.969 32.027 5.788 1.00 11.08 C ATOM 0 H VAL A 163 15.142 33.170 3.547 1.00 9.78 H new ATOM 0 HA VAL A 163 17.145 33.067 5.301 1.00 9.84 H new ATOM 0 HB VAL A 163 15.630 32.228 6.928 1.00 9.87 H new ATOM 0 HG11 VAL A 163 14.374 34.203 7.234 1.00 11.62 H new ATOM 0 HG12 VAL A 163 15.865 34.552 6.830 1.00 11.62 H new ATOM 0 HG13 VAL A 163 14.712 34.634 5.748 1.00 11.62 H new ATOM 0 HG21 VAL A 163 13.341 32.109 6.523 1.00 11.08 H new ATOM 0 HG22 VAL A 163 13.599 32.451 4.998 1.00 11.08 H new ATOM 0 HG23 VAL A 163 14.130 31.088 5.605 1.00 11.08 H new ATOM 1173 N ALA A 164 16.363 30.594 3.633 1.00 9.14 N ATOM 1174 CA ALA A 164 16.784 29.238 3.262 1.00 8.03 C ATOM 1175 C ALA A 164 16.792 29.144 1.746 1.00 8.81 C ATOM 1176 O ALA A 164 15.969 29.761 1.085 1.00 8.44 O ATOM 1177 CB ALA A 164 15.839 28.179 3.847 1.00 8.89 C ATOM 0 H ALA A 164 15.876 30.987 3.044 1.00 9.14 H new ATOM 0 HA ALA A 164 17.669 29.068 3.621 1.00 8.03 H new ATOM 0 HB1 ALA A 164 16.142 27.295 3.586 1.00 8.89 H new ATOM 0 HB2 ALA A 164 15.836 28.247 4.815 1.00 8.89 H new ATOM 0 HB3 ALA A 164 14.941 28.325 3.511 1.00 8.89 H new ATOM 1178 N CYS A 165 17.685 28.329 1.215 1.00 8.20 N ATOM 1179 CA CYS A 165 17.893 28.242 -0.217 1.00 8.34 C ATOM 1180 C CYS A 165 18.369 26.853 -0.576 1.00 8.97 C ATOM 1181 O CYS A 165 19.211 26.292 0.133 1.00 8.58 O ATOM 1182 CB CYS A 165 18.985 29.258 -0.589 1.00 8.40 C ATOM 1183 SG CYS A 165 19.403 29.386 -2.365 1.00 9.70 S ATOM 0 H CYS A 165 18.190 27.808 1.677 1.00 8.20 H new ATOM 0 HA CYS A 165 17.068 28.427 -0.693 1.00 8.34 H new ATOM 0 HB2 CYS A 165 18.705 30.133 -0.278 1.00 8.40 H new ATOM 0 HB3 CYS A 165 19.792 29.029 -0.102 1.00 8.40 H new ATOM 1184 N GLY A 166 17.834 26.300 -1.665 1.00 8.99 N ATOM 1185 CA GLY A 166 18.352 25.067 -2.224 1.00 9.68 C ATOM 1186 C GLY A 166 18.392 25.155 -3.726 1.00 9.66 C ATOM 1187 O GLY A 166 17.532 25.764 -4.342 1.00 10.95 O ATOM 0 H GLY A 166 17.166 26.631 -2.093 1.00 8.99 H new ATOM 0 HA2 GLY A 166 19.243 24.897 -1.879 1.00 9.68 H new ATOM 0 HA3 GLY A 166 17.795 24.321 -1.952 1.00 9.68 H new ATOM 1188 N VAL A 167 19.409 24.559 -4.322 1.00 9.81 N ATOM 1189 CA VAL A 167 19.495 24.502 -5.767 1.00 9.48 C ATOM 1190 C VAL A 167 18.595 23.354 -6.226 1.00 9.40 C ATOM 1191 O VAL A 167 18.607 22.269 -5.618 1.00 8.77 O ATOM 1192 CB VAL A 167 20.952 24.263 -6.225 1.00 10.16 C ATOM 1193 CG1 VAL A 167 21.048 24.123 -7.728 1.00 11.26 C ATOM 1194 CG2 VAL A 167 21.856 25.415 -5.736 1.00 11.28 C ATOM 0 H VAL A 167 20.061 24.181 -3.907 1.00 9.81 H new ATOM 0 HA VAL A 167 19.209 25.343 -6.156 1.00 9.48 H new ATOM 0 HB VAL A 167 21.255 23.429 -5.832 1.00 10.16 H new ATOM 0 HG11 VAL A 167 21.973 23.975 -7.981 1.00 11.26 H new ATOM 0 HG12 VAL A 167 20.509 23.371 -8.018 1.00 11.26 H new ATOM 0 HG13 VAL A 167 20.724 24.934 -8.150 1.00 11.26 H new ATOM 0 HG21 VAL A 167 22.768 25.257 -6.027 1.00 11.28 H new ATOM 0 HG22 VAL A 167 21.539 26.254 -6.106 1.00 11.28 H new ATOM 0 HG23 VAL A 167 21.830 25.458 -4.767 1.00 11.28 H new ATOM 1195 N ILE A 168 17.831 23.576 -7.290 1.00 9.37 N ATOM 1196 CA ILE A 168 16.925 22.554 -7.814 1.00 10.43 C ATOM 1197 C ILE A 168 17.673 21.650 -8.816 1.00 12.05 C ATOM 1198 O ILE A 168 18.273 22.127 -9.784 1.00 12.49 O ATOM 1199 CB ILE A 168 15.682 23.195 -8.448 1.00 10.59 C ATOM 1200 CG1 ILE A 168 14.918 24.035 -7.421 1.00 10.34 C ATOM 1201 CG2 ILE A 168 14.761 22.110 -8.989 1.00 11.42 C ATOM 1202 CD1 ILE A 168 13.793 24.863 -8.011 1.00 10.69 C ATOM 0 H ILE A 168 17.821 24.317 -7.727 1.00 9.37 H new ATOM 0 HA ILE A 168 16.617 22.001 -7.079 1.00 10.43 H new ATOM 0 HB ILE A 168 15.974 23.772 -9.171 1.00 10.59 H new ATOM 0 HG12 ILE A 168 14.552 23.445 -6.744 1.00 10.34 H new ATOM 0 HG13 ILE A 168 15.542 24.627 -6.974 1.00 10.34 H new ATOM 0 HG21 ILE A 168 13.978 22.520 -9.388 1.00 11.42 H new ATOM 0 HG22 ILE A 168 15.231 21.591 -9.660 1.00 11.42 H new ATOM 0 HG23 ILE A 168 14.486 21.527 -8.264 1.00 11.42 H new ATOM 0 HD11 ILE A 168 13.357 25.366 -7.306 1.00 10.69 H new ATOM 0 HD12 ILE A 168 14.154 25.477 -8.669 1.00 10.69 H new ATOM 0 HD13 ILE A 168 13.148 24.276 -8.436 1.00 10.69 H new ATOM 1203 N GLY A 169 17.647 20.350 -8.569 1.00 12.76 N ATOM 1204 CA GLY A 169 18.237 19.394 -9.482 1.00 14.93 C ATOM 1205 C GLY A 169 18.058 18.009 -8.913 1.00 16.89 C ATOM 1206 O GLY A 169 16.956 17.496 -8.883 1.00 16.49 O ATOM 0 H GLY A 169 17.288 20.000 -7.870 1.00 12.76 H new ATOM 0 HA2 GLY A 169 17.815 19.457 -10.353 1.00 14.93 H new ATOM 0 HA3 GLY A 169 19.179 19.587 -9.608 1.00 14.93 H new ATOM 1207 N SER A 170 19.150 17.448 -8.395 1.00 20.24 N ATOM 1208 CA SER A 170 19.157 16.087 -7.854 1.00 22.20 C ATOM 1209 C SER A 170 19.480 16.033 -6.365 1.00 23.13 C ATOM 1210 O SER A 170 19.639 14.946 -5.805 1.00 24.28 O ATOM 1211 CB SER A 170 20.175 15.260 -8.617 1.00 22.82 C ATOM 1212 OG SER A 170 19.699 15.043 -9.928 1.00 25.50 O ATOM 0 H SER A 170 19.910 17.847 -8.347 1.00 20.24 H new ATOM 0 HA SER A 170 18.261 15.731 -7.961 1.00 22.20 H new ATOM 0 HB2 SER A 170 21.029 15.719 -8.642 1.00 22.82 H new ATOM 0 HB3 SER A 170 20.322 14.412 -8.169 1.00 22.82 H new ATOM 0 HG SER A 170 20.258 14.587 -10.357 1.00 25.50 H new ATOM 1213 N GLY A 171 19.545 17.197 -5.727 1.00 24.11 N ATOM 1214 CA GLY A 171 20.075 17.325 -4.380 1.00 25.00 C ATOM 1215 C GLY A 171 19.025 17.191 -3.301 1.00 25.79 C ATOM 1216 O GLY A 171 19.386 17.205 -2.121 1.00 26.61 O ATOM 1217 OXT GLY A 171 17.834 17.065 -3.588 1.00 25.67 O ATOM 0 H GLY A 171 19.280 17.940 -6.069 1.00 24.11 H new ATOM 0 HA2 GLY A 171 20.757 16.649 -4.243 1.00 25.00 H new ATOM 0 HA3 GLY A 171 20.510 18.188 -4.292 1.00 25.00 H new TER 1218 GLY A 171 HETATM 1219 CU CU A 172 11.673 34.669 -3.691 0.75 20.75 CU HETATM 1220 O HOH A 201 2.520 24.029 6.689 1.00 9.59 O HETATM 1221 O HOH A 202 22.907 32.501 -3.722 1.00 10.04 O HETATM 1222 O HOH A 203 4.614 32.798 -1.527 1.00 10.56 O HETATM 1223 O HOH A 204 18.726 37.804 1.892 1.00 11.52 O HETATM 1224 O HOH A 205 -2.112 25.947 -3.679 1.00 11.85 O HETATM 1225 O HOH A 206 2.516 34.915 2.435 1.00 12.28 O HETATM 1226 O HOH A 207 5.884 16.750 -5.134 1.00 12.26 O HETATM 1227 O HOH A 208 8.393 18.652 -17.521 1.00 12.99 O HETATM 1228 O HOH A 209 12.345 32.164 9.363 1.00 14.37 O HETATM 1229 O HOH A 210 23.531 42.343 -4.010 1.00 13.87 O HETATM 1230 O HOH A 211 7.676 18.499 8.207 1.00 14.64 O HETATM 1231 O HOH A 212 10.429 19.094 -19.482 1.00 14.67 O HETATM 1232 O HOH A 213 9.806 22.807 -21.615 1.00 15.65 O HETATM 1233 O HOH A 214 4.797 21.402 -16.248 1.00 15.32 O HETATM 1234 O HOH A 215 0.000 31.931 0.000 0.50 15.36 O HETATM 1235 O HOH A 216 2.325 16.618 -11.131 1.00 15.79 O HETATM 1236 O HOH A 217 19.159 38.981 -6.018 1.00 16.15 O HETATM 1237 O HOH A 218 13.571 16.081 -1.778 1.00 16.52 O HETATM 1238 O HOH A 219 2.798 35.539 9.323 1.00 17.55 O HETATM 1239 O HOH A 220 23.046 24.678 -18.778 1.00 17.25 O HETATM 1240 O HOH A 221 24.630 35.036 -9.804 1.00 17.44 O HETATM 1241 O HOH A 222 7.621 26.300 -20.126 1.00 17.17 O HETATM 1242 O HOH A 223 4.409 29.075 -10.602 1.00 17.26 O HETATM 1243 O HOH A 224 18.951 35.919 5.530 1.00 17.35 O HETATM 1244 O HOH A 225 27.937 45.524 -6.640 1.00 18.33 O HETATM 1245 O HOH A 226 19.991 20.795 -3.115 1.00 17.36 O HETATM 1246 O HOH A 227 21.718 30.709 9.681 1.00 18.57 O HETATM 1247 O HOH A 228 5.705 19.200 -17.574 1.00 18.49 O HETATM 1248 O HOH A 229 -3.556 23.913 -16.847 1.00 18.19 O HETATM 1249 O HOH A 230 -9.364 56.325 -4.387 1.00 18.60 O HETATM 1250 O HOH A 231 17.316 30.707 8.413 1.00 18.63 O HETATM 1251 O HOH A 232 17.329 30.179 -14.938 1.00 19.29 O HETATM 1252 O HOH A 233 14.963 31.205 9.722 1.00 19.13 O HETATM 1253 O HOH A 234 24.698 25.972 -0.527 1.00 19.48 O HETATM 1254 O HOH A 235 4.429 33.838 -4.915 1.00 19.50 O HETATM 1255 O HOH A 236 13.144 40.547 5.835 1.00 19.42 O HETATM 1256 O HOH A 237 14.268 34.208 -15.001 1.00 19.54 O HETATM 1257 O HOH A 238 24.728 20.846 7.247 1.00 19.42 O HETATM 1258 O HOH A 239 16.774 27.661 -15.782 1.00 20.66 O HETATM 1259 O HOH A 240 26.025 37.211 -8.807 1.00 20.65 O HETATM 1260 O HOH A 241 2.721 21.799 15.571 1.00 20.73 O HETATM 1261 O HOH A 242 9.789 19.339 10.599 1.00 21.22 O HETATM 1262 O HOH A 243 20.446 38.824 4.000 1.00 21.80 O HETATM 1263 O HOH A 244 25.448 25.958 -7.124 1.00 20.93 O HETATM 1264 O HOH A 245 18.680 40.079 -8.530 1.00 21.24 O HETATM 1265 O HOH A 246 -0.103 27.479 -12.702 1.00 21.15 O HETATM 1266 O HOH A 247 28.706 36.913 -4.912 1.00 21.76 O HETATM 1267 O HOH A 248 22.578 42.843 2.892 1.00 21.98 O HETATM 1268 O HOH A 249 10.988 28.430 15.121 1.00 20.92 O HETATM 1269 O HOH A 250 9.231 20.175 -21.686 1.00 21.49 O HETATM 1270 O HOH A 251 14.772 32.471 -25.154 1.00 21.61 O HETATM 1271 O HOH A 252 18.711 41.347 -4.799 1.00 21.29 O HETATM 1272 O HOH A 253 21.382 23.147 -2.742 1.00 21.83 O HETATM 1273 O HOH A 254 5.128 19.292 8.956 1.00 21.57 O HETATM 1274 O HOH A 255 4.607 37.757 -5.306 1.00 22.53 O HETATM 1275 O HOH A 256 7.282 34.761 10.635 1.00 22.41 O HETATM 1276 O HOH A 257 22.356 20.408 8.945 1.00 22.91 O HETATM 1277 O HOH A 258 19.943 20.032 -6.198 1.00 22.69 O HETATM 1278 O HOH A 259 9.180 15.936 -17.082 1.00 22.20 O HETATM 1279 O HOH A 260 -1.107 29.365 10.738 1.00 23.47 O HETATM 1280 O HOH A 261 4.197 16.793 -17.371 1.00 23.11 O HETATM 1281 O HOH A 262 17.151 24.063 -11.331 1.00 24.13 O HETATM 1282 O HOH A 263 13.382 14.749 1.429 1.00 22.84 O HETATM 1283 O HOH A 264 21.801 21.720 0.078 1.00 23.32 O HETATM 1284 O HOH A 265 16.364 16.361 -1.437 1.00 23.82 O HETATM 1285 O HOH A 266 7.551 53.581 -8.349 1.00 23.54 O HETATM 1286 O HOH A 267 4.483 14.549 -5.885 1.00 23.74 O HETATM 1287 O HOH A 268 3.366 35.789 -6.661 1.00 24.11 O HETATM 1288 O HOH A 269 28.798 44.799 -3.124 1.00 24.21 O HETATM 1289 O HOH A 270 14.728 28.983 -18.248 1.00 23.06 O HETATM 1290 O HOH A 271 23.626 27.999 2.989 1.00 23.02 O HETATM 1291 O HOH A 272 6.965 35.549 8.058 1.00 24.19 O HETATM 1292 O HOH A 273 12.016 24.046 11.437 1.00 23.84 O HETATM 1293 O HOH A 274 13.684 22.696 9.886 1.00 23.85 O HETATM 1294 O HOH A 275 -0.873 16.850 -7.580 1.00 24.99 O HETATM 1295 O HOH A 276 9.254 28.357 17.211 1.00 24.95 O HETATM 1296 O HOH A 277 22.082 24.684 -0.223 1.00 24.77 O HETATM 1297 O HOH A 278 -0.747 43.580 -8.801 1.00 25.34 O HETATM 1298 O HOH A 279 29.581 34.466 -1.056 1.00 25.41 O HETATM 1299 O HOH A 280 15.280 39.082 -1.387 1.00 24.03 O HETATM 1300 O HOH A 281 -2.684 45.808 -6.681 1.00 25.09 O HETATM 1301 O HOH A 282 -3.068 47.225 -8.953 1.00 25.02 O HETATM 1302 O HOH A 283 20.344 41.391 2.879 1.00 24.41 O HETATM 1303 O HOH A 284 8.875 51.553 -8.971 1.00 25.36 O HETATM 1304 O HOH A 285 23.524 25.184 -10.259 1.00 25.69 O HETATM 1305 O HOH A 286 -8.372 49.188 -5.161 1.00 25.28 O HETATM 1306 O HOH A 287 14.430 31.925 -18.124 1.00 26.11 O HETATM 1307 O HOH A 288 18.329 16.024 2.268 1.00 27.12 O HETATM 1308 O HOH A 289 21.258 21.350 -15.796 1.00 25.95 O HETATM 1309 O HOH A 290 12.624 46.331 -1.065 1.00 27.57 O HETATM 1310 O HOH A 291 8.792 41.670 4.370 1.00 26.08 O HETATM 1311 O HOH A 292 10.442 40.479 6.088 1.00 27.75 O HETATM 1312 O HOH A 293 10.604 24.369 18.192 1.00 26.92 O HETATM 1313 O HOH A 294 17.346 28.226 10.156 1.00 28.29 O HETATM 1314 O HOH A 295 -3.342 17.241 -8.669 1.00 28.12 O HETATM 1315 O HOH A 296 11.998 12.497 -5.385 1.00 27.71 O HETATM 1316 O HOH A 297 26.677 32.637 6.812 1.00 27.86 O HETATM 1317 O HOH A 298 5.146 25.053 -18.558 1.00 28.88 O HETATM 1318 O HOH A 299 20.796 43.494 -4.328 1.00 28.71 O HETATM 1319 O HOH A 300 5.232 30.709 -16.912 1.00 27.92 O HETATM 1320 O HOH A 301 25.361 23.154 -18.389 1.00 28.37 O HETATM 1321 O HOH A 302 -2.420 40.115 -6.668 1.00 28.26 O HETATM 1322 O HOH A 303 27.338 40.869 -9.183 1.00 29.09 O HETATM 1323 O HOH A 304 4.640 52.514 -9.984 1.00 28.89 O HETATM 1324 O HOH A 305 4.826 19.593 14.987 1.00 28.72 O HETATM 1325 O HOH A 306 3.463 15.091 -2.000 1.00 28.20 O HETATM 1326 O HOH A 307 24.385 28.847 -11.861 1.00 29.04 O HETATM 1327 O HOH A 308 -12.499 49.001 1.754 1.00 29.31 O HETATM 1328 O HOH A 309 5.506 39.841 6.512 1.00 30.95 O HETATM 1329 O HOH A 310 25.260 25.385 2.089 1.00 29.96 O HETATM 1330 O HOH A 311 12.204 39.201 -8.842 1.00 29.48 O HETATM 1331 O HOH A 312 11.636 35.010 9.369 1.00 28.83 O HETATM 1332 O HOH A 313 13.289 38.205 -12.140 1.00 28.09 O HETATM 1333 O HOH A 314 23.354 35.587 8.134 1.00 29.31 O HETATM 1334 O HOH A 315 5.512 61.204 0.573 1.00 29.29 O HETATM 1335 O HOH A 316 0.706 50.791 -9.324 1.00 30.36 O HETATM 1336 O HOH A 317 13.828 36.330 -16.829 1.00 30.28 O HETATM 1337 O HOH A 318 24.360 35.317 -12.498 1.00 31.49 O HETATM 1338 O HOH A 319 17.381 39.948 0.759 1.00 29.65 O HETATM 1339 O HOH A 320 21.315 13.745 -4.488 1.00 31.55 O HETATM 1340 O HOH A 321 -4.712 45.009 -6.112 1.00 30.49 O HETATM 1341 O HOH A 322 0.505 14.710 0.616 0.50 30.98 O HETATM 1342 O HOH A 323 -4.272 23.664 -19.358 1.00 31.60 O HETATM 1343 O HOH A 324 14.347 39.825 8.125 1.00 31.92 O HETATM 1344 O HOH A 325 2.182 29.582 13.378 1.00 31.02 O HETATM 1345 O HOH A 326 9.374 31.036 18.137 1.00 31.97 O HETATM 1346 O HOH A 327 17.306 18.817 9.962 1.00 32.67 O HETATM 1347 O HOH A 328 -7.426 44.126 -4.188 1.00 32.78 O HETATM 1348 O HOH A 329 20.789 44.001 -8.356 1.00 32.25 O HETATM 1349 O HOH A 330 2.792 31.427 -11.632 1.00 31.21 O HETATM 1350 O HOH A 331 6.733 34.556 14.266 1.00 32.68 O HETATM 1351 O HOH A 332 16.084 14.617 -8.843 1.00 31.88 O HETATM 1352 O HOH A 333 21.967 18.517 -8.780 1.00 32.23 O HETATM 1353 O HOH A 334 1.542 31.670 -14.140 1.00 31.32 O HETATM 1354 O HOH A 335 10.347 45.005 -0.366 1.00 33.09 O HETATM 1355 O HOH A 336 11.225 16.408 -19.904 1.00 31.46 O HETATM 1356 O HOH A 337 6.016 29.572 18.928 1.00 33.07 O HETATM 1357 O HOH A 338 15.442 37.314 8.723 1.00 33.42 O HETATM 1358 O HOH A 339 -0.459 15.243 3.028 1.00 35.77 O HETATM 1359 O HOH A 340 31.295 30.817 -2.482 1.00 33.62 O HETATM 1360 O HOH A 341 6.344 38.223 -8.962 1.00 33.43 O HETATM 1361 O HOH A 342 13.072 34.498 -24.857 1.00 33.67 O HETATM 1362 O HOH A 343 29.292 34.682 -3.615 1.00 32.09 O HETATM 1363 O HOH A 344 20.438 41.564 -9.931 1.00 32.87 O HETATM 1364 O HOH A 345 19.732 33.038 -14.926 1.00 33.42 O HETATM 1365 O HOH A 346 -6.428 53.040 3.292 1.00 34.19 O HETATM 1366 O HOH A 347 -2.254 49.759 -9.456 1.00 33.95 O HETATM 1367 O HOH A 348 1.382 36.997 7.699 1.00 34.04 O HETATM 1368 O HOH A 349 20.857 15.040 5.607 1.00 33.12 O HETATM 1369 O HOH A 350 19.285 21.128 10.618 1.00 34.58 O HETATM 1370 O HOH A 351 11.266 42.472 -0.257 1.00 37.09 O HETATM 1371 O HOH A 352 -4.328 15.485 -12.829 1.00 34.42 O HETATM 1372 O HOH A 353 17.833 36.141 7.861 1.00 35.90 O HETATM 1373 O HOH A 354 8.254 18.676 13.071 1.00 35.33 O HETATM 1374 O HOH A 355 21.929 17.418 -1.373 1.00 35.82 O HETATM 1375 O HOH A 356 4.845 19.570 -20.140 1.00 35.47 O HETATM 1376 O HOH A 357 12.285 49.844 -11.631 1.00 36.93 O HETATM 1377 O HOH A 358 11.249 30.653 -24.371 1.00 40.20 O HETATM 1378 O HOH A 359 7.586 39.008 -11.221 1.00 37.78 O HETATM 1379 O HOH A 360 7.214 14.026 -16.669 1.00 35.09 O HETATM 1380 O HOH A 361 13.146 47.097 -8.209 1.00 37.02 O HETATM 1381 O HOH A 362 10.708 50.501 -13.369 1.00 38.45 O HETATM 1382 O HOH A 363 30.469 29.455 -4.486 1.00 34.70 O HETATM 1383 O HOH A 364 4.759 39.751 -6.926 1.00 36.76 O HETATM 1384 O HOH A 365 8.763 56.891 -3.745 1.00 39.17 O HETATM 1385 O HOH A 366 9.668 33.252 -9.069 1.00 34.28 O HETATM 1386 O HOH A 367 -6.876 55.026 -7.508 1.00 36.30 O HETATM 1387 O HOH A 368 12.585 39.618 -1.559 1.00 37.72 O HETATM 1388 O HOH A 369 30.613 42.845 -2.452 1.00 37.69 O HETATM 1389 O HOH A 370 5.159 62.690 -2.705 1.00 38.70 O HETATM 1390 O HOH A 371 5.828 28.263 -20.548 1.00 35.21 O HETATM 1391 O HOH A 372 11.888 49.753 -4.495 1.00 36.34 O HETATM 1392 O HOH A 373 3.096 14.412 0.290 1.00 36.37 O HETATM 1393 O HOH A 374 13.090 16.788 -22.577 1.00 38.65 O HETATM 1394 O HOH A 375 -1.340 39.606 -10.569 1.00 37.82 O HETATM 1395 O HOH A 376 18.478 33.663 8.277 1.00 37.16 O HETATM 1396 O HOH A 377 6.292 63.124 -5.122 1.00 38.97 O HETATM 1397 O HOH A 378 12.964 43.379 -7.979 1.00 36.95 O HETATM 1398 O HOH A 379 24.798 38.695 4.429 1.00 40.06 O HETATM 1399 O HOH A 380 25.020 22.960 3.945 1.00 36.45 O HETATM 1400 O HOH A 381 -5.223 55.910 -4.389 1.00 39.01 O HETATM 1401 O HOH A 382 -5.018 15.168 -7.935 1.00 38.78 O HETATM 1402 O HOH A 383 28.373 33.964 -7.172 1.00 38.60 O HETATM 1403 O HOH A 384 2.212 14.027 -7.145 1.00 38.78 O HETATM 1404 O HOH A 385 14.015 44.532 -2.624 1.00 38.24 O HETATM 1405 O HOH A 386 24.910 32.490 -13.649 1.00 38.60 O HETATM 1406 O HOH A 387 4.803 49.871 -10.688 1.00 38.04 O HETATM 1407 O HOH A 388 13.959 35.347 10.081 1.00 40.01 O HETATM 1408 O HOH A 389 3.583 22.893 -17.933 1.00 39.22 O HETATM 1409 O HOH A 390 13.115 11.285 -12.271 1.00 38.50 O HETATM 1410 O HOH A 391 13.763 40.636 -10.182 1.00 41.88 O HETATM 1411 O HOH A 392 -1.187 45.845 -10.448 1.00 38.43 O HETATM 1412 O HOH A 393 31.636 40.670 2.002 1.00 41.80 O HETATM 1413 O HOH A 394 34.096 41.078 3.358 1.00 43.89 O HETATM 1414 O HOH A 395 1.430 37.470 -7.750 1.00 38.82 O HETATM 1415 O HOH A 396 0.340 41.591 -10.131 1.00 39.40 O HETATM 1416 O HOH A 397 18.920 16.922 -11.735 1.00 41.16 O HETATM 1417 O HOH A 398 -12.300 49.100 -1.711 1.00 40.34 O HETATM 1418 O HOH A 399 23.046 17.716 -5.833 1.00 41.39 O HETATM 1419 O HOH A 400 28.294 27.995 9.799 1.00 40.46 O HETATM 1420 O HOH A 401 26.914 43.850 -11.553 1.00 40.97 O HETATM 1421 O HOH A 402 9.309 22.099 19.379 1.00 41.63 O HETATM 1422 O HOH A 403 2.959 12.539 -17.549 1.00 43.20 O HETATM 1423 O HOH A 404 24.139 25.293 -14.922 1.00 39.58 O HETATM 1424 O HOH A 405 25.647 35.249 5.990 1.00 42.73 O HETATM 1425 O HOH A 406 25.180 33.726 9.138 1.00 41.08 O HETATM 1426 O HOH A 407 14.016 12.362 -7.344 1.00 41.72 O HETATM 1427 O HOH A 408 10.934 32.044 16.209 1.00 42.16 O HETATM 1428 O HOH A 409 -9.176 45.334 -2.252 1.00 41.15 O HETATM 1429 O HOH A 410 24.239 46.600 -13.226 1.00 44.27 O HETATM 1430 O HOH A 411 6.706 19.626 -22.045 1.00 42.28 O HETATM 1431 O HOH A 412 10.314 39.056 -11.419 1.00 42.29 O HETATM 1432 O HOH A 413 -1.041 21.400 -17.722 1.00 43.79 O HETATM 1433 O HOH A 414 8.595 37.051 11.982 1.00 42.08 O HETATM 1434 O HOH A 415 15.122 17.330 -18.953 1.00 47.63 O HETATM 1435 O HOH A 416 2.390 30.158 16.166 1.00 41.71 O HETATM 1436 O HOH A 417 6.571 29.736 -23.169 1.00 42.06 O HETATM 1437 O HOH A 418 5.682 38.174 8.415 1.00 41.29 O HETATM 1438 O HOH A 419 20.694 39.107 6.311 1.00 39.96 O HETATM 1439 O HOH A 420 30.057 41.949 3.703 1.00 45.55 O HETATM 1440 O HOH A 421 15.965 17.133 12.332 1.00 43.27 O HETATM 1441 O HOH A 422 20.632 18.785 -12.028 1.00 45.30 O HETATM 1442 O HOH A 423 8.650 17.879 17.859 1.00 41.27 O HETATM 1443 O HOH A 424 16.691 15.569 4.619 1.00 42.84 O HETATM 1444 O HOH A 425 0.787 47.376 -11.549 1.00 44.04 O HETATM 1445 O HOH A 426 16.330 39.727 -12.151 1.00 42.56 O HETATM 1446 O HOH A 427 8.662 51.328 -11.850 1.00 41.17 O HETATM 1447 O HOH A 428 7.447 20.339 18.303 1.00 44.23 O HETATM 1448 O HOH A 429 29.377 30.825 -7.899 1.00 47.06 O HETATM 1449 O HOH A 430 19.588 27.810 11.524 1.00 45.49 O HETATM 1450 O HOH A 431 30.354 38.863 -0.778 1.00 44.04 O HETATM 1451 O HOH A 432 13.218 23.975 18.660 1.00 44.28 O HETATM 1452 O HOH A 433 17.371 27.941 14.917 1.00 49.87 O HETATM 1453 O HOH A 434 -7.590 46.144 -6.117 1.00 45.40 O HETATM 1454 O HOH A 435 10.618 18.594 -23.423 1.00 45.27 O HETATM 1455 O HOH A 436 -3.611 42.641 -8.072 1.00 48.58 O HETATM 1456 O HOH A 437 24.375 20.589 -12.593 1.00 50.84 O HETATM 1457 O HOH A 438 23.707 22.597 -15.109 1.00 49.68 O HETATM 1458 O HOH A 439 -9.073 49.614 -8.558 1.00 47.71 O HETATM 1459 O HOH A 440 3.856 34.768 -17.517 1.00 49.63 O HETATM 1460 O HOH A 441 1.599 40.716 -15.422 1.00 53.73 O HETATM 1461 O HOH A 442 -5.775 53.622 -9.548 1.00 50.88 O HETATM 1462 O HOH A 443 27.731 28.258 -4.930 1.00 49.37 O HETATM 1463 O HOH A 444 15.735 19.624 14.547 1.00 52.66 O HETATM 1464 O HOH A 445 22.589 33.392 -14.852 1.00 47.68 O HETATM 1465 O HOH A 446 13.811 17.150 14.432 1.00 53.77 O HETATM 1466 O HOH A 447 23.002 18.301 -11.044 1.00 55.24 O HETATM 1467 O HOH A 448 11.305 36.514 -4.137 1.00 25.62 O HETATM 1468 O HOH A 449 13.009 38.214 -3.890 1.00 36.32 O HETATM 1469 O HOH A 450 13.320 38.730 -6.283 1.00 38.61 O HETATM 1470 O HOH A 451 15.082 40.334 -6.581 1.00 41.85 O HETATM 1471 O HOH A 452 10.663 38.111 -2.689 1.00 37.79 O CONECT 335 1219 CONECT 356 1219 CONECT 391 1183 CONECT 903 1219 CONECT 1183 391 CONECT 1219 335 356 903 1467 CONECT 1467 1219 END