USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER TRANSCRIPTION/DNA 10-DEC-97 1A1I TITLE RADR (ZIF268 VARIANT) ZINC FINGER-DNA COMPLEX (GCAC SITE) COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*CP*AP*C)-3'); COMPND 3 CHAIN: B; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: DNA (5'-D(*TP*GP*TP*GP*CP*CP*CP*AP*CP*GP*C)-3'); COMPND 7 CHAIN: C; COMPND 8 ENGINEERED: YES; COMPND 9 MOL_ID: 3; COMPND 0 MOLECULE: RADR ZIF268 ZINC FINGER PEPTIDE; COMPND 1 CHAIN: A; COMPND 2 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 MOL_ID: 2; SOURCE 4 SYNTHETIC: YES; SOURCE 5 MOL_ID: 3; SOURCE 6 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 7 ORGANISM_COMMON: HOUSE MOUSE; SOURCE 8 ORGANISM_TAXID: 10090; SOURCE 9 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 0 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 1 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); SOURCE 2 EXPRESSION_SYSTEM_PLASMID: PRADR KEYWDS ZINC FINGER-DNA COMPLEX, ZINC FINGER, DNA-BINDING PROTEIN, KEYWDS 2 TRANSCRIPTION-DNA COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR M.ELROD-ERICKSON,T.E.BENSON,C.O.PABO REVDAT 3 16-NOV-11 1A1I 1 VERSN HETATM REVDAT 2 24-FEB-09 1A1I 1 VERSN REVDAT 1 17-JUN-98 1A1I 0 JRNL AUTH M.ELROD-ERICKSON,T.E.BENSON,C.O.PABO JRNL TITL HIGH-RESOLUTION STRUCTURES OF VARIANT ZIF268-DNA COMPLEXES: JRNL TITL 2 IMPLICATIONS FOR UNDERSTANDING ZINC FINGER-DNA RECOGNITION. JRNL REF STRUCTURE V. 6 451 1998 JRNL REFN ISSN 0969-2126 JRNL PMID 9562555 JRNL DOI 10.1016/S0969-2126(98)00047-1 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH M.ELROD-ERICKSON,M.A.ROULD,L.NEKLUDOVA,C.O.PABO REMARK 1 TITL ZIF268 PROTEIN-DNA COMPLEX REFINED AT 1.6 A: A MODEL SYSTEM REMARK 1 TITL 2 FOR UNDERSTANDING ZINC FINGER-DNA INTERACTIONS REMARK 1 REF STRUCTURE V. 4 1171 1996 REMARK 1 REFN ISSN 0969-2126 REMARK 1 REFERENCE 2 REMARK 1 AUTH E.J.REBAR,C.O.PABO REMARK 1 TITL ZINC FINGER PHAGE: AFFINITY SELECTION OF FINGERS WITH NEW REMARK 1 TITL 2 DNA-BINDING SPECIFICITIES REMARK 1 REF SCIENCE V. 263 671 1994 REMARK 1 REFN ISSN 0036-8075 REMARK 1 REFERENCE 3 REMARK 1 AUTH N.P.PAVLETICH,C.O.PABO REMARK 1 TITL ZINC FINGER-DNA RECOGNITION: CRYSTAL STRUCTURE OF A REMARK 1 TITL 2 ZIF268-DNA COMPLEX AT 2.1 A REMARK 1 REF SCIENCE V. 252 809 1991 REMARK 1 REFN ISSN 0036-8075 REMARK 2 REMARK 2 RESOLUTION. 1.60 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.843 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.60 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 20.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 100000.000 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 96.4 REMARK 3 NUMBER OF REFLECTIONS : 21186 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.191 REMARK 3 FREE R VALUE : 0.216 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 11.400 REMARK 3 FREE R VALUE TEST SET COUNT : 2418 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.004 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 8 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.60 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.67 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 90.40 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 2146 REMARK 3 BIN R VALUE (WORKING SET) : 0.2150 REMARK 3 BIN FREE R VALUE : 0.2150 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 12.00 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 295 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.010 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 708 REMARK 3 NUCLEIC ACID ATOMS : 445 REMARK 3 HETEROGEN ATOMS : 3 REMARK 3 SOLVENT ATOMS : 255 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 14.80 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -2.53000 REMARK 3 B22 (A**2) : 2.00000 REMARK 3 B33 (A**2) : 2.37200 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.004 REMARK 3 BOND ANGLES (DEGREES) : 1.06 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 18.80 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.45 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED INDIVIDUAL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 0.826 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 1.294 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 1.468 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 2.167 ; 2.500 REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PARHCSDX.PRO REMARK 3 PARAMETER FILE 2 : PARNDBX.DNA REMARK 3 PARAMETER FILE 3 : NULL REMARK 3 TOPOLOGY FILE 1 : TOPHCSDX.PRO REMARK 3 TOPOLOGY FILE 2 : TOPNDBX.DNA REMARK 3 TOPOLOGY FILE 3 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1A1I COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 15-JUL-95 REMARK 200 TEMPERATURE (KELVIN) : 130.00 REMARK 200 PH : 6.2 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RU200 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : NULL REMARK 200 MONOCHROMATOR : YALE MIRRORS REMARK 200 OPTICS : YALE MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IIC REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 21212 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.600 REMARK 200 RESOLUTION RANGE LOW (A) : 20.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -2.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 96.4 REMARK 200 DATA REDUNDANCY : 2.100 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.04900 REMARK 200 FOR THE DATA SET : 27.8000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.60 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.66 REMARK 200 COMPLETENESS FOR SHELL (%) : 89.9 REMARK 200 DATA REDUNDANCY IN SHELL : 1.70 REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.10900 REMARK 200 FOR SHELL : 9.200 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: ISOMORPHOUS MOLECULAR REMARK 200 REPLACEMENT REMARK 200 SOFTWARE USED: X-PLOR REMARK 200 STARTING MODEL: PDB ENTRY 1AAY, WITHOUT WATERS AND WITHOUT SIDE REMARK 200 CHAINS FOR RESIDUES 18 - 24 REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): NULL REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): NULL REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 22.5% PEG 3350, 500MM NACL, 25 MM MES REMARK 280 PH 6.2, VAPOR DIFFUSION, HANGING DROP REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 2 2 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -X,Y,-Z+1/2 REMARK 290 4555 X,-Y,-Z REMARK 290 5555 X+1/2,Y+1/2,Z REMARK 290 6555 -X+1/2,-Y+1/2,Z+1/2 REMARK 290 7555 -X+1/2,Y+1/2,-Z+1/2 REMARK 290 8555 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 66.90000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 66.90000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 21.60000 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 28.15000 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 21.60000 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 28.15000 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 66.90000 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 21.60000 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 28.15000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 66.90000 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 21.60000 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 28.15000 REMARK 290 SMTRY3 8 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 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: TRIMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: B, C, 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 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 482 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 MET A 101 REMARK 465 GLU A 102 REMARK 465 GLN A 188 REMARK 465 LYS A 189 REMARK 465 ASP A 190 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 DC B 3 C3' - C2' - C1' ANGL. DEV. = -4.8 DEGREES REMARK 500 REMARK 500 REMARK: NULL 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 ZN A 201 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 107 SG REMARK 620 2 CYS A 112 SG 114.7 REMARK 620 3 HIS A 125 NE2 107.7 108.6 REMARK 620 4 HIS A 129 NE2 103.1 117.6 104.3 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 202 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 137 SG REMARK 620 2 CYS A 140 SG 117.1 REMARK 620 3 HIS A 153 NE2 111.0 105.1 REMARK 620 4 HIS A 157 NE2 109.9 112.0 100.3 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 203 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 165 SG REMARK 620 2 CYS A 168 SG 115.7 REMARK 620 3 HIS A 181 NE2 107.3 103.6 REMARK 620 4 HIS A 185 NE2 106.5 114.5 109.0 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 ZN A 201 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 202 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 203 DBREF 1A1I A 102 190 UNP P08046 EGR1_MOUSE 308 396 DBREF 1A1I B 1 11 PDB 1A1I 1A1I 1 11 DBREF 1A1I C 51 61 PDB 1A1I 1A1I 51 61 SEQADV 1A1I ALA A 120 UNP P08046 ASP 326 VARIANT SEQADV 1A1I ASP A 121 UNP P08046 GLU 327 VARIANT SEQRES 1 B 11 DA DG DC DG DT DG DG DG DC DA DC SEQRES 1 C 11 DT DG DT DG DC DC DC DA DC DG DC SEQRES 1 A 90 MET GLU ARG PRO TYR ALA CYS PRO VAL GLU SER CYS ASP SEQRES 2 A 90 ARG ARG PHE SER ARG SER ALA ASP LEU THR ARG HIS ILE SEQRES 3 A 90 ARG ILE HIS THR GLY GLN LYS PRO PHE GLN CYS ARG ILE SEQRES 4 A 90 CYS MET ARG ASN PHE SER ARG SER ASP HIS LEU THR THR SEQRES 5 A 90 HIS ILE ARG THR HIS THR GLY GLU LYS PRO PHE ALA CYS SEQRES 6 A 90 ASP ILE CYS GLY ARG LYS PHE ALA ARG SER ASP GLU ARG SEQRES 7 A 90 LYS ARG HIS THR LYS ILE HIS LEU ARG GLN LYS ASP HET ZN A 201 1 HET ZN A 202 1 HET ZN A 203 1 HETNAM ZN ZINC ION FORMUL 4 ZN 3(ZN 2+) FORMUL 7 HOH *255(H2 O) HELIX 1 1 SER A 119 THR A 130 1 12 HELIX 2 2 SER A 147 THR A 158 1 12 HELIX 3 3 SER A 175 HIS A 185 1 11 SHEET 1 A 2 TYR A 105 ALA A 106 0 SHEET 2 A 2 ARG A 115 PHE A 116 -1 N PHE A 116 O TYR A 105 SHEET 1 B 2 PHE A 135 GLN A 136 0 SHEET 2 B 2 ASN A 143 PHE A 144 -1 N PHE A 144 O PHE A 135 SHEET 1 C 2 PHE A 163 ALA A 164 0 SHEET 2 C 2 LYS A 171 PHE A 172 -1 O PHE A 172 N PHE A 163 LINK ZN ZN A 201 SG CYS A 107 1555 1555 2.28 LINK ZN ZN A 201 SG CYS A 112 1555 1555 2.27 LINK ZN ZN A 201 NE2 HIS A 125 1555 1555 2.08 LINK ZN ZN A 201 NE2 HIS A 129 1555 1555 2.05 LINK ZN ZN A 202 SG CYS A 137 1555 1555 2.29 LINK ZN ZN A 202 SG CYS A 140 1555 1555 2.31 LINK ZN ZN A 202 NE2 HIS A 153 1555 1555 2.15 LINK ZN ZN A 202 NE2 HIS A 157 1555 1555 2.04 LINK ZN ZN A 203 SG CYS A 165 1555 1555 2.32 LINK ZN ZN A 203 SG CYS A 168 1555 1555 2.36 LINK ZN ZN A 203 NE2 HIS A 181 1555 1555 2.05 LINK ZN ZN A 203 NE2 HIS A 185 1555 1555 1.95 SITE *** AC1 4 CYS A 107 CYS A 112 HIS A 125 HIS A 129 SITE *** AC2 4 CYS A 137 CYS A 140 HIS A 153 HIS A 157 SITE *** AC3 4 CYS A 165 CYS A 168 HIS A 181 HIS A 185 CRYST1 43.200 56.300 133.800 90.00 90.00 90.00 C 2 2 21 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.023148 0.000000 0.000000 0.00000 SCALE2 0.000000 0.017762 0.000000 0.00000 SCALE3 0.000000 0.000000 0.007474 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 125 HIS HE2 : A 125 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 129 HIS HE2 : A 129 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 153 HIS HE2 : A 153 HIS NE2 : A 202 ZNZN :(H bumps) USER MOD NoAdj-H: A 157 HIS HE2 : A 157 HIS NE2 : A 202 ZNZN :(H bumps) USER MOD NoAdj-H: A 181 HIS HE2 : A 181 HIS NE2 : A 203 ZNZN :(H bumps) USER MOD NoAdj-H: A 185 HIS HE2 : A 185 HIS NE2 : A 203 ZNZN :(H bumps) USER MOD Set 1.1: A 149 HIS : no HD1:sc= 2.57 K(o=2.6,f=-6.5!) USER MOD Set 1.2: B 5 DT C7 :methyl -30:sc= -0.0165 (180deg=-0.144) USER MOD Single : A 105 TYR OH : rot 180:sc= 0.324 USER MOD Single : A 111 SER OG : rot 86:sc= 1.34 USER MOD Single : A 117 SER OG : rot 130:sc= 1.2 USER MOD Single : A 119 SER OG : rot -150:sc= 2.39 USER MOD Single : A 123 THR OG1 : rot 80:sc= 1.35 USER MOD Single : A 130 THR OG1 : rot -169:sc= 0.718 USER MOD Single : A 132 GLN : amide:sc= 0.68 K(o=0.68,f=-1.3!) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 GLN : amide:sc= 2.32 K(o=2.3,f=-0.7) USER MOD Single : A 141 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= 1.05 K(o=1,f=-0.14) USER MOD Single : A 145 SER OG : rot 165:sc= 1.57 USER MOD Single : A 147 SER OG : rot -158:sc= 2.77 USER MOD Single : A 151 THR OG1 : rot -37:sc= 2.08 USER MOD Single : A 152 THR OG1 : rot 10:sc= 1.99 USER MOD Single : A 156 THR OG1 : rot -71:sc= 1.17 USER MOD Single : A 158 THR OG1 : rot -161:sc= 0.877 USER MOD Single : A 161 LYS NZ :NH3+ -158:sc= 0.0121 (180deg=0) USER MOD Single : A 171 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 175 SER OG : rot -159:sc= 2.13 USER MOD Single : A 179 LYS NZ :NH3+ 161:sc= 1.87 (180deg=1.3) USER MOD Single : A 182 THR OG1 : rot 70:sc= 1.05 USER MOD Single : A 183 LYS NZ :NH3+ 156:sc= 2.15 (180deg=1.29) USER MOD Single : B 1 DA O5' : rot 80:sc= 2.36 USER MOD Single : B 11 DC O3' : rot -179:sc= 2.25 USER MOD Single : C 51 DT C7 :methyl 150:sc= -0.273 (180deg=-0.273) USER MOD Single : C 51 DT O5' : rot -171:sc= 0.823 USER MOD Single : C 53 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : C 61 DC O3' : rot -115:sc= 1.4 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA B 1 11.824 24.015 41.220 1.00 13.65 O ATOM 2 C5' DA B 1 13.058 24.521 40.718 1.00 11.82 C ATOM 3 C4' DA B 1 14.226 23.792 41.338 1.00 12.48 C ATOM 4 O4' DA B 1 14.346 24.165 42.732 1.00 12.87 O ATOM 5 C3' DA B 1 14.098 22.270 41.315 1.00 13.01 C ATOM 6 O3' DA B 1 15.356 21.670 41.018 1.00 14.19 O ATOM 7 C2' DA B 1 13.660 21.922 42.726 1.00 11.92 C ATOM 8 C1' DA B 1 14.314 23.010 43.557 1.00 12.02 C ATOM 9 N9 DA B 1 13.562 23.347 44.766 1.00 10.70 N ATOM 10 C8 DA B 1 13.957 23.172 46.066 1.00 10.59 C ATOM 11 N7 DA B 1 13.069 23.561 46.945 1.00 10.40 N ATOM 12 C5 DA B 1 12.015 24.026 46.175 1.00 9.39 C ATOM 13 C6 DA B 1 10.760 24.564 46.514 1.00 8.88 C ATOM 14 N6 DA B 1 10.343 24.731 47.771 1.00 8.18 N ATOM 15 N1 DA B 1 9.939 24.928 45.504 1.00 9.20 N ATOM 16 C2 DA B 1 10.359 24.753 44.243 1.00 9.70 C ATOM 17 N3 DA B 1 11.513 24.256 43.799 1.00 10.34 N ATOM 18 C4 DA B 1 12.306 23.905 44.827 1.00 10.76 C ATOM 0 H5' DA B 1 13.125 25.470 40.908 1.00 11.82 H new ATOM 0 H5'' DA B 1 13.085 24.423 39.753 1.00 11.82 H new ATOM 0 H4' DA B 1 14.995 24.046 40.805 1.00 12.48 H new ATOM 0 H3' DA B 1 13.477 21.953 40.641 1.00 13.01 H new ATOM 0 H2' DA B 1 12.694 21.931 42.816 1.00 11.92 H new ATOM 0 H2'' DA B 1 13.961 21.038 42.989 1.00 11.92 H new ATOM 0 HO5' DA B 1 11.670 24.350 41.975 1.00 13.65 H new ATOM 0 H1' DA B 1 15.188 22.701 43.843 1.00 12.02 H new ATOM 0 H8 DA B 1 14.780 22.810 46.302 1.00 10.59 H new ATOM 0 H61 DA B 1 9.566 25.065 47.925 1.00 8.18 H new ATOM 0 H62 DA B 1 10.852 24.505 48.426 1.00 8.18 H new ATOM 0 H2 DA B 1 9.759 25.016 43.583 1.00 9.70 H new ATOM 19 P DG B 2 15.396 20.196 40.384 1.00 18.95 P ATOM 20 OP1 DG B 2 16.685 20.051 39.662 1.00 18.62 O ATOM 21 OP2 DG B 2 14.115 19.958 39.663 1.00 18.26 O ATOM 22 O5' DG B 2 15.423 19.243 41.658 1.00 16.52 O ATOM 23 C5' DG B 2 16.627 19.082 42.416 1.00 15.32 C ATOM 24 C4' DG B 2 16.418 18.093 43.537 1.00 14.44 C ATOM 25 O4' DG B 2 15.647 18.687 44.607 1.00 14.21 O ATOM 26 C3' DG B 2 15.694 16.802 43.157 1.00 14.49 C ATOM 27 O3' DG B 2 16.367 15.719 43.797 1.00 16.29 O ATOM 28 C2' DG B 2 14.298 16.996 43.731 1.00 13.41 C ATOM 29 C1' DG B 2 14.586 17.821 44.972 1.00 11.95 C ATOM 30 N9 DG B 2 13.495 18.651 45.472 1.00 10.15 N ATOM 31 C8 DG B 2 12.551 19.326 44.736 1.00 9.53 C ATOM 32 N7 DG B 2 11.734 20.028 45.474 1.00 9.19 N ATOM 33 C5 DG B 2 12.159 19.794 46.776 1.00 8.52 C ATOM 34 C6 DG B 2 11.665 20.294 48.011 1.00 7.73 C ATOM 35 O6 DG B 2 10.725 21.071 48.208 1.00 9.19 O ATOM 36 N1 DG B 2 12.392 19.802 49.091 1.00 8.96 N ATOM 37 C2 DG B 2 13.459 18.939 48.997 1.00 8.82 C ATOM 38 N2 DG B 2 14.037 18.578 50.155 1.00 8.48 N ATOM 39 N3 DG B 2 13.926 18.466 47.854 1.00 8.07 N ATOM 40 C4 DG B 2 13.235 18.934 46.791 1.00 9.13 C ATOM 0 H5' DG B 2 16.903 19.938 42.780 1.00 15.32 H new ATOM 0 H5'' DG B 2 17.342 18.776 41.836 1.00 15.32 H new ATOM 0 H4' DG B 2 17.323 17.863 43.799 1.00 14.44 H new ATOM 0 H3' DG B 2 15.669 16.613 42.206 1.00 14.49 H new ATOM 0 H2' DG B 2 13.712 17.460 43.113 1.00 13.41 H new ATOM 0 H2'' DG B 2 13.872 16.151 43.946 1.00 13.41 H new ATOM 0 H1' DG B 2 14.771 17.197 45.691 1.00 11.95 H new ATOM 0 H8 DG B 2 12.499 19.287 43.808 1.00 9.53 H new ATOM 0 H1 DG B 2 12.156 20.057 49.878 1.00 8.96 H new ATOM 0 H21 DG B 2 14.708 18.040 50.151 1.00 8.48 H new ATOM 0 H22 DG B 2 13.736 18.885 50.900 1.00 8.48 H new ATOM 41 P DC B 3 15.916 14.208 43.513 1.00 16.63 P ATOM 42 OP1 DC B 3 17.142 13.376 43.620 1.00 18.41 O ATOM 43 OP2 DC B 3 15.093 14.153 42.279 1.00 16.95 O ATOM 44 O5' DC B 3 14.973 13.888 44.752 1.00 12.00 O ATOM 45 C5' DC B 3 15.460 14.065 46.083 1.00 11.37 C ATOM 46 C4' DC B 3 14.334 13.913 47.078 1.00 10.34 C ATOM 47 O4' DC B 3 13.514 15.107 47.173 1.00 10.38 O ATOM 48 C3' DC B 3 13.368 12.755 46.800 1.00 9.64 C ATOM 49 O3' DC B 3 13.043 12.150 48.048 1.00 8.81 O ATOM 50 C2' DC B 3 12.120 13.472 46.317 1.00 10.62 C ATOM 51 C1' DC B 3 12.183 14.643 47.268 1.00 10.05 C ATOM 52 N1 DC B 3 11.253 15.767 47.073 1.00 10.07 N ATOM 53 C2 DC B 3 10.990 16.600 48.165 1.00 9.87 C ATOM 54 O2 DC B 3 11.629 16.425 49.216 1.00 10.33 O ATOM 55 N3 DC B 3 10.057 17.569 48.049 1.00 9.02 N ATOM 56 C4 DC B 3 9.410 17.737 46.896 1.00 9.91 C ATOM 57 N4 DC B 3 8.466 18.678 46.846 1.00 9.28 N ATOM 58 C5 DC B 3 9.695 16.938 45.746 1.00 9.59 C ATOM 59 C6 DC B 3 10.618 15.973 45.878 1.00 10.01 C ATOM 0 H5' DC B 3 15.863 14.943 46.173 1.00 11.37 H new ATOM 0 H5'' DC B 3 16.155 13.414 46.269 1.00 11.37 H new ATOM 0 H4' DC B 3 14.812 13.734 47.903 1.00 10.34 H new ATOM 0 H3' DC B 3 13.717 12.089 46.187 1.00 9.64 H new ATOM 0 H2' DC B 3 12.170 13.736 45.385 1.00 10.62 H new ATOM 0 H2'' DC B 3 11.314 12.942 46.419 1.00 10.62 H new ATOM 0 H1' DC B 3 11.902 14.312 48.135 1.00 10.05 H new ATOM 0 H41 DC B 3 8.030 18.811 46.117 1.00 9.28 H new ATOM 0 H42 DC B 3 8.293 19.151 47.543 1.00 9.28 H new ATOM 0 H5 DC B 3 9.258 17.081 44.938 1.00 9.59 H new ATOM 0 H6 DC B 3 10.829 15.437 45.148 1.00 10.01 H new ATOM 60 P DG B 4 12.975 10.556 48.179 1.00 9.05 P ATOM 61 OP1 DG B 4 14.299 9.991 47.831 1.00 10.49 O ATOM 62 OP2 DG B 4 11.760 10.065 47.476 1.00 9.09 O ATOM 63 O5' DG B 4 12.750 10.373 49.741 1.00 9.35 O ATOM 64 C5' DG B 4 13.667 10.955 50.684 1.00 8.84 C ATOM 65 C4' DG B 4 12.927 11.396 51.922 1.00 8.57 C ATOM 66 O4' DG B 4 12.199 12.624 51.675 1.00 9.40 O ATOM 67 C3' DG B 4 11.898 10.379 52.413 1.00 9.36 C ATOM 68 O3' DG B 4 11.948 10.292 53.834 1.00 10.25 O ATOM 69 C2' DG B 4 10.572 10.954 51.942 1.00 8.60 C ATOM 70 C1' DG B 4 10.822 12.454 51.987 1.00 8.52 C ATOM 71 N9 DG B 4 10.044 13.226 51.019 1.00 8.11 N ATOM 72 C8 DG B 4 10.170 13.201 49.651 1.00 7.03 C ATOM 73 N7 DG B 4 9.332 13.997 49.044 1.00 7.57 N ATOM 74 C5 DG B 4 8.608 14.585 50.072 1.00 7.45 C ATOM 75 C6 DG B 4 7.552 15.532 50.026 1.00 7.61 C ATOM 76 O6 DG B 4 7.036 16.062 49.035 1.00 9.28 O ATOM 77 N1 DG B 4 7.095 15.855 51.301 1.00 8.46 N ATOM 78 C2 DG B 4 7.594 15.335 52.472 1.00 9.49 C ATOM 79 N2 DG B 4 7.024 15.772 53.606 1.00 9.46 N ATOM 80 N3 DG B 4 8.580 14.452 52.528 1.00 9.60 N ATOM 81 C4 DG B 4 9.035 14.122 51.299 1.00 8.29 C ATOM 0 H5' DG B 4 14.118 11.713 50.281 1.00 8.84 H new ATOM 0 H5'' DG B 4 14.352 10.310 50.920 1.00 8.84 H new ATOM 0 H4' DG B 4 13.616 11.507 52.596 1.00 8.57 H new ATOM 0 H3' DG B 4 12.048 9.481 52.078 1.00 9.36 H new ATOM 0 H2' DG B 4 10.346 10.653 51.048 1.00 8.60 H new ATOM 0 H2'' DG B 4 9.840 10.693 52.522 1.00 8.60 H new ATOM 0 H1' DG B 4 10.561 12.779 52.863 1.00 8.52 H new ATOM 0 H8 DG B 4 10.789 12.671 49.203 1.00 7.03 H new ATOM 0 H1 DG B 4 6.452 16.423 51.361 1.00 8.46 H new ATOM 0 H21 DG B 4 7.299 15.478 54.366 1.00 9.46 H new ATOM 0 H22 DG B 4 6.384 16.346 53.572 1.00 9.46 H new ATOM 82 P DT B 5 11.289 9.032 54.572 1.00 10.26 P ATOM 83 OP1 DT B 5 11.851 8.981 55.946 1.00 10.13 O ATOM 84 OP2 DT B 5 11.406 7.844 53.683 1.00 8.90 O ATOM 85 O5' DT B 5 9.751 9.425 54.648 1.00 9.96 O ATOM 86 C5' DT B 5 9.307 10.499 55.485 1.00 9.69 C ATOM 87 C4' DT B 5 7.819 10.694 55.325 1.00 10.24 C ATOM 88 O4' DT B 5 7.504 11.512 54.170 1.00 10.17 O ATOM 89 C3' DT B 5 7.020 9.397 55.157 1.00 11.03 C ATOM 90 O3' DT B 5 5.846 9.459 55.961 1.00 13.54 O ATOM 91 C2' DT B 5 6.601 9.434 53.697 1.00 10.97 C ATOM 92 C1' DT B 5 6.384 10.923 53.537 1.00 10.70 C ATOM 93 N1 DT B 5 6.282 11.445 52.162 1.00 10.54 N ATOM 94 C2 DT B 5 5.456 12.532 51.956 1.00 9.98 C ATOM 95 O2 DT B 5 4.857 13.095 52.859 1.00 10.84 O ATOM 96 N3 DT B 5 5.359 12.939 50.650 1.00 9.46 N ATOM 97 C4 DT B 5 5.995 12.388 49.554 1.00 9.58 C ATOM 98 O4 DT B 5 5.795 12.854 48.436 1.00 10.05 O ATOM 99 C5 DT B 5 6.866 11.268 49.846 1.00 9.15 C ATOM 100 C7 DT B 5 7.615 10.619 48.724 1.00 8.59 C ATOM 101 C6 DT B 5 6.964 10.859 51.117 1.00 9.18 C ATOM 0 H5' DT B 5 9.775 11.316 55.252 1.00 9.69 H new ATOM 0 H5'' DT B 5 9.518 10.306 56.412 1.00 9.69 H new ATOM 0 H4' DT B 5 7.562 11.122 56.157 1.00 10.24 H new ATOM 0 H3' DT B 5 7.522 8.605 55.406 1.00 11.03 H new ATOM 0 H2' DT B 5 7.287 9.091 53.103 1.00 10.97 H new ATOM 0 H2'' DT B 5 5.796 8.920 53.527 1.00 10.97 H new ATOM 0 H1' DT B 5 5.517 11.137 53.917 1.00 10.70 H new ATOM 0 H3 DT B 5 4.846 13.612 50.496 1.00 9.46 H new ATOM 0 H71 DT B 5 7.104 10.700 47.904 1.00 8.59 H new ATOM 0 H72 DT B 5 8.474 11.055 48.613 1.00 8.59 H new ATOM 0 H73 DT B 5 7.753 9.681 48.927 1.00 8.59 H new ATOM 0 H6 DT B 5 7.523 10.140 51.305 1.00 9.18 H new ATOM 102 P DG B 6 5.251 8.118 56.613 1.00 14.10 P ATOM 103 OP1 DG B 6 6.218 7.663 57.641 1.00 13.79 O ATOM 104 OP2 DG B 6 4.834 7.187 55.530 1.00 14.00 O ATOM 105 O5' DG B 6 3.943 8.652 57.342 1.00 14.04 O ATOM 106 C5' DG B 6 3.994 9.847 58.133 1.00 13.63 C ATOM 107 C4' DG B 6 2.801 10.725 57.841 1.00 14.62 C ATOM 108 O4' DG B 6 2.917 11.324 56.526 1.00 12.60 O ATOM 109 C3' DG B 6 1.456 9.999 57.868 1.00 14.39 C ATOM 110 O3' DG B 6 0.507 10.783 58.588 1.00 16.71 O ATOM 111 C2' DG B 6 1.068 9.900 56.404 1.00 12.81 C ATOM 112 C1' DG B 6 1.710 11.139 55.804 1.00 12.79 C ATOM 113 N9 DG B 6 2.049 11.011 54.389 1.00 11.75 N ATOM 114 C8 DG B 6 3.000 10.185 53.841 1.00 12.70 C ATOM 115 N7 DG B 6 3.067 10.271 52.540 1.00 11.06 N ATOM 116 C5 DG B 6 2.105 11.215 52.205 1.00 11.77 C ATOM 117 C6 DG B 6 1.716 11.721 50.937 1.00 11.76 C ATOM 118 O6 DG B 6 2.162 11.424 49.817 1.00 12.09 O ATOM 119 N1 DG B 6 0.699 12.664 51.052 1.00 10.71 N ATOM 120 C2 DG B 6 0.129 13.070 52.234 1.00 11.28 C ATOM 121 N2 DG B 6 -0.849 13.985 52.137 1.00 12.31 N ATOM 122 N3 DG B 6 0.488 12.611 53.425 1.00 10.65 N ATOM 123 C4 DG B 6 1.471 11.689 53.336 1.00 11.06 C ATOM 0 H5' DG B 6 4.813 10.331 57.945 1.00 13.63 H new ATOM 0 H5'' DG B 6 4.011 9.617 59.075 1.00 13.63 H new ATOM 0 H4' DG B 6 2.811 11.383 58.553 1.00 14.62 H new ATOM 0 H3' DG B 6 1.493 9.131 58.300 1.00 14.39 H new ATOM 0 H2' DG B 6 1.404 9.087 55.996 1.00 12.81 H new ATOM 0 H2'' DG B 6 0.105 9.900 56.286 1.00 12.81 H new ATOM 0 H1' DG B 6 1.081 11.875 55.866 1.00 12.79 H new ATOM 0 H8 DG B 6 3.541 9.622 54.346 1.00 12.70 H new ATOM 0 H1 DG B 6 0.405 13.020 50.327 1.00 10.71 H new ATOM 0 H21 DG B 6 -1.240 14.274 52.847 1.00 12.31 H new ATOM 0 H22 DG B 6 -1.085 14.282 51.365 1.00 12.31 H new ATOM 124 P DG B 7 -0.826 10.095 59.159 1.00 18.09 P ATOM 125 OP1 DG B 7 -1.114 10.728 60.472 1.00 18.59 O ATOM 126 OP2 DG B 7 -0.686 8.623 59.071 1.00 17.14 O ATOM 127 O5' DG B 7 -1.943 10.549 58.120 1.00 17.17 O ATOM 128 C5' DG B 7 -2.322 11.930 58.029 1.00 15.12 C ATOM 129 C4' DG B 7 -3.390 12.121 56.977 1.00 14.64 C ATOM 130 O4' DG B 7 -2.827 12.027 55.647 1.00 12.40 O ATOM 131 C3' DG B 7 -4.561 11.140 57.017 1.00 13.63 C ATOM 132 O3' DG B 7 -5.757 11.883 56.770 1.00 14.10 O ATOM 133 C2' DG B 7 -4.263 10.196 55.863 1.00 12.55 C ATOM 134 C1' DG B 7 -3.612 11.141 54.867 1.00 11.36 C ATOM 135 N9 DG B 7 -2.739 10.541 53.861 1.00 11.94 N ATOM 136 C8 DG B 7 -1.712 9.649 54.066 1.00 11.36 C ATOM 137 N7 DG B 7 -1.081 9.335 52.966 1.00 10.84 N ATOM 138 C5 DG B 7 -1.737 10.056 51.974 1.00 10.94 C ATOM 139 C6 DG B 7 -1.494 10.131 50.574 1.00 10.90 C ATOM 140 O6 DG B 7 -0.619 9.565 49.913 1.00 11.24 O ATOM 141 N1 DG B 7 -2.402 10.977 49.941 1.00 10.79 N ATOM 142 C2 DG B 7 -3.414 11.663 50.572 1.00 11.77 C ATOM 143 N2 DG B 7 -4.201 12.420 49.787 1.00 11.20 N ATOM 144 N3 DG B 7 -3.642 11.608 51.876 1.00 11.18 N ATOM 145 C4 DG B 7 -2.773 10.792 52.511 1.00 11.60 C ATOM 0 H5' DG B 7 -1.546 12.470 57.811 1.00 15.12 H new ATOM 0 H5'' DG B 7 -2.649 12.238 58.889 1.00 15.12 H new ATOM 0 H4' DG B 7 -3.738 13.002 57.185 1.00 14.64 H new ATOM 0 H3' DG B 7 -4.671 10.666 57.856 1.00 13.63 H new ATOM 0 H2' DG B 7 -3.670 9.474 56.124 1.00 12.55 H new ATOM 0 H2'' DG B 7 -5.068 9.787 55.508 1.00 12.55 H new ATOM 0 H1' DG B 7 -4.329 11.545 54.354 1.00 11.36 H new ATOM 0 H8 DG B 7 -1.490 9.305 54.901 1.00 11.36 H new ATOM 0 H1 DG B 7 -2.324 11.078 49.091 1.00 10.79 H new ATOM 0 H21 DG B 7 -4.848 12.869 50.132 1.00 11.20 H new ATOM 0 H22 DG B 7 -4.057 12.455 48.940 1.00 11.20 H new ATOM 146 P DG B 8 -7.188 11.165 56.844 1.00 12.78 P ATOM 147 OP1 DG B 8 -8.114 12.125 57.501 1.00 14.49 O ATOM 148 OP2 DG B 8 -7.038 9.795 57.395 1.00 12.86 O ATOM 149 O5' DG B 8 -7.598 11.030 55.313 1.00 13.64 O ATOM 150 C5' DG B 8 -7.803 12.201 54.506 1.00 13.26 C ATOM 151 C4' DG B 8 -8.352 11.810 53.153 1.00 13.36 C ATOM 152 O4' DG B 8 -7.285 11.361 52.281 1.00 11.97 O ATOM 153 C3' DG B 8 -9.378 10.679 53.206 1.00 13.10 C ATOM 154 O3' DG B 8 -10.494 10.992 52.374 1.00 15.21 O ATOM 155 C2' DG B 8 -8.615 9.478 52.668 1.00 11.67 C ATOM 156 C1' DG B 8 -7.633 10.115 51.699 1.00 10.34 C ATOM 157 N9 DG B 8 -6.407 9.346 51.515 1.00 10.33 N ATOM 158 C8 DG B 8 -5.657 8.749 52.499 1.00 8.90 C ATOM 159 N7 DG B 8 -4.617 8.111 52.037 1.00 10.11 N ATOM 160 C5 DG B 8 -4.680 8.296 50.660 1.00 9.72 C ATOM 161 C6 DG B 8 -3.819 7.828 49.633 1.00 8.86 C ATOM 162 O6 DG B 8 -2.804 7.127 49.737 1.00 10.03 O ATOM 163 N1 DG B 8 -4.243 8.251 48.376 1.00 8.76 N ATOM 164 C2 DG B 8 -5.353 9.023 48.139 1.00 9.19 C ATOM 165 N2 DG B 8 -5.588 9.333 46.856 1.00 7.29 N ATOM 166 N3 DG B 8 -6.172 9.460 49.091 1.00 9.61 N ATOM 167 C4 DG B 8 -5.775 9.062 50.321 1.00 9.70 C ATOM 0 H5' DG B 8 -6.966 12.678 54.397 1.00 13.26 H new ATOM 0 H5'' DG B 8 -8.418 12.805 54.950 1.00 13.26 H new ATOM 0 H4' DG B 8 -8.785 12.612 52.821 1.00 13.36 H new ATOM 0 H3' DG B 8 -9.735 10.524 54.094 1.00 13.10 H new ATOM 0 H2' DG B 8 -8.161 8.993 53.375 1.00 11.67 H new ATOM 0 H2'' DG B 8 -9.203 8.847 52.223 1.00 11.67 H new ATOM 0 H1' DG B 8 -8.049 10.179 50.825 1.00 10.34 H new ATOM 0 H8 DG B 8 -5.869 8.795 53.403 1.00 8.90 H new ATOM 0 H1 DG B 8 -3.774 8.010 47.697 1.00 8.76 H new ATOM 0 H21 DG B 8 -6.270 9.814 46.648 1.00 7.29 H new ATOM 0 H22 DG B 8 -5.057 9.050 46.241 1.00 7.29 H new ATOM 168 P DC B 9 -11.762 10.012 52.343 1.00 13.67 P ATOM 169 OP1 DC B 9 -12.948 10.821 51.977 1.00 16.63 O ATOM 170 OP2 DC B 9 -11.780 9.207 53.589 1.00 15.32 O ATOM 171 O5' DC B 9 -11.425 9.031 51.137 1.00 14.49 O ATOM 172 C5' DC B 9 -11.009 9.556 49.867 1.00 13.65 C ATOM 173 C4' DC B 9 -10.574 8.439 48.948 1.00 15.24 C ATOM 174 O4' DC B 9 -9.194 8.045 49.161 1.00 13.54 O ATOM 175 C3' DC B 9 -11.402 7.153 49.038 1.00 14.95 C ATOM 176 O3' DC B 9 -11.648 6.679 47.723 1.00 18.85 O ATOM 177 C2' DC B 9 -10.444 6.175 49.693 1.00 14.73 C ATOM 178 C1' DC B 9 -9.160 6.638 49.042 1.00 13.00 C ATOM 179 N1 DC B 9 -7.907 6.133 49.619 1.00 10.78 N ATOM 180 C2 DC B 9 -6.851 5.832 48.752 1.00 9.71 C ATOM 181 O2 DC B 9 -6.976 6.085 47.545 1.00 8.63 O ATOM 182 N3 DC B 9 -5.726 5.279 49.249 1.00 9.02 N ATOM 183 C4 DC B 9 -5.620 5.045 50.558 1.00 9.86 C ATOM 184 N4 DC B 9 -4.499 4.469 50.998 1.00 9.12 N ATOM 185 C5 DC B 9 -6.661 5.384 51.472 1.00 9.50 C ATOM 186 C6 DC B 9 -7.776 5.924 50.964 1.00 10.80 C ATOM 0 H5' DC B 9 -10.278 10.181 49.993 1.00 13.65 H new ATOM 0 H5'' DC B 9 -11.738 10.050 49.461 1.00 13.65 H new ATOM 0 H4' DC B 9 -10.706 8.838 48.074 1.00 15.24 H new ATOM 0 H3' DC B 9 -12.244 7.270 49.505 1.00 14.95 H new ATOM 0 H2' DC B 9 -10.426 6.257 50.659 1.00 14.73 H new ATOM 0 H2'' DC B 9 -10.655 5.250 49.491 1.00 14.73 H new ATOM 0 H1' DC B 9 -9.140 6.292 48.136 1.00 13.00 H new ATOM 0 H41 DC B 9 -4.400 4.305 51.836 1.00 9.12 H new ATOM 0 H42 DC B 9 -3.876 4.262 50.443 1.00 9.12 H new ATOM 0 H5 DC B 9 -6.569 5.236 52.385 1.00 9.50 H new ATOM 0 H6 DC B 9 -8.472 6.160 51.534 1.00 10.80 H new ATOM 187 P DA B 10 -13.152 6.531 47.200 1.00 19.09 P ATOM 188 OP1 DA B 10 -13.784 7.875 47.248 1.00 21.58 O ATOM 189 OP2 DA B 10 -13.776 5.397 47.925 1.00 20.03 O ATOM 190 O5' DA B 10 -12.943 6.121 45.679 1.00 18.30 O ATOM 191 C5' DA B 10 -12.258 6.999 44.777 1.00 15.36 C ATOM 192 C4' DA B 10 -11.439 6.202 43.791 1.00 14.54 C ATOM 193 O4' DA B 10 -10.241 5.679 44.415 1.00 14.08 O ATOM 194 C3' DA B 10 -12.161 5.004 43.182 1.00 12.72 C ATOM 195 O3' DA B 10 -11.865 4.953 41.790 1.00 12.88 O ATOM 196 C2' DA B 10 -11.578 3.814 43.929 1.00 11.45 C ATOM 197 C1' DA B 10 -10.161 4.272 44.235 1.00 11.81 C ATOM 198 N9 DA B 10 -9.563 3.708 45.449 1.00 10.70 N ATOM 199 C8 DA B 10 -10.056 3.759 46.731 1.00 10.90 C ATOM 200 N7 DA B 10 -9.268 3.206 47.623 1.00 8.63 N ATOM 201 C5 DA B 10 -8.189 2.752 46.879 1.00 9.40 C ATOM 202 C6 DA B 10 -7.005 2.081 47.240 1.00 9.44 C ATOM 203 N6 DA B 10 -6.690 1.759 48.499 1.00 9.25 N ATOM 204 N1 DA B 10 -6.140 1.756 46.252 1.00 10.76 N ATOM 205 C2 DA B 10 -6.451 2.093 44.990 1.00 9.94 C ATOM 206 N3 DA B 10 -7.526 2.731 44.528 1.00 8.80 N ATOM 207 C4 DA B 10 -8.365 3.037 45.533 1.00 9.77 C ATOM 0 H5' DA B 10 -11.682 7.599 45.275 1.00 15.36 H new ATOM 0 H5'' DA B 10 -12.900 7.551 44.303 1.00 15.36 H new ATOM 0 H4' DA B 10 -11.245 6.839 43.086 1.00 14.54 H new ATOM 0 H3' DA B 10 -13.127 5.034 43.261 1.00 12.72 H new ATOM 0 H2' DA B 10 -12.076 3.618 44.738 1.00 11.45 H new ATOM 0 H2'' DA B 10 -11.587 3.009 43.388 1.00 11.45 H new ATOM 0 H1' DA B 10 -9.597 3.976 43.503 1.00 11.81 H new ATOM 0 H8 DA B 10 -10.872 4.149 46.946 1.00 10.90 H new ATOM 0 H61 DA B 10 -5.953 1.348 48.666 1.00 9.25 H new ATOM 0 H62 DA B 10 -7.224 1.962 49.141 1.00 9.25 H new ATOM 0 H2 DA B 10 -5.827 1.846 44.346 1.00 9.94 H new ATOM 208 P DC B 11 -12.701 3.979 40.831 1.00 12.55 P ATOM 209 OP1 DC B 11 -12.607 4.543 39.463 1.00 12.67 O ATOM 210 OP2 DC B 11 -14.036 3.728 41.435 1.00 12.12 O ATOM 211 O5' DC B 11 -11.855 2.634 40.882 1.00 11.38 O ATOM 212 C5' DC B 11 -10.505 2.618 40.397 1.00 11.01 C ATOM 213 C4' DC B 11 -9.874 1.267 40.635 1.00 11.78 C ATOM 214 O4' DC B 11 -9.396 1.142 41.998 1.00 13.06 O ATOM 215 C3' DC B 11 -10.792 0.068 40.384 1.00 11.39 C ATOM 216 O3' DC B 11 -10.109 -0.876 39.562 1.00 12.41 O ATOM 217 C2' DC B 11 -11.014 -0.508 41.774 1.00 11.56 C ATOM 218 C1' DC B 11 -9.695 -0.168 42.440 1.00 11.72 C ATOM 219 N1 DC B 11 -9.668 -0.184 43.913 1.00 10.28 N ATOM 220 C2 DC B 11 -8.501 -0.623 44.552 1.00 8.90 C ATOM 221 O2 DC B 11 -7.520 -0.943 43.865 1.00 11.22 O ATOM 222 N3 DC B 11 -8.466 -0.685 45.900 1.00 10.04 N ATOM 223 C4 DC B 11 -9.531 -0.317 46.612 1.00 9.59 C ATOM 224 N4 DC B 11 -9.445 -0.403 47.942 1.00 9.86 N ATOM 225 C5 DC B 11 -10.729 0.156 45.991 1.00 8.34 C ATOM 226 C6 DC B 11 -10.753 0.204 44.651 1.00 9.33 C ATOM 0 H5' DC B 11 -9.987 3.306 40.843 1.00 11.01 H new ATOM 0 H5'' DC B 11 -10.494 2.824 39.449 1.00 11.01 H new ATOM 0 H4' DC B 11 -9.153 1.241 39.987 1.00 11.78 H new ATOM 0 H3' DC B 11 -11.622 0.297 39.938 1.00 11.39 H new ATOM 0 H2' DC B 11 -11.769 -0.099 42.225 1.00 11.56 H new ATOM 0 H2'' DC B 11 -11.180 -1.464 41.753 1.00 11.56 H new ATOM 0 HO3' DC B 11 -10.613 -1.531 39.409 1.00 12.41 H new ATOM 0 H1' DC B 11 -9.057 -0.856 42.193 1.00 11.72 H new ATOM 0 H41 DC B 11 -10.114 -0.174 48.432 1.00 9.86 H new ATOM 0 H42 DC B 11 -8.721 -0.688 48.309 1.00 9.86 H new ATOM 0 H5 DC B 11 -11.463 0.420 46.497 1.00 8.34 H new ATOM 0 H6 DC B 11 -11.518 0.505 44.217 1.00 9.33 H new TER 227 DC B 11 ATOM 228 O5' DT C 51 -5.053 -5.036 55.054 1.00 21.68 O ATOM 229 C5' DT C 51 -5.056 -6.478 55.130 1.00 22.24 C ATOM 230 C4' DT C 51 -4.499 -7.112 53.876 1.00 20.53 C ATOM 231 O4' DT C 51 -5.572 -7.294 52.915 1.00 18.51 O ATOM 232 C3' DT C 51 -3.446 -6.235 53.201 1.00 18.88 C ATOM 233 O3' DT C 51 -2.247 -6.921 52.870 1.00 16.66 O ATOM 234 C2' DT C 51 -4.128 -5.689 51.962 1.00 18.42 C ATOM 235 C1' DT C 51 -5.300 -6.616 51.695 1.00 16.65 C ATOM 236 N1 DT C 51 -6.484 -5.808 51.350 1.00 14.57 N ATOM 237 C2 DT C 51 -6.935 -5.808 50.050 1.00 13.41 C ATOM 238 O2 DT C 51 -6.450 -6.503 49.173 1.00 14.00 O ATOM 239 N3 DT C 51 -7.987 -4.959 49.810 1.00 12.78 N ATOM 240 C4 DT C 51 -8.616 -4.132 50.720 1.00 12.58 C ATOM 241 O4 DT C 51 -9.531 -3.402 50.348 1.00 12.15 O ATOM 242 C5 DT C 51 -8.115 -4.204 52.074 1.00 12.66 C ATOM 243 C7 DT C 51 -8.745 -3.356 53.131 1.00 11.40 C ATOM 244 C6 DT C 51 -7.090 -5.033 52.318 1.00 12.60 C ATOM 0 H5' DT C 51 -5.962 -6.792 55.275 1.00 22.24 H new ATOM 0 H5'' DT C 51 -4.532 -6.762 55.895 1.00 22.24 H new ATOM 0 H4' DT C 51 -4.094 -7.953 54.141 1.00 20.53 H new ATOM 0 H3' DT C 51 -3.151 -5.539 53.809 1.00 18.88 H new ATOM 0 H2' DT C 51 -4.430 -4.778 52.103 1.00 18.42 H new ATOM 0 H2'' DT C 51 -3.518 -5.672 51.208 1.00 18.42 H new ATOM 0 HO5' DT C 51 -5.258 -4.715 55.803 1.00 21.68 H new ATOM 0 H1' DT C 51 -5.099 -7.232 50.973 1.00 16.65 H new ATOM 0 H3 DT C 51 -8.287 -4.940 49.004 1.00 12.78 H new ATOM 0 H71 DT C 51 -8.677 -3.804 53.989 1.00 11.40 H new ATOM 0 H72 DT C 51 -8.288 -2.502 53.176 1.00 11.40 H new ATOM 0 H73 DT C 51 -9.680 -3.211 52.915 1.00 11.40 H new ATOM 0 H6 DT C 51 -6.769 -5.089 53.189 1.00 12.60 H new ATOM 245 P DG C 52 -0.914 -6.062 52.606 1.00 16.54 P ATOM 246 OP1 DG C 52 0.280 -6.829 53.062 1.00 16.77 O ATOM 247 OP2 DG C 52 -1.154 -4.693 53.129 1.00 16.00 O ATOM 248 O5' DG C 52 -0.863 -5.954 51.017 1.00 15.47 O ATOM 249 C5' DG C 52 -0.837 -7.135 50.205 1.00 13.37 C ATOM 250 C4' DG C 52 -0.838 -6.756 48.745 1.00 11.62 C ATOM 251 O4' DG C 52 -2.094 -6.120 48.414 1.00 10.51 O ATOM 252 C3' DG C 52 0.253 -5.766 48.348 1.00 10.67 C ATOM 253 O3' DG C 52 0.722 -6.119 47.050 1.00 10.96 O ATOM 254 C2' DG C 52 -0.460 -4.424 48.367 1.00 10.11 C ATOM 255 C1' DG C 52 -1.880 -4.790 47.963 1.00 11.29 C ATOM 256 N9 DG C 52 -2.932 -3.962 48.543 1.00 10.25 N ATOM 257 C8 DG C 52 -3.130 -3.676 49.873 1.00 11.27 C ATOM 258 N7 DG C 52 -4.197 -2.952 50.091 1.00 9.74 N ATOM 259 C5 DG C 52 -4.724 -2.737 48.826 1.00 9.27 C ATOM 260 C6 DG C 52 -5.884 -2.027 48.425 1.00 10.44 C ATOM 261 O6 DG C 52 -6.714 -1.439 49.134 1.00 11.74 O ATOM 262 N1 DG C 52 -6.042 -2.046 47.042 1.00 10.73 N ATOM 263 C2 DG C 52 -5.196 -2.676 46.161 1.00 11.16 C ATOM 264 N2 DG C 52 -5.509 -2.576 44.864 1.00 11.63 N ATOM 265 N3 DG C 52 -4.121 -3.352 46.524 1.00 9.97 N ATOM 266 C4 DG C 52 -3.948 -3.339 47.860 1.00 9.79 C ATOM 0 H5' DG C 52 -1.607 -7.690 50.403 1.00 13.37 H new ATOM 0 H5'' DG C 52 -0.048 -7.661 50.410 1.00 13.37 H new ATOM 0 H4' DG C 52 -0.686 -7.588 48.269 1.00 11.62 H new ATOM 0 H3' DG C 52 1.030 -5.754 48.928 1.00 10.67 H new ATOM 0 H2' DG C 52 -0.430 -4.013 49.245 1.00 10.11 H new ATOM 0 H2'' DG C 52 -0.060 -3.795 47.746 1.00 10.11 H new ATOM 0 H1' DG C 52 -1.941 -4.665 47.003 1.00 11.29 H new ATOM 0 H8 DG C 52 -2.562 -3.968 50.549 1.00 11.27 H new ATOM 0 H1 DG C 52 -6.721 -1.632 46.714 1.00 10.73 H new ATOM 0 H21 DG C 52 -5.012 -2.952 44.271 1.00 11.63 H new ATOM 0 H22 DG C 52 -6.207 -2.136 44.623 1.00 11.63 H new ATOM 267 P DT C 53 1.950 -5.330 46.396 1.00 11.81 P ATOM 268 OP1 DT C 53 2.601 -6.256 45.438 1.00 12.58 O ATOM 269 OP2 DT C 53 2.758 -4.688 47.468 1.00 11.90 O ATOM 270 O5' DT C 53 1.226 -4.191 45.562 1.00 11.55 O ATOM 271 C5' DT C 53 0.282 -4.541 44.547 1.00 11.35 C ATOM 272 C4' DT C 53 -0.186 -3.302 43.826 1.00 11.15 C ATOM 273 O4' DT C 53 -1.270 -2.664 44.540 1.00 10.94 O ATOM 274 C3' DT C 53 0.891 -2.238 43.627 1.00 11.73 C ATOM 275 O3' DT C 53 0.908 -1.847 42.257 1.00 13.03 O ATOM 276 C2' DT C 53 0.454 -1.098 44.537 1.00 10.21 C ATOM 277 C1' DT C 53 -1.055 -1.265 44.557 1.00 10.38 C ATOM 278 N1 DT C 53 -1.773 -0.716 45.729 1.00 9.92 N ATOM 279 C2 DT C 53 -2.989 -0.107 45.502 1.00 9.80 C ATOM 280 O2 DT C 53 -3.473 0.027 44.390 1.00 10.25 O ATOM 281 N3 DT C 53 -3.626 0.342 46.631 1.00 9.45 N ATOM 282 C4 DT C 53 -3.173 0.265 47.933 1.00 8.14 C ATOM 283 O4 DT C 53 -3.868 0.703 48.846 1.00 7.18 O ATOM 284 C5 DT C 53 -1.875 -0.358 48.098 1.00 7.95 C ATOM 285 C7 DT C 53 -1.290 -0.460 49.471 1.00 8.47 C ATOM 286 C6 DT C 53 -1.248 -0.810 47.002 1.00 9.09 C ATOM 0 H5' DT C 53 -0.476 -4.999 44.944 1.00 11.35 H new ATOM 0 H5'' DT C 53 0.687 -5.157 43.917 1.00 11.35 H new ATOM 0 H4' DT C 53 -0.461 -3.629 42.955 1.00 11.15 H new ATOM 0 H3' DT C 53 1.789 -2.537 43.841 1.00 11.73 H new ATOM 0 H2' DT C 53 0.839 -1.174 45.424 1.00 10.21 H new ATOM 0 H2'' DT C 53 0.718 -0.233 44.187 1.00 10.21 H new ATOM 0 H1' DT C 53 -1.406 -0.766 43.803 1.00 10.38 H new ATOM 0 H3 DT C 53 -4.393 0.713 46.515 1.00 9.45 H new ATOM 0 H71 DT C 53 -0.726 -1.247 49.525 1.00 8.47 H new ATOM 0 H72 DT C 53 -0.759 0.330 49.656 1.00 8.47 H new ATOM 0 H73 DT C 53 -2.005 -0.529 50.123 1.00 8.47 H new ATOM 0 H6 DT C 53 -0.414 -1.208 47.105 1.00 9.09 H new ATOM 287 P DG C 54 2.088 -0.913 41.706 1.00 12.09 P ATOM 288 OP1 DG C 54 2.387 -1.321 40.311 1.00 12.48 O ATOM 289 OP2 DG C 54 3.181 -0.876 42.711 1.00 11.01 O ATOM 290 O5' DG C 54 1.390 0.514 41.673 1.00 10.65 O ATOM 291 C5' DG C 54 0.086 0.664 41.100 1.00 10.25 C ATOM 292 C4' DG C 54 -0.486 2.011 41.464 1.00 10.95 C ATOM 293 O4' DG C 54 -1.084 2.006 42.786 1.00 10.36 O ATOM 294 C3' DG C 54 0.550 3.136 41.469 1.00 12.36 C ATOM 295 O3' DG C 54 -0.005 4.276 40.838 1.00 13.71 O ATOM 296 C2' DG C 54 0.717 3.454 42.944 1.00 11.54 C ATOM 297 C1' DG C 54 -0.695 3.208 43.421 1.00 10.43 C ATOM 298 N9 DG C 54 -0.857 3.058 44.863 1.00 9.46 N ATOM 299 C8 DG C 54 0.029 2.502 45.757 1.00 10.12 C ATOM 300 N7 DG C 54 -0.375 2.590 46.996 1.00 8.85 N ATOM 301 C5 DG C 54 -1.607 3.227 46.913 1.00 9.51 C ATOM 302 C6 DG C 54 -2.516 3.613 47.932 1.00 8.76 C ATOM 303 O6 DG C 54 -2.406 3.482 49.156 1.00 10.31 O ATOM 304 N1 DG C 54 -3.649 4.224 47.403 1.00 9.76 N ATOM 305 C2 DG C 54 -3.874 4.445 46.066 1.00 9.48 C ATOM 306 N2 DG C 54 -5.029 5.051 45.752 1.00 10.76 N ATOM 307 N3 DG C 54 -3.031 4.100 45.109 1.00 8.83 N ATOM 308 C4 DG C 54 -1.925 3.500 45.599 1.00 9.41 C ATOM 0 H5' DG C 54 -0.499 -0.041 41.419 1.00 10.25 H new ATOM 0 H5'' DG C 54 0.136 0.576 40.135 1.00 10.25 H new ATOM 0 H4' DG C 54 -1.147 2.176 40.774 1.00 10.95 H new ATOM 0 H3' DG C 54 1.375 2.896 41.019 1.00 12.36 H new ATOM 0 H2' DG C 54 1.362 2.875 43.378 1.00 11.54 H new ATOM 0 H2'' DG C 54 1.007 4.367 43.097 1.00 11.54 H new ATOM 0 H1' DG C 54 -1.234 3.984 43.201 1.00 10.43 H new ATOM 0 H8 DG C 54 0.832 2.105 45.505 1.00 10.12 H new ATOM 0 H1 DG C 54 -4.255 4.483 47.956 1.00 9.76 H new ATOM 0 H21 DG C 54 -5.220 5.213 44.929 1.00 10.76 H new ATOM 0 H22 DG C 54 -5.579 5.277 46.374 1.00 10.76 H new ATOM 309 P DC C 55 0.539 4.725 39.405 1.00 14.22 P ATOM 310 OP1 DC C 55 0.132 3.709 38.400 1.00 15.04 O ATOM 311 OP2 DC C 55 1.968 5.092 39.549 1.00 13.44 O ATOM 312 O5' DC C 55 -0.274 6.057 39.150 1.00 14.79 O ATOM 313 C5' DC C 55 -0.192 7.118 40.093 1.00 14.23 C ATOM 314 C4' DC C 55 -1.569 7.653 40.386 1.00 13.39 C ATOM 315 O4' DC C 55 -2.147 6.894 41.484 1.00 12.93 O ATOM 316 C3' DC C 55 -1.479 9.097 40.859 1.00 13.11 C ATOM 317 O3' DC C 55 -2.127 9.998 39.990 1.00 12.53 O ATOM 318 C2' DC C 55 -2.111 9.126 42.234 1.00 15.26 C ATOM 319 C1' DC C 55 -2.719 7.762 42.457 1.00 12.97 C ATOM 320 N1 DC C 55 -2.261 7.337 43.787 1.00 10.45 N ATOM 321 C2 DC C 55 -3.077 7.605 44.892 1.00 10.07 C ATOM 322 O2 DC C 55 -4.203 8.083 44.703 1.00 9.77 O ATOM 323 N3 DC C 55 -2.614 7.341 46.135 1.00 9.47 N ATOM 324 C4 DC C 55 -1.399 6.823 46.298 1.00 8.80 C ATOM 325 N4 DC C 55 -0.960 6.633 47.545 1.00 6.17 N ATOM 326 C5 DC C 55 -0.566 6.486 45.187 1.00 8.69 C ATOM 327 C6 DC C 55 -1.036 6.751 43.958 1.00 10.40 C ATOM 0 H5' DC C 55 0.372 7.827 39.746 1.00 14.23 H new ATOM 0 H5'' DC C 55 0.222 6.802 40.912 1.00 14.23 H new ATOM 0 H4' DC C 55 -2.103 7.587 39.579 1.00 13.39 H new ATOM 0 H3' DC C 55 -0.553 9.384 40.878 1.00 13.11 H new ATOM 0 H2' DC C 55 -1.448 9.324 42.914 1.00 15.26 H new ATOM 0 H2'' DC C 55 -2.788 9.819 42.288 1.00 15.26 H new ATOM 0 H1' DC C 55 -3.687 7.758 42.393 1.00 12.97 H new ATOM 0 H41 DC C 55 -0.179 6.300 47.680 1.00 6.17 H new ATOM 0 H42 DC C 55 -1.459 6.844 48.213 1.00 6.17 H new ATOM 0 H5 DC C 55 0.270 6.098 45.311 1.00 8.69 H new ATOM 0 H6 DC C 55 -0.523 6.534 43.213 1.00 10.40 H new ATOM 328 P DC C 56 -1.670 11.528 40.004 1.00 13.49 P ATOM 329 OP1 DC C 56 -1.933 12.108 38.662 1.00 13.67 O ATOM 330 OP2 DC C 56 -0.301 11.588 40.579 1.00 10.46 O ATOM 331 O5' DC C 56 -2.670 12.168 41.058 1.00 11.60 O ATOM 332 C5' DC C 56 -4.079 11.956 40.926 1.00 11.96 C ATOM 333 C4' DC C 56 -4.804 12.641 42.056 1.00 11.90 C ATOM 334 O4' DC C 56 -4.530 11.950 43.299 1.00 10.49 O ATOM 335 C3' DC C 56 -4.357 14.085 42.262 1.00 11.08 C ATOM 336 O3' DC C 56 -5.497 14.884 42.561 1.00 12.83 O ATOM 337 C2' DC C 56 -3.392 13.999 43.435 1.00 10.81 C ATOM 338 C1' DC C 56 -3.931 12.826 44.241 1.00 9.56 C ATOM 339 N1 DC C 56 -2.904 12.059 44.970 1.00 9.53 N ATOM 340 C2 DC C 56 -3.029 11.901 46.357 1.00 9.44 C ATOM 341 O2 DC C 56 -3.989 12.427 46.941 1.00 10.83 O ATOM 342 N3 DC C 56 -2.098 11.180 47.025 1.00 10.29 N ATOM 343 C4 DC C 56 -1.074 10.635 46.365 1.00 8.19 C ATOM 344 N4 DC C 56 -0.182 9.932 47.068 1.00 7.81 N ATOM 345 C5 DC C 56 -0.918 10.788 44.956 1.00 8.10 C ATOM 346 C6 DC C 56 -1.847 11.501 44.305 1.00 8.19 C ATOM 0 H5' DC C 56 -4.274 11.006 40.934 1.00 11.96 H new ATOM 0 H5'' DC C 56 -4.389 12.302 40.074 1.00 11.96 H new ATOM 0 H4' DC C 56 -5.744 12.626 41.818 1.00 11.90 H new ATOM 0 H3' DC C 56 -3.936 14.490 41.487 1.00 11.08 H new ATOM 0 H2' DC C 56 -2.481 13.843 43.140 1.00 10.81 H new ATOM 0 H2'' DC C 56 -3.385 14.818 43.955 1.00 10.81 H new ATOM 0 H1' DC C 56 -4.535 13.179 44.913 1.00 9.56 H new ATOM 0 H41 DC C 56 0.489 9.569 46.671 1.00 7.81 H new ATOM 0 H42 DC C 56 -0.278 9.843 47.918 1.00 7.81 H new ATOM 0 H5 DC C 56 -0.199 10.407 44.506 1.00 8.10 H new ATOM 0 H6 DC C 56 -1.772 11.618 43.386 1.00 8.19 H new ATOM 347 P DC C 57 -5.362 16.480 42.610 1.00 13.27 P ATOM 348 OP1 DC C 57 -6.723 17.029 42.407 1.00 14.21 O ATOM 349 OP2 DC C 57 -4.259 16.895 41.709 1.00 14.65 O ATOM 350 O5' DC C 57 -4.938 16.750 44.116 1.00 12.46 O ATOM 351 C5' DC C 57 -5.782 16.281 45.170 1.00 13.05 C ATOM 352 C4' DC C 57 -5.164 16.560 46.517 1.00 14.00 C ATOM 353 O4' DC C 57 -4.169 15.569 46.870 1.00 14.52 O ATOM 354 C3' DC C 57 -4.504 17.928 46.679 1.00 14.52 C ATOM 355 O3' DC C 57 -5.086 18.564 47.815 1.00 15.54 O ATOM 356 C2' DC C 57 -3.033 17.598 46.905 1.00 15.23 C ATOM 357 C1' DC C 57 -3.102 16.216 47.537 1.00 13.33 C ATOM 358 N1 DC C 57 -1.902 15.362 47.415 1.00 12.20 N ATOM 359 C2 DC C 57 -1.386 14.762 48.574 1.00 9.41 C ATOM 360 O2 DC C 57 -1.941 14.975 49.659 1.00 11.22 O ATOM 361 N3 DC C 57 -0.299 13.966 48.479 1.00 8.35 N ATOM 362 C4 DC C 57 0.282 13.764 47.296 1.00 8.05 C ATOM 363 N4 DC C 57 1.359 12.978 47.258 1.00 6.88 N ATOM 364 C5 DC C 57 -0.216 14.364 46.099 1.00 9.14 C ATOM 365 C6 DC C 57 -1.301 15.148 46.205 1.00 10.53 C ATOM 0 H5' DC C 57 -5.932 15.328 45.070 1.00 13.05 H new ATOM 0 H5'' DC C 57 -6.649 16.712 45.112 1.00 13.05 H new ATOM 0 H4' DC C 57 -5.934 16.532 47.107 1.00 14.00 H new ATOM 0 H3' DC C 57 -4.616 18.527 45.924 1.00 14.52 H new ATOM 0 H2' DC C 57 -2.532 17.591 46.074 1.00 15.23 H new ATOM 0 H2'' DC C 57 -2.604 18.242 47.490 1.00 15.23 H new ATOM 0 H1' DC C 57 -3.204 16.341 48.494 1.00 13.33 H new ATOM 0 H41 DC C 57 1.756 12.828 46.510 1.00 6.88 H new ATOM 0 H42 DC C 57 1.656 12.621 47.982 1.00 6.88 H new ATOM 0 H5 DC C 57 0.195 14.217 45.278 1.00 9.14 H new ATOM 0 H6 DC C 57 -1.650 15.552 45.443 1.00 10.53 H new ATOM 366 P DA C 58 -4.813 20.120 48.095 1.00 17.85 P ATOM 367 OP1 DA C 58 -6.028 20.698 48.725 1.00 18.96 O ATOM 368 OP2 DA C 58 -4.235 20.757 46.887 1.00 16.19 O ATOM 369 O5' DA C 58 -3.688 20.043 49.208 1.00 14.63 O ATOM 370 C5' DA C 58 -3.812 19.085 50.261 1.00 18.35 C ATOM 371 C4' DA C 58 -2.598 19.138 51.147 1.00 18.49 C ATOM 372 O4' DA C 58 -1.654 18.102 50.785 1.00 18.21 O ATOM 373 C3' DA C 58 -1.854 20.471 51.066 1.00 19.35 C ATOM 374 O3' DA C 58 -1.755 21.044 52.362 1.00 22.70 O ATOM 375 C2' DA C 58 -0.491 20.099 50.502 1.00 18.95 C ATOM 376 C1' DA C 58 -0.346 18.629 50.862 1.00 16.84 C ATOM 377 N9 DA C 58 0.502 17.883 49.932 1.00 14.32 N ATOM 378 C8 DA C 58 0.602 18.063 48.575 1.00 13.38 C ATOM 379 N7 DA C 58 1.503 17.303 48.004 1.00 12.64 N ATOM 380 C5 DA C 58 2.022 16.556 49.052 1.00 11.40 C ATOM 381 C6 DA C 58 3.025 15.571 49.105 1.00 10.72 C ATOM 382 N6 DA C 58 3.733 15.177 48.040 1.00 9.30 N ATOM 383 N1 DA C 58 3.291 15.012 50.305 1.00 9.01 N ATOM 384 C2 DA C 58 2.596 15.425 51.374 1.00 9.13 C ATOM 385 N3 DA C 58 1.640 16.349 51.453 1.00 10.49 N ATOM 386 C4 DA C 58 1.397 16.884 50.243 1.00 12.33 C ATOM 0 H5' DA C 58 -3.912 18.195 49.889 1.00 18.35 H new ATOM 0 H5'' DA C 58 -4.610 19.266 50.781 1.00 18.35 H new ATOM 0 H4' DA C 58 -2.933 19.016 52.049 1.00 18.49 H new ATOM 0 H3' DA C 58 -2.299 21.133 50.514 1.00 19.35 H new ATOM 0 H2' DA C 58 -0.452 20.237 49.543 1.00 18.95 H new ATOM 0 H2'' DA C 58 0.216 20.634 50.895 1.00 18.95 H new ATOM 0 H1' DA C 58 0.070 18.550 51.735 1.00 16.84 H new ATOM 0 H8 DA C 58 0.078 18.670 48.104 1.00 13.38 H new ATOM 0 H61 DA C 58 4.336 14.570 48.125 1.00 9.30 H new ATOM 0 H62 DA C 58 3.585 15.531 47.270 1.00 9.30 H new ATOM 0 H2 DA C 58 2.812 15.006 52.176 1.00 9.13 H new ATOM 387 P DC C 59 -1.006 22.449 52.565 1.00 22.94 P ATOM 388 OP1 DC C 59 -1.912 23.362 53.303 1.00 23.73 O ATOM 389 OP2 DC C 59 -0.396 22.891 51.288 1.00 22.54 O ATOM 390 O5' DC C 59 0.154 22.013 53.555 1.00 22.96 O ATOM 391 C5' DC C 59 -0.101 20.983 54.518 1.00 21.64 C ATOM 392 C4' DC C 59 1.199 20.455 55.070 1.00 21.72 C ATOM 393 O4' DC C 59 1.814 19.522 54.147 1.00 19.46 O ATOM 394 C3' DC C 59 2.225 21.554 55.333 1.00 23.46 C ATOM 395 O3' DC C 59 2.770 21.395 56.639 1.00 27.90 O ATOM 396 C2' DC C 59 3.273 21.338 54.252 1.00 20.83 C ATOM 397 C1' DC C 59 3.185 19.842 54.009 1.00 19.03 C ATOM 398 N1 DC C 59 3.630 19.399 52.674 1.00 16.97 N ATOM 399 C2 DC C 59 4.505 18.305 52.581 1.00 15.82 C ATOM 400 O2 DC C 59 4.846 17.718 53.620 1.00 16.09 O ATOM 401 N3 DC C 59 4.951 17.915 51.365 1.00 13.14 N ATOM 402 C4 DC C 59 4.550 18.562 50.270 1.00 12.34 C ATOM 403 N4 DC C 59 5.028 18.151 49.091 1.00 11.40 N ATOM 404 C5 DC C 59 3.644 19.663 50.332 1.00 14.13 C ATOM 405 C6 DC C 59 3.213 20.045 51.544 1.00 14.74 C ATOM 0 H5' DC C 59 -0.602 20.262 54.106 1.00 21.64 H new ATOM 0 H5'' DC C 59 -0.648 21.333 55.239 1.00 21.64 H new ATOM 0 H4' DC C 59 0.963 20.025 55.907 1.00 21.72 H new ATOM 0 H3' DC C 59 1.857 22.451 55.302 1.00 23.46 H new ATOM 0 H2' DC C 59 3.076 21.847 53.450 1.00 20.83 H new ATOM 0 H2'' DC C 59 4.158 21.605 54.547 1.00 20.83 H new ATOM 0 H1' DC C 59 3.776 19.397 54.637 1.00 19.03 H new ATOM 0 H41 DC C 59 4.788 18.549 48.367 1.00 11.40 H new ATOM 0 H42 DC C 59 5.576 17.489 49.056 1.00 11.40 H new ATOM 0 H5 DC C 59 3.363 20.100 49.561 1.00 14.13 H new ATOM 0 H6 DC C 59 2.622 20.760 51.616 1.00 14.74 H new ATOM 406 P DG C 60 3.825 22.464 57.196 1.00 30.66 P ATOM 407 OP1 DG C 60 3.518 22.687 58.631 1.00 32.78 O ATOM 408 OP2 DG C 60 3.892 23.624 56.266 1.00 31.39 O ATOM 409 O5' DG C 60 5.195 21.673 57.082 1.00 28.40 O ATOM 410 C5' DG C 60 5.299 20.330 57.579 1.00 25.06 C ATOM 411 C4' DG C 60 6.700 19.819 57.378 1.00 22.60 C ATOM 412 O4' DG C 60 6.841 19.253 56.051 1.00 22.29 O ATOM 413 C3' DG C 60 7.730 20.941 57.487 1.00 22.32 C ATOM 414 O3' DG C 60 8.796 20.605 58.358 1.00 22.70 O ATOM 415 C2' DG C 60 8.235 21.131 56.070 1.00 22.26 C ATOM 416 C1' DG C 60 7.986 19.789 55.408 1.00 20.96 C ATOM 417 N9 DG C 60 7.668 19.957 53.995 1.00 18.12 N ATOM 418 C8 DG C 60 6.730 20.810 53.471 1.00 16.68 C ATOM 419 N7 DG C 60 6.701 20.804 52.168 1.00 16.13 N ATOM 420 C5 DG C 60 7.670 19.880 51.808 1.00 14.56 C ATOM 421 C6 DG C 60 8.099 19.464 50.526 1.00 14.18 C ATOM 422 O6 DG C 60 7.702 19.850 49.423 1.00 12.70 O ATOM 423 N1 DG C 60 9.100 18.502 50.608 1.00 12.07 N ATOM 424 C2 DG C 60 9.624 18.009 51.776 1.00 13.59 C ATOM 425 N2 DG C 60 10.579 17.079 51.643 1.00 15.04 N ATOM 426 N3 DG C 60 9.241 18.399 52.983 1.00 14.66 N ATOM 427 C4 DG C 60 8.265 19.333 52.922 1.00 16.04 C ATOM 0 H5' DG C 60 4.667 19.756 57.118 1.00 25.06 H new ATOM 0 H5'' DG C 60 5.069 20.306 58.521 1.00 25.06 H new ATOM 0 H4' DG C 60 6.855 19.155 58.068 1.00 22.60 H new ATOM 0 H3' DG C 60 7.339 21.747 57.859 1.00 22.32 H new ATOM 0 H2' DG C 60 7.760 21.844 55.616 1.00 22.26 H new ATOM 0 H2'' DG C 60 9.176 21.364 56.057 1.00 22.26 H new ATOM 0 H1' DG C 60 8.770 19.223 55.480 1.00 20.96 H new ATOM 0 H8 DG C 60 6.171 21.339 53.993 1.00 16.68 H new ATOM 0 H1 DG C 60 9.415 18.192 49.870 1.00 12.07 H new ATOM 0 H21 DG C 60 10.944 16.734 52.341 1.00 15.04 H new ATOM 0 H22 DG C 60 10.827 16.827 50.859 1.00 15.04 H new ATOM 428 P DC C 61 9.805 21.756 58.835 1.00 24.08 P ATOM 429 OP1 DC C 61 9.967 21.647 60.308 1.00 25.80 O ATOM 430 OP2 DC C 61 9.358 23.041 58.236 1.00 24.88 O ATOM 431 O5' DC C 61 11.165 21.336 58.130 1.00 22.76 O ATOM 432 C5' DC C 61 11.656 19.993 58.254 1.00 19.27 C ATOM 433 C4' DC C 61 12.772 19.750 57.267 1.00 16.88 C ATOM 434 O4' DC C 61 12.233 19.662 55.924 1.00 15.36 O ATOM 435 C3' DC C 61 13.829 20.855 57.233 1.00 16.30 C ATOM 436 O3' DC C 61 15.111 20.272 57.020 1.00 18.66 O ATOM 437 C2' DC C 61 13.458 21.646 55.991 1.00 15.15 C ATOM 438 C1' DC C 61 12.955 20.541 55.084 1.00 13.97 C ATOM 439 N1 DC C 61 12.069 20.970 53.988 1.00 13.87 N ATOM 440 C2 DC C 61 12.255 20.407 52.721 1.00 12.61 C ATOM 441 O2 DC C 61 13.112 19.524 52.579 1.00 12.12 O ATOM 442 N3 DC C 61 11.497 20.836 51.688 1.00 13.64 N ATOM 443 C4 DC C 61 10.572 21.778 51.885 1.00 13.10 C ATOM 444 N4 DC C 61 9.871 22.195 50.825 1.00 12.30 N ATOM 445 C5 DC C 61 10.330 22.340 53.173 1.00 12.04 C ATOM 446 C6 DC C 61 11.097 21.911 54.188 1.00 13.25 C ATOM 0 H5' DC C 61 10.935 19.363 58.098 1.00 19.27 H new ATOM 0 H5'' DC C 61 11.976 19.841 59.157 1.00 19.27 H new ATOM 0 H4' DC C 61 13.192 18.927 57.562 1.00 16.88 H new ATOM 0 H3' DC C 61 13.859 21.381 58.047 1.00 16.30 H new ATOM 0 H2' DC C 61 12.776 22.312 56.170 1.00 15.15 H new ATOM 0 H2'' DC C 61 14.219 22.113 55.613 1.00 15.15 H new ATOM 0 HO3' DC C 61 15.594 20.402 57.695 1.00 18.66 H new ATOM 0 H1' DC C 61 13.724 20.148 54.642 1.00 13.97 H new ATOM 0 H41 DC C 61 9.268 22.801 50.920 1.00 12.30 H new ATOM 0 H42 DC C 61 10.023 21.857 50.049 1.00 12.30 H new ATOM 0 H5 DC C 61 9.667 22.979 53.305 1.00 12.04 H new ATOM 0 H6 DC C 61 10.965 22.259 55.040 1.00 13.25 H new TER 447 DC C 61 ATOM 448 N ARG A 103 -15.318 8.439 62.436 1.00 25.84 N ATOM 449 CA ARG A 103 -14.019 7.778 62.481 1.00 25.23 C ATOM 450 C ARG A 103 -13.961 6.807 63.655 1.00 23.47 C ATOM 451 O ARG A 103 -13.525 7.152 64.750 1.00 24.47 O ATOM 452 CB ARG A 103 -12.903 8.818 62.552 1.00 24.62 C ATOM 453 CG ARG A 103 -12.914 9.741 61.348 1.00 25.06 C ATOM 454 CD ARG A 103 -11.681 10.602 61.267 1.00 25.18 C ATOM 455 NE ARG A 103 -11.672 11.373 60.028 1.00 25.70 N ATOM 456 CZ ARG A 103 -10.573 11.749 59.378 1.00 25.27 C ATOM 457 NH1 ARG A 103 -9.370 11.426 59.837 1.00 22.01 N ATOM 458 NH2 ARG A 103 -10.684 12.480 58.277 1.00 25.62 N ATOM 0 HA ARG A 103 -13.893 7.264 61.668 1.00 25.23 H new ATOM 0 HB2 ARG A 103 -13.001 9.342 63.362 1.00 24.62 H new ATOM 0 HB3 ARG A 103 -12.045 8.368 62.607 1.00 24.62 H new ATOM 0 HG2 ARG A 103 -12.988 9.211 60.539 1.00 25.06 H new ATOM 0 HG3 ARG A 103 -13.699 10.309 61.387 1.00 25.06 H new ATOM 0 HD2 ARG A 103 -11.650 11.203 62.028 1.00 25.18 H new ATOM 0 HD3 ARG A 103 -10.888 10.045 61.313 1.00 25.18 H new ATOM 0 HE ARG A 103 -12.431 11.601 59.694 1.00 25.70 H new ATOM 0 HH11 ARG A 103 -9.295 10.969 60.562 1.00 22.01 H new ATOM 0 HH12 ARG A 103 -8.666 11.674 59.410 1.00 22.01 H new ATOM 0 HH21 ARG A 103 -11.462 12.707 57.988 1.00 25.62 H new ATOM 0 HH22 ARG A 103 -9.978 12.727 57.852 1.00 25.62 H new ATOM 459 N PRO A 104 -14.360 5.552 63.412 1.00 22.41 N ATOM 460 CA PRO A 104 -14.385 4.493 64.421 1.00 21.37 C ATOM 461 C PRO A 104 -13.039 3.923 64.843 1.00 19.95 C ATOM 462 O PRO A 104 -12.946 3.310 65.905 1.00 19.22 O ATOM 463 CB PRO A 104 -15.216 3.386 63.754 1.00 21.56 C ATOM 464 CG PRO A 104 -15.740 3.984 62.474 1.00 22.00 C ATOM 465 CD PRO A 104 -14.743 5.020 62.098 1.00 21.99 C ATOM 0 HA PRO A 104 -14.738 4.856 65.248 1.00 21.37 H new ATOM 0 HB2 PRO A 104 -14.673 2.602 63.576 1.00 21.56 H new ATOM 0 HB3 PRO A 104 -15.944 3.102 64.329 1.00 21.56 H new ATOM 0 HG2 PRO A 104 -15.826 3.311 61.781 1.00 22.00 H new ATOM 0 HG3 PRO A 104 -16.619 4.373 62.602 1.00 22.00 H new ATOM 0 HD2 PRO A 104 -13.986 4.642 61.623 1.00 21.99 H new ATOM 0 HD3 PRO A 104 -15.125 5.703 61.525 1.00 21.99 H new ATOM 466 N TYR A 105 -12.002 4.129 64.033 1.00 18.11 N ATOM 467 CA TYR A 105 -10.701 3.546 64.337 1.00 16.60 C ATOM 468 C TYR A 105 -9.616 4.474 64.837 1.00 16.67 C ATOM 469 O TYR A 105 -8.949 5.142 64.054 1.00 15.82 O ATOM 470 CB TYR A 105 -10.214 2.755 63.138 1.00 15.82 C ATOM 471 CG TYR A 105 -11.272 1.825 62.618 1.00 16.32 C ATOM 472 CD1 TYR A 105 -11.513 0.599 63.234 1.00 15.54 C ATOM 473 CD2 TYR A 105 -12.048 2.174 61.510 1.00 15.84 C ATOM 474 CE1 TYR A 105 -12.496 -0.256 62.760 1.00 17.95 C ATOM 475 CE2 TYR A 105 -13.029 1.326 61.031 1.00 16.56 C ATOM 476 CZ TYR A 105 -13.247 0.115 61.658 1.00 17.07 C ATOM 477 OH TYR A 105 -14.220 -0.730 61.187 1.00 20.16 O ATOM 0 H TYR A 105 -12.031 4.597 63.312 1.00 18.11 H new ATOM 0 HA TYR A 105 -10.869 2.980 65.107 1.00 16.60 H new ATOM 0 HB2 TYR A 105 -9.946 3.366 62.434 1.00 15.82 H new ATOM 0 HB3 TYR A 105 -9.427 2.244 63.385 1.00 15.82 H new ATOM 0 HD1 TYR A 105 -11.007 0.351 63.974 1.00 15.54 H new ATOM 0 HD2 TYR A 105 -11.902 2.990 61.088 1.00 15.84 H new ATOM 0 HE1 TYR A 105 -12.650 -1.072 63.179 1.00 17.95 H new ATOM 0 HE2 TYR A 105 -13.538 1.569 60.292 1.00 16.56 H new ATOM 0 HH TYR A 105 -14.595 -0.382 60.521 1.00 20.16 H new ATOM 478 N ALA A 106 -9.385 4.424 66.146 1.00 16.01 N ATOM 479 CA ALA A 106 -8.393 5.264 66.800 1.00 15.47 C ATOM 480 C ALA A 106 -7.033 4.593 66.921 1.00 15.27 C ATOM 481 O ALA A 106 -6.947 3.398 67.187 1.00 15.08 O ATOM 482 CB ALA A 106 -8.897 5.663 68.185 1.00 15.93 C ATOM 0 H ALA A 106 -9.804 3.897 66.681 1.00 16.01 H new ATOM 0 HA ALA A 106 -8.271 6.049 66.243 1.00 15.47 H new ATOM 0 HB1 ALA A 106 -8.236 6.223 68.621 1.00 15.93 H new ATOM 0 HB2 ALA A 106 -9.729 6.154 68.098 1.00 15.93 H new ATOM 0 HB3 ALA A 106 -9.047 4.866 68.717 1.00 15.93 H new ATOM 483 N CYS A 107 -5.965 5.366 66.725 1.00 15.21 N ATOM 484 CA CYS A 107 -4.613 4.823 66.860 1.00 15.54 C ATOM 485 C CYS A 107 -4.446 4.481 68.333 1.00 16.04 C ATOM 486 O CYS A 107 -4.697 5.316 69.194 1.00 15.81 O ATOM 487 CB CYS A 107 -3.558 5.846 66.462 1.00 13.97 C ATOM 488 SG CYS A 107 -1.910 5.187 66.713 1.00 13.89 S ATOM 0 H CYS A 107 -6.000 6.199 66.515 1.00 15.21 H new ATOM 0 HA CYS A 107 -4.499 4.053 66.282 1.00 15.54 H new ATOM 0 HB2 CYS A 107 -3.675 6.092 65.531 1.00 13.97 H new ATOM 0 HB3 CYS A 107 -3.671 6.655 66.986 1.00 13.97 H new ATOM 489 N PRO A 108 -4.060 3.239 68.638 1.00 16.26 N ATOM 490 CA PRO A 108 -3.888 2.819 70.035 1.00 16.85 C ATOM 491 C PRO A 108 -2.642 3.307 70.776 1.00 16.69 C ATOM 492 O PRO A 108 -2.539 3.134 71.991 1.00 17.52 O ATOM 493 CB PRO A 108 -3.961 1.292 69.938 1.00 17.07 C ATOM 494 CG PRO A 108 -3.354 1.015 68.594 1.00 17.10 C ATOM 495 CD PRO A 108 -3.953 2.094 67.714 1.00 16.92 C ATOM 0 HA PRO A 108 -4.569 3.230 70.590 1.00 16.85 H new ATOM 0 HB2 PRO A 108 -3.465 0.862 70.652 1.00 17.07 H new ATOM 0 HB3 PRO A 108 -4.875 0.971 69.993 1.00 17.07 H new ATOM 0 HG2 PRO A 108 -2.386 1.070 68.620 1.00 17.10 H new ATOM 0 HG3 PRO A 108 -3.579 0.127 68.275 1.00 17.10 H new ATOM 0 HD2 PRO A 108 -3.386 2.296 66.954 1.00 16.92 H new ATOM 0 HD3 PRO A 108 -4.818 1.833 67.361 1.00 16.92 H new ATOM 496 N VAL A 109 -1.706 3.914 70.058 1.00 15.78 N ATOM 497 CA VAL A 109 -0.496 4.415 70.686 1.00 17.75 C ATOM 498 C VAL A 109 -0.845 5.613 71.570 1.00 19.53 C ATOM 499 O VAL A 109 -1.443 6.585 71.120 1.00 18.96 O ATOM 500 CB VAL A 109 0.571 4.785 69.639 1.00 17.56 C ATOM 501 CG1 VAL A 109 1.789 5.395 70.319 1.00 17.80 C ATOM 502 CG2 VAL A 109 0.966 3.546 68.856 1.00 17.07 C ATOM 0 H VAL A 109 -1.753 4.045 69.209 1.00 15.78 H new ATOM 0 HA VAL A 109 -0.115 3.714 71.238 1.00 17.75 H new ATOM 0 HB VAL A 109 0.203 5.442 69.027 1.00 17.56 H new ATOM 0 HG11 VAL A 109 2.453 5.623 69.650 1.00 17.80 H new ATOM 0 HG12 VAL A 109 1.525 6.196 70.798 1.00 17.80 H new ATOM 0 HG13 VAL A 109 2.166 4.755 70.943 1.00 17.80 H new ATOM 0 HG21 VAL A 109 1.638 3.780 68.197 1.00 17.07 H new ATOM 0 HG22 VAL A 109 1.327 2.881 69.463 1.00 17.07 H new ATOM 0 HG23 VAL A 109 0.186 3.184 68.407 1.00 17.07 H new ATOM 503 N GLU A 110 -0.468 5.517 72.837 1.00 21.50 N ATOM 504 CA GLU A 110 -0.753 6.546 73.830 1.00 23.95 C ATOM 505 C GLU A 110 -0.557 8.023 73.440 1.00 23.74 C ATOM 506 O GLU A 110 -1.458 8.843 73.640 1.00 23.39 O ATOM 507 CB GLU A 110 0.027 6.235 75.115 1.00 26.68 C ATOM 508 CG GLU A 110 -0.281 7.170 76.275 1.00 28.54 C ATOM 509 CD GLU A 110 -1.755 7.220 76.599 1.00 29.65 C ATOM 510 OE1 GLU A 110 -2.380 6.142 76.706 1.00 31.71 O ATOM 511 OE2 GLU A 110 -2.290 8.340 76.731 1.00 30.97 O ATOM 0 H GLU A 110 -0.034 4.844 73.150 1.00 21.50 H new ATOM 0 HA GLU A 110 -1.715 6.487 73.942 1.00 23.95 H new ATOM 0 HB2 GLU A 110 -0.167 5.324 75.387 1.00 26.68 H new ATOM 0 HB3 GLU A 110 0.977 6.277 74.923 1.00 26.68 H new ATOM 0 HG2 GLU A 110 0.210 6.880 77.060 1.00 28.54 H new ATOM 0 HG3 GLU A 110 0.030 8.063 76.059 1.00 28.54 H new ATOM 512 N SER A 111 0.612 8.360 72.902 1.00 23.75 N ATOM 513 CA SER A 111 0.914 9.742 72.523 1.00 24.15 C ATOM 514 C SER A 111 0.224 10.228 71.244 1.00 23.75 C ATOM 515 O SER A 111 0.224 11.420 70.947 1.00 24.06 O ATOM 516 CB SER A 111 2.428 9.914 72.385 1.00 25.08 C ATOM 517 OG SER A 111 2.947 9.008 71.425 1.00 27.89 O ATOM 0 H SER A 111 1.248 7.802 72.747 1.00 23.75 H new ATOM 0 HA SER A 111 0.557 10.293 73.237 1.00 24.15 H new ATOM 0 HB2 SER A 111 2.633 10.825 72.121 1.00 25.08 H new ATOM 0 HB3 SER A 111 2.855 9.764 73.243 1.00 25.08 H new ATOM 0 HG SER A 111 2.890 9.348 70.659 1.00 27.89 H new ATOM 518 N CYS A 112 -0.412 9.311 70.523 1.00 23.25 N ATOM 519 CA CYS A 112 -1.065 9.640 69.263 1.00 21.77 C ATOM 520 C CYS A 112 -2.586 9.762 69.317 1.00 22.11 C ATOM 521 O CYS A 112 -3.270 8.892 69.849 1.00 21.79 O ATOM 522 CB CYS A 112 -0.669 8.599 68.221 1.00 21.02 C ATOM 523 SG CYS A 112 -1.267 8.962 66.563 1.00 18.26 S ATOM 0 H CYS A 112 -0.477 8.484 70.750 1.00 23.25 H new ATOM 0 HA CYS A 112 -0.756 10.529 69.030 1.00 21.77 H new ATOM 0 HB2 CYS A 112 0.298 8.529 68.198 1.00 21.02 H new ATOM 0 HB3 CYS A 112 -1.010 7.733 68.496 1.00 21.02 H new ATOM 524 N ASP A 113 -3.121 10.816 68.704 1.00 21.95 N ATOM 525 CA ASP A 113 -4.568 11.025 68.699 1.00 22.29 C ATOM 526 C ASP A 113 -5.235 10.937 67.325 1.00 21.56 C ATOM 527 O ASP A 113 -6.348 11.430 67.149 1.00 20.87 O ATOM 528 CB ASP A 113 -4.931 12.351 69.385 1.00 23.33 C ATOM 529 CG ASP A 113 -4.575 12.360 70.871 1.00 24.97 C ATOM 530 OD1 ASP A 113 -4.859 11.353 71.563 1.00 26.57 O ATOM 531 OD2 ASP A 113 -3.999 13.365 71.347 1.00 25.27 O ATOM 0 H ASP A 113 -2.668 11.417 68.288 1.00 21.95 H new ATOM 0 HA ASP A 113 -4.926 10.278 69.204 1.00 22.29 H new ATOM 0 HB2 ASP A 113 -4.468 13.079 68.941 1.00 23.33 H new ATOM 0 HB3 ASP A 113 -5.882 12.515 69.283 1.00 23.33 H new ATOM 532 N ARG A 114 -4.582 10.279 66.367 1.00 20.92 N ATOM 533 CA ARG A 114 -5.161 10.126 65.025 1.00 21.31 C ATOM 534 C ARG A 114 -6.297 9.101 65.028 1.00 19.21 C ATOM 535 O ARG A 114 -6.229 8.084 65.730 1.00 18.05 O ATOM 536 CB ARG A 114 -4.105 9.671 64.004 1.00 23.79 C ATOM 537 CG ARG A 114 -2.895 10.575 63.876 1.00 28.70 C ATOM 538 CD ARG A 114 -3.267 11.946 63.357 1.00 32.82 C ATOM 539 NE ARG A 114 -3.691 11.916 61.961 1.00 37.21 N ATOM 540 CZ ARG A 114 -3.796 12.994 61.183 1.00 39.42 C ATOM 541 NH1 ARG A 114 -3.503 14.200 61.662 1.00 40.01 N ATOM 542 NH2 ARG A 114 -4.209 12.868 59.926 1.00 40.01 N ATOM 0 H ARG A 114 -3.809 9.916 66.469 1.00 20.92 H new ATOM 0 HA ARG A 114 -5.503 10.997 64.771 1.00 21.31 H new ATOM 0 HB2 ARG A 114 -3.802 8.783 64.249 1.00 23.79 H new ATOM 0 HB3 ARG A 114 -4.528 9.597 63.134 1.00 23.79 H new ATOM 0 HG2 ARG A 114 -2.465 10.663 64.741 1.00 28.70 H new ATOM 0 HG3 ARG A 114 -2.249 10.167 63.278 1.00 28.70 H new ATOM 0 HD2 ARG A 114 -3.981 12.312 63.902 1.00 32.82 H new ATOM 0 HD3 ARG A 114 -2.507 12.541 63.449 1.00 32.82 H new ATOM 0 HE ARG A 114 -3.886 11.152 61.617 1.00 37.21 H new ATOM 0 HH11 ARG A 114 -3.244 14.288 62.477 1.00 40.01 H new ATOM 0 HH12 ARG A 114 -3.572 14.892 61.156 1.00 40.01 H new ATOM 0 HH21 ARG A 114 -4.408 12.092 59.615 1.00 40.01 H new ATOM 0 HH22 ARG A 114 -4.277 13.563 59.424 1.00 40.01 H new ATOM 543 N ARG A 115 -7.338 9.392 64.251 1.00 17.85 N ATOM 544 CA ARG A 115 -8.503 8.514 64.100 1.00 16.96 C ATOM 545 C ARG A 115 -8.766 8.327 62.608 1.00 15.89 C ATOM 546 O ARG A 115 -8.618 9.266 61.823 1.00 14.84 O ATOM 547 CB ARG A 115 -9.746 9.109 64.763 1.00 17.44 C ATOM 548 CG ARG A 115 -9.627 9.337 66.258 1.00 19.48 C ATOM 549 CD ARG A 115 -10.988 9.699 66.850 1.00 20.17 C ATOM 550 NE ARG A 115 -11.906 8.562 66.793 1.00 21.97 N ATOM 551 CZ ARG A 115 -12.098 7.703 67.791 1.00 22.77 C ATOM 552 NH1 ARG A 115 -11.452 7.856 68.936 1.00 23.79 N ATOM 553 NH2 ARG A 115 -12.875 6.645 67.617 1.00 22.66 N ATOM 0 H ARG A 115 -7.390 10.115 63.789 1.00 17.85 H new ATOM 0 HA ARG A 115 -8.316 7.666 64.532 1.00 16.96 H new ATOM 0 HB2 ARG A 115 -9.950 9.955 64.335 1.00 17.44 H new ATOM 0 HB3 ARG A 115 -10.498 8.519 64.598 1.00 17.44 H new ATOM 0 HG2 ARG A 115 -9.283 8.538 66.687 1.00 19.48 H new ATOM 0 HG3 ARG A 115 -8.992 10.049 66.433 1.00 19.48 H new ATOM 0 HD2 ARG A 115 -10.878 9.984 67.771 1.00 20.17 H new ATOM 0 HD3 ARG A 115 -11.366 10.449 66.364 1.00 20.17 H new ATOM 0 HE ARG A 115 -12.351 8.441 66.067 1.00 21.97 H new ATOM 0 HH11 ARG A 115 -10.906 8.512 69.037 1.00 23.79 H new ATOM 0 HH12 ARG A 115 -11.579 7.299 69.579 1.00 23.79 H new ATOM 0 HH21 ARG A 115 -13.257 6.512 66.858 1.00 22.66 H new ATOM 0 HH22 ARG A 115 -12.998 6.091 68.263 1.00 22.66 H new ATOM 554 N PHE A 116 -9.180 7.121 62.231 1.00 15.76 N ATOM 555 CA PHE A 116 -9.434 6.785 60.835 1.00 15.71 C ATOM 556 C PHE A 116 -10.833 6.233 60.541 1.00 15.85 C ATOM 557 O PHE A 116 -11.444 5.543 61.369 1.00 15.82 O ATOM 558 CB PHE A 116 -8.384 5.778 60.337 1.00 13.19 C ATOM 559 CG PHE A 116 -6.984 6.323 60.307 1.00 13.48 C ATOM 560 CD1 PHE A 116 -6.170 6.258 61.444 1.00 13.50 C ATOM 561 CD2 PHE A 116 -6.472 6.915 59.144 1.00 12.68 C ATOM 562 CE1 PHE A 116 -4.868 6.774 61.426 1.00 11.47 C ATOM 563 CE2 PHE A 116 -5.173 7.433 59.116 1.00 11.52 C ATOM 564 CZ PHE A 116 -4.371 7.362 60.262 1.00 11.57 C ATOM 0 H PHE A 116 -9.322 6.474 62.779 1.00 15.76 H new ATOM 0 HA PHE A 116 -9.374 7.629 60.360 1.00 15.71 H new ATOM 0 HB2 PHE A 116 -8.404 4.994 60.908 1.00 13.19 H new ATOM 0 HB3 PHE A 116 -8.627 5.485 59.445 1.00 13.19 H new ATOM 0 HD1 PHE A 116 -6.498 5.867 62.221 1.00 13.50 H new ATOM 0 HD2 PHE A 116 -7.003 6.964 58.382 1.00 12.68 H new ATOM 0 HE1 PHE A 116 -4.336 6.725 62.187 1.00 11.47 H new ATOM 0 HE2 PHE A 116 -4.843 7.823 58.339 1.00 11.52 H new ATOM 0 HZ PHE A 116 -3.507 7.707 60.247 1.00 11.57 H new ATOM 565 N SER A 117 -11.314 6.541 59.339 1.00 15.51 N ATOM 566 CA SER A 117 -12.607 6.074 58.854 1.00 15.62 C ATOM 567 C SER A 117 -12.522 4.585 58.509 1.00 16.10 C ATOM 568 O SER A 117 -13.487 3.841 58.687 1.00 17.11 O ATOM 569 CB SER A 117 -12.989 6.838 57.581 1.00 15.52 C ATOM 570 OG SER A 117 -13.187 8.209 57.849 1.00 18.19 O ATOM 0 H SER A 117 -10.891 7.034 58.775 1.00 15.51 H new ATOM 0 HA SER A 117 -13.271 6.221 59.546 1.00 15.62 H new ATOM 0 HB2 SER A 117 -12.291 6.733 56.916 1.00 15.52 H new ATOM 0 HB3 SER A 117 -13.799 6.459 57.204 1.00 15.52 H new ATOM 0 HG SER A 117 -12.745 8.668 57.302 1.00 18.19 H new ATOM 571 N ARG A 118 -11.366 4.167 57.990 1.00 15.53 N ATOM 572 CA ARG A 118 -11.133 2.784 57.578 1.00 14.37 C ATOM 573 C ARG A 118 -9.982 2.165 58.355 1.00 14.04 C ATOM 574 O ARG A 118 -8.930 2.790 58.515 1.00 13.74 O ATOM 575 CB ARG A 118 -10.820 2.746 56.079 1.00 14.49 C ATOM 576 CG ARG A 118 -12.004 3.117 55.197 1.00 16.03 C ATOM 577 CD ARG A 118 -11.577 3.330 53.760 1.00 16.59 C ATOM 578 NE ARG A 118 -10.652 4.454 53.662 1.00 17.40 N ATOM 579 CZ ARG A 118 -11.032 5.720 53.536 1.00 16.40 C ATOM 580 NH1 ARG A 118 -12.316 6.023 53.471 1.00 16.36 N ATOM 581 NH2 ARG A 118 -10.133 6.688 53.550 1.00 17.57 N ATOM 0 H ARG A 118 -10.690 4.684 57.867 1.00 15.53 H new ATOM 0 HA ARG A 118 -11.934 2.270 57.764 1.00 14.37 H new ATOM 0 HB2 ARG A 118 -10.087 3.353 55.894 1.00 14.49 H new ATOM 0 HB3 ARG A 118 -10.517 1.855 55.842 1.00 14.49 H new ATOM 0 HG2 ARG A 118 -12.672 2.415 55.237 1.00 16.03 H new ATOM 0 HG3 ARG A 118 -12.421 3.925 55.535 1.00 16.03 H new ATOM 0 HD2 ARG A 118 -11.154 2.526 53.420 1.00 16.59 H new ATOM 0 HD3 ARG A 118 -12.356 3.496 53.207 1.00 16.59 H new ATOM 0 HE ARG A 118 -9.809 4.286 53.687 1.00 17.40 H new ATOM 0 HH11 ARG A 118 -12.907 5.400 53.510 1.00 16.36 H new ATOM 0 HH12 ARG A 118 -12.561 6.843 53.389 1.00 16.36 H new ATOM 0 HH21 ARG A 118 -9.299 6.499 53.641 1.00 17.57 H new ATOM 0 HH22 ARG A 118 -10.382 7.507 53.468 1.00 17.57 H new ATOM 582 N SER A 119 -10.169 0.929 58.814 1.00 13.06 N ATOM 583 CA SER A 119 -9.130 0.247 59.577 1.00 12.86 C ATOM 584 C SER A 119 -7.850 -0.013 58.784 1.00 12.12 C ATOM 585 O SER A 119 -6.760 -0.013 59.354 1.00 11.39 O ATOM 586 CB SER A 119 -9.662 -1.057 60.174 1.00 14.30 C ATOM 587 OG SER A 119 -10.408 -1.772 59.215 1.00 17.91 O ATOM 0 H SER A 119 -10.887 0.471 58.695 1.00 13.06 H new ATOM 0 HA SER A 119 -8.886 0.856 60.292 1.00 12.86 H new ATOM 0 HB2 SER A 119 -8.922 -1.601 60.487 1.00 14.30 H new ATOM 0 HB3 SER A 119 -10.218 -0.863 60.945 1.00 14.30 H new ATOM 0 HG SER A 119 -11.005 -2.220 59.601 1.00 17.91 H new ATOM 588 N ALA A 120 -7.977 -0.232 57.476 1.00 11.71 N ATOM 589 CA ALA A 120 -6.801 -0.473 56.641 1.00 11.92 C ATOM 590 C ALA A 120 -5.868 0.744 56.660 1.00 11.61 C ATOM 591 O ALA A 120 -4.648 0.602 56.576 1.00 10.38 O ATOM 592 CB ALA A 120 -7.220 -0.818 55.205 1.00 12.72 C ATOM 0 H ALA A 120 -8.727 -0.245 57.056 1.00 11.71 H new ATOM 0 HA ALA A 120 -6.317 -1.231 57.005 1.00 11.92 H new ATOM 0 HB1 ALA A 120 -6.429 -0.975 54.666 1.00 12.72 H new ATOM 0 HB2 ALA A 120 -7.770 -1.617 55.211 1.00 12.72 H new ATOM 0 HB3 ALA A 120 -7.726 -0.081 54.829 1.00 12.72 H new ATOM 593 N ASP A 121 -6.446 1.936 56.799 1.00 11.26 N ATOM 594 CA ASP A 121 -5.649 3.158 56.845 1.00 11.26 C ATOM 595 C ASP A 121 -4.931 3.263 58.190 1.00 10.94 C ATOM 596 O ASP A 121 -3.826 3.791 58.266 1.00 10.17 O ATOM 597 CB ASP A 121 -6.515 4.387 56.572 1.00 11.51 C ATOM 598 CG ASP A 121 -7.041 4.430 55.137 1.00 13.05 C ATOM 599 OD1 ASP A 121 -6.696 3.545 54.321 1.00 12.87 O ATOM 600 OD2 ASP A 121 -7.800 5.369 54.821 1.00 13.57 O ATOM 0 H ASP A 121 -7.295 2.058 56.868 1.00 11.26 H new ATOM 0 HA ASP A 121 -4.978 3.121 56.146 1.00 11.26 H new ATOM 0 HB2 ASP A 121 -7.265 4.393 57.188 1.00 11.51 H new ATOM 0 HB3 ASP A 121 -5.997 5.188 56.747 1.00 11.51 H new ATOM 601 N LEU A 122 -5.561 2.754 59.249 1.00 11.07 N ATOM 602 CA LEU A 122 -4.934 2.753 60.567 1.00 10.24 C ATOM 603 C LEU A 122 -3.770 1.759 60.536 1.00 10.59 C ATOM 604 O LEU A 122 -2.720 2.002 61.130 1.00 11.91 O ATOM 605 CB LEU A 122 -5.942 2.373 61.658 1.00 10.98 C ATOM 606 CG LEU A 122 -5.310 2.142 63.035 1.00 10.58 C ATOM 607 CD1 LEU A 122 -4.596 3.395 63.497 1.00 10.32 C ATOM 608 CD2 LEU A 122 -6.384 1.735 64.024 1.00 11.66 C ATOM 0 H LEU A 122 -6.347 2.407 59.224 1.00 11.07 H new ATOM 0 HA LEU A 122 -4.610 3.643 60.777 1.00 10.24 H new ATOM 0 HB2 LEU A 122 -6.607 3.076 61.731 1.00 10.98 H new ATOM 0 HB3 LEU A 122 -6.410 1.567 61.387 1.00 10.98 H new ATOM 0 HG LEU A 122 -4.656 1.428 62.975 1.00 10.58 H new ATOM 0 HD11 LEU A 122 -4.200 3.239 64.369 1.00 10.32 H new ATOM 0 HD12 LEU A 122 -3.900 3.624 62.862 1.00 10.32 H new ATOM 0 HD13 LEU A 122 -5.231 4.126 63.557 1.00 10.32 H new ATOM 0 HD21 LEU A 122 -5.983 1.589 64.895 1.00 11.66 H new ATOM 0 HD22 LEU A 122 -7.049 2.439 64.088 1.00 11.66 H new ATOM 0 HD23 LEU A 122 -6.808 0.917 63.723 1.00 11.66 H new ATOM 609 N THR A 123 -3.952 0.646 59.829 1.00 9.85 N ATOM 610 CA THR A 123 -2.897 -0.356 59.697 1.00 10.68 C ATOM 611 C THR A 123 -1.659 0.242 59.006 1.00 10.64 C ATOM 612 O THR A 123 -0.518 -0.056 59.383 1.00 11.12 O ATOM 613 CB THR A 123 -3.406 -1.587 58.920 1.00 10.74 C ATOM 614 OG1 THR A 123 -4.445 -2.216 59.679 1.00 10.17 O ATOM 615 CG2 THR A 123 -2.276 -2.594 58.671 1.00 11.05 C ATOM 0 H THR A 123 -4.681 0.452 59.417 1.00 9.85 H new ATOM 0 HA THR A 123 -2.641 -0.641 60.588 1.00 10.68 H new ATOM 0 HB THR A 123 -3.743 -1.293 58.059 1.00 10.74 H new ATOM 0 HG1 THR A 123 -5.166 -1.801 59.565 1.00 10.17 H new ATOM 0 HG21 THR A 123 -2.623 -3.356 58.182 1.00 11.05 H new ATOM 0 HG22 THR A 123 -1.574 -2.171 58.153 1.00 11.05 H new ATOM 0 HG23 THR A 123 -1.915 -2.893 59.521 1.00 11.05 H new ATOM 616 N ARG A 124 -1.885 1.085 57.998 1.00 9.39 N ATOM 617 CA ARG A 124 -0.768 1.722 57.300 1.00 9.20 C ATOM 618 C ARG A 124 -0.108 2.723 58.241 1.00 9.35 C ATOM 619 O ARG A 124 1.124 2.772 58.355 1.00 10.06 O ATOM 620 CB ARG A 124 -1.242 2.442 56.034 1.00 8.16 C ATOM 621 CG ARG A 124 -0.098 3.085 55.276 1.00 8.94 C ATOM 622 CD ARG A 124 -0.550 3.814 54.021 1.00 9.36 C ATOM 623 NE ARG A 124 -1.495 4.882 54.314 1.00 8.65 N ATOM 624 CZ ARG A 124 -2.047 5.667 53.397 1.00 9.57 C ATOM 625 NH1 ARG A 124 -1.739 5.528 52.106 1.00 8.72 N ATOM 626 NH2 ARG A 124 -2.965 6.542 53.763 1.00 9.39 N ATOM 0 H ARG A 124 -2.665 1.299 57.706 1.00 9.39 H new ATOM 0 HA ARG A 124 -0.134 1.037 57.035 1.00 9.20 H new ATOM 0 HB2 ARG A 124 -1.696 1.809 55.455 1.00 8.16 H new ATOM 0 HB3 ARG A 124 -1.891 3.122 56.275 1.00 8.16 H new ATOM 0 HG2 ARG A 124 0.359 3.710 55.860 1.00 8.94 H new ATOM 0 HG3 ARG A 124 0.546 2.402 55.033 1.00 8.94 H new ATOM 0 HD2 ARG A 124 0.224 4.184 53.568 1.00 9.36 H new ATOM 0 HD3 ARG A 124 -0.959 3.181 53.411 1.00 9.36 H new ATOM 0 HE ARG A 124 -1.710 5.013 55.136 1.00 8.65 H new ATOM 0 HH11 ARG A 124 -1.177 4.925 51.860 1.00 8.72 H new ATOM 0 HH12 ARG A 124 -2.102 6.042 51.520 1.00 8.72 H new ATOM 0 HH21 ARG A 124 -3.200 6.599 54.588 1.00 9.39 H new ATOM 0 HH22 ARG A 124 -3.328 7.055 53.176 1.00 9.39 H new ATOM 627 N HIS A 125 -0.944 3.501 58.928 1.00 9.73 N ATOM 628 CA HIS A 125 -0.498 4.517 59.881 1.00 10.14 C ATOM 629 C HIS A 125 0.398 3.976 60.991 1.00 10.26 C ATOM 630 O HIS A 125 1.399 4.603 61.316 1.00 10.60 O ATOM 631 CB HIS A 125 -1.712 5.212 60.512 1.00 11.54 C ATOM 632 CG HIS A 125 -1.386 6.034 61.725 1.00 12.44 C ATOM 633 ND1 HIS A 125 -0.910 7.327 61.647 1.00 12.84 N ATOM 634 CD2 HIS A 125 -1.458 5.740 63.046 1.00 12.76 C ATOM 635 CE1 HIS A 125 -0.699 7.792 62.867 1.00 12.93 C ATOM 636 NE2 HIS A 125 -1.025 6.849 63.733 1.00 13.76 N ATOM 0 H HIS A 125 -1.799 3.452 58.852 1.00 9.73 H new ATOM 0 HA HIS A 125 0.037 5.144 59.369 1.00 10.14 H new ATOM 0 HB2 HIS A 125 -2.127 5.784 59.847 1.00 11.54 H new ATOM 0 HB3 HIS A 125 -2.367 4.539 60.756 1.00 11.54 H new ATOM 0 HD1 HIS A 125 -0.772 7.763 60.918 1.00 12.84 H new ATOM 0 HD2 HIS A 125 -1.746 4.938 63.418 1.00 12.76 H new ATOM 0 HE1 HIS A 125 -0.376 8.638 63.079 1.00 12.93 H new ATOM 637 N ILE A 126 0.039 2.815 61.554 1.00 11.48 N ATOM 638 CA ILE A 126 0.795 2.198 62.662 1.00 11.24 C ATOM 639 C ILE A 126 2.274 1.960 62.358 1.00 11.61 C ATOM 640 O ILE A 126 3.089 1.874 63.275 1.00 12.24 O ATOM 641 CB ILE A 126 0.114 0.881 63.172 0.50 9.31 C ATOM 642 CG1 ILE A 126 0.575 0.566 64.595 0.50 8.96 C ATOM 643 CG2 ILE A 126 0.447 -0.292 62.278 0.50 8.51 C ATOM 644 CD1 ILE A 126 0.105 1.560 65.608 0.50 7.04 C ATOM 0 H ILE A 126 -0.648 2.362 61.306 1.00 11.48 H new ATOM 0 HA ILE A 126 0.771 2.857 63.374 1.00 11.24 H new ATOM 0 HB ILE A 126 -0.845 1.023 63.158 0.50 9.31 H new ATOM 0 HG12 ILE A 126 0.254 -0.315 64.844 0.50 8.96 H new ATOM 0 HG13 ILE A 126 1.544 0.530 64.613 0.50 8.96 H new ATOM 0 HG21 ILE A 126 0.013 -1.091 62.617 0.50 8.51 H new ATOM 0 HG22 ILE A 126 0.134 -0.112 61.378 0.50 8.51 H new ATOM 0 HG23 ILE A 126 1.407 -0.427 62.265 0.50 8.51 H new ATOM 0 HD11 ILE A 126 0.429 1.305 66.486 0.50 7.04 H new ATOM 0 HD12 ILE A 126 0.445 2.439 65.381 0.50 7.04 H new ATOM 0 HD13 ILE A 126 -0.865 1.581 65.615 0.50 7.04 H new ATOM 645 N ARG A 127 2.627 1.906 61.074 1.00 12.53 N ATOM 646 CA ARG A 127 4.020 1.704 60.665 1.00 12.99 C ATOM 647 C ARG A 127 4.917 2.821 61.206 1.00 13.65 C ATOM 648 O ARG A 127 6.118 2.620 61.409 1.00 14.03 O ATOM 649 CB ARG A 127 4.152 1.648 59.133 1.00 13.65 C ATOM 650 CG ARG A 127 3.444 0.478 58.464 1.00 12.91 C ATOM 651 CD ARG A 127 3.778 0.392 56.979 1.00 11.47 C ATOM 652 NE ARG A 127 2.883 -0.556 56.325 1.00 12.42 N ATOM 653 CZ ARG A 127 2.369 -0.397 55.110 1.00 11.74 C ATOM 654 NH1 ARG A 127 2.679 0.670 54.384 1.00 11.53 N ATOM 655 NH2 ARG A 127 1.441 -1.238 54.678 1.00 11.49 N ATOM 0 H ARG A 127 2.073 1.984 60.421 1.00 12.53 H new ATOM 0 HA ARG A 127 4.305 0.855 61.036 1.00 12.99 H new ATOM 0 HB2 ARG A 127 3.803 2.474 58.762 1.00 13.65 H new ATOM 0 HB3 ARG A 127 5.094 1.611 58.905 1.00 13.65 H new ATOM 0 HG2 ARG A 127 3.700 -0.349 58.902 1.00 12.91 H new ATOM 0 HG3 ARG A 127 2.485 0.573 58.575 1.00 12.91 H new ATOM 0 HD2 ARG A 127 3.692 1.267 56.569 1.00 11.47 H new ATOM 0 HD3 ARG A 127 4.700 0.113 56.862 1.00 11.47 H new ATOM 0 HE ARG A 127 2.673 -1.269 56.757 1.00 12.42 H new ATOM 0 HH11 ARG A 127 3.215 1.264 54.699 1.00 11.53 H new ATOM 0 HH12 ARG A 127 2.343 0.768 53.598 1.00 11.53 H new ATOM 0 HH21 ARG A 127 1.175 -1.881 55.183 1.00 11.49 H new ATOM 0 HH22 ARG A 127 1.104 -1.140 53.893 1.00 11.49 H new ATOM 656 N ILE A 128 4.325 3.995 61.424 1.00 14.07 N ATOM 657 CA ILE A 128 5.050 5.158 61.945 1.00 15.31 C ATOM 658 C ILE A 128 5.608 4.846 63.337 1.00 14.33 C ATOM 659 O ILE A 128 6.765 5.151 63.645 1.00 13.80 O ATOM 660 CB ILE A 128 4.109 6.410 62.052 1.00 15.90 C ATOM 661 CG1 ILE A 128 3.608 6.835 60.665 1.00 14.89 C ATOM 662 CG2 ILE A 128 4.839 7.575 62.715 1.00 16.58 C ATOM 663 CD1 ILE A 128 2.512 7.879 60.704 1.00 14.08 C ATOM 0 H ILE A 128 3.491 4.141 61.274 1.00 14.07 H new ATOM 0 HA ILE A 128 5.773 5.356 61.329 1.00 15.31 H new ATOM 0 HB ILE A 128 3.346 6.164 62.598 1.00 15.90 H new ATOM 0 HG12 ILE A 128 4.355 7.182 60.153 1.00 14.89 H new ATOM 0 HG13 ILE A 128 3.281 6.052 60.195 1.00 14.89 H new ATOM 0 HG21 ILE A 128 4.244 8.339 62.773 1.00 16.58 H new ATOM 0 HG22 ILE A 128 5.120 7.316 63.607 1.00 16.58 H new ATOM 0 HG23 ILE A 128 5.618 7.812 62.187 1.00 16.58 H new ATOM 0 HD11 ILE A 128 2.244 8.101 59.799 1.00 14.08 H new ATOM 0 HD12 ILE A 128 1.749 7.530 61.191 1.00 14.08 H new ATOM 0 HD13 ILE A 128 2.840 8.677 61.148 1.00 14.08 H new ATOM 664 N HIS A 129 4.771 4.208 64.151 1.00 14.48 N ATOM 665 CA HIS A 129 5.109 3.858 65.530 1.00 14.18 C ATOM 666 C HIS A 129 5.952 2.596 65.672 1.00 14.46 C ATOM 667 O HIS A 129 6.737 2.480 66.609 1.00 15.30 O ATOM 668 CB HIS A 129 3.823 3.709 66.361 1.00 13.69 C ATOM 669 CG HIS A 129 2.899 4.885 66.267 1.00 14.67 C ATOM 670 ND1 HIS A 129 3.291 6.172 66.574 1.00 16.06 N ATOM 671 CD2 HIS A 129 1.593 4.967 65.918 1.00 15.00 C ATOM 672 CE1 HIS A 129 2.267 6.993 66.423 1.00 14.18 C ATOM 673 NE2 HIS A 129 1.224 6.286 66.026 1.00 14.83 N ATOM 0 H HIS A 129 3.981 3.963 63.916 1.00 14.48 H new ATOM 0 HA HIS A 129 5.656 4.588 65.860 1.00 14.18 H new ATOM 0 HB2 HIS A 129 3.350 2.914 66.069 1.00 13.69 H new ATOM 0 HB3 HIS A 129 4.063 3.571 67.291 1.00 13.69 H new ATOM 0 HD1 HIS A 129 4.080 6.404 66.825 1.00 16.06 H new ATOM 0 HD2 HIS A 129 1.047 4.262 65.654 1.00 15.00 H new ATOM 0 HE1 HIS A 129 2.278 7.911 66.571 1.00 14.18 H new ATOM 674 N THR A 130 5.750 1.632 64.782 1.00 13.31 N ATOM 675 CA THR A 130 6.509 0.389 64.833 1.00 13.91 C ATOM 676 C THR A 130 7.847 0.529 64.118 1.00 14.49 C ATOM 677 O THR A 130 8.731 -0.304 64.284 1.00 14.63 O ATOM 678 CB THR A 130 5.727 -0.788 64.203 1.00 13.51 C ATOM 679 OG1 THR A 130 5.563 -0.560 62.798 1.00 14.29 O ATOM 680 CG2 THR A 130 4.361 -0.922 64.847 1.00 11.60 C ATOM 0 H THR A 130 5.179 1.678 64.141 1.00 13.31 H new ATOM 0 HA THR A 130 6.661 0.199 65.772 1.00 13.91 H new ATOM 0 HB THR A 130 6.228 -1.605 64.349 1.00 13.51 H new ATOM 0 HG1 THR A 130 5.019 -1.118 62.485 1.00 14.29 H new ATOM 0 HG21 THR A 130 3.883 -1.663 64.442 1.00 11.60 H new ATOM 0 HG22 THR A 130 4.466 -1.086 65.797 1.00 11.60 H new ATOM 0 HG23 THR A 130 3.859 -0.103 64.714 1.00 11.60 H new ATOM 681 N GLY A 131 7.979 1.585 63.320 1.00 15.45 N ATOM 682 CA GLY A 131 9.203 1.817 62.574 1.00 16.44 C ATOM 683 C GLY A 131 9.371 0.862 61.401 1.00 16.69 C ATOM 684 O GLY A 131 10.461 0.752 60.839 1.00 18.07 O ATOM 0 H GLY A 131 7.368 2.178 63.199 1.00 15.45 H new ATOM 0 HA2 GLY A 131 9.208 2.730 62.246 1.00 16.44 H new ATOM 0 HA3 GLY A 131 9.962 1.726 63.171 1.00 16.44 H new ATOM 685 N GLN A 132 8.296 0.188 61.011 1.00 16.43 N ATOM 686 CA GLN A 132 8.355 -0.759 59.903 1.00 16.78 C ATOM 687 C GLN A 132 8.437 -0.073 58.523 1.00 15.53 C ATOM 688 O GLN A 132 7.611 0.779 58.176 1.00 14.67 O ATOM 689 CB GLN A 132 7.157 -1.716 59.965 1.00 19.43 C ATOM 690 CG GLN A 132 7.199 -2.830 58.924 1.00 24.41 C ATOM 691 CD GLN A 132 5.917 -3.637 58.874 1.00 26.92 C ATOM 692 OE1 GLN A 132 4.951 -3.328 59.568 1.00 30.41 O ATOM 693 NE2 GLN A 132 5.904 -4.686 58.057 1.00 28.33 N ATOM 0 H GLN A 132 7.521 0.264 61.375 1.00 16.43 H new ATOM 0 HA GLN A 132 9.178 -1.263 60.004 1.00 16.78 H new ATOM 0 HB2 GLN A 132 7.117 -2.113 60.849 1.00 19.43 H new ATOM 0 HB3 GLN A 132 6.341 -1.206 59.847 1.00 19.43 H new ATOM 0 HG2 GLN A 132 7.367 -2.444 58.050 1.00 24.41 H new ATOM 0 HG3 GLN A 132 7.942 -3.422 59.120 1.00 24.41 H new ATOM 0 HE21 GLN A 132 6.599 -4.873 57.586 1.00 28.33 H new ATOM 0 HE22 GLN A 132 5.201 -5.178 58.000 1.00 28.33 H new ATOM 694 N LYS A 133 9.459 -0.452 57.757 1.00 13.96 N ATOM 695 CA LYS A 133 9.703 0.071 56.414 1.00 14.38 C ATOM 696 C LYS A 133 9.987 -1.155 55.552 1.00 13.58 C ATOM 697 O LYS A 133 11.136 -1.448 55.230 1.00 14.59 O ATOM 698 CB LYS A 133 10.915 1.006 56.433 1.00 15.35 C ATOM 699 CG LYS A 133 10.650 2.321 57.132 1.00 16.32 C ATOM 700 CD LYS A 133 11.912 3.135 57.239 1.00 19.91 C ATOM 701 CE LYS A 133 11.615 4.554 57.690 1.00 23.86 C ATOM 702 NZ LYS A 133 12.876 5.333 57.892 1.00 28.47 N ATOM 0 H LYS A 133 10.042 -1.032 58.009 1.00 13.96 H new ATOM 0 HA LYS A 133 8.951 0.582 56.075 1.00 14.38 H new ATOM 0 HB2 LYS A 133 11.654 0.557 56.873 1.00 15.35 H new ATOM 0 HB3 LYS A 133 11.193 1.183 55.521 1.00 15.35 H new ATOM 0 HG2 LYS A 133 9.978 2.822 56.644 1.00 16.32 H new ATOM 0 HG3 LYS A 133 10.292 2.154 58.018 1.00 16.32 H new ATOM 0 HD2 LYS A 133 12.519 2.714 57.867 1.00 19.91 H new ATOM 0 HD3 LYS A 133 12.361 3.154 56.380 1.00 19.91 H new ATOM 0 HE2 LYS A 133 11.061 4.997 57.029 1.00 23.86 H new ATOM 0 HE3 LYS A 133 11.108 4.534 58.517 1.00 23.86 H new ATOM 0 HZ1 LYS A 133 12.676 6.159 58.155 1.00 28.47 H new ATOM 0 HZ2 LYS A 133 13.374 4.936 58.514 1.00 28.47 H new ATOM 0 HZ3 LYS A 133 13.330 5.368 57.127 1.00 28.47 H new ATOM 703 N PRO A 134 8.929 -1.852 55.117 1.00 13.36 N ATOM 704 CA PRO A 134 8.992 -3.069 54.302 1.00 12.82 C ATOM 705 C PRO A 134 9.491 -3.011 52.869 1.00 12.99 C ATOM 706 O PRO A 134 9.708 -4.061 52.271 1.00 14.67 O ATOM 707 CB PRO A 134 7.540 -3.564 54.300 1.00 13.87 C ATOM 708 CG PRO A 134 6.840 -2.751 55.370 1.00 14.28 C ATOM 709 CD PRO A 134 7.530 -1.433 55.296 1.00 13.69 C ATOM 0 HA PRO A 134 9.673 -3.631 54.703 1.00 12.82 H new ATOM 0 HB2 PRO A 134 7.126 -3.432 53.433 1.00 13.87 H new ATOM 0 HB3 PRO A 134 7.493 -4.513 54.495 1.00 13.87 H new ATOM 0 HG2 PRO A 134 5.890 -2.669 55.194 1.00 14.28 H new ATOM 0 HG3 PRO A 134 6.933 -3.156 56.247 1.00 14.28 H new ATOM 0 HD2 PRO A 134 7.212 -0.894 54.555 1.00 13.69 H new ATOM 0 HD3 PRO A 134 7.405 -0.909 56.102 1.00 13.69 H new ATOM 710 N PHE A 135 9.669 -1.820 52.306 1.00 11.21 N ATOM 711 CA PHE A 135 10.070 -1.721 50.907 1.00 11.54 C ATOM 712 C PHE A 135 11.449 -1.132 50.707 1.00 11.75 C ATOM 713 O PHE A 135 11.665 0.051 50.930 1.00 12.74 O ATOM 714 CB PHE A 135 9.009 -0.926 50.161 1.00 11.00 C ATOM 715 CG PHE A 135 7.605 -1.365 50.494 1.00 11.51 C ATOM 716 CD1 PHE A 135 7.023 -2.439 49.833 1.00 12.08 C ATOM 717 CD2 PHE A 135 6.893 -0.742 51.511 1.00 10.00 C ATOM 718 CE1 PHE A 135 5.760 -2.881 50.188 1.00 12.13 C ATOM 719 CE2 PHE A 135 5.634 -1.176 51.868 1.00 10.02 C ATOM 720 CZ PHE A 135 5.066 -2.245 51.211 1.00 10.41 C ATOM 0 H PHE A 135 9.565 -1.068 52.709 1.00 11.21 H new ATOM 0 HA PHE A 135 10.135 -2.620 50.549 1.00 11.54 H new ATOM 0 HB2 PHE A 135 9.108 0.015 50.373 1.00 11.00 H new ATOM 0 HB3 PHE A 135 9.154 -1.018 49.206 1.00 11.00 H new ATOM 0 HD1 PHE A 135 7.485 -2.864 49.147 1.00 12.08 H new ATOM 0 HD2 PHE A 135 7.272 -0.020 51.959 1.00 10.00 H new ATOM 0 HE1 PHE A 135 5.377 -3.602 49.743 1.00 12.13 H new ATOM 0 HE2 PHE A 135 5.169 -0.748 52.551 1.00 10.02 H new ATOM 0 HZ PHE A 135 4.218 -2.541 51.452 1.00 10.41 H new ATOM 721 N GLN A 136 12.368 -1.952 50.216 1.00 11.39 N ATOM 722 CA GLN A 136 13.746 -1.519 50.021 1.00 11.08 C ATOM 723 C GLN A 136 14.136 -1.174 48.597 1.00 11.44 C ATOM 724 O GLN A 136 13.703 -1.824 47.646 1.00 12.04 O ATOM 725 CB GLN A 136 14.697 -2.600 50.528 1.00 10.78 C ATOM 726 CG GLN A 136 16.149 -2.167 50.544 1.00 12.17 C ATOM 727 CD GLN A 136 17.060 -3.235 51.091 1.00 12.90 C ATOM 728 OE1 GLN A 136 17.055 -4.366 50.616 1.00 13.76 O ATOM 729 NE2 GLN A 136 17.845 -2.887 52.099 1.00 12.16 N ATOM 0 H GLN A 136 12.214 -2.767 49.988 1.00 11.39 H new ATOM 0 HA GLN A 136 13.815 -0.692 50.524 1.00 11.08 H new ATOM 0 HB2 GLN A 136 14.434 -2.858 51.425 1.00 10.78 H new ATOM 0 HB3 GLN A 136 14.608 -3.388 49.969 1.00 10.78 H new ATOM 0 HG2 GLN A 136 16.426 -1.939 49.643 1.00 12.17 H new ATOM 0 HG3 GLN A 136 16.238 -1.363 51.080 1.00 12.17 H new ATOM 0 HE21 GLN A 136 17.821 -2.084 52.406 1.00 12.16 H new ATOM 0 HE22 GLN A 136 18.379 -3.464 52.447 1.00 12.16 H new ATOM 730 N CYS A 137 14.957 -0.138 48.463 1.00 10.15 N ATOM 731 CA CYS A 137 15.483 0.273 47.171 1.00 9.69 C ATOM 732 C CYS A 137 16.701 -0.617 46.884 1.00 9.62 C ATOM 733 O CYS A 137 17.682 -0.599 47.634 1.00 10.54 O ATOM 734 CB CYS A 137 15.931 1.733 47.220 1.00 9.82 C ATOM 735 SG CYS A 137 16.729 2.269 45.698 1.00 10.27 S ATOM 0 H CYS A 137 15.224 0.346 49.121 1.00 10.15 H new ATOM 0 HA CYS A 137 14.804 0.186 46.484 1.00 9.69 H new ATOM 0 HB2 CYS A 137 15.161 2.298 47.393 1.00 9.82 H new ATOM 0 HB3 CYS A 137 16.544 1.854 47.962 1.00 9.82 H new ATOM 736 N ARG A 138 16.661 -1.373 45.794 1.00 10.42 N ATOM 737 CA ARG A 138 17.782 -2.253 45.476 1.00 11.36 C ATOM 738 C ARG A 138 19.025 -1.499 45.007 1.00 11.75 C ATOM 739 O ARG A 138 20.110 -2.076 44.926 1.00 12.54 O ATOM 740 CB ARG A 138 17.382 -3.278 44.416 1.00 11.86 C ATOM 741 CG ARG A 138 17.274 -2.686 43.022 1.00 15.48 C ATOM 742 CD ARG A 138 17.210 -3.762 41.959 1.00 16.72 C ATOM 743 NE ARG A 138 16.017 -4.588 42.093 1.00 16.66 N ATOM 744 CZ ARG A 138 15.773 -5.673 41.369 1.00 16.88 C ATOM 745 NH1 ARG A 138 16.643 -6.076 40.454 1.00 15.44 N ATOM 746 NH2 ARG A 138 14.643 -6.347 41.552 1.00 18.19 N ATOM 0 H ARG A 138 16.009 -1.393 45.234 1.00 10.42 H new ATOM 0 HA ARG A 138 18.010 -2.703 46.304 1.00 11.36 H new ATOM 0 HB2 ARG A 138 18.034 -3.996 44.406 1.00 11.86 H new ATOM 0 HB3 ARG A 138 16.530 -3.672 44.661 1.00 11.86 H new ATOM 0 HG2 ARG A 138 16.481 -2.129 42.967 1.00 15.48 H new ATOM 0 HG3 ARG A 138 18.037 -2.111 42.855 1.00 15.48 H new ATOM 0 HD2 ARG A 138 17.221 -3.350 41.081 1.00 16.72 H new ATOM 0 HD3 ARG A 138 17.999 -4.323 42.019 1.00 16.72 H new ATOM 0 HE ARG A 138 15.432 -4.357 42.680 1.00 16.66 H new ATOM 0 HH11 ARG A 138 17.370 -5.634 40.327 1.00 15.44 H new ATOM 0 HH12 ARG A 138 16.481 -6.780 39.987 1.00 15.44 H new ATOM 0 HH21 ARG A 138 14.073 -6.080 42.138 1.00 18.19 H new ATOM 0 HH22 ARG A 138 14.481 -7.051 41.085 1.00 18.19 H new ATOM 747 N ILE A 139 18.875 -0.215 44.693 1.00 11.21 N ATOM 748 CA ILE A 139 20.013 0.566 44.223 1.00 10.16 C ATOM 749 C ILE A 139 20.863 1.130 45.372 1.00 11.53 C ATOM 750 O ILE A 139 22.089 0.984 45.367 1.00 12.54 O ATOM 751 CB AILE A 139 19.551 1.732 43.318 0.50 8.65 C ATOM 752 CB BILE A 139 19.579 1.715 43.275 0.50 11.06 C ATOM 753 CG1AILE A 139 18.587 1.226 42.236 0.50 7.78 C ATOM 754 CG1BILE A 139 18.887 1.155 42.027 0.50 12.00 C ATOM 755 CG2AILE A 139 20.750 2.418 42.681 0.50 8.71 C ATOM 756 CG2BILE A 139 20.783 2.539 42.848 0.50 10.82 C ATOM 757 CD1AILE A 139 19.154 0.165 41.332 0.50 4.15 C ATOM 758 CD1BILE A 139 17.409 0.918 42.194 0.50 15.06 C ATOM 0 H ILE A 139 18.133 0.217 44.744 1.00 11.21 H new ATOM 0 HA ILE A 139 20.565 -0.048 43.714 1.00 10.16 H new ATOM 0 HB AILE A 139 19.082 2.379 43.868 0.50 11.06 H new ATOM 0 HB BILE A 139 18.957 2.280 43.760 0.50 11.06 H new ATOM 0 HG12AILE A 139 17.792 0.875 42.667 0.50 12.00 H new ATOM 0 HG12BILE A 139 19.024 1.770 41.290 0.50 12.00 H new ATOM 0 HG13AILE A 139 18.306 1.979 41.693 0.50 12.00 H new ATOM 0 HG13BILE A 139 19.313 0.319 41.781 0.50 12.00 H new ATOM 0 HG21AILE A 139 20.445 3.146 42.117 0.50 10.82 H new ATOM 0 HG21BILE A 139 20.494 3.252 42.257 0.50 10.82 H new ATOM 0 HG22AILE A 139 21.329 2.769 43.376 0.50 10.82 H new ATOM 0 HG22BILE A 139 21.208 2.922 43.632 0.50 10.82 H new ATOM 0 HG23AILE A 139 21.242 1.778 42.143 0.50 10.82 H new ATOM 0 HG23BILE A 139 21.416 1.970 42.383 0.50 10.82 H new ATOM 0 HD11AILE A 139 18.484 -0.098 40.681 0.50 15.06 H new ATOM 0 HD11BILE A 139 17.042 0.566 41.368 0.50 15.06 H new ATOM 0 HD12AILE A 139 19.933 0.515 40.871 0.50 15.06 H new ATOM 0 HD12BILE A 139 17.262 0.281 42.910 0.50 15.06 H new ATOM 0 HD13AILE A 139 19.411 -0.607 41.860 0.50 15.06 H new ATOM 0 HD13BILE A 139 16.969 1.755 42.411 0.50 15.06 H new ATOM 759 N CYS A 140 20.228 1.769 46.353 1.00 11.73 N ATOM 760 CA CYS A 140 20.965 2.349 47.477 1.00 11.58 C ATOM 761 C CYS A 140 20.704 1.650 48.818 1.00 12.80 C ATOM 762 O CYS A 140 21.320 2.000 49.836 1.00 13.69 O ATOM 763 CB CYS A 140 20.662 3.841 47.599 1.00 11.34 C ATOM 764 SG CYS A 140 19.004 4.184 48.252 1.00 10.95 S ATOM 0 H CYS A 140 19.376 1.878 46.388 1.00 11.73 H new ATOM 0 HA CYS A 140 21.904 2.214 47.277 1.00 11.58 H new ATOM 0 HB2 CYS A 140 21.323 4.253 48.178 1.00 11.34 H new ATOM 0 HB3 CYS A 140 20.752 4.255 46.727 1.00 11.34 H new ATOM 765 N MET A 141 19.815 0.656 48.800 1.00 13.23 N ATOM 766 CA MET A 141 19.441 -0.152 49.966 1.00 14.92 C ATOM 767 C MET A 141 18.603 0.552 51.049 1.00 14.11 C ATOM 768 O MET A 141 18.342 -0.023 52.112 1.00 13.19 O ATOM 769 CB MET A 141 20.666 -0.850 50.590 1.00 19.37 C ATOM 770 CG MET A 141 21.466 -1.763 49.633 1.00 25.99 C ATOM 771 SD MET A 141 22.463 -0.920 48.319 1.00 37.52 S ATOM 772 CE MET A 141 24.119 -0.906 49.044 1.00 32.88 C ATOM 0 H MET A 141 19.398 0.425 48.084 1.00 13.23 H new ATOM 0 HA MET A 141 18.839 -0.814 49.592 1.00 14.92 H new ATOM 0 HB2 MET A 141 21.263 -0.170 50.940 1.00 19.37 H new ATOM 0 HB3 MET A 141 20.367 -1.381 51.345 1.00 19.37 H new ATOM 0 HG2 MET A 141 22.066 -2.308 50.166 1.00 25.99 H new ATOM 0 HG3 MET A 141 20.843 -2.367 49.200 1.00 25.99 H new ATOM 0 HE1 MET A 141 24.737 -0.479 48.431 1.00 32.88 H new ATOM 0 HE2 MET A 141 24.102 -0.414 49.880 1.00 32.88 H new ATOM 0 HE3 MET A 141 24.407 -1.817 49.211 1.00 32.88 H new ATOM 773 N ARG A 142 18.167 1.783 50.783 1.00 12.41 N ATOM 774 CA ARG A 142 17.347 2.511 51.752 1.00 11.14 C ATOM 775 C ARG A 142 15.976 1.841 51.842 1.00 11.41 C ATOM 776 O ARG A 142 15.486 1.293 50.856 1.00 12.34 O ATOM 777 CB ARG A 142 17.195 3.984 51.342 1.00 11.53 C ATOM 778 CG ARG A 142 16.352 4.828 52.303 1.00 10.69 C ATOM 779 CD ARG A 142 16.417 6.313 51.957 1.00 11.72 C ATOM 780 NE ARG A 142 15.649 7.108 52.914 1.00 12.51 N ATOM 781 CZ ARG A 142 15.723 8.429 53.052 1.00 12.00 C ATOM 782 NH1 ARG A 142 16.535 9.154 52.294 1.00 11.27 N ATOM 783 NH2 ARG A 142 14.984 9.023 53.974 1.00 13.64 N ATOM 0 H ARG A 142 18.332 2.211 50.056 1.00 12.41 H new ATOM 0 HA ARG A 142 17.781 2.488 52.619 1.00 11.14 H new ATOM 0 HB2 ARG A 142 18.077 4.381 51.270 1.00 11.53 H new ATOM 0 HB3 ARG A 142 16.794 4.022 50.459 1.00 11.53 H new ATOM 0 HG2 ARG A 142 15.430 4.529 52.273 1.00 10.69 H new ATOM 0 HG3 ARG A 142 16.664 4.693 53.211 1.00 10.69 H new ATOM 0 HD2 ARG A 142 17.341 6.608 51.954 1.00 11.72 H new ATOM 0 HD3 ARG A 142 16.071 6.455 51.062 1.00 11.72 H new ATOM 0 HE ARG A 142 15.105 6.687 53.430 1.00 12.51 H new ATOM 0 HH11 ARG A 142 17.026 8.771 51.701 1.00 11.27 H new ATOM 0 HH12 ARG A 142 16.571 10.007 52.396 1.00 11.27 H new ATOM 0 HH21 ARG A 142 14.464 8.556 54.475 1.00 13.64 H new ATOM 0 HH22 ARG A 142 15.023 9.876 54.073 1.00 13.64 H new ATOM 784 N ASN A 143 15.366 1.888 53.024 1.00 10.82 N ATOM 785 CA ASN A 143 14.051 1.284 53.253 1.00 11.06 C ATOM 786 C ASN A 143 12.967 2.354 53.384 1.00 10.61 C ATOM 787 O ASN A 143 13.216 3.446 53.903 1.00 10.65 O ATOM 788 CB ASN A 143 14.096 0.396 54.505 1.00 11.97 C ATOM 789 CG ASN A 143 15.215 -0.632 54.435 1.00 13.44 C ATOM 790 OD1 ASN A 143 15.158 -1.560 53.632 1.00 14.38 O ATOM 791 ND2 ASN A 143 16.266 -0.436 55.236 1.00 15.78 N ATOM 0 H ASN A 143 15.701 2.271 53.717 1.00 10.82 H new ATOM 0 HA ASN A 143 13.827 0.734 52.486 1.00 11.06 H new ATOM 0 HB2 ASN A 143 14.217 0.952 55.291 1.00 11.97 H new ATOM 0 HB3 ASN A 143 13.246 -0.059 54.608 1.00 11.97 H new ATOM 0 HD21 ASN A 143 16.938 -0.971 55.202 1.00 15.78 H new ATOM 0 HD22 ASN A 143 16.270 0.225 55.786 1.00 15.78 H new ATOM 792 N PHE A 144 11.767 2.024 52.913 1.00 8.49 N ATOM 793 CA PHE A 144 10.632 2.939 52.933 1.00 9.24 C ATOM 794 C PHE A 144 9.375 2.286 53.513 1.00 9.21 C ATOM 795 O PHE A 144 9.160 1.067 53.394 1.00 8.91 O ATOM 796 CB PHE A 144 10.348 3.442 51.505 1.00 10.08 C ATOM 797 CG PHE A 144 11.516 4.158 50.873 1.00 9.52 C ATOM 798 CD1 PHE A 144 12.557 3.437 50.283 1.00 9.40 C ATOM 799 CD2 PHE A 144 11.616 5.550 50.942 1.00 10.04 C ATOM 800 CE1 PHE A 144 13.686 4.101 49.780 1.00 10.55 C ATOM 801 CE2 PHE A 144 12.735 6.220 50.445 1.00 9.27 C ATOM 802 CZ PHE A 144 13.769 5.495 49.868 1.00 10.08 C ATOM 0 H PHE A 144 11.589 1.256 52.570 1.00 8.49 H new ATOM 0 HA PHE A 144 10.865 3.684 53.509 1.00 9.24 H new ATOM 0 HB2 PHE A 144 10.101 2.688 50.948 1.00 10.08 H new ATOM 0 HB3 PHE A 144 9.585 4.040 51.527 1.00 10.08 H new ATOM 0 HD1 PHE A 144 12.501 2.511 50.223 1.00 9.40 H new ATOM 0 HD2 PHE A 144 10.924 6.039 51.326 1.00 10.04 H new ATOM 0 HE1 PHE A 144 14.377 3.616 49.389 1.00 10.55 H new ATOM 0 HE2 PHE A 144 12.788 7.147 50.500 1.00 9.27 H new ATOM 0 HZ PHE A 144 14.518 5.937 49.539 1.00 10.08 H new ATOM 803 N SER A 145 8.531 3.116 54.114 1.00 9.40 N ATOM 804 CA SER A 145 7.287 2.653 54.718 1.00 9.70 C ATOM 805 C SER A 145 6.234 2.231 53.695 1.00 10.82 C ATOM 806 O SER A 145 5.389 1.382 54.001 1.00 12.28 O ATOM 807 CB SER A 145 6.691 3.750 55.607 1.00 10.40 C ATOM 808 OG SER A 145 6.384 4.918 54.855 1.00 9.80 O ATOM 0 H SER A 145 8.663 3.963 54.183 1.00 9.40 H new ATOM 0 HA SER A 145 7.520 1.869 55.240 1.00 9.70 H new ATOM 0 HB2 SER A 145 5.887 3.419 56.036 1.00 10.40 H new ATOM 0 HB3 SER A 145 7.318 3.973 56.313 1.00 10.40 H new ATOM 0 HG SER A 145 5.875 5.414 55.303 1.00 9.80 H new ATOM 809 N ARG A 146 6.279 2.815 52.494 1.00 9.15 N ATOM 810 CA ARG A 146 5.281 2.525 51.459 1.00 9.52 C ATOM 811 C ARG A 146 5.842 2.215 50.066 1.00 9.25 C ATOM 812 O ARG A 146 6.884 2.741 49.671 1.00 8.52 O ATOM 813 CB ARG A 146 4.306 3.703 51.368 1.00 9.86 C ATOM 814 CG ARG A 146 3.454 3.897 52.621 1.00 9.00 C ATOM 815 CD ARG A 146 3.013 5.337 52.802 1.00 9.22 C ATOM 816 NE ARG A 146 2.373 5.895 51.609 1.00 9.00 N ATOM 817 CZ ARG A 146 1.478 6.876 51.633 1.00 8.32 C ATOM 818 NH1 ARG A 146 1.093 7.413 52.785 1.00 7.71 N ATOM 819 NH2 ARG A 146 1.007 7.362 50.502 1.00 8.63 N ATOM 0 H ARG A 146 6.880 3.383 52.258 1.00 9.15 H new ATOM 0 HA ARG A 146 4.842 1.707 51.740 1.00 9.52 H new ATOM 0 HB2 ARG A 146 4.808 4.515 51.200 1.00 9.86 H new ATOM 0 HB3 ARG A 146 3.720 3.569 50.606 1.00 9.86 H new ATOM 0 HG2 ARG A 146 2.672 3.326 52.569 1.00 9.00 H new ATOM 0 HG3 ARG A 146 3.959 3.616 53.400 1.00 9.00 H new ATOM 0 HD2 ARG A 146 2.396 5.389 53.548 1.00 9.22 H new ATOM 0 HD3 ARG A 146 3.784 5.879 53.033 1.00 9.22 H new ATOM 0 HE ARG A 146 2.590 5.567 50.844 1.00 9.00 H new ATOM 0 HH11 ARG A 146 1.424 7.126 53.525 1.00 7.71 H new ATOM 0 HH12 ARG A 146 0.513 8.048 52.791 1.00 7.71 H new ATOM 0 HH21 ARG A 146 1.279 7.044 49.751 1.00 8.63 H new ATOM 0 HH22 ARG A 146 0.427 7.997 50.515 1.00 8.63 H new ATOM 820 N SER A 147 5.122 1.382 49.312 1.00 8.59 N ATOM 821 CA SER A 147 5.560 1.007 47.977 1.00 9.47 C ATOM 822 C SER A 147 5.456 2.167 46.994 1.00 9.32 C ATOM 823 O SER A 147 6.285 2.293 46.087 1.00 8.66 O ATOM 824 CB SER A 147 4.779 -0.205 47.450 1.00 9.56 C ATOM 825 OG SER A 147 3.409 0.097 47.295 1.00 9.84 O ATOM 0 H SER A 147 4.379 1.026 49.559 1.00 8.59 H new ATOM 0 HA SER A 147 6.496 0.762 48.052 1.00 9.47 H new ATOM 0 HB2 SER A 147 5.149 -0.486 46.598 1.00 9.56 H new ATOM 0 HB3 SER A 147 4.881 -0.950 48.063 1.00 9.56 H new ATOM 0 HG SER A 147 2.963 -0.615 47.301 1.00 9.84 H new ATOM 826 N ASP A 148 4.459 3.023 47.181 1.00 8.87 N ATOM 827 CA ASP A 148 4.308 4.148 46.277 1.00 8.87 C ATOM 828 C ASP A 148 5.497 5.107 46.378 1.00 8.89 C ATOM 829 O ASP A 148 6.043 5.530 45.357 1.00 8.72 O ATOM 830 CB ASP A 148 2.940 4.853 46.451 1.00 9.73 C ATOM 831 CG ASP A 148 2.782 5.588 47.780 1.00 10.10 C ATOM 832 OD1 ASP A 148 3.441 5.246 48.776 1.00 10.85 O ATOM 833 OD2 ASP A 148 1.953 6.516 47.828 1.00 8.72 O ATOM 0 H ASP A 148 3.874 2.972 47.809 1.00 8.87 H new ATOM 0 HA ASP A 148 4.311 3.802 45.371 1.00 8.87 H new ATOM 0 HB2 ASP A 148 2.819 5.486 45.726 1.00 9.73 H new ATOM 0 HB3 ASP A 148 2.234 4.192 46.372 1.00 9.73 H new ATOM 834 N HIS A 149 5.958 5.357 47.604 1.00 9.29 N ATOM 835 CA HIS A 149 7.088 6.257 47.840 1.00 8.41 C ATOM 836 C HIS A 149 8.417 5.655 47.395 1.00 9.09 C ATOM 837 O HIS A 149 9.345 6.391 47.050 1.00 9.27 O ATOM 838 CB HIS A 149 7.130 6.677 49.297 1.00 8.79 C ATOM 839 CG HIS A 149 5.964 7.519 49.704 1.00 8.59 C ATOM 840 ND1 HIS A 149 5.277 8.313 48.809 1.00 9.68 N ATOM 841 CD2 HIS A 149 5.367 7.701 50.905 1.00 8.91 C ATOM 842 CE1 HIS A 149 4.308 8.950 49.442 1.00 11.33 C ATOM 843 NE2 HIS A 149 4.341 8.594 50.716 1.00 9.07 N ATOM 0 H HIS A 149 5.627 5.012 48.319 1.00 9.29 H new ATOM 0 HA HIS A 149 6.951 7.046 47.293 1.00 8.41 H new ATOM 0 HB2 HIS A 149 7.159 5.884 49.855 1.00 8.79 H new ATOM 0 HB3 HIS A 149 7.949 7.169 49.462 1.00 8.79 H new ATOM 0 HD2 HIS A 149 5.607 7.297 51.708 1.00 8.91 H new ATOM 0 HE1 HIS A 149 3.706 9.546 49.058 1.00 11.33 H new ATOM 0 HE2 HIS A 149 3.806 8.876 51.327 1.00 9.07 H new ATOM 844 N LEU A 150 8.517 4.323 47.420 1.00 7.86 N ATOM 845 CA LEU A 150 9.732 3.660 46.945 1.00 7.62 C ATOM 846 C LEU A 150 9.852 3.893 45.423 1.00 7.77 C ATOM 847 O LEU A 150 10.931 4.214 44.924 1.00 7.36 O ATOM 848 CB LEU A 150 9.706 2.154 47.254 1.00 8.05 C ATOM 849 CG LEU A 150 10.767 1.286 46.543 1.00 9.25 C ATOM 850 CD1 LEU A 150 12.162 1.758 46.917 1.00 8.21 C ATOM 851 CD2 LEU A 150 10.598 -0.183 46.875 1.00 9.41 C ATOM 0 H LEU A 150 7.902 3.793 47.704 1.00 7.86 H new ATOM 0 HA LEU A 150 10.500 4.035 47.404 1.00 7.62 H new ATOM 0 HB2 LEU A 150 9.811 2.039 48.211 1.00 8.05 H new ATOM 0 HB3 LEU A 150 8.829 1.812 47.022 1.00 8.05 H new ATOM 0 HG LEU A 150 10.643 1.386 45.586 1.00 9.25 H new ATOM 0 HD11 LEU A 150 12.822 1.208 46.466 1.00 8.21 H new ATOM 0 HD12 LEU A 150 12.274 2.683 46.647 1.00 8.21 H new ATOM 0 HD13 LEU A 150 12.282 1.685 47.877 1.00 8.21 H new ATOM 0 HD21 LEU A 150 11.278 -0.699 46.414 1.00 9.41 H new ATOM 0 HD22 LEU A 150 10.689 -0.311 47.832 1.00 9.41 H new ATOM 0 HD23 LEU A 150 9.719 -0.480 46.591 1.00 9.41 H new ATOM 852 N THR A 151 8.747 3.739 44.692 1.00 7.55 N ATOM 853 CA THR A 151 8.755 3.945 43.242 1.00 7.85 C ATOM 854 C THR A 151 9.247 5.346 42.854 1.00 8.06 C ATOM 855 O THR A 151 10.141 5.480 42.023 1.00 8.53 O ATOM 856 CB THR A 151 7.356 3.700 42.630 1.00 8.63 C ATOM 857 OG1 THR A 151 6.978 2.342 42.867 1.00 9.39 O ATOM 858 CG2 THR A 151 7.358 3.959 41.121 1.00 9.00 C ATOM 0 H THR A 151 7.982 3.516 45.016 1.00 7.55 H new ATOM 0 HA THR A 151 9.379 3.296 42.881 1.00 7.85 H new ATOM 0 HB THR A 151 6.727 4.310 43.046 1.00 8.63 H new ATOM 0 HG1 THR A 151 7.655 1.848 42.806 1.00 9.39 H new ATOM 0 HG21 THR A 151 6.471 3.798 40.764 1.00 9.00 H new ATOM 0 HG22 THR A 151 7.613 4.879 40.951 1.00 9.00 H new ATOM 0 HG23 THR A 151 7.992 3.364 40.691 1.00 9.00 H new ATOM 859 N THR A 152 8.693 6.395 43.463 1.00 8.24 N ATOM 860 CA THR A 152 9.141 7.741 43.111 1.00 8.12 C ATOM 861 C THR A 152 10.588 7.995 43.536 1.00 8.60 C ATOM 862 O THR A 152 11.324 8.707 42.847 1.00 8.53 O ATOM 863 CB THR A 152 8.184 8.839 43.632 1.00 8.68 C ATOM 864 OG1 THR A 152 7.998 8.703 45.041 1.00 9.42 O ATOM 865 CG2 THR A 152 6.824 8.737 42.923 1.00 9.28 C ATOM 0 H THR A 152 8.078 6.353 44.062 1.00 8.24 H new ATOM 0 HA THR A 152 9.117 7.792 42.143 1.00 8.12 H new ATOM 0 HB THR A 152 8.578 9.705 43.444 1.00 8.68 H new ATOM 0 HG1 THR A 152 8.541 8.137 45.342 1.00 9.42 H new ATOM 0 HG21 THR A 152 6.232 9.429 43.257 1.00 9.28 H new ATOM 0 HG22 THR A 152 6.948 8.851 41.968 1.00 9.28 H new ATOM 0 HG23 THR A 152 6.433 7.866 43.097 1.00 9.28 H new ATOM 866 N HIS A 153 11.005 7.390 44.651 1.00 8.48 N ATOM 867 CA HIS A 153 12.378 7.515 45.127 1.00 8.04 C ATOM 868 C HIS A 153 13.335 6.925 44.094 1.00 9.09 C ATOM 869 O HIS A 153 14.405 7.488 43.843 1.00 8.74 O ATOM 870 CB HIS A 153 12.578 6.769 46.448 1.00 8.37 C ATOM 871 CG HIS A 153 14.018 6.469 46.755 1.00 8.50 C ATOM 872 ND1 HIS A 153 14.896 7.424 47.218 1.00 8.21 N ATOM 873 CD2 HIS A 153 14.744 5.333 46.609 1.00 9.15 C ATOM 874 CE1 HIS A 153 16.102 6.895 47.335 1.00 9.21 C ATOM 875 NE2 HIS A 153 16.038 5.627 46.972 1.00 9.25 N ATOM 0 H HIS A 153 10.502 6.900 45.147 1.00 8.48 H new ATOM 0 HA HIS A 153 12.559 8.458 45.264 1.00 8.04 H new ATOM 0 HB2 HIS A 153 12.204 7.298 47.170 1.00 8.37 H new ATOM 0 HB3 HIS A 153 12.081 5.937 46.420 1.00 8.37 H new ATOM 0 HD1 HIS A 153 14.691 8.239 47.403 1.00 8.21 H new ATOM 0 HD2 HIS A 153 14.426 4.509 46.318 1.00 9.15 H new ATOM 0 HE1 HIS A 153 16.866 7.340 47.624 1.00 9.21 H new ATOM 876 N ILE A 154 12.963 5.780 43.516 1.00 8.86 N ATOM 877 CA ILE A 154 13.819 5.118 42.530 1.00 9.14 C ATOM 878 C ILE A 154 14.122 6.003 41.321 1.00 9.36 C ATOM 879 O ILE A 154 15.201 5.900 40.735 1.00 9.17 O ATOM 880 CB ILE A 154 13.250 3.728 42.123 1.00 9.93 C ATOM 881 CG1 ILE A 154 13.352 2.774 43.324 1.00 9.80 C ATOM 882 CG2 ILE A 154 14.025 3.143 40.925 1.00 10.02 C ATOM 883 CD1 ILE A 154 12.606 1.460 43.149 1.00 11.62 C ATOM 0 H ILE A 154 12.223 5.373 43.680 1.00 8.86 H new ATOM 0 HA ILE A 154 14.674 4.961 42.961 1.00 9.14 H new ATOM 0 HB ILE A 154 12.323 3.834 41.859 1.00 9.93 H new ATOM 0 HG12 ILE A 154 14.288 2.582 43.492 1.00 9.80 H new ATOM 0 HG13 ILE A 154 13.009 3.225 44.111 1.00 9.80 H new ATOM 0 HG21 ILE A 154 13.653 2.278 40.690 1.00 10.02 H new ATOM 0 HG22 ILE A 154 13.951 3.743 40.167 1.00 10.02 H new ATOM 0 HG23 ILE A 154 14.959 3.039 41.164 1.00 10.02 H new ATOM 0 HD11 ILE A 154 12.718 0.916 43.944 1.00 11.62 H new ATOM 0 HD12 ILE A 154 11.663 1.639 43.010 1.00 11.62 H new ATOM 0 HD13 ILE A 154 12.961 0.986 42.381 1.00 11.62 H new ATOM 884 N ARG A 155 13.203 6.918 40.998 1.00 9.99 N ATOM 885 CA ARG A 155 13.395 7.840 39.869 1.00 10.80 C ATOM 886 C ARG A 155 14.538 8.819 40.122 1.00 9.91 C ATOM 887 O ARG A 155 15.060 9.421 39.186 1.00 11.67 O ATOM 888 CB ARG A 155 12.104 8.604 39.550 1.00 10.77 C ATOM 889 CG ARG A 155 10.954 7.704 39.146 1.00 11.05 C ATOM 890 CD ARG A 155 9.764 8.472 38.572 1.00 11.95 C ATOM 891 NE ARG A 155 8.697 7.532 38.277 1.00 12.79 N ATOM 892 CZ ARG A 155 7.397 7.748 38.478 1.00 13.83 C ATOM 893 NH1 ARG A 155 6.959 8.909 38.961 1.00 11.80 N ATOM 894 NH2 ARG A 155 6.544 6.742 38.315 1.00 12.83 N ATOM 0 H ARG A 155 12.461 7.022 41.419 1.00 9.99 H new ATOM 0 HA ARG A 155 13.632 7.297 39.101 1.00 10.80 H new ATOM 0 HB2 ARG A 155 11.842 9.122 40.327 1.00 10.77 H new ATOM 0 HB3 ARG A 155 12.278 9.235 38.834 1.00 10.77 H new ATOM 0 HG2 ARG A 155 11.267 7.064 38.487 1.00 11.05 H new ATOM 0 HG3 ARG A 155 10.662 7.196 39.919 1.00 11.05 H new ATOM 0 HD2 ARG A 155 9.458 9.139 39.206 1.00 11.95 H new ATOM 0 HD3 ARG A 155 10.027 8.945 37.767 1.00 11.95 H new ATOM 0 HE ARG A 155 8.923 6.772 37.945 1.00 12.79 H new ATOM 0 HH11 ARG A 155 7.518 9.535 39.149 1.00 11.80 H new ATOM 0 HH12 ARG A 155 6.117 9.033 39.085 1.00 11.80 H new ATOM 0 HH21 ARG A 155 6.833 5.966 38.083 1.00 12.83 H new ATOM 0 HH22 ARG A 155 5.703 6.867 38.441 1.00 12.83 H new ATOM 895 N THR A 156 14.919 8.998 41.383 1.00 10.15 N ATOM 896 CA THR A 156 16.025 9.895 41.700 1.00 11.04 C ATOM 897 C THR A 156 17.331 9.247 41.222 1.00 12.05 C ATOM 898 O THR A 156 18.316 9.937 40.988 1.00 13.34 O ATOM 899 CB THR A 156 16.125 10.234 43.211 1.00 10.83 C ATOM 900 OG1 THR A 156 16.564 9.092 43.951 1.00 13.27 O ATOM 901 CG2 THR A 156 14.780 10.706 43.743 1.00 11.93 C ATOM 0 H THR A 156 14.556 8.615 42.062 1.00 10.15 H new ATOM 0 HA THR A 156 15.863 10.735 41.243 1.00 11.04 H new ATOM 0 HB THR A 156 16.773 10.948 43.319 1.00 10.83 H new ATOM 0 HG1 THR A 156 15.948 8.521 43.977 1.00 13.27 H new ATOM 0 HG21 THR A 156 14.860 10.913 44.687 1.00 11.93 H new ATOM 0 HG22 THR A 156 14.502 11.500 43.260 1.00 11.93 H new ATOM 0 HG23 THR A 156 14.120 10.006 43.621 1.00 11.93 H new ATOM 902 N HIS A 157 17.324 7.921 41.097 1.00 10.81 N ATOM 903 CA HIS A 157 18.489 7.164 40.637 1.00 11.48 C ATOM 904 C HIS A 157 18.504 7.020 39.108 1.00 11.01 C ATOM 905 O HIS A 157 19.558 7.105 38.476 1.00 12.23 O ATOM 906 CB HIS A 157 18.478 5.749 41.225 1.00 11.35 C ATOM 907 CG HIS A 157 18.591 5.695 42.712 1.00 11.87 C ATOM 908 ND1 HIS A 157 19.577 6.356 43.413 1.00 10.47 N ATOM 909 CD2 HIS A 157 17.871 5.011 43.631 1.00 10.86 C ATOM 910 CE1 HIS A 157 19.461 6.080 44.699 1.00 11.03 C ATOM 911 NE2 HIS A 157 18.434 5.264 44.859 1.00 10.97 N ATOM 0 H HIS A 157 16.640 7.432 41.277 1.00 10.81 H new ATOM 0 HA HIS A 157 19.271 7.657 40.930 1.00 11.48 H new ATOM 0 HB2 HIS A 157 17.657 5.307 40.958 1.00 11.35 H new ATOM 0 HB3 HIS A 157 19.211 5.245 40.838 1.00 11.35 H new ATOM 0 HD1 HIS A 157 20.175 6.868 43.067 1.00 10.47 H new ATOM 0 HD2 HIS A 157 17.133 4.471 43.463 1.00 10.86 H new ATOM 0 HE1 HIS A 157 20.009 6.405 45.377 1.00 11.03 H new ATOM 912 N THR A 158 17.341 6.744 38.524 1.00 11.38 N ATOM 913 CA THR A 158 17.246 6.544 37.085 1.00 11.39 C ATOM 914 C THR A 158 17.123 7.829 36.266 1.00 11.26 C ATOM 915 O THR A 158 17.507 7.855 35.102 1.00 11.80 O ATOM 916 CB THR A 158 16.075 5.605 36.735 1.00 11.92 C ATOM 917 OG1 THR A 158 14.845 6.195 37.179 1.00 13.14 O ATOM 918 CG2 THR A 158 16.259 4.231 37.408 1.00 11.58 C ATOM 0 H THR A 158 16.595 6.669 38.946 1.00 11.38 H new ATOM 0 HA THR A 158 18.093 6.141 36.838 1.00 11.39 H new ATOM 0 HB THR A 158 16.053 5.478 35.774 1.00 11.92 H new ATOM 0 HG1 THR A 158 14.254 5.601 37.237 1.00 13.14 H new ATOM 0 HG21 THR A 158 15.514 3.655 37.177 1.00 11.58 H new ATOM 0 HG22 THR A 158 17.086 3.828 37.101 1.00 11.58 H new ATOM 0 HG23 THR A 158 16.293 4.344 38.371 1.00 11.58 H new ATOM 919 N GLY A 159 16.628 8.896 36.882 1.00 11.05 N ATOM 920 CA GLY A 159 16.450 10.142 36.163 1.00 10.96 C ATOM 921 C GLY A 159 15.141 10.170 35.386 1.00 11.24 C ATOM 922 O GLY A 159 14.929 11.062 34.568 1.00 11.80 O ATOM 0 H GLY A 159 16.392 8.917 37.709 1.00 11.05 H new ATOM 0 HA2 GLY A 159 16.469 10.882 36.790 1.00 10.96 H new ATOM 0 HA3 GLY A 159 17.191 10.270 35.551 1.00 10.96 H new ATOM 923 N GLU A 160 14.266 9.196 35.629 1.00 10.81 N ATOM 924 CA GLU A 160 12.964 9.133 34.959 1.00 11.22 C ATOM 925 C GLU A 160 12.092 10.302 35.434 1.00 11.14 C ATOM 926 O GLU A 160 11.885 10.492 36.630 1.00 11.43 O ATOM 927 CB GLU A 160 12.274 7.804 35.270 1.00 12.89 C ATOM 928 CG GLU A 160 10.961 7.594 34.530 1.00 17.00 C ATOM 929 CD GLU A 160 10.154 6.410 35.060 1.00 20.61 C ATOM 930 OE1 GLU A 160 10.554 5.793 36.069 1.00 22.50 O ATOM 931 OE2 GLU A 160 9.096 6.102 34.470 1.00 24.61 O ATOM 0 H GLU A 160 14.408 8.555 36.184 1.00 10.81 H new ATOM 0 HA GLU A 160 13.094 9.196 34.000 1.00 11.22 H new ATOM 0 HB2 GLU A 160 12.878 7.078 35.048 1.00 12.89 H new ATOM 0 HB3 GLU A 160 12.107 7.753 36.224 1.00 12.89 H new ATOM 0 HG2 GLU A 160 10.425 8.400 34.599 1.00 17.00 H new ATOM 0 HG3 GLU A 160 11.146 7.456 33.588 1.00 17.00 H new ATOM 932 N LYS A 161 11.617 11.100 34.484 1.00 10.25 N ATOM 933 CA LYS A 161 10.793 12.271 34.778 1.00 10.15 C ATOM 934 C LYS A 161 9.630 12.273 33.793 1.00 10.32 C ATOM 935 O LYS A 161 9.675 12.943 32.763 1.00 9.82 O ATOM 936 CB LYS A 161 11.639 13.537 34.632 1.00 10.40 C ATOM 937 CG LYS A 161 12.750 13.617 35.653 1.00 11.24 C ATOM 938 CD LYS A 161 13.527 14.880 35.510 1.00 12.51 C ATOM 939 CE LYS A 161 14.647 14.946 36.523 1.00 15.11 C ATOM 940 NZ LYS A 161 15.457 16.178 36.312 1.00 16.70 N ATOM 0 H LYS A 161 11.764 10.978 33.645 1.00 10.25 H new ATOM 0 HA LYS A 161 10.452 12.244 35.686 1.00 10.15 H new ATOM 0 HB2 LYS A 161 12.021 13.565 33.741 1.00 10.40 H new ATOM 0 HB3 LYS A 161 11.067 14.316 34.720 1.00 10.40 H new ATOM 0 HG2 LYS A 161 12.376 13.565 36.546 1.00 11.24 H new ATOM 0 HG3 LYS A 161 13.343 12.856 35.549 1.00 11.24 H new ATOM 0 HD2 LYS A 161 13.893 14.938 34.614 1.00 12.51 H new ATOM 0 HD3 LYS A 161 12.937 15.641 35.625 1.00 12.51 H new ATOM 0 HE2 LYS A 161 14.281 14.941 37.421 1.00 15.11 H new ATOM 0 HE3 LYS A 161 15.212 14.161 36.443 1.00 15.11 H new ATOM 0 HZ1 LYS A 161 16.265 16.067 36.668 1.00 16.70 H new ATOM 0 HZ2 LYS A 161 15.537 16.335 35.440 1.00 16.70 H new ATOM 0 HZ3 LYS A 161 15.054 16.869 36.702 1.00 16.70 H new ATOM 941 N PRO A 162 8.545 11.555 34.135 1.00 9.85 N ATOM 942 CA PRO A 162 7.339 11.416 33.308 1.00 9.61 C ATOM 943 C PRO A 162 6.407 12.607 33.168 1.00 9.89 C ATOM 944 O PRO A 162 5.533 12.593 32.307 1.00 10.62 O ATOM 945 CB PRO A 162 6.582 10.273 33.997 1.00 10.51 C ATOM 946 CG PRO A 162 7.608 9.632 34.949 1.00 8.85 C ATOM 947 CD PRO A 162 8.394 10.810 35.397 1.00 9.63 C ATOM 0 HA PRO A 162 7.624 11.282 32.391 1.00 9.61 H new ATOM 0 HB2 PRO A 162 5.811 10.605 34.483 1.00 10.51 H new ATOM 0 HB3 PRO A 162 6.253 9.629 33.350 1.00 10.51 H new ATOM 0 HG2 PRO A 162 7.180 9.178 35.691 1.00 8.85 H new ATOM 0 HG3 PRO A 162 8.162 8.977 34.497 1.00 8.85 H new ATOM 0 HD2 PRO A 162 7.927 11.326 36.072 1.00 9.63 H new ATOM 0 HD3 PRO A 162 9.250 10.556 35.776 1.00 9.63 H new ATOM 948 N PHE A 163 6.597 13.636 33.986 1.00 9.14 N ATOM 949 CA PHE A 163 5.680 14.773 33.986 1.00 8.84 C ATOM 950 C PHE A 163 6.245 16.097 33.479 1.00 8.38 C ATOM 951 O PHE A 163 6.954 16.795 34.189 1.00 9.27 O ATOM 952 CB PHE A 163 5.078 14.907 35.390 1.00 9.30 C ATOM 953 CG PHE A 163 4.556 13.603 35.940 1.00 10.07 C ATOM 954 CD1 PHE A 163 3.313 13.120 35.546 1.00 10.85 C ATOM 955 CD2 PHE A 163 5.339 12.821 36.788 1.00 10.04 C ATOM 956 CE1 PHE A 163 2.857 11.870 35.982 1.00 12.60 C ATOM 957 CE2 PHE A 163 4.894 11.575 37.229 1.00 10.10 C ATOM 958 CZ PHE A 163 3.654 11.098 36.826 1.00 11.15 C ATOM 0 H PHE A 163 7.247 13.697 34.546 1.00 9.14 H new ATOM 0 HA PHE A 163 4.996 14.574 33.327 1.00 8.84 H new ATOM 0 HB2 PHE A 163 5.752 15.258 35.992 1.00 9.30 H new ATOM 0 HB3 PHE A 163 4.355 15.553 35.365 1.00 9.30 H new ATOM 0 HD1 PHE A 163 2.778 13.634 34.986 1.00 10.85 H new ATOM 0 HD2 PHE A 163 6.170 13.135 37.064 1.00 10.04 H new ATOM 0 HE1 PHE A 163 2.025 11.556 35.709 1.00 12.60 H new ATOM 0 HE2 PHE A 163 5.428 11.064 37.793 1.00 10.10 H new ATOM 0 HZ PHE A 163 3.356 10.267 37.118 1.00 11.15 H new ATOM 959 N ALA A 164 5.864 16.450 32.255 1.00 8.40 N ATOM 960 CA ALA A 164 6.340 17.663 31.598 1.00 8.00 C ATOM 961 C ALA A 164 5.373 18.838 31.680 1.00 8.18 C ATOM 962 O ALA A 164 4.170 18.692 31.434 1.00 7.86 O ATOM 963 CB ALA A 164 6.674 17.368 30.128 1.00 9.31 C ATOM 0 H ALA A 164 5.317 15.988 31.778 1.00 8.40 H new ATOM 0 HA ALA A 164 7.136 17.933 32.083 1.00 8.00 H new ATOM 0 HB1 ALA A 164 6.989 18.179 29.699 1.00 9.31 H new ATOM 0 HB2 ALA A 164 7.365 16.689 30.083 1.00 9.31 H new ATOM 0 HB3 ALA A 164 5.879 17.050 29.673 1.00 9.31 H new ATOM 964 N CYS A 165 5.920 20.010 31.982 1.00 7.53 N ATOM 965 CA CYS A 165 5.128 21.225 32.080 1.00 7.10 C ATOM 966 C CYS A 165 4.508 21.550 30.727 1.00 7.51 C ATOM 967 O CYS A 165 5.176 21.495 29.696 1.00 7.14 O ATOM 968 CB CYS A 165 6.003 22.388 32.531 1.00 8.53 C ATOM 969 SG CYS A 165 5.147 23.965 32.565 1.00 8.51 S ATOM 0 H CYS A 165 6.759 20.121 32.135 1.00 7.53 H new ATOM 0 HA CYS A 165 4.424 21.086 32.732 1.00 7.10 H new ATOM 0 HB2 CYS A 165 6.349 22.198 33.417 1.00 8.53 H new ATOM 0 HB3 CYS A 165 6.767 22.457 31.937 1.00 8.53 H new ATOM 970 N ASP A 166 3.209 21.829 30.729 1.00 7.13 N ATOM 971 CA ASP A 166 2.495 22.162 29.499 1.00 8.60 C ATOM 972 C ASP A 166 2.979 23.473 28.868 1.00 8.89 C ATOM 973 O ASP A 166 2.856 23.668 27.663 1.00 10.47 O ATOM 974 CB ASP A 166 0.990 22.291 29.774 1.00 7.76 C ATOM 975 CG ASP A 166 0.291 20.950 29.932 1.00 7.44 C ATOM 976 OD1 ASP A 166 0.796 19.921 29.449 1.00 7.95 O ATOM 977 OD2 ASP A 166 -0.800 20.932 30.525 1.00 7.82 O ATOM 0 H ASP A 166 2.719 21.831 31.436 1.00 7.13 H new ATOM 0 HA ASP A 166 2.674 21.438 28.878 1.00 8.60 H new ATOM 0 HB2 ASP A 166 0.858 22.814 30.580 1.00 7.76 H new ATOM 0 HB3 ASP A 166 0.575 22.781 29.047 1.00 7.76 H new ATOM 978 N ILE A 167 3.517 24.370 29.688 1.00 8.90 N ATOM 979 CA ILE A 167 3.966 25.659 29.189 1.00 8.10 C ATOM 980 C ILE A 167 5.371 25.658 28.643 1.00 8.36 C ATOM 981 O ILE A 167 5.591 26.108 27.522 1.00 9.00 O ATOM 982 CB ILE A 167 3.862 26.755 30.271 1.00 8.18 C ATOM 983 CG1 ILE A 167 2.422 26.855 30.800 1.00 9.31 C ATOM 984 CG2 ILE A 167 4.341 28.105 29.718 1.00 7.83 C ATOM 985 CD1 ILE A 167 1.401 27.330 29.770 1.00 9.64 C ATOM 0 H ILE A 167 3.630 24.251 30.532 1.00 8.90 H new ATOM 0 HA ILE A 167 3.365 25.851 28.452 1.00 8.10 H new ATOM 0 HB ILE A 167 4.438 26.513 31.013 1.00 8.18 H new ATOM 0 HG12 ILE A 167 2.150 25.985 31.131 1.00 9.31 H new ATOM 0 HG13 ILE A 167 2.409 27.463 31.556 1.00 9.31 H new ATOM 0 HG21 ILE A 167 4.269 28.782 30.409 1.00 7.83 H new ATOM 0 HG22 ILE A 167 5.266 28.029 29.435 1.00 7.83 H new ATOM 0 HG23 ILE A 167 3.791 28.358 28.960 1.00 7.83 H new ATOM 0 HD11 ILE A 167 0.522 27.366 30.178 1.00 9.64 H new ATOM 0 HD12 ILE A 167 1.647 28.213 29.454 1.00 9.64 H new ATOM 0 HD13 ILE A 167 1.384 26.712 29.022 1.00 9.64 H new ATOM 986 N CYS A 168 6.318 25.143 29.427 1.00 8.87 N ATOM 987 CA CYS A 168 7.730 25.160 29.023 1.00 8.80 C ATOM 988 C CYS A 168 8.404 23.819 28.736 1.00 9.20 C ATOM 989 O CYS A 168 9.574 23.798 28.341 1.00 9.66 O ATOM 990 CB CYS A 168 8.563 25.907 30.069 1.00 8.22 C ATOM 991 SG CYS A 168 8.855 24.963 31.587 1.00 9.66 S ATOM 0 H CYS A 168 6.168 24.781 30.192 1.00 8.87 H new ATOM 0 HA CYS A 168 7.704 25.608 28.163 1.00 8.80 H new ATOM 0 HB2 CYS A 168 9.418 26.146 29.678 1.00 8.22 H new ATOM 0 HB3 CYS A 168 8.113 26.736 30.296 1.00 8.22 H new ATOM 992 N GLY A 169 7.709 22.715 29.002 1.00 8.68 N ATOM 993 CA GLY A 169 8.274 21.402 28.753 1.00 8.36 C ATOM 994 C GLY A 169 9.180 20.845 29.837 1.00 8.05 C ATOM 995 O GLY A 169 9.627 19.706 29.721 1.00 9.71 O ATOM 0 H GLY A 169 6.912 22.709 29.326 1.00 8.68 H new ATOM 0 HA2 GLY A 169 7.545 20.778 28.615 1.00 8.36 H new ATOM 0 HA3 GLY A 169 8.777 21.439 27.924 1.00 8.36 H new ATOM 996 N ARG A 170 9.457 21.611 30.889 1.00 7.91 N ATOM 997 CA ARG A 170 10.333 21.119 31.959 1.00 9.02 C ATOM 998 C ARG A 170 9.746 19.855 32.574 1.00 9.46 C ATOM 999 O ARG A 170 8.559 19.823 32.907 1.00 10.08 O ATOM 1000 CB ARG A 170 10.537 22.179 33.036 1.00 7.77 C ATOM 1001 CG ARG A 170 11.550 21.747 34.053 1.00 10.72 C ATOM 1002 CD ARG A 170 11.998 22.888 34.914 1.00 12.85 C ATOM 1003 NE ARG A 170 12.989 22.426 35.871 1.00 15.30 N ATOM 1004 CZ ARG A 170 13.584 23.201 36.766 1.00 17.47 C ATOM 1005 NH1 ARG A 170 13.285 24.491 36.832 1.00 18.29 N ATOM 1006 NH2 ARG A 170 14.498 22.688 37.580 1.00 18.64 N ATOM 0 H ARG A 170 9.155 22.408 31.005 1.00 7.91 H new ATOM 0 HA ARG A 170 11.198 20.914 31.571 1.00 9.02 H new ATOM 0 HB2 ARG A 170 10.825 23.008 32.624 1.00 7.77 H new ATOM 0 HB3 ARG A 170 9.692 22.360 33.477 1.00 7.77 H new ATOM 0 HG2 ARG A 170 11.171 21.050 34.611 1.00 10.72 H new ATOM 0 HG3 ARG A 170 12.317 21.362 33.601 1.00 10.72 H new ATOM 0 HD2 ARG A 170 12.373 23.592 34.362 1.00 12.85 H new ATOM 0 HD3 ARG A 170 11.238 23.269 35.382 1.00 12.85 H new ATOM 0 HE ARG A 170 13.204 21.593 35.855 1.00 15.30 H new ATOM 0 HH11 ARG A 170 12.704 24.826 36.293 1.00 18.29 H new ATOM 0 HH12 ARG A 170 13.672 24.993 37.413 1.00 18.29 H new ATOM 0 HH21 ARG A 170 14.703 21.855 37.526 1.00 18.64 H new ATOM 0 HH22 ARG A 170 14.886 23.189 38.162 1.00 18.64 H new ATOM 1007 N LYS A 171 10.583 18.826 32.727 1.00 9.24 N ATOM 1008 CA LYS A 171 10.143 17.533 33.259 1.00 9.38 C ATOM 1009 C LYS A 171 10.423 17.311 34.735 1.00 8.32 C ATOM 1010 O LYS A 171 11.455 17.731 35.247 1.00 9.01 O ATOM 1011 CB LYS A 171 10.779 16.396 32.460 1.00 10.74 C ATOM 1012 CG LYS A 171 10.326 16.308 31.011 1.00 13.85 C ATOM 1013 CD LYS A 171 11.110 15.245 30.268 1.00 17.12 C ATOM 1014 CE LYS A 171 10.674 15.166 28.822 1.00 21.45 C ATOM 1015 NZ LYS A 171 11.646 14.404 27.990 1.00 25.10 N ATOM 0 H LYS A 171 11.419 18.858 32.526 1.00 9.24 H new ATOM 0 HA LYS A 171 9.177 17.542 33.167 1.00 9.38 H new ATOM 0 HB2 LYS A 171 11.743 16.503 32.479 1.00 10.74 H new ATOM 0 HB3 LYS A 171 10.578 15.555 32.901 1.00 10.74 H new ATOM 0 HG2 LYS A 171 9.379 16.102 30.975 1.00 13.85 H new ATOM 0 HG3 LYS A 171 10.446 17.167 30.577 1.00 13.85 H new ATOM 0 HD2 LYS A 171 12.058 15.446 30.314 1.00 17.12 H new ATOM 0 HD3 LYS A 171 10.981 14.384 30.696 1.00 17.12 H new ATOM 0 HE2 LYS A 171 9.803 14.743 28.770 1.00 21.45 H new ATOM 0 HE3 LYS A 171 10.576 16.062 28.465 1.00 21.45 H new ATOM 0 HZ1 LYS A 171 11.359 14.377 27.148 1.00 25.10 H new ATOM 0 HZ2 LYS A 171 12.440 14.804 28.020 1.00 25.10 H new ATOM 0 HZ3 LYS A 171 11.720 13.575 28.304 1.00 25.10 H new ATOM 1016 N PHE A 172 9.532 16.565 35.387 1.00 8.22 N ATOM 1017 CA PHE A 172 9.648 16.253 36.809 1.00 7.72 C ATOM 1018 C PHE A 172 9.354 14.779 37.075 1.00 8.44 C ATOM 1019 O PHE A 172 8.614 14.131 36.331 1.00 7.82 O ATOM 1020 CB PHE A 172 8.681 17.121 37.629 1.00 7.34 C ATOM 1021 CG PHE A 172 8.913 18.602 37.467 1.00 8.09 C ATOM 1022 CD1 PHE A 172 8.289 19.317 36.439 1.00 8.26 C ATOM 1023 CD2 PHE A 172 9.798 19.273 38.302 1.00 7.78 C ATOM 1024 CE1 PHE A 172 8.556 20.668 36.254 1.00 7.05 C ATOM 1025 CE2 PHE A 172 10.066 20.625 38.115 1.00 6.68 C ATOM 1026 CZ PHE A 172 9.450 21.312 37.099 1.00 7.51 C ATOM 0 H PHE A 172 8.838 16.223 35.012 1.00 8.22 H new ATOM 0 HA PHE A 172 10.560 16.442 37.078 1.00 7.72 H new ATOM 0 HB2 PHE A 172 7.770 16.913 37.367 1.00 7.34 H new ATOM 0 HB3 PHE A 172 8.766 16.889 38.567 1.00 7.34 H new ATOM 0 HD1 PHE A 172 7.690 18.884 35.874 1.00 8.26 H new ATOM 0 HD2 PHE A 172 10.216 18.813 38.994 1.00 7.78 H new ATOM 0 HE1 PHE A 172 8.139 21.138 35.569 1.00 7.05 H new ATOM 0 HE2 PHE A 172 10.662 21.063 38.678 1.00 6.68 H new ATOM 0 HZ PHE A 172 9.633 22.215 36.976 1.00 7.51 H new ATOM 1027 N ALA A 173 9.921 14.265 38.163 1.00 8.17 N ATOM 1028 CA ALA A 173 9.732 12.867 38.545 1.00 8.42 C ATOM 1029 C ALA A 173 8.335 12.596 39.079 1.00 9.37 C ATOM 1030 O ALA A 173 7.815 11.489 38.919 1.00 10.01 O ATOM 1031 CB ALA A 173 10.788 12.458 39.589 1.00 8.46 C ATOM 0 H ALA A 173 10.423 14.713 38.698 1.00 8.17 H new ATOM 0 HA ALA A 173 9.841 12.332 37.743 1.00 8.42 H new ATOM 0 HB1 ALA A 173 10.656 11.530 39.837 1.00 8.46 H new ATOM 0 HB2 ALA A 173 11.675 12.568 39.213 1.00 8.46 H new ATOM 0 HB3 ALA A 173 10.699 13.018 40.376 1.00 8.46 H new ATOM 1032 N ARG A 174 7.730 13.598 39.725 1.00 9.36 N ATOM 1033 CA ARG A 174 6.394 13.440 40.303 1.00 9.18 C ATOM 1034 C ARG A 174 5.390 14.438 39.768 1.00 8.73 C ATOM 1035 O ARG A 174 5.746 15.575 39.439 1.00 8.56 O ATOM 1036 CB ARG A 174 6.442 13.557 41.828 1.00 9.20 C ATOM 1037 CG ARG A 174 7.446 12.638 42.509 1.00 10.44 C ATOM 1038 CD ARG A 174 7.053 12.378 43.954 1.00 11.01 C ATOM 1039 NE ARG A 174 6.786 13.616 44.688 1.00 9.68 N ATOM 1040 CZ ARG A 174 7.409 13.987 45.802 1.00 10.37 C ATOM 1041 NH1 ARG A 174 8.363 13.230 46.333 1.00 9.88 N ATOM 1042 NH2 ARG A 174 7.016 15.085 46.434 1.00 10.22 N ATOM 0 H ARG A 174 8.077 14.376 39.839 1.00 9.36 H new ATOM 0 HA ARG A 174 6.099 12.553 40.042 1.00 9.18 H new ATOM 0 HB2 ARG A 174 6.652 14.474 42.063 1.00 9.20 H new ATOM 0 HB3 ARG A 174 5.559 13.369 42.182 1.00 9.20 H new ATOM 0 HG2 ARG A 174 7.498 11.797 42.028 1.00 10.44 H new ATOM 0 HG3 ARG A 174 8.329 13.038 42.477 1.00 10.44 H new ATOM 0 HD2 ARG A 174 6.264 11.815 43.976 1.00 11.01 H new ATOM 0 HD3 ARG A 174 7.763 11.888 44.397 1.00 11.01 H new ATOM 0 HE ARG A 174 6.182 14.142 44.375 1.00 9.68 H new ATOM 0 HH11 ARG A 174 8.584 12.490 45.956 1.00 9.88 H new ATOM 0 HH12 ARG A 174 8.759 13.480 47.054 1.00 9.88 H new ATOM 0 HH21 ARG A 174 6.363 15.550 46.122 1.00 10.22 H new ATOM 0 HH22 ARG A 174 7.414 15.332 47.155 1.00 10.22 H new ATOM 1043 N SER A 175 4.126 14.021 39.717 1.00 8.28 N ATOM 1044 CA SER A 175 3.049 14.883 39.215 1.00 9.30 C ATOM 1045 C SER A 175 2.862 16.126 40.096 1.00 8.96 C ATOM 1046 O SER A 175 2.559 17.207 39.594 1.00 9.37 O ATOM 1047 CB SER A 175 1.721 14.116 39.124 1.00 8.49 C ATOM 1048 OG SER A 175 1.280 13.731 40.415 1.00 9.90 O ATOM 0 H SER A 175 3.868 13.240 39.969 1.00 8.28 H new ATOM 0 HA SER A 175 3.311 15.170 38.326 1.00 9.30 H new ATOM 0 HB2 SER A 175 1.049 14.672 38.699 1.00 8.49 H new ATOM 0 HB3 SER A 175 1.833 13.330 38.567 1.00 8.49 H new ATOM 0 HG SER A 175 0.737 13.093 40.347 1.00 9.90 H new ATOM 1049 N ASP A 176 3.027 15.965 41.407 1.00 8.92 N ATOM 1050 CA ASP A 176 2.871 17.100 42.314 1.00 9.19 C ATOM 1051 C ASP A 176 4.001 18.129 42.157 1.00 8.71 C ATOM 1052 O ASP A 176 3.796 19.311 42.434 1.00 8.79 O ATOM 1053 CB ASP A 176 2.703 16.646 43.769 1.00 9.15 C ATOM 1054 CG ASP A 176 3.909 15.912 44.295 1.00 9.33 C ATOM 1055 OD1 ASP A 176 4.167 14.788 43.826 1.00 11.16 O ATOM 1056 OD2 ASP A 176 4.601 16.456 45.176 1.00 10.76 O ATOM 0 H ASP A 176 3.226 15.220 41.787 1.00 8.92 H new ATOM 0 HA ASP A 176 2.051 17.551 42.061 1.00 9.19 H new ATOM 0 HB2 ASP A 176 2.532 17.421 44.327 1.00 9.15 H new ATOM 0 HB3 ASP A 176 1.925 16.071 43.836 1.00 9.15 H new ATOM 1057 N GLU A 177 5.182 17.681 41.722 1.00 8.15 N ATOM 1058 CA GLU A 177 6.298 18.596 41.480 1.00 9.54 C ATOM 1059 C GLU A 177 5.920 19.453 40.278 1.00 8.80 C ATOM 1060 O GLU A 177 6.077 20.670 40.303 1.00 8.78 O ATOM 1061 CB GLU A 177 7.575 17.846 41.123 1.00 12.67 C ATOM 1062 CG GLU A 177 8.294 17.170 42.252 1.00 17.42 C ATOM 1063 CD GLU A 177 9.501 16.426 41.733 1.00 19.82 C ATOM 1064 OE1 GLU A 177 10.573 17.047 41.567 1.00 22.46 O ATOM 1065 OE2 GLU A 177 9.362 15.233 41.424 1.00 21.38 O ATOM 0 H GLU A 177 5.356 16.854 41.562 1.00 8.15 H new ATOM 0 HA GLU A 177 6.459 19.116 42.283 1.00 9.54 H new ATOM 0 HB2 GLU A 177 7.357 17.175 40.458 1.00 12.67 H new ATOM 0 HB3 GLU A 177 8.187 18.471 40.705 1.00 12.67 H new ATOM 0 HG2 GLU A 177 8.570 17.829 42.909 1.00 17.42 H new ATOM 0 HG3 GLU A 177 7.695 16.554 42.702 1.00 17.42 H new ATOM 1066 N ARG A 178 5.441 18.807 39.213 1.00 8.97 N ATOM 1067 CA ARG A 178 5.031 19.545 38.022 1.00 8.63 C ATOM 1068 C ARG A 178 3.925 20.523 38.400 1.00 8.14 C ATOM 1069 O ARG A 178 3.950 21.672 37.984 1.00 8.97 O ATOM 1070 CB ARG A 178 4.536 18.613 36.922 1.00 8.73 C ATOM 1071 CG ARG A 178 4.247 19.348 35.609 1.00 11.51 C ATOM 1072 CD ARG A 178 3.229 18.585 34.784 1.00 14.44 C ATOM 1073 NE ARG A 178 2.020 18.432 35.579 1.00 19.65 N ATOM 1074 CZ ARG A 178 1.264 17.343 35.641 1.00 21.69 C ATOM 1075 NH1 ARG A 178 1.558 16.265 34.915 1.00 20.75 N ATOM 1076 NH2 ARG A 178 0.294 17.292 36.555 1.00 21.50 N ATOM 0 H ARG A 178 5.347 17.954 39.162 1.00 8.97 H new ATOM 0 HA ARG A 178 5.803 20.022 37.679 1.00 8.63 H new ATOM 0 HB2 ARG A 178 5.201 17.925 36.763 1.00 8.73 H new ATOM 0 HB3 ARG A 178 3.730 18.165 37.222 1.00 8.73 H new ATOM 0 HG2 ARG A 178 3.915 20.240 35.798 1.00 11.51 H new ATOM 0 HG3 ARG A 178 5.068 19.452 35.103 1.00 11.51 H new ATOM 0 HD2 ARG A 178 3.035 19.061 33.962 1.00 14.44 H new ATOM 0 HD3 ARG A 178 3.580 17.717 34.532 1.00 14.44 H new ATOM 0 HE ARG A 178 1.773 19.107 36.051 1.00 19.65 H new ATOM 0 HH11 ARG A 178 2.245 16.269 34.398 1.00 20.75 H new ATOM 0 HH12 ARG A 178 1.061 15.565 34.964 1.00 20.75 H new ATOM 0 HH21 ARG A 178 0.170 17.956 37.088 1.00 21.50 H new ATOM 0 HH22 ARG A 178 -0.207 16.595 36.612 1.00 21.50 H new ATOM 1077 N LYS A 179 2.976 20.074 39.221 1.00 8.73 N ATOM 1078 CA LYS A 179 1.860 20.924 39.663 1.00 9.19 C ATOM 1079 C LYS A 179 2.338 22.185 40.389 1.00 9.08 C ATOM 1080 O LYS A 179 1.822 23.275 40.149 1.00 9.03 O ATOM 1081 CB LYS A 179 0.918 20.132 40.567 1.00 8.89 C ATOM 1082 CG LYS A 179 -0.360 20.858 40.956 1.00 11.12 C ATOM 1083 CD LYS A 179 -1.281 19.859 41.616 1.00 14.11 C ATOM 1084 CE LYS A 179 -2.591 20.440 42.001 1.00 16.78 C ATOM 1085 NZ LYS A 179 -3.355 19.333 42.638 1.00 18.70 N ATOM 0 H LYS A 179 2.957 19.275 39.537 1.00 8.73 H new ATOM 0 HA LYS A 179 1.387 21.209 38.865 1.00 9.19 H new ATOM 0 HB2 LYS A 179 0.681 19.305 40.119 1.00 8.89 H new ATOM 0 HB3 LYS A 179 1.395 19.890 41.376 1.00 8.89 H new ATOM 0 HG2 LYS A 179 -0.164 21.590 41.562 1.00 11.12 H new ATOM 0 HG3 LYS A 179 -0.783 21.244 40.173 1.00 11.12 H new ATOM 0 HD2 LYS A 179 -1.429 19.115 41.011 1.00 14.11 H new ATOM 0 HD3 LYS A 179 -0.847 19.501 42.406 1.00 14.11 H new ATOM 0 HE2 LYS A 179 -2.476 21.182 42.616 1.00 16.78 H new ATOM 0 HE3 LYS A 179 -3.060 20.785 41.225 1.00 16.78 H new ATOM 0 HZ1 LYS A 179 -4.018 19.672 43.126 1.00 18.70 H new ATOM 0 HZ2 LYS A 179 -3.693 18.804 42.007 1.00 18.70 H new ATOM 0 HZ3 LYS A 179 -2.812 18.861 43.162 1.00 18.70 H new ATOM 1086 N ARG A 180 3.335 22.031 41.261 1.00 8.46 N ATOM 1087 CA ARG A 180 3.889 23.167 42.003 1.00 8.58 C ATOM 1088 C ARG A 180 4.628 24.111 41.045 1.00 8.47 C ATOM 1089 O ARG A 180 4.679 25.325 41.269 1.00 8.36 O ATOM 1090 CB ARG A 180 4.840 22.667 43.098 1.00 9.11 C ATOM 1091 CG ARG A 180 5.394 23.751 44.009 1.00 8.76 C ATOM 1092 CD ARG A 180 6.322 23.151 45.055 1.00 8.62 C ATOM 1093 NE ARG A 180 7.501 22.507 44.467 1.00 9.28 N ATOM 1094 CZ ARG A 180 8.511 21.991 45.170 1.00 8.81 C ATOM 1095 NH1 ARG A 180 8.496 22.026 46.499 1.00 7.66 N ATOM 1096 NH2 ARG A 180 9.567 21.492 44.543 1.00 8.95 N ATOM 0 H ARG A 180 3.706 21.276 41.438 1.00 8.46 H new ATOM 0 HA ARG A 180 3.163 23.655 42.421 1.00 8.58 H new ATOM 0 HB2 ARG A 180 4.372 22.014 43.642 1.00 9.11 H new ATOM 0 HB3 ARG A 180 5.582 22.206 42.677 1.00 9.11 H new ATOM 0 HG2 ARG A 180 5.875 24.408 43.482 1.00 8.76 H new ATOM 0 HG3 ARG A 180 4.664 24.217 44.446 1.00 8.76 H new ATOM 0 HD2 ARG A 180 6.610 23.849 45.664 1.00 8.62 H new ATOM 0 HD3 ARG A 180 5.832 22.500 45.581 1.00 8.62 H new ATOM 0 HE ARG A 180 7.545 22.459 43.609 1.00 9.28 H new ATOM 0 HH11 ARG A 180 7.832 22.383 46.912 1.00 7.66 H new ATOM 0 HH12 ARG A 180 9.151 21.691 46.945 1.00 7.66 H new ATOM 0 HH21 ARG A 180 9.601 21.501 43.684 1.00 8.95 H new ATOM 0 HH22 ARG A 180 10.218 21.159 44.996 1.00 8.95 H new ATOM 1097 N HIS A 181 5.170 23.543 39.968 1.00 7.87 N ATOM 1098 CA HIS A 181 5.902 24.307 38.958 1.00 7.70 C ATOM 1099 C HIS A 181 5.046 25.118 37.975 1.00 7.25 C ATOM 1100 O HIS A 181 5.340 26.284 37.715 1.00 7.49 O ATOM 1101 CB HIS A 181 6.833 23.374 38.157 1.00 7.48 C ATOM 1102 CG HIS A 181 7.357 23.980 36.886 1.00 7.16 C ATOM 1103 ND1 HIS A 181 8.538 24.687 36.827 1.00 6.79 N ATOM 1104 CD2 HIS A 181 6.840 24.014 35.634 1.00 7.86 C ATOM 1105 CE1 HIS A 181 8.725 25.135 35.599 1.00 8.50 C ATOM 1106 NE2 HIS A 181 7.708 24.741 34.855 1.00 8.49 N ATOM 0 H HIS A 181 5.123 22.700 39.802 1.00 7.87 H new ATOM 0 HA HIS A 181 6.399 24.963 39.472 1.00 7.70 H new ATOM 0 HB2 HIS A 181 7.583 23.122 38.718 1.00 7.48 H new ATOM 0 HB3 HIS A 181 6.353 22.559 37.942 1.00 7.48 H new ATOM 0 HD1 HIS A 181 9.072 24.817 37.489 1.00 6.79 H new ATOM 0 HD2 HIS A 181 6.046 23.619 35.354 1.00 7.86 H new ATOM 0 HE1 HIS A 181 9.449 25.641 35.308 1.00 8.50 H new ATOM 1107 N THR A 182 4.026 24.491 37.395 1.00 7.87 N ATOM 1108 CA THR A 182 3.186 25.162 36.399 1.00 8.27 C ATOM 1109 C THR A 182 2.707 26.560 36.793 1.00 9.63 C ATOM 1110 O THR A 182 2.696 27.477 35.957 1.00 9.76 O ATOM 1111 CB THR A 182 1.972 24.293 36.011 1.00 7.88 C ATOM 1112 OG1 THR A 182 2.434 22.990 35.636 1.00 8.16 O ATOM 1113 CG2 THR A 182 1.222 24.904 34.821 1.00 7.79 C ATOM 0 H THR A 182 3.802 23.678 37.562 1.00 7.87 H new ATOM 0 HA THR A 182 3.773 25.281 35.636 1.00 8.27 H new ATOM 0 HB THR A 182 1.372 24.243 36.771 1.00 7.88 H new ATOM 0 HG1 THR A 182 2.723 22.589 36.315 1.00 8.16 H new ATOM 0 HG21 THR A 182 0.464 24.343 34.594 1.00 7.79 H new ATOM 0 HG22 THR A 182 0.908 25.791 35.057 1.00 7.79 H new ATOM 0 HG23 THR A 182 1.819 24.965 34.059 1.00 7.79 H new ATOM 1114 N LYS A 183 2.330 26.727 38.062 1.00 9.38 N ATOM 1115 CA LYS A 183 1.844 28.018 38.540 1.00 9.82 C ATOM 1116 C LYS A 183 2.858 29.165 38.473 1.00 9.75 C ATOM 1117 O LYS A 183 2.474 30.336 38.561 1.00 9.69 O ATOM 1118 CB LYS A 183 1.247 27.902 39.952 1.00 9.13 C ATOM 1119 CG LYS A 183 2.182 27.379 41.030 1.00 10.79 C ATOM 1120 CD LYS A 183 1.566 27.541 42.425 1.00 12.23 C ATOM 1121 CE LYS A 183 2.383 26.833 43.506 1.00 14.56 C ATOM 1122 NZ LYS A 183 3.823 27.248 43.490 1.00 14.20 N ATOM 0 H LYS A 183 2.349 26.107 38.658 1.00 9.38 H new ATOM 0 HA LYS A 183 1.147 28.261 37.911 1.00 9.82 H new ATOM 0 HB2 LYS A 183 0.928 28.777 40.222 1.00 9.13 H new ATOM 0 HB3 LYS A 183 0.473 27.319 39.910 1.00 9.13 H new ATOM 0 HG2 LYS A 183 2.377 26.443 40.866 1.00 10.79 H new ATOM 0 HG3 LYS A 183 3.026 27.856 40.989 1.00 10.79 H new ATOM 0 HD2 LYS A 183 1.499 28.485 42.639 1.00 12.23 H new ATOM 0 HD3 LYS A 183 0.663 27.186 42.421 1.00 12.23 H new ATOM 0 HE2 LYS A 183 2.002 27.027 44.377 1.00 14.56 H new ATOM 0 HE3 LYS A 183 2.323 25.873 43.378 1.00 14.56 H new ATOM 0 HZ1 LYS A 183 4.180 27.113 44.294 1.00 14.20 H new ATOM 0 HZ2 LYS A 183 4.264 26.767 42.885 1.00 14.20 H new ATOM 0 HZ3 LYS A 183 3.881 28.111 43.281 1.00 14.20 H new ATOM 1123 N ILE A 184 4.143 28.859 38.293 1.00 9.30 N ATOM 1124 CA ILE A 184 5.120 29.938 38.217 1.00 9.68 C ATOM 1125 C ILE A 184 4.976 30.711 36.902 1.00 10.33 C ATOM 1126 O ILE A 184 5.474 31.833 36.775 1.00 10.70 O ATOM 1127 CB ILE A 184 6.589 29.449 38.405 1.00 10.63 C ATOM 1128 CG1 ILE A 184 7.103 28.721 37.154 1.00 9.51 C ATOM 1129 CG2 ILE A 184 6.704 28.602 39.671 1.00 9.28 C ATOM 1130 CD1 ILE A 184 8.569 28.357 37.240 1.00 10.21 C ATOM 0 H ILE A 184 4.459 28.063 38.215 1.00 9.30 H new ATOM 0 HA ILE A 184 4.928 30.532 38.959 1.00 9.68 H new ATOM 0 HB ILE A 184 7.164 30.222 38.520 1.00 10.63 H new ATOM 0 HG12 ILE A 184 6.582 27.914 37.019 1.00 9.51 H new ATOM 0 HG13 ILE A 184 6.960 29.284 36.377 1.00 9.51 H new ATOM 0 HG21 ILE A 184 7.621 28.303 39.779 1.00 9.28 H new ATOM 0 HG22 ILE A 184 6.445 29.133 40.440 1.00 9.28 H new ATOM 0 HG23 ILE A 184 6.119 27.831 39.599 1.00 9.28 H new ATOM 0 HD11 ILE A 184 8.838 27.902 36.427 1.00 10.21 H new ATOM 0 HD12 ILE A 184 9.097 29.163 37.348 1.00 10.21 H new ATOM 0 HD13 ILE A 184 8.713 27.772 38.000 1.00 10.21 H new ATOM 1131 N HIS A 185 4.244 30.128 35.951 1.00 9.90 N ATOM 1132 CA HIS A 185 4.015 30.745 34.646 1.00 10.83 C ATOM 1133 C HIS A 185 2.871 31.739 34.669 1.00 12.81 C ATOM 1134 O HIS A 185 2.540 32.364 33.649 1.00 14.18 O ATOM 1135 CB HIS A 185 3.760 29.682 33.579 1.00 10.59 C ATOM 1136 CG HIS A 185 4.934 28.783 33.332 1.00 9.80 C ATOM 1137 ND1 HIS A 185 6.144 29.244 32.853 1.00 9.98 N ATOM 1138 CD2 HIS A 185 5.081 27.445 33.485 1.00 8.86 C ATOM 1139 CE1 HIS A 185 6.981 28.232 32.721 1.00 9.37 C ATOM 1140 NE2 HIS A 185 6.360 27.127 33.097 1.00 7.87 N ATOM 0 H HIS A 185 3.866 29.361 36.046 1.00 9.90 H new ATOM 0 HA HIS A 185 4.823 31.233 34.425 1.00 10.83 H new ATOM 0 HB2 HIS A 185 3.000 29.142 33.847 1.00 10.59 H new ATOM 0 HB3 HIS A 185 3.518 30.120 32.748 1.00 10.59 H new ATOM 0 HD1 HIS A 185 6.325 30.064 32.669 1.00 9.98 H new ATOM 0 HD2 HIS A 185 4.436 26.852 33.795 1.00 8.86 H new ATOM 0 HE1 HIS A 185 7.858 28.287 32.416 1.00 9.37 H new ATOM 1141 N LEU A 186 2.204 31.863 35.822 1.00 14.18 N ATOM 1142 CA LEU A 186 1.118 32.805 35.975 1.00 16.07 C ATOM 1143 C LEU A 186 1.781 34.197 35.984 1.00 19.42 C ATOM 1144 O LEU A 186 2.986 34.324 36.185 1.00 19.82 O ATOM 1145 CB LEU A 186 0.298 32.540 37.253 1.00 13.72 C ATOM 1146 CG LEU A 186 -0.491 31.216 37.280 1.00 13.20 C ATOM 1147 CD1 LEU A 186 -1.275 31.180 38.579 1.00 13.82 C ATOM 1148 CD2 LEU A 186 -1.435 31.077 36.073 1.00 13.14 C ATOM 0 H LEU A 186 2.375 31.401 36.527 1.00 14.18 H new ATOM 0 HA LEU A 186 0.475 32.726 35.253 1.00 16.07 H new ATOM 0 HB2 LEU A 186 0.901 32.553 38.013 1.00 13.72 H new ATOM 0 HB3 LEU A 186 -0.327 33.272 37.374 1.00 13.72 H new ATOM 0 HG LEU A 186 0.128 30.471 37.226 1.00 13.20 H new ATOM 0 HD11 LEU A 186 -1.784 30.356 38.627 1.00 13.82 H new ATOM 0 HD12 LEU A 186 -0.661 31.224 39.329 1.00 13.82 H new ATOM 0 HD13 LEU A 186 -1.881 31.937 38.612 1.00 13.82 H new ATOM 0 HD21 LEU A 186 -1.910 30.233 36.129 1.00 13.14 H new ATOM 0 HD22 LEU A 186 -2.073 31.808 36.075 1.00 13.14 H new ATOM 0 HD23 LEU A 186 -0.918 31.102 35.253 1.00 13.14 H new ATOM 1149 N ARG A 187 0.942 35.207 35.868 1.00 21.79 N ATOM 1150 CA ARG A 187 1.477 36.566 35.760 1.00 25.14 C ATOM 1151 C ARG A 187 2.419 37.024 36.879 1.00 26.02 C ATOM 1152 O ARG A 187 2.025 37.284 38.028 1.00 28.87 O ATOM 1153 CB ARG A 187 0.384 37.610 35.442 1.00 27.37 C ATOM 1154 CG ARG A 187 -0.370 38.038 36.647 1.00 30.94 C ATOM 1155 CD ARG A 187 -1.445 39.035 36.227 1.00 34.54 C ATOM 1156 NE ARG A 187 -2.058 39.780 37.334 1.00 38.62 N ATOM 1157 CZ ARG A 187 -2.172 39.349 38.593 1.00 40.41 C ATOM 1158 NH1 ARG A 187 -1.716 38.156 38.951 1.00 41.67 N ATOM 1159 NH2 ARG A 187 -2.751 40.114 39.514 1.00 42.42 N ATOM 0 H ARG A 187 0.085 35.142 35.849 1.00 21.79 H new ATOM 0 HA ARG A 187 2.066 36.506 34.992 1.00 25.14 H new ATOM 0 HB2 ARG A 187 0.794 38.386 35.030 1.00 27.37 H new ATOM 0 HB3 ARG A 187 -0.234 37.238 34.794 1.00 27.37 H new ATOM 0 HG2 ARG A 187 -0.775 37.270 37.080 1.00 30.94 H new ATOM 0 HG3 ARG A 187 0.230 38.443 37.292 1.00 30.94 H new ATOM 0 HD2 ARG A 187 -1.056 39.668 35.604 1.00 34.54 H new ATOM 0 HD3 ARG A 187 -2.142 38.558 35.749 1.00 34.54 H new ATOM 0 HE ARG A 187 -2.371 40.561 37.156 1.00 38.62 H new ATOM 0 HH11 ARG A 187 -1.340 37.647 38.369 1.00 41.67 H new ATOM 0 HH12 ARG A 187 -1.796 37.892 39.765 1.00 41.67 H new ATOM 0 HH21 ARG A 187 -3.054 40.890 39.300 1.00 42.42 H new ATOM 0 HH22 ARG A 187 -2.822 39.833 40.324 1.00 42.42 H new TER 1160 ARG A 187 HETATM 1161 ZN ZN A 201 -0.714 6.897 65.793 1.00 15.85 ZN HETATM 1162 ZN ZN A 202 17.599 4.257 46.425 1.00 12.18 ZN HETATM 1163 ZN ZN A 203 7.000 25.288 33.011 1.00 10.68 ZN HETATM 1164 O HOH B 301 -9.327 0.424 37.121 1.00 19.02 O HETATM 1165 O HOH B 302 -10.381 2.951 36.133 1.00 42.57 O HETATM 1166 O HOH B 303 -13.371 4.416 36.955 1.00 38.04 O HETATM 1167 O HOH B 304 -8.410 5.987 40.844 1.00 33.23 O HETATM 1168 O HOH B 305 -7.350 3.431 41.845 1.00 18.03 O HETATM 1169 O HOH B 308 -8.297 7.241 45.449 1.00 13.23 O HETATM 1170 O HOH B 309 -9.245 9.740 45.862 1.00 19.80 O HETATM 1171 O HOH B 310 -8.067 11.112 48.159 1.00 15.33 O HETATM 1172 O HOH B 313 -4.853 13.843 52.862 1.00 15.38 O HETATM 1173 O HOH B 314 -2.561 14.611 54.693 1.00 27.62 O HETATM 1174 O HOH B 315 0.023 14.507 55.598 1.00 23.24 O HETATM 1175 O HOH B 329 16.191 15.253 50.031 1.00 26.67 O HETATM 1176 O HOH B 330 13.618 14.977 50.485 1.00 17.22 O HETATM 1177 O HOH B 331 16.382 17.183 47.999 1.00 19.45 O HETATM 1178 O HOH B 332 18.636 17.344 46.163 1.00 38.43 O HETATM 1179 O HOH B 333 19.465 14.815 45.193 1.00 37.97 O HETATM 1180 O HOH B 334 17.408 12.980 49.622 1.00 23.82 O HETATM 1181 O HOH B 335 16.734 10.790 47.948 1.00 16.34 O HETATM 1182 O HOH B 344 13.232 6.119 54.254 1.00 13.45 O HETATM 1183 O HOH B 346 8.686 6.477 57.292 1.00 12.97 O HETATM 1184 O HOH B 347 10.834 7.915 58.122 1.00 14.68 O HETATM 1185 O HOH B 348 9.345 10.182 59.279 1.00 30.81 O HETATM 1186 O HOH B 349 7.108 8.496 60.086 1.00 19.04 O HETATM 1187 O HOH B 350 5.775 10.673 61.202 1.00 19.16 O HETATM 1188 O HOH B 351 3.382 11.380 62.474 1.00 34.38 O HETATM 1189 O HOH B 352 0.586 10.735 62.502 1.00 23.40 O HETATM 1190 O HOH B 353 -0.406 13.727 60.389 1.00 31.67 O HETATM 1191 O HOH B 354 -6.442 10.309 60.107 1.00 12.62 O HETATM 1192 O HOH B 407 4.457 11.464 46.535 1.00 12.30 O HETATM 1193 O HOH B 440 -9.654 2.836 50.204 1.00 26.60 O HETATM 1194 O HOH B 441 -11.736 0.255 49.287 1.00 19.96 O HETATM 1195 O HOH B 452 -11.804 9.902 56.201 1.00 10.16 O HETATM 1196 O HOH B 453 -9.708 8.671 57.639 1.00 11.96 O HETATM 1197 O HOH B 457 -0.728 7.352 57.108 1.00 13.62 O HETATM 1198 O HOH B 460 5.320 4.925 58.365 1.00 12.28 O HETATM 1199 O HOH B 463 12.969 11.525 56.853 1.00 19.50 O HETATM 1200 O HOH B 466 10.072 14.518 54.802 1.00 26.52 O HETATM 1201 O HOH B 470 6.278 18.893 45.002 1.00 10.45 O HETATM 1202 O HOH B 472 10.453 21.566 41.539 1.00 12.81 O HETATM 1203 O HOH B 474 13.271 17.860 37.956 1.00 21.09 O HETATM 1204 O HOH B 496 7.681 26.544 45.512 1.00 14.23 O HETATM 1205 O HOH B 498 7.914 26.047 48.507 1.00 26.24 O HETATM 1206 O HOH B 501 14.025 14.044 39.911 1.00 30.68 O HETATM 1207 O HOH B 537 9.228 7.949 51.645 1.00 6.43 O HETATM 1208 O HOH B 543 -7.185 14.703 57.168 1.00 33.74 O HETATM 1209 O HOH B 544 -12.268 10.336 45.758 1.00 32.20 O HETATM 1210 O HOH B 545 -14.544 1.777 43.001 1.00 18.91 O HETATM 1211 O HOH B 546 -13.667 1.239 45.471 1.00 24.76 O HETATM 1212 O HOH B 547 -11.605 -3.055 39.185 1.00 7.86 O HETATM 1213 O HOH B 548 -6.124 -0.647 41.654 1.00 19.78 O HETATM 1214 O HOH B 551 -0.510 12.789 64.269 1.00 39.93 O HETATM 1215 O HOH C 306 -5.818 5.695 43.055 1.00 24.25 O HETATM 1216 O HOH C 307 -6.597 8.191 43.536 1.00 21.13 O HETATM 1217 O HOH C 311 -6.474 13.392 46.975 1.00 16.53 O HETATM 1218 O HOH C 312 -3.855 16.000 51.234 1.00 14.46 O HETATM 1219 O HOH C 316 0.727 16.728 53.979 1.00 17.95 O HETATM 1220 O HOH C 317 -3.721 22.403 54.745 1.00 37.76 O HETATM 1221 O HOH C 318 2.025 23.128 50.500 1.00 38.00 O HETATM 1222 O HOH C 319 5.552 23.087 51.242 1.00 24.18 O HETATM 1223 O HOH C 320 8.103 24.548 50.972 1.00 23.62 O HETATM 1224 O HOH C 321 8.466 25.905 53.278 1.00 26.34 O HETATM 1225 O HOH C 322 8.066 24.151 55.301 1.00 23.53 O HETATM 1226 O HOH C 323 11.114 24.444 56.317 1.00 19.97 O HETATM 1227 O HOH C 324 16.840 22.072 58.585 1.00 43.55 O HETATM 1228 O HOH C 325 16.230 19.479 59.153 1.00 30.56 O HETATM 1229 O HOH C 326 17.380 23.254 60.918 1.00 33.23 O HETATM 1230 O HOH C 327 14.426 17.476 53.581 1.00 20.51 O HETATM 1231 O HOH C 328 17.107 17.238 51.936 1.00 36.06 O HETATM 1232 O HOH C 366 -5.719 -3.733 57.489 1.00 16.71 O HETATM 1233 O HOH C 367 -2.147 -3.766 55.467 1.00 18.06 O HETATM 1234 O HOH C 371 -0.039 3.441 50.577 1.00 10.14 O HETATM 1235 O HOH C 372 1.870 2.414 48.731 1.00 9.40 O HETATM 1236 O HOH C 374 1.700 -2.525 50.543 1.00 13.87 O HETATM 1237 O HOH C 375 -0.154 -2.237 52.449 1.00 11.26 O HETATM 1238 O HOH C 376 2.546 -5.123 51.683 1.00 22.47 O HETATM 1239 O HOH C 377 3.806 -6.142 49.351 1.00 20.19 O HETATM 1240 O HOH C 378 2.899 -9.046 49.438 1.00 32.97 O HETATM 1241 O HOH C 379 0.990 -8.723 44.887 1.00 30.73 O HETATM 1242 O HOH C 380 3.238 -5.685 42.609 1.00 32.54 O HETATM 1243 O HOH C 381 4.421 -3.268 43.419 1.00 26.48 O HETATM 1244 O HOH C 382 6.612 -3.170 41.612 1.00 30.18 O HETATM 1245 O HOH C 383 5.969 -0.581 42.295 1.00 19.01 O HETATM 1246 O HOH C 386 5.197 -3.612 46.214 1.00 18.78 O HETATM 1247 O HOH C 387 8.363 -3.629 43.774 1.00 35.63 O HETATM 1248 O HOH C 396 4.506 4.767 38.664 1.00 38.91 O HETATM 1249 O HOH C 397 4.263 2.376 40.003 1.00 20.81 O HETATM 1250 O HOH C 400 2.981 6.810 41.260 1.00 13.34 O HETATM 1251 O HOH C 403 1.701 11.150 42.582 1.00 13.17 O HETATM 1252 O HOH C 404 1.458 8.428 43.107 1.00 11.54 O HETATM 1253 O HOH C 411 0.515 18.363 45.590 1.00 15.83 O HETATM 1254 O HOH C 414 -0.980 20.924 46.811 1.00 36.10 O HETATM 1255 O HOH C 415 -4.808 20.898 44.267 1.00 23.15 O HETATM 1256 O HOH C 416 -7.783 19.292 43.757 1.00 34.06 O HETATM 1257 O HOH C 417 -7.740 15.981 39.961 1.00 32.48 O HETATM 1258 O HOH C 418 -6.153 14.120 38.718 1.00 24.59 O HETATM 1259 O HOH C 419 -6.343 10.972 37.696 1.00 35.52 O HETATM 1260 O HOH C 420 -3.692 10.510 37.248 1.00 19.62 O HETATM 1261 O HOH C 421 -5.878 8.381 40.674 1.00 36.64 O HETATM 1262 O HOH C 422 -3.603 4.545 40.173 1.00 19.32 O HETATM 1263 O HOH C 423 -3.972 3.439 42.604 1.00 25.76 O HETATM 1264 O HOH C 424 -3.579 0.674 42.034 1.00 21.72 O HETATM 1265 O HOH C 425 -3.272 1.073 39.443 1.00 30.24 O HETATM 1266 O HOH C 426 -2.303 3.191 37.808 1.00 35.13 O HETATM 1267 O HOH C 427 0.738 1.410 37.071 1.00 27.44 O HETATM 1268 O HOH C 428 3.068 0.281 38.304 1.00 21.84 O HETATM 1269 O HOH C 429 0.031 -2.567 39.321 1.00 34.39 O HETATM 1270 O HOH C 430 -2.410 -1.766 41.468 1.00 34.24 O HETATM 1271 O HOH C 431 -3.703 -3.893 42.747 1.00 27.98 O HETATM 1272 O HOH C 432 -3.129 -5.425 44.863 1.00 26.66 O HETATM 1273 O HOH C 433 -5.335 -7.096 45.581 1.00 23.96 O HETATM 1274 O HOH C 434 -4.423 -7.575 48.071 1.00 30.49 O HETATM 1275 O HOH C 435 -4.964 -2.509 52.897 1.00 14.06 O HETATM 1276 O HOH C 436 -6.508 -0.548 51.705 1.00 15.13 O HETATM 1277 O HOH C 437 -3.976 0.762 51.656 1.00 10.56 O HETATM 1278 O HOH C 442 -11.024 -1.540 51.306 1.00 23.84 O HETATM 1279 O HOH C 467 10.769 17.364 54.919 1.00 28.59 O HETATM 1280 O HOH C 468 6.313 22.125 48.376 1.00 14.05 O HETATM 1281 O HOH C 469 4.329 20.201 46.640 1.00 18.03 O HETATM 1282 O HOH C 513 2.473 7.441 37.793 1.00 37.22 O HETATM 1283 O HOH C 517 1.603 -5.948 55.360 1.00 33.80 O HETATM 1284 O HOH C 549 -2.800 16.634 39.747 1.00 13.65 O HETATM 1285 O HOH C 552 0.403 -9.399 53.332 1.00 35.52 O HETATM 1286 O HOH A 336 17.588 8.803 49.801 1.00 22.74 O HETATM 1287 O HOH A 337 19.652 6.854 49.178 1.00 22.52 O HETATM 1288 O HOH A 338 20.590 8.558 47.025 1.00 25.88 O HETATM 1289 O HOH A 339 22.569 5.291 44.416 1.00 28.78 O HETATM 1290 O HOH A 340 23.999 2.856 44.857 1.00 33.49 O HETATM 1291 O HOH A 341 23.773 3.274 49.514 1.00 36.83 O HETATM 1292 O HOH A 342 20.955 3.100 52.405 1.00 24.39 O HETATM 1293 O HOH A 343 16.736 2.771 55.479 1.00 15.68 O HETATM 1294 O HOH A 345 9.615 5.721 54.794 1.00 9.75 O HETATM 1295 O HOH A 355 -7.623 12.119 63.290 1.00 21.07 O HETATM 1296 O HOH A 356 -6.459 8.382 68.612 1.00 17.49 O HETATM 1297 O HOH A 357 -6.286 7.102 70.974 1.00 31.94 O HETATM 1298 O HOH A 358 -3.765 6.786 70.949 1.00 15.54 O HETATM 1299 O HOH A 359 -3.788 8.885 72.669 1.00 33.82 O HETATM 1300 O HOH A 360 -8.931 9.550 69.484 1.00 29.26 O HETATM 1301 O HOH A 361 -10.828 2.305 67.725 1.00 25.39 O HETATM 1302 O HOH A 362 -8.040 1.111 67.708 1.00 25.64 O HETATM 1303 O HOH A 363 -6.470 -1.751 61.713 1.00 22.19 O HETATM 1304 O HOH A 364 -8.325 -4.897 60.588 1.00 41.25 O HETATM 1305 O HOH A 365 -8.399 -3.589 58.186 1.00 19.28 O HETATM 1306 O HOH A 368 -3.065 -1.023 55.143 1.00 12.53 O HETATM 1307 O HOH A 369 -1.639 0.034 53.004 1.00 10.05 O HETATM 1308 O HOH A 370 0.657 1.190 52.182 1.00 10.19 O HETATM 1309 O HOH A 373 2.657 0.144 50.455 1.00 7.76 O HETATM 1310 O HOH A 384 7.277 -0.004 44.768 1.00 10.56 O HETATM 1311 O HOH A 385 7.519 -2.120 46.526 1.00 19.69 O HETATM 1312 O HOH A 388 11.354 -2.008 43.719 1.00 35.78 O HETATM 1313 O HOH A 389 9.493 0.188 43.113 1.00 17.77 O HETATM 1314 O HOH A 390 10.022 1.464 40.604 1.00 18.78 O HETATM 1315 O HOH A 391 10.610 4.006 39.801 1.00 11.24 O HETATM 1316 O HOH A 392 8.625 4.433 37.787 1.00 11.60 O HETATM 1317 O HOH A 393 12.588 4.692 37.538 1.00 22.92 O HETATM 1318 O HOH A 394 6.454 6.049 34.791 1.00 21.58 O HETATM 1319 O HOH A 395 4.806 4.192 35.932 1.00 27.10 O HETATM 1320 O HOH A 398 4.227 2.650 42.744 1.00 10.75 O HETATM 1321 O HOH A 399 4.102 5.339 43.249 1.00 13.26 O HETATM 1322 O HOH A 401 4.094 8.883 39.638 1.00 14.69 O HETATM 1323 O HOH A 402 3.961 11.404 40.799 1.00 11.94 O HETATM 1324 O HOH A 405 2.206 8.468 46.030 1.00 10.46 O HETATM 1325 O HOH A 406 5.290 8.849 45.997 1.00 7.91 O HETATM 1326 O HOH A 408 2.634 12.678 44.732 1.00 10.95 O HETATM 1327 O HOH A 409 -0.233 15.991 41.450 1.00 16.17 O HETATM 1328 O HOH A 410 -1.257 17.076 43.668 1.00 13.46 O HETATM 1329 O HOH A 412 2.256 20.247 44.308 1.00 14.98 O HETATM 1330 O HOH A 413 1.338 22.836 44.470 1.00 15.13 O HETATM 1331 O HOH A 438 -4.055 3.002 53.475 1.00 10.24 O HETATM 1332 O HOH A 439 -8.171 2.081 52.489 1.00 26.70 O HETATM 1333 O HOH A 443 -10.321 0.162 53.577 1.00 28.20 O HETATM 1334 O HOH A 444 -10.359 -0.946 55.959 1.00 13.06 O HETATM 1335 O HOH A 445 -12.661 -0.148 57.709 1.00 15.02 O HETATM 1336 O HOH A 446 -13.775 -2.764 58.169 1.00 29.67 O HETATM 1337 O HOH A 447 -12.176 -3.050 60.792 1.00 22.59 O HETATM 1338 O HOH A 448 -10.415 -3.256 63.069 1.00 28.71 O HETATM 1339 O HOH A 449 -14.298 -3.167 63.130 1.00 44.98 O HETATM 1340 O HOH A 450 -16.177 4.455 59.046 1.00 25.52 O HETATM 1341 O HOH A 451 -15.878 8.086 59.618 1.00 35.50 O HETATM 1342 O HOH A 454 -9.527 6.059 56.853 1.00 12.31 O HETATM 1343 O HOH A 455 -6.812 7.842 55.322 1.00 18.61 O HETATM 1344 O HOH A 456 -2.956 5.922 56.540 1.00 8.47 O HETATM 1345 O HOH A 458 1.749 6.570 55.744 1.00 8.51 O HETATM 1346 O HOH A 459 3.097 4.344 56.731 1.00 13.16 O HETATM 1347 O HOH A 461 7.610 3.353 59.138 1.00 16.30 O HETATM 1348 O HOH A 462 8.457 6.776 61.772 1.00 25.95 O HETATM 1349 O HOH A 464 15.326 11.580 55.200 1.00 28.38 O HETATM 1350 O HOH A 465 16.856 12.070 52.361 1.00 27.66 O HETATM 1351 O HOH A 471 7.748 22.177 41.494 1.00 13.14 O HETATM 1352 O HOH A 473 12.030 19.341 41.543 1.00 16.56 O HETATM 1353 O HOH A 475 13.295 19.656 35.894 1.00 29.61 O HETATM 1354 O HOH A 476 13.266 18.867 31.529 1.00 18.63 O HETATM 1355 O HOH A 477 12.205 22.534 29.104 1.00 34.06 O HETATM 1356 O HOH A 478 9.614 18.077 27.649 1.00 13.32 O HETATM 1357 O HOH A 479 5.393 19.227 27.182 1.00 13.58 O HETATM 1358 O HOH A 480 3.215 18.718 28.947 1.00 9.52 O HETATM 1359 O HOH A 481 2.219 16.991 32.536 1.00 20.18 O HETATM 1360 O HOH A 482 0.000 19.517 33.450 0.50 22.35 O HETATM 1361 O HOH A 483 1.735 21.810 33.195 1.00 7.50 O HETATM 1362 O HOH A 484 0.556 24.847 26.434 1.00 15.38 O HETATM 1363 O HOH A 485 12.621 -0.110 39.435 1.00 27.41 O HETATM 1364 O HOH A 486 13.141 1.612 37.364 1.00 30.07 O HETATM 1365 O HOH A 487 11.281 1.120 35.425 1.00 25.50 O HETATM 1366 O HOH A 488 6.946 31.954 32.730 1.00 14.67 O HETATM 1367 O HOH A 489 1.612 34.688 32.432 1.00 11.08 O HETATM 1368 O HOH A 490 4.253 34.439 38.676 1.00 28.98 O HETATM 1369 O HOH A 491 2.625 31.554 40.784 1.00 22.77 O HETATM 1370 O HOH A 492 0.655 33.365 41.283 1.00 21.65 O HETATM 1371 O HOH A 493 3.876 29.940 42.879 1.00 21.09 O HETATM 1372 O HOH A 494 6.850 27.002 42.813 1.00 12.23 O HETATM 1373 O HOH A 495 8.250 25.067 41.375 1.00 11.83 O HETATM 1374 O HOH A 497 4.882 26.888 46.123 1.00 19.09 O HETATM 1375 O HOH A 499 11.732 26.290 35.252 1.00 23.27 O HETATM 1376 O HOH A 500 12.027 15.831 39.500 1.00 12.02 O HETATM 1377 O HOH A 502 14.219 11.829 38.290 1.00 15.52 O HETATM 1378 O HOH A 503 16.397 12.918 33.810 1.00 25.76 O HETATM 1379 O HOH A 504 18.759 11.171 33.561 1.00 35.14 O HETATM 1380 O HOH A 505 12.329 10.912 31.633 1.00 21.46 O HETATM 1381 O HOH A 506 8.751 12.914 30.094 1.00 27.00 O HETATM 1382 O HOH A 507 4.433 14.433 30.643 1.00 20.25 O HETATM 1383 O HOH A 508 2.371 14.425 28.910 1.00 22.19 O HETATM 1384 O HOH A 509 0.800 11.832 32.155 1.00 26.71 O HETATM 1385 O HOH A 510 3.355 11.011 32.448 1.00 16.62 O HETATM 1386 O HOH A 511 3.339 8.563 33.640 1.00 27.24 O HETATM 1387 O HOH A 512 4.635 7.823 36.144 1.00 21.95 O HETATM 1388 O HOH A 514 7.009 0.831 40.101 1.00 32.57 O HETATM 1389 O HOH A 515 2.901 1.146 44.720 1.00 9.66 O HETATM 1390 O HOH A 516 1.953 -2.061 47.830 1.00 10.49 O HETATM 1391 O HOH A 518 0.585 -3.580 56.381 1.00 20.44 O HETATM 1392 O HOH A 519 3.736 -2.184 61.403 1.00 19.93 O HETATM 1393 O HOH A 520 11.452 -2.316 58.878 1.00 24.07 O HETATM 1394 O HOH A 521 13.294 -2.023 56.822 1.00 41.53 O HETATM 1395 O HOH A 522 12.669 -2.882 53.659 1.00 23.84 O HETATM 1396 O HOH A 523 15.276 -6.292 51.243 1.00 26.21 O HETATM 1397 O HOH A 524 17.410 -4.537 47.761 1.00 27.09 O HETATM 1398 O HOH A 525 14.838 -4.213 46.843 1.00 20.46 O HETATM 1399 O HOH A 526 13.719 -4.837 44.146 1.00 26.37 O HETATM 1400 O HOH A 527 14.202 -1.504 44.316 1.00 21.22 O HETATM 1401 O HOH A 528 14.329 -0.987 41.323 1.00 24.80 O HETATM 1402 O HOH A 529 11.784 -3.573 46.754 1.00 33.91 O HETATM 1403 O HOH A 530 20.862 -3.928 43.216 1.00 17.34 O HETATM 1404 O HOH A 531 22.084 7.404 39.592 1.00 13.87 O HETATM 1405 O HOH A 532 21.419 8.451 42.433 1.00 20.62 O HETATM 1406 O HOH A 533 10.745 11.435 43.323 1.00 11.11 O HETATM 1407 O HOH A 534 11.583 14.015 42.921 1.00 9.87 O HETATM 1408 O HOH A 535 9.660 10.773 45.799 1.00 9.06 O HETATM 1409 O HOH A 536 10.160 8.284 48.958 1.00 8.79 O HETATM 1410 O HOH A 538 7.403 5.649 52.285 1.00 10.57 O HETATM 1411 O HOH A 539 1.368 10.635 66.481 1.00 35.42 O HETATM 1412 O HOH A 540 2.588 9.870 69.005 1.00 30.42 O HETATM 1413 O HOH A 541 4.834 7.087 71.985 1.00 42.52 O HETATM 1414 O HOH A 542 2.707 6.273 73.646 1.00 30.95 O HETATM 1415 O HOH A 550 -5.797 14.010 64.598 1.00 35.76 O HETATM 1416 O HOH A 553 25.797 2.880 51.343 1.00 36.17 O HETATM 1417 O HOH A 554 7.297 1.948 37.439 1.00 34.89 O HETATM 1418 O HOH A 555 14.677 -0.027 58.618 1.00 29.15 O CONECT 488 1161 CONECT 523 1161 CONECT 636 1161 CONECT 673 1161 CONECT 735 1162 CONECT 764 1162 CONECT 875 1162 CONECT 911 1162 CONECT 969 1163 CONECT 991 1163 CONECT 1106 1163 CONECT 1140 1163 CONECT 1161 488 523 636 673 CONECT 1162 735 764 875 911 CONECT 1163 969 991 1106 1140 END