USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER TRANSCRIPTION/DNA 10-DEC-97 1A1F TITLE DSNR (ZIF268 VARIANT) ZINC FINGER-DNA COMPLEX (GACC SITE) COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*AP*CP*C)-3'); COMPND 3 CHAIN: B; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: DNA (5'-D(*TP*GP*GP*TP*CP*CP*CP*AP*CP*GP*C)-3'); COMPND 7 CHAIN: C; COMPND 8 ENGINEERED: YES; COMPND 9 MOL_ID: 3; COMPND 0 MOLECULE: THREE-FINGER ZIF268 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: PDSNR KEYWDS COMPLEX (ZINC FINGER/DNA), 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 4 24-FEB-09 1A1F 1 VERSN REVDAT 3 28-JUN-02 1A1F 1 REMARK REVDAT 2 27-NOV-00 1A1F 5 REVDAT 1 10-JUN-98 1A1F 0 JRNL AUTH M.ELROD-ERICKSON,T.E.BENSON,C.O.PABO JRNL TITL HIGH-RESOLUTION STRUCTURES OF VARIANT ZIF268-DNA JRNL TITL 2 COMPLEXES: IMPLICATIONS FOR UNDERSTANDING ZINC JRNL TITL 3 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 REMARK 1 TITL 2 MODEL SYSTEM FOR UNDERSTANDING ZINC FINGER-DNA REMARK 1 TITL 3 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 REMARK 1 TITL 2 WITH NEW 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 REMARK 1 TITL 2 A 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. 2.10 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.8 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.10 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) (%) : 87.0 REMARK 3 NUMBER OF REFLECTIONS : 8173 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : BASED ON 1AAY TEST SET REMARK 3 R VALUE (WORKING SET) : 0.225 REMARK 3 FREE R VALUE : 0.270 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.900 REMARK 3 FREE R VALUE TEST SET COUNT : 893 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.009 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) : 2.10 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.20 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 76.60 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 807 REMARK 3 BIN R VALUE (WORKING SET) : 0.3590 REMARK 3 BIN FREE R VALUE : 0.4110 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 9.90 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 89 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.044 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 698 REMARK 3 NUCLEIC ACID ATOMS : 445 REMARK 3 HETEROGEN ATOMS : 3 REMARK 3 SOLVENT ATOMS : 88 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 36.40 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 16.16200 REMARK 3 B22 (A**2) : 20.53400 REMARK 3 B33 (A**2) : 4.33200 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) : 0.006 REMARK 3 BOND ANGLES (DEGREES) : 1.30 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 22.75 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.23 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) : 1.207 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 2.251 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 1.888 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 3.564 ; 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: RMS DEVIATIONS FROM IDEAL VALUES REMARK 3 (DNA) REMARK 4 REMARK 4 1A1F 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 : NOV-95 REMARK 200 TEMPERATURE (KELVIN) : 130 REMARK 200 PH : 7.5 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) : 1.5418 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 : 8185 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.100 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 (%) : 87.0 REMARK 200 DATA REDUNDANCY : 2.400 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.06400 REMARK 200 FOR THE DATA SET : 22.6000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.10 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.17 REMARK 200 COMPLETENESS FOR SHELL (%) : 76.0 REMARK 200 DATA REDUNDANCY IN SHELL : 1.80 REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.09300 REMARK 200 FOR SHELL : 10.900 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH 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 (%): 43.29 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.17 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 20% PEG 400, 200MM MGCL2, 100 MM REMARK 280 HEPES PH 7.5, 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 64.20000 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 64.20000 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 21.50000 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 27.95000 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 21.50000 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 27.95000 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 64.20000 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 21.50000 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 27.95000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 64.20000 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 21.50000 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 27.95000 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 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 ARG A 187 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: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 GLU A 110 122.00 -31.62 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 HIS A 125 NE2 109.4 REMARK 620 3 HIS A 129 NE2 107.1 89.7 REMARK 620 4 CYS A 112 SG 132.1 105.5 104.8 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 119.3 REMARK 620 3 HIS A 153 NE2 108.3 100.8 REMARK 620 4 HIS A 157 NE2 110.7 115.4 99.5 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 119.2 REMARK 620 3 HIS A 181 NE2 107.9 103.3 REMARK 620 4 HIS A 185 NE2 107.4 115.6 101.5 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 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 202 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 203 DBREF 1A1F A 102 190 UNP P08046 EGR1_MOUSE 308 396 DBREF 1A1F B 1 11 PDB 1A1F 1A1F 1 11 DBREF 1A1F C 51 61 PDB 1A1F 1A1F 51 61 SEQADV 1A1F ASP A 118 UNP P08046 ARG 324 VARIANT SEQADV 1A1F SER A 120 UNP P08046 ASP 326 VARIANT SEQADV 1A1F ASN A 121 UNP P08046 GLU 327 VARIANT SEQRES 1 B 11 DA DG DC DG DT DG DG DG DA DC DC SEQRES 1 C 11 DT DG DG DT 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 ASP SER SER ASN 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 *88(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 N PHE A 172 O PHE A 163 LINK ZN ZN A 201 SG CYS A 107 1555 1555 2.10 LINK ZN ZN A 201 NE2 HIS A 125 1555 1555 2.24 LINK ZN ZN A 201 NE2 HIS A 129 1555 1555 2.18 LINK ZN ZN A 202 SG CYS A 137 1555 1555 2.34 LINK ZN ZN A 202 SG CYS A 140 1555 1555 2.26 LINK ZN ZN A 202 NE2 HIS A 153 1555 1555 2.08 LINK ZN ZN A 202 NE2 HIS A 157 1555 1555 2.08 LINK ZN ZN A 203 SG CYS A 165 1555 1555 2.25 LINK ZN ZN A 203 SG CYS A 168 1555 1555 2.23 LINK ZN ZN A 203 NE2 HIS A 181 1555 1555 2.12 LINK ZN ZN A 203 NE2 HIS A 185 1555 1555 2.05 LINK ZN ZN A 201 SG CYS A 112 1555 1555 2.70 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 43.000 55.900 128.400 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 0.023256 0.000000 0.000000 0.00000 SCALE2 0.000000 0.017889 0.000000 0.00000 SCALE3 0.000000 0.000000 0.007788 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= 0.112 K(o=-0.5,f=-3.7!) USER MOD Set 1.2: B 5 DT C7 :methyl -30:sc= -0.61 (180deg=-0.278) USER MOD Set 2.1: A 136 GLN : amide:sc= -0.032 X(o=-0.76,f=-1.1) USER MOD Set 2.2: A 141 MET CE :methyl 177:sc= -0.732 (180deg=-0.762) USER MOD Set 3.1: A 120 SER OG : rot -170:sc= 1.25 USER MOD Set 3.2: C 51 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot -49:sc= 0.512 USER MOD Single : A 117 SER OG : rot -51:sc= -0.084 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 121 ASN : amide:sc= 0.945 K(o=0.94,f=-5.2!) USER MOD Single : A 123 THR OG1A: rot 180:sc= 0 USER MOD Single : A 123 THR OG1B: rot 34:sc= 0.447 USER MOD Single : A 130 THR OG1 : rot -168:sc= 0.654 USER MOD Single : A 132 GLN : amide:sc= 1.05 K(o=1.1,f=-3!) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= 1.04 K(o=1,f=0.024) USER MOD Single : A 145 SER OG : rot -15:sc= 0.563 USER MOD Single : A 147 SER OG : rot 134:sc= -1.02 USER MOD Single : A 151 THR OG1 : rot 63:sc= 0.974 USER MOD Single : A 152 THR OG1 : rot -6:sc= 1.01 USER MOD Single : A 156 THR OG1 : rot -68:sc= 1.32 USER MOD Single : A 158 THR OG1 : rot 180:sc= -0.029 USER MOD Single : A 161 LYS NZ :NH3+ 155:sc= 0.512 (180deg=0.263) USER MOD Single : A 171 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 175 SER OG : rot -71:sc= 0 USER MOD Single : A 179 LYS NZ :NH3+ -151:sc= -0.41 (180deg=-1.75!) USER MOD Single : A 182 THR OG1 : rot 77:sc= 1.69 USER MOD Single : A 183 LYS NZ :NH3+ -171:sc= 1.1 (180deg=0.86) USER MOD Single : B 1 DA O5' : rot 78:sc= 1.69 USER MOD Single : B 11 DC O3' : rot 29:sc= 0.841 USER MOD Single : C 51 DT O5' : rot 180:sc= 0 USER MOD Single : C 54 DT C7 :methyl 150:sc= -1.73! (180deg=-1.73!) USER MOD Single : C 61 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA B 1 12.630 25.479 39.440 1.00 35.16 O ATOM 2 C5' DA B 1 13.937 25.610 38.876 1.00 34.55 C ATOM 3 C4' DA B 1 14.887 24.556 39.393 1.00 33.52 C ATOM 4 O4' DA B 1 15.100 24.749 40.813 1.00 33.81 O ATOM 5 C3' DA B 1 14.387 23.120 39.235 1.00 35.39 C ATOM 6 O3' DA B 1 15.483 22.256 38.923 1.00 37.66 O ATOM 7 C2' DA B 1 13.819 22.795 40.604 1.00 34.69 C ATOM 8 C1' DA B 1 14.742 23.573 41.522 1.00 31.00 C ATOM 9 N9 DA B 1 14.136 23.979 42.789 1.00 28.11 N ATOM 10 C8 DA B 1 14.571 23.668 44.053 1.00 27.58 C ATOM 11 N7 DA B 1 13.823 24.162 45.006 1.00 27.87 N ATOM 12 C5 DA B 1 12.827 24.850 44.330 1.00 28.59 C ATOM 13 C6 DA B 1 11.720 25.593 44.773 1.00 29.32 C ATOM 14 N6 DA B 1 11.417 25.776 46.062 1.00 29.44 N ATOM 15 N1 DA B 1 10.922 26.154 43.837 1.00 28.00 N ATOM 16 C2 DA B 1 11.225 25.969 42.547 1.00 27.20 C ATOM 17 N3 DA B 1 12.236 25.291 42.006 1.00 29.00 N ATOM 18 C4 DA B 1 13.008 24.748 42.962 1.00 27.31 C ATOM 0 H5' DA B 1 14.290 26.490 39.081 1.00 34.55 H new ATOM 0 H5'' DA B 1 13.879 25.546 37.910 1.00 34.55 H new ATOM 0 H4' DA B 1 15.691 24.664 38.862 1.00 33.52 H new ATOM 0 H3' DA B 1 13.737 23.011 38.523 1.00 35.39 H new ATOM 0 H2' DA B 1 12.896 23.080 40.691 1.00 34.69 H new ATOM 0 H2'' DA B 1 13.841 21.843 40.789 1.00 34.69 H new ATOM 0 HO5' DA B 1 12.629 25.790 40.220 1.00 35.16 H new ATOM 0 H1' DA B 1 15.489 22.998 41.753 1.00 31.00 H new ATOM 0 H8 DA B 1 15.328 23.153 44.217 1.00 27.58 H new ATOM 0 H61 DA B 1 10.727 26.240 46.280 1.00 29.44 H new ATOM 0 H62 DA B 1 11.912 25.429 46.674 1.00 29.44 H new ATOM 0 H2 DA B 1 10.646 26.372 41.941 1.00 27.20 H new ATOM 19 P DG B 2 15.226 20.682 38.734 1.00 38.36 P ATOM 20 OP1 DG B 2 16.366 20.118 37.964 1.00 39.12 O ATOM 21 OP2 DG B 2 13.841 20.501 38.232 1.00 38.09 O ATOM 22 O5' DG B 2 15.303 20.113 40.220 1.00 38.15 O ATOM 23 C5' DG B 2 16.564 20.044 40.908 1.00 36.77 C ATOM 24 C4' DG B 2 16.468 19.107 42.089 1.00 34.80 C ATOM 25 O4' DG B 2 15.772 19.742 43.187 1.00 34.90 O ATOM 26 C3' DG B 2 15.724 17.801 41.812 1.00 34.56 C ATOM 27 O3' DG B 2 16.404 16.721 42.454 1.00 37.29 O ATOM 28 C2' DG B 2 14.356 18.037 42.428 1.00 33.51 C ATOM 29 C1' DG B 2 14.687 18.932 43.612 1.00 31.80 C ATOM 30 N9 DG B 2 13.611 19.821 44.041 1.00 27.15 N ATOM 31 C8 DG B 2 12.734 20.510 43.240 1.00 27.30 C ATOM 32 N7 DG B 2 11.901 21.254 43.916 1.00 25.98 N ATOM 33 C5 DG B 2 12.245 21.037 45.242 1.00 24.75 C ATOM 34 C6 DG B 2 11.694 21.577 46.434 1.00 25.43 C ATOM 35 O6 DG B 2 10.765 22.385 46.558 1.00 28.18 O ATOM 36 N1 DG B 2 12.343 21.088 47.565 1.00 25.22 N ATOM 37 C2 DG B 2 13.385 20.195 47.550 1.00 24.58 C ATOM 38 N2 DG B 2 13.880 19.840 48.746 1.00 24.09 N ATOM 39 N3 DG B 2 13.907 19.685 46.447 1.00 24.43 N ATOM 40 C4 DG B 2 13.293 20.148 45.338 1.00 25.33 C ATOM 0 H5' DG B 2 16.823 20.929 41.210 1.00 36.77 H new ATOM 0 H5'' DG B 2 17.255 19.738 40.300 1.00 36.77 H new ATOM 0 H4' DG B 2 17.392 18.898 42.298 1.00 34.80 H new ATOM 0 H3' DG B 2 15.668 17.571 40.871 1.00 34.56 H new ATOM 0 H2' DG B 2 13.748 18.468 41.807 1.00 33.51 H new ATOM 0 H2'' DG B 2 13.936 17.208 42.707 1.00 33.51 H new ATOM 0 H1' DG B 2 14.871 18.359 44.373 1.00 31.80 H new ATOM 0 H8 DG B 2 12.733 20.453 42.312 1.00 27.30 H new ATOM 0 H1 DG B 2 12.070 21.367 48.331 1.00 25.22 H new ATOM 0 H21 DG B 2 14.534 19.283 48.793 1.00 24.09 H new ATOM 0 H22 DG B 2 13.544 20.170 49.466 1.00 24.09 H new ATOM 41 P DC B 3 15.864 15.221 42.273 1.00 37.33 P ATOM 42 OP1 DC B 3 17.025 14.295 42.340 1.00 34.32 O ATOM 43 OP2 DC B 3 14.972 15.195 41.084 1.00 36.55 O ATOM 44 O5' DC B 3 14.974 15.005 43.572 1.00 34.44 O ATOM 45 C5' DC B 3 15.560 15.108 44.879 1.00 31.94 C ATOM 46 C4' DC B 3 14.517 14.859 45.942 1.00 29.76 C ATOM 47 O4' DC B 3 13.696 16.033 46.161 1.00 29.53 O ATOM 48 C3' DC B 3 13.548 13.717 45.633 1.00 29.79 C ATOM 49 O3' DC B 3 13.288 12.999 46.834 1.00 29.66 O ATOM 50 C2' DC B 3 12.277 14.444 45.236 1.00 28.73 C ATOM 51 C1' DC B 3 12.347 15.607 46.198 1.00 28.96 C ATOM 52 N1 DC B 3 11.482 16.758 45.904 1.00 28.72 N ATOM 53 C2 DC B 3 11.098 17.584 46.962 1.00 27.93 C ATOM 54 O2 DC B 3 11.548 17.354 48.096 1.00 28.33 O ATOM 55 N3 DC B 3 10.253 18.611 46.727 1.00 28.73 N ATOM 56 C4 DC B 3 9.802 18.833 45.491 1.00 26.99 C ATOM 57 N4 DC B 3 8.947 19.842 45.313 1.00 25.93 N ATOM 58 C5 DC B 3 10.202 18.026 44.386 1.00 27.33 C ATOM 59 C6 DC B 3 11.038 17.009 44.636 1.00 29.31 C ATOM 0 H5' DC B 3 15.948 15.989 44.998 1.00 31.94 H new ATOM 0 H5'' DC B 3 16.282 14.466 44.968 1.00 31.94 H new ATOM 0 H4' DC B 3 15.043 14.623 46.722 1.00 29.76 H new ATOM 0 H3' DC B 3 13.879 13.100 44.962 1.00 29.79 H new ATOM 0 H2' DC B 3 12.283 14.726 44.308 1.00 28.73 H new ATOM 0 H2'' DC B 3 11.482 13.902 45.363 1.00 28.73 H new ATOM 0 H1' DC B 3 12.029 15.293 47.059 1.00 28.96 H new ATOM 0 H41 DC B 3 8.638 20.011 44.528 1.00 25.93 H new ATOM 0 H42 DC B 3 8.705 20.324 45.983 1.00 25.93 H new ATOM 0 H5 DC B 3 9.895 18.199 43.525 1.00 27.33 H new ATOM 0 H6 DC B 3 11.320 16.466 43.936 1.00 29.31 H new ATOM 60 P DG B 4 13.014 11.424 46.779 1.00 27.38 P ATOM 61 OP1 DG B 4 14.232 10.763 46.245 1.00 28.68 O ATOM 62 OP2 DG B 4 11.710 11.208 46.113 1.00 30.98 O ATOM 63 O5' DG B 4 12.864 11.047 48.316 1.00 30.03 O ATOM 64 C5' DG B 4 13.816 11.527 49.282 1.00 30.93 C ATOM 65 C4' DG B 4 13.106 11.987 50.532 1.00 31.67 C ATOM 66 O4' DG B 4 12.426 13.246 50.296 1.00 33.77 O ATOM 67 C3' DG B 4 12.042 11.016 51.035 1.00 32.76 C ATOM 68 O3' DG B 4 12.112 10.908 52.455 1.00 37.29 O ATOM 69 C2' DG B 4 10.737 11.650 50.588 1.00 31.91 C ATOM 70 C1' DG B 4 11.051 13.136 50.637 1.00 30.09 C ATOM 71 N9 DG B 4 10.288 13.945 49.690 1.00 27.71 N ATOM 72 C8 DG B 4 10.397 13.932 48.320 1.00 27.41 C ATOM 73 N7 DG B 4 9.590 14.772 47.733 1.00 26.69 N ATOM 74 C5 DG B 4 8.902 15.376 48.777 1.00 24.04 C ATOM 75 C6 DG B 4 7.893 16.376 48.755 1.00 24.04 C ATOM 76 O6 DG B 4 7.390 16.944 47.780 1.00 22.40 O ATOM 77 N1 DG B 4 7.466 16.699 50.038 1.00 24.29 N ATOM 78 C2 DG B 4 7.948 16.135 51.194 1.00 25.36 C ATOM 79 N2 DG B 4 7.403 16.579 52.334 1.00 29.12 N ATOM 80 N3 DG B 4 8.891 15.207 51.230 1.00 23.76 N ATOM 81 C4 DG B 4 9.320 14.875 49.992 1.00 25.20 C ATOM 0 H5' DG B 4 14.328 12.260 48.905 1.00 30.93 H new ATOM 0 H5'' DG B 4 14.447 10.824 49.501 1.00 30.93 H new ATOM 0 H4' DG B 4 13.807 12.061 51.198 1.00 31.67 H new ATOM 0 H3' DG B 4 12.146 10.115 50.692 1.00 32.76 H new ATOM 0 H2' DG B 4 10.485 11.365 49.696 1.00 31.91 H new ATOM 0 H2'' DG B 4 10.003 11.417 51.178 1.00 31.91 H new ATOM 0 H1' DG B 4 10.822 13.468 51.519 1.00 30.09 H new ATOM 0 H8 DG B 4 10.986 13.380 47.858 1.00 27.41 H new ATOM 0 H1 DG B 4 6.853 17.298 50.114 1.00 24.29 H new ATOM 0 H21 DG B 4 7.666 16.261 53.089 1.00 29.12 H new ATOM 0 H22 DG B 4 6.790 17.182 52.311 1.00 29.12 H new ATOM 82 P DT B 5 11.265 9.771 53.202 1.00 36.68 P ATOM 83 OP1 DT B 5 11.788 9.633 54.588 1.00 36.01 O ATOM 84 OP2 DT B 5 11.213 8.581 52.315 1.00 36.94 O ATOM 85 O5' DT B 5 9.810 10.411 53.273 1.00 38.29 O ATOM 86 C5' DT B 5 9.586 11.626 54.005 1.00 37.93 C ATOM 87 C4' DT B 5 8.119 11.985 53.982 1.00 39.79 C ATOM 88 O4' DT B 5 7.780 12.784 52.821 1.00 39.38 O ATOM 89 C3' DT B 5 7.175 10.781 53.962 1.00 40.70 C ATOM 90 O3' DT B 5 6.090 11.008 54.854 1.00 44.11 O ATOM 91 C2' DT B 5 6.651 10.774 52.536 1.00 39.72 C ATOM 92 C1' DT B 5 6.585 12.263 52.269 1.00 36.39 C ATOM 93 N1 DT B 5 6.498 12.678 50.855 1.00 30.62 N ATOM 94 C2 DT B 5 5.745 13.797 50.569 1.00 26.75 C ATOM 95 O2 DT B 5 5.193 14.468 51.427 1.00 23.28 O ATOM 96 N3 DT B 5 5.666 14.108 49.237 1.00 25.68 N ATOM 97 C4 DT B 5 6.256 13.434 48.185 1.00 28.44 C ATOM 98 O4 DT B 5 6.085 13.827 47.035 1.00 30.07 O ATOM 99 C5 DT B 5 7.048 12.282 48.559 1.00 26.33 C ATOM 100 C7 DT B 5 7.738 11.499 47.487 1.00 27.86 C ATOM 101 C6 DT B 5 7.128 11.966 49.859 1.00 26.50 C ATOM 0 H5' DT B 5 10.108 12.346 53.618 1.00 37.93 H new ATOM 0 H5'' DT B 5 9.886 11.519 54.921 1.00 37.93 H new ATOM 0 H4' DT B 5 7.994 12.475 54.810 1.00 39.79 H new ATOM 0 H3' DT B 5 7.606 9.953 54.225 1.00 40.70 H new ATOM 0 H2' DT B 5 7.247 10.314 51.925 1.00 39.72 H new ATOM 0 H2'' DT B 5 5.784 10.346 52.462 1.00 39.72 H new ATOM 0 H1' DT B 5 5.761 12.595 52.658 1.00 36.39 H new ATOM 0 H3 DT B 5 5.197 14.799 49.033 1.00 25.68 H new ATOM 0 H71 DT B 5 7.225 11.554 46.665 1.00 27.86 H new ATOM 0 H72 DT B 5 8.625 11.864 47.339 1.00 27.86 H new ATOM 0 H73 DT B 5 7.812 10.571 47.760 1.00 27.86 H new ATOM 0 H6 DT B 5 7.636 11.226 50.101 1.00 26.50 H new ATOM 102 P DG B 6 5.237 9.765 55.398 1.00 47.92 P ATOM 103 OP1 DG B 6 5.824 9.352 56.698 1.00 45.26 O ATOM 104 OP2 DG B 6 5.098 8.771 54.303 1.00 47.05 O ATOM 105 O5' DG B 6 3.808 10.404 55.671 1.00 45.45 O ATOM 106 C5' DG B 6 3.681 11.632 56.401 1.00 41.89 C ATOM 107 C4' DG B 6 2.372 12.298 56.056 1.00 40.19 C ATOM 108 O4' DG B 6 2.476 12.952 54.766 1.00 37.65 O ATOM 109 C3' DG B 6 1.216 11.306 55.946 1.00 41.55 C ATOM 110 O3' DG B 6 0.041 11.808 56.580 1.00 45.52 O ATOM 111 C2' DG B 6 1.008 11.156 54.450 1.00 39.24 C ATOM 112 C1' DG B 6 1.450 12.498 53.898 1.00 35.10 C ATOM 113 N9 DG B 6 2.008 12.399 52.553 1.00 30.06 N ATOM 114 C8 DG B 6 3.086 11.641 52.165 1.00 25.15 C ATOM 115 N7 DG B 6 3.331 11.711 50.885 1.00 23.86 N ATOM 116 C5 DG B 6 2.365 12.577 50.396 1.00 25.00 C ATOM 117 C6 DG B 6 2.124 13.030 49.071 1.00 25.31 C ATOM 118 O6 DG B 6 2.734 12.739 48.035 1.00 24.73 O ATOM 119 N1 DG B 6 1.043 13.905 49.018 1.00 25.93 N ATOM 120 C2 DG B 6 0.291 14.296 50.099 1.00 27.32 C ATOM 121 N2 DG B 6 -0.705 15.160 49.843 1.00 26.67 N ATOM 122 N3 DG B 6 0.500 13.876 51.338 1.00 26.98 N ATOM 123 C4 DG B 6 1.545 13.022 51.412 1.00 26.18 C ATOM 0 H5' DG B 6 4.420 12.223 56.188 1.00 41.89 H new ATOM 0 H5'' DG B 6 3.723 11.457 57.354 1.00 41.89 H new ATOM 0 H4' DG B 6 2.193 12.925 56.774 1.00 40.19 H new ATOM 0 H3' DG B 6 1.407 10.462 56.385 1.00 41.55 H new ATOM 0 H2' DG B 6 1.536 10.428 54.087 1.00 39.24 H new ATOM 0 H2'' DG B 6 0.081 10.968 54.235 1.00 39.24 H new ATOM 0 H1' DG B 6 0.685 13.092 53.847 1.00 35.10 H new ATOM 0 H8 DG B 6 3.591 11.129 52.755 1.00 25.15 H new ATOM 0 H1 DG B 6 0.829 14.226 48.249 1.00 25.93 H new ATOM 0 H21 DG B 6 -1.208 15.438 50.483 1.00 26.67 H new ATOM 0 H22 DG B 6 -0.840 15.435 49.039 1.00 26.67 H new ATOM 124 P DG B 7 -1.292 10.912 56.593 1.00 46.72 P ATOM 125 OP1 DG B 7 -1.938 11.043 57.924 1.00 47.69 O ATOM 126 OP2 DG B 7 -0.944 9.562 56.073 1.00 45.13 O ATOM 127 O5' DG B 7 -2.205 11.644 55.520 1.00 45.05 O ATOM 128 C5' DG B 7 -2.381 13.065 55.580 1.00 44.07 C ATOM 129 C4' DG B 7 -3.371 13.512 54.533 1.00 42.06 C ATOM 130 O4' DG B 7 -2.752 13.517 53.224 1.00 40.31 O ATOM 131 C3' DG B 7 -4.600 12.614 54.425 1.00 42.26 C ATOM 132 O3' DG B 7 -5.761 13.425 54.250 1.00 46.76 O ATOM 133 C2' DG B 7 -4.320 11.780 53.185 1.00 39.93 C ATOM 134 C1' DG B 7 -3.527 12.748 52.321 1.00 37.24 C ATOM 135 N9 DG B 7 -2.614 12.128 51.364 1.00 33.05 N ATOM 136 C8 DG B 7 -1.592 11.253 51.642 1.00 31.26 C ATOM 137 N7 DG B 7 -0.936 10.878 50.578 1.00 31.87 N ATOM 138 C5 DG B 7 -1.561 11.543 49.532 1.00 31.07 C ATOM 139 C6 DG B 7 -1.288 11.534 48.137 1.00 30.17 C ATOM 140 O6 DG B 7 -0.405 10.917 47.528 1.00 32.20 O ATOM 141 N1 DG B 7 -2.170 12.347 47.435 1.00 28.06 N ATOM 142 C2 DG B 7 -3.184 13.079 48.001 1.00 30.33 C ATOM 143 N2 DG B 7 -3.933 13.798 47.152 1.00 29.93 N ATOM 144 N3 DG B 7 -3.447 13.103 49.299 1.00 29.07 N ATOM 145 C4 DG B 7 -2.604 12.317 50.000 1.00 30.04 C ATOM 0 H5' DG B 7 -1.530 13.509 55.441 1.00 44.07 H new ATOM 0 H5'' DG B 7 -2.694 13.322 56.461 1.00 44.07 H new ATOM 0 H4' DG B 7 -3.650 14.397 54.815 1.00 42.06 H new ATOM 0 H3' DG B 7 -4.759 12.065 55.208 1.00 42.26 H new ATOM 0 H2' DG B 7 -3.812 10.980 53.393 1.00 39.93 H new ATOM 0 H2'' DG B 7 -5.138 11.492 52.750 1.00 39.93 H new ATOM 0 H1' DG B 7 -4.160 13.252 51.786 1.00 37.24 H new ATOM 0 H8 DG B 7 -1.389 10.958 52.500 1.00 31.26 H new ATOM 0 H1 DG B 7 -2.073 12.395 46.582 1.00 28.06 H new ATOM 0 H21 DG B 7 -4.583 14.276 47.451 1.00 29.93 H new ATOM 0 H22 DG B 7 -3.764 13.781 46.309 1.00 29.93 H new ATOM 146 P DG B 8 -7.216 12.809 54.530 1.00 48.34 P ATOM 147 OP1 DG B 8 -7.817 13.525 55.680 1.00 48.86 O ATOM 148 OP2 DG B 8 -7.079 11.329 54.572 1.00 47.46 O ATOM 149 O5' DG B 8 -8.012 13.201 53.209 1.00 46.20 O ATOM 150 C5' DG B 8 -7.333 13.192 51.948 1.00 41.06 C ATOM 151 C4' DG B 8 -8.283 13.522 50.823 1.00 39.27 C ATOM 152 O4' DG B 8 -7.552 13.316 49.595 1.00 37.47 O ATOM 153 C3' DG B 8 -9.485 12.592 50.727 1.00 39.94 C ATOM 154 O3' DG B 8 -10.560 13.263 50.065 1.00 41.92 O ATOM 155 C2' DG B 8 -8.956 11.434 49.904 1.00 37.97 C ATOM 156 C1' DG B 8 -7.933 12.089 48.986 1.00 34.94 C ATOM 157 N9 DG B 8 -6.725 11.288 48.835 1.00 31.37 N ATOM 158 C8 DG B 8 -6.007 10.683 49.838 1.00 29.64 C ATOM 159 N7 DG B 8 -4.963 10.035 49.403 1.00 29.26 N ATOM 160 C5 DG B 8 -4.995 10.221 48.027 1.00 28.96 C ATOM 161 C6 DG B 8 -4.117 9.755 47.019 1.00 30.37 C ATOM 162 O6 DG B 8 -3.098 9.063 47.143 1.00 32.58 O ATOM 163 N1 DG B 8 -4.523 10.171 45.755 1.00 30.49 N ATOM 164 C2 DG B 8 -5.631 10.940 45.497 1.00 30.65 C ATOM 165 N2 DG B 8 -5.863 11.231 44.211 1.00 31.54 N ATOM 166 N3 DG B 8 -6.455 11.386 46.429 1.00 28.70 N ATOM 167 C4 DG B 8 -6.079 10.990 47.663 1.00 29.13 C ATOM 0 H5' DG B 8 -6.936 12.320 51.796 1.00 41.06 H new ATOM 0 H5'' DG B 8 -6.607 13.835 51.963 1.00 41.06 H new ATOM 0 H4' DG B 8 -8.604 14.424 50.979 1.00 39.27 H new ATOM 0 H3' DG B 8 -9.836 12.305 51.584 1.00 39.94 H new ATOM 0 H2' DG B 8 -8.550 10.754 50.464 1.00 37.97 H new ATOM 0 H2'' DG B 8 -9.663 11.001 49.400 1.00 37.97 H new ATOM 0 H1' DG B 8 -8.334 12.199 48.110 1.00 34.94 H new ATOM 0 H8 DG B 8 -6.242 10.731 50.737 1.00 29.64 H new ATOM 0 H1 DG B 8 -4.043 9.928 45.084 1.00 30.49 H new ATOM 0 H21 DG B 8 -6.544 11.710 43.995 1.00 31.54 H new ATOM 0 H22 DG B 8 -5.331 10.939 43.601 1.00 31.54 H new ATOM 168 P DA B 9 -11.751 12.405 49.416 1.00 40.75 P ATOM 169 OP1 DA B 9 -12.764 13.349 48.874 1.00 41.29 O ATOM 170 OP2 DA B 9 -12.158 11.384 50.414 1.00 43.14 O ATOM 171 O5' DA B 9 -11.057 11.661 48.193 1.00 41.48 O ATOM 172 C5' DA B 9 -10.733 12.374 46.988 1.00 36.32 C ATOM 173 C4' DA B 9 -10.690 11.427 45.813 1.00 37.44 C ATOM 174 O4' DA B 9 -9.442 10.691 45.798 1.00 36.07 O ATOM 175 C3' DA B 9 -11.808 10.383 45.788 1.00 38.73 C ATOM 176 O3' DA B 9 -12.346 10.271 44.468 1.00 43.33 O ATOM 177 C2' DA B 9 -11.110 9.102 46.215 1.00 36.63 C ATOM 178 C1' DA B 9 -9.699 9.298 45.690 1.00 32.47 C ATOM 179 N9 DA B 9 -8.668 8.591 46.453 1.00 31.07 N ATOM 180 C8 DA B 9 -8.651 8.323 47.800 1.00 27.62 C ATOM 181 N7 DA B 9 -7.583 7.674 48.197 1.00 24.41 N ATOM 182 C5 DA B 9 -6.847 7.499 47.035 1.00 25.16 C ATOM 183 C6 DA B 9 -5.604 6.887 46.779 1.00 24.64 C ATOM 184 N6 DA B 9 -4.854 6.309 47.723 1.00 24.05 N ATOM 185 N1 DA B 9 -5.151 6.885 45.507 1.00 25.59 N ATOM 186 C2 DA B 9 -5.902 7.464 44.560 1.00 22.99 C ATOM 187 N3 DA B 9 -7.081 8.073 44.673 1.00 27.00 N ATOM 188 C4 DA B 9 -7.504 8.058 45.950 1.00 28.34 C ATOM 0 H5' DA B 9 -9.875 12.815 47.087 1.00 36.32 H new ATOM 0 H5'' DA B 9 -11.392 13.068 46.828 1.00 36.32 H new ATOM 0 H4' DA B 9 -10.795 12.005 45.041 1.00 37.44 H new ATOM 0 H3' DA B 9 -12.557 10.603 46.364 1.00 38.73 H new ATOM 0 H2' DA B 9 -11.123 8.989 47.178 1.00 36.63 H new ATOM 0 H2'' DA B 9 -11.531 8.317 45.831 1.00 36.63 H new ATOM 0 H1' DA B 9 -9.656 8.945 44.788 1.00 32.47 H new ATOM 0 H8 DA B 9 -9.334 8.578 48.377 1.00 27.62 H new ATOM 0 H61 DA B 9 -4.102 5.949 47.514 1.00 24.05 H new ATOM 0 H62 DA B 9 -5.124 6.297 48.539 1.00 24.05 H new ATOM 0 H2 DA B 9 -5.549 7.437 43.700 1.00 22.99 H new ATOM 189 P DC B 10 -13.178 8.962 44.054 1.00 45.32 P ATOM 190 OP1 DC B 10 -14.144 9.344 42.993 1.00 48.14 O ATOM 191 OP2 DC B 10 -13.671 8.310 45.292 1.00 50.37 O ATOM 192 O5' DC B 10 -12.063 8.033 43.404 1.00 47.32 O ATOM 193 C5' DC B 10 -11.099 8.599 42.500 1.00 46.07 C ATOM 194 C4' DC B 10 -10.275 7.511 41.855 1.00 43.18 C ATOM 195 O4' DC B 10 -9.267 7.016 42.769 1.00 39.16 O ATOM 196 C3' DC B 10 -11.076 6.292 41.394 1.00 41.58 C ATOM 197 O3' DC B 10 -10.619 5.884 40.105 1.00 40.68 O ATOM 198 C2' DC B 10 -10.736 5.236 42.431 1.00 39.97 C ATOM 199 C1' DC B 10 -9.305 5.601 42.777 1.00 37.25 C ATOM 200 N1 DC B 10 -8.831 5.138 44.090 1.00 35.30 N ATOM 201 C2 DC B 10 -7.597 4.482 44.160 1.00 34.47 C ATOM 202 O2 DC B 10 -6.943 4.320 43.119 1.00 35.13 O ATOM 203 N3 DC B 10 -7.149 4.039 45.356 1.00 33.06 N ATOM 204 C4 DC B 10 -7.880 4.232 46.454 1.00 32.62 C ATOM 205 N4 DC B 10 -7.398 3.774 47.611 1.00 31.62 N ATOM 206 C5 DC B 10 -9.139 4.903 46.415 1.00 32.52 C ATOM 207 C6 DC B 10 -9.572 5.337 45.222 1.00 33.89 C ATOM 0 H5' DC B 10 -10.518 9.211 42.979 1.00 46.07 H new ATOM 0 H5'' DC B 10 -11.553 9.116 41.817 1.00 46.07 H new ATOM 0 H4' DC B 10 -9.891 7.941 41.075 1.00 43.18 H new ATOM 0 H3' DC B 10 -12.029 6.457 41.322 1.00 41.58 H new ATOM 0 H2' DC B 10 -11.321 5.281 43.203 1.00 39.97 H new ATOM 0 H2'' DC B 10 -10.807 4.337 42.073 1.00 39.97 H new ATOM 0 H1' DC B 10 -8.724 5.167 42.133 1.00 37.25 H new ATOM 0 H41 DC B 10 -7.846 3.883 48.337 1.00 31.62 H new ATOM 0 H42 DC B 10 -6.639 3.370 47.631 1.00 31.62 H new ATOM 0 H5 DC B 10 -9.640 5.034 47.187 1.00 32.52 H new ATOM 0 H6 DC B 10 -10.388 5.780 45.164 1.00 33.89 H new ATOM 208 P DC B 11 -11.594 5.053 39.141 1.00 39.20 P ATOM 209 OP1 DC B 11 -11.628 5.743 37.831 1.00 39.34 O ATOM 210 OP2 DC B 11 -12.865 4.793 39.870 1.00 40.40 O ATOM 211 O5' DC B 11 -10.825 3.671 38.964 1.00 40.26 O ATOM 212 C5' DC B 11 -9.528 3.640 38.348 1.00 38.24 C ATOM 213 C4' DC B 11 -8.879 2.291 38.548 1.00 37.66 C ATOM 214 O4' DC B 11 -8.352 2.162 39.892 1.00 36.58 O ATOM 215 C3' DC B 11 -9.799 1.087 38.334 1.00 35.35 C ATOM 216 O3' DC B 11 -9.042 0.047 37.715 1.00 36.67 O ATOM 217 C2' DC B 11 -10.109 0.639 39.752 1.00 33.84 C ATOM 218 C1' DC B 11 -8.783 0.923 40.428 1.00 31.88 C ATOM 219 N1 DC B 11 -8.798 1.033 41.897 1.00 27.81 N ATOM 220 C2 DC B 11 -7.693 0.559 42.606 1.00 25.66 C ATOM 221 O2 DC B 11 -6.735 0.093 41.973 1.00 28.78 O ATOM 222 N3 DC B 11 -7.693 0.620 43.956 1.00 23.37 N ATOM 223 C4 DC B 11 -8.740 1.138 44.599 1.00 24.21 C ATOM 224 N4 DC B 11 -8.699 1.168 45.935 1.00 22.41 N ATOM 225 C5 DC B 11 -9.876 1.644 43.902 1.00 26.47 C ATOM 226 C6 DC B 11 -9.864 1.573 42.562 1.00 29.17 C ATOM 0 H5' DC B 11 -8.967 4.334 38.728 1.00 38.24 H new ATOM 0 H5'' DC B 11 -9.610 3.828 37.400 1.00 38.24 H new ATOM 0 H4' DC B 11 -8.187 2.273 37.869 1.00 37.66 H new ATOM 0 H3' DC B 11 -10.580 1.286 37.795 1.00 35.35 H new ATOM 0 H2' DC B 11 -10.839 1.141 40.146 1.00 33.84 H new ATOM 0 H2'' DC B 11 -10.353 -0.299 39.798 1.00 33.84 H new ATOM 0 HO3' DC B 11 -8.235 0.118 37.936 1.00 36.67 H new ATOM 0 H1' DC B 11 -8.204 0.164 40.256 1.00 31.88 H new ATOM 0 H41 DC B 11 -9.359 1.496 46.378 1.00 22.41 H new ATOM 0 H42 DC B 11 -8.013 0.859 46.351 1.00 22.41 H new ATOM 0 H5 DC B 11 -10.599 2.010 44.359 1.00 26.47 H new ATOM 0 H6 DC B 11 -10.590 1.895 42.079 1.00 29.17 H new TER 227 DC B 11 ATOM 228 O5' DT C 51 -4.890 -7.134 53.650 1.00 43.74 O ATOM 229 C5' DT C 51 -3.828 -6.624 52.843 1.00 43.13 C ATOM 230 C4' DT C 51 -3.777 -7.310 51.497 1.00 42.67 C ATOM 231 O4' DT C 51 -4.980 -6.997 50.757 1.00 42.81 O ATOM 232 C3' DT C 51 -2.611 -6.874 50.608 1.00 43.33 C ATOM 233 O3' DT C 51 -2.143 -7.997 49.846 1.00 45.80 O ATOM 234 C2' DT C 51 -3.235 -5.817 49.714 1.00 40.93 C ATOM 235 C1' DT C 51 -4.657 -6.327 49.546 1.00 39.23 C ATOM 236 N1 DT C 51 -5.674 -5.278 49.326 1.00 34.73 N ATOM 237 C2 DT C 51 -6.131 -5.067 48.043 1.00 31.16 C ATOM 238 O2 DT C 51 -5.716 -5.681 47.075 1.00 30.34 O ATOM 239 N3 DT C 51 -7.095 -4.096 47.933 1.00 30.22 N ATOM 240 C4 DT C 51 -7.627 -3.325 48.947 1.00 31.22 C ATOM 241 O4 DT C 51 -8.492 -2.495 48.692 1.00 32.44 O ATOM 242 C5 DT C 51 -7.091 -3.587 50.263 1.00 32.03 C ATOM 243 C7 DT C 51 -7.597 -2.787 51.424 1.00 30.04 C ATOM 244 C6 DT C 51 -6.158 -4.537 50.386 1.00 32.39 C ATOM 0 H5' DT C 51 -2.983 -6.747 53.303 1.00 43.13 H new ATOM 0 H5'' DT C 51 -3.946 -5.669 52.717 1.00 43.13 H new ATOM 0 H4' DT C 51 -3.675 -8.254 51.697 1.00 42.67 H new ATOM 0 H3' DT C 51 -1.843 -6.538 51.096 1.00 43.33 H new ATOM 0 H2' DT C 51 -3.213 -4.938 50.124 1.00 40.93 H new ATOM 0 H2'' DT C 51 -2.774 -5.745 48.864 1.00 40.93 H new ATOM 0 HO5' DT C 51 -4.895 -6.738 54.391 1.00 43.74 H new ATOM 0 H1' DT C 51 -4.676 -6.886 48.754 1.00 39.23 H new ATOM 0 H3 DT C 51 -7.402 -3.952 47.143 1.00 30.22 H new ATOM 0 H71 DT C 51 -7.550 -3.323 52.231 1.00 30.04 H new ATOM 0 H72 DT C 51 -7.051 -1.992 51.532 1.00 30.04 H new ATOM 0 H73 DT C 51 -8.517 -2.527 51.262 1.00 30.04 H new ATOM 0 H6 DT C 51 -5.816 -4.708 51.234 1.00 32.39 H new ATOM 245 P DG C 52 -0.562 -8.219 49.632 1.00 45.21 P ATOM 246 OP1 DG C 52 -0.341 -9.635 49.241 1.00 44.33 O ATOM 247 OP2 DG C 52 0.137 -7.668 50.823 1.00 43.57 O ATOM 248 O5' DG C 52 -0.216 -7.299 48.379 1.00 43.02 O ATOM 249 C5' DG C 52 -1.202 -6.401 47.845 1.00 43.64 C ATOM 250 C4' DG C 52 -0.698 -5.745 46.582 1.00 41.70 C ATOM 251 O4' DG C 52 -1.762 -4.913 46.069 1.00 39.62 O ATOM 252 C3' DG C 52 0.494 -4.812 46.783 1.00 41.26 C ATOM 253 O3' DG C 52 1.306 -4.790 45.601 1.00 44.03 O ATOM 254 C2' DG C 52 -0.163 -3.467 47.029 1.00 40.19 C ATOM 255 C1' DG C 52 -1.418 -3.538 46.175 1.00 36.07 C ATOM 256 N9 DG C 52 -2.564 -2.842 46.746 1.00 30.64 N ATOM 257 C8 DG C 52 -2.828 -2.630 48.078 1.00 27.76 C ATOM 258 N7 DG C 52 -3.938 -1.973 48.281 1.00 26.50 N ATOM 259 C5 DG C 52 -4.436 -1.739 47.005 1.00 25.62 C ATOM 260 C6 DG C 52 -5.611 -1.070 46.589 1.00 24.82 C ATOM 261 O6 DG C 52 -6.480 -0.530 47.283 1.00 27.77 O ATOM 262 N1 DG C 52 -5.729 -1.062 45.203 1.00 26.67 N ATOM 263 C2 DG C 52 -4.831 -1.626 44.332 1.00 26.81 C ATOM 264 N2 DG C 52 -5.118 -1.519 43.030 1.00 29.57 N ATOM 265 N3 DG C 52 -3.732 -2.252 44.709 1.00 27.42 N ATOM 266 C4 DG C 52 -3.598 -2.270 46.050 1.00 27.11 C ATOM 0 H5' DG C 52 -1.418 -5.722 48.503 1.00 43.64 H new ATOM 0 H5'' DG C 52 -2.021 -6.886 47.658 1.00 43.64 H new ATOM 0 H4' DG C 52 -0.421 -6.466 45.995 1.00 41.70 H new ATOM 0 H3' DG C 52 1.084 -5.077 47.506 1.00 41.26 H new ATOM 0 H2' DG C 52 -0.374 -3.336 47.967 1.00 40.19 H new ATOM 0 H2'' DG C 52 0.412 -2.732 46.762 1.00 40.19 H new ATOM 0 H1' DG C 52 -1.223 -3.110 45.327 1.00 36.07 H new ATOM 0 H8 DG C 52 -2.273 -2.924 48.764 1.00 27.76 H new ATOM 0 H1 DG C 52 -6.418 -0.673 44.866 1.00 26.67 H new ATOM 0 H21 DG C 52 -4.587 -1.856 42.443 1.00 29.57 H new ATOM 0 H22 DG C 52 -5.834 -1.113 42.779 1.00 29.57 H new ATOM 267 P DG C 53 2.735 -4.052 45.627 1.00 47.98 P ATOM 268 OP1 DG C 53 3.298 -4.093 44.252 1.00 48.21 O ATOM 269 OP2 DG C 53 3.520 -4.617 46.758 1.00 48.10 O ATOM 270 O5' DG C 53 2.369 -2.542 45.981 1.00 45.33 O ATOM 271 C5' DG C 53 2.452 -1.510 44.984 1.00 39.33 C ATOM 272 C4' DG C 53 1.289 -1.616 44.024 1.00 35.49 C ATOM 273 O4' DG C 53 0.037 -1.520 44.746 1.00 32.59 O ATOM 274 C3' DG C 53 1.249 -0.519 42.962 1.00 35.27 C ATOM 275 O3' DG C 53 0.863 -1.069 41.705 1.00 39.18 O ATOM 276 C2' DG C 53 0.186 0.436 43.472 1.00 32.48 C ATOM 277 C1' DG C 53 -0.772 -0.497 44.187 1.00 30.33 C ATOM 278 N9 DG C 53 -1.515 0.137 45.270 1.00 27.77 N ATOM 279 C8 DG C 53 -1.269 0.035 46.618 1.00 23.83 C ATOM 280 N7 DG C 53 -2.102 0.730 47.345 1.00 21.79 N ATOM 281 C5 DG C 53 -2.952 1.325 46.422 1.00 23.39 C ATOM 282 C6 DG C 53 -4.057 2.197 46.616 1.00 20.42 C ATOM 283 O6 DG C 53 -4.520 2.631 47.674 1.00 23.79 O ATOM 284 N1 DG C 53 -4.635 2.564 45.407 1.00 21.48 N ATOM 285 C2 DG C 53 -4.210 2.148 44.171 1.00 24.03 C ATOM 286 N2 DG C 53 -4.902 2.617 43.122 1.00 23.63 N ATOM 287 N3 DG C 53 -3.186 1.335 43.976 1.00 25.42 N ATOM 288 C4 DG C 53 -2.605 0.966 45.137 1.00 24.83 C ATOM 0 H5' DG C 53 3.288 -1.586 44.499 1.00 39.33 H new ATOM 0 H5'' DG C 53 2.450 -0.639 45.410 1.00 39.33 H new ATOM 0 H4' DG C 53 1.411 -2.472 43.585 1.00 35.49 H new ATOM 0 H3' DG C 53 2.107 -0.088 42.826 1.00 35.27 H new ATOM 0 H2' DG C 53 0.556 1.103 44.071 1.00 32.48 H new ATOM 0 H2'' DG C 53 -0.248 0.915 42.748 1.00 32.48 H new ATOM 0 H1' DG C 53 -1.434 -0.812 43.551 1.00 30.33 H new ATOM 0 H8 DG C 53 -0.580 -0.477 46.976 1.00 23.83 H new ATOM 0 H1 DG C 53 -5.312 3.093 45.436 1.00 21.48 H new ATOM 0 H21 DG C 53 -4.679 2.389 42.323 1.00 23.63 H new ATOM 0 H22 DG C 53 -5.568 3.146 43.248 1.00 23.63 H new ATOM 289 P DT C 54 1.340 -0.355 40.351 1.00 41.75 P ATOM 290 OP1 DT C 54 0.924 -1.216 39.214 1.00 39.06 O ATOM 291 OP2 DT C 54 2.774 0.013 40.509 1.00 39.78 O ATOM 292 O5' DT C 54 0.478 0.983 40.315 1.00 38.26 O ATOM 293 C5' DT C 54 -0.849 0.978 39.765 1.00 40.18 C ATOM 294 C4' DT C 54 -1.378 2.387 39.649 1.00 38.07 C ATOM 295 O4' DT C 54 -1.980 2.834 40.887 1.00 37.09 O ATOM 296 C3' DT C 54 -0.337 3.445 39.277 1.00 39.80 C ATOM 297 O3' DT C 54 -0.909 4.354 38.343 1.00 45.60 O ATOM 298 C2' DT C 54 -0.106 4.177 40.585 1.00 36.76 C ATOM 299 C1' DT C 54 -1.506 4.140 41.161 1.00 33.71 C ATOM 300 N1 DT C 54 -1.626 4.382 42.610 1.00 29.73 N ATOM 301 C2 DT C 54 -2.662 5.186 43.032 1.00 28.80 C ATOM 302 O2 DT C 54 -3.468 5.691 42.267 1.00 28.52 O ATOM 303 N3 DT C 54 -2.720 5.381 44.389 1.00 27.34 N ATOM 304 C4 DT C 54 -1.864 4.865 45.343 1.00 26.85 C ATOM 305 O4 DT C 54 -2.039 5.134 46.529 1.00 26.80 O ATOM 306 C5 DT C 54 -0.801 4.027 44.829 1.00 26.30 C ATOM 307 C7 DT C 54 0.172 3.420 45.788 1.00 25.75 C ATOM 308 C6 DT C 54 -0.738 3.830 43.506 1.00 26.03 C ATOM 0 H5' DT C 54 -1.437 0.451 40.329 1.00 40.18 H new ATOM 0 H5'' DT C 54 -0.841 0.557 38.891 1.00 40.18 H new ATOM 0 H4' DT C 54 -2.022 2.317 38.927 1.00 38.07 H new ATOM 0 H3' DT C 54 0.469 3.072 38.887 1.00 39.80 H new ATOM 0 H2' DT C 54 0.540 3.727 41.152 1.00 36.76 H new ATOM 0 H2'' DT C 54 0.216 5.082 40.451 1.00 36.76 H new ATOM 0 H1' DT C 54 -2.008 4.865 40.757 1.00 33.71 H new ATOM 0 H3 DT C 54 -3.359 5.879 44.677 1.00 27.34 H new ATOM 0 H71 DT C 54 0.492 2.576 45.434 1.00 25.75 H new ATOM 0 H72 DT C 54 0.922 4.023 45.914 1.00 25.75 H new ATOM 0 H73 DT C 54 -0.266 3.267 46.640 1.00 25.75 H new ATOM 0 H6 DT C 54 -0.057 3.291 43.174 1.00 26.03 H new ATOM 309 P DC C 55 0.039 5.145 37.321 1.00 51.00 P ATOM 310 OP1 DC C 55 0.139 4.355 36.066 1.00 52.51 O ATOM 311 OP2 DC C 55 1.276 5.536 38.047 1.00 49.37 O ATOM 312 O5' DC C 55 -0.792 6.460 37.008 1.00 48.39 O ATOM 313 C5' DC C 55 -0.470 7.699 37.645 1.00 47.27 C ATOM 314 C4' DC C 55 -1.728 8.502 37.866 1.00 46.51 C ATOM 315 O4' DC C 55 -2.306 8.157 39.150 1.00 44.19 O ATOM 316 C3' DC C 55 -1.482 10.006 37.901 1.00 47.90 C ATOM 317 O3' DC C 55 -2.501 10.681 37.175 1.00 51.10 O ATOM 318 C2' DC C 55 -1.517 10.356 39.376 1.00 45.75 C ATOM 319 C1' DC C 55 -2.449 9.314 39.963 1.00 38.91 C ATOM 320 N1 DC C 55 -2.073 8.953 41.339 1.00 33.67 N ATOM 321 C2 DC C 55 -2.916 9.328 42.389 1.00 32.38 C ATOM 322 O2 DC C 55 -3.977 9.915 42.127 1.00 32.08 O ATOM 323 N3 DC C 55 -2.555 9.039 43.663 1.00 30.16 N ATOM 324 C4 DC C 55 -1.411 8.395 43.901 1.00 26.88 C ATOM 325 N4 DC C 55 -1.085 8.145 45.171 1.00 26.44 N ATOM 326 C5 DC C 55 -0.545 7.983 42.847 1.00 25.75 C ATOM 327 C6 DC C 55 -0.911 8.279 41.594 1.00 29.32 C ATOM 0 H5' DC C 55 0.153 8.202 37.097 1.00 47.27 H new ATOM 0 H5'' DC C 55 -0.030 7.532 38.493 1.00 47.27 H new ATOM 0 H4' DC C 55 -2.311 8.290 37.121 1.00 46.51 H new ATOM 0 H3' DC C 55 -0.642 10.268 37.492 1.00 47.90 H new ATOM 0 H2' DC C 55 -0.634 10.311 39.775 1.00 45.75 H new ATOM 0 H2'' DC C 55 -1.849 11.256 39.522 1.00 45.75 H new ATOM 0 H1' DC C 55 -3.354 9.661 39.985 1.00 38.91 H new ATOM 0 H41 DC C 55 -0.353 7.731 45.354 1.00 26.44 H new ATOM 0 H42 DC C 55 -1.607 8.397 45.806 1.00 26.44 H new ATOM 0 H5 DC C 55 0.245 7.525 43.023 1.00 25.75 H new ATOM 0 H6 DC C 55 -0.366 8.022 40.885 1.00 29.32 H new ATOM 328 P DC C 56 -2.261 12.193 36.712 1.00 51.71 P ATOM 329 OP1 DC C 56 -3.135 12.467 35.541 1.00 53.32 O ATOM 330 OP2 DC C 56 -0.796 12.406 36.603 1.00 51.60 O ATOM 331 O5' DC C 56 -2.793 13.024 37.957 1.00 49.96 O ATOM 332 C5' DC C 56 -4.151 12.885 38.393 1.00 47.36 C ATOM 333 C4' DC C 56 -4.403 13.777 39.582 1.00 47.54 C ATOM 334 O4' DC C 56 -3.985 13.127 40.809 1.00 45.73 O ATOM 335 C3' DC C 56 -3.644 15.101 39.514 1.00 48.31 C ATOM 336 O3' DC C 56 -4.500 16.180 39.880 1.00 52.39 O ATOM 337 C2' DC C 56 -2.521 14.921 40.520 1.00 47.31 C ATOM 338 C1' DC C 56 -3.163 14.011 41.550 1.00 44.93 C ATOM 339 N1 DC C 56 -2.224 13.202 42.349 1.00 41.25 N ATOM 340 C2 DC C 56 -2.511 12.975 43.699 1.00 40.11 C ATOM 341 O2 DC C 56 -3.555 13.447 44.177 1.00 42.68 O ATOM 342 N3 DC C 56 -1.649 12.250 44.448 1.00 36.47 N ATOM 343 C4 DC C 56 -0.538 11.762 43.897 1.00 35.61 C ATOM 344 N4 DC C 56 0.290 11.061 44.678 1.00 31.99 N ATOM 345 C5 DC C 56 -0.222 11.971 42.522 1.00 36.56 C ATOM 346 C6 DC C 56 -1.086 12.689 41.790 1.00 37.77 C ATOM 0 H5' DC C 56 -4.330 11.961 38.628 1.00 47.36 H new ATOM 0 H5'' DC C 56 -4.756 13.117 37.671 1.00 47.36 H new ATOM 0 H4' DC C 56 -5.357 13.951 39.569 1.00 47.54 H new ATOM 0 H3' DC C 56 -3.314 15.311 38.626 1.00 48.31 H new ATOM 0 H2' DC C 56 -1.735 14.518 40.119 1.00 47.31 H new ATOM 0 H2'' DC C 56 -2.241 15.766 40.906 1.00 47.31 H new ATOM 0 H1' DC C 56 -3.630 14.568 42.192 1.00 44.93 H new ATOM 0 H41 DC C 56 1.015 10.733 44.351 1.00 31.99 H new ATOM 0 H42 DC C 56 0.098 10.938 45.507 1.00 31.99 H new ATOM 0 H5 DC C 56 0.554 11.622 42.147 1.00 36.56 H new ATOM 0 H6 DC C 56 -0.909 12.840 40.890 1.00 37.77 H new ATOM 347 P DC C 57 -3.892 17.656 40.020 1.00 55.27 P ATOM 348 OP1 DC C 57 -4.988 18.640 39.809 1.00 54.58 O ATOM 349 OP2 DC C 57 -2.665 17.733 39.188 1.00 51.51 O ATOM 350 O5' DC C 57 -3.456 17.705 41.547 1.00 54.73 O ATOM 351 C5' DC C 57 -4.423 17.499 42.587 1.00 50.55 C ATOM 352 C4' DC C 57 -3.840 17.911 43.914 1.00 47.95 C ATOM 353 O4' DC C 57 -3.045 16.839 44.481 1.00 45.95 O ATOM 354 C3' DC C 57 -2.911 19.121 43.802 1.00 46.89 C ATOM 355 O3' DC C 57 -3.124 20.009 44.890 1.00 45.85 O ATOM 356 C2' DC C 57 -1.527 18.509 43.913 1.00 45.07 C ATOM 357 C1' DC C 57 -1.793 17.372 44.874 1.00 44.56 C ATOM 358 N1 DC C 57 -0.797 16.290 44.845 1.00 40.29 N ATOM 359 C2 DC C 57 -0.564 15.559 46.014 1.00 37.70 C ATOM 360 O2 DC C 57 -1.245 15.806 47.024 1.00 34.16 O ATOM 361 N3 DC C 57 0.394 14.605 46.016 1.00 35.26 N ATOM 362 C4 DC C 57 1.097 14.365 44.907 1.00 34.65 C ATOM 363 N4 DC C 57 2.052 13.435 44.960 1.00 37.08 N ATOM 364 C5 DC C 57 0.857 15.072 43.694 1.00 36.58 C ATOM 365 C6 DC C 57 -0.092 16.016 43.708 1.00 38.99 C ATOM 0 H5' DC C 57 -4.686 16.566 42.615 1.00 50.55 H new ATOM 0 H5'' DC C 57 -5.224 18.014 42.402 1.00 50.55 H new ATOM 0 H4' DC C 57 -4.602 18.131 44.472 1.00 47.95 H new ATOM 0 H3' DC C 57 -3.049 19.629 42.987 1.00 46.89 H new ATOM 0 H2' DC C 57 -1.194 18.196 43.057 1.00 45.07 H new ATOM 0 H2'' DC C 57 -0.874 19.137 44.259 1.00 45.07 H new ATOM 0 H1' DC C 57 -1.763 17.721 45.778 1.00 44.56 H new ATOM 0 H41 DC C 57 2.521 13.260 44.261 1.00 37.08 H new ATOM 0 H42 DC C 57 2.199 13.011 45.694 1.00 37.08 H new ATOM 0 H5 DC C 57 1.341 14.885 42.922 1.00 36.58 H new ATOM 0 H6 DC C 57 -0.274 16.493 42.931 1.00 38.99 H new ATOM 366 P DA C 58 -2.322 21.394 44.948 1.00 45.98 P ATOM 367 OP1 DA C 58 -3.119 22.439 44.255 1.00 47.82 O ATOM 368 OP2 DA C 58 -0.925 21.130 44.519 1.00 44.38 O ATOM 369 O5' DA C 58 -2.298 21.720 46.501 1.00 44.96 O ATOM 370 C5' DA C 58 -3.132 20.991 47.416 1.00 40.13 C ATOM 371 C4' DA C 58 -2.368 20.717 48.688 1.00 39.75 C ATOM 372 O4' DA C 58 -1.560 19.521 48.543 1.00 38.85 O ATOM 373 C3' DA C 58 -1.405 21.851 49.033 1.00 40.99 C ATOM 374 O3' DA C 58 -1.480 22.199 50.410 1.00 45.20 O ATOM 375 C2' DA C 58 -0.038 21.287 48.688 1.00 38.73 C ATOM 376 C1' DA C 58 -0.219 19.797 48.906 1.00 34.59 C ATOM 377 N9 DA C 58 0.659 18.982 48.066 1.00 29.82 N ATOM 378 C8 DA C 58 0.760 19.001 46.696 1.00 29.77 C ATOM 379 N7 DA C 58 1.675 18.189 46.222 1.00 30.03 N ATOM 380 C5 DA C 58 2.206 17.587 47.353 1.00 26.14 C ATOM 381 C6 DA C 58 3.224 16.632 47.527 1.00 23.35 C ATOM 382 N6 DA C 58 3.928 16.106 46.521 1.00 23.26 N ATOM 383 N1 DA C 58 3.504 16.234 48.788 1.00 23.39 N ATOM 384 C2 DA C 58 2.811 16.772 49.797 1.00 20.60 C ATOM 385 N3 DA C 58 1.839 17.682 49.762 1.00 25.78 N ATOM 386 C4 DA C 58 1.581 18.054 48.495 1.00 27.37 C ATOM 0 H5' DA C 58 -3.417 20.156 47.013 1.00 40.13 H new ATOM 0 H5'' DA C 58 -3.934 21.500 47.613 1.00 40.13 H new ATOM 0 H4' DA C 58 -3.033 20.620 49.388 1.00 39.75 H new ATOM 0 H3' DA C 58 -1.609 22.667 48.550 1.00 40.99 H new ATOM 0 H2' DA C 58 0.213 21.488 47.773 1.00 38.73 H new ATOM 0 H2'' DA C 58 0.656 21.652 49.259 1.00 38.73 H new ATOM 0 H1' DA C 58 -0.004 19.579 49.826 1.00 34.59 H new ATOM 0 H8 DA C 58 0.229 19.540 46.155 1.00 29.77 H new ATOM 0 H61 DA C 58 4.541 15.525 46.683 1.00 23.26 H new ATOM 0 H62 DA C 58 3.769 16.349 45.712 1.00 23.26 H new ATOM 0 H2 DA C 58 3.041 16.467 50.645 1.00 20.60 H new ATOM 387 P DC C 59 -0.681 23.486 50.939 1.00 49.81 P ATOM 388 OP1 DC C 59 -1.589 24.286 51.799 1.00 50.88 O ATOM 389 OP2 DC C 59 -0.020 24.127 49.774 1.00 46.87 O ATOM 390 O5' DC C 59 0.451 22.841 51.851 1.00 50.22 O ATOM 391 C5' DC C 59 0.115 21.828 52.813 1.00 47.18 C ATOM 392 C4' DC C 59 1.360 21.334 53.508 1.00 42.48 C ATOM 393 O4' DC C 59 2.083 20.409 52.660 1.00 39.61 O ATOM 394 C3' DC C 59 2.345 22.440 53.882 1.00 40.19 C ATOM 395 O3' DC C 59 2.838 22.227 55.201 1.00 40.51 O ATOM 396 C2' DC C 59 3.455 22.292 52.853 1.00 38.89 C ATOM 397 C1' DC C 59 3.442 20.801 52.573 1.00 37.55 C ATOM 398 N1 DC C 59 3.939 20.416 51.242 1.00 36.65 N ATOM 399 C2 DC C 59 4.816 19.331 51.137 1.00 33.98 C ATOM 400 O2 DC C 59 5.153 18.731 52.168 1.00 32.20 O ATOM 401 N3 DC C 59 5.275 18.965 49.919 1.00 33.44 N ATOM 402 C4 DC C 59 4.891 19.639 48.831 1.00 33.90 C ATOM 403 N4 DC C 59 5.366 19.240 47.649 1.00 32.52 N ATOM 404 C5 DC C 59 4.001 20.751 48.909 1.00 33.45 C ATOM 405 C6 DC C 59 3.553 21.101 50.122 1.00 34.91 C ATOM 0 H5' DC C 59 -0.332 21.089 52.371 1.00 47.18 H new ATOM 0 H5'' DC C 59 -0.507 22.186 53.466 1.00 47.18 H new ATOM 0 H4' DC C 59 1.036 20.915 54.321 1.00 42.48 H new ATOM 0 H3' DC C 59 1.951 23.326 53.878 1.00 40.19 H new ATOM 0 H2' DC C 59 3.278 22.812 52.053 1.00 38.89 H new ATOM 0 H2'' DC C 59 4.311 22.587 53.200 1.00 38.89 H new ATOM 0 H1' DC C 59 4.034 20.371 53.209 1.00 37.55 H new ATOM 0 H41 DC C 59 5.136 19.654 46.931 1.00 32.52 H new ATOM 0 H42 DC C 59 5.902 18.569 47.605 1.00 32.52 H new ATOM 0 H5 DC C 59 3.741 21.216 48.146 1.00 33.45 H new ATOM 0 H6 DC C 59 2.970 21.821 50.204 1.00 34.91 H new ATOM 406 P DG C 60 3.815 23.308 55.868 1.00 40.39 P ATOM 407 OP1 DG C 60 3.486 23.401 57.313 1.00 43.22 O ATOM 408 OP2 DG C 60 3.789 24.533 55.029 1.00 43.89 O ATOM 409 O5' DG C 60 5.244 22.629 55.719 1.00 38.62 O ATOM 410 C5' DG C 60 5.479 21.317 56.250 1.00 40.54 C ATOM 411 C4' DG C 60 6.894 20.881 55.954 1.00 42.55 C ATOM 412 O4' DG C 60 7.019 20.443 54.579 1.00 42.34 O ATOM 413 C3' DG C 60 7.938 21.977 56.153 1.00 44.88 C ATOM 414 O3' DG C 60 9.085 21.433 56.801 1.00 48.59 O ATOM 415 C2' DG C 60 8.275 22.406 54.736 1.00 42.98 C ATOM 416 C1' DG C 60 8.118 21.103 53.975 1.00 41.58 C ATOM 417 N9 DG C 60 7.836 21.239 52.549 1.00 41.24 N ATOM 418 C8 DG C 60 6.881 22.029 51.955 1.00 38.55 C ATOM 419 N7 DG C 60 6.872 21.935 50.653 1.00 35.74 N ATOM 420 C5 DG C 60 7.883 21.024 50.369 1.00 36.98 C ATOM 421 C6 DG C 60 8.345 20.519 49.123 1.00 36.79 C ATOM 422 O6 DG C 60 7.938 20.782 47.984 1.00 35.19 O ATOM 423 N1 DG C 60 9.391 19.616 49.292 1.00 37.29 N ATOM 424 C2 DG C 60 9.924 19.244 50.504 1.00 38.06 C ATOM 425 N2 DG C 60 10.931 18.356 50.462 1.00 35.65 N ATOM 426 N3 DG C 60 9.502 19.705 51.670 1.00 38.14 N ATOM 427 C4 DG C 60 8.487 20.586 51.528 1.00 39.10 C ATOM 0 H5' DG C 60 4.851 20.687 55.863 1.00 40.54 H new ATOM 0 H5'' DG C 60 5.327 21.316 57.208 1.00 40.54 H new ATOM 0 H4' DG C 60 7.064 20.166 56.587 1.00 42.55 H new ATOM 0 H3' DG C 60 7.629 22.714 56.702 1.00 44.88 H new ATOM 0 H2' DG C 60 7.673 23.093 54.410 1.00 42.98 H new ATOM 0 H2'' DG C 60 9.175 22.762 54.667 1.00 42.98 H new ATOM 0 H1' DG C 60 8.963 20.628 54.023 1.00 41.58 H new ATOM 0 H8 DG C 60 6.300 22.576 52.433 1.00 38.55 H new ATOM 0 H1 DG C 60 9.730 19.264 48.584 1.00 37.29 H new ATOM 0 H21 DG C 60 11.300 18.090 51.192 1.00 35.65 H new ATOM 0 H22 DG C 60 11.207 18.054 49.705 1.00 35.65 H new ATOM 428 P DC C 61 10.025 22.387 57.682 1.00 49.46 P ATOM 429 OP1 DC C 61 10.281 21.701 58.976 1.00 49.34 O ATOM 430 OP2 DC C 61 9.438 23.753 57.677 1.00 46.14 O ATOM 431 O5' DC C 61 11.382 22.419 56.854 1.00 48.00 O ATOM 432 C5' DC C 61 12.180 21.233 56.720 1.00 44.57 C ATOM 433 C4' DC C 61 13.251 21.436 55.675 1.00 43.11 C ATOM 434 O4' DC C 61 12.684 21.360 54.341 1.00 39.86 O ATOM 435 C3' DC C 61 13.976 22.782 55.756 1.00 41.63 C ATOM 436 O3' DC C 61 15.358 22.622 55.431 1.00 44.76 O ATOM 437 C2' DC C 61 13.351 23.574 54.623 1.00 39.76 C ATOM 438 C1' DC C 61 13.138 22.476 53.599 1.00 38.68 C ATOM 439 N1 DC C 61 12.162 22.759 52.532 1.00 34.82 N ATOM 440 C2 DC C 61 12.226 22.013 51.349 1.00 33.16 C ATOM 441 O2 DC C 61 13.054 21.096 51.262 1.00 30.63 O ATOM 442 N3 DC C 61 11.382 22.308 50.334 1.00 30.35 N ATOM 443 C4 DC C 61 10.493 23.293 50.471 1.00 30.44 C ATOM 444 N4 DC C 61 9.701 23.567 49.432 1.00 29.67 N ATOM 445 C5 DC C 61 10.382 24.045 51.678 1.00 32.15 C ATOM 446 C6 DC C 61 11.228 23.747 52.674 1.00 34.22 C ATOM 0 H5' DC C 61 11.617 20.483 56.473 1.00 44.57 H new ATOM 0 H5'' DC C 61 12.588 21.013 57.572 1.00 44.57 H new ATOM 0 H4' DC C 61 13.891 20.729 55.853 1.00 43.11 H new ATOM 0 H3' DC C 61 13.906 23.184 56.636 1.00 41.63 H new ATOM 0 H2' DC C 61 12.520 23.999 54.886 1.00 39.76 H new ATOM 0 H2'' DC C 61 13.937 24.274 54.296 1.00 39.76 H new ATOM 0 HO3' DC C 61 15.745 23.366 55.477 1.00 44.76 H new ATOM 0 H1' DC C 61 13.976 22.349 53.126 1.00 38.68 H new ATOM 0 H41 DC C 61 9.118 24.196 49.490 1.00 29.67 H new ATOM 0 H42 DC C 61 9.774 23.114 48.705 1.00 29.67 H new ATOM 0 H5 DC C 61 9.746 24.717 51.770 1.00 32.15 H new ATOM 0 H6 DC C 61 11.179 24.219 53.474 1.00 34.22 H new TER 447 DC C 61 ATOM 448 N ARG A 103 -15.364 9.823 59.094 1.00 57.97 N ATOM 449 CA ARG A 103 -14.506 8.801 58.508 1.00 57.28 C ATOM 450 C ARG A 103 -14.565 7.496 59.305 1.00 57.19 C ATOM 451 O ARG A 103 -14.217 7.449 60.487 1.00 57.49 O ATOM 452 CB ARG A 103 -13.079 9.321 58.396 1.00 56.20 C ATOM 453 CG ARG A 103 -12.964 10.526 57.491 1.00 55.62 C ATOM 454 CD ARG A 103 -11.589 11.112 57.580 1.00 57.13 C ATOM 455 NE ARG A 103 -11.477 12.376 56.873 1.00 59.55 N ATOM 456 CZ ARG A 103 -10.409 13.163 56.931 1.00 63.23 C ATOM 457 NH1 ARG A 103 -9.359 12.813 57.666 1.00 64.41 N ATOM 458 NH2 ARG A 103 -10.395 14.311 56.268 1.00 66.04 N ATOM 0 HA ARG A 103 -14.831 8.602 57.616 1.00 57.28 H new ATOM 0 HB2 ARG A 103 -12.754 9.553 59.280 1.00 56.20 H new ATOM 0 HB3 ARG A 103 -12.507 8.614 58.060 1.00 56.20 H new ATOM 0 HG2 ARG A 103 -13.155 10.270 56.575 1.00 55.62 H new ATOM 0 HG3 ARG A 103 -13.623 11.192 57.743 1.00 55.62 H new ATOM 0 HD2 ARG A 103 -11.357 11.245 58.512 1.00 57.13 H new ATOM 0 HD3 ARG A 103 -10.948 10.482 57.215 1.00 57.13 H new ATOM 0 HE ARG A 103 -12.141 12.629 56.389 1.00 59.55 H new ATOM 0 HH11 ARG A 103 -9.369 12.074 58.106 1.00 64.41 H new ATOM 0 HH12 ARG A 103 -8.669 13.325 57.701 1.00 64.41 H new ATOM 0 HH21 ARG A 103 -11.078 14.546 55.800 1.00 66.04 H new ATOM 0 HH22 ARG A 103 -9.703 14.821 56.305 1.00 66.04 H new ATOM 459 N PRO A 104 -14.979 6.408 58.639 1.00 56.31 N ATOM 460 CA PRO A 104 -15.131 5.053 59.185 1.00 56.04 C ATOM 461 C PRO A 104 -13.908 4.411 59.827 1.00 56.07 C ATOM 462 O PRO A 104 -14.008 3.797 60.890 1.00 55.76 O ATOM 463 CB PRO A 104 -15.644 4.225 58.001 1.00 56.54 C ATOM 464 CG PRO A 104 -15.499 5.074 56.796 1.00 55.55 C ATOM 465 CD PRO A 104 -15.223 6.477 57.188 1.00 54.84 C ATOM 0 HA PRO A 104 -15.732 5.094 59.945 1.00 56.04 H new ATOM 0 HB2 PRO A 104 -15.135 3.405 57.908 1.00 56.54 H new ATOM 0 HB3 PRO A 104 -16.571 3.971 58.134 1.00 56.54 H new ATOM 0 HG2 PRO A 104 -14.778 4.739 56.241 1.00 55.55 H new ATOM 0 HG3 PRO A 104 -16.309 5.033 56.264 1.00 55.55 H new ATOM 0 HD2 PRO A 104 -14.453 6.832 56.716 1.00 54.84 H new ATOM 0 HD3 PRO A 104 -15.973 7.056 56.982 1.00 54.84 H new ATOM 466 N TYR A 105 -12.755 4.562 59.189 1.00 55.50 N ATOM 467 CA TYR A 105 -11.530 3.961 59.698 1.00 54.28 C ATOM 468 C TYR A 105 -10.732 4.896 60.594 1.00 54.04 C ATOM 469 O TYR A 105 -10.539 6.063 60.278 1.00 54.39 O ATOM 470 CB TYR A 105 -10.696 3.439 58.526 1.00 52.31 C ATOM 471 CG TYR A 105 -11.519 2.567 57.603 1.00 49.63 C ATOM 472 CD1 TYR A 105 -11.747 1.221 57.897 1.00 49.65 C ATOM 473 CD2 TYR A 105 -12.135 3.107 56.478 1.00 48.17 C ATOM 474 CE1 TYR A 105 -12.577 0.438 57.095 1.00 48.55 C ATOM 475 CE2 TYR A 105 -12.965 2.336 55.673 1.00 48.89 C ATOM 476 CZ TYR A 105 -13.183 1.006 55.985 1.00 49.14 C ATOM 477 OH TYR A 105 -14.008 0.253 55.183 1.00 47.48 O ATOM 0 H TYR A 105 -12.660 5.008 58.460 1.00 55.50 H new ATOM 0 HA TYR A 105 -11.778 3.217 60.269 1.00 54.28 H new ATOM 0 HB2 TYR A 105 -10.333 4.188 58.027 1.00 52.31 H new ATOM 0 HB3 TYR A 105 -9.942 2.932 58.865 1.00 52.31 H new ATOM 0 HD1 TYR A 105 -11.338 0.840 58.640 1.00 49.65 H new ATOM 0 HD2 TYR A 105 -11.989 3.999 56.261 1.00 48.17 H new ATOM 0 HE1 TYR A 105 -12.723 -0.457 57.303 1.00 48.55 H new ATOM 0 HE2 TYR A 105 -13.373 2.713 54.927 1.00 48.89 H new ATOM 0 HH TYR A 105 -14.300 0.729 54.556 1.00 47.48 H new ATOM 478 N ALA A 106 -10.309 4.373 61.739 1.00 53.68 N ATOM 479 CA ALA A 106 -9.545 5.144 62.707 1.00 51.91 C ATOM 480 C ALA A 106 -8.209 4.484 63.004 1.00 50.09 C ATOM 481 O ALA A 106 -8.093 3.260 62.987 1.00 51.50 O ATOM 482 CB ALA A 106 -10.337 5.276 63.983 1.00 52.50 C ATOM 0 H ALA A 106 -10.458 3.560 61.976 1.00 53.68 H new ATOM 0 HA ALA A 106 -9.374 6.021 62.331 1.00 51.91 H new ATOM 0 HB1 ALA A 106 -9.827 5.790 64.629 1.00 52.50 H new ATOM 0 HB2 ALA A 106 -11.175 5.729 63.799 1.00 52.50 H new ATOM 0 HB3 ALA A 106 -10.519 4.394 64.344 1.00 52.50 H new ATOM 483 N CYS A 107 -7.196 5.300 63.269 1.00 47.58 N ATOM 484 CA CYS A 107 -5.882 4.770 63.595 1.00 46.16 C ATOM 485 C CYS A 107 -5.906 4.444 65.086 1.00 48.04 C ATOM 486 O CYS A 107 -6.094 5.327 65.920 1.00 49.28 O ATOM 487 CB CYS A 107 -4.791 5.794 63.292 1.00 43.04 C ATOM 488 SG CYS A 107 -3.116 5.146 63.467 1.00 38.58 S ATOM 0 H CYS A 107 -7.249 6.158 63.265 1.00 47.58 H new ATOM 0 HA CYS A 107 -5.686 3.982 63.064 1.00 46.16 H new ATOM 0 HB2 CYS A 107 -4.909 6.122 62.387 1.00 43.04 H new ATOM 0 HB3 CYS A 107 -4.899 6.554 63.885 1.00 43.04 H new ATOM 489 N PRO A 108 -5.714 3.165 65.439 1.00 48.52 N ATOM 490 CA PRO A 108 -5.721 2.731 66.836 1.00 48.69 C ATOM 491 C PRO A 108 -4.450 3.007 67.598 1.00 49.86 C ATOM 492 O PRO A 108 -4.316 2.577 68.747 1.00 52.85 O ATOM 493 CB PRO A 108 -5.977 1.234 66.745 1.00 47.78 C ATOM 494 CG PRO A 108 -5.649 0.867 65.380 1.00 48.44 C ATOM 495 CD PRO A 108 -5.305 2.071 64.558 1.00 48.55 C ATOM 0 HA PRO A 108 -6.389 3.226 67.336 1.00 48.69 H new ATOM 0 HB2 PRO A 108 -5.428 0.747 67.379 1.00 47.78 H new ATOM 0 HB3 PRO A 108 -6.902 1.025 66.950 1.00 47.78 H new ATOM 0 HG2 PRO A 108 -4.901 0.249 65.380 1.00 48.44 H new ATOM 0 HG3 PRO A 108 -6.400 0.403 64.979 1.00 48.44 H new ATOM 0 HD2 PRO A 108 -4.359 2.109 64.347 1.00 48.55 H new ATOM 0 HD3 PRO A 108 -5.785 2.085 63.715 1.00 48.55 H new ATOM 496 N VAL A 109 -3.487 3.666 66.961 1.00 49.36 N ATOM 497 CA VAL A 109 -2.277 3.972 67.690 1.00 48.99 C ATOM 498 C VAL A 109 -2.525 5.134 68.616 1.00 49.37 C ATOM 499 O VAL A 109 -3.059 6.172 68.231 1.00 47.99 O ATOM 500 CB VAL A 109 -1.053 4.261 66.817 1.00 48.08 C ATOM 501 CG1 VAL A 109 0.142 4.582 67.724 1.00 50.14 C ATOM 502 CG2 VAL A 109 -0.716 3.051 65.974 1.00 47.93 C ATOM 0 H VAL A 109 -3.515 3.932 66.144 1.00 49.36 H new ATOM 0 HA VAL A 109 -2.059 3.167 68.185 1.00 48.99 H new ATOM 0 HB VAL A 109 -1.248 5.012 66.235 1.00 48.08 H new ATOM 0 HG11 VAL A 109 0.922 4.766 67.178 1.00 50.14 H new ATOM 0 HG12 VAL A 109 -0.063 5.359 68.267 1.00 50.14 H new ATOM 0 HG13 VAL A 109 0.323 3.824 68.301 1.00 50.14 H new ATOM 0 HG21 VAL A 109 0.060 3.245 65.425 1.00 47.93 H new ATOM 0 HG22 VAL A 109 -0.522 2.297 66.553 1.00 47.93 H new ATOM 0 HG23 VAL A 109 -1.469 2.834 65.403 1.00 47.93 H new ATOM 503 N GLU A 110 -2.127 4.890 69.852 1.00 51.44 N ATOM 504 CA GLU A 110 -2.229 5.791 70.971 1.00 53.43 C ATOM 505 C GLU A 110 -2.126 7.294 70.669 1.00 54.67 C ATOM 506 O GLU A 110 -1.132 7.767 70.110 1.00 54.16 O ATOM 507 CB GLU A 110 -1.185 5.399 71.995 1.00 53.80 C ATOM 508 CG GLU A 110 -1.536 5.780 73.396 1.00 55.78 C ATOM 509 CD GLU A 110 -1.079 4.719 74.363 1.00 57.58 C ATOM 510 OE1 GLU A 110 0.137 4.412 74.387 1.00 56.56 O ATOM 511 OE2 GLU A 110 -1.940 4.187 75.096 1.00 58.65 O ATOM 0 H GLU A 110 -1.766 4.140 70.069 1.00 51.44 H new ATOM 0 HA GLU A 110 -3.137 5.688 71.297 1.00 53.43 H new ATOM 0 HB2 GLU A 110 -1.050 4.439 71.955 1.00 53.80 H new ATOM 0 HB3 GLU A 110 -0.341 5.814 71.758 1.00 53.80 H new ATOM 0 HG2 GLU A 110 -1.122 6.628 73.619 1.00 55.78 H new ATOM 0 HG3 GLU A 110 -2.495 5.903 73.473 1.00 55.78 H new ATOM 512 N SER A 111 -3.185 7.990 71.062 1.00 56.70 N ATOM 513 CA SER A 111 -3.359 9.419 70.925 1.00 58.51 C ATOM 514 C SER A 111 -3.148 9.905 69.489 1.00 58.62 C ATOM 515 O SER A 111 -2.563 10.980 69.267 1.00 58.83 O ATOM 516 CB SER A 111 -2.436 10.202 71.893 1.00 60.04 C ATOM 517 OG SER A 111 -2.786 11.566 71.880 1.00 61.14 O ATOM 0 H SER A 111 -3.860 7.613 71.438 1.00 56.70 H new ATOM 0 HA SER A 111 -4.282 9.598 71.162 1.00 58.51 H new ATOM 0 HB2 SER A 111 -2.518 9.846 72.792 1.00 60.04 H new ATOM 0 HB3 SER A 111 -1.509 10.094 71.629 1.00 60.04 H new ATOM 0 HG SER A 111 -2.846 11.833 71.086 1.00 61.14 H new ATOM 518 N CYS A 112 -3.500 9.059 68.500 1.00 58.56 N ATOM 519 CA CYS A 112 -3.362 9.555 67.153 1.00 58.88 C ATOM 520 C CYS A 112 -4.788 9.513 66.640 1.00 57.80 C ATOM 521 O CYS A 112 -5.310 8.427 66.319 1.00 57.68 O ATOM 522 CB CYS A 112 -2.420 8.715 66.310 1.00 59.97 C ATOM 523 SG CYS A 112 -2.449 9.344 64.585 1.00 63.85 S ATOM 0 H CYS A 112 -3.797 8.257 68.591 1.00 58.56 H new ATOM 0 HA CYS A 112 -2.965 10.439 67.114 1.00 58.88 H new ATOM 0 HB2 CYS A 112 -1.520 8.758 66.668 1.00 59.97 H new ATOM 0 HB3 CYS A 112 -2.690 7.783 66.332 1.00 59.97 H new ATOM 524 N ASP A 113 -5.363 10.702 66.557 1.00 57.89 N ATOM 525 CA ASP A 113 -6.736 10.981 66.197 1.00 58.19 C ATOM 526 C ASP A 113 -7.131 10.829 64.717 1.00 57.14 C ATOM 527 O ASP A 113 -8.305 10.998 64.367 1.00 56.91 O ATOM 528 CB ASP A 113 -7.025 12.402 66.634 1.00 61.66 C ATOM 529 CG ASP A 113 -6.712 12.622 68.104 1.00 65.83 C ATOM 530 OD1 ASP A 113 -5.569 12.392 68.560 1.00 67.93 O ATOM 531 OD2 ASP A 113 -7.655 13.008 68.823 1.00 68.92 O ATOM 0 H ASP A 113 -4.923 11.422 66.724 1.00 57.89 H new ATOM 0 HA ASP A 113 -7.264 10.301 66.643 1.00 58.19 H new ATOM 0 HB2 ASP A 113 -6.501 13.017 66.097 1.00 61.66 H new ATOM 0 HB3 ASP A 113 -7.959 12.606 66.469 1.00 61.66 H new ATOM 532 N ARG A 114 -6.201 10.382 63.876 1.00 56.37 N ATOM 533 CA ARG A 114 -6.497 10.269 62.438 1.00 55.52 C ATOM 534 C ARG A 114 -7.541 9.248 61.988 1.00 54.78 C ATOM 535 O ARG A 114 -7.425 8.032 62.199 1.00 53.97 O ATOM 536 CB ARG A 114 -5.216 10.070 61.619 1.00 56.82 C ATOM 537 CG ARG A 114 -4.143 11.096 61.922 1.00 58.14 C ATOM 538 CD ARG A 114 -3.518 11.636 60.659 1.00 58.43 C ATOM 539 NE ARG A 114 -4.441 12.475 59.899 1.00 60.77 N ATOM 540 CZ ARG A 114 -4.048 13.441 59.072 1.00 61.51 C ATOM 541 NH1 ARG A 114 -2.753 13.686 58.903 1.00 64.22 N ATOM 542 NH2 ARG A 114 -4.930 14.179 58.409 1.00 60.35 N ATOM 0 H ARG A 114 -5.408 10.142 64.105 1.00 56.37 H new ATOM 0 HA ARG A 114 -6.917 11.126 62.262 1.00 55.52 H new ATOM 0 HB2 ARG A 114 -4.864 9.183 61.792 1.00 56.82 H new ATOM 0 HB3 ARG A 114 -5.434 10.109 60.675 1.00 56.82 H new ATOM 0 HG2 ARG A 114 -4.527 11.826 62.432 1.00 58.14 H new ATOM 0 HG3 ARG A 114 -3.457 10.693 62.477 1.00 58.14 H new ATOM 0 HD2 ARG A 114 -2.728 12.151 60.886 1.00 58.43 H new ATOM 0 HD3 ARG A 114 -3.225 10.897 60.104 1.00 58.43 H new ATOM 0 HE ARG A 114 -5.285 12.337 59.991 1.00 60.77 H new ATOM 0 HH11 ARG A 114 -2.168 13.220 59.328 1.00 64.22 H new ATOM 0 HH12 ARG A 114 -2.500 14.310 58.369 1.00 64.22 H new ATOM 0 HH21 ARG A 114 -5.772 14.037 58.510 1.00 60.35 H new ATOM 0 HH22 ARG A 114 -4.659 14.799 57.878 1.00 60.35 H new ATOM 543 N ARG A 115 -8.564 9.784 61.336 1.00 53.77 N ATOM 544 CA ARG A 115 -9.643 8.989 60.774 1.00 51.58 C ATOM 545 C ARG A 115 -9.478 9.090 59.250 1.00 50.38 C ATOM 546 O ARG A 115 -9.151 10.156 58.725 1.00 50.59 O ATOM 547 CB ARG A 115 -11.011 9.553 61.190 1.00 53.80 C ATOM 548 CG ARG A 115 -11.395 9.347 62.661 1.00 56.23 C ATOM 549 CD ARG A 115 -12.372 8.181 62.813 1.00 58.63 C ATOM 550 NE ARG A 115 -12.716 7.807 64.191 1.00 60.62 N ATOM 551 CZ ARG A 115 -11.870 7.762 65.222 1.00 62.93 C ATOM 552 NH1 ARG A 115 -10.591 8.088 65.083 1.00 63.24 N ATOM 553 NH2 ARG A 115 -12.282 7.271 66.384 1.00 65.25 N ATOM 0 H ARG A 115 -8.651 10.630 61.206 1.00 53.77 H new ATOM 0 HA ARG A 115 -9.605 8.072 61.087 1.00 51.58 H new ATOM 0 HB2 ARG A 115 -11.022 10.504 61.000 1.00 53.80 H new ATOM 0 HB3 ARG A 115 -11.693 9.145 60.634 1.00 53.80 H new ATOM 0 HG2 ARG A 115 -10.598 9.176 63.186 1.00 56.23 H new ATOM 0 HG3 ARG A 115 -11.797 10.158 63.011 1.00 56.23 H new ATOM 0 HD2 ARG A 115 -13.191 8.404 62.343 1.00 58.63 H new ATOM 0 HD3 ARG A 115 -11.994 7.405 62.371 1.00 58.63 H new ATOM 0 HE ARG A 115 -13.536 7.598 64.347 1.00 60.62 H new ATOM 0 HH11 ARG A 115 -10.291 8.335 64.316 1.00 63.24 H new ATOM 0 HH12 ARG A 115 -10.062 8.052 65.760 1.00 63.24 H new ATOM 0 HH21 ARG A 115 -13.089 6.985 66.468 1.00 65.25 H new ATOM 0 HH22 ARG A 115 -11.742 7.239 67.053 1.00 65.25 H new ATOM 554 N PHE A 116 -9.629 7.965 58.559 1.00 47.50 N ATOM 555 CA PHE A 116 -9.514 7.909 57.104 1.00 44.03 C ATOM 556 C PHE A 116 -10.802 7.320 56.567 1.00 43.57 C ATOM 557 O PHE A 116 -11.494 6.589 57.276 1.00 44.27 O ATOM 558 CB PHE A 116 -8.338 7.022 56.688 1.00 42.39 C ATOM 559 CG PHE A 116 -7.007 7.561 57.093 1.00 39.87 C ATOM 560 CD1 PHE A 116 -6.487 7.281 58.348 1.00 40.52 C ATOM 561 CD2 PHE A 116 -6.288 8.383 56.236 1.00 41.19 C ATOM 562 CE1 PHE A 116 -5.273 7.818 58.749 1.00 42.49 C ATOM 563 CE2 PHE A 116 -5.071 8.926 56.626 1.00 41.48 C ATOM 564 CZ PHE A 116 -4.564 8.645 57.886 1.00 41.91 C ATOM 0 H PHE A 116 -9.803 7.206 58.924 1.00 47.50 H new ATOM 0 HA PHE A 116 -9.360 8.799 56.750 1.00 44.03 H new ATOM 0 HB2 PHE A 116 -8.454 6.141 57.078 1.00 42.39 H new ATOM 0 HB3 PHE A 116 -8.353 6.910 55.725 1.00 42.39 H new ATOM 0 HD1 PHE A 116 -6.958 6.727 58.927 1.00 40.52 H new ATOM 0 HD2 PHE A 116 -6.626 8.572 55.390 1.00 41.19 H new ATOM 0 HE1 PHE A 116 -4.934 7.625 59.593 1.00 42.49 H new ATOM 0 HE2 PHE A 116 -4.598 9.476 56.044 1.00 41.48 H new ATOM 0 HZ PHE A 116 -3.751 9.009 58.153 1.00 41.91 H new ATOM 565 N SER A 117 -11.138 7.649 55.325 1.00 43.59 N ATOM 566 CA SER A 117 -12.357 7.128 54.722 1.00 43.52 C ATOM 567 C SER A 117 -12.044 5.865 53.930 1.00 43.39 C ATOM 568 O SER A 117 -12.782 4.884 53.997 1.00 47.28 O ATOM 569 CB SER A 117 -13.007 8.167 53.815 1.00 42.69 C ATOM 570 OG SER A 117 -12.295 8.282 52.599 1.00 47.27 O ATOM 0 H SER A 117 -10.677 8.169 54.818 1.00 43.59 H new ATOM 0 HA SER A 117 -12.982 6.915 55.433 1.00 43.52 H new ATOM 0 HB2 SER A 117 -13.926 7.916 53.635 1.00 42.69 H new ATOM 0 HB3 SER A 117 -13.030 9.026 54.264 1.00 42.69 H new ATOM 0 HG SER A 117 -11.478 8.391 52.762 1.00 47.27 H new ATOM 571 N ASP A 118 -10.951 5.889 53.177 1.00 41.15 N ATOM 572 CA ASP A 118 -10.555 4.730 52.392 1.00 39.69 C ATOM 573 C ASP A 118 -9.742 3.751 53.254 1.00 38.57 C ATOM 574 O ASP A 118 -8.868 4.162 54.019 1.00 38.40 O ATOM 575 CB ASP A 118 -9.760 5.187 51.170 1.00 40.00 C ATOM 576 CG ASP A 118 -9.364 4.040 50.269 1.00 40.97 C ATOM 577 OD1 ASP A 118 -10.176 3.647 49.405 1.00 41.35 O ATOM 578 OD2 ASP A 118 -8.233 3.537 50.419 1.00 39.97 O ATOM 0 H ASP A 118 -10.426 6.567 53.107 1.00 41.15 H new ATOM 0 HA ASP A 118 -11.347 4.262 52.085 1.00 39.69 H new ATOM 0 HB2 ASP A 118 -10.289 5.823 50.664 1.00 40.00 H new ATOM 0 HB3 ASP A 118 -8.962 5.653 51.464 1.00 40.00 H new ATOM 579 N SER A 119 -10.045 2.460 53.132 1.00 36.99 N ATOM 580 CA SER A 119 -9.362 1.411 53.894 1.00 36.83 C ATOM 581 C SER A 119 -7.861 1.270 53.597 1.00 36.09 C ATOM 582 O SER A 119 -7.054 1.050 54.506 1.00 34.86 O ATOM 583 CB SER A 119 -10.059 0.070 53.663 1.00 37.46 C ATOM 584 OG SER A 119 -9.366 -0.985 54.310 1.00 42.28 O ATOM 0 H SER A 119 -10.655 2.165 52.603 1.00 36.99 H new ATOM 0 HA SER A 119 -9.421 1.683 54.823 1.00 36.83 H new ATOM 0 HB2 SER A 119 -10.969 0.114 53.995 1.00 37.46 H new ATOM 0 HB3 SER A 119 -10.112 -0.110 52.711 1.00 37.46 H new ATOM 0 HG SER A 119 -9.766 -1.710 54.171 1.00 42.28 H new ATOM 585 N SER A 120 -7.496 1.358 52.321 1.00 34.42 N ATOM 586 CA SER A 120 -6.099 1.249 51.913 1.00 32.48 C ATOM 587 C SER A 120 -5.281 2.420 52.450 1.00 32.07 C ATOM 588 O SER A 120 -4.088 2.284 52.707 1.00 33.45 O ATOM 589 CB SER A 120 -5.993 1.200 50.390 1.00 31.37 C ATOM 590 OG SER A 120 -6.709 0.095 49.871 1.00 31.62 O ATOM 0 H SER A 120 -8.047 1.482 51.672 1.00 34.42 H new ATOM 0 HA SER A 120 -5.742 0.427 52.284 1.00 32.48 H new ATOM 0 HB2 SER A 120 -6.340 2.023 50.011 1.00 31.37 H new ATOM 0 HB3 SER A 120 -5.061 1.138 50.128 1.00 31.37 H new ATOM 0 HG SER A 120 -6.535 0.007 49.054 1.00 31.62 H new ATOM 591 N ASN A 121 -5.928 3.570 52.613 1.00 31.41 N ATOM 592 CA ASN A 121 -5.260 4.757 53.128 1.00 30.82 C ATOM 593 C ASN A 121 -4.911 4.608 54.609 1.00 31.38 C ATOM 594 O ASN A 121 -3.957 5.221 55.091 1.00 31.20 O ATOM 595 CB ASN A 121 -6.118 6.002 52.890 1.00 28.15 C ATOM 596 CG ASN A 121 -6.107 6.447 51.441 1.00 25.86 C ATOM 597 OD1 ASN A 121 -5.291 5.981 50.646 1.00 24.61 O ATOM 598 ND2 ASN A 121 -6.995 7.378 51.096 1.00 28.54 N ATOM 0 H ASN A 121 -6.761 3.683 52.429 1.00 31.41 H new ATOM 0 HA ASN A 121 -4.426 4.862 52.644 1.00 30.82 H new ATOM 0 HB2 ASN A 121 -7.031 5.819 53.162 1.00 28.15 H new ATOM 0 HB3 ASN A 121 -5.795 6.725 53.450 1.00 28.15 H new ATOM 0 HD21 ASN A 121 -7.013 7.677 50.290 1.00 28.54 H new ATOM 0 HD22 ASN A 121 -7.550 7.680 51.679 1.00 28.54 H new ATOM 599 N LEU A 122 -5.683 3.795 55.326 1.00 31.48 N ATOM 600 CA LEU A 122 -5.418 3.564 56.739 1.00 32.51 C ATOM 601 C LEU A 122 -4.170 2.714 56.864 1.00 32.96 C ATOM 602 O LEU A 122 -3.258 3.055 57.612 1.00 34.47 O ATOM 603 CB LEU A 122 -6.593 2.860 57.425 1.00 35.28 C ATOM 604 CG LEU A 122 -6.345 2.345 58.856 1.00 37.19 C ATOM 605 CD1 LEU A 122 -5.877 3.468 59.780 1.00 37.69 C ATOM 606 CD2 LEU A 122 -7.605 1.694 59.408 1.00 38.55 C ATOM 0 H LEU A 122 -6.362 3.370 55.013 1.00 31.48 H new ATOM 0 HA LEU A 122 -5.293 4.421 57.176 1.00 32.51 H new ATOM 0 HB2 LEU A 122 -7.343 3.475 57.449 1.00 35.28 H new ATOM 0 HB3 LEU A 122 -6.860 2.108 56.874 1.00 35.28 H new ATOM 0 HG LEU A 122 -5.639 1.681 58.816 1.00 37.19 H new ATOM 0 HD11 LEU A 122 -5.730 3.114 60.671 1.00 37.69 H new ATOM 0 HD12 LEU A 122 -5.049 3.843 59.441 1.00 37.69 H new ATOM 0 HD13 LEU A 122 -6.555 4.161 59.816 1.00 37.69 H new ATOM 0 HD21 LEU A 122 -7.437 1.374 60.308 1.00 38.55 H new ATOM 0 HD22 LEU A 122 -8.324 2.344 59.426 1.00 38.55 H new ATOM 0 HD23 LEU A 122 -7.858 0.948 58.842 1.00 38.55 H new ATOM 607 N THR A 123 -4.137 1.599 56.141 1.00 33.60 N ATOM 608 CA THR A 123 -2.980 0.711 56.177 1.00 35.08 C ATOM 609 C THR A 123 -1.714 1.452 55.715 1.00 35.05 C ATOM 610 O THR A 123 -0.624 1.233 56.253 1.00 33.91 O ATOM 611 CB ATHR A 123 -3.243 -0.550 55.304 0.50 34.67 C ATOM 612 CB BTHR A 123 -3.208 -0.587 55.358 0.50 35.14 C ATOM 613 OG1ATHR A 123 -3.831 -1.578 56.115 0.50 33.17 O ATOM 614 OG1BTHR A 123 -1.985 -1.330 55.280 0.50 38.19 O ATOM 615 CG2ATHR A 123 -1.960 -1.068 54.657 0.50 35.91 C ATOM 616 CG2BTHR A 123 -3.701 -0.280 53.971 0.50 32.24 C ATOM 0 H THR A 123 -4.773 1.339 55.624 1.00 33.60 H new ATOM 0 HA THR A 123 -2.837 0.422 57.092 1.00 35.08 H new ATOM 0 HB ATHR A 123 -3.852 -0.301 54.591 0.50 35.14 H new ATOM 0 HB BTHR A 123 -3.886 -1.113 55.810 0.50 35.14 H new ATOM 0 HG1ATHR A 123 -3.975 -2.259 55.644 0.50 38.19 H new ATOM 0 HG1BTHR A 123 -1.551 -1.231 55.993 0.50 38.19 H new ATOM 0 HG21ATHR A 123 -2.161 -1.852 54.122 0.50 32.24 H new ATOM 0 HG21BTHR A 123 -3.834 -1.108 53.484 0.50 32.24 H new ATOM 0 HG22ATHR A 123 -1.582 -0.378 54.090 0.50 32.24 H new ATOM 0 HG22BTHR A 123 -4.541 0.201 54.025 0.50 32.24 H new ATOM 0 HG23ATHR A 123 -1.321 -1.304 55.348 0.50 32.24 H new ATOM 0 HG23BTHR A 123 -3.046 0.265 53.508 0.50 32.24 H new ATOM 617 N ARG A 124 -1.882 2.360 54.753 1.00 35.23 N ATOM 618 CA ARG A 124 -0.786 3.178 54.234 1.00 32.14 C ATOM 619 C ARG A 124 -0.251 4.049 55.374 1.00 30.38 C ATOM 620 O ARG A 124 0.951 4.113 55.612 1.00 30.91 O ATOM 621 CB ARG A 124 -1.298 4.069 53.098 1.00 30.86 C ATOM 622 CG ARG A 124 -0.265 5.024 52.531 1.00 29.20 C ATOM 623 CD ARG A 124 -0.787 5.738 51.305 1.00 23.67 C ATOM 624 NE ARG A 124 -1.755 6.774 51.639 1.00 27.69 N ATOM 625 CZ ARG A 124 -2.273 7.618 50.753 1.00 28.38 C ATOM 626 NH1 ARG A 124 -1.920 7.540 49.478 1.00 30.91 N ATOM 627 NH2 ARG A 124 -3.120 8.561 51.142 1.00 30.36 N ATOM 0 H ARG A 124 -2.641 2.519 54.381 1.00 35.23 H new ATOM 0 HA ARG A 124 -0.080 2.609 53.890 1.00 32.14 H new ATOM 0 HB2 ARG A 124 -1.626 3.503 52.382 1.00 30.86 H new ATOM 0 HB3 ARG A 124 -2.054 4.584 53.422 1.00 30.86 H new ATOM 0 HG2 ARG A 124 -0.019 5.675 53.206 1.00 29.20 H new ATOM 0 HG3 ARG A 124 0.540 4.534 52.303 1.00 29.20 H new ATOM 0 HD2 ARG A 124 -0.044 6.135 50.824 1.00 23.67 H new ATOM 0 HD3 ARG A 124 -1.199 5.093 50.709 1.00 23.67 H new ATOM 0 HE ARG A 124 -2.006 6.844 52.459 1.00 27.69 H new ATOM 0 HH11 ARG A 124 -1.356 6.943 49.224 1.00 30.91 H new ATOM 0 HH12 ARG A 124 -2.255 8.086 48.905 1.00 30.91 H new ATOM 0 HH21 ARG A 124 -3.337 8.629 51.971 1.00 30.36 H new ATOM 0 HH22 ARG A 124 -3.453 9.105 50.565 1.00 30.36 H new ATOM 628 N HIS A 125 -1.172 4.691 56.085 1.00 29.19 N ATOM 629 CA HIS A 125 -0.855 5.558 57.211 1.00 29.55 C ATOM 630 C HIS A 125 -0.235 4.809 58.393 1.00 30.65 C ATOM 631 O HIS A 125 0.582 5.372 59.126 1.00 28.72 O ATOM 632 CB HIS A 125 -2.126 6.268 57.673 1.00 29.84 C ATOM 633 CG HIS A 125 -1.997 6.943 59.003 1.00 30.03 C ATOM 634 ND1 HIS A 125 -1.546 8.239 59.138 1.00 32.51 N ATOM 635 CD2 HIS A 125 -2.266 6.506 60.255 1.00 28.12 C ATOM 636 CE1 HIS A 125 -1.545 8.571 60.416 1.00 30.14 C ATOM 637 NE2 HIS A 125 -1.977 7.537 61.115 1.00 28.48 N ATOM 0 H HIS A 125 -2.014 4.633 55.922 1.00 29.19 H new ATOM 0 HA HIS A 125 -0.192 6.195 56.901 1.00 29.55 H new ATOM 0 HB2 HIS A 125 -2.376 6.929 57.008 1.00 29.84 H new ATOM 0 HB3 HIS A 125 -2.848 5.622 57.717 1.00 29.84 H new ATOM 0 HD1 HIS A 125 -1.303 8.751 58.491 1.00 32.51 H new ATOM 0 HD2 HIS A 125 -2.587 5.665 60.489 1.00 28.12 H new ATOM 0 HE1 HIS A 125 -1.284 9.393 60.765 1.00 30.14 H new ATOM 638 N ILE A 126 -0.661 3.562 58.598 1.00 32.28 N ATOM 639 CA ILE A 126 -0.158 2.734 59.695 1.00 33.47 C ATOM 640 C ILE A 126 1.342 2.475 59.532 1.00 34.31 C ATOM 641 O ILE A 126 2.074 2.394 60.522 1.00 34.03 O ATOM 642 CB ILE A 126 -0.921 1.381 59.782 1.00 34.03 C ATOM 643 CG1 ILE A 126 -2.379 1.612 60.187 1.00 32.92 C ATOM 644 CG2 ILE A 126 -0.251 0.445 60.783 1.00 34.22 C ATOM 645 CD1 ILE A 126 -2.557 2.144 61.591 1.00 35.64 C ATOM 0 H ILE A 126 -1.249 3.173 58.106 1.00 32.28 H new ATOM 0 HA ILE A 126 -0.308 3.222 60.520 1.00 33.47 H new ATOM 0 HB ILE A 126 -0.898 0.968 58.905 1.00 34.03 H new ATOM 0 HG12 ILE A 126 -2.782 2.235 59.563 1.00 32.92 H new ATOM 0 HG13 ILE A 126 -2.863 0.775 60.105 1.00 32.92 H new ATOM 0 HG21 ILE A 126 -0.741 -0.391 60.822 1.00 34.22 H new ATOM 0 HG22 ILE A 126 0.662 0.272 60.504 1.00 34.22 H new ATOM 0 HG23 ILE A 126 -0.247 0.859 61.660 1.00 34.22 H new ATOM 0 HD11 ILE A 126 -3.502 2.264 61.774 1.00 35.64 H new ATOM 0 HD12 ILE A 126 -2.183 1.514 62.226 1.00 35.64 H new ATOM 0 HD13 ILE A 126 -2.101 2.996 61.675 1.00 35.64 H new ATOM 646 N ARG A 127 1.795 2.382 58.282 1.00 35.14 N ATOM 647 CA ARG A 127 3.208 2.142 57.984 1.00 37.71 C ATOM 648 C ARG A 127 4.130 3.226 58.543 1.00 40.10 C ATOM 649 O ARG A 127 5.339 3.024 58.655 1.00 41.99 O ATOM 650 CB ARG A 127 3.441 2.012 56.479 1.00 38.70 C ATOM 651 CG ARG A 127 3.128 0.652 55.903 1.00 41.18 C ATOM 652 CD ARG A 127 3.814 0.489 54.560 1.00 45.03 C ATOM 653 NE ARG A 127 2.970 -0.214 53.601 1.00 51.43 N ATOM 654 CZ ARG A 127 2.106 0.388 52.788 1.00 55.91 C ATOM 655 NH1 ARG A 127 1.969 1.707 52.818 1.00 59.97 N ATOM 656 NH2 ARG A 127 1.371 -0.326 51.947 1.00 59.95 N ATOM 0 H ARG A 127 1.295 2.456 57.586 1.00 35.14 H new ATOM 0 HA ARG A 127 3.430 1.307 58.424 1.00 37.71 H new ATOM 0 HB2 ARG A 127 2.899 2.675 56.023 1.00 38.70 H new ATOM 0 HB3 ARG A 127 4.368 2.224 56.289 1.00 38.70 H new ATOM 0 HG2 ARG A 127 3.424 -0.042 56.513 1.00 41.18 H new ATOM 0 HG3 ARG A 127 2.169 0.549 55.800 1.00 41.18 H new ATOM 0 HD2 ARG A 127 4.046 1.362 54.207 1.00 45.03 H new ATOM 0 HD3 ARG A 127 4.644 0.001 54.678 1.00 45.03 H new ATOM 0 HE ARG A 127 3.035 -1.070 53.558 1.00 51.43 H new ATOM 0 HH11 ARG A 127 2.440 2.176 53.364 1.00 59.97 H new ATOM 0 HH12 ARG A 127 1.410 2.093 52.291 1.00 59.97 H new ATOM 0 HH21 ARG A 127 1.452 -1.182 51.925 1.00 59.95 H new ATOM 0 HH22 ARG A 127 0.814 0.067 51.423 1.00 59.95 H new ATOM 657 N ILE A 128 3.554 4.376 58.883 1.00 39.68 N ATOM 658 CA ILE A 128 4.308 5.486 59.439 1.00 39.61 C ATOM 659 C ILE A 128 4.713 5.140 60.868 1.00 39.73 C ATOM 660 O ILE A 128 5.887 5.240 61.231 1.00 41.36 O ATOM 661 CB ILE A 128 3.459 6.774 59.441 1.00 41.27 C ATOM 662 CG1 ILE A 128 3.043 7.131 58.008 1.00 41.50 C ATOM 663 CG2 ILE A 128 4.241 7.922 60.066 1.00 44.44 C ATOM 664 CD1 ILE A 128 2.025 8.260 57.918 1.00 41.39 C ATOM 0 H ILE A 128 2.713 4.531 58.796 1.00 39.68 H new ATOM 0 HA ILE A 128 5.096 5.639 58.894 1.00 39.61 H new ATOM 0 HB ILE A 128 2.660 6.621 59.970 1.00 41.27 H new ATOM 0 HG12 ILE A 128 3.834 7.381 57.505 1.00 41.50 H new ATOM 0 HG13 ILE A 128 2.674 6.341 57.583 1.00 41.50 H new ATOM 0 HG21 ILE A 128 3.697 8.725 60.061 1.00 44.44 H new ATOM 0 HG22 ILE A 128 4.474 7.695 60.980 1.00 44.44 H new ATOM 0 HG23 ILE A 128 5.051 8.078 59.555 1.00 44.44 H new ATOM 0 HD11 ILE A 128 1.811 8.429 56.987 1.00 41.39 H new ATOM 0 HD12 ILE A 128 1.219 8.008 58.394 1.00 41.39 H new ATOM 0 HD13 ILE A 128 2.396 9.063 58.315 1.00 41.39 H new ATOM 665 N HIS A 129 3.736 4.696 61.656 1.00 38.34 N ATOM 666 CA HIS A 129 3.954 4.322 63.053 1.00 36.85 C ATOM 667 C HIS A 129 4.833 3.083 63.193 1.00 37.25 C ATOM 668 O HIS A 129 5.714 3.037 64.052 1.00 38.43 O ATOM 669 CB HIS A 129 2.615 4.065 63.751 1.00 36.20 C ATOM 670 CG HIS A 129 1.660 5.215 63.681 1.00 36.35 C ATOM 671 ND1 HIS A 129 1.919 6.435 64.267 1.00 37.06 N ATOM 672 CD2 HIS A 129 0.444 5.330 63.094 1.00 36.21 C ATOM 673 CE1 HIS A 129 0.905 7.254 64.044 1.00 37.80 C ATOM 674 NE2 HIS A 129 -0.003 6.607 63.335 1.00 37.25 N ATOM 0 H HIS A 129 2.922 4.603 61.394 1.00 38.34 H new ATOM 0 HA HIS A 129 4.414 5.066 63.472 1.00 36.85 H new ATOM 0 HB2 HIS A 129 2.198 3.285 63.352 1.00 36.20 H new ATOM 0 HB3 HIS A 129 2.782 3.852 64.682 1.00 36.20 H new ATOM 0 HD1 HIS A 129 2.630 6.633 64.709 1.00 37.06 H new ATOM 0 HD2 HIS A 129 -0.004 4.669 62.617 1.00 36.21 H new ATOM 0 HE1 HIS A 129 0.842 8.135 64.336 1.00 37.80 H new ATOM 675 N THR A 130 4.575 2.072 62.366 1.00 38.06 N ATOM 676 CA THR A 130 5.344 0.831 62.409 1.00 37.42 C ATOM 677 C THR A 130 6.710 0.974 61.743 1.00 37.99 C ATOM 678 O THR A 130 7.563 0.100 61.881 1.00 39.16 O ATOM 679 CB THR A 130 4.592 -0.350 61.742 1.00 35.25 C ATOM 680 OG1 THR A 130 4.425 -0.092 60.342 1.00 37.71 O ATOM 681 CG2 THR A 130 3.237 -0.551 62.377 1.00 34.58 C ATOM 0 H THR A 130 3.955 2.086 61.770 1.00 38.06 H new ATOM 0 HA THR A 130 5.467 0.640 63.352 1.00 37.42 H new ATOM 0 HB THR A 130 5.119 -1.155 61.868 1.00 35.25 H new ATOM 0 HG1 THR A 130 3.881 -0.644 60.018 1.00 37.71 H new ATOM 0 HG21 THR A 130 2.784 -1.293 61.946 1.00 34.58 H new ATOM 0 HG22 THR A 130 3.347 -0.745 63.321 1.00 34.58 H new ATOM 0 HG23 THR A 130 2.708 0.255 62.272 1.00 34.58 H new ATOM 682 N GLY A 131 6.912 2.070 61.017 1.00 37.59 N ATOM 683 CA GLY A 131 8.176 2.283 60.337 1.00 37.55 C ATOM 684 C GLY A 131 8.457 1.300 59.207 1.00 38.49 C ATOM 685 O GLY A 131 9.575 1.255 58.689 1.00 38.87 O ATOM 0 H GLY A 131 6.332 2.696 60.908 1.00 37.59 H new ATOM 0 HA2 GLY A 131 8.190 3.184 59.978 1.00 37.55 H new ATOM 0 HA3 GLY A 131 8.894 2.226 60.987 1.00 37.55 H new ATOM 686 N GLN A 132 7.453 0.512 58.823 1.00 37.18 N ATOM 687 CA GLN A 132 7.601 -0.467 57.749 1.00 36.96 C ATOM 688 C GLN A 132 7.799 0.216 56.390 1.00 38.33 C ATOM 689 O GLN A 132 7.150 1.221 56.086 1.00 37.38 O ATOM 690 CB GLN A 132 6.374 -1.377 57.695 1.00 36.11 C ATOM 691 CG GLN A 132 6.434 -2.435 56.610 1.00 36.49 C ATOM 692 CD GLN A 132 5.096 -3.106 56.385 1.00 38.22 C ATOM 693 OE1 GLN A 132 4.047 -2.510 56.619 1.00 40.02 O ATOM 694 NE2 GLN A 132 5.123 -4.353 55.923 1.00 39.26 N ATOM 0 H GLN A 132 6.670 0.531 59.177 1.00 37.18 H new ATOM 0 HA GLN A 132 8.391 -0.997 57.939 1.00 36.96 H new ATOM 0 HB2 GLN A 132 6.270 -1.815 58.554 1.00 36.11 H new ATOM 0 HB3 GLN A 132 5.584 -0.831 57.557 1.00 36.11 H new ATOM 0 HG2 GLN A 132 6.733 -2.029 55.781 1.00 36.49 H new ATOM 0 HG3 GLN A 132 7.093 -3.105 56.851 1.00 36.49 H new ATOM 0 HE21 GLN A 132 5.876 -4.739 55.771 1.00 39.26 H new ATOM 0 HE22 GLN A 132 4.387 -4.773 55.777 1.00 39.26 H new ATOM 695 N LYS A 133 8.702 -0.344 55.585 1.00 39.40 N ATOM 696 CA LYS A 133 9.029 0.171 54.250 1.00 37.38 C ATOM 697 C LYS A 133 9.193 -1.025 53.304 1.00 37.17 C ATOM 698 O LYS A 133 10.307 -1.505 53.077 1.00 36.72 O ATOM 699 CB LYS A 133 10.322 0.999 54.308 1.00 35.94 C ATOM 700 CG LYS A 133 10.235 2.196 55.248 1.00 35.84 C ATOM 701 CD LYS A 133 11.539 2.959 55.353 1.00 37.79 C ATOM 702 CE LYS A 133 11.327 4.268 56.105 1.00 39.77 C ATOM 703 NZ LYS A 133 12.533 5.145 56.088 1.00 43.24 N ATOM 0 H LYS A 133 9.150 -1.045 55.801 1.00 39.40 H new ATOM 0 HA LYS A 133 8.320 0.749 53.927 1.00 37.38 H new ATOM 0 HB2 LYS A 133 11.052 0.426 54.591 1.00 35.94 H new ATOM 0 HB3 LYS A 133 10.537 1.312 53.416 1.00 35.94 H new ATOM 0 HG2 LYS A 133 9.539 2.796 54.937 1.00 35.84 H new ATOM 0 HG3 LYS A 133 9.973 1.890 56.130 1.00 35.84 H new ATOM 0 HD2 LYS A 133 12.201 2.419 55.812 1.00 37.79 H new ATOM 0 HD3 LYS A 133 11.887 3.141 54.466 1.00 37.79 H new ATOM 0 HE2 LYS A 133 10.580 4.745 55.712 1.00 39.77 H new ATOM 0 HE3 LYS A 133 11.087 4.073 57.024 1.00 39.77 H new ATOM 0 HZ1 LYS A 133 12.362 5.894 56.537 1.00 43.24 H new ATOM 0 HZ2 LYS A 133 13.215 4.720 56.470 1.00 43.24 H new ATOM 0 HZ3 LYS A 133 12.743 5.346 55.247 1.00 43.24 H new ATOM 704 N PRO A 134 8.068 -1.520 52.746 1.00 36.81 N ATOM 705 CA PRO A 134 7.935 -2.656 51.822 1.00 36.39 C ATOM 706 C PRO A 134 8.594 -2.543 50.445 1.00 36.52 C ATOM 707 O PRO A 134 8.761 -3.548 49.751 1.00 36.16 O ATOM 708 CB PRO A 134 6.415 -2.788 51.659 1.00 35.17 C ATOM 709 CG PRO A 134 5.859 -2.143 52.880 1.00 34.75 C ATOM 710 CD PRO A 134 6.742 -0.946 53.025 1.00 36.55 C ATOM 0 HA PRO A 134 8.405 -3.416 52.199 1.00 36.39 H new ATOM 0 HB2 PRO A 134 6.105 -2.346 50.853 1.00 35.17 H new ATOM 0 HB3 PRO A 134 6.145 -3.717 51.595 1.00 35.17 H new ATOM 0 HG2 PRO A 134 4.928 -1.896 52.769 1.00 34.75 H new ATOM 0 HG3 PRO A 134 5.907 -2.726 53.653 1.00 34.75 H new ATOM 0 HD2 PRO A 134 6.510 -0.243 52.398 1.00 36.55 H new ATOM 0 HD3 PRO A 134 6.691 -0.561 53.914 1.00 36.55 H new ATOM 711 N PHE A 135 8.962 -1.332 50.044 1.00 37.38 N ATOM 712 CA PHE A 135 9.554 -1.135 48.727 1.00 36.33 C ATOM 713 C PHE A 135 10.981 -0.614 48.765 1.00 36.29 C ATOM 714 O PHE A 135 11.270 0.359 49.452 1.00 38.03 O ATOM 715 CB PHE A 135 8.662 -0.198 47.922 1.00 34.03 C ATOM 716 CG PHE A 135 7.213 -0.563 47.985 1.00 33.18 C ATOM 717 CD1 PHE A 135 6.671 -1.466 47.080 1.00 31.32 C ATOM 718 CD2 PHE A 135 6.393 -0.029 48.970 1.00 30.78 C ATOM 719 CE1 PHE A 135 5.333 -1.832 47.155 1.00 29.15 C ATOM 720 CE2 PHE A 135 5.054 -0.390 49.051 1.00 30.69 C ATOM 721 CZ PHE A 135 4.525 -1.294 48.141 1.00 28.93 C ATOM 0 H PHE A 135 8.879 -0.617 50.514 1.00 37.38 H new ATOM 0 HA PHE A 135 9.610 -2.006 48.303 1.00 36.33 H new ATOM 0 HB2 PHE A 135 8.776 0.708 48.250 1.00 34.03 H new ATOM 0 HB3 PHE A 135 8.951 -0.203 46.996 1.00 34.03 H new ATOM 0 HD1 PHE A 135 7.210 -1.830 46.416 1.00 31.32 H new ATOM 0 HD2 PHE A 135 6.744 0.577 49.582 1.00 30.78 H new ATOM 0 HE1 PHE A 135 4.981 -2.438 46.543 1.00 29.15 H new ATOM 0 HE2 PHE A 135 4.513 -0.026 49.714 1.00 30.69 H new ATOM 0 HZ PHE A 135 3.629 -1.538 48.194 1.00 28.93 H new ATOM 722 N GLN A 136 11.862 -1.268 48.009 1.00 35.54 N ATOM 723 CA GLN A 136 13.271 -0.888 47.944 1.00 35.90 C ATOM 724 C GLN A 136 13.670 -0.483 46.523 1.00 36.18 C ATOM 725 O GLN A 136 13.119 -0.992 45.548 1.00 36.65 O ATOM 726 CB GLN A 136 14.150 -2.049 48.422 1.00 36.00 C ATOM 727 CG GLN A 136 15.620 -1.696 48.613 1.00 36.03 C ATOM 728 CD GLN A 136 16.459 -2.882 49.051 1.00 35.96 C ATOM 729 OE1 GLN A 136 16.272 -3.996 48.568 1.00 40.06 O ATOM 730 NE2 GLN A 136 17.399 -2.645 49.959 1.00 34.55 N ATOM 0 H GLN A 136 11.658 -1.945 47.519 1.00 35.54 H new ATOM 0 HA GLN A 136 13.403 -0.123 48.525 1.00 35.90 H new ATOM 0 HB2 GLN A 136 13.798 -2.381 49.263 1.00 36.00 H new ATOM 0 HB3 GLN A 136 14.084 -2.774 47.781 1.00 36.00 H new ATOM 0 HG2 GLN A 136 15.974 -1.344 47.781 1.00 36.03 H new ATOM 0 HG3 GLN A 136 15.695 -0.990 49.274 1.00 36.03 H new ATOM 0 HE21 GLN A 136 17.501 -1.852 50.275 1.00 34.55 H new ATOM 0 HE22 GLN A 136 17.905 -3.285 50.231 1.00 34.55 H new ATOM 731 N CYS A 137 14.610 0.454 46.419 1.00 36.43 N ATOM 732 CA CYS A 137 15.104 0.937 45.130 1.00 34.85 C ATOM 733 C CYS A 137 16.285 0.088 44.680 1.00 35.70 C ATOM 734 O CYS A 137 17.295 0.001 45.376 1.00 36.51 O ATOM 735 CB CYS A 137 15.532 2.399 45.245 1.00 32.79 C ATOM 736 SG CYS A 137 16.393 3.035 43.802 1.00 28.18 S ATOM 0 H CYS A 137 14.981 0.830 47.098 1.00 36.43 H new ATOM 0 HA CYS A 137 14.392 0.868 44.475 1.00 34.85 H new ATOM 0 HB2 CYS A 137 14.745 2.943 45.405 1.00 32.79 H new ATOM 0 HB3 CYS A 137 16.107 2.496 46.020 1.00 32.79 H new ATOM 737 N ARG A 138 16.162 -0.513 43.502 1.00 36.65 N ATOM 738 CA ARG A 138 17.205 -1.377 42.955 1.00 38.19 C ATOM 739 C ARG A 138 18.551 -0.690 42.712 1.00 37.96 C ATOM 740 O ARG A 138 19.592 -1.352 42.696 1.00 37.44 O ATOM 741 CB ARG A 138 16.725 -2.002 41.643 1.00 40.96 C ATOM 742 CG ARG A 138 15.492 -2.874 41.767 1.00 43.40 C ATOM 743 CD ARG A 138 15.059 -3.405 40.407 1.00 45.24 C ATOM 744 NE ARG A 138 16.111 -4.177 39.746 1.00 46.96 N ATOM 745 CZ ARG A 138 16.155 -5.507 39.696 1.00 47.90 C ATOM 746 NH1 ARG A 138 15.204 -6.232 40.272 1.00 46.51 N ATOM 747 NH2 ARG A 138 17.141 -6.112 39.048 1.00 47.77 N ATOM 0 H ARG A 138 15.471 -0.432 42.996 1.00 36.65 H new ATOM 0 HA ARG A 138 17.363 -2.049 43.637 1.00 38.19 H new ATOM 0 HB2 ARG A 138 16.540 -1.291 41.009 1.00 40.96 H new ATOM 0 HB3 ARG A 138 17.446 -2.534 41.270 1.00 40.96 H new ATOM 0 HG2 ARG A 138 15.675 -3.616 42.364 1.00 43.40 H new ATOM 0 HG3 ARG A 138 14.769 -2.363 42.163 1.00 43.40 H new ATOM 0 HD2 ARG A 138 14.273 -3.963 40.516 1.00 45.24 H new ATOM 0 HD3 ARG A 138 14.803 -2.661 39.839 1.00 45.24 H new ATOM 0 HE ARG A 138 16.746 -3.741 39.363 1.00 46.96 H new ATOM 0 HH11 ARG A 138 14.555 -5.843 40.680 1.00 46.51 H new ATOM 0 HH12 ARG A 138 15.237 -7.091 40.237 1.00 46.51 H new ATOM 0 HH21 ARG A 138 17.751 -5.646 38.661 1.00 47.77 H new ATOM 0 HH22 ARG A 138 17.171 -6.971 39.015 1.00 47.77 H new ATOM 748 N ILE A 139 18.525 0.630 42.537 1.00 37.10 N ATOM 749 CA ILE A 139 19.734 1.404 42.252 1.00 35.79 C ATOM 750 C ILE A 139 20.544 1.842 43.470 1.00 36.34 C ATOM 751 O ILE A 139 21.751 1.589 43.532 1.00 36.66 O ATOM 752 CB ILE A 139 19.411 2.637 41.381 1.00 33.65 C ATOM 753 CG1 ILE A 139 18.667 2.200 40.117 1.00 32.31 C ATOM 754 CG2 ILE A 139 20.690 3.347 40.984 1.00 33.89 C ATOM 755 CD1 ILE A 139 18.015 3.339 39.362 1.00 31.16 C ATOM 0 H ILE A 139 17.807 1.102 42.580 1.00 37.10 H new ATOM 0 HA ILE A 139 20.300 0.780 41.772 1.00 35.79 H new ATOM 0 HB ILE A 139 18.854 3.242 41.895 1.00 33.65 H new ATOM 0 HG12 ILE A 139 19.289 1.747 39.527 1.00 32.31 H new ATOM 0 HG13 ILE A 139 17.986 1.554 40.361 1.00 32.31 H new ATOM 0 HG21 ILE A 139 20.475 4.119 40.438 1.00 33.89 H new ATOM 0 HG22 ILE A 139 21.161 3.636 41.781 1.00 33.89 H new ATOM 0 HG23 ILE A 139 21.254 2.740 40.479 1.00 33.89 H new ATOM 0 HD11 ILE A 139 17.564 2.991 38.577 1.00 31.16 H new ATOM 0 HD12 ILE A 139 17.369 3.780 39.936 1.00 31.16 H new ATOM 0 HD13 ILE A 139 18.693 3.977 39.089 1.00 31.16 H new ATOM 756 N CYS A 140 19.898 2.513 44.422 1.00 36.16 N ATOM 757 CA CYS A 140 20.594 2.974 45.621 1.00 34.34 C ATOM 758 C CYS A 140 20.338 2.109 46.854 1.00 33.73 C ATOM 759 O CYS A 140 20.996 2.288 47.882 1.00 31.60 O ATOM 760 CB CYS A 140 20.271 4.445 45.919 1.00 33.45 C ATOM 761 SG CYS A 140 18.631 4.794 46.568 1.00 34.62 S ATOM 0 H CYS A 140 19.061 2.710 44.393 1.00 36.16 H new ATOM 0 HA CYS A 140 21.539 2.889 45.421 1.00 34.34 H new ATOM 0 HB2 CYS A 140 20.925 4.776 46.554 1.00 33.45 H new ATOM 0 HB3 CYS A 140 20.388 4.953 45.101 1.00 33.45 H new ATOM 762 N MET A 141 19.402 1.167 46.735 1.00 33.11 N ATOM 763 CA MET A 141 19.049 0.244 47.817 1.00 35.90 C ATOM 764 C MET A 141 18.317 0.886 48.997 1.00 37.45 C ATOM 765 O MET A 141 18.262 0.315 50.089 1.00 37.32 O ATOM 766 CB MET A 141 20.293 -0.502 48.317 1.00 37.99 C ATOM 767 CG MET A 141 20.960 -1.382 47.275 1.00 40.44 C ATOM 768 SD MET A 141 20.432 -3.094 47.375 1.00 48.72 S ATOM 769 CE MET A 141 18.904 -3.064 46.475 1.00 40.71 C ATOM 0 H MET A 141 18.948 1.044 46.015 1.00 33.11 H new ATOM 0 HA MET A 141 18.417 -0.377 47.422 1.00 35.90 H new ATOM 0 HB2 MET A 141 20.939 0.147 48.637 1.00 37.99 H new ATOM 0 HB3 MET A 141 20.043 -1.052 49.076 1.00 37.99 H new ATOM 0 HG2 MET A 141 20.761 -1.037 46.390 1.00 40.44 H new ATOM 0 HG3 MET A 141 21.922 -1.337 47.387 1.00 40.44 H new ATOM 0 HE1 MET A 141 18.542 -3.962 46.421 1.00 40.71 H new ATOM 0 HE2 MET A 141 18.271 -2.488 46.931 1.00 40.71 H new ATOM 0 HE3 MET A 141 19.062 -2.726 45.580 1.00 40.71 H new ATOM 770 N ARG A 142 17.746 2.067 48.775 1.00 38.36 N ATOM 771 CA ARG A 142 17.016 2.768 49.824 1.00 37.46 C ATOM 772 C ARG A 142 15.591 2.224 49.955 1.00 38.09 C ATOM 773 O ARG A 142 14.997 1.770 48.977 1.00 37.52 O ATOM 774 CB ARG A 142 16.977 4.267 49.529 1.00 38.20 C ATOM 775 CG ARG A 142 16.246 5.078 50.578 1.00 37.75 C ATOM 776 CD ARG A 142 15.949 6.450 50.058 1.00 41.76 C ATOM 777 NE ARG A 142 16.776 7.483 50.667 1.00 45.28 N ATOM 778 CZ ARG A 142 16.288 8.621 51.151 1.00 44.45 C ATOM 779 NH1 ARG A 142 14.985 8.865 51.097 1.00 45.14 N ATOM 780 NH2 ARG A 142 17.100 9.512 51.691 1.00 45.84 N ATOM 0 H ARG A 142 17.771 2.480 48.021 1.00 38.36 H new ATOM 0 HA ARG A 142 17.479 2.621 50.664 1.00 37.46 H new ATOM 0 HB2 ARG A 142 17.886 4.597 49.453 1.00 38.20 H new ATOM 0 HB3 ARG A 142 16.551 4.408 48.669 1.00 38.20 H new ATOM 0 HG2 ARG A 142 15.420 4.632 50.823 1.00 37.75 H new ATOM 0 HG3 ARG A 142 16.785 5.139 51.382 1.00 37.75 H new ATOM 0 HD2 ARG A 142 16.082 6.462 49.097 1.00 41.76 H new ATOM 0 HD3 ARG A 142 15.015 6.655 50.218 1.00 41.76 H new ATOM 0 HE ARG A 142 17.624 7.350 50.716 1.00 45.28 H new ATOM 0 HH11 ARG A 142 14.453 8.286 50.748 1.00 45.14 H new ATOM 0 HH12 ARG A 142 14.672 9.602 51.411 1.00 45.14 H new ATOM 0 HH21 ARG A 142 17.945 9.356 51.730 1.00 45.84 H new ATOM 0 HH22 ARG A 142 16.784 10.248 52.004 1.00 45.84 H new ATOM 781 N ASN A 143 15.048 2.279 51.168 1.00 38.26 N ATOM 782 CA ASN A 143 13.698 1.792 51.431 1.00 37.12 C ATOM 783 C ASN A 143 12.658 2.907 51.560 1.00 36.03 C ATOM 784 O ASN A 143 12.908 3.952 52.161 1.00 35.61 O ATOM 785 CB ASN A 143 13.694 0.916 52.682 1.00 37.01 C ATOM 786 CG ASN A 143 14.571 -0.302 52.532 1.00 37.06 C ATOM 787 OD1 ASN A 143 14.239 -1.232 51.798 1.00 36.83 O ATOM 788 ND2 ASN A 143 15.715 -0.294 53.204 1.00 38.09 N ATOM 0 H ASN A 143 15.450 2.598 51.858 1.00 38.26 H new ATOM 0 HA ASN A 143 13.438 1.269 50.657 1.00 37.12 H new ATOM 0 HB2 ASN A 143 13.997 1.439 53.441 1.00 37.01 H new ATOM 0 HB3 ASN A 143 12.786 0.636 52.875 1.00 37.01 H new ATOM 0 HD21 ASN A 143 16.258 -0.957 53.136 1.00 38.09 H new ATOM 0 HD22 ASN A 143 15.913 0.374 53.708 1.00 38.09 H new ATOM 789 N PHE A 144 11.487 2.666 50.982 1.00 36.10 N ATOM 790 CA PHE A 144 10.392 3.624 51.009 1.00 36.23 C ATOM 791 C PHE A 144 9.123 2.969 51.528 1.00 35.64 C ATOM 792 O PHE A 144 8.920 1.762 51.361 1.00 34.75 O ATOM 793 CB PHE A 144 10.138 4.185 49.608 1.00 36.06 C ATOM 794 CG PHE A 144 11.281 4.972 49.062 1.00 34.56 C ATOM 795 CD1 PHE A 144 12.286 4.343 48.341 1.00 33.21 C ATOM 796 CD2 PHE A 144 11.363 6.341 49.282 1.00 34.76 C ATOM 797 CE1 PHE A 144 13.356 5.068 47.849 1.00 33.63 C ATOM 798 CE2 PHE A 144 12.430 7.075 48.793 1.00 33.76 C ATOM 799 CZ PHE A 144 13.426 6.439 48.077 1.00 34.62 C ATOM 0 H PHE A 144 11.305 1.938 50.561 1.00 36.10 H new ATOM 0 HA PHE A 144 10.641 4.349 51.603 1.00 36.23 H new ATOM 0 HB2 PHE A 144 9.943 3.451 49.005 1.00 36.06 H new ATOM 0 HB3 PHE A 144 9.349 4.749 49.632 1.00 36.06 H new ATOM 0 HD1 PHE A 144 12.240 3.427 48.187 1.00 33.21 H new ATOM 0 HD2 PHE A 144 10.693 6.770 49.764 1.00 34.76 H new ATOM 0 HE1 PHE A 144 14.027 4.641 47.367 1.00 33.63 H new ATOM 0 HE2 PHE A 144 12.476 7.991 48.946 1.00 33.76 H new ATOM 0 HZ PHE A 144 14.145 6.928 47.747 1.00 34.62 H new ATOM 800 N SER A 145 8.265 3.781 52.140 1.00 34.00 N ATOM 801 CA SER A 145 7.007 3.301 52.694 1.00 34.61 C ATOM 802 C SER A 145 5.971 3.014 51.617 1.00 32.78 C ATOM 803 O SER A 145 5.111 2.145 51.788 1.00 33.43 O ATOM 804 CB SER A 145 6.440 4.332 53.674 1.00 37.88 C ATOM 805 OG SER A 145 6.142 5.558 53.022 1.00 41.87 O ATOM 0 H SER A 145 8.397 4.624 52.245 1.00 34.00 H new ATOM 0 HA SER A 145 7.198 2.468 53.153 1.00 34.61 H new ATOM 0 HB2 SER A 145 5.636 3.980 54.087 1.00 37.88 H new ATOM 0 HB3 SER A 145 7.079 4.490 54.386 1.00 37.88 H new ATOM 0 HG SER A 145 6.518 5.575 52.271 1.00 41.87 H new ATOM 806 N ARG A 146 6.084 3.723 50.498 1.00 30.59 N ATOM 807 CA ARG A 146 5.131 3.593 49.403 1.00 27.78 C ATOM 808 C ARG A 146 5.751 3.332 48.033 1.00 27.79 C ATOM 809 O ARG A 146 6.886 3.737 47.761 1.00 26.95 O ATOM 810 CB ARG A 146 4.269 4.853 49.363 1.00 26.79 C ATOM 811 CG ARG A 146 3.456 5.061 50.625 1.00 21.21 C ATOM 812 CD ARG A 146 3.057 6.490 50.801 1.00 21.71 C ATOM 813 NE ARG A 146 2.431 7.033 49.602 1.00 26.02 N ATOM 814 CZ ARG A 146 1.599 8.070 49.601 1.00 27.49 C ATOM 815 NH1 ARG A 146 1.286 8.674 50.739 1.00 27.05 N ATOM 816 NH2 ARG A 146 1.099 8.522 48.458 1.00 26.88 N ATOM 0 H ARG A 146 6.713 4.291 50.353 1.00 30.59 H new ATOM 0 HA ARG A 146 4.603 2.801 49.587 1.00 27.78 H new ATOM 0 HB2 ARG A 146 4.840 5.624 49.223 1.00 26.79 H new ATOM 0 HB3 ARG A 146 3.668 4.803 48.603 1.00 26.79 H new ATOM 0 HG2 ARG A 146 2.662 4.505 50.593 1.00 21.21 H new ATOM 0 HG3 ARG A 146 3.973 4.773 51.394 1.00 21.21 H new ATOM 0 HD2 ARG A 146 2.442 6.564 51.548 1.00 21.71 H new ATOM 0 HD3 ARG A 146 3.839 7.018 51.024 1.00 21.71 H new ATOM 0 HE ARG A 146 2.611 6.659 48.849 1.00 26.02 H new ATOM 0 HH11 ARG A 146 1.621 8.395 51.480 1.00 27.05 H new ATOM 0 HH12 ARG A 146 0.748 9.345 50.736 1.00 27.05 H new ATOM 0 HH21 ARG A 146 1.313 8.144 47.716 1.00 26.88 H new ATOM 0 HH22 ARG A 146 0.561 9.193 48.459 1.00 26.88 H new ATOM 817 N SER A 147 4.984 2.653 47.178 1.00 26.87 N ATOM 818 CA SER A 147 5.413 2.302 45.823 1.00 25.64 C ATOM 819 C SER A 147 5.388 3.484 44.861 1.00 23.25 C ATOM 820 O SER A 147 6.194 3.561 43.940 1.00 23.92 O ATOM 821 CB SER A 147 4.551 1.163 45.265 1.00 25.53 C ATOM 822 OG SER A 147 3.177 1.510 45.264 1.00 26.18 O ATOM 0 H SER A 147 4.191 2.381 47.371 1.00 26.87 H new ATOM 0 HA SER A 147 6.336 2.013 45.897 1.00 25.64 H new ATOM 0 HB2 SER A 147 4.834 0.953 44.361 1.00 25.53 H new ATOM 0 HB3 SER A 147 4.684 0.363 45.797 1.00 25.53 H new ATOM 0 HG SER A 147 2.836 1.304 44.524 1.00 26.18 H new ATOM 823 N ASP A 148 4.448 4.395 45.066 1.00 23.28 N ATOM 824 CA ASP A 148 4.334 5.569 44.213 1.00 25.69 C ATOM 825 C ASP A 148 5.465 6.574 44.448 1.00 26.08 C ATOM 826 O ASP A 148 5.848 7.310 43.540 1.00 27.54 O ATOM 827 CB ASP A 148 2.951 6.221 44.359 1.00 25.21 C ATOM 828 CG ASP A 148 2.563 6.498 45.806 1.00 28.16 C ATOM 829 OD1 ASP A 148 3.244 6.036 46.747 1.00 25.71 O ATOM 830 OD2 ASP A 148 1.542 7.187 45.998 1.00 32.13 O ATOM 0 H ASP A 148 3.864 4.352 45.696 1.00 23.28 H new ATOM 0 HA ASP A 148 4.426 5.267 43.296 1.00 25.69 H new ATOM 0 HB2 ASP A 148 2.940 7.054 43.863 1.00 25.21 H new ATOM 0 HB3 ASP A 148 2.284 5.643 43.957 1.00 25.21 H new ATOM 831 N HIS A 149 5.992 6.596 45.669 1.00 27.46 N ATOM 832 CA HIS A 149 7.103 7.473 46.029 1.00 26.40 C ATOM 833 C HIS A 149 8.402 6.832 45.560 1.00 26.27 C ATOM 834 O HIS A 149 9.407 7.513 45.345 1.00 25.29 O ATOM 835 CB HIS A 149 7.138 7.702 47.537 1.00 24.44 C ATOM 836 CG HIS A 149 6.032 8.575 48.035 1.00 23.75 C ATOM 837 ND1 HIS A 149 5.272 9.359 47.194 1.00 24.29 N ATOM 838 CD2 HIS A 149 5.559 8.794 49.283 1.00 21.57 C ATOM 839 CE1 HIS A 149 4.377 10.022 47.903 1.00 22.11 C ATOM 840 NE2 HIS A 149 4.530 9.698 49.174 1.00 21.34 N ATOM 0 H HIS A 149 5.714 6.101 46.315 1.00 27.46 H new ATOM 0 HA HIS A 149 6.989 8.335 45.600 1.00 26.40 H new ATOM 0 HB2 HIS A 149 7.091 6.844 47.988 1.00 24.44 H new ATOM 0 HB3 HIS A 149 7.989 8.102 47.776 1.00 24.44 H new ATOM 0 HD2 HIS A 149 5.872 8.405 50.068 1.00 21.57 H new ATOM 0 HE1 HIS A 149 3.746 10.616 47.565 1.00 22.11 H new ATOM 0 HE2 HIS A 149 4.062 10.003 49.827 1.00 21.34 H new ATOM 841 N LEU A 150 8.376 5.510 45.426 1.00 27.29 N ATOM 842 CA LEU A 150 9.529 4.769 44.947 1.00 28.31 C ATOM 843 C LEU A 150 9.624 5.004 43.444 1.00 29.58 C ATOM 844 O LEU A 150 10.711 5.231 42.925 1.00 32.65 O ATOM 845 CB LEU A 150 9.392 3.269 45.247 1.00 27.23 C ATOM 846 CG LEU A 150 10.472 2.356 44.649 1.00 27.23 C ATOM 847 CD1 LEU A 150 11.853 2.751 45.150 1.00 23.47 C ATOM 848 CD2 LEU A 150 10.174 0.907 44.983 1.00 26.75 C ATOM 0 H LEU A 150 7.692 5.022 45.610 1.00 27.29 H new ATOM 0 HA LEU A 150 10.332 5.074 45.398 1.00 28.31 H new ATOM 0 HB2 LEU A 150 9.391 3.150 46.210 1.00 27.23 H new ATOM 0 HB3 LEU A 150 8.528 2.971 44.923 1.00 27.23 H new ATOM 0 HG LEU A 150 10.464 2.460 43.685 1.00 27.23 H new ATOM 0 HD11 LEU A 150 12.519 2.163 44.761 1.00 23.47 H new ATOM 0 HD12 LEU A 150 12.041 3.667 44.892 1.00 23.47 H new ATOM 0 HD13 LEU A 150 11.881 2.675 46.117 1.00 23.47 H new ATOM 0 HD21 LEU A 150 10.861 0.339 44.601 1.00 26.75 H new ATOM 0 HD22 LEU A 150 10.159 0.793 45.946 1.00 26.75 H new ATOM 0 HD23 LEU A 150 9.311 0.661 44.616 1.00 26.75 H new ATOM 849 N THR A 151 8.479 4.994 42.760 1.00 29.30 N ATOM 850 CA THR A 151 8.435 5.209 41.313 1.00 28.97 C ATOM 851 C THR A 151 9.031 6.565 40.944 1.00 29.55 C ATOM 852 O THR A 151 9.812 6.668 39.999 1.00 30.12 O ATOM 853 CB THR A 151 6.988 5.145 40.757 1.00 29.45 C ATOM 854 OG1 THR A 151 6.400 3.874 41.066 1.00 32.82 O ATOM 855 CG2 THR A 151 6.987 5.331 39.248 1.00 26.87 C ATOM 0 H THR A 151 7.709 4.863 43.120 1.00 29.30 H new ATOM 0 HA THR A 151 8.958 4.495 40.916 1.00 28.97 H new ATOM 0 HB THR A 151 6.474 5.857 41.169 1.00 29.45 H new ATOM 0 HG1 THR A 151 6.343 3.786 41.900 1.00 32.82 H new ATOM 0 HG21 THR A 151 6.076 5.288 38.917 1.00 26.87 H new ATOM 0 HG22 THR A 151 7.370 6.194 39.028 1.00 26.87 H new ATOM 0 HG23 THR A 151 7.514 4.629 38.835 1.00 26.87 H new ATOM 856 N THR A 152 8.657 7.600 41.693 1.00 28.72 N ATOM 857 CA THR A 152 9.159 8.945 41.439 1.00 27.32 C ATOM 858 C THR A 152 10.608 9.101 41.903 1.00 28.85 C ATOM 859 O THR A 152 11.370 9.874 41.319 1.00 28.65 O ATOM 860 CB THR A 152 8.255 10.023 42.075 1.00 25.81 C ATOM 861 OG1 THR A 152 8.186 9.836 43.496 1.00 25.81 O ATOM 862 CG2 THR A 152 6.857 9.940 41.488 1.00 25.07 C ATOM 0 H THR A 152 8.111 7.542 42.355 1.00 28.72 H new ATOM 0 HA THR A 152 9.140 9.077 40.478 1.00 27.32 H new ATOM 0 HB THR A 152 8.634 10.896 41.885 1.00 25.81 H new ATOM 0 HG1 THR A 152 8.587 9.128 43.705 1.00 25.81 H new ATOM 0 HG21 THR A 152 6.295 10.620 41.892 1.00 25.07 H new ATOM 0 HG22 THR A 152 6.899 10.084 40.530 1.00 25.07 H new ATOM 0 HG23 THR A 152 6.482 9.063 41.667 1.00 25.07 H new ATOM 863 N HIS A 153 10.992 8.355 42.938 1.00 29.08 N ATOM 864 CA HIS A 153 12.364 8.390 43.443 1.00 29.89 C ATOM 865 C HIS A 153 13.346 7.841 42.403 1.00 31.12 C ATOM 866 O HIS A 153 14.431 8.375 42.235 1.00 33.91 O ATOM 867 CB HIS A 153 12.503 7.576 44.736 1.00 27.89 C ATOM 868 CG HIS A 153 13.918 7.195 45.056 1.00 26.96 C ATOM 869 ND1 HIS A 153 14.837 8.090 45.556 1.00 28.78 N ATOM 870 CD2 HIS A 153 14.578 6.021 44.918 1.00 25.92 C ATOM 871 CE1 HIS A 153 16.002 7.488 45.713 1.00 25.24 C ATOM 872 NE2 HIS A 153 15.872 6.230 45.333 1.00 26.12 N ATOM 0 H HIS A 153 10.471 7.820 43.363 1.00 29.08 H new ATOM 0 HA HIS A 153 12.574 9.319 43.628 1.00 29.89 H new ATOM 0 HB2 HIS A 153 12.140 8.090 45.474 1.00 27.89 H new ATOM 0 HB3 HIS A 153 11.968 6.770 44.661 1.00 27.89 H new ATOM 0 HD1 HIS A 153 14.677 8.915 45.738 1.00 28.78 H new ATOM 0 HD2 HIS A 153 14.222 5.222 44.601 1.00 25.92 H new ATOM 0 HE1 HIS A 153 16.780 7.882 46.036 1.00 25.24 H new ATOM 873 N ILE A 154 12.968 6.759 41.730 1.00 31.81 N ATOM 874 CA ILE A 154 13.810 6.129 40.708 1.00 32.42 C ATOM 875 C ILE A 154 14.182 7.091 39.574 1.00 32.61 C ATOM 876 O ILE A 154 15.247 6.963 38.964 1.00 33.07 O ATOM 877 CB ILE A 154 13.107 4.888 40.111 1.00 32.35 C ATOM 878 CG1 ILE A 154 12.780 3.892 41.223 1.00 33.06 C ATOM 879 CG2 ILE A 154 13.993 4.219 39.075 1.00 30.86 C ATOM 880 CD1 ILE A 154 11.492 3.150 40.998 1.00 35.31 C ATOM 0 H ILE A 154 12.213 6.365 41.851 1.00 31.81 H new ATOM 0 HA ILE A 154 14.629 5.864 41.155 1.00 32.42 H new ATOM 0 HB ILE A 154 12.287 5.176 39.681 1.00 32.35 H new ATOM 0 HG12 ILE A 154 13.505 3.252 41.299 1.00 33.06 H new ATOM 0 HG13 ILE A 154 12.730 4.366 42.068 1.00 33.06 H new ATOM 0 HG21 ILE A 154 13.537 3.444 38.711 1.00 30.86 H new ATOM 0 HG22 ILE A 154 14.185 4.846 38.360 1.00 30.86 H new ATOM 0 HG23 ILE A 154 14.824 3.940 39.491 1.00 30.86 H new ATOM 0 HD11 ILE A 154 11.339 2.536 41.733 1.00 35.31 H new ATOM 0 HD12 ILE A 154 10.758 3.783 40.948 1.00 35.31 H new ATOM 0 HD13 ILE A 154 11.546 2.652 40.167 1.00 35.31 H new ATOM 881 N ARG A 155 13.315 8.066 39.312 1.00 32.54 N ATOM 882 CA ARG A 155 13.558 9.046 38.257 1.00 32.32 C ATOM 883 C ARG A 155 14.691 10.010 38.594 1.00 33.28 C ATOM 884 O ARG A 155 15.161 10.743 37.724 1.00 33.82 O ATOM 885 CB ARG A 155 12.278 9.813 37.930 1.00 31.59 C ATOM 886 CG ARG A 155 11.150 8.919 37.445 1.00 28.95 C ATOM 887 CD ARG A 155 9.934 9.723 37.053 1.00 29.97 C ATOM 888 NE ARG A 155 8.823 8.850 36.700 1.00 31.23 N ATOM 889 CZ ARG A 155 7.562 9.072 37.050 1.00 32.44 C ATOM 890 NH1 ARG A 155 7.244 10.147 37.759 1.00 33.61 N ATOM 891 NH2 ARG A 155 6.622 8.195 36.726 1.00 34.03 N ATOM 0 H ARG A 155 12.576 8.178 39.737 1.00 32.54 H new ATOM 0 HA ARG A 155 13.839 8.548 37.473 1.00 32.32 H new ATOM 0 HB2 ARG A 155 11.985 10.293 38.720 1.00 31.59 H new ATOM 0 HB3 ARG A 155 12.471 10.477 37.250 1.00 31.59 H new ATOM 0 HG2 ARG A 155 11.453 8.398 36.685 1.00 28.95 H new ATOM 0 HG3 ARG A 155 10.911 8.290 38.144 1.00 28.95 H new ATOM 0 HD2 ARG A 155 9.674 10.302 37.787 1.00 29.97 H new ATOM 0 HD3 ARG A 155 10.150 10.297 36.302 1.00 29.97 H new ATOM 0 HE ARG A 155 8.995 8.147 36.236 1.00 31.23 H new ATOM 0 HH11 ARG A 155 7.856 10.704 37.994 1.00 33.61 H new ATOM 0 HH12 ARG A 155 6.426 10.287 37.984 1.00 33.61 H new ATOM 0 HH21 ARG A 155 6.830 7.484 36.290 1.00 34.03 H new ATOM 0 HH22 ARG A 155 5.805 8.338 36.952 1.00 34.03 H new ATOM 892 N THR A 156 15.119 10.017 39.857 1.00 33.16 N ATOM 893 CA THR A 156 16.224 10.871 40.289 1.00 34.04 C ATOM 894 C THR A 156 17.552 10.220 39.870 1.00 35.05 C ATOM 895 O THR A 156 18.609 10.858 39.887 1.00 34.87 O ATOM 896 CB THR A 156 16.218 11.110 41.828 1.00 32.76 C ATOM 897 OG1 THR A 156 16.513 9.891 42.520 1.00 30.47 O ATOM 898 CG2 THR A 156 14.872 11.634 42.283 1.00 32.02 C ATOM 0 H THR A 156 14.780 9.532 40.481 1.00 33.16 H new ATOM 0 HA THR A 156 16.118 11.736 39.864 1.00 34.04 H new ATOM 0 HB THR A 156 16.899 11.770 42.033 1.00 32.76 H new ATOM 0 HG1 THR A 156 15.877 9.351 42.420 1.00 30.47 H new ATOM 0 HG21 THR A 156 14.887 11.776 43.242 1.00 32.02 H new ATOM 0 HG22 THR A 156 14.683 12.473 41.835 1.00 32.02 H new ATOM 0 HG23 THR A 156 14.182 10.988 42.064 1.00 32.02 H new ATOM 899 N HIS A 157 17.480 8.940 39.505 1.00 34.38 N ATOM 900 CA HIS A 157 18.642 8.178 39.063 1.00 34.29 C ATOM 901 C HIS A 157 18.692 8.146 37.539 1.00 34.47 C ATOM 902 O HIS A 157 19.740 8.384 36.934 1.00 35.60 O ATOM 903 CB HIS A 157 18.568 6.734 39.572 1.00 33.89 C ATOM 904 CG HIS A 157 18.563 6.606 41.062 1.00 33.77 C ATOM 905 ND1 HIS A 157 19.527 7.179 41.864 1.00 36.03 N ATOM 906 CD2 HIS A 157 17.727 5.946 41.897 1.00 33.65 C ATOM 907 CE1 HIS A 157 19.286 6.877 43.126 1.00 35.47 C ATOM 908 NE2 HIS A 157 18.198 6.129 43.174 1.00 35.48 N ATOM 0 H HIS A 157 16.748 8.488 39.508 1.00 34.38 H new ATOM 0 HA HIS A 157 19.435 8.608 39.419 1.00 34.29 H new ATOM 0 HB2 HIS A 157 17.765 6.319 39.220 1.00 33.89 H new ATOM 0 HB3 HIS A 157 19.323 6.238 39.218 1.00 33.89 H new ATOM 0 HD1 HIS A 157 20.184 7.659 41.585 1.00 36.03 H new ATOM 0 HD2 HIS A 157 16.974 5.459 41.652 1.00 33.65 H new ATOM 0 HE1 HIS A 157 19.795 7.145 43.857 1.00 35.47 H new ATOM 909 N THR A 158 17.549 7.841 36.928 1.00 33.95 N ATOM 910 CA THR A 158 17.438 7.736 35.476 1.00 32.89 C ATOM 911 C THR A 158 17.231 9.057 34.744 1.00 33.46 C ATOM 912 O THR A 158 17.436 9.133 33.533 1.00 34.58 O ATOM 913 CB THR A 158 16.305 6.778 35.078 1.00 31.34 C ATOM 914 OG1 THR A 158 15.073 7.240 35.641 1.00 31.78 O ATOM 915 CG2 THR A 158 16.590 5.371 35.577 1.00 29.24 C ATOM 0 H THR A 158 16.813 7.689 37.347 1.00 33.95 H new ATOM 0 HA THR A 158 18.303 7.395 35.199 1.00 32.89 H new ATOM 0 HB THR A 158 16.242 6.758 34.110 1.00 31.34 H new ATOM 0 HG1 THR A 158 14.452 6.718 35.423 1.00 31.78 H new ATOM 0 HG21 THR A 158 15.865 4.782 35.316 1.00 29.24 H new ATOM 0 HG22 THR A 158 17.420 5.052 35.190 1.00 29.24 H new ATOM 0 HG23 THR A 158 16.667 5.380 36.544 1.00 29.24 H new ATOM 916 N GLY A 159 16.813 10.088 35.471 1.00 34.03 N ATOM 917 CA GLY A 159 16.585 11.385 34.858 1.00 32.50 C ATOM 918 C GLY A 159 15.372 11.419 33.941 1.00 34.21 C ATOM 919 O GLY A 159 15.310 12.241 33.026 1.00 34.23 O ATOM 0 H GLY A 159 16.657 10.055 36.316 1.00 34.03 H new ATOM 0 HA2 GLY A 159 16.472 12.049 35.556 1.00 32.50 H new ATOM 0 HA3 GLY A 159 17.372 11.638 34.351 1.00 32.50 H new ATOM 920 N GLU A 160 14.416 10.521 34.172 1.00 33.15 N ATOM 921 CA GLU A 160 13.198 10.468 33.367 1.00 31.72 C ATOM 922 C GLU A 160 12.230 11.553 33.823 1.00 31.48 C ATOM 923 O GLU A 160 11.892 11.635 35.004 1.00 32.72 O ATOM 924 CB GLU A 160 12.527 9.108 33.503 1.00 31.48 C ATOM 925 CG GLU A 160 11.202 9.026 32.781 1.00 33.00 C ATOM 926 CD GLU A 160 10.389 7.818 33.181 1.00 32.71 C ATOM 927 OE1 GLU A 160 10.423 7.434 34.369 1.00 33.14 O ATOM 928 OE2 GLU A 160 9.703 7.259 32.304 1.00 35.43 O ATOM 0 H GLU A 160 14.455 9.930 34.795 1.00 33.15 H new ATOM 0 HA GLU A 160 13.437 10.611 32.438 1.00 31.72 H new ATOM 0 HB2 GLU A 160 13.121 8.424 33.156 1.00 31.48 H new ATOM 0 HB3 GLU A 160 12.389 8.914 34.443 1.00 31.48 H new ATOM 0 HG2 GLU A 160 10.690 9.829 32.962 1.00 33.00 H new ATOM 0 HG3 GLU A 160 11.361 9.001 31.824 1.00 33.00 H new ATOM 929 N LYS A 161 11.768 12.364 32.878 1.00 30.20 N ATOM 930 CA LYS A 161 10.850 13.460 33.175 1.00 30.22 C ATOM 931 C LYS A 161 9.685 13.456 32.190 1.00 30.71 C ATOM 932 O LYS A 161 9.716 14.158 31.181 1.00 31.75 O ATOM 933 CB LYS A 161 11.606 14.787 33.097 1.00 28.77 C ATOM 934 CG LYS A 161 12.812 14.841 34.019 1.00 29.59 C ATOM 935 CD LYS A 161 13.582 16.129 33.882 1.00 33.10 C ATOM 936 CE LYS A 161 14.810 16.117 34.777 1.00 34.83 C ATOM 937 NZ LYS A 161 15.529 17.424 34.754 1.00 39.09 N ATOM 0 H LYS A 161 11.977 12.295 32.047 1.00 30.20 H new ATOM 0 HA LYS A 161 10.493 13.346 34.070 1.00 30.22 H new ATOM 0 HB2 LYS A 161 11.897 14.934 32.183 1.00 28.77 H new ATOM 0 HB3 LYS A 161 11.001 15.511 33.322 1.00 28.77 H new ATOM 0 HG2 LYS A 161 12.518 14.739 34.938 1.00 29.59 H new ATOM 0 HG3 LYS A 161 13.399 14.094 33.824 1.00 29.59 H new ATOM 0 HD2 LYS A 161 13.850 16.254 32.958 1.00 33.10 H new ATOM 0 HD3 LYS A 161 13.012 16.878 34.116 1.00 33.10 H new ATOM 0 HE2 LYS A 161 14.544 15.910 35.687 1.00 34.83 H new ATOM 0 HE3 LYS A 161 15.412 15.412 34.490 1.00 34.83 H new ATOM 0 HZ1 LYS A 161 15.990 17.523 35.509 1.00 39.09 H new ATOM 0 HZ2 LYS A 161 16.087 17.444 34.061 1.00 39.09 H new ATOM 0 HZ3 LYS A 161 14.939 18.086 34.678 1.00 39.09 H new ATOM 938 N PRO A 162 8.625 12.682 32.491 1.00 30.40 N ATOM 939 CA PRO A 162 7.425 12.548 31.656 1.00 30.13 C ATOM 940 C PRO A 162 6.437 13.719 31.668 1.00 31.37 C ATOM 941 O PRO A 162 5.435 13.687 30.954 1.00 33.99 O ATOM 942 CB PRO A 162 6.751 11.289 32.227 1.00 29.06 C ATOM 943 CG PRO A 162 7.829 10.609 33.036 1.00 29.19 C ATOM 944 CD PRO A 162 8.549 11.767 33.638 1.00 28.45 C ATOM 0 HA PRO A 162 7.687 12.512 30.723 1.00 30.13 H new ATOM 0 HB2 PRO A 162 5.988 11.518 32.780 1.00 29.06 H new ATOM 0 HB3 PRO A 162 6.425 10.712 31.519 1.00 29.06 H new ATOM 0 HG2 PRO A 162 7.458 10.022 33.713 1.00 29.19 H new ATOM 0 HG3 PRO A 162 8.412 10.069 32.480 1.00 29.19 H new ATOM 0 HD2 PRO A 162 8.063 12.153 34.383 1.00 28.45 H new ATOM 0 HD3 PRO A 162 9.427 11.521 33.969 1.00 28.45 H new ATOM 945 N PHE A 163 6.708 14.750 32.457 1.00 31.02 N ATOM 946 CA PHE A 163 5.779 15.870 32.549 1.00 31.50 C ATOM 947 C PHE A 163 6.315 17.205 32.032 1.00 31.35 C ATOM 948 O PHE A 163 7.079 17.884 32.708 1.00 32.62 O ATOM 949 CB PHE A 163 5.282 15.998 33.993 1.00 32.74 C ATOM 950 CG PHE A 163 4.677 14.729 34.540 1.00 32.15 C ATOM 951 CD1 PHE A 163 3.365 14.378 34.238 1.00 32.15 C ATOM 952 CD2 PHE A 163 5.429 13.873 35.338 1.00 33.56 C ATOM 953 CE1 PHE A 163 2.809 13.190 34.723 1.00 32.79 C ATOM 954 CE2 PHE A 163 4.885 12.684 35.829 1.00 33.91 C ATOM 955 CZ PHE A 163 3.570 12.342 35.519 1.00 32.72 C ATOM 0 H PHE A 163 7.414 14.822 32.942 1.00 31.02 H new ATOM 0 HA PHE A 163 5.045 15.661 31.950 1.00 31.50 H new ATOM 0 HB2 PHE A 163 6.023 16.264 34.559 1.00 32.74 H new ATOM 0 HB3 PHE A 163 4.622 16.707 34.038 1.00 32.74 H new ATOM 0 HD1 PHE A 163 2.851 14.941 33.706 1.00 32.15 H new ATOM 0 HD2 PHE A 163 6.307 14.096 35.548 1.00 33.56 H new ATOM 0 HE1 PHE A 163 1.931 12.968 34.513 1.00 32.79 H new ATOM 0 HE2 PHE A 163 5.399 12.122 36.362 1.00 33.91 H new ATOM 0 HZ PHE A 163 3.204 11.551 35.843 1.00 32.72 H new ATOM 956 N ALA A 164 5.842 17.607 30.855 1.00 32.88 N ATOM 957 CA ALA A 164 6.277 18.851 30.220 1.00 32.11 C ATOM 958 C ALA A 164 5.302 20.018 30.346 1.00 31.32 C ATOM 959 O ALA A 164 4.087 19.845 30.262 1.00 31.12 O ATOM 960 CB ALA A 164 6.592 18.602 28.745 1.00 31.08 C ATOM 0 H ALA A 164 5.259 17.167 30.401 1.00 32.88 H new ATOM 0 HA ALA A 164 7.071 19.121 30.707 1.00 32.11 H new ATOM 0 HB1 ALA A 164 6.880 19.431 28.331 1.00 31.08 H new ATOM 0 HB2 ALA A 164 7.299 17.942 28.672 1.00 31.08 H new ATOM 0 HB3 ALA A 164 5.797 18.275 28.295 1.00 31.08 H new ATOM 961 N CYS A 165 5.859 21.210 30.540 1.00 30.51 N ATOM 962 CA CYS A 165 5.075 22.433 30.652 1.00 30.42 C ATOM 963 C CYS A 165 4.510 22.779 29.274 1.00 31.45 C ATOM 964 O CYS A 165 5.233 22.781 28.278 1.00 32.20 O ATOM 965 CB CYS A 165 5.962 23.575 31.152 1.00 30.32 C ATOM 966 SG CYS A 165 5.201 25.221 31.116 1.00 27.27 S ATOM 0 H CYS A 165 6.707 21.331 30.611 1.00 30.51 H new ATOM 0 HA CYS A 165 4.350 22.304 31.283 1.00 30.42 H new ATOM 0 HB2 CYS A 165 6.232 23.380 32.063 1.00 30.32 H new ATOM 0 HB3 CYS A 165 6.769 23.596 30.615 1.00 30.32 H new ATOM 967 N ASP A 166 3.217 23.073 29.227 1.00 31.95 N ATOM 968 CA ASP A 166 2.540 23.407 27.974 1.00 33.42 C ATOM 969 C ASP A 166 2.999 24.714 27.323 1.00 32.57 C ATOM 970 O ASP A 166 2.790 24.914 26.122 1.00 31.81 O ATOM 971 CB ASP A 166 1.018 23.467 28.190 1.00 33.10 C ATOM 972 CG ASP A 166 0.404 22.107 28.494 1.00 33.86 C ATOM 973 OD1 ASP A 166 0.885 21.082 27.962 1.00 35.02 O ATOM 974 OD2 ASP A 166 -0.594 22.072 29.244 1.00 33.18 O ATOM 0 H ASP A 166 2.705 23.085 29.918 1.00 31.95 H new ATOM 0 HA ASP A 166 2.783 22.695 27.362 1.00 33.42 H new ATOM 0 HB2 ASP A 166 0.824 24.074 28.921 1.00 33.10 H new ATOM 0 HB3 ASP A 166 0.598 23.835 27.397 1.00 33.10 H new ATOM 975 N ILE A 167 3.625 25.591 28.108 1.00 30.68 N ATOM 976 CA ILE A 167 4.072 26.889 27.607 1.00 30.41 C ATOM 977 C ILE A 167 5.479 26.889 27.021 1.00 32.29 C ATOM 978 O ILE A 167 5.663 27.210 25.847 1.00 34.93 O ATOM 979 CB ILE A 167 3.975 27.974 28.704 1.00 28.18 C ATOM 980 CG1 ILE A 167 2.613 27.899 29.400 1.00 30.15 C ATOM 981 CG2 ILE A 167 4.213 29.358 28.118 1.00 26.32 C ATOM 982 CD1 ILE A 167 1.430 27.767 28.458 1.00 32.03 C ATOM 0 H ILE A 167 3.801 25.451 28.938 1.00 30.68 H new ATOM 0 HA ILE A 167 3.466 27.093 26.877 1.00 30.41 H new ATOM 0 HB ILE A 167 4.666 27.810 29.364 1.00 28.18 H new ATOM 0 HG12 ILE A 167 2.614 27.143 30.007 1.00 30.15 H new ATOM 0 HG13 ILE A 167 2.494 28.696 29.940 1.00 30.15 H new ATOM 0 HG21 ILE A 167 4.148 30.023 28.821 1.00 26.32 H new ATOM 0 HG22 ILE A 167 5.097 29.394 27.721 1.00 26.32 H new ATOM 0 HG23 ILE A 167 3.546 29.541 27.438 1.00 26.32 H new ATOM 0 HD11 ILE A 167 0.609 27.726 28.973 1.00 32.03 H new ATOM 0 HD12 ILE A 167 1.401 28.534 27.865 1.00 32.03 H new ATOM 0 HD13 ILE A 167 1.523 26.957 27.933 1.00 32.03 H new ATOM 983 N CYS A 168 6.467 26.534 27.836 1.00 33.11 N ATOM 984 CA CYS A 168 7.858 26.511 27.392 1.00 31.69 C ATOM 985 C CYS A 168 8.362 25.119 27.016 1.00 32.56 C ATOM 986 O CYS A 168 9.389 24.992 26.352 1.00 35.80 O ATOM 987 CB CYS A 168 8.764 27.112 28.467 1.00 29.82 C ATOM 988 SG CYS A 168 8.776 26.194 30.020 1.00 30.58 S ATOM 0 H CYS A 168 6.352 26.301 28.656 1.00 33.11 H new ATOM 0 HA CYS A 168 7.890 27.045 26.583 1.00 31.69 H new ATOM 0 HB2 CYS A 168 9.670 27.159 28.123 1.00 29.82 H new ATOM 0 HB3 CYS A 168 8.480 28.023 28.643 1.00 29.82 H new ATOM 989 N GLY A 169 7.647 24.081 27.444 1.00 30.44 N ATOM 990 CA GLY A 169 8.056 22.723 27.136 1.00 30.49 C ATOM 991 C GLY A 169 9.072 22.114 28.091 1.00 30.97 C ATOM 992 O GLY A 169 9.641 21.066 27.797 1.00 33.27 O ATOM 0 H GLY A 169 6.927 24.145 27.911 1.00 30.44 H new ATOM 0 HA2 GLY A 169 7.267 22.159 27.124 1.00 30.49 H new ATOM 0 HA3 GLY A 169 8.428 22.709 26.240 1.00 30.49 H new ATOM 993 N ARG A 170 9.307 22.756 29.230 1.00 30.21 N ATOM 994 CA ARG A 170 10.261 22.242 30.209 1.00 29.40 C ATOM 995 C ARG A 170 9.718 20.981 30.869 1.00 28.87 C ATOM 996 O ARG A 170 8.576 20.954 31.321 1.00 29.15 O ATOM 997 CB ARG A 170 10.566 23.304 31.261 1.00 31.10 C ATOM 998 CG ARG A 170 11.570 22.854 32.299 1.00 33.27 C ATOM 999 CD ARG A 170 12.063 24.017 33.119 1.00 36.23 C ATOM 1000 NE ARG A 170 12.936 23.577 34.201 1.00 40.09 N ATOM 1001 CZ ARG A 170 13.657 24.396 34.960 1.00 42.17 C ATOM 1002 NH1 ARG A 170 13.617 25.706 34.754 1.00 43.52 N ATOM 1003 NH2 ARG A 170 14.399 23.905 35.943 1.00 43.99 N ATOM 0 H ARG A 170 8.924 23.492 29.456 1.00 30.21 H new ATOM 0 HA ARG A 170 11.085 22.018 29.749 1.00 29.40 H new ATOM 0 HB2 ARG A 170 10.903 24.099 30.819 1.00 31.10 H new ATOM 0 HB3 ARG A 170 9.741 23.554 31.706 1.00 31.10 H new ATOM 0 HG2 ARG A 170 11.163 22.194 32.881 1.00 33.27 H new ATOM 0 HG3 ARG A 170 12.320 22.422 31.861 1.00 33.27 H new ATOM 0 HD2 ARG A 170 12.542 24.637 32.547 1.00 36.23 H new ATOM 0 HD3 ARG A 170 11.306 24.498 33.488 1.00 36.23 H new ATOM 0 HE ARG A 170 12.988 22.733 34.358 1.00 40.09 H new ATOM 0 HH11 ARG A 170 13.123 26.028 34.128 1.00 43.52 H new ATOM 0 HH12 ARG A 170 14.085 26.233 35.247 1.00 43.52 H new ATOM 0 HH21 ARG A 170 14.413 23.058 36.089 1.00 43.99 H new ATOM 0 HH22 ARG A 170 14.866 24.434 36.435 1.00 43.99 H new ATOM 1004 N LYS A 171 10.550 19.946 30.947 1.00 29.40 N ATOM 1005 CA LYS A 171 10.127 18.674 31.521 1.00 29.39 C ATOM 1006 C LYS A 171 10.500 18.445 32.978 1.00 29.64 C ATOM 1007 O LYS A 171 11.566 18.858 33.438 1.00 30.34 O ATOM 1008 CB LYS A 171 10.621 17.519 30.654 1.00 32.02 C ATOM 1009 CG LYS A 171 10.115 17.578 29.214 1.00 34.15 C ATOM 1010 CD LYS A 171 10.642 16.415 28.403 1.00 35.68 C ATOM 1011 CE LYS A 171 12.155 16.418 28.388 1.00 40.59 C ATOM 1012 NZ LYS A 171 12.712 15.112 27.942 1.00 43.54 N ATOM 0 H LYS A 171 11.365 19.961 30.672 1.00 29.40 H new ATOM 0 HA LYS A 171 9.158 18.713 31.525 1.00 29.39 H new ATOM 0 HB2 LYS A 171 11.591 17.520 30.649 1.00 32.02 H new ATOM 0 HB3 LYS A 171 10.340 16.681 31.054 1.00 32.02 H new ATOM 0 HG2 LYS A 171 9.145 17.567 29.208 1.00 34.15 H new ATOM 0 HG3 LYS A 171 10.392 18.413 28.805 1.00 34.15 H new ATOM 0 HD2 LYS A 171 10.319 15.580 28.777 1.00 35.68 H new ATOM 0 HD3 LYS A 171 10.305 16.468 27.495 1.00 35.68 H new ATOM 0 HE2 LYS A 171 12.470 17.121 27.799 1.00 40.59 H new ATOM 0 HE3 LYS A 171 12.486 16.623 29.276 1.00 40.59 H new ATOM 0 HZ1 LYS A 171 13.601 15.151 27.946 1.00 43.54 H new ATOM 0 HZ2 LYS A 171 12.441 14.469 28.495 1.00 43.54 H new ATOM 0 HZ3 LYS A 171 12.427 14.933 27.118 1.00 43.54 H new ATOM 1013 N PHE A 172 9.605 17.752 33.681 1.00 29.84 N ATOM 1014 CA PHE A 172 9.743 17.439 35.103 1.00 28.57 C ATOM 1015 C PHE A 172 9.479 15.964 35.401 1.00 28.58 C ATOM 1016 O PHE A 172 8.707 15.302 34.710 1.00 29.67 O ATOM 1017 CB PHE A 172 8.775 18.305 35.909 1.00 24.91 C ATOM 1018 CG PHE A 172 9.008 19.771 35.744 1.00 24.22 C ATOM 1019 CD1 PHE A 172 9.936 20.427 36.538 1.00 22.49 C ATOM 1020 CD2 PHE A 172 8.342 20.489 34.756 1.00 22.59 C ATOM 1021 CE1 PHE A 172 10.203 21.771 36.348 1.00 24.60 C ATOM 1022 CE2 PHE A 172 8.604 21.835 34.560 1.00 21.89 C ATOM 1023 CZ PHE A 172 9.536 22.477 35.355 1.00 22.19 C ATOM 0 H PHE A 172 8.881 17.443 33.334 1.00 29.84 H new ATOM 0 HA PHE A 172 10.660 17.627 35.358 1.00 28.57 H new ATOM 0 HB2 PHE A 172 7.866 18.097 35.641 1.00 24.91 H new ATOM 0 HB3 PHE A 172 8.853 18.076 36.848 1.00 24.91 H new ATOM 0 HD1 PHE A 172 10.384 19.959 37.205 1.00 22.49 H new ATOM 0 HD2 PHE A 172 7.714 20.060 34.221 1.00 22.59 H new ATOM 0 HE1 PHE A 172 10.829 22.202 36.885 1.00 24.60 H new ATOM 0 HE2 PHE A 172 8.154 22.306 33.896 1.00 21.89 H new ATOM 0 HZ PHE A 172 9.716 23.380 35.225 1.00 22.19 H new ATOM 1024 N ALA A 173 10.105 15.455 36.454 1.00 28.85 N ATOM 1025 CA ALA A 173 9.941 14.059 36.831 1.00 30.38 C ATOM 1026 C ALA A 173 8.563 13.746 37.411 1.00 30.68 C ATOM 1027 O ALA A 173 8.005 12.674 37.159 1.00 31.58 O ATOM 1028 CB ALA A 173 11.032 13.653 37.815 1.00 31.27 C ATOM 0 H ALA A 173 10.631 15.904 36.965 1.00 28.85 H new ATOM 0 HA ALA A 173 10.019 13.540 36.016 1.00 30.38 H new ATOM 0 HB1 ALA A 173 10.916 12.722 38.061 1.00 31.27 H new ATOM 0 HB2 ALA A 173 11.901 13.772 37.402 1.00 31.27 H new ATOM 0 HB3 ALA A 173 10.974 14.207 38.609 1.00 31.27 H new ATOM 1029 N ARG A 174 8.008 14.693 38.164 1.00 28.94 N ATOM 1030 CA ARG A 174 6.708 14.498 38.795 1.00 26.42 C ATOM 1031 C ARG A 174 5.679 15.506 38.302 1.00 27.30 C ATOM 1032 O ARG A 174 6.033 16.611 37.889 1.00 27.12 O ATOM 1033 CB ARG A 174 6.850 14.597 40.315 1.00 25.29 C ATOM 1034 CG ARG A 174 8.127 13.974 40.855 1.00 20.16 C ATOM 1035 CD ARG A 174 8.088 13.801 42.355 1.00 21.52 C ATOM 1036 NE ARG A 174 7.659 15.005 43.059 1.00 18.38 N ATOM 1037 CZ ARG A 174 7.953 15.270 44.328 1.00 17.72 C ATOM 1038 NH1 ARG A 174 8.691 14.431 45.040 1.00 17.90 N ATOM 1039 NH2 ARG A 174 7.468 16.354 44.903 1.00 18.93 N ATOM 0 H ARG A 174 8.370 15.457 38.321 1.00 28.94 H new ATOM 0 HA ARG A 174 6.391 13.614 38.552 1.00 26.42 H new ATOM 0 HB2 ARG A 174 6.822 15.531 40.574 1.00 25.29 H new ATOM 0 HB3 ARG A 174 6.088 14.164 40.731 1.00 25.29 H new ATOM 0 HG2 ARG A 174 8.266 13.111 40.435 1.00 20.16 H new ATOM 0 HG3 ARG A 174 8.884 14.532 40.615 1.00 20.16 H new ATOM 0 HD2 ARG A 174 7.487 13.072 42.576 1.00 21.52 H new ATOM 0 HD3 ARG A 174 8.970 13.546 42.669 1.00 21.52 H new ATOM 0 HE ARG A 174 7.187 15.579 42.626 1.00 18.38 H new ATOM 0 HH11 ARG A 174 8.985 13.707 44.682 1.00 17.90 H new ATOM 0 HH12 ARG A 174 8.876 14.611 45.860 1.00 17.90 H new ATOM 0 HH21 ARG A 174 6.962 16.888 44.457 1.00 18.93 H new ATOM 0 HH22 ARG A 174 7.657 16.527 45.724 1.00 18.93 H new ATOM 1040 N SER A 175 4.405 15.124 38.361 1.00 27.33 N ATOM 1041 CA SER A 175 3.317 15.988 37.913 1.00 27.96 C ATOM 1042 C SER A 175 3.221 17.297 38.695 1.00 28.45 C ATOM 1043 O SER A 175 3.076 18.368 38.098 1.00 27.32 O ATOM 1044 CB SER A 175 1.976 15.239 37.965 1.00 29.60 C ATOM 1045 OG SER A 175 1.630 14.853 39.288 1.00 33.83 O ATOM 0 H SER A 175 4.149 14.360 38.661 1.00 27.33 H new ATOM 0 HA SER A 175 3.522 16.227 36.996 1.00 27.96 H new ATOM 0 HB2 SER A 175 1.277 15.804 37.601 1.00 29.60 H new ATOM 0 HB3 SER A 175 2.025 14.451 37.402 1.00 29.60 H new ATOM 0 HG SER A 175 2.135 14.231 39.540 1.00 33.83 H new ATOM 1046 N ASP A 176 3.341 17.208 40.020 1.00 28.09 N ATOM 1047 CA ASP A 176 3.256 18.375 40.901 1.00 29.03 C ATOM 1048 C ASP A 176 4.349 19.431 40.680 1.00 28.76 C ATOM 1049 O ASP A 176 4.135 20.618 40.942 1.00 29.11 O ATOM 1050 CB ASP A 176 3.225 17.934 42.370 1.00 29.59 C ATOM 1051 CG ASP A 176 4.511 17.270 42.807 1.00 28.74 C ATOM 1052 OD1 ASP A 176 4.792 16.152 42.339 1.00 31.40 O ATOM 1053 OD2 ASP A 176 5.244 17.869 43.617 1.00 26.58 O ATOM 0 H ASP A 176 3.474 16.467 40.435 1.00 28.09 H new ATOM 0 HA ASP A 176 2.424 18.815 40.666 1.00 29.03 H new ATOM 0 HB2 ASP A 176 3.057 18.706 42.932 1.00 29.59 H new ATOM 0 HB3 ASP A 176 2.486 17.320 42.504 1.00 29.59 H new ATOM 1054 N GLU A 177 5.518 18.996 40.216 1.00 28.89 N ATOM 1055 CA GLU A 177 6.623 19.912 39.946 1.00 28.41 C ATOM 1056 C GLU A 177 6.284 20.738 38.716 1.00 27.53 C ATOM 1057 O GLU A 177 6.616 21.921 38.642 1.00 28.84 O ATOM 1058 CB GLU A 177 7.921 19.141 39.708 1.00 28.10 C ATOM 1059 CG GLU A 177 8.411 18.358 40.916 1.00 31.06 C ATOM 1060 CD GLU A 177 9.724 17.640 40.658 1.00 34.00 C ATOM 1061 OE1 GLU A 177 9.755 16.742 39.789 1.00 35.08 O ATOM 1062 OE2 GLU A 177 10.727 17.970 41.328 1.00 35.92 O ATOM 0 H GLU A 177 5.692 18.170 40.050 1.00 28.89 H new ATOM 0 HA GLU A 177 6.751 20.491 40.714 1.00 28.41 H new ATOM 0 HB2 GLU A 177 7.790 18.527 38.969 1.00 28.10 H new ATOM 0 HB3 GLU A 177 8.612 19.766 39.438 1.00 28.10 H new ATOM 0 HG2 GLU A 177 8.520 18.963 41.666 1.00 31.06 H new ATOM 0 HG3 GLU A 177 7.737 17.709 41.171 1.00 31.06 H new ATOM 1063 N ARG A 178 5.615 20.099 37.758 1.00 29.27 N ATOM 1064 CA ARG A 178 5.199 20.749 36.518 1.00 29.34 C ATOM 1065 C ARG A 178 4.063 21.707 36.831 1.00 29.21 C ATOM 1066 O ARG A 178 3.961 22.784 36.248 1.00 29.84 O ATOM 1067 CB ARG A 178 4.715 19.715 35.504 1.00 30.24 C ATOM 1068 CG ARG A 178 4.331 20.312 34.160 1.00 34.90 C ATOM 1069 CD ARG A 178 3.218 19.515 33.511 1.00 38.98 C ATOM 1070 NE ARG A 178 2.039 19.495 34.371 1.00 45.05 N ATOM 1071 CZ ARG A 178 1.429 18.391 34.789 1.00 46.15 C ATOM 1072 NH1 ARG A 178 1.879 17.198 34.420 1.00 46.18 N ATOM 1073 NH2 ARG A 178 0.396 18.480 35.617 1.00 45.49 N ATOM 0 H ARG A 178 5.389 19.271 37.810 1.00 29.27 H new ATOM 0 HA ARG A 178 5.955 21.225 36.139 1.00 29.34 H new ATOM 0 HB2 ARG A 178 5.413 19.055 35.368 1.00 30.24 H new ATOM 0 HB3 ARG A 178 3.949 19.247 35.872 1.00 30.24 H new ATOM 0 HG2 ARG A 178 4.047 21.232 34.280 1.00 34.90 H new ATOM 0 HG3 ARG A 178 5.105 20.328 33.576 1.00 34.90 H new ATOM 0 HD2 ARG A 178 2.992 19.904 32.652 1.00 38.98 H new ATOM 0 HD3 ARG A 178 3.518 18.608 33.342 1.00 38.98 H new ATOM 0 HE ARG A 178 1.716 20.251 34.625 1.00 45.05 H new ATOM 0 HH11 ARG A 178 2.568 17.138 33.909 1.00 46.18 H new ATOM 0 HH12 ARG A 178 1.482 16.486 34.692 1.00 46.18 H new ATOM 0 HH21 ARG A 178 0.123 19.251 35.882 1.00 45.49 H new ATOM 0 HH22 ARG A 178 -0.000 17.767 35.889 1.00 45.49 H new ATOM 1074 N LYS A 179 3.199 21.290 37.746 1.00 29.02 N ATOM 1075 CA LYS A 179 2.074 22.107 38.157 1.00 29.98 C ATOM 1076 C LYS A 179 2.592 23.370 38.843 1.00 30.28 C ATOM 1077 O LYS A 179 2.122 24.475 38.558 1.00 31.21 O ATOM 1078 CB LYS A 179 1.161 21.316 39.101 1.00 32.43 C ATOM 1079 CG LYS A 179 -0.085 22.070 39.524 1.00 34.58 C ATOM 1080 CD LYS A 179 -0.733 21.433 40.729 1.00 36.71 C ATOM 1081 CE LYS A 179 -1.489 22.483 41.530 1.00 40.06 C ATOM 1082 NZ LYS A 179 -0.654 23.713 41.727 1.00 43.25 N ATOM 0 H LYS A 179 3.250 20.529 38.143 1.00 29.02 H new ATOM 0 HA LYS A 179 1.555 22.359 37.377 1.00 29.98 H new ATOM 0 HB2 LYS A 179 0.897 20.491 38.665 1.00 32.43 H new ATOM 0 HB3 LYS A 179 1.664 21.070 39.893 1.00 32.43 H new ATOM 0 HG2 LYS A 179 0.145 22.990 39.727 1.00 34.58 H new ATOM 0 HG3 LYS A 179 -0.717 22.092 38.789 1.00 34.58 H new ATOM 0 HD2 LYS A 179 -1.341 20.732 40.446 1.00 36.71 H new ATOM 0 HD3 LYS A 179 -0.057 21.015 41.286 1.00 36.71 H new ATOM 0 HE2 LYS A 179 -2.311 22.716 41.070 1.00 40.06 H new ATOM 0 HE3 LYS A 179 -1.741 22.117 42.392 1.00 40.06 H new ATOM 0 HZ1 LYS A 179 -0.887 24.112 42.488 1.00 43.25 H new ATOM 0 HZ2 LYS A 179 0.206 23.486 41.763 1.00 43.25 H new ATOM 0 HZ3 LYS A 179 -0.784 24.272 41.047 1.00 43.25 H new ATOM 1083 N ARG A 180 3.581 23.203 39.723 1.00 29.60 N ATOM 1084 CA ARG A 180 4.170 24.331 40.445 1.00 29.50 C ATOM 1085 C ARG A 180 4.980 25.221 39.504 1.00 29.16 C ATOM 1086 O ARG A 180 5.156 26.409 39.761 1.00 28.58 O ATOM 1087 CB ARG A 180 5.054 23.840 41.601 1.00 29.61 C ATOM 1088 CG ARG A 180 5.663 24.965 42.446 1.00 27.17 C ATOM 1089 CD ARG A 180 6.690 24.435 43.427 1.00 26.93 C ATOM 1090 NE ARG A 180 7.778 23.733 42.749 1.00 24.68 N ATOM 1091 CZ ARG A 180 8.846 23.233 43.360 1.00 24.50 C ATOM 1092 NH1 ARG A 180 8.988 23.349 44.675 1.00 25.65 N ATOM 1093 NH2 ARG A 180 9.780 22.619 42.652 1.00 25.03 N ATOM 0 H ARG A 180 3.926 22.439 39.916 1.00 29.60 H new ATOM 0 HA ARG A 180 3.443 24.856 40.814 1.00 29.50 H new ATOM 0 HB2 ARG A 180 4.526 23.265 42.177 1.00 29.61 H new ATOM 0 HB3 ARG A 180 5.771 23.297 41.239 1.00 29.61 H new ATOM 0 HG2 ARG A 180 6.079 25.619 41.863 1.00 27.17 H new ATOM 0 HG3 ARG A 180 4.959 25.424 42.930 1.00 27.17 H new ATOM 0 HD2 ARG A 180 7.053 25.171 43.944 1.00 26.93 H new ATOM 0 HD3 ARG A 180 6.258 23.834 44.054 1.00 26.93 H new ATOM 0 HE ARG A 180 7.723 23.637 41.896 1.00 24.68 H new ATOM 0 HH11 ARG A 180 8.385 23.751 45.139 1.00 25.65 H new ATOM 0 HH12 ARG A 180 9.683 23.022 45.063 1.00 25.65 H new ATOM 0 HH21 ARG A 180 9.694 22.545 41.800 1.00 25.03 H new ATOM 0 HH22 ARG A 180 10.473 22.294 43.044 1.00 25.03 H new ATOM 1094 N HIS A 181 5.475 24.647 38.415 1.00 28.31 N ATOM 1095 CA HIS A 181 6.246 25.423 37.460 1.00 28.45 C ATOM 1096 C HIS A 181 5.368 26.291 36.571 1.00 28.25 C ATOM 1097 O HIS A 181 5.604 27.488 36.441 1.00 28.70 O ATOM 1098 CB HIS A 181 7.105 24.513 36.574 1.00 28.34 C ATOM 1099 CG HIS A 181 7.581 25.175 35.314 1.00 27.56 C ATOM 1100 ND1 HIS A 181 8.707 25.966 35.267 1.00 26.30 N ATOM 1101 CD2 HIS A 181 7.054 25.204 34.066 1.00 24.97 C ATOM 1102 CE1 HIS A 181 8.851 26.458 34.051 1.00 25.04 C ATOM 1103 NE2 HIS A 181 7.859 26.012 33.302 1.00 24.09 N ATOM 0 H HIS A 181 5.376 23.817 38.213 1.00 28.31 H new ATOM 0 HA HIS A 181 6.817 26.004 37.986 1.00 28.45 H new ATOM 0 HB2 HIS A 181 7.874 24.212 37.083 1.00 28.34 H new ATOM 0 HB3 HIS A 181 6.592 23.723 36.341 1.00 28.34 H new ATOM 0 HD1 HIS A 181 9.235 26.116 35.929 1.00 26.30 H new ATOM 0 HD2 HIS A 181 6.289 24.759 33.780 1.00 24.97 H new ATOM 0 HE1 HIS A 181 9.534 27.022 33.770 1.00 25.04 H new ATOM 1104 N THR A 182 4.374 25.672 35.944 1.00 27.71 N ATOM 1105 CA THR A 182 3.480 26.359 35.016 1.00 29.36 C ATOM 1106 C THR A 182 2.977 27.721 35.494 1.00 30.36 C ATOM 1107 O THR A 182 2.820 28.643 34.693 1.00 29.49 O ATOM 1108 CB THR A 182 2.288 25.455 34.638 1.00 29.45 C ATOM 1109 OG1 THR A 182 2.776 24.184 34.184 1.00 28.87 O ATOM 1110 CG2 THR A 182 1.457 26.092 33.533 1.00 30.59 C ATOM 0 H THR A 182 4.197 24.836 36.045 1.00 27.71 H new ATOM 0 HA THR A 182 4.024 26.543 34.234 1.00 29.36 H new ATOM 0 HB THR A 182 1.730 25.338 35.423 1.00 29.45 H new ATOM 0 HG1 THR A 182 3.008 23.720 34.845 1.00 28.87 H new ATOM 0 HG21 THR A 182 0.714 25.510 33.310 1.00 30.59 H new ATOM 0 HG22 THR A 182 1.116 26.948 33.837 1.00 30.59 H new ATOM 0 HG23 THR A 182 2.010 26.225 32.747 1.00 30.59 H new ATOM 1111 N LYS A 183 2.797 27.864 36.803 1.00 30.55 N ATOM 1112 CA LYS A 183 2.309 29.114 37.376 1.00 32.43 C ATOM 1113 C LYS A 183 3.260 30.305 37.221 1.00 32.09 C ATOM 1114 O LYS A 183 2.847 31.451 37.422 1.00 33.55 O ATOM 1115 CB LYS A 183 1.922 28.919 38.858 1.00 36.20 C ATOM 1116 CG LYS A 183 3.077 28.620 39.812 1.00 36.36 C ATOM 1117 CD LYS A 183 3.531 29.860 40.582 1.00 35.29 C ATOM 1118 CE LYS A 183 4.837 29.614 41.338 1.00 35.07 C ATOM 1119 NZ LYS A 183 4.961 28.214 41.840 1.00 35.50 N ATOM 0 H LYS A 183 2.953 27.245 37.380 1.00 30.55 H new ATOM 0 HA LYS A 183 1.523 29.343 36.856 1.00 32.43 H new ATOM 0 HB2 LYS A 183 1.470 29.721 39.165 1.00 36.20 H new ATOM 0 HB3 LYS A 183 1.281 28.193 38.915 1.00 36.20 H new ATOM 0 HG2 LYS A 183 2.805 27.933 40.441 1.00 36.36 H new ATOM 0 HG3 LYS A 183 3.825 28.263 39.308 1.00 36.36 H new ATOM 0 HD2 LYS A 183 3.649 30.599 39.964 1.00 35.29 H new ATOM 0 HD3 LYS A 183 2.839 30.122 41.209 1.00 35.29 H new ATOM 0 HE2 LYS A 183 5.586 29.811 40.754 1.00 35.07 H new ATOM 0 HE3 LYS A 183 4.893 30.228 42.087 1.00 35.07 H new ATOM 0 HZ1 LYS A 183 5.666 28.153 42.379 1.00 35.50 H new ATOM 0 HZ2 LYS A 183 4.225 27.993 42.289 1.00 35.50 H new ATOM 0 HZ3 LYS A 183 5.066 27.660 41.152 1.00 35.50 H new ATOM 1120 N ILE A 184 4.518 30.049 36.858 1.00 30.02 N ATOM 1121 CA ILE A 184 5.481 31.139 36.704 1.00 29.94 C ATOM 1122 C ILE A 184 5.185 31.987 35.482 1.00 29.66 C ATOM 1123 O ILE A 184 5.443 33.184 35.482 1.00 32.64 O ATOM 1124 CB ILE A 184 6.971 30.665 36.628 1.00 28.75 C ATOM 1125 CG1 ILE A 184 7.265 29.969 35.301 1.00 28.66 C ATOM 1126 CG2 ILE A 184 7.315 29.766 37.814 1.00 30.63 C ATOM 1127 CD1 ILE A 184 8.732 29.781 35.045 1.00 29.86 C ATOM 0 H ILE A 184 4.830 29.264 36.698 1.00 30.02 H new ATOM 0 HA ILE A 184 5.375 31.666 37.511 1.00 29.94 H new ATOM 0 HB ILE A 184 7.537 31.451 36.675 1.00 28.75 H new ATOM 0 HG12 ILE A 184 6.828 29.103 35.293 1.00 28.66 H new ATOM 0 HG13 ILE A 184 6.880 30.488 34.578 1.00 28.66 H new ATOM 0 HG21 ILE A 184 8.241 29.484 37.748 1.00 30.63 H new ATOM 0 HG22 ILE A 184 7.185 30.257 38.641 1.00 30.63 H new ATOM 0 HG23 ILE A 184 6.738 28.986 37.807 1.00 30.63 H new ATOM 0 HD11 ILE A 184 8.857 29.336 34.192 1.00 29.86 H new ATOM 0 HD12 ILE A 184 9.171 30.646 35.026 1.00 29.86 H new ATOM 0 HD13 ILE A 184 9.117 29.239 35.751 1.00 29.86 H new ATOM 1128 N HIS A 185 4.594 31.377 34.462 1.00 29.18 N ATOM 1129 CA HIS A 185 4.286 32.094 33.233 1.00 29.04 C ATOM 1130 C HIS A 185 3.158 33.102 33.368 1.00 30.77 C ATOM 1131 O HIS A 185 2.782 33.738 32.385 1.00 32.79 O ATOM 1132 CB HIS A 185 3.991 31.112 32.100 1.00 26.69 C ATOM 1133 CG HIS A 185 5.098 30.138 31.848 1.00 23.86 C ATOM 1134 ND1 HIS A 185 6.317 30.515 31.325 1.00 24.51 N ATOM 1135 CD2 HIS A 185 5.181 28.806 32.068 1.00 23.71 C ATOM 1136 CE1 HIS A 185 7.102 29.457 31.234 1.00 22.52 C ATOM 1137 NE2 HIS A 185 6.436 28.406 31.678 1.00 24.74 N ATOM 0 H HIS A 185 4.363 30.549 34.462 1.00 29.18 H new ATOM 0 HA HIS A 185 5.080 32.611 33.023 1.00 29.04 H new ATOM 0 HB2 HIS A 185 3.181 30.622 32.310 1.00 26.69 H new ATOM 0 HB3 HIS A 185 3.818 31.611 31.286 1.00 26.69 H new ATOM 0 HD1 HIS A 185 6.533 31.315 31.094 1.00 24.51 H new ATOM 0 HD2 HIS A 185 4.513 28.262 32.418 1.00 23.71 H new ATOM 0 HE1 HIS A 185 7.975 29.453 30.912 1.00 22.52 H new ATOM 1138 N LEU A 186 2.611 33.242 34.573 1.00 32.62 N ATOM 1139 CA LEU A 186 1.541 34.204 34.805 1.00 35.79 C ATOM 1140 C LEU A 186 2.122 35.587 35.066 1.00 38.21 C ATOM 1141 O LEU A 186 2.143 36.438 34.180 1.00 42.06 O ATOM 1142 CB LEU A 186 0.673 33.794 35.992 1.00 37.47 C ATOM 1143 CG LEU A 186 -0.189 32.531 35.911 1.00 38.41 C ATOM 1144 CD1 LEU A 186 -1.210 32.595 37.036 1.00 42.17 C ATOM 1145 CD2 LEU A 186 -0.910 32.427 34.571 1.00 37.68 C ATOM 0 H LEU A 186 2.845 32.791 35.267 1.00 32.62 H new ATOM 0 HA LEU A 186 0.989 34.225 34.008 1.00 35.79 H new ATOM 0 HB2 LEU A 186 1.260 33.694 36.758 1.00 37.47 H new ATOM 0 HB3 LEU A 186 0.079 34.536 36.185 1.00 37.47 H new ATOM 0 HG LEU A 186 0.380 31.750 35.995 1.00 38.41 H new ATOM 0 HD11 LEU A 186 -1.772 31.805 37.009 1.00 42.17 H new ATOM 0 HD12 LEU A 186 -0.750 32.635 37.889 1.00 42.17 H new ATOM 0 HD13 LEU A 186 -1.761 33.386 36.929 1.00 42.17 H new ATOM 0 HD21 LEU A 186 -1.445 31.618 34.553 1.00 37.68 H new ATOM 0 HD22 LEU A 186 -1.486 33.198 34.453 1.00 37.68 H new ATOM 0 HD23 LEU A 186 -0.258 32.398 33.854 1.00 37.68 H new TER 1146 LEU A 186 HETATM 1147 ZN ZN A 201 -2.143 6.999 63.282 1.00 44.21 ZN HETATM 1148 ZN ZN A 202 17.383 4.957 44.689 1.00 35.39 ZN HETATM 1149 ZN ZN A 203 7.046 26.473 31.402 1.00 30.31 ZN HETATM 1150 O HOH B 315 9.176 8.662 49.993 1.00 20.05 O HETATM 1151 O HOH B 318 10.008 11.720 44.271 1.00 32.63 O HETATM 1152 O HOH B 322 14.161 15.428 37.811 1.00 37.66 O HETATM 1153 O HOH B 324 18.434 14.998 35.763 1.00 52.67 O HETATM 1154 O HOH B 325 16.848 17.289 37.381 1.00 35.01 O HETATM 1155 O HOH B 326 13.179 19.796 35.621 1.00 31.45 O HETATM 1156 O HOH B 334 -5.008 15.678 52.762 1.00 43.42 O HETATM 1157 O HOH B 335 -6.692 15.874 55.203 1.00 37.07 O HETATM 1158 O HOH B 336 -7.085 15.992 48.469 1.00 37.11 O HETATM 1159 O HOH B 340 6.847 20.327 43.482 1.00 24.04 O HETATM 1160 O HOH B 345 5.581 12.492 44.652 1.00 26.58 O HETATM 1161 O HOH B 355 15.556 17.579 47.525 1.00 47.77 O HETATM 1162 O HOH B 365 -9.114 1.523 35.302 1.00 36.95 O HETATM 1163 O HOH B 366 -6.258 4.276 40.181 1.00 29.64 O HETATM 1164 O HOH B 375 -6.738 11.571 57.414 1.00 34.22 O HETATM 1165 O HOH B 379 -12.506 6.206 46.367 1.00 46.20 O HETATM 1166 O HOH B 380 -12.614 2.510 42.264 1.00 51.65 O HETATM 1167 O HOH B 381 -14.440 6.393 37.682 1.00 44.46 O HETATM 1168 O HOH B 382 -16.943 6.422 38.920 1.00 50.60 O HETATM 1169 O HOH B 383 -16.196 8.558 41.009 1.00 40.73 O HETATM 1170 O HOH B 384 -18.210 10.187 42.073 1.00 68.12 O HETATM 1171 O HOH B 385 -7.767 10.994 41.476 1.00 50.21 O HETATM 1172 O HOH B 388 14.979 20.789 33.004 1.00 46.45 O HETATM 1173 O HOH C 330 10.065 25.266 55.679 1.00 48.69 O HETATM 1174 O HOH C 331 5.545 25.951 56.546 1.00 34.08 O HETATM 1175 O HOH C 332 -1.509 21.014 55.088 1.00 51.21 O HETATM 1176 O HOH C 333 -3.015 22.353 52.404 1.00 28.20 O HETATM 1177 O HOH C 337 0.534 17.172 52.642 1.00 66.74 O HETATM 1178 O HOH C 338 1.742 22.999 47.689 1.00 37.91 O HETATM 1179 O HOH C 339 4.297 20.411 45.144 1.00 37.84 O HETATM 1180 O HOH C 341 1.807 20.922 43.581 1.00 40.50 O HETATM 1181 O HOH C 342 -2.011 16.960 36.870 1.00 44.21 O HETATM 1182 O HOH C 346 2.827 10.071 43.446 1.00 23.36 O HETATM 1183 O HOH C 349 2.409 2.390 42.103 1.00 28.75 O HETATM 1184 O HOH C 350 0.852 3.056 49.557 1.00 28.77 O HETATM 1185 O HOH C 351 0.140 5.469 47.950 1.00 34.91 O HETATM 1186 O HOH C 356 14.047 18.764 52.233 1.00 45.20 O HETATM 1187 O HOH C 360 -0.154 1.958 35.158 1.00 51.03 O HETATM 1188 O HOH C 361 -2.018 0.234 36.813 1.00 56.44 O HETATM 1189 O HOH C 362 -3.395 -0.536 34.232 1.00 59.68 O HETATM 1190 O HOH C 363 -2.294 0.326 31.512 1.00 67.74 O HETATM 1191 O HOH C 364 -4.701 2.167 34.188 1.00 54.67 O HETATM 1192 O HOH C 367 -2.839 -2.001 41.152 1.00 45.95 O HETATM 1193 O HOH C 369 -2.838 -1.090 51.218 1.00 44.29 O HETATM 1194 O HOH A 301 9.912 8.281 29.623 1.00 35.16 O HETATM 1195 O HOH A 302 14.067 7.935 30.350 1.00 32.75 O HETATM 1196 O HOH A 303 16.368 9.426 31.008 1.00 43.92 O HETATM 1197 O HOH A 304 14.320 5.540 32.713 1.00 28.19 O HETATM 1198 O HOH A 305 10.302 5.083 38.048 1.00 42.30 O HETATM 1199 O HOH A 306 8.770 5.478 35.416 1.00 37.87 O HETATM 1200 O HOH A 307 13.033 0.083 42.580 1.00 29.29 O HETATM 1201 O HOH A 308 11.959 -2.622 51.418 1.00 34.60 O HETATM 1202 O HOH A 309 8.023 -5.013 54.827 1.00 34.62 O HETATM 1203 O HOH A 310 6.232 -6.854 57.305 1.00 56.72 O HETATM 1204 O HOH A 311 8.059 -3.900 59.717 1.00 41.77 O HETATM 1205 O HOH A 312 9.012 -1.806 61.122 1.00 41.69 O HETATM 1206 O HOH A 313 16.562 3.059 53.652 1.00 26.53 O HETATM 1207 O HOH A 314 19.214 0.054 52.777 1.00 37.13 O HETATM 1208 O HOH A 316 7.308 6.572 50.658 1.00 27.04 O HETATM 1209 O HOH A 317 10.064 9.251 47.329 1.00 24.17 O HETATM 1210 O HOH A 319 11.182 12.509 41.765 1.00 32.92 O HETATM 1211 O HOH A 320 11.913 15.276 41.462 1.00 38.79 O HETATM 1212 O HOH A 321 11.802 17.256 37.878 1.00 35.03 O HETATM 1213 O HOH A 323 14.225 12.841 36.773 1.00 30.20 O HETATM 1214 O HOH A 327 8.681 23.306 39.932 1.00 37.58 O HETATM 1215 O HOH A 328 8.738 26.381 39.553 1.00 36.93 O HETATM 1216 O HOH A 329 10.521 26.160 37.253 1.00 30.75 O HETATM 1217 O HOH A 343 3.981 12.408 39.650 1.00 30.95 O HETATM 1218 O HOH A 344 3.974 13.460 42.476 1.00 43.96 O HETATM 1219 O HOH A 347 4.703 9.380 38.571 1.00 40.74 O HETATM 1220 O HOH A 348 3.493 4.904 40.998 1.00 29.47 O HETATM 1221 O HOH A 352 1.565 7.891 53.731 1.00 30.62 O HETATM 1222 O HOH A 353 7.309 3.731 56.983 1.00 36.54 O HETATM 1223 O HOH A 354 8.492 5.067 63.884 1.00 42.30 O HETATM 1224 O HOH A 357 12.662 11.933 29.894 1.00 26.92 O HETATM 1225 O HOH A 358 9.174 19.289 26.068 1.00 56.57 O HETATM 1226 O HOH A 359 1.661 23.055 31.729 1.00 36.05 O HETATM 1227 O HOH A 368 1.503 -1.127 48.970 1.00 31.62 O HETATM 1228 O HOH A 370 1.015 -2.222 55.397 1.00 34.95 O HETATM 1229 O HOH A 371 0.018 -0.844 57.541 1.00 36.57 O HETATM 1230 O HOH A 372 2.677 -1.696 58.806 1.00 33.78 O HETATM 1231 O HOH A 373 4.088 -3.925 59.925 1.00 33.50 O HETATM 1232 O HOH A 374 -2.881 7.695 54.368 1.00 29.66 O HETATM 1233 O HOH A 376 -7.506 7.434 66.292 1.00 44.14 O HETATM 1234 O HOH A 377 -10.322 1.402 62.019 1.00 40.81 O HETATM 1235 O HOH A 378 -9.453 0.267 49.445 1.00 43.59 O HETATM 1236 O HOH A 386 -9.149 8.440 53.083 1.00 33.00 O HETATM 1237 O HOH A 387 1.365 35.761 31.584 1.00 31.98 O CONECT 488 1147 CONECT 523 1147 CONECT 637 1147 CONECT 674 1147 CONECT 736 1148 CONECT 761 1148 CONECT 872 1148 CONECT 908 1148 CONECT 966 1149 CONECT 988 1149 CONECT 1103 1149 CONECT 1137 1149 CONECT 1147 488 523 637 674 CONECT 1148 736 761 872 908 CONECT 1149 966 988 1103 1137 END