USER MOD reduce.3.24.130724 H: found=0, std=0, add=961, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER TRANSCRIPTION/DNA 10-DEC-97 1A1L TITLE ZIF268 ZINC FINGER-DNA COMPLEX (GCAC SITE) COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*CP*AP*C)-3'); COMPND 3 CHAIN: B; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: DNA (5'-D(*TP*GP*TP*GP*CP*CP*CP*AP*CP*GP*C)-3'); COMPND 7 CHAIN: C; COMPND 8 ENGINEERED: YES; COMPND 9 MOL_ID: 3; COMPND 0 MOLECULE: PROTEIN (ZIF268 ZINC FINGER PEPTIDE); COMPND 1 CHAIN: A; COMPND 2 FRAGMENT: ZINC FINGER; COMPND 3 SYNONYM: ZIF268 ZINC FINGER PEPTIDE; COMPND 4 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: PZIF268 KEYWDS ZINC FINGER-DNA COMPLEX, ZINC FINGER, DNA-BINDING PROTEIN, KEYWDS 2 TRANSCRIPTION/DNA COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR M.ELROD-ERICKSON,T.E.BENSON,C.O.PABO REVDAT 2 24-FEB-09 1A1L 1 VERSN REVDAT 1 17-JUN-98 1A1L 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. 2.30 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.843 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.30 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) (%) : 91.2 REMARK 3 NUMBER OF REFLECTIONS : 21186 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.196 REMARK 3 FREE R VALUE : 0.267 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 11.100 REMARK 3 FREE R VALUE TEST SET COUNT : 758 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.010 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) : 2.30 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.40 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 66.30 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 539 REMARK 3 BIN R VALUE (WORKING SET) : 0.2750 REMARK 3 BIN FREE R VALUE : 0.2970 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 13.20 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 82 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.030 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 719 REMARK 3 NUCLEIC ACID ATOMS : 445 REMARK 3 HETEROGEN ATOMS : 3 REMARK 3 SOLVENT ATOMS : 101 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 32.30 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 7.71900 REMARK 3 B22 (A**2) : 15.04000 REMARK 3 B33 (A**2) : 11.26000 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) : 0.007 REMARK 3 BOND ANGLES (DEGREES) : 1.20 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 24.00 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.20 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) : 1.610 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 2.580 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 2.780 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 4.290 ; 2.500 REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PARHCSDX.PRO REMARK 3 PARAMETER FILE 2 : PARNDBX.DNA REMARK 3 PARAMETER FILE 3 : NULL REMARK 3 TOPOLOGY FILE 1 : TOPHCSDX.PRO REMARK 3 TOPOLOGY FILE 2 : TOPNDBX.DNA REMARK 3 TOPOLOGY FILE 3 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1A1L COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 15-JUL-95 REMARK 200 TEMPERATURE (KELVIN) : 130.00 REMARK 200 PH : 8.0 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RU200 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : NULL REMARK 200 MONOCHROMATOR : YALE MIRRORS REMARK 200 OPTICS : YALE MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IIC REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 6831 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.300 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 (%) : 91.2 REMARK 200 DATA REDUNDANCY : 4.100 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.05500 REMARK 200 FOR THE DATA SET : 26.6000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.30 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.38 REMARK 200 COMPLETENESS FOR SHELL (%) : 65.2 REMARK 200 DATA REDUNDANCY IN SHELL : 2.60 REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.12700 REMARK 200 FOR SHELL : 7.600 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: ISOMORPHOUS MOLECULAR REMARK 200 REPLACEMENT REMARK 200 SOFTWARE USED: X-PLOR REMARK 200 STARTING MODEL: PDB ENTRY 1AAY, WITHOUT WATERS AND WITHOUT SIDE REMARK 200 CHAINS FOR RESIDUES 18 - 24 REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): NULL REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): NULL REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 35% PEG 1450, 300MM NACL, 25 MM BIS REMARK 280 TRIS PROPANE PH 8.0, VAPOR DIFFUSION, HANGING DROP REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 2 2 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -X,Y,-Z+1/2 REMARK 290 4555 X,-Y,-Z REMARK 290 5555 X+1/2,Y+1/2,Z REMARK 290 6555 -X+1/2,-Y+1/2,Z+1/2 REMARK 290 7555 -X+1/2,Y+1/2,-Z+1/2 REMARK 290 8555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 66.25000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 66.25000 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 21.65000 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 21.65000 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 27.95000 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 66.25000 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 21.65000 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 27.95000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 66.25000 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 21.65000 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 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 SER A 117 -70.98 -76.27 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 201 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 107 SG REMARK 620 2 CYS A 112 SG 110.1 REMARK 620 3 HIS A 125 NE2 103.9 110.4 REMARK 620 4 HIS A 129 NE2 106.3 111.2 114.6 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 108.4 REMARK 620 3 HIS A 153 NE2 113.8 108.7 REMARK 620 4 HIS A 157 NE2 107.0 120.0 99.0 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 116.3 REMARK 620 3 HIS A 181 NE2 106.5 101.3 REMARK 620 4 HIS A 185 NE2 104.4 119.4 108.1 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 1A1L A 102 190 UNP P08046 EGR1_MOUSE 308 396 DBREF 1A1L B 1 11 PDB 1A1L 1A1L 1 11 DBREF 1A1L C 51 61 PDB 1A1L 1A1L 51 61 SEQRES 1 B 11 DA DG DC DG DT DG DG DG DC DA DC SEQRES 1 C 11 DT DG DT DG DC DC DC DA DC DG DC SEQRES 1 A 90 MET GLU ARG PRO TYR ALA CYS PRO VAL GLU SER CYS ASP SEQRES 2 A 90 ARG ARG PHE SER ARG SER ASP GLU 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 *101(H2 O) HELIX 1 1 SER A 119 THR A 130 1 12 HELIX 2 2 SER A 147 THR A 158 1 12 HELIX 3 3 SER A 175 HIS A 185 1 11 SHEET 1 A 2 TYR A 105 ALA A 106 0 SHEET 2 A 2 ARG A 115 PHE A 116 -1 N PHE A 116 O TYR A 105 SHEET 1 B 2 PHE A 135 GLN A 136 0 SHEET 2 B 2 ASN A 143 PHE A 144 -1 N PHE A 144 O PHE A 135 SHEET 1 C 2 PHE A 163 ALA A 164 0 SHEET 2 C 2 LYS A 171 PHE A 172 -1 O PHE A 172 N PHE A 163 LINK ZN ZN A 201 SG CYS A 107 1555 1555 2.25 LINK ZN ZN A 201 SG CYS A 112 1555 1555 2.17 LINK ZN ZN A 201 NE2 HIS A 125 1555 1555 2.20 LINK ZN ZN A 201 NE2 HIS A 129 1555 1555 1.92 LINK ZN ZN A 202 SG CYS A 137 1555 1555 2.19 LINK ZN ZN A 202 SG CYS A 140 1555 1555 2.22 LINK ZN ZN A 202 NE2 HIS A 153 1555 1555 2.06 LINK ZN ZN A 202 NE2 HIS A 157 1555 1555 1.95 LINK ZN ZN A 203 SG CYS A 165 1555 1555 2.25 LINK ZN ZN A 203 SG CYS A 168 1555 1555 2.48 LINK ZN ZN A 203 NE2 HIS A 181 1555 1555 2.17 LINK ZN ZN A 203 NE2 HIS A 185 1555 1555 1.97 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 43.300 55.900 132.500 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 0.023095 0.000000 0.000000 0.00000 SCALE2 0.000000 0.017889 0.000000 0.00000 SCALE3 0.000000 0.000000 0.007547 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= 1.82 K(o=1.8,f=-9.2!) USER MOD Set 1.2: B 5 DT C7 :methyl -30:sc= -0.0303 (180deg=-0.0138) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot -84:sc= 0.324 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 130 THR OG1 : rot -160:sc= 1.03 USER MOD Single : A 132 GLN : amide:sc= -0.284 X(o=-0.28,f=-0.53) USER MOD Single : A 133 LYS NZ :NH3+ -139:sc= -0.0238 (180deg=-0.822) USER MOD Single : A 136 GLN : amide:sc= 0.239 K(o=0.24,f=-0.3) USER MOD Single : A 141 MET CE :methyl -175:sc= -0.0561 (180deg=-0.115) USER MOD Single : A 143 ASN : amide:sc= -1.99 K(o=-2,f=0.45) USER MOD Single : A 145 SER OG : rot 168:sc= 0.555 USER MOD Single : A 147 SER OG : rot -145:sc= 2.33 USER MOD Single : A 151 THR OG1 : rot 159:sc= 1.2 USER MOD Single : A 152 THR OG1 : rot -3:sc= 1.73 USER MOD Single : A 156 THR OG1 : rot -65:sc= 1.31 USER MOD Single : A 158 THR OG1 : rot -163:sc= 1.08 USER MOD Single : A 161 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 171 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 175 SER OG : rot 179:sc= 1.98 USER MOD Single : A 179 LYS NZ :NH3+ -170:sc= 1.57 (180deg=0.997!) USER MOD Single : A 182 THR OG1 : rot 71:sc= 0.612 USER MOD Single : A 183 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 DA O5' : rot 82:sc= 1.34 USER MOD Single : B 11 DC O3' : rot 29:sc= 1.85 USER MOD Single : C 51 DT C7 :methyl -30:sc= -0.727 (180deg=-0.791) USER MOD Single : C 51 DT O5' : rot 180:sc=-0.00795 USER MOD Single : C 53 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : C 61 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA B 1 12.173 23.980 40.892 1.00 39.67 O ATOM 2 C5' DA B 1 13.405 24.416 40.329 1.00 34.30 C ATOM 3 C4' DA B 1 14.566 23.619 40.876 1.00 36.44 C ATOM 4 O4' DA B 1 14.755 23.935 42.278 1.00 34.70 O ATOM 5 C3' DA B 1 14.384 22.103 40.803 1.00 35.60 C ATOM 6 O3' DA B 1 15.623 21.481 40.450 1.00 37.22 O ATOM 7 C2' DA B 1 13.960 21.726 42.213 1.00 34.53 C ATOM 8 C1' DA B 1 14.684 22.755 43.066 1.00 30.93 C ATOM 9 N9 DA B 1 13.995 23.095 44.313 1.00 27.07 N ATOM 10 C8 DA B 1 14.417 22.849 45.596 1.00 25.22 C ATOM 11 N7 DA B 1 13.597 23.296 46.517 1.00 21.72 N ATOM 12 C5 DA B 1 12.563 23.868 45.793 1.00 22.78 C ATOM 13 C6 DA B 1 11.380 24.518 46.188 1.00 26.61 C ATOM 14 N6 DA B 1 11.031 24.720 47.463 1.00 25.12 N ATOM 15 N1 DA B 1 10.557 24.967 45.213 1.00 27.68 N ATOM 16 C2 DA B 1 10.909 24.773 43.936 1.00 27.80 C ATOM 17 N3 DA B 1 11.995 24.182 43.443 1.00 27.25 N ATOM 18 C4 DA B 1 12.791 23.746 44.433 1.00 24.17 C ATOM 0 H5' DA B 1 13.536 25.358 40.521 1.00 34.30 H new ATOM 0 H5'' DA B 1 13.373 24.325 39.364 1.00 34.30 H new ATOM 0 H4' DA B 1 15.322 23.865 40.320 1.00 36.44 H new ATOM 0 H3' DA B 1 13.738 21.821 40.137 1.00 35.60 H new ATOM 0 H2' DA B 1 12.998 21.777 42.326 1.00 34.53 H new ATOM 0 H2'' DA B 1 14.224 20.820 42.439 1.00 34.53 H new ATOM 0 HO5' DA B 1 12.070 24.333 41.647 1.00 39.67 H new ATOM 0 H1' DA B 1 15.544 22.385 43.320 1.00 30.93 H new ATOM 0 H8 DA B 1 15.211 22.406 45.794 1.00 25.22 H new ATOM 0 H61 DA B 1 10.295 25.124 47.648 1.00 25.12 H new ATOM 0 H62 DA B 1 11.543 24.446 48.097 1.00 25.12 H new ATOM 0 H2 DA B 1 10.309 25.097 43.303 1.00 27.80 H new ATOM 19 P DG B 2 15.649 19.929 40.045 1.00 36.95 P ATOM 20 OP1 DG B 2 16.927 19.650 39.346 1.00 37.84 O ATOM 21 OP2 DG B 2 14.361 19.602 39.380 1.00 38.11 O ATOM 22 O5' DG B 2 15.695 19.187 41.449 1.00 37.97 O ATOM 23 C5' DG B 2 16.897 19.195 42.230 1.00 36.92 C ATOM 24 C4' DG B 2 16.759 18.270 43.415 1.00 34.94 C ATOM 25 O4' DG B 2 15.948 18.882 44.444 1.00 34.40 O ATOM 26 C3' DG B 2 16.106 16.924 43.102 1.00 33.63 C ATOM 27 O3' DG B 2 16.798 15.893 43.808 1.00 35.87 O ATOM 28 C2' DG B 2 14.689 17.090 43.626 1.00 31.38 C ATOM 29 C1' DG B 2 14.914 17.991 44.827 1.00 32.71 C ATOM 30 N9 DG B 2 13.770 18.792 45.254 1.00 28.04 N ATOM 31 C8 DG B 2 12.804 19.363 44.463 1.00 25.73 C ATOM 32 N7 DG B 2 11.923 20.046 45.144 1.00 24.94 N ATOM 33 C5 DG B 2 12.330 19.913 46.465 1.00 23.03 C ATOM 34 C6 DG B 2 11.771 20.440 47.659 1.00 22.89 C ATOM 35 O6 DG B 2 10.769 21.155 47.796 1.00 28.20 O ATOM 36 N1 DG B 2 12.503 20.058 48.778 1.00 23.82 N ATOM 37 C2 DG B 2 13.628 19.270 48.753 1.00 23.54 C ATOM 38 N2 DG B 2 14.193 19.010 49.940 1.00 23.31 N ATOM 39 N3 DG B 2 14.158 18.774 47.651 1.00 21.44 N ATOM 40 C4 DG B 2 13.464 19.135 46.551 1.00 25.14 C ATOM 0 H5' DG B 2 17.085 20.096 42.536 1.00 36.92 H new ATOM 0 H5'' DG B 2 17.648 18.919 41.682 1.00 36.92 H new ATOM 0 H4' DG B 2 17.673 18.112 43.699 1.00 34.94 H new ATOM 0 H3' DG B 2 16.125 16.683 42.163 1.00 33.63 H new ATOM 0 H2' DG B 2 14.102 17.497 42.969 1.00 31.38 H new ATOM 0 H2'' DG B 2 14.290 16.242 43.876 1.00 31.38 H new ATOM 0 H1' DG B 2 15.113 17.417 45.583 1.00 32.71 H new ATOM 0 H8 DG B 2 12.779 19.273 43.538 1.00 25.73 H new ATOM 0 H1 DG B 2 12.230 20.336 49.545 1.00 23.82 H new ATOM 0 H21 DG B 2 14.900 18.522 49.982 1.00 23.31 H new ATOM 0 H22 DG B 2 13.849 19.332 50.660 1.00 23.31 H new ATOM 41 P DC B 3 16.379 14.360 43.591 1.00 37.49 P ATOM 42 OP1 DC B 3 17.579 13.519 43.834 1.00 33.91 O ATOM 43 OP2 DC B 3 15.657 14.255 42.298 1.00 36.85 O ATOM 44 O5' DC B 3 15.328 14.108 44.757 1.00 33.89 O ATOM 45 C5' DC B 3 15.703 14.317 46.122 1.00 28.82 C ATOM 46 C4' DC B 3 14.521 14.084 47.031 1.00 28.66 C ATOM 47 O4' DC B 3 13.657 15.246 47.110 1.00 26.79 O ATOM 48 C3' DC B 3 13.618 12.909 46.640 1.00 27.44 C ATOM 49 O3' DC B 3 13.232 12.227 47.830 1.00 25.59 O ATOM 50 C2' DC B 3 12.386 13.601 46.091 1.00 25.79 C ATOM 51 C1' DC B 3 12.333 14.753 47.068 1.00 26.71 C ATOM 52 N1 DC B 3 11.414 15.864 46.783 1.00 25.16 N ATOM 53 C2 DC B 3 11.052 16.715 47.839 1.00 25.43 C ATOM 54 O2 DC B 3 11.575 16.546 48.954 1.00 24.22 O ATOM 55 N3 DC B 3 10.149 17.694 47.619 1.00 24.66 N ATOM 56 C4 DC B 3 9.619 17.850 46.405 1.00 23.69 C ATOM 57 N4 DC B 3 8.712 18.813 46.243 1.00 27.82 N ATOM 58 C5 DC B 3 9.993 17.020 45.304 1.00 20.67 C ATOM 59 C6 DC B 3 10.888 16.051 45.536 1.00 21.43 C ATOM 0 H5' DC B 3 16.035 15.221 46.238 1.00 28.82 H new ATOM 0 H5'' DC B 3 16.426 13.716 46.361 1.00 28.82 H new ATOM 0 H4' DC B 3 14.946 13.884 47.880 1.00 28.66 H new ATOM 0 H3' DC B 3 14.034 12.283 46.027 1.00 27.44 H new ATOM 0 H2' DC B 3 12.493 13.890 45.171 1.00 25.79 H new ATOM 0 H2'' DC B 3 11.594 13.042 46.122 1.00 25.79 H new ATOM 0 H1' DC B 3 11.978 14.402 47.899 1.00 26.71 H new ATOM 0 H41 DC B 3 8.352 18.939 45.472 1.00 27.82 H new ATOM 0 H42 DC B 3 8.487 19.308 46.909 1.00 27.82 H new ATOM 0 H5 DC B 3 9.629 17.148 44.458 1.00 20.67 H new ATOM 0 H6 DC B 3 11.155 15.497 44.838 1.00 21.43 H new ATOM 60 P DG B 4 13.246 10.626 47.881 1.00 23.84 P ATOM 61 OP1 DG B 4 14.592 10.151 47.482 1.00 23.38 O ATOM 62 OP2 DG B 4 12.044 10.130 47.159 1.00 23.02 O ATOM 63 O5' DG B 4 13.045 10.336 49.431 1.00 21.79 O ATOM 64 C5' DG B 4 13.939 10.903 50.401 1.00 17.67 C ATOM 65 C4' DG B 4 13.172 11.344 51.624 1.00 18.81 C ATOM 66 O4' DG B 4 12.458 12.576 51.362 1.00 20.70 O ATOM 67 C3' DG B 4 12.126 10.339 52.100 1.00 21.35 C ATOM 68 O3' DG B 4 12.138 10.268 53.523 1.00 24.79 O ATOM 69 C2' DG B 4 10.818 10.928 51.602 1.00 22.72 C ATOM 70 C1' DG B 4 11.083 12.420 51.679 1.00 17.36 C ATOM 71 N9 DG B 4 10.311 13.207 50.722 1.00 18.48 N ATOM 72 C8 DG B 4 10.411 13.165 49.351 1.00 16.13 C ATOM 73 N7 DG B 4 9.585 13.978 48.751 1.00 17.34 N ATOM 74 C5 DG B 4 8.894 14.596 49.786 1.00 16.88 C ATOM 75 C6 DG B 4 7.860 15.574 49.750 1.00 16.62 C ATOM 76 O6 DG B 4 7.328 16.099 48.763 1.00 21.64 O ATOM 77 N1 DG B 4 7.445 15.928 51.028 1.00 14.81 N ATOM 78 C2 DG B 4 7.953 15.410 52.193 1.00 17.98 C ATOM 79 N2 DG B 4 7.425 15.891 53.329 1.00 16.92 N ATOM 80 N3 DG B 4 8.910 14.492 52.244 1.00 16.85 N ATOM 81 C4 DG B 4 9.331 14.135 51.011 1.00 18.18 C ATOM 0 H5' DG B 4 14.408 11.660 50.015 1.00 17.67 H new ATOM 0 H5'' DG B 4 14.611 10.250 50.651 1.00 17.67 H new ATOM 0 H4' DG B 4 13.850 11.445 52.311 1.00 18.81 H new ATOM 0 H3' DG B 4 12.278 9.438 51.775 1.00 21.35 H new ATOM 0 H2' DG B 4 10.614 10.643 50.697 1.00 22.72 H new ATOM 0 H2'' DG B 4 10.068 10.665 52.158 1.00 22.72 H new ATOM 0 H1' DG B 4 10.832 12.737 52.561 1.00 17.36 H new ATOM 0 H8 DG B 4 11.007 12.613 48.898 1.00 16.13 H new ATOM 0 H1 DG B 4 6.822 16.517 51.094 1.00 14.81 H new ATOM 0 H21 DG B 4 7.705 15.603 54.089 1.00 16.92 H new ATOM 0 H22 DG B 4 6.807 16.488 53.297 1.00 16.92 H new ATOM 82 P DT B 5 11.472 9.009 54.258 1.00 24.25 P ATOM 83 OP1 DT B 5 12.008 8.951 55.639 1.00 22.66 O ATOM 84 OP2 DT B 5 11.605 7.828 53.366 1.00 23.49 O ATOM 85 O5' DT B 5 9.934 9.398 54.316 1.00 25.11 O ATOM 86 C5' DT B 5 9.490 10.498 55.115 1.00 23.68 C ATOM 87 C4' DT B 5 8.005 10.703 54.933 1.00 27.14 C ATOM 88 O4' DT B 5 7.717 11.513 53.765 1.00 27.72 O ATOM 89 C3' DT B 5 7.203 9.409 54.765 1.00 30.86 C ATOM 90 O3' DT B 5 6.018 9.478 55.554 1.00 33.51 O ATOM 91 C2' DT B 5 6.817 9.427 53.295 1.00 29.32 C ATOM 92 C1' DT B 5 6.620 10.913 53.100 1.00 25.43 C ATOM 93 N1 DT B 5 6.573 11.413 51.714 1.00 21.80 N ATOM 94 C2 DT B 5 5.780 12.510 51.477 1.00 20.24 C ATOM 95 O2 DT B 5 5.191 13.106 52.363 1.00 19.58 O ATOM 96 N3 DT B 5 5.705 12.892 50.160 1.00 19.28 N ATOM 97 C4 DT B 5 6.341 12.306 49.083 1.00 19.03 C ATOM 98 O4 DT B 5 6.157 12.744 47.952 1.00 20.38 O ATOM 99 C5 DT B 5 7.192 11.181 49.409 1.00 17.43 C ATOM 100 C7 DT B 5 7.951 10.505 48.310 1.00 15.36 C ATOM 101 C6 DT B 5 7.263 10.794 50.691 1.00 21.13 C ATOM 0 H5' DT B 5 9.968 11.304 54.864 1.00 23.68 H new ATOM 0 H5'' DT B 5 9.689 10.330 56.049 1.00 23.68 H new ATOM 0 H4' DT B 5 7.735 11.140 55.756 1.00 27.14 H new ATOM 0 H3' DT B 5 7.695 8.616 55.031 1.00 30.86 H new ATOM 0 H2' DT B 5 7.513 9.066 52.723 1.00 29.32 H new ATOM 0 H2'' DT B 5 6.011 8.918 53.116 1.00 29.32 H new ATOM 0 H1' DT B 5 5.741 11.135 53.444 1.00 25.43 H new ATOM 0 H3 DT B 5 5.207 13.571 49.987 1.00 19.28 H new ATOM 0 H71 DT B 5 7.454 10.579 47.480 1.00 15.36 H new ATOM 0 H72 DT B 5 8.817 10.929 48.207 1.00 15.36 H new ATOM 0 H73 DT B 5 8.074 9.568 48.530 1.00 15.36 H new ATOM 0 H6 DT B 5 7.806 10.069 50.902 1.00 21.13 H new ATOM 102 P DG B 6 5.465 8.158 56.284 1.00 35.84 P ATOM 103 OP1 DG B 6 6.433 7.802 57.354 1.00 37.98 O ATOM 104 OP2 DG B 6 5.098 7.144 55.258 1.00 31.24 O ATOM 105 O5' DG B 6 4.133 8.677 56.977 1.00 36.35 O ATOM 106 C5' DG B 6 4.146 9.875 57.771 1.00 34.33 C ATOM 107 C4' DG B 6 2.929 10.715 57.469 1.00 32.04 C ATOM 108 O4' DG B 6 3.037 11.293 56.144 1.00 30.56 O ATOM 109 C3' DG B 6 1.616 9.932 57.488 1.00 33.85 C ATOM 110 O3' DG B 6 0.600 10.701 58.132 1.00 37.44 O ATOM 111 C2' DG B 6 1.298 9.730 56.017 1.00 31.25 C ATOM 112 C1' DG B 6 1.879 10.982 55.383 1.00 29.65 C ATOM 113 N9 DG B 6 2.284 10.816 53.989 1.00 26.59 N ATOM 114 C8 DG B 6 3.223 9.943 53.496 1.00 24.64 C ATOM 115 N7 DG B 6 3.357 10.015 52.200 1.00 22.75 N ATOM 116 C5 DG B 6 2.454 10.996 51.812 1.00 21.24 C ATOM 117 C6 DG B 6 2.148 11.506 50.524 1.00 19.91 C ATOM 118 O6 DG B 6 2.625 11.178 49.432 1.00 21.83 O ATOM 119 N1 DG B 6 1.174 12.495 50.584 1.00 19.61 N ATOM 120 C2 DG B 6 0.567 12.936 51.734 1.00 18.60 C ATOM 121 N2 DG B 6 -0.353 13.900 51.582 1.00 15.71 N ATOM 122 N3 DG B 6 0.840 12.467 52.939 1.00 21.47 N ATOM 123 C4 DG B 6 1.787 11.505 52.904 1.00 22.12 C ATOM 0 H5' DG B 6 4.952 10.383 57.588 1.00 34.33 H new ATOM 0 H5'' DG B 6 4.163 9.646 58.713 1.00 34.33 H new ATOM 0 H4' DG B 6 2.907 11.385 58.170 1.00 32.04 H new ATOM 0 H3' DG B 6 1.673 9.093 57.972 1.00 33.85 H new ATOM 0 H2' DG B 6 1.707 8.924 55.666 1.00 31.25 H new ATOM 0 H2'' DG B 6 0.344 9.655 55.860 1.00 31.25 H new ATOM 0 H1' DG B 6 1.197 11.672 55.384 1.00 29.65 H new ATOM 0 H8 DG B 6 3.713 9.361 54.031 1.00 24.64 H new ATOM 0 H1 DG B 6 0.933 12.859 49.843 1.00 19.61 H new ATOM 0 H21 DG B 6 -0.765 14.214 52.269 1.00 15.71 H new ATOM 0 H22 DG B 6 -0.531 14.204 50.798 1.00 15.71 H new ATOM 124 P DG B 7 -0.760 9.988 58.602 1.00 35.49 P ATOM 125 OP1 DG B 7 -1.111 10.502 59.947 1.00 39.42 O ATOM 126 OP2 DG B 7 -0.613 8.528 58.390 1.00 35.26 O ATOM 127 O5' DG B 7 -1.824 10.551 57.564 1.00 36.06 O ATOM 128 C5' DG B 7 -2.032 11.967 57.445 1.00 34.56 C ATOM 129 C4' DG B 7 -3.044 12.255 56.364 1.00 34.38 C ATOM 130 O4' DG B 7 -2.432 12.158 55.055 1.00 29.38 O ATOM 131 C3' DG B 7 -4.235 11.298 56.355 1.00 35.25 C ATOM 132 O3' DG B 7 -5.437 12.038 56.136 1.00 40.40 O ATOM 133 C2' DG B 7 -3.935 10.373 55.187 1.00 32.93 C ATOM 134 C1' DG B 7 -3.211 11.305 54.234 1.00 29.30 C ATOM 135 N9 DG B 7 -2.319 10.665 53.271 1.00 27.37 N ATOM 136 C8 DG B 7 -1.327 9.748 53.527 1.00 27.60 C ATOM 137 N7 DG B 7 -0.689 9.368 52.451 1.00 24.51 N ATOM 138 C5 DG B 7 -1.298 10.076 51.422 1.00 25.38 C ATOM 139 C6 DG B 7 -1.035 10.082 50.021 1.00 25.50 C ATOM 140 O6 DG B 7 -0.182 9.444 49.391 1.00 27.25 O ATOM 141 N1 DG B 7 -1.893 10.942 49.343 1.00 24.55 N ATOM 142 C2 DG B 7 -2.878 11.697 49.930 1.00 27.75 C ATOM 143 N2 DG B 7 -3.611 12.459 49.102 1.00 27.83 N ATOM 144 N3 DG B 7 -3.131 11.704 51.230 1.00 28.12 N ATOM 145 C4 DG B 7 -2.308 10.876 51.911 1.00 27.45 C ATOM 0 H5' DG B 7 -1.193 12.408 57.238 1.00 34.56 H new ATOM 0 H5'' DG B 7 -2.341 12.328 58.291 1.00 34.56 H new ATOM 0 H4' DG B 7 -3.362 13.150 56.560 1.00 34.38 H new ATOM 0 H3' DG B 7 -4.358 10.812 57.186 1.00 35.25 H new ATOM 0 H2' DG B 7 -3.382 9.621 55.451 1.00 32.93 H new ATOM 0 H2'' DG B 7 -4.743 10.007 54.795 1.00 32.93 H new ATOM 0 H1' DG B 7 -3.884 11.749 53.694 1.00 29.30 H new ATOM 0 H8 DG B 7 -1.130 9.430 54.379 1.00 27.60 H new ATOM 0 H1 DG B 7 -1.799 11.006 48.491 1.00 24.55 H new ATOM 0 H21 DG B 7 -4.242 12.952 49.417 1.00 27.83 H new ATOM 0 H22 DG B 7 -3.450 12.454 48.257 1.00 27.83 H new ATOM 146 P DG B 8 -6.848 11.274 56.079 1.00 42.53 P ATOM 147 OP1 DG B 8 -7.859 12.146 56.726 1.00 43.25 O ATOM 148 OP2 DG B 8 -6.658 9.884 56.565 1.00 43.98 O ATOM 149 O5' DG B 8 -7.159 11.221 54.521 1.00 38.98 O ATOM 150 C5' DG B 8 -7.407 12.433 53.790 1.00 34.41 C ATOM 151 C4' DG B 8 -8.044 12.114 52.459 1.00 33.82 C ATOM 152 O4' DG B 8 -7.043 11.607 51.546 1.00 31.95 O ATOM 153 C3' DG B 8 -9.139 11.050 52.533 1.00 36.61 C ATOM 154 O3' DG B 8 -10.239 11.404 51.692 1.00 39.82 O ATOM 155 C2' DG B 8 -8.449 9.793 52.034 1.00 33.65 C ATOM 156 C1' DG B 8 -7.443 10.344 51.039 1.00 31.63 C ATOM 157 N9 DG B 8 -6.247 9.523 50.894 1.00 28.11 N ATOM 158 C8 DG B 8 -5.558 8.880 51.895 1.00 26.09 C ATOM 159 N7 DG B 8 -4.524 8.215 51.459 1.00 23.17 N ATOM 160 C5 DG B 8 -4.528 8.432 50.088 1.00 25.77 C ATOM 161 C6 DG B 8 -3.647 7.965 49.081 1.00 24.60 C ATOM 162 O6 DG B 8 -2.651 7.242 49.204 1.00 29.13 O ATOM 163 N1 DG B 8 -4.021 8.421 47.820 1.00 18.88 N ATOM 164 C2 DG B 8 -5.105 9.220 47.562 1.00 20.01 C ATOM 165 N2 DG B 8 -5.305 9.543 46.275 1.00 21.22 N ATOM 166 N3 DG B 8 -5.932 9.668 48.490 1.00 22.09 N ATOM 167 C4 DG B 8 -5.587 9.237 49.723 1.00 26.62 C ATOM 0 H5' DG B 8 -6.575 12.912 53.652 1.00 34.41 H new ATOM 0 H5'' DG B 8 -7.988 13.016 54.303 1.00 34.41 H new ATOM 0 H4' DG B 8 -8.441 12.947 52.161 1.00 33.82 H new ATOM 0 H3' DG B 8 -9.509 10.943 53.423 1.00 36.61 H new ATOM 0 H2' DG B 8 -8.016 9.308 52.754 1.00 33.65 H new ATOM 0 H2'' DG B 8 -9.073 9.180 51.615 1.00 33.65 H new ATOM 0 H1' DG B 8 -7.864 10.378 50.166 1.00 31.63 H new ATOM 0 H8 DG B 8 -5.804 8.916 52.791 1.00 26.09 H new ATOM 0 H1 DG B 8 -3.535 8.183 47.152 1.00 18.88 H new ATOM 0 H21 DG B 8 -5.970 10.042 46.055 1.00 21.22 H new ATOM 0 H22 DG B 8 -4.768 9.251 45.670 1.00 21.22 H new ATOM 168 P DC B 9 -11.455 10.375 51.497 1.00 42.64 P ATOM 169 OP1 DC B 9 -12.629 11.148 51.022 1.00 44.92 O ATOM 170 OP2 DC B 9 -11.571 9.540 52.721 1.00 41.92 O ATOM 171 O5' DC B 9 -10.948 9.449 50.309 1.00 40.68 O ATOM 172 C5' DC B 9 -10.491 10.037 49.083 1.00 37.91 C ATOM 173 C4' DC B 9 -10.166 8.960 48.077 1.00 36.21 C ATOM 174 O4' DC B 9 -8.845 8.404 48.282 1.00 35.42 O ATOM 175 C3' DC B 9 -11.131 7.775 48.080 1.00 36.55 C ATOM 176 O3' DC B 9 -11.382 7.393 46.737 1.00 40.91 O ATOM 177 C2' DC B 9 -10.323 6.674 48.740 1.00 35.32 C ATOM 178 C1' DC B 9 -8.958 6.996 48.174 1.00 35.16 C ATOM 179 N1 DC B 9 -7.807 6.379 48.847 1.00 29.72 N ATOM 180 C2 DC B 9 -6.710 5.999 48.070 1.00 27.77 C ATOM 181 O2 DC B 9 -6.730 6.230 46.850 1.00 26.13 O ATOM 182 N3 DC B 9 -5.659 5.395 48.660 1.00 27.06 N ATOM 183 C4 DC B 9 -5.672 5.172 49.974 1.00 28.33 C ATOM 184 N4 DC B 9 -4.615 4.560 50.511 1.00 31.78 N ATOM 185 C5 DC B 9 -6.770 5.563 50.795 1.00 27.70 C ATOM 186 C6 DC B 9 -7.807 6.160 50.196 1.00 28.53 C ATOM 0 H5' DC B 9 -9.705 10.580 49.250 1.00 37.91 H new ATOM 0 H5'' DC B 9 -11.173 10.627 48.726 1.00 37.91 H new ATOM 0 H4' DC B 9 -10.235 9.426 47.229 1.00 36.21 H new ATOM 0 H3' DC B 9 -11.975 7.963 48.519 1.00 36.55 H new ATOM 0 H2' DC B 9 -10.346 6.723 49.708 1.00 35.32 H new ATOM 0 H2'' DC B 9 -10.629 5.787 48.494 1.00 35.32 H new ATOM 0 H1' DC B 9 -8.919 6.638 47.273 1.00 35.16 H new ATOM 0 H41 DC B 9 -4.593 4.402 51.356 1.00 31.78 H new ATOM 0 H42 DC B 9 -3.956 4.324 50.012 1.00 31.78 H new ATOM 0 H5 DC B 9 -6.766 5.409 51.712 1.00 27.70 H new ATOM 0 H6 DC B 9 -8.538 6.430 50.705 1.00 28.53 H new ATOM 187 P DA B 10 -12.804 6.782 46.338 1.00 39.66 P ATOM 188 OP1 DA B 10 -13.803 7.877 46.395 1.00 40.46 O ATOM 189 OP2 DA B 10 -13.004 5.553 47.152 1.00 35.76 O ATOM 190 O5' DA B 10 -12.589 6.366 44.820 1.00 34.44 O ATOM 191 C5' DA B 10 -11.919 7.251 43.910 1.00 33.10 C ATOM 192 C4' DA B 10 -11.060 6.458 42.955 1.00 33.46 C ATOM 193 O4' DA B 10 -9.873 5.974 43.631 1.00 33.67 O ATOM 194 C3' DA B 10 -11.763 5.226 42.390 1.00 34.87 C ATOM 195 O3' DA B 10 -11.473 5.085 41.000 1.00 36.23 O ATOM 196 C2' DA B 10 -11.182 4.078 43.199 1.00 32.35 C ATOM 197 C1' DA B 10 -9.773 4.565 43.496 1.00 30.59 C ATOM 198 N9 DA B 10 -9.185 4.035 44.731 1.00 28.16 N ATOM 199 C8 DA B 10 -9.610 4.223 46.027 1.00 25.68 C ATOM 200 N7 DA B 10 -8.865 3.617 46.923 1.00 21.47 N ATOM 201 C5 DA B 10 -7.883 2.987 46.167 1.00 24.05 C ATOM 202 C6 DA B 10 -6.781 2.184 46.525 1.00 23.22 C ATOM 203 N6 DA B 10 -6.470 1.865 47.782 1.00 23.67 N ATOM 204 N1 DA B 10 -6.000 1.713 45.527 1.00 20.83 N ATOM 205 C2 DA B 10 -6.309 2.033 44.265 1.00 19.91 C ATOM 206 N3 DA B 10 -7.313 2.778 43.804 1.00 21.02 N ATOM 207 C4 DA B 10 -8.069 3.232 44.817 1.00 25.47 C ATOM 0 H5' DA B 10 -11.370 7.880 44.404 1.00 33.10 H new ATOM 0 H5'' DA B 10 -12.571 7.771 43.415 1.00 33.10 H new ATOM 0 H4' DA B 10 -10.851 7.069 42.231 1.00 33.46 H new ATOM 0 H3' DA B 10 -12.730 5.270 42.456 1.00 34.87 H new ATOM 0 H2' DA B 10 -11.687 3.917 44.011 1.00 32.35 H new ATOM 0 H2'' DA B 10 -11.179 3.248 42.697 1.00 32.35 H new ATOM 0 H1' DA B 10 -9.195 4.263 42.778 1.00 30.59 H new ATOM 0 H8 DA B 10 -10.356 4.732 46.248 1.00 25.68 H new ATOM 0 H61 DA B 10 -5.785 1.371 47.943 1.00 23.67 H new ATOM 0 H62 DA B 10 -6.955 2.154 48.431 1.00 23.67 H new ATOM 0 H2 DA B 10 -5.741 1.685 43.616 1.00 19.91 H new ATOM 208 P DC B 11 -12.297 4.022 40.127 1.00 39.81 P ATOM 209 OP1 DC B 11 -12.303 4.476 38.711 1.00 36.54 O ATOM 210 OP2 DC B 11 -13.587 3.783 40.832 1.00 33.25 O ATOM 211 O5' DC B 11 -11.406 2.706 40.225 1.00 35.80 O ATOM 212 C5' DC B 11 -10.108 2.665 39.613 1.00 32.96 C ATOM 213 C4' DC B 11 -9.480 1.303 39.793 1.00 32.99 C ATOM 214 O4' DC B 11 -8.964 1.146 41.138 1.00 31.72 O ATOM 215 C3' DC B 11 -10.417 0.117 39.551 1.00 30.51 C ATOM 216 O3' DC B 11 -9.700 -0.921 38.887 1.00 33.12 O ATOM 217 C2' DC B 11 -10.712 -0.380 40.955 1.00 31.98 C ATOM 218 C1' DC B 11 -9.387 -0.108 41.643 1.00 30.18 C ATOM 219 N1 DC B 11 -9.430 -0.024 43.114 1.00 26.14 N ATOM 220 C2 DC B 11 -8.330 -0.494 43.847 1.00 24.52 C ATOM 221 O2 DC B 11 -7.352 -0.956 43.238 1.00 23.23 O ATOM 222 N3 DC B 11 -8.362 -0.433 45.195 1.00 24.37 N ATOM 223 C4 DC B 11 -9.433 0.063 45.815 1.00 23.07 C ATOM 224 N4 DC B 11 -9.421 0.094 47.148 1.00 25.61 N ATOM 225 C5 DC B 11 -10.565 0.550 45.096 1.00 18.80 C ATOM 226 C6 DC B 11 -10.519 0.490 43.760 1.00 21.86 C ATOM 0 H5' DC B 11 -9.538 3.344 40.006 1.00 32.96 H new ATOM 0 H5'' DC B 11 -10.184 2.870 38.668 1.00 32.96 H new ATOM 0 H4' DC B 11 -8.783 1.284 39.118 1.00 32.99 H new ATOM 0 H3' DC B 11 -11.198 0.355 39.028 1.00 30.51 H new ATOM 0 H2' DC B 11 -11.446 0.102 41.368 1.00 31.98 H new ATOM 0 H2'' DC B 11 -10.947 -1.321 40.969 1.00 31.98 H new ATOM 0 HO3' DC B 11 -8.887 -0.878 39.096 1.00 33.12 H new ATOM 0 H1' DC B 11 -8.796 -0.855 41.459 1.00 30.18 H new ATOM 0 H41 DC B 11 -10.097 0.408 47.577 1.00 25.61 H new ATOM 0 H42 DC B 11 -8.737 -0.200 47.579 1.00 25.61 H new ATOM 0 H5 DC B 11 -11.306 0.896 45.539 1.00 18.80 H new ATOM 0 H6 DC B 11 -11.240 0.803 43.263 1.00 21.86 H new TER 227 DC B 11 ATOM 228 O5' DT C 51 -5.233 -6.220 54.679 1.00 57.99 O ATOM 229 C5' DT C 51 -4.875 -7.603 54.587 1.00 54.71 C ATOM 230 C4' DT C 51 -4.145 -7.899 53.297 1.00 53.96 C ATOM 231 O4' DT C 51 -5.045 -7.701 52.179 1.00 49.78 O ATOM 232 C3' DT C 51 -2.949 -6.983 53.046 1.00 55.17 C ATOM 233 O3' DT C 51 -1.871 -7.711 52.455 1.00 58.62 O ATOM 234 C2' DT C 51 -3.492 -5.937 52.089 1.00 50.96 C ATOM 235 C1' DT C 51 -4.551 -6.695 51.307 1.00 43.87 C ATOM 236 N1 DT C 51 -5.689 -5.843 50.914 1.00 38.42 N ATOM 237 C2 DT C 51 -6.143 -5.901 49.615 1.00 33.97 C ATOM 238 O2 DT C 51 -5.654 -6.628 48.766 1.00 33.58 O ATOM 239 N3 DT C 51 -7.195 -5.065 49.344 1.00 30.84 N ATOM 240 C4 DT C 51 -7.820 -4.193 50.213 1.00 32.37 C ATOM 241 O4 DT C 51 -8.749 -3.493 49.816 1.00 34.83 O ATOM 242 C5 DT C 51 -7.298 -4.189 51.558 1.00 32.53 C ATOM 243 C7 DT C 51 -7.917 -3.281 52.573 1.00 31.61 C ATOM 244 C6 DT C 51 -6.275 -5.004 51.838 1.00 34.42 C ATOM 0 H5' DT C 51 -5.674 -8.150 54.641 1.00 54.71 H new ATOM 0 H5'' DT C 51 -4.314 -7.845 55.341 1.00 54.71 H new ATOM 0 H4' DT C 51 -3.830 -8.813 53.378 1.00 53.96 H new ATOM 0 H3' DT C 51 -2.592 -6.594 53.860 1.00 55.17 H new ATOM 0 H2' DT C 51 -3.870 -5.180 52.563 1.00 50.96 H new ATOM 0 H2'' DT C 51 -2.798 -5.589 51.507 1.00 50.96 H new ATOM 0 HO5' DT C 51 -5.638 -6.083 55.402 1.00 57.99 H new ATOM 0 H1' DT C 51 -4.153 -7.042 50.494 1.00 43.87 H new ATOM 0 H3 DT C 51 -7.501 -5.086 48.540 1.00 30.84 H new ATOM 0 H71 DT C 51 -8.265 -2.491 52.131 1.00 31.61 H new ATOM 0 H72 DT C 51 -8.640 -3.744 53.024 1.00 31.61 H new ATOM 0 H73 DT C 51 -7.247 -3.018 53.224 1.00 31.61 H new ATOM 0 H6 DT C 51 -5.940 -5.005 52.706 1.00 34.42 H new ATOM 245 P DG C 52 -0.494 -6.956 52.116 1.00 60.96 P ATOM 246 OP1 DG C 52 0.608 -7.952 52.185 1.00 59.08 O ATOM 247 OP2 DG C 52 -0.425 -5.720 52.941 1.00 58.92 O ATOM 248 O5' DG C 52 -0.682 -6.522 50.598 1.00 56.50 O ATOM 249 C5' DG C 52 -0.894 -7.515 49.584 1.00 48.66 C ATOM 250 C4' DG C 52 -0.830 -6.884 48.215 1.00 41.78 C ATOM 251 O4' DG C 52 -2.041 -6.139 47.946 1.00 38.95 O ATOM 252 C3' DG C 52 0.326 -5.905 48.028 1.00 40.36 C ATOM 253 O3' DG C 52 0.902 -6.105 46.739 1.00 41.73 O ATOM 254 C2' DG C 52 -0.336 -4.542 48.143 1.00 36.41 C ATOM 255 C1' DG C 52 -1.724 -4.802 47.584 1.00 34.08 C ATOM 256 N9 DG C 52 -2.779 -3.938 48.109 1.00 29.43 N ATOM 257 C8 DG C 52 -3.028 -3.634 49.426 1.00 24.94 C ATOM 258 N7 DG C 52 -4.062 -2.851 49.586 1.00 20.90 N ATOM 259 C5 DG C 52 -4.522 -2.622 48.295 1.00 23.74 C ATOM 260 C6 DG C 52 -5.624 -1.851 47.832 1.00 23.83 C ATOM 261 O6 DG C 52 -6.446 -1.203 48.493 1.00 24.48 O ATOM 262 N1 DG C 52 -5.723 -1.882 46.444 1.00 23.08 N ATOM 263 C2 DG C 52 -4.876 -2.568 45.608 1.00 23.90 C ATOM 264 N2 DG C 52 -5.128 -2.465 44.297 1.00 25.72 N ATOM 265 N3 DG C 52 -3.854 -3.299 46.026 1.00 26.36 N ATOM 266 C4 DG C 52 -3.736 -3.280 47.371 1.00 26.49 C ATOM 0 H5' DG C 52 -1.757 -7.939 49.712 1.00 48.66 H new ATOM 0 H5'' DG C 52 -0.223 -8.211 49.658 1.00 48.66 H new ATOM 0 H4' DG C 52 -0.707 -7.631 47.609 1.00 41.78 H new ATOM 0 H3' DG C 52 1.045 -6.010 48.671 1.00 40.36 H new ATOM 0 H2' DG C 52 -0.369 -4.233 49.062 1.00 36.41 H new ATOM 0 H2'' DG C 52 0.138 -3.866 47.633 1.00 36.41 H new ATOM 0 H1' DG C 52 -1.694 -4.629 46.630 1.00 34.08 H new ATOM 0 H8 DG C 52 -2.513 -3.953 50.132 1.00 24.94 H new ATOM 0 H1 DG C 52 -6.364 -1.437 46.082 1.00 23.08 H new ATOM 0 H21 DG C 52 -4.628 -2.875 43.730 1.00 25.72 H new ATOM 0 H22 DG C 52 -5.790 -1.989 44.022 1.00 25.72 H new ATOM 267 P DT C 53 2.080 -5.144 46.232 1.00 43.01 P ATOM 268 OP1 DT C 53 2.982 -5.950 45.368 1.00 42.87 O ATOM 269 OP2 DT C 53 2.636 -4.421 47.407 1.00 40.87 O ATOM 270 O5' DT C 53 1.305 -4.108 45.310 1.00 41.42 O ATOM 271 C5' DT C 53 0.510 -4.582 44.213 1.00 37.25 C ATOM 272 C4' DT C 53 0.082 -3.426 43.342 1.00 35.14 C ATOM 273 O4' DT C 53 -1.042 -2.733 43.933 1.00 35.46 O ATOM 274 C3' DT C 53 1.169 -2.377 43.121 1.00 31.90 C ATOM 275 O3' DT C 53 1.192 -1.999 41.745 1.00 33.70 O ATOM 276 C2' DT C 53 0.733 -1.220 44.006 1.00 27.25 C ATOM 277 C1' DT C 53 -0.778 -1.343 43.958 1.00 26.91 C ATOM 278 N1 DT C 53 -1.505 -0.766 45.101 1.00 22.43 N ATOM 279 C2 DT C 53 -2.654 -0.062 44.834 1.00 21.33 C ATOM 280 O2 DT C 53 -3.087 0.098 43.704 1.00 25.24 O ATOM 281 N3 DT C 53 -3.283 0.451 45.939 1.00 18.33 N ATOM 282 C4 DT C 53 -2.886 0.329 47.255 1.00 21.61 C ATOM 283 O4 DT C 53 -3.558 0.846 48.148 1.00 22.21 O ATOM 284 C5 DT C 53 -1.672 -0.426 47.465 1.00 19.25 C ATOM 285 C7 DT C 53 -1.167 -0.612 48.860 1.00 17.98 C ATOM 286 C6 DT C 53 -1.050 -0.927 46.391 1.00 19.88 C ATOM 0 H5' DT C 53 -0.271 -5.049 44.549 1.00 37.25 H new ATOM 0 H5'' DT C 53 1.018 -5.220 43.688 1.00 37.25 H new ATOM 0 H4' DT C 53 -0.140 -3.832 42.489 1.00 35.14 H new ATOM 0 H3' DT C 53 2.063 -2.685 43.337 1.00 31.90 H new ATOM 0 H2' DT C 53 1.076 -1.304 44.909 1.00 27.25 H new ATOM 0 H2'' DT C 53 1.039 -0.365 43.664 1.00 27.25 H new ATOM 0 H1' DT C 53 -1.087 -0.845 43.185 1.00 26.91 H new ATOM 0 H3 DT C 53 -4.004 0.898 45.796 1.00 18.33 H new ATOM 0 H71 DT C 53 -0.691 -1.455 48.922 1.00 17.98 H new ATOM 0 H72 DT C 53 -0.567 0.116 49.087 1.00 17.98 H new ATOM 0 H73 DT C 53 -1.915 -0.618 49.477 1.00 17.98 H new ATOM 0 H6 DT C 53 -0.267 -1.411 46.523 1.00 19.88 H new ATOM 287 P DG C 54 2.288 -0.948 41.229 1.00 36.30 P ATOM 288 OP1 DG C 54 2.615 -1.269 39.814 1.00 37.00 O ATOM 289 OP2 DG C 54 3.376 -0.878 42.241 1.00 36.80 O ATOM 290 O5' DG C 54 1.490 0.423 41.258 1.00 33.13 O ATOM 291 C5' DG C 54 0.222 0.530 40.596 1.00 31.84 C ATOM 292 C4' DG C 54 -0.340 1.915 40.789 1.00 31.19 C ATOM 293 O4' DG C 54 -1.007 2.035 42.071 1.00 29.04 O ATOM 294 C3' DG C 54 0.718 3.021 40.749 1.00 29.59 C ATOM 295 O3' DG C 54 0.205 4.126 40.022 1.00 33.47 O ATOM 296 C2' DG C 54 0.853 3.421 42.206 1.00 26.42 C ATOM 297 C1' DG C 54 -0.580 3.243 42.671 1.00 23.34 C ATOM 298 N9 DG C 54 -0.773 3.142 44.111 1.00 18.75 N ATOM 299 C8 DG C 54 0.060 2.552 45.029 1.00 20.07 C ATOM 300 N7 DG C 54 -0.359 2.685 46.257 1.00 19.90 N ATOM 301 C5 DG C 54 -1.550 3.392 46.142 1.00 19.07 C ATOM 302 C6 DG C 54 -2.454 3.851 47.142 1.00 16.16 C ATOM 303 O6 DG C 54 -2.376 3.731 48.370 1.00 16.10 O ATOM 304 N1 DG C 54 -3.534 4.521 46.585 1.00 16.89 N ATOM 305 C2 DG C 54 -3.726 4.730 45.241 1.00 17.91 C ATOM 306 N2 DG C 54 -4.840 5.396 44.906 1.00 14.47 N ATOM 307 N3 DG C 54 -2.890 4.318 44.301 1.00 20.18 N ATOM 308 C4 DG C 54 -1.829 3.663 44.821 1.00 18.47 C ATOM 0 H5' DG C 54 -0.394 -0.130 40.950 1.00 31.84 H new ATOM 0 H5'' DG C 54 0.325 0.343 39.650 1.00 31.84 H new ATOM 0 H4' DG C 54 -0.954 2.031 40.047 1.00 31.19 H new ATOM 0 H3' DG C 54 1.552 2.744 40.339 1.00 29.59 H new ATOM 0 H2' DG C 54 1.472 2.852 42.690 1.00 26.42 H new ATOM 0 H2'' DG C 54 1.165 4.333 42.311 1.00 26.42 H new ATOM 0 H1' DG C 54 -1.081 4.034 42.418 1.00 23.34 H new ATOM 0 H8 DG C 54 0.842 2.104 44.799 1.00 20.07 H new ATOM 0 H1 DG C 54 -4.130 4.829 47.123 1.00 16.89 H new ATOM 0 H21 DG C 54 -5.013 5.556 44.079 1.00 14.47 H new ATOM 0 H22 DG C 54 -5.382 5.663 45.518 1.00 14.47 H new ATOM 309 P DC C 55 0.990 4.664 38.740 1.00 32.61 P ATOM 310 OP1 DC C 55 0.574 3.867 37.549 1.00 36.55 O ATOM 311 OP2 DC C 55 2.426 4.767 39.091 1.00 34.00 O ATOM 312 O5' DC C 55 0.417 6.134 38.603 1.00 32.41 O ATOM 313 C5' DC C 55 0.331 6.960 39.764 1.00 34.61 C ATOM 314 C4' DC C 55 -1.006 7.657 39.817 1.00 35.75 C ATOM 315 O4' DC C 55 -1.795 7.073 40.888 1.00 33.78 O ATOM 316 C3' DC C 55 -0.838 9.133 40.144 1.00 38.76 C ATOM 317 O3' DC C 55 -1.529 9.980 39.244 1.00 40.80 O ATOM 318 C2' DC C 55 -1.349 9.289 41.561 1.00 39.59 C ATOM 319 C1' DC C 55 -2.178 8.053 41.844 1.00 31.54 C ATOM 320 N1 DC C 55 -1.810 7.559 43.179 1.00 28.01 N ATOM 321 C2 DC C 55 -2.636 7.860 44.266 1.00 26.41 C ATOM 322 O2 DC C 55 -3.705 8.456 44.061 1.00 28.37 O ATOM 323 N3 DC C 55 -2.248 7.498 45.508 1.00 23.22 N ATOM 324 C4 DC C 55 -1.092 6.857 45.689 1.00 21.04 C ATOM 325 N4 DC C 55 -0.726 6.569 46.939 1.00 20.80 N ATOM 326 C5 DC C 55 -0.253 6.496 44.595 1.00 20.10 C ATOM 327 C6 DC C 55 -0.652 6.858 43.369 1.00 26.06 C ATOM 0 H5' DC C 55 1.044 7.617 39.754 1.00 34.61 H new ATOM 0 H5'' DC C 55 0.453 6.421 40.561 1.00 34.61 H new ATOM 0 H4' DC C 55 -1.434 7.557 38.952 1.00 35.75 H new ATOM 0 H3' DC C 55 0.091 9.400 40.060 1.00 38.76 H new ATOM 0 H2' DC C 55 -0.614 9.365 42.189 1.00 39.59 H new ATOM 0 H2'' DC C 55 -1.883 10.094 41.651 1.00 39.59 H new ATOM 0 H1' DC C 55 -3.129 8.240 41.801 1.00 31.54 H new ATOM 0 H41 DC C 55 0.014 6.156 47.086 1.00 20.80 H new ATOM 0 H42 DC C 55 -1.230 6.796 47.598 1.00 20.80 H new ATOM 0 H5 DC C 55 0.540 6.028 44.727 1.00 20.10 H new ATOM 0 H6 DC C 55 -0.132 6.628 42.633 1.00 26.06 H new ATOM 328 P DC C 56 -1.106 11.521 39.179 1.00 44.96 P ATOM 329 OP1 DC C 56 -1.359 12.043 37.805 1.00 50.60 O ATOM 330 OP2 DC C 56 0.257 11.619 39.756 1.00 40.53 O ATOM 331 O5' DC C 56 -2.122 12.205 40.194 1.00 39.67 O ATOM 332 C5' DC C 56 -3.521 11.893 40.141 1.00 37.58 C ATOM 333 C4' DC C 56 -4.238 12.525 41.308 1.00 36.70 C ATOM 334 O4' DC C 56 -3.938 11.810 42.531 1.00 34.48 O ATOM 335 C3' DC C 56 -3.847 13.979 41.557 1.00 33.06 C ATOM 336 O3' DC C 56 -5.008 14.739 41.892 1.00 33.48 O ATOM 337 C2' DC C 56 -2.875 13.892 42.722 1.00 32.41 C ATOM 338 C1' DC C 56 -3.392 12.693 43.499 1.00 31.88 C ATOM 339 N1 DC C 56 -2.362 11.951 44.244 1.00 28.14 N ATOM 340 C2 DC C 56 -2.509 11.791 45.624 1.00 25.43 C ATOM 341 O2 DC C 56 -3.486 12.311 46.188 1.00 25.30 O ATOM 342 N3 DC C 56 -1.587 11.077 46.309 1.00 24.09 N ATOM 343 C4 DC C 56 -0.547 10.543 45.667 1.00 23.83 C ATOM 344 N4 DC C 56 0.333 9.836 46.380 1.00 24.11 N ATOM 345 C5 DC C 56 -0.361 10.706 44.263 1.00 23.16 C ATOM 346 C6 DC C 56 -1.283 11.412 43.599 1.00 26.08 C ATOM 0 H5' DC C 56 -3.646 10.931 40.158 1.00 37.58 H new ATOM 0 H5'' DC C 56 -3.900 12.214 39.308 1.00 37.58 H new ATOM 0 H4' DC C 56 -5.178 12.485 41.074 1.00 36.70 H new ATOM 0 H3' DC C 56 -3.452 14.418 40.787 1.00 33.06 H new ATOM 0 H2' DC C 56 -1.962 13.760 42.421 1.00 32.41 H new ATOM 0 H2'' DC C 56 -2.883 14.700 43.259 1.00 32.41 H new ATOM 0 H1' DC C 56 -4.023 13.017 44.161 1.00 31.88 H new ATOM 0 H41 DC C 56 1.013 9.480 45.993 1.00 24.11 H new ATOM 0 H42 DC C 56 0.219 9.737 47.227 1.00 24.11 H new ATOM 0 H5 DC C 56 0.372 10.336 43.826 1.00 23.16 H new ATOM 0 H6 DC C 56 -1.189 11.539 42.682 1.00 26.08 H new ATOM 347 P DC C 57 -4.879 16.320 42.112 1.00 35.40 P ATOM 348 OP1 DC C 57 -6.228 16.920 41.998 1.00 37.34 O ATOM 349 OP2 DC C 57 -3.776 16.812 41.245 1.00 36.57 O ATOM 350 O5' DC C 57 -4.424 16.417 43.630 1.00 38.28 O ATOM 351 C5' DC C 57 -5.265 15.885 44.661 1.00 37.24 C ATOM 352 C4' DC C 57 -4.753 16.301 46.015 1.00 37.38 C ATOM 353 O4' DC C 57 -3.742 15.377 46.485 1.00 38.60 O ATOM 354 C3' DC C 57 -4.117 17.691 46.039 1.00 38.64 C ATOM 355 O3' DC C 57 -4.639 18.446 47.130 1.00 39.98 O ATOM 356 C2' DC C 57 -2.633 17.406 46.218 1.00 35.28 C ATOM 357 C1' DC C 57 -2.648 16.109 47.005 1.00 32.38 C ATOM 358 N1 DC C 57 -1.443 15.270 46.892 1.00 25.95 N ATOM 359 C2 DC C 57 -0.933 14.665 48.048 1.00 20.88 C ATOM 360 O2 DC C 57 -1.519 14.842 49.127 1.00 22.02 O ATOM 361 N3 DC C 57 0.182 13.908 47.964 1.00 17.93 N ATOM 362 C4 DC C 57 0.786 13.742 46.786 1.00 17.52 C ATOM 363 N4 DC C 57 1.895 12.998 46.755 1.00 16.09 N ATOM 364 C5 DC C 57 0.285 14.333 45.590 1.00 17.21 C ATOM 365 C6 DC C 57 -0.822 15.081 45.688 1.00 23.10 C ATOM 0 H5' DC C 57 -5.290 14.917 44.600 1.00 37.24 H new ATOM 0 H5'' DC C 57 -6.174 16.200 44.541 1.00 37.24 H new ATOM 0 H4' DC C 57 -5.540 16.306 46.583 1.00 37.38 H new ATOM 0 H3' DC C 57 -4.295 18.213 45.241 1.00 38.64 H new ATOM 0 H2' DC C 57 -2.178 17.308 45.367 1.00 35.28 H new ATOM 0 H2'' DC C 57 -2.183 18.117 46.700 1.00 35.28 H new ATOM 0 H1' DC C 57 -2.702 16.336 47.947 1.00 32.38 H new ATOM 0 H41 DC C 57 2.308 12.872 46.011 1.00 16.09 H new ATOM 0 H42 DC C 57 2.196 12.645 47.479 1.00 16.09 H new ATOM 0 H5 DC C 57 0.710 14.204 44.773 1.00 17.21 H new ATOM 0 H6 DC C 57 -1.174 15.478 44.925 1.00 23.10 H new ATOM 366 P DA C 58 -4.173 19.968 47.338 1.00 44.07 P ATOM 367 OP1 DA C 58 -5.342 20.758 47.800 1.00 41.83 O ATOM 368 OP2 DA C 58 -3.412 20.410 46.139 1.00 41.99 O ATOM 369 O5' DA C 58 -3.154 19.834 48.546 1.00 43.62 O ATOM 370 C5' DA C 58 -3.521 19.092 49.714 1.00 41.68 C ATOM 371 C4' DA C 58 -2.426 19.182 50.744 1.00 40.62 C ATOM 372 O4' DA C 58 -1.416 18.174 50.499 1.00 38.32 O ATOM 373 C3' DA C 58 -1.711 20.530 50.737 1.00 40.71 C ATOM 374 O3' DA C 58 -1.569 21.008 52.069 1.00 46.11 O ATOM 375 C2' DA C 58 -0.364 20.221 50.106 1.00 37.83 C ATOM 376 C1' DA C 58 -0.134 18.772 50.494 1.00 32.18 C ATOM 377 N9 DA C 58 0.709 18.030 49.557 1.00 26.39 N ATOM 378 C8 DA C 58 0.791 18.184 48.194 1.00 21.98 C ATOM 379 N7 DA C 58 1.670 17.397 47.625 1.00 21.62 N ATOM 380 C5 DA C 58 2.200 16.667 48.679 1.00 20.02 C ATOM 381 C6 DA C 58 3.185 15.666 48.739 1.00 18.92 C ATOM 382 N6 DA C 58 3.848 15.214 47.669 1.00 17.32 N ATOM 383 N1 DA C 58 3.474 15.139 49.949 1.00 16.94 N ATOM 384 C2 DA C 58 2.813 15.595 51.019 1.00 13.13 C ATOM 385 N3 DA C 58 1.872 16.531 51.093 1.00 21.94 N ATOM 386 C4 DA C 58 1.608 17.036 49.874 1.00 23.90 C ATOM 0 H5' DA C 58 -3.681 18.164 49.480 1.00 41.68 H new ATOM 0 H5'' DA C 58 -4.350 19.439 50.080 1.00 41.68 H new ATOM 0 H4' DA C 58 -2.864 19.055 51.600 1.00 40.62 H new ATOM 0 H3' DA C 58 -2.188 21.222 50.253 1.00 40.71 H new ATOM 0 H2' DA C 58 -0.383 20.337 49.143 1.00 37.83 H new ATOM 0 H2'' DA C 58 0.335 20.800 50.448 1.00 37.83 H new ATOM 0 H1' DA C 58 0.326 18.748 51.348 1.00 32.18 H new ATOM 0 H8 DA C 58 0.270 18.791 47.719 1.00 21.98 H new ATOM 0 H61 DA C 58 4.442 14.599 47.760 1.00 17.32 H new ATOM 0 H62 DA C 58 3.680 15.538 46.890 1.00 17.32 H new ATOM 0 H2 DA C 58 3.045 15.200 51.828 1.00 13.13 H new ATOM 387 P DC C 59 -0.729 22.345 52.353 1.00 50.02 P ATOM 388 OP1 DC C 59 -1.593 23.283 53.114 1.00 48.03 O ATOM 389 OP2 DC C 59 -0.081 22.795 51.094 1.00 47.09 O ATOM 390 O5' DC C 59 0.402 21.808 53.326 1.00 48.70 O ATOM 391 C5' DC C 59 0.112 20.733 54.232 1.00 43.67 C ATOM 392 C4' DC C 59 1.391 20.220 54.840 1.00 39.22 C ATOM 393 O4' DC C 59 2.093 19.367 53.902 1.00 35.90 O ATOM 394 C3' DC C 59 2.352 21.348 55.201 1.00 38.96 C ATOM 395 O3' DC C 59 2.906 21.109 56.488 1.00 42.27 O ATOM 396 C2' DC C 59 3.409 21.286 54.110 1.00 36.14 C ATOM 397 C1' DC C 59 3.434 19.808 53.771 1.00 34.02 C ATOM 398 N1 DC C 59 3.895 19.472 52.409 1.00 30.40 N ATOM 399 C2 DC C 59 4.853 18.466 52.257 1.00 26.10 C ATOM 400 O2 DC C 59 5.285 17.891 53.268 1.00 28.57 O ATOM 401 N3 DC C 59 5.289 18.145 51.018 1.00 24.47 N ATOM 402 C4 DC C 59 4.805 18.786 49.954 1.00 22.72 C ATOM 403 N4 DC C 59 5.267 18.433 48.749 1.00 17.47 N ATOM 404 C5 DC C 59 3.824 19.817 50.077 1.00 20.13 C ATOM 405 C6 DC C 59 3.402 20.126 51.313 1.00 24.04 C ATOM 0 H5' DC C 59 -0.343 20.017 53.762 1.00 43.67 H new ATOM 0 H5'' DC C 59 -0.488 21.040 54.930 1.00 43.67 H new ATOM 0 H4' DC C 59 1.130 19.737 55.640 1.00 39.22 H new ATOM 0 H3' DC C 59 1.933 22.222 55.246 1.00 38.96 H new ATOM 0 H2' DC C 59 3.170 21.830 53.343 1.00 36.14 H new ATOM 0 H2'' DC C 59 4.272 21.601 54.423 1.00 36.14 H new ATOM 0 H1' DC C 59 4.071 19.381 54.365 1.00 34.02 H new ATOM 0 H41 DC C 59 4.974 18.828 48.044 1.00 17.47 H new ATOM 0 H42 DC C 59 5.857 17.811 48.680 1.00 17.47 H new ATOM 0 H5 DC C 59 3.490 20.257 49.329 1.00 20.13 H new ATOM 0 H6 DC C 59 2.765 20.794 51.426 1.00 24.04 H new ATOM 406 P DG C 60 3.838 22.228 57.159 1.00 44.77 P ATOM 407 OP1 DG C 60 3.505 22.286 58.608 1.00 44.62 O ATOM 408 OP2 DG C 60 3.755 23.459 56.332 1.00 43.70 O ATOM 409 O5' DG C 60 5.289 21.609 56.982 1.00 40.00 O ATOM 410 C5' DG C 60 5.536 20.241 57.342 1.00 36.95 C ATOM 411 C4' DG C 60 6.979 19.894 57.080 1.00 35.71 C ATOM 412 O4' DG C 60 7.167 19.469 55.708 1.00 32.55 O ATOM 413 C3' DG C 60 7.932 21.067 57.309 1.00 36.50 C ATOM 414 O3' DG C 60 9.052 20.643 58.080 1.00 42.54 O ATOM 415 C2' DG C 60 8.347 21.476 55.906 1.00 32.69 C ATOM 416 C1' DG C 60 8.251 20.174 55.127 1.00 27.95 C ATOM 417 N9 DG C 60 7.962 20.344 53.706 1.00 23.83 N ATOM 418 C8 DG C 60 7.028 21.184 53.151 1.00 23.01 C ATOM 419 N7 DG C 60 7.000 21.130 51.848 1.00 21.13 N ATOM 420 C5 DG C 60 7.973 20.197 51.518 1.00 20.29 C ATOM 421 C6 DG C 60 8.402 19.726 50.246 1.00 20.17 C ATOM 422 O6 DG C 60 7.993 20.051 49.125 1.00 23.55 O ATOM 423 N1 DG C 60 9.416 18.781 50.366 1.00 15.67 N ATOM 424 C2 DG C 60 9.950 18.347 51.553 1.00 18.36 C ATOM 425 N2 DG C 60 10.925 17.431 51.459 1.00 20.95 N ATOM 426 N3 DG C 60 9.560 18.775 52.744 1.00 19.08 N ATOM 427 C4 DG C 60 8.576 19.697 52.652 1.00 21.20 C ATOM 0 H5' DG C 60 4.956 19.654 56.832 1.00 36.95 H new ATOM 0 H5'' DG C 60 5.327 20.102 58.279 1.00 36.95 H new ATOM 0 H4' DG C 60 7.185 19.184 57.708 1.00 35.71 H new ATOM 0 H3' DG C 60 7.530 21.801 57.800 1.00 36.50 H new ATOM 0 H2' DG C 60 7.759 22.156 55.542 1.00 32.69 H new ATOM 0 H2'' DG C 60 9.246 21.839 55.889 1.00 32.69 H new ATOM 0 H1' DG C 60 9.107 19.721 55.176 1.00 27.95 H new ATOM 0 H8 DG C 60 6.472 21.735 53.653 1.00 23.01 H new ATOM 0 H1 DG C 60 9.732 18.443 49.641 1.00 15.67 H new ATOM 0 H21 DG C 60 11.296 17.123 52.171 1.00 20.95 H new ATOM 0 H22 DG C 60 11.179 17.151 50.686 1.00 20.95 H new ATOM 428 P DC C 61 10.001 21.739 58.763 1.00 47.73 P ATOM 429 OP1 DC C 61 10.162 21.379 60.198 1.00 44.62 O ATOM 430 OP2 DC C 61 9.500 23.092 58.396 1.00 42.65 O ATOM 431 O5' DC C 61 11.389 21.493 58.024 1.00 46.31 O ATOM 432 C5' DC C 61 11.957 20.173 57.972 1.00 41.42 C ATOM 433 C4' DC C 61 13.064 20.117 56.947 1.00 36.24 C ATOM 434 O4' DC C 61 12.523 20.027 55.605 1.00 35.29 O ATOM 435 C3' DC C 61 13.986 21.337 56.960 1.00 34.59 C ATOM 436 O3' DC C 61 15.335 20.921 56.766 1.00 38.80 O ATOM 437 C2' DC C 61 13.545 22.115 55.732 1.00 35.48 C ATOM 438 C1' DC C 61 13.179 20.981 54.793 1.00 33.92 C ATOM 439 N1 DC C 61 12.293 21.333 53.666 1.00 31.56 N ATOM 440 C2 DC C 61 12.495 20.700 52.429 1.00 30.29 C ATOM 441 O2 DC C 61 13.351 19.805 52.342 1.00 29.11 O ATOM 442 N3 DC C 61 11.749 21.074 51.363 1.00 26.47 N ATOM 443 C4 DC C 61 10.824 22.025 51.499 1.00 25.61 C ATOM 444 N4 DC C 61 10.141 22.391 50.410 1.00 23.03 N ATOM 445 C5 DC C 61 10.564 22.651 52.756 1.00 26.60 C ATOM 446 C6 DC C 61 11.314 22.278 53.803 1.00 29.41 C ATOM 0 H5' DC C 61 11.269 19.527 57.749 1.00 41.42 H new ATOM 0 H5'' DC C 61 12.303 19.929 58.845 1.00 41.42 H new ATOM 0 H4' DC C 61 13.577 19.330 57.190 1.00 36.24 H new ATOM 0 H3' DC C 61 13.939 21.839 57.789 1.00 34.59 H new ATOM 0 H2' DC C 61 12.791 22.697 55.917 1.00 35.48 H new ATOM 0 H2'' DC C 61 14.254 22.673 55.376 1.00 35.48 H new ATOM 0 HO3' DC C 61 15.839 21.593 56.772 1.00 38.80 H new ATOM 0 H1' DC C 61 13.994 20.673 54.367 1.00 33.92 H new ATOM 0 H41 DC C 61 9.538 23.002 50.466 1.00 23.03 H new ATOM 0 H42 DC C 61 10.305 22.016 49.654 1.00 23.03 H new ATOM 0 H5 DC C 61 9.898 23.294 52.845 1.00 26.60 H new ATOM 0 H6 DC C 61 11.166 22.668 54.634 1.00 29.41 H new TER 447 DC C 61 ATOM 448 N ARG A 103 -15.554 8.612 61.419 1.00 74.02 N ATOM 449 CA ARG A 103 -14.167 8.378 61.816 1.00 74.05 C ATOM 450 C ARG A 103 -14.119 7.445 63.029 1.00 73.02 C ATOM 451 O ARG A 103 -13.925 7.891 64.163 1.00 73.19 O ATOM 452 CB ARG A 103 -13.484 9.707 62.141 1.00 74.76 C ATOM 453 CG ARG A 103 -13.392 10.672 60.978 1.00 74.88 C ATOM 454 CD ARG A 103 -12.011 10.651 60.373 1.00 74.15 C ATOM 455 NE ARG A 103 -11.818 11.781 59.475 1.00 76.57 N ATOM 456 CZ ARG A 103 -10.680 12.043 58.842 1.00 79.12 C ATOM 457 NH1 ARG A 103 -9.627 11.254 59.008 1.00 79.58 N ATOM 458 NH2 ARG A 103 -10.595 13.094 58.032 1.00 82.90 N ATOM 0 HA ARG A 103 -13.695 7.957 61.081 1.00 74.05 H new ATOM 0 HB2 ARG A 103 -13.967 10.136 62.864 1.00 74.76 H new ATOM 0 HB3 ARG A 103 -12.588 9.525 62.466 1.00 74.76 H new ATOM 0 HG2 ARG A 103 -14.049 10.436 60.304 1.00 74.88 H new ATOM 0 HG3 ARG A 103 -13.604 11.569 61.279 1.00 74.88 H new ATOM 0 HD2 ARG A 103 -11.345 10.676 61.078 1.00 74.15 H new ATOM 0 HD3 ARG A 103 -11.879 9.822 59.888 1.00 74.15 H new ATOM 0 HE ARG A 103 -12.482 12.312 59.346 1.00 76.57 H new ATOM 0 HH11 ARG A 103 -9.680 10.570 59.527 1.00 79.58 H new ATOM 0 HH12 ARG A 103 -8.892 11.426 58.597 1.00 79.58 H new ATOM 0 HH21 ARG A 103 -11.277 13.605 57.918 1.00 82.90 H new ATOM 0 HH22 ARG A 103 -9.858 13.263 57.623 1.00 82.90 H new ATOM 459 N PRO A 104 -14.316 6.133 62.802 1.00 71.37 N ATOM 460 CA PRO A 104 -14.311 5.093 63.841 1.00 69.71 C ATOM 461 C PRO A 104 -12.958 4.507 64.273 1.00 67.79 C ATOM 462 O PRO A 104 -12.788 4.123 65.436 1.00 67.25 O ATOM 463 CB PRO A 104 -15.201 4.016 63.226 1.00 69.93 C ATOM 464 CG PRO A 104 -14.833 4.096 61.777 1.00 69.25 C ATOM 465 CD PRO A 104 -14.783 5.584 61.512 1.00 68.97 C ATOM 0 HA PRO A 104 -14.609 5.477 64.680 1.00 69.71 H new ATOM 0 HB2 PRO A 104 -15.020 3.139 63.599 1.00 69.93 H new ATOM 0 HB3 PRO A 104 -16.143 4.197 63.372 1.00 69.93 H new ATOM 0 HG2 PRO A 104 -13.978 3.672 61.601 1.00 69.25 H new ATOM 0 HG3 PRO A 104 -15.490 3.654 61.216 1.00 69.25 H new ATOM 0 HD2 PRO A 104 -14.175 5.800 60.788 1.00 68.97 H new ATOM 0 HD3 PRO A 104 -15.653 5.935 61.266 1.00 68.97 H new ATOM 466 N TYR A 105 -12.004 4.435 63.348 1.00 64.76 N ATOM 467 CA TYR A 105 -10.698 3.852 63.651 1.00 61.67 C ATOM 468 C TYR A 105 -9.620 4.816 64.163 1.00 58.34 C ATOM 469 O TYR A 105 -8.940 5.488 63.381 1.00 56.64 O ATOM 470 CB TYR A 105 -10.172 3.074 62.439 1.00 62.36 C ATOM 471 CG TYR A 105 -11.107 2.002 61.906 1.00 62.08 C ATOM 472 CD1 TYR A 105 -11.065 0.695 62.395 1.00 61.09 C ATOM 473 CD2 TYR A 105 -11.983 2.281 60.856 1.00 62.34 C ATOM 474 CE1 TYR A 105 -11.869 -0.308 61.841 1.00 62.37 C ATOM 475 CE2 TYR A 105 -12.790 1.291 60.300 1.00 62.20 C ATOM 476 CZ TYR A 105 -12.726 -0.001 60.788 1.00 62.55 C ATOM 477 OH TYR A 105 -13.496 -0.980 60.195 1.00 61.23 O ATOM 0 H TYR A 105 -12.092 4.717 62.540 1.00 64.76 H new ATOM 0 HA TYR A 105 -10.871 3.264 64.403 1.00 61.67 H new ATOM 0 HB2 TYR A 105 -9.984 3.703 61.725 1.00 62.36 H new ATOM 0 HB3 TYR A 105 -9.330 2.658 62.680 1.00 62.36 H new ATOM 0 HD1 TYR A 105 -10.494 0.488 63.099 1.00 61.09 H new ATOM 0 HD2 TYR A 105 -12.029 3.147 60.520 1.00 62.34 H new ATOM 0 HE1 TYR A 105 -11.831 -1.175 62.175 1.00 62.37 H new ATOM 0 HE2 TYR A 105 -13.370 1.498 59.603 1.00 62.20 H new ATOM 0 HH TYR A 105 -13.957 -0.640 59.581 1.00 61.23 H new ATOM 478 N ALA A 106 -9.434 4.827 65.481 1.00 54.12 N ATOM 479 CA ALA A 106 -8.441 5.683 66.122 1.00 51.21 C ATOM 480 C ALA A 106 -7.106 4.964 66.296 1.00 48.38 C ATOM 481 O ALA A 106 -7.069 3.745 66.440 1.00 48.74 O ATOM 482 CB ALA A 106 -8.953 6.148 67.475 1.00 49.34 C ATOM 0 H ALA A 106 -9.881 4.337 66.029 1.00 54.12 H new ATOM 0 HA ALA A 106 -8.295 6.450 65.546 1.00 51.21 H new ATOM 0 HB1 ALA A 106 -8.288 6.716 67.895 1.00 49.34 H new ATOM 0 HB2 ALA A 106 -9.776 6.648 67.356 1.00 49.34 H new ATOM 0 HB3 ALA A 106 -9.122 5.377 68.039 1.00 49.34 H new ATOM 483 N CYS A 107 -6.015 5.727 66.287 1.00 45.84 N ATOM 484 CA CYS A 107 -4.686 5.161 66.469 1.00 43.90 C ATOM 485 C CYS A 107 -4.493 4.756 67.933 1.00 46.03 C ATOM 486 O CYS A 107 -4.561 5.595 68.843 1.00 48.35 O ATOM 487 CB CYS A 107 -3.602 6.148 66.046 1.00 39.19 C ATOM 488 SG CYS A 107 -1.947 5.458 66.207 1.00 33.49 S ATOM 0 H CYS A 107 -6.026 6.580 66.176 1.00 45.84 H new ATOM 0 HA CYS A 107 -4.608 4.376 65.905 1.00 43.90 H new ATOM 0 HB2 CYS A 107 -3.751 6.413 65.125 1.00 39.19 H new ATOM 0 HB3 CYS A 107 -3.669 6.950 66.587 1.00 39.19 H new ATOM 489 N PRO A 108 -4.232 3.459 68.171 1.00 45.33 N ATOM 490 CA PRO A 108 -4.022 2.863 69.500 1.00 43.81 C ATOM 491 C PRO A 108 -2.892 3.470 70.322 1.00 42.31 C ATOM 492 O PRO A 108 -2.949 3.468 71.553 1.00 41.04 O ATOM 493 CB PRO A 108 -3.758 1.382 69.219 1.00 44.11 C ATOM 494 CG PRO A 108 -3.802 1.206 67.759 1.00 46.00 C ATOM 495 CD PRO A 108 -4.048 2.497 67.072 1.00 45.92 C ATOM 0 HA PRO A 108 -4.802 3.029 70.053 1.00 43.81 H new ATOM 0 HB2 PRO A 108 -2.895 1.115 69.571 1.00 44.11 H new ATOM 0 HB3 PRO A 108 -4.425 0.826 69.652 1.00 44.11 H new ATOM 0 HG2 PRO A 108 -2.964 0.827 67.451 1.00 46.00 H new ATOM 0 HG3 PRO A 108 -4.501 0.575 67.527 1.00 46.00 H new ATOM 0 HD2 PRO A 108 -3.301 2.745 66.505 1.00 45.92 H new ATOM 0 HD3 PRO A 108 -4.833 2.453 66.504 1.00 45.92 H new ATOM 496 N VAL A 109 -1.860 3.968 69.650 1.00 41.97 N ATOM 497 CA VAL A 109 -0.737 4.580 70.350 1.00 43.05 C ATOM 498 C VAL A 109 -1.270 5.760 71.144 1.00 45.39 C ATOM 499 O VAL A 109 -2.009 6.593 70.625 1.00 45.12 O ATOM 500 CB VAL A 109 0.378 5.017 69.383 1.00 41.08 C ATOM 501 CG1 VAL A 109 1.422 5.823 70.115 1.00 40.47 C ATOM 502 CG2 VAL A 109 1.025 3.788 68.762 1.00 36.71 C ATOM 0 H VAL A 109 -1.790 3.962 68.793 1.00 41.97 H new ATOM 0 HA VAL A 109 -0.334 3.929 70.945 1.00 43.05 H new ATOM 0 HB VAL A 109 -0.011 5.568 68.686 1.00 41.08 H new ATOM 0 HG11 VAL A 109 2.118 6.091 69.495 1.00 40.47 H new ATOM 0 HG12 VAL A 109 1.010 6.612 70.500 1.00 40.47 H new ATOM 0 HG13 VAL A 109 1.810 5.284 70.822 1.00 40.47 H new ATOM 0 HG21 VAL A 109 1.727 4.065 68.153 1.00 36.71 H new ATOM 0 HG22 VAL A 109 1.404 3.233 69.462 1.00 36.71 H new ATOM 0 HG23 VAL A 109 0.356 3.281 68.275 1.00 36.71 H new ATOM 503 N GLU A 110 -0.972 5.751 72.437 1.00 49.67 N ATOM 504 CA GLU A 110 -1.433 6.780 73.354 1.00 53.22 C ATOM 505 C GLU A 110 -1.045 8.196 72.930 1.00 53.64 C ATOM 506 O GLU A 110 -1.907 9.076 72.863 1.00 53.48 O ATOM 507 CB GLU A 110 -0.955 6.452 74.779 1.00 56.18 C ATOM 508 CG GLU A 110 -1.569 7.296 75.893 1.00 62.05 C ATOM 509 CD GLU A 110 -0.871 8.637 76.075 1.00 67.86 C ATOM 510 OE1 GLU A 110 0.381 8.688 75.960 1.00 70.08 O ATOM 511 OE2 GLU A 110 -1.579 9.638 76.335 1.00 70.30 O ATOM 0 H GLU A 110 -0.492 5.142 72.809 1.00 49.67 H new ATOM 0 HA GLU A 110 -2.403 6.774 73.334 1.00 53.22 H new ATOM 0 HB2 GLU A 110 -1.146 5.518 74.960 1.00 56.18 H new ATOM 0 HB3 GLU A 110 0.009 6.555 74.811 1.00 56.18 H new ATOM 0 HG2 GLU A 110 -2.507 7.449 75.697 1.00 62.05 H new ATOM 0 HG3 GLU A 110 -1.530 6.801 76.726 1.00 62.05 H new ATOM 512 N SER A 111 0.233 8.411 72.615 1.00 53.87 N ATOM 513 CA SER A 111 0.693 9.737 72.201 1.00 54.07 C ATOM 514 C SER A 111 0.063 10.173 70.887 1.00 53.54 C ATOM 515 O SER A 111 -0.083 11.369 70.625 1.00 53.86 O ATOM 516 CB SER A 111 2.217 9.780 72.084 1.00 54.26 C ATOM 517 OG SER A 111 2.687 8.859 71.116 1.00 58.76 O ATOM 0 H SER A 111 0.845 7.807 72.634 1.00 53.87 H new ATOM 0 HA SER A 111 0.412 10.358 72.891 1.00 54.07 H new ATOM 0 HB2 SER A 111 2.500 10.676 71.844 1.00 54.26 H new ATOM 0 HB3 SER A 111 2.615 9.578 72.945 1.00 54.26 H new ATOM 0 HG SER A 111 2.765 8.099 71.466 1.00 58.76 H new ATOM 518 N CYS A 112 -0.310 9.203 70.062 1.00 52.73 N ATOM 519 CA CYS A 112 -0.929 9.521 68.788 1.00 51.62 C ATOM 520 C CYS A 112 -2.449 9.630 68.888 1.00 52.52 C ATOM 521 O CYS A 112 -3.124 8.743 69.425 1.00 52.01 O ATOM 522 CB CYS A 112 -0.543 8.504 67.729 1.00 50.01 C ATOM 523 SG CYS A 112 -1.134 8.983 66.124 1.00 43.85 S ATOM 0 H CYS A 112 -0.214 8.363 70.220 1.00 52.73 H new ATOM 0 HA CYS A 112 -0.594 10.393 68.526 1.00 51.62 H new ATOM 0 HB2 CYS A 112 0.422 8.410 67.705 1.00 50.01 H new ATOM 0 HB3 CYS A 112 -0.907 7.636 67.964 1.00 50.01 H new ATOM 524 N ASP A 113 -2.976 10.732 68.368 1.00 53.27 N ATOM 525 CA ASP A 113 -4.407 10.984 68.400 1.00 55.72 C ATOM 526 C ASP A 113 -5.030 11.068 67.006 1.00 54.31 C ATOM 527 O ASP A 113 -6.048 11.733 66.808 1.00 53.98 O ATOM 528 CB ASP A 113 -4.694 12.255 69.209 1.00 60.87 C ATOM 529 CG ASP A 113 -4.337 12.104 70.693 1.00 66.20 C ATOM 530 OD1 ASP A 113 -4.871 11.177 71.353 1.00 68.01 O ATOM 531 OD2 ASP A 113 -3.528 12.918 71.198 1.00 68.09 O ATOM 0 H ASP A 113 -2.515 11.351 67.989 1.00 53.27 H new ATOM 0 HA ASP A 113 -4.824 10.224 68.835 1.00 55.72 H new ATOM 0 HB2 ASP A 113 -4.191 12.994 68.833 1.00 60.87 H new ATOM 0 HB3 ASP A 113 -5.634 12.481 69.127 1.00 60.87 H new ATOM 532 N ARG A 114 -4.412 10.390 66.044 1.00 52.13 N ATOM 533 CA ARG A 114 -4.916 10.365 64.675 1.00 51.74 C ATOM 534 C ARG A 114 -6.127 9.431 64.572 1.00 49.81 C ATOM 535 O ARG A 114 -6.244 8.462 65.322 1.00 47.41 O ATOM 536 CB ARG A 114 -3.824 9.896 63.695 1.00 53.16 C ATOM 537 CG ARG A 114 -2.694 10.889 63.403 1.00 54.89 C ATOM 538 CD ARG A 114 -3.163 12.086 62.595 1.00 58.46 C ATOM 539 NE ARG A 114 -3.946 13.015 63.408 1.00 67.66 N ATOM 540 CZ ARG A 114 -5.034 13.656 62.983 1.00 71.74 C ATOM 541 NH1 ARG A 114 -5.477 13.470 61.745 1.00 74.33 N ATOM 542 NH2 ARG A 114 -5.684 14.483 63.798 1.00 71.15 N ATOM 0 H ARG A 114 -3.693 9.934 66.165 1.00 52.13 H new ATOM 0 HA ARG A 114 -5.182 11.267 64.439 1.00 51.74 H new ATOM 0 HB2 ARG A 114 -3.430 9.082 64.047 1.00 53.16 H new ATOM 0 HB3 ARG A 114 -4.249 9.665 62.855 1.00 53.16 H new ATOM 0 HG2 ARG A 114 -2.314 11.197 64.241 1.00 54.89 H new ATOM 0 HG3 ARG A 114 -1.986 10.435 62.921 1.00 54.89 H new ATOM 0 HD2 ARG A 114 -2.394 12.548 62.225 1.00 58.46 H new ATOM 0 HD3 ARG A 114 -3.698 11.781 61.846 1.00 58.46 H new ATOM 0 HE ARG A 114 -3.687 13.157 64.216 1.00 67.66 H new ATOM 0 HH11 ARG A 114 -5.061 12.935 61.215 1.00 74.33 H new ATOM 0 HH12 ARG A 114 -6.179 13.885 61.473 1.00 74.33 H new ATOM 0 HH21 ARG A 114 -5.402 14.605 64.601 1.00 71.15 H new ATOM 0 HH22 ARG A 114 -6.386 14.896 63.521 1.00 71.15 H new ATOM 543 N ARG A 115 -7.029 9.745 63.646 1.00 49.64 N ATOM 544 CA ARG A 115 -8.228 8.943 63.417 1.00 49.13 C ATOM 545 C ARG A 115 -8.425 8.755 61.912 1.00 49.62 C ATOM 546 O ARG A 115 -8.117 9.651 61.120 1.00 49.21 O ATOM 547 CB ARG A 115 -9.449 9.621 64.035 1.00 49.41 C ATOM 548 CG ARG A 115 -9.281 9.971 65.507 1.00 48.32 C ATOM 549 CD ARG A 115 -10.575 10.498 66.093 1.00 48.42 C ATOM 550 NE ARG A 115 -11.592 9.452 66.142 1.00 48.13 N ATOM 551 CZ ARG A 115 -11.669 8.541 67.105 1.00 48.89 C ATOM 552 NH1 ARG A 115 -10.794 8.560 68.103 1.00 49.14 N ATOM 553 NH2 ARG A 115 -12.589 7.584 67.049 1.00 47.52 N ATOM 0 H ARG A 115 -6.963 10.431 63.131 1.00 49.64 H new ATOM 0 HA ARG A 115 -8.121 8.076 63.838 1.00 49.13 H new ATOM 0 HB2 ARG A 115 -9.643 10.432 63.539 1.00 49.41 H new ATOM 0 HB3 ARG A 115 -10.217 9.037 63.936 1.00 49.41 H new ATOM 0 HG2 ARG A 115 -8.996 9.185 65.999 1.00 48.32 H new ATOM 0 HG3 ARG A 115 -8.583 10.637 65.607 1.00 48.32 H new ATOM 0 HD2 ARG A 115 -10.414 10.839 66.987 1.00 48.42 H new ATOM 0 HD3 ARG A 115 -10.896 11.241 65.559 1.00 48.42 H new ATOM 0 HE ARG A 115 -12.175 9.424 65.511 1.00 48.13 H new ATOM 0 HH11 ARG A 115 -10.179 9.161 68.125 1.00 49.14 H new ATOM 0 HH12 ARG A 115 -10.842 7.971 68.728 1.00 49.14 H new ATOM 0 HH21 ARG A 115 -13.137 7.553 66.387 1.00 47.52 H new ATOM 0 HH22 ARG A 115 -12.636 6.996 67.674 1.00 47.52 H new ATOM 554 N PHE A 116 -8.943 7.592 61.520 1.00 50.04 N ATOM 555 CA PHE A 116 -9.144 7.278 60.107 1.00 50.56 C ATOM 556 C PHE A 116 -10.532 6.719 59.766 1.00 51.88 C ATOM 557 O PHE A 116 -11.241 6.207 60.642 1.00 52.19 O ATOM 558 CB PHE A 116 -8.057 6.299 59.641 1.00 49.08 C ATOM 559 CG PHE A 116 -6.655 6.846 59.756 1.00 47.53 C ATOM 560 CD1 PHE A 116 -5.961 6.778 60.961 1.00 45.47 C ATOM 561 CD2 PHE A 116 -6.034 7.445 58.665 1.00 46.33 C ATOM 562 CE1 PHE A 116 -4.671 7.302 61.075 1.00 44.89 C ATOM 563 CE2 PHE A 116 -4.744 7.970 58.775 1.00 47.32 C ATOM 564 CZ PHE A 116 -4.065 7.898 59.982 1.00 43.43 C ATOM 0 H PHE A 116 -9.186 6.968 62.060 1.00 50.04 H new ATOM 0 HA PHE A 116 -9.081 8.122 59.634 1.00 50.56 H new ATOM 0 HB2 PHE A 116 -8.121 5.485 60.164 1.00 49.08 H new ATOM 0 HB3 PHE A 116 -8.226 6.057 58.717 1.00 49.08 H new ATOM 0 HD1 PHE A 116 -6.361 6.379 61.699 1.00 45.47 H new ATOM 0 HD2 PHE A 116 -6.483 7.497 57.852 1.00 46.33 H new ATOM 0 HE1 PHE A 116 -4.219 7.250 61.886 1.00 44.89 H new ATOM 0 HE2 PHE A 116 -4.340 8.368 58.038 1.00 47.32 H new ATOM 0 HZ PHE A 116 -3.207 8.248 60.057 1.00 43.43 H new ATOM 565 N SER A 117 -10.905 6.827 58.488 1.00 51.33 N ATOM 566 CA SER A 117 -12.195 6.338 57.990 1.00 51.69 C ATOM 567 C SER A 117 -12.179 4.812 57.846 1.00 52.32 C ATOM 568 O SER A 117 -12.862 4.104 58.588 1.00 51.67 O ATOM 569 CB SER A 117 -12.510 6.957 56.626 1.00 51.28 C ATOM 570 OG SER A 117 -12.339 8.360 56.622 1.00 52.83 O ATOM 0 H SER A 117 -10.413 7.188 57.882 1.00 51.33 H new ATOM 0 HA SER A 117 -12.875 6.594 58.632 1.00 51.69 H new ATOM 0 HB2 SER A 117 -11.935 6.561 55.953 1.00 51.28 H new ATOM 0 HB3 SER A 117 -13.424 6.744 56.379 1.00 51.28 H new ATOM 0 HG SER A 117 -12.519 8.662 55.859 1.00 52.83 H new ATOM 571 N ARG A 118 -11.431 4.323 56.852 1.00 53.05 N ATOM 572 CA ARG A 118 -11.291 2.887 56.590 1.00 51.05 C ATOM 573 C ARG A 118 -10.095 2.305 57.376 1.00 52.38 C ATOM 574 O ARG A 118 -9.055 2.961 57.520 1.00 53.49 O ATOM 575 CB AARG A 118 -11.109 2.611 55.088 0.50 49.19 C ATOM 576 CB BARG A 118 -11.159 2.636 55.077 0.50 49.26 C ATOM 577 CG AARG A 118 -12.374 2.713 54.226 0.50 47.01 C ATOM 578 CG BARG A 118 -10.160 3.543 54.352 0.50 46.95 C ATOM 579 CD AARG A 118 -12.746 4.148 53.889 0.50 43.76 C ATOM 580 CD BARG A 118 -10.186 3.378 52.822 0.50 44.22 C ATOM 581 NE AARG A 118 -11.633 4.874 53.279 0.50 40.85 N ATOM 582 NE BARG A 118 -8.856 3.159 52.236 0.50 40.55 N ATOM 583 CZ AARG A 118 -11.577 6.198 53.159 0.50 39.62 C ATOM 584 CZ BARG A 118 -8.637 2.954 50.939 0.50 37.98 C ATOM 585 NH1AARG A 118 -12.578 6.953 53.593 0.50 41.48 N ATOM 586 NH1BARG A 118 -9.651 2.947 50.089 0.50 36.08 N ATOM 587 NH2AARG A 118 -10.492 6.773 52.662 0.50 36.85 N ATOM 588 NH2BARG A 118 -7.411 2.721 50.495 0.50 36.29 N ATOM 0 H ARG A 118 -10.988 4.819 56.307 1.00 53.05 H new ATOM 0 HA ARG A 118 -12.107 2.454 56.886 1.00 51.05 H new ATOM 0 HB2AARG A 118 -10.451 3.234 54.740 0.50 49.26 H new ATOM 0 HB2BARG A 118 -10.896 1.713 54.938 0.50 49.26 H new ATOM 0 HB3AARG A 118 -10.739 1.720 54.984 0.50 49.26 H new ATOM 0 HB3BARG A 118 -12.031 2.747 54.668 0.50 49.26 H new ATOM 0 HG2AARG A 118 -12.240 2.217 53.403 0.50 46.95 H new ATOM 0 HG2BARG A 118 -10.352 4.467 54.574 0.50 46.95 H new ATOM 0 HG3AARG A 118 -13.113 2.293 54.693 0.50 46.95 H new ATOM 0 HG3BARG A 118 -9.266 3.353 54.676 0.50 46.95 H new ATOM 0 HD2AARG A 118 -13.504 4.151 53.283 0.50 44.22 H new ATOM 0 HD2BARG A 118 -10.760 2.630 52.594 0.50 44.22 H new ATOM 0 HD3AARG A 118 -13.026 4.607 54.696 0.50 44.22 H new ATOM 0 HD3BARG A 118 -10.581 4.170 52.425 0.50 44.22 H new ATOM 0 HE AARG A 118 -10.971 4.415 52.978 0.50 40.55 H new ATOM 0 HE BARG A 118 -8.177 3.164 52.764 0.50 40.55 H new ATOM 0 HH11AARG A 118 -13.267 6.587 53.954 0.50 36.08 H new ATOM 0 HH11BARG A 118 -10.452 3.075 50.374 0.50 36.08 H new ATOM 0 HH12AARG A 118 -12.537 7.808 53.513 0.50 36.08 H new ATOM 0 HH12BARG A 118 -9.509 2.815 49.251 0.50 36.08 H new ATOM 0 HH21AARG A 118 -9.824 6.291 52.417 0.50 36.29 H new ATOM 0 HH21BARG A 118 -6.751 2.701 51.046 0.50 36.29 H new ATOM 0 HH22AARG A 118 -10.456 7.629 52.585 0.50 36.29 H new ATOM 0 HH22BARG A 118 -7.275 2.589 49.656 0.50 36.29 H new ATOM 589 N SER A 119 -10.260 1.088 57.901 1.00 51.28 N ATOM 590 CA SER A 119 -9.213 0.435 58.693 1.00 51.05 C ATOM 591 C SER A 119 -7.878 0.230 57.984 1.00 49.35 C ATOM 592 O SER A 119 -6.831 0.266 58.630 1.00 48.04 O ATOM 593 CB SER A 119 -9.707 -0.897 59.261 1.00 53.31 C ATOM 594 OG SER A 119 -10.090 -1.783 58.228 1.00 60.98 O ATOM 0 H SER A 119 -10.976 0.621 57.809 1.00 51.28 H new ATOM 0 HA SER A 119 -9.031 1.066 59.407 1.00 51.05 H new ATOM 0 HB2 SER A 119 -9.007 -1.303 59.796 1.00 53.31 H new ATOM 0 HB3 SER A 119 -10.460 -0.740 59.852 1.00 53.31 H new ATOM 0 HG SER A 119 -10.356 -2.506 58.563 1.00 60.98 H new ATOM 595 N ASP A 120 -7.909 0.011 56.670 1.00 47.78 N ATOM 596 CA ASP A 120 -6.670 -0.184 55.915 1.00 47.87 C ATOM 597 C ASP A 120 -5.784 1.050 56.045 1.00 48.31 C ATOM 598 O ASP A 120 -4.564 0.967 55.884 1.00 48.68 O ATOM 599 CB ASP A 120 -6.937 -0.478 54.430 1.00 48.35 C ATOM 600 CG ASP A 120 -7.477 0.727 53.671 1.00 47.76 C ATOM 601 OD1 ASP A 120 -8.623 1.100 53.939 1.00 49.36 O ATOM 602 OD2 ASP A 120 -6.775 1.282 52.800 1.00 46.41 O ATOM 0 H ASP A 120 -8.628 -0.028 56.200 1.00 47.78 H new ATOM 0 HA ASP A 120 -6.219 -0.956 56.290 1.00 47.87 H new ATOM 0 HB2 ASP A 120 -6.114 -0.775 54.011 1.00 48.35 H new ATOM 0 HB3 ASP A 120 -7.571 -1.209 54.359 1.00 48.35 H new ATOM 603 N GLU A 121 -6.408 2.192 56.328 1.00 47.11 N ATOM 604 CA GLU A 121 -5.683 3.445 56.494 1.00 47.39 C ATOM 605 C GLU A 121 -4.934 3.447 57.816 1.00 44.45 C ATOM 606 O GLU A 121 -3.845 4.015 57.921 1.00 43.59 O ATOM 607 CB GLU A 121 -6.641 4.636 56.442 1.00 50.76 C ATOM 608 CG GLU A 121 -7.301 4.821 55.096 1.00 53.50 C ATOM 609 CD GLU A 121 -8.172 6.057 55.027 1.00 56.33 C ATOM 610 OE1 GLU A 121 -9.114 6.189 55.845 1.00 54.79 O ATOM 611 OE2 GLU A 121 -7.916 6.893 54.134 1.00 60.08 O ATOM 0 H GLU A 121 -7.259 2.260 56.428 1.00 47.11 H new ATOM 0 HA GLU A 121 -5.047 3.525 55.766 1.00 47.39 H new ATOM 0 HB2 GLU A 121 -7.327 4.519 57.117 1.00 50.76 H new ATOM 0 HB3 GLU A 121 -6.154 5.444 56.669 1.00 50.76 H new ATOM 0 HG2 GLU A 121 -6.616 4.876 54.411 1.00 53.50 H new ATOM 0 HG3 GLU A 121 -7.841 4.040 54.896 1.00 53.50 H new ATOM 612 N LEU A 122 -5.539 2.830 58.827 1.00 41.15 N ATOM 613 CA LEU A 122 -4.921 2.739 60.142 1.00 39.77 C ATOM 614 C LEU A 122 -3.738 1.771 60.080 1.00 38.54 C ATOM 615 O LEU A 122 -2.705 2.009 60.698 1.00 38.71 O ATOM 616 CB LEU A 122 -5.944 2.280 61.188 1.00 38.91 C ATOM 617 CG LEU A 122 -5.453 2.148 62.635 1.00 38.50 C ATOM 618 CD1 LEU A 122 -5.096 3.507 63.218 1.00 37.29 C ATOM 619 CD2 LEU A 122 -6.520 1.480 63.471 1.00 35.92 C ATOM 0 H LEU A 122 -6.311 2.456 58.770 1.00 41.15 H new ATOM 0 HA LEU A 122 -4.600 3.616 60.406 1.00 39.77 H new ATOM 0 HB2 LEU A 122 -6.686 2.905 61.178 1.00 38.91 H new ATOM 0 HB3 LEU A 122 -6.294 1.419 60.909 1.00 38.91 H new ATOM 0 HG LEU A 122 -4.650 1.603 62.642 1.00 38.50 H new ATOM 0 HD11 LEU A 122 -4.789 3.397 64.132 1.00 37.29 H new ATOM 0 HD12 LEU A 122 -4.392 3.912 62.687 1.00 37.29 H new ATOM 0 HD13 LEU A 122 -5.879 4.080 63.207 1.00 37.29 H new ATOM 0 HD21 LEU A 122 -6.209 1.397 64.386 1.00 35.92 H new ATOM 0 HD22 LEU A 122 -7.329 2.015 63.452 1.00 35.92 H new ATOM 0 HD23 LEU A 122 -6.708 0.599 63.112 1.00 35.92 H new ATOM 620 N THR A 123 -3.884 0.698 59.308 1.00 36.79 N ATOM 621 CA THR A 123 -2.822 -0.285 59.161 1.00 36.06 C ATOM 622 C THR A 123 -1.598 0.345 58.513 1.00 35.94 C ATOM 623 O THR A 123 -0.475 0.096 58.938 1.00 36.13 O ATOM 624 CB THR A 123 -3.296 -1.491 58.340 1.00 38.67 C ATOM 625 OG1 THR A 123 -4.372 -2.138 59.036 1.00 43.34 O ATOM 626 CG2 THR A 123 -2.167 -2.490 58.130 1.00 39.18 C ATOM 0 H THR A 123 -4.596 0.522 58.859 1.00 36.79 H new ATOM 0 HA THR A 123 -2.580 -0.598 60.047 1.00 36.06 H new ATOM 0 HB THR A 123 -3.592 -1.175 57.472 1.00 38.67 H new ATOM 0 HG1 THR A 123 -4.637 -2.799 58.590 1.00 43.34 H new ATOM 0 HG21 THR A 123 -2.492 -3.241 57.609 1.00 39.18 H new ATOM 0 HG22 THR A 123 -1.438 -2.060 57.656 1.00 39.18 H new ATOM 0 HG23 THR A 123 -1.850 -2.806 58.991 1.00 39.18 H new ATOM 627 N ARG A 124 -1.811 1.168 57.490 1.00 36.14 N ATOM 628 CA ARG A 124 -0.696 1.842 56.818 1.00 35.36 C ATOM 629 C ARG A 124 -0.078 2.856 57.785 1.00 34.21 C ATOM 630 O ARG A 124 1.135 2.871 58.003 1.00 35.10 O ATOM 631 CB ARG A 124 -1.167 2.558 55.536 1.00 33.58 C ATOM 632 CG ARG A 124 -0.040 3.252 54.757 1.00 30.95 C ATOM 633 CD ARG A 124 -0.519 3.866 53.443 1.00 32.33 C ATOM 634 NE ARG A 124 -1.449 4.972 53.651 1.00 32.46 N ATOM 635 CZ ARG A 124 -1.897 5.777 52.689 1.00 30.67 C ATOM 636 NH1 ARG A 124 -1.509 5.615 51.431 1.00 26.55 N ATOM 637 NH2 ARG A 124 -2.729 6.762 52.990 1.00 31.94 N ATOM 0 H ARG A 124 -2.588 1.351 57.169 1.00 36.14 H new ATOM 0 HA ARG A 124 -0.037 1.179 56.561 1.00 35.36 H new ATOM 0 HB2 ARG A 124 -1.598 1.911 54.955 1.00 33.58 H new ATOM 0 HB3 ARG A 124 -1.837 3.218 55.773 1.00 33.58 H new ATOM 0 HG2 ARG A 124 0.350 3.947 55.311 1.00 30.95 H new ATOM 0 HG3 ARG A 124 0.663 2.609 54.572 1.00 30.95 H new ATOM 0 HD2 ARG A 124 0.247 4.182 52.938 1.00 32.33 H new ATOM 0 HD3 ARG A 124 -0.949 3.181 52.907 1.00 32.33 H new ATOM 0 HE ARG A 124 -1.728 5.114 54.452 1.00 32.46 H new ATOM 0 HH11 ARG A 124 -0.961 4.984 51.228 1.00 26.55 H new ATOM 0 HH12 ARG A 124 -1.805 6.141 50.819 1.00 26.55 H new ATOM 0 HH21 ARG A 124 -2.978 6.880 53.804 1.00 31.94 H new ATOM 0 HH22 ARG A 124 -3.020 7.283 52.371 1.00 31.94 H new ATOM 638 N HIS A 125 -0.934 3.683 58.375 1.00 32.97 N ATOM 639 CA HIS A 125 -0.507 4.701 59.317 1.00 33.19 C ATOM 640 C HIS A 125 0.283 4.138 60.491 1.00 33.70 C ATOM 641 O HIS A 125 1.246 4.755 60.946 1.00 32.91 O ATOM 642 CB HIS A 125 -1.726 5.455 59.850 1.00 34.01 C ATOM 643 CG HIS A 125 -1.455 6.235 61.100 1.00 35.64 C ATOM 644 ND1 HIS A 125 -0.896 7.494 61.089 1.00 35.18 N ATOM 645 CD2 HIS A 125 -1.641 5.920 62.404 1.00 34.58 C ATOM 646 CE1 HIS A 125 -0.747 7.920 62.330 1.00 33.96 C ATOM 647 NE2 HIS A 125 -1.192 6.984 63.146 1.00 35.46 N ATOM 0 H HIS A 125 -1.783 3.667 58.237 1.00 32.97 H new ATOM 0 HA HIS A 125 0.084 5.298 58.832 1.00 33.19 H new ATOM 0 HB2 HIS A 125 -2.047 6.061 59.164 1.00 34.01 H new ATOM 0 HB3 HIS A 125 -2.438 4.820 60.023 1.00 34.01 H new ATOM 0 HD1 HIS A 125 -0.678 7.934 60.383 1.00 35.18 H new ATOM 0 HD2 HIS A 125 -2.005 5.131 62.735 1.00 34.58 H new ATOM 0 HE1 HIS A 125 -0.389 8.740 62.585 1.00 33.96 H new ATOM 648 N ILE A 126 -0.141 2.978 60.986 1.00 34.90 N ATOM 649 CA ILE A 126 0.497 2.343 62.131 1.00 35.92 C ATOM 650 C ILE A 126 1.991 2.095 61.920 1.00 37.04 C ATOM 651 O ILE A 126 2.757 2.012 62.879 1.00 39.47 O ATOM 652 CB ILE A 126 -0.241 1.036 62.527 1.00 36.07 C ATOM 653 CG1 ILE A 126 -0.116 0.809 64.028 1.00 40.69 C ATOM 654 CG2 ILE A 126 0.343 -0.168 61.813 1.00 38.49 C ATOM 655 CD1 ILE A 126 -0.787 1.875 64.867 1.00 42.50 C ATOM 0 H ILE A 126 -0.807 2.538 60.666 1.00 34.90 H new ATOM 0 HA ILE A 126 0.427 2.969 62.868 1.00 35.92 H new ATOM 0 HB ILE A 126 -1.171 1.136 62.271 1.00 36.07 H new ATOM 0 HG12 ILE A 126 -0.501 -0.054 64.249 1.00 40.69 H new ATOM 0 HG13 ILE A 126 0.824 0.769 64.263 1.00 40.69 H new ATOM 0 HG21 ILE A 126 -0.137 -0.967 62.080 1.00 38.49 H new ATOM 0 HG22 ILE A 126 0.261 -0.047 60.854 1.00 38.49 H new ATOM 0 HG23 ILE A 126 1.280 -0.261 62.048 1.00 38.49 H new ATOM 0 HD11 ILE A 126 -0.669 1.669 65.807 1.00 42.50 H new ATOM 0 HD12 ILE A 126 -0.389 2.738 64.673 1.00 42.50 H new ATOM 0 HD13 ILE A 126 -1.734 1.902 64.659 1.00 42.50 H new ATOM 656 N ARG A 127 2.415 2.048 60.661 1.00 35.95 N ATOM 657 CA ARG A 127 3.815 1.815 60.354 1.00 35.67 C ATOM 658 C ARG A 127 4.717 2.978 60.752 1.00 34.96 C ATOM 659 O ARG A 127 5.925 2.797 60.892 1.00 34.32 O ATOM 660 CB ARG A 127 4.000 1.462 58.875 1.00 35.97 C ATOM 661 CG ARG A 127 3.231 0.223 58.457 1.00 37.05 C ATOM 662 CD ARG A 127 3.818 -0.438 57.221 1.00 40.58 C ATOM 663 NE ARG A 127 3.622 0.345 56.007 1.00 43.49 N ATOM 664 CZ ARG A 127 2.776 0.019 55.033 1.00 43.45 C ATOM 665 NH1 ARG A 127 2.031 -1.076 55.138 1.00 42.49 N ATOM 666 NH2 ARG A 127 2.669 0.796 53.957 1.00 40.39 N ATOM 0 H ARG A 127 1.907 2.149 59.974 1.00 35.95 H new ATOM 0 HA ARG A 127 4.090 1.057 60.893 1.00 35.67 H new ATOM 0 HB2 ARG A 127 3.714 2.212 58.331 1.00 35.97 H new ATOM 0 HB3 ARG A 127 4.944 1.326 58.696 1.00 35.97 H new ATOM 0 HG2 ARG A 127 3.227 -0.413 59.189 1.00 37.05 H new ATOM 0 HG3 ARG A 127 2.307 0.463 58.284 1.00 37.05 H new ATOM 0 HD2 ARG A 127 4.768 -0.581 57.357 1.00 40.58 H new ATOM 0 HD3 ARG A 127 3.413 -1.312 57.105 1.00 40.58 H new ATOM 0 HE ARG A 127 4.083 1.065 55.914 1.00 43.49 H new ATOM 0 HH11 ARG A 127 2.095 -1.575 55.836 1.00 42.49 H new ATOM 0 HH12 ARG A 127 1.484 -1.286 54.508 1.00 42.49 H new ATOM 0 HH21 ARG A 127 3.147 1.508 53.892 1.00 40.39 H new ATOM 0 HH22 ARG A 127 2.122 0.586 53.327 1.00 40.39 H new ATOM 667 N ILE A 128 4.142 4.166 60.946 1.00 34.63 N ATOM 668 CA ILE A 128 4.954 5.314 61.339 1.00 34.01 C ATOM 669 C ILE A 128 5.410 5.105 62.779 1.00 34.03 C ATOM 670 O ILE A 128 6.452 5.615 63.187 1.00 34.28 O ATOM 671 CB ILE A 128 4.199 6.683 61.209 1.00 35.16 C ATOM 672 CG1 ILE A 128 3.359 6.977 62.450 1.00 35.70 C ATOM 673 CG2 ILE A 128 3.291 6.693 59.981 1.00 34.22 C ATOM 674 CD1 ILE A 128 2.787 8.388 62.477 1.00 37.06 C ATOM 0 H ILE A 128 3.302 4.325 60.857 1.00 34.63 H new ATOM 0 HA ILE A 128 5.710 5.366 60.733 1.00 34.01 H new ATOM 0 HB ILE A 128 4.876 7.371 61.116 1.00 35.16 H new ATOM 0 HG12 ILE A 128 2.630 6.339 62.496 1.00 35.70 H new ATOM 0 HG13 ILE A 128 3.905 6.842 63.240 1.00 35.70 H new ATOM 0 HG21 ILE A 128 2.836 7.548 59.922 1.00 34.22 H new ATOM 0 HG22 ILE A 128 3.825 6.555 59.183 1.00 34.22 H new ATOM 0 HG23 ILE A 128 2.635 5.982 60.057 1.00 34.22 H new ATOM 0 HD11 ILE A 128 2.266 8.511 63.286 1.00 37.06 H new ATOM 0 HD12 ILE A 128 3.512 9.032 62.459 1.00 37.06 H new ATOM 0 HD13 ILE A 128 2.217 8.521 61.703 1.00 37.06 H new ATOM 675 N HIS A 129 4.641 4.308 63.521 1.00 32.27 N ATOM 676 CA HIS A 129 4.927 4.012 64.919 1.00 30.27 C ATOM 677 C HIS A 129 5.782 2.777 65.098 1.00 30.67 C ATOM 678 O HIS A 129 6.573 2.713 66.029 1.00 32.14 O ATOM 679 CB HIS A 129 3.634 3.841 65.702 1.00 30.37 C ATOM 680 CG HIS A 129 2.770 5.062 65.718 1.00 29.19 C ATOM 681 ND1 HIS A 129 3.270 6.321 65.966 1.00 30.01 N ATOM 682 CD2 HIS A 129 1.439 5.214 65.524 1.00 30.19 C ATOM 683 CE1 HIS A 129 2.283 7.199 65.926 1.00 32.38 C ATOM 684 NE2 HIS A 129 1.162 6.553 65.659 1.00 33.48 N ATOM 0 H HIS A 129 3.933 3.922 63.222 1.00 32.27 H new ATOM 0 HA HIS A 129 5.429 4.769 65.259 1.00 30.27 H new ATOM 0 HB2 HIS A 129 3.131 3.104 65.322 1.00 30.37 H new ATOM 0 HB3 HIS A 129 3.849 3.596 66.615 1.00 30.37 H new ATOM 0 HD1 HIS A 129 4.095 6.507 66.122 1.00 30.01 H new ATOM 0 HD2 HIS A 129 0.827 4.539 65.335 1.00 30.19 H new ATOM 0 HE1 HIS A 129 2.364 8.115 66.063 1.00 32.38 H new ATOM 685 N THR A 130 5.606 1.787 64.227 1.00 32.41 N ATOM 686 CA THR A 130 6.396 0.555 64.303 1.00 32.42 C ATOM 687 C THR A 130 7.734 0.711 63.556 1.00 34.83 C ATOM 688 O THR A 130 8.658 -0.084 63.742 1.00 34.61 O ATOM 689 CB THR A 130 5.633 -0.654 63.709 1.00 30.59 C ATOM 690 OG1 THR A 130 5.650 -0.591 62.277 1.00 27.89 O ATOM 691 CG2 THR A 130 4.194 -0.654 64.179 1.00 29.45 C ATOM 0 H THR A 130 5.035 1.806 63.584 1.00 32.41 H new ATOM 0 HA THR A 130 6.563 0.390 65.244 1.00 32.42 H new ATOM 0 HB THR A 130 6.072 -1.466 64.009 1.00 30.59 H new ATOM 0 HG1 THR A 130 5.031 -1.067 61.968 1.00 27.89 H new ATOM 0 HG21 THR A 130 3.729 -1.416 63.799 1.00 29.45 H new ATOM 0 HG22 THR A 130 4.170 -0.710 65.147 1.00 29.45 H new ATOM 0 HG23 THR A 130 3.760 0.165 63.892 1.00 29.45 H new ATOM 692 N GLY A 131 7.813 1.728 62.697 1.00 35.75 N ATOM 693 CA GLY A 131 9.013 1.983 61.919 1.00 36.13 C ATOM 694 C GLY A 131 9.248 1.002 60.778 1.00 37.14 C ATOM 695 O GLY A 131 10.334 0.978 60.188 1.00 36.74 O ATOM 0 H GLY A 131 7.173 2.284 62.553 1.00 35.75 H new ATOM 0 HA2 GLY A 131 8.963 2.880 61.554 1.00 36.13 H new ATOM 0 HA3 GLY A 131 9.780 1.961 62.512 1.00 36.13 H new ATOM 696 N GLN A 132 8.231 0.216 60.438 1.00 35.57 N ATOM 697 CA GLN A 132 8.372 -0.765 59.380 1.00 36.90 C ATOM 698 C GLN A 132 8.473 -0.158 57.973 1.00 35.80 C ATOM 699 O GLN A 132 7.641 0.652 57.567 1.00 33.11 O ATOM 700 CB GLN A 132 7.235 -1.781 59.441 1.00 41.51 C ATOM 701 CG GLN A 132 7.487 -3.001 58.566 1.00 52.95 C ATOM 702 CD GLN A 132 6.250 -3.863 58.353 1.00 59.23 C ATOM 703 OE1 GLN A 132 5.292 -3.454 57.684 1.00 61.08 O ATOM 704 NE2 GLN A 132 6.277 -5.075 58.899 1.00 62.78 N ATOM 0 H GLN A 132 7.455 0.238 60.809 1.00 35.57 H new ATOM 0 HA GLN A 132 9.220 -1.208 59.540 1.00 36.90 H new ATOM 0 HB2 GLN A 132 7.111 -2.067 60.360 1.00 41.51 H new ATOM 0 HB3 GLN A 132 6.410 -1.354 59.163 1.00 41.51 H new ATOM 0 HG2 GLN A 132 7.820 -2.708 57.704 1.00 52.95 H new ATOM 0 HG3 GLN A 132 8.183 -3.542 58.971 1.00 52.95 H new ATOM 0 HE21 GLN A 132 6.960 -5.325 59.358 1.00 62.78 H new ATOM 0 HE22 GLN A 132 5.611 -5.609 58.793 1.00 62.78 H new ATOM 705 N LYS A 133 9.519 -0.562 57.252 1.00 34.59 N ATOM 706 CA LYS A 133 9.791 -0.123 55.884 1.00 32.99 C ATOM 707 C LYS A 133 10.107 -1.355 55.044 1.00 32.23 C ATOM 708 O LYS A 133 11.269 -1.658 54.780 1.00 32.51 O ATOM 709 CB LYS A 133 10.980 0.829 55.855 1.00 30.53 C ATOM 710 CG LYS A 133 10.763 2.098 56.635 1.00 32.85 C ATOM 711 CD LYS A 133 11.894 3.065 56.397 1.00 39.02 C ATOM 712 CE LYS A 133 11.871 4.205 57.394 1.00 43.02 C ATOM 713 NZ LYS A 133 10.522 4.829 57.465 1.00 48.47 N ATOM 0 H LYS A 133 10.105 -1.114 57.554 1.00 34.59 H new ATOM 0 HA LYS A 133 9.017 0.344 55.531 1.00 32.99 H new ATOM 0 HB2 LYS A 133 11.759 0.371 56.209 1.00 30.53 H new ATOM 0 HB3 LYS A 133 11.179 1.056 54.933 1.00 30.53 H new ATOM 0 HG2 LYS A 133 9.922 2.505 56.373 1.00 32.85 H new ATOM 0 HG3 LYS A 133 10.698 1.895 57.581 1.00 32.85 H new ATOM 0 HD2 LYS A 133 12.741 2.596 56.460 1.00 39.02 H new ATOM 0 HD3 LYS A 133 11.833 3.420 55.496 1.00 39.02 H new ATOM 0 HE2 LYS A 133 12.125 3.877 58.271 1.00 43.02 H new ATOM 0 HE3 LYS A 133 12.527 4.873 57.140 1.00 43.02 H new ATOM 0 HZ1 LYS A 133 10.606 5.714 57.515 1.00 48.47 H new ATOM 0 HZ2 LYS A 133 10.058 4.617 56.736 1.00 48.47 H new ATOM 0 HZ3 LYS A 133 10.094 4.531 58.186 1.00 48.47 H new ATOM 714 N PRO A 134 9.065 -2.056 54.575 1.00 32.94 N ATOM 715 CA PRO A 134 9.133 -3.277 53.759 1.00 34.12 C ATOM 716 C PRO A 134 9.546 -3.133 52.294 1.00 34.36 C ATOM 717 O PRO A 134 9.600 -4.132 51.581 1.00 35.50 O ATOM 718 CB PRO A 134 7.702 -3.828 53.837 1.00 35.89 C ATOM 719 CG PRO A 134 7.012 -2.994 54.912 1.00 36.72 C ATOM 720 CD PRO A 134 7.666 -1.664 54.793 1.00 34.31 C ATOM 0 HA PRO A 134 9.839 -3.841 54.110 1.00 34.12 H new ATOM 0 HB2 PRO A 134 7.248 -3.746 52.984 1.00 35.89 H new ATOM 0 HB3 PRO A 134 7.701 -4.770 54.069 1.00 35.89 H new ATOM 0 HG2 PRO A 134 6.056 -2.937 54.760 1.00 36.72 H new ATOM 0 HG3 PRO A 134 7.137 -3.376 55.795 1.00 36.72 H new ATOM 0 HD2 PRO A 134 7.311 -1.146 54.054 1.00 34.31 H new ATOM 0 HD3 PRO A 134 7.556 -1.128 55.594 1.00 34.31 H new ATOM 721 N PHE A 135 9.819 -1.916 51.831 1.00 34.47 N ATOM 722 CA PHE A 135 10.192 -1.713 50.425 1.00 34.59 C ATOM 723 C PHE A 135 11.582 -1.128 50.262 1.00 34.36 C ATOM 724 O PHE A 135 11.837 0.031 50.595 1.00 36.42 O ATOM 725 CB PHE A 135 9.143 -0.849 49.718 1.00 34.00 C ATOM 726 CG PHE A 135 7.740 -1.366 49.883 1.00 31.30 C ATOM 727 CD1 PHE A 135 7.229 -2.318 49.009 1.00 30.60 C ATOM 728 CD2 PHE A 135 6.955 -0.947 50.954 1.00 30.58 C ATOM 729 CE1 PHE A 135 5.961 -2.847 49.204 1.00 28.60 C ATOM 730 CE2 PHE A 135 5.686 -1.471 51.157 1.00 26.91 C ATOM 731 CZ PHE A 135 5.190 -2.419 50.287 1.00 26.71 C ATOM 0 H PHE A 135 9.796 -1.199 52.305 1.00 34.47 H new ATOM 0 HA PHE A 135 10.216 -2.588 50.006 1.00 34.59 H new ATOM 0 HB2 PHE A 135 9.191 0.056 50.065 1.00 34.00 H new ATOM 0 HB3 PHE A 135 9.355 -0.802 48.773 1.00 34.00 H new ATOM 0 HD1 PHE A 135 7.741 -2.603 48.287 1.00 30.60 H new ATOM 0 HD2 PHE A 135 7.286 -0.307 51.542 1.00 30.58 H new ATOM 0 HE1 PHE A 135 5.626 -3.484 48.616 1.00 28.60 H new ATOM 0 HE2 PHE A 135 5.172 -1.184 51.877 1.00 26.91 H new ATOM 0 HZ PHE A 135 4.341 -2.774 50.422 1.00 26.71 H new ATOM 732 N GLN A 136 12.470 -1.944 49.714 1.00 32.79 N ATOM 733 CA GLN A 136 13.852 -1.564 49.522 1.00 32.39 C ATOM 734 C GLN A 136 14.277 -1.255 48.083 1.00 32.63 C ATOM 735 O GLN A 136 13.915 -1.961 47.135 1.00 31.93 O ATOM 736 CB GLN A 136 14.734 -2.666 50.090 1.00 33.21 C ATOM 737 CG GLN A 136 16.205 -2.380 50.011 1.00 36.35 C ATOM 738 CD GLN A 136 17.022 -3.482 50.621 1.00 36.50 C ATOM 739 OE1 GLN A 136 16.730 -4.661 50.434 1.00 39.38 O ATOM 740 NE2 GLN A 136 18.040 -3.109 51.377 1.00 37.49 N ATOM 0 H GLN A 136 12.283 -2.738 49.442 1.00 32.79 H new ATOM 0 HA GLN A 136 13.958 -0.720 49.988 1.00 32.39 H new ATOM 0 HB2 GLN A 136 14.493 -2.813 51.018 1.00 33.21 H new ATOM 0 HB3 GLN A 136 14.549 -3.491 49.615 1.00 33.21 H new ATOM 0 HG2 GLN A 136 16.462 -2.263 49.083 1.00 36.35 H new ATOM 0 HG3 GLN A 136 16.397 -1.545 50.466 1.00 36.35 H new ATOM 0 HE21 GLN A 136 18.213 -2.273 51.484 1.00 37.49 H new ATOM 0 HE22 GLN A 136 18.530 -3.702 51.762 1.00 37.49 H new ATOM 741 N CYS A 137 15.072 -0.197 47.952 1.00 31.55 N ATOM 742 CA CYS A 137 15.619 0.247 46.677 1.00 32.21 C ATOM 743 C CYS A 137 16.861 -0.598 46.385 1.00 35.52 C ATOM 744 O CYS A 137 17.882 -0.492 47.069 1.00 35.39 O ATOM 745 CB CYS A 137 15.999 1.729 46.768 1.00 30.10 C ATOM 746 SG CYS A 137 16.990 2.340 45.397 1.00 25.44 S ATOM 0 H CYS A 137 15.313 0.292 48.617 1.00 31.55 H new ATOM 0 HA CYS A 137 14.966 0.142 45.967 1.00 32.21 H new ATOM 0 HB2 CYS A 137 15.186 2.255 46.823 1.00 30.10 H new ATOM 0 HB3 CYS A 137 16.487 1.874 47.593 1.00 30.10 H new ATOM 747 N ARG A 138 16.764 -1.453 45.376 1.00 36.83 N ATOM 748 CA ARG A 138 17.869 -2.331 45.006 1.00 37.15 C ATOM 749 C ARG A 138 19.090 -1.593 44.475 1.00 35.41 C ATOM 750 O ARG A 138 20.125 -2.201 44.219 1.00 36.40 O ATOM 751 CB ARG A 138 17.385 -3.341 43.973 1.00 41.63 C ATOM 752 CG ARG A 138 16.613 -2.697 42.828 1.00 44.06 C ATOM 753 CD ARG A 138 15.790 -3.717 42.077 1.00 43.31 C ATOM 754 NE ARG A 138 16.627 -4.662 41.347 1.00 44.22 N ATOM 755 CZ ARG A 138 16.175 -5.794 40.821 1.00 43.49 C ATOM 756 NH1 ARG A 138 14.897 -6.122 40.954 1.00 44.42 N ATOM 757 NH2 ARG A 138 16.993 -6.585 40.141 1.00 43.93 N ATOM 0 H ARG A 138 16.061 -1.542 44.888 1.00 36.83 H new ATOM 0 HA ARG A 138 18.156 -2.776 45.819 1.00 37.15 H new ATOM 0 HB2 ARG A 138 18.148 -3.819 43.613 1.00 41.63 H new ATOM 0 HB3 ARG A 138 16.819 -3.997 44.410 1.00 41.63 H new ATOM 0 HG2 ARG A 138 16.032 -2.003 43.177 1.00 44.06 H new ATOM 0 HG3 ARG A 138 17.233 -2.267 42.219 1.00 44.06 H new ATOM 0 HD2 ARG A 138 15.227 -4.200 42.701 1.00 43.31 H new ATOM 0 HD3 ARG A 138 15.200 -3.262 41.456 1.00 43.31 H new ATOM 0 HE ARG A 138 17.461 -4.475 41.252 1.00 44.22 H new ATOM 0 HH11 ARG A 138 14.362 -5.602 41.381 1.00 44.42 H new ATOM 0 HH12 ARG A 138 14.604 -6.855 40.613 1.00 44.42 H new ATOM 0 HH21 ARG A 138 17.818 -6.365 40.040 1.00 43.93 H new ATOM 0 HH22 ARG A 138 16.698 -7.318 39.801 1.00 43.93 H new ATOM 758 N ILE A 139 18.982 -0.280 44.325 1.00 32.94 N ATOM 759 CA ILE A 139 20.100 0.480 43.809 1.00 29.70 C ATOM 760 C ILE A 139 20.962 1.034 44.922 1.00 31.38 C ATOM 761 O ILE A 139 22.177 0.843 44.915 1.00 32.26 O ATOM 762 CB ILE A 139 19.623 1.595 42.864 1.00 28.08 C ATOM 763 CG1 ILE A 139 18.936 0.959 41.651 1.00 22.62 C ATOM 764 CG2 ILE A 139 20.798 2.480 42.438 1.00 25.29 C ATOM 765 CD1 ILE A 139 18.337 1.937 40.705 1.00 24.99 C ATOM 0 H ILE A 139 18.281 0.181 44.514 1.00 32.94 H new ATOM 0 HA ILE A 139 20.652 -0.129 43.295 1.00 29.70 H new ATOM 0 HB ILE A 139 18.987 2.164 43.324 1.00 28.08 H new ATOM 0 HG12 ILE A 139 19.583 0.417 41.173 1.00 22.62 H new ATOM 0 HG13 ILE A 139 18.240 0.360 41.964 1.00 22.62 H new ATOM 0 HG21 ILE A 139 20.479 3.177 41.843 1.00 25.29 H new ATOM 0 HG22 ILE A 139 21.200 2.884 43.223 1.00 25.29 H new ATOM 0 HG23 ILE A 139 21.460 1.940 41.978 1.00 25.29 H new ATOM 0 HD11 ILE A 139 17.923 1.462 39.967 1.00 24.99 H new ATOM 0 HD12 ILE A 139 17.666 2.465 41.166 1.00 24.99 H new ATOM 0 HD13 ILE A 139 19.030 2.523 40.363 1.00 24.99 H new ATOM 766 N CYS A 140 20.338 1.687 45.898 1.00 30.33 N ATOM 767 CA CYS A 140 21.091 2.265 47.007 1.00 28.45 C ATOM 768 C CYS A 140 20.833 1.546 48.322 1.00 30.06 C ATOM 769 O CYS A 140 21.349 1.952 49.364 1.00 29.67 O ATOM 770 CB CYS A 140 20.747 3.739 47.168 1.00 27.42 C ATOM 771 SG CYS A 140 19.070 4.013 47.773 1.00 25.02 S ATOM 0 H CYS A 140 19.487 1.806 45.937 1.00 30.33 H new ATOM 0 HA CYS A 140 22.031 2.162 46.790 1.00 28.45 H new ATOM 0 HB2 CYS A 140 21.377 4.147 47.782 1.00 27.42 H new ATOM 0 HB3 CYS A 140 20.854 4.186 46.314 1.00 27.42 H new ATOM 772 N MET A 141 20.011 0.502 48.274 1.00 32.54 N ATOM 773 CA MET A 141 19.674 -0.294 49.455 1.00 36.43 C ATOM 774 C MET A 141 18.857 0.421 50.547 1.00 34.51 C ATOM 775 O MET A 141 18.658 -0.131 51.623 1.00 34.58 O ATOM 776 CB MET A 141 20.946 -0.919 50.060 1.00 39.35 C ATOM 777 CG MET A 141 21.259 -2.343 49.589 1.00 45.14 C ATOM 778 SD MET A 141 21.154 -2.658 47.797 1.00 53.33 S ATOM 779 CE MET A 141 19.869 -3.941 47.771 1.00 49.47 C ATOM 0 H MET A 141 19.630 0.232 47.552 1.00 32.54 H new ATOM 0 HA MET A 141 19.076 -0.980 49.119 1.00 36.43 H new ATOM 0 HB2 MET A 141 21.702 -0.350 49.847 1.00 39.35 H new ATOM 0 HB3 MET A 141 20.858 -0.925 51.026 1.00 39.35 H new ATOM 0 HG2 MET A 141 22.155 -2.569 49.884 1.00 45.14 H new ATOM 0 HG3 MET A 141 20.651 -2.951 50.039 1.00 45.14 H new ATOM 0 HE1 MET A 141 19.759 -4.270 46.865 1.00 49.47 H new ATOM 0 HE2 MET A 141 20.131 -4.673 48.351 1.00 49.47 H new ATOM 0 HE3 MET A 141 19.031 -3.566 48.083 1.00 49.47 H new ATOM 780 N ARG A 142 18.373 1.629 50.275 1.00 32.33 N ATOM 781 CA ARG A 142 17.581 2.347 51.265 1.00 29.17 C ATOM 782 C ARG A 142 16.213 1.690 51.379 1.00 28.54 C ATOM 783 O ARG A 142 15.745 1.050 50.436 1.00 28.99 O ATOM 784 CB ARG A 142 17.442 3.829 50.898 1.00 27.30 C ATOM 785 CG ARG A 142 16.680 4.662 51.934 1.00 25.94 C ATOM 786 CD ARG A 142 16.649 6.160 51.573 1.00 27.15 C ATOM 787 NE ARG A 142 15.819 6.926 52.507 1.00 28.02 N ATOM 788 CZ ARG A 142 15.939 8.233 52.752 1.00 27.83 C ATOM 789 NH1 ARG A 142 16.856 8.962 52.127 1.00 25.44 N ATOM 790 NH2 ARG A 142 15.175 8.804 53.674 1.00 24.38 N ATOM 0 H ARG A 142 18.490 2.046 49.532 1.00 32.33 H new ATOM 0 HA ARG A 142 18.034 2.304 52.122 1.00 29.17 H new ATOM 0 HB2 ARG A 142 18.327 4.208 50.781 1.00 27.30 H new ATOM 0 HB3 ARG A 142 16.988 3.899 50.044 1.00 27.30 H new ATOM 0 HG2 ARG A 142 15.771 4.330 52.007 1.00 25.94 H new ATOM 0 HG3 ARG A 142 17.094 4.550 52.804 1.00 25.94 H new ATOM 0 HD2 ARG A 142 17.552 6.513 51.578 1.00 27.15 H new ATOM 0 HD3 ARG A 142 16.307 6.269 50.672 1.00 27.15 H new ATOM 0 HE ARG A 142 15.205 6.499 52.932 1.00 28.02 H new ATOM 0 HH11 ARG A 142 17.383 8.593 51.556 1.00 25.44 H new ATOM 0 HH12 ARG A 142 16.923 9.803 52.293 1.00 25.44 H new ATOM 0 HH21 ARG A 142 14.604 8.332 54.112 1.00 24.38 H new ATOM 0 HH22 ARG A 142 15.250 9.646 53.834 1.00 24.38 H new ATOM 791 N ASN A 143 15.595 1.825 52.549 1.00 26.37 N ATOM 792 CA ASN A 143 14.280 1.249 52.805 1.00 24.07 C ATOM 793 C ASN A 143 13.210 2.320 52.850 1.00 21.61 C ATOM 794 O ASN A 143 13.477 3.438 53.268 1.00 23.07 O ATOM 795 CB ASN A 143 14.293 0.485 54.125 1.00 26.17 C ATOM 796 CG ASN A 143 15.210 -0.712 54.087 1.00 27.58 C ATOM 797 OD1 ASN A 143 16.128 -0.833 54.899 1.00 31.02 O ATOM 798 ND2 ASN A 143 14.982 -1.599 53.127 1.00 25.07 N ATOM 0 H ASN A 143 15.927 2.253 53.217 1.00 26.37 H new ATOM 0 HA ASN A 143 14.074 0.641 52.078 1.00 24.07 H new ATOM 0 HB2 ASN A 143 14.572 1.081 54.838 1.00 26.17 H new ATOM 0 HB3 ASN A 143 13.392 0.193 54.336 1.00 26.17 H new ATOM 0 HD21 ASN A 143 15.485 -2.292 53.054 1.00 25.07 H new ATOM 0 HD22 ASN A 143 14.331 -1.481 52.578 1.00 25.07 H new ATOM 799 N PHE A 144 11.999 1.965 52.422 1.00 22.05 N ATOM 800 CA PHE A 144 10.861 2.887 52.400 1.00 22.43 C ATOM 801 C PHE A 144 9.609 2.233 52.950 1.00 22.63 C ATOM 802 O PHE A 144 9.426 1.021 52.828 1.00 23.08 O ATOM 803 CB PHE A 144 10.596 3.381 50.975 1.00 23.44 C ATOM 804 CG PHE A 144 11.735 4.152 50.396 1.00 23.52 C ATOM 805 CD1 PHE A 144 11.829 5.526 50.599 1.00 20.56 C ATOM 806 CD2 PHE A 144 12.758 3.491 49.716 1.00 23.81 C ATOM 807 CE1 PHE A 144 12.921 6.232 50.148 1.00 20.20 C ATOM 808 CE2 PHE A 144 13.858 4.185 49.257 1.00 23.38 C ATOM 809 CZ PHE A 144 13.942 5.565 49.475 1.00 24.80 C ATOM 0 H PHE A 144 11.813 1.176 52.134 1.00 22.05 H new ATOM 0 HA PHE A 144 11.088 3.642 52.965 1.00 22.43 H new ATOM 0 HB2 PHE A 144 10.407 2.619 50.405 1.00 23.44 H new ATOM 0 HB3 PHE A 144 9.803 3.939 50.975 1.00 23.44 H new ATOM 0 HD1 PHE A 144 11.146 5.972 51.045 1.00 20.56 H new ATOM 0 HD2 PHE A 144 12.698 2.574 49.571 1.00 23.81 H new ATOM 0 HE1 PHE A 144 12.977 7.149 50.292 1.00 20.20 H new ATOM 0 HE2 PHE A 144 14.539 3.739 48.806 1.00 23.38 H new ATOM 0 HZ PHE A 144 14.682 6.038 49.169 1.00 24.80 H new ATOM 810 N SER A 145 8.734 3.048 53.527 1.00 23.73 N ATOM 811 CA SER A 145 7.507 2.550 54.116 1.00 24.97 C ATOM 812 C SER A 145 6.456 2.209 53.089 1.00 26.03 C ATOM 813 O SER A 145 5.586 1.376 53.340 1.00 28.95 O ATOM 814 CB SER A 145 6.913 3.578 55.077 1.00 27.78 C ATOM 815 OG SER A 145 6.608 4.791 54.408 1.00 27.20 O ATOM 0 H SER A 145 8.837 3.900 53.586 1.00 23.73 H new ATOM 0 HA SER A 145 7.752 1.738 54.586 1.00 24.97 H new ATOM 0 HB2 SER A 145 6.108 3.218 55.482 1.00 27.78 H new ATOM 0 HB3 SER A 145 7.540 3.752 55.797 1.00 27.78 H new ATOM 0 HG SER A 145 6.139 5.277 54.908 1.00 27.20 H new ATOM 816 N ARG A 146 6.578 2.777 51.903 1.00 27.22 N ATOM 817 CA ARG A 146 5.544 2.560 50.892 1.00 26.74 C ATOM 818 C ARG A 146 6.114 2.306 49.510 1.00 25.50 C ATOM 819 O ARG A 146 7.145 2.826 49.119 1.00 24.95 O ATOM 820 CB ARG A 146 4.566 3.743 50.870 1.00 27.24 C ATOM 821 CG ARG A 146 4.113 4.143 52.275 1.00 28.36 C ATOM 822 CD ARG A 146 2.922 5.045 52.357 1.00 28.56 C ATOM 823 NE ARG A 146 2.696 5.745 51.110 1.00 28.41 N ATOM 824 CZ ARG A 146 1.901 6.804 50.984 1.00 26.61 C ATOM 825 NH1 ARG A 146 1.263 7.297 52.031 1.00 23.34 N ATOM 826 NH2 ARG A 146 1.722 7.356 49.800 1.00 26.40 N ATOM 0 H ARG A 146 7.232 3.280 51.661 1.00 27.22 H new ATOM 0 HA ARG A 146 5.066 1.754 51.143 1.00 26.74 H new ATOM 0 HB2 ARG A 146 4.989 4.502 50.440 1.00 27.24 H new ATOM 0 HB3 ARG A 146 3.791 3.510 50.336 1.00 27.24 H new ATOM 0 HG2 ARG A 146 3.917 3.334 52.773 1.00 28.36 H new ATOM 0 HG3 ARG A 146 4.856 4.578 52.722 1.00 28.36 H new ATOM 0 HD2 ARG A 146 2.136 4.524 52.583 1.00 28.56 H new ATOM 0 HD3 ARG A 146 3.051 5.689 53.071 1.00 28.56 H new ATOM 0 HE ARG A 146 3.101 5.458 50.407 1.00 28.41 H new ATOM 0 HH11 ARG A 146 1.360 6.933 52.804 1.00 23.34 H new ATOM 0 HH12 ARG A 146 0.751 7.982 51.939 1.00 23.34 H new ATOM 0 HH21 ARG A 146 2.119 7.031 49.110 1.00 26.40 H new ATOM 0 HH22 ARG A 146 1.208 8.041 49.718 1.00 26.40 H new ATOM 827 N SER A 147 5.430 1.464 48.738 1.00 26.56 N ATOM 828 CA SER A 147 5.873 1.068 47.397 1.00 27.13 C ATOM 829 C SER A 147 5.844 2.220 46.399 1.00 25.54 C ATOM 830 O SER A 147 6.688 2.306 45.510 1.00 25.65 O ATOM 831 CB SER A 147 4.984 -0.068 46.847 1.00 27.24 C ATOM 832 OG SER A 147 3.614 0.315 46.862 1.00 26.72 O ATOM 0 H SER A 147 4.688 1.102 48.978 1.00 26.56 H new ATOM 0 HA SER A 147 6.791 0.771 47.496 1.00 27.13 H new ATOM 0 HB2 SER A 147 5.254 -0.287 45.941 1.00 27.24 H new ATOM 0 HB3 SER A 147 5.107 -0.869 47.381 1.00 27.24 H new ATOM 0 HG SER A 147 3.138 -0.355 47.036 1.00 26.72 H new ATOM 833 N ASP A 148 4.862 3.103 46.538 1.00 23.93 N ATOM 834 CA ASP A 148 4.730 4.238 45.632 1.00 24.86 C ATOM 835 C ASP A 148 5.828 5.258 45.858 1.00 22.79 C ATOM 836 O ASP A 148 6.291 5.889 44.915 1.00 25.15 O ATOM 837 CB ASP A 148 3.335 4.883 45.743 1.00 27.79 C ATOM 838 CG ASP A 148 3.028 5.406 47.141 1.00 32.15 C ATOM 839 OD1 ASP A 148 3.433 4.779 48.144 1.00 32.61 O ATOM 840 OD2 ASP A 148 2.364 6.462 47.233 1.00 34.89 O ATOM 0 H ASP A 148 4.261 3.063 47.151 1.00 23.93 H new ATOM 0 HA ASP A 148 4.827 3.902 44.727 1.00 24.86 H new ATOM 0 HB2 ASP A 148 3.271 5.614 45.109 1.00 27.79 H new ATOM 0 HB3 ASP A 148 2.662 4.231 45.493 1.00 27.79 H new ATOM 841 N HIS A 149 6.265 5.408 47.101 1.00 21.29 N ATOM 842 CA HIS A 149 7.334 6.354 47.397 1.00 21.49 C ATOM 843 C HIS A 149 8.697 5.807 46.980 1.00 21.70 C ATOM 844 O HIS A 149 9.648 6.565 46.811 1.00 22.78 O ATOM 845 CB HIS A 149 7.314 6.735 48.869 1.00 23.15 C ATOM 846 CG HIS A 149 6.135 7.573 49.254 1.00 24.74 C ATOM 847 ND1 HIS A 149 5.408 8.298 48.334 1.00 24.35 N ATOM 848 CD2 HIS A 149 5.566 7.816 50.459 1.00 24.29 C ATOM 849 CE1 HIS A 149 4.443 8.951 48.953 1.00 24.50 C ATOM 850 NE2 HIS A 149 4.517 8.675 50.244 1.00 25.86 N ATOM 0 H HIS A 149 5.961 4.978 47.781 1.00 21.29 H new ATOM 0 HA HIS A 149 7.179 7.157 46.875 1.00 21.49 H new ATOM 0 HB2 HIS A 149 7.316 5.926 49.405 1.00 23.15 H new ATOM 0 HB3 HIS A 149 8.128 7.218 49.082 1.00 23.15 H new ATOM 0 HD2 HIS A 149 5.835 7.467 51.278 1.00 24.29 H new ATOM 0 HE1 HIS A 149 3.818 9.510 48.550 1.00 24.50 H new ATOM 0 HE2 HIS A 149 3.992 8.984 50.851 1.00 25.86 H new ATOM 851 N LEU A 150 8.788 4.486 46.832 1.00 20.27 N ATOM 852 CA LEU A 150 10.021 3.842 46.393 1.00 22.59 C ATOM 853 C LEU A 150 10.151 4.018 44.878 1.00 21.66 C ATOM 854 O LEU A 150 11.248 4.214 44.359 1.00 21.77 O ATOM 855 CB LEU A 150 10.005 2.346 46.742 1.00 22.45 C ATOM 856 CG LEU A 150 10.987 1.442 45.984 1.00 21.86 C ATOM 857 CD1 LEU A 150 12.410 1.778 46.380 1.00 22.08 C ATOM 858 CD2 LEU A 150 10.692 -0.016 46.281 1.00 20.43 C ATOM 0 H LEU A 150 8.139 3.942 46.983 1.00 20.27 H new ATOM 0 HA LEU A 150 10.776 4.251 46.845 1.00 22.59 H new ATOM 0 HB2 LEU A 150 10.184 2.256 47.691 1.00 22.45 H new ATOM 0 HB3 LEU A 150 9.108 2.011 46.590 1.00 22.45 H new ATOM 0 HG LEU A 150 10.882 1.593 45.032 1.00 21.86 H new ATOM 0 HD11 LEU A 150 13.025 1.203 45.898 1.00 22.08 H new ATOM 0 HD12 LEU A 150 12.596 2.705 46.163 1.00 22.08 H new ATOM 0 HD13 LEU A 150 12.521 1.641 47.334 1.00 22.08 H new ATOM 0 HD21 LEU A 150 11.318 -0.578 45.798 1.00 20.43 H new ATOM 0 HD22 LEU A 150 10.782 -0.177 47.233 1.00 20.43 H new ATOM 0 HD23 LEU A 150 9.787 -0.227 46.002 1.00 20.43 H new ATOM 859 N THR A 151 9.025 3.913 44.176 1.00 22.20 N ATOM 860 CA THR A 151 9.001 4.070 42.726 1.00 21.86 C ATOM 861 C THR A 151 9.503 5.452 42.333 1.00 23.02 C ATOM 862 O THR A 151 10.350 5.588 41.445 1.00 23.98 O ATOM 863 CB THR A 151 7.583 3.878 42.166 1.00 20.87 C ATOM 864 OG1 THR A 151 7.161 2.531 42.395 1.00 21.53 O ATOM 865 CG2 THR A 151 7.567 4.142 40.680 1.00 19.58 C ATOM 0 H THR A 151 8.257 3.749 44.526 1.00 22.20 H new ATOM 0 HA THR A 151 9.582 3.389 42.352 1.00 21.86 H new ATOM 0 HB THR A 151 6.986 4.499 42.611 1.00 20.87 H new ATOM 0 HG1 THR A 151 6.323 2.491 42.364 1.00 21.53 H new ATOM 0 HG21 THR A 151 6.668 4.018 40.339 1.00 19.58 H new ATOM 0 HG22 THR A 151 7.854 5.053 40.510 1.00 19.58 H new ATOM 0 HG23 THR A 151 8.169 3.525 40.235 1.00 19.58 H new ATOM 866 N THR A 152 8.993 6.478 43.005 1.00 21.96 N ATOM 867 CA THR A 152 9.418 7.831 42.701 1.00 23.45 C ATOM 868 C THR A 152 10.842 8.104 43.182 1.00 25.22 C ATOM 869 O THR A 152 11.559 8.895 42.574 1.00 25.43 O ATOM 870 CB THR A 152 8.439 8.873 43.248 1.00 21.62 C ATOM 871 OG1 THR A 152 8.360 8.777 44.673 1.00 20.49 O ATOM 872 CG2 THR A 152 7.070 8.643 42.648 1.00 22.42 C ATOM 0 H THR A 152 8.408 6.411 43.632 1.00 21.96 H new ATOM 0 HA THR A 152 9.418 7.912 41.734 1.00 23.45 H new ATOM 0 HB THR A 152 8.755 9.759 43.010 1.00 21.62 H new ATOM 0 HG1 THR A 152 8.835 8.136 44.938 1.00 20.49 H new ATOM 0 HG21 THR A 152 6.450 9.303 42.995 1.00 22.42 H new ATOM 0 HG22 THR A 152 7.122 8.724 41.683 1.00 22.42 H new ATOM 0 HG23 THR A 152 6.759 7.754 42.881 1.00 22.42 H new ATOM 873 N HIS A 153 11.257 7.429 44.256 1.00 27.41 N ATOM 874 CA HIS A 153 12.609 7.585 44.793 1.00 24.69 C ATOM 875 C HIS A 153 13.626 7.111 43.766 1.00 24.87 C ATOM 876 O HIS A 153 14.611 7.787 43.502 1.00 25.00 O ATOM 877 CB HIS A 153 12.793 6.763 46.064 1.00 21.89 C ATOM 878 CG HIS A 153 14.225 6.459 46.367 1.00 23.72 C ATOM 879 ND1 HIS A 153 15.095 7.400 46.878 1.00 23.54 N ATOM 880 CD2 HIS A 153 14.963 5.341 46.163 1.00 23.89 C ATOM 881 CE1 HIS A 153 16.305 6.878 46.970 1.00 21.11 C ATOM 882 NE2 HIS A 153 16.252 5.629 46.541 1.00 21.87 N ATOM 0 H HIS A 153 10.766 6.872 44.690 1.00 27.41 H new ATOM 0 HA HIS A 153 12.741 8.524 44.998 1.00 24.69 H new ATOM 0 HB2 HIS A 153 12.405 7.244 46.812 1.00 21.89 H new ATOM 0 HB3 HIS A 153 12.303 5.930 45.977 1.00 21.89 H new ATOM 0 HD1 HIS A 153 14.882 8.203 47.102 1.00 23.54 H new ATOM 0 HD2 HIS A 153 14.654 4.530 45.829 1.00 23.89 H new ATOM 0 HE1 HIS A 153 17.064 7.315 47.283 1.00 21.11 H new ATOM 883 N ILE A 154 13.374 5.935 43.201 1.00 24.65 N ATOM 884 CA ILE A 154 14.249 5.336 42.205 1.00 23.21 C ATOM 885 C ILE A 154 14.504 6.240 41.001 1.00 24.43 C ATOM 886 O ILE A 154 15.570 6.172 40.383 1.00 21.84 O ATOM 887 CB ILE A 154 13.681 3.996 41.742 1.00 22.67 C ATOM 888 CG1 ILE A 154 13.727 3.002 42.900 1.00 22.28 C ATOM 889 CG2 ILE A 154 14.459 3.468 40.544 1.00 21.90 C ATOM 890 CD1 ILE A 154 12.934 1.752 42.646 1.00 23.79 C ATOM 0 H ILE A 154 12.683 5.459 43.388 1.00 24.65 H new ATOM 0 HA ILE A 154 15.107 5.202 42.638 1.00 23.21 H new ATOM 0 HB ILE A 154 12.760 4.117 41.464 1.00 22.67 H new ATOM 0 HG12 ILE A 154 14.650 2.761 43.074 1.00 22.28 H new ATOM 0 HG13 ILE A 154 13.390 3.433 43.701 1.00 22.28 H new ATOM 0 HG21 ILE A 154 14.085 2.618 40.264 1.00 21.90 H new ATOM 0 HG22 ILE A 154 14.399 4.103 39.813 1.00 21.90 H new ATOM 0 HG23 ILE A 154 15.389 3.346 40.790 1.00 21.90 H new ATOM 0 HD11 ILE A 154 13.002 1.164 43.414 1.00 23.79 H new ATOM 0 HD12 ILE A 154 12.004 1.983 42.498 1.00 23.79 H new ATOM 0 HD13 ILE A 154 13.283 1.301 41.862 1.00 23.79 H new ATOM 891 N ARG A 155 13.538 7.100 40.679 1.00 24.11 N ATOM 892 CA ARG A 155 13.696 8.022 39.550 1.00 23.21 C ATOM 893 C ARG A 155 14.834 9.015 39.792 1.00 22.73 C ATOM 894 O ARG A 155 15.323 9.646 38.859 1.00 22.77 O ATOM 895 CB ARG A 155 12.378 8.749 39.247 1.00 21.03 C ATOM 896 CG ARG A 155 11.265 7.790 38.885 1.00 18.73 C ATOM 897 CD ARG A 155 10.052 8.481 38.340 1.00 20.82 C ATOM 898 NE ARG A 155 9.015 7.505 38.022 1.00 23.83 N ATOM 899 CZ ARG A 155 7.711 7.697 38.202 1.00 23.50 C ATOM 900 NH1 ARG A 155 7.256 8.841 38.692 1.00 21.30 N ATOM 901 NH2 ARG A 155 6.864 6.712 37.940 1.00 24.25 N ATOM 0 H ARG A 155 12.789 7.167 41.097 1.00 24.11 H new ATOM 0 HA ARG A 155 13.933 7.495 38.771 1.00 23.21 H new ATOM 0 HB2 ARG A 155 12.114 9.271 40.020 1.00 21.03 H new ATOM 0 HB3 ARG A 155 12.515 9.373 38.517 1.00 21.03 H new ATOM 0 HG2 ARG A 155 11.592 7.155 38.228 1.00 18.73 H new ATOM 0 HG3 ARG A 155 11.015 7.281 39.672 1.00 18.73 H new ATOM 0 HD2 ARG A 155 9.717 9.119 38.989 1.00 20.82 H new ATOM 0 HD3 ARG A 155 10.288 8.983 37.544 1.00 20.82 H new ATOM 0 HE ARG A 155 9.265 6.750 37.694 1.00 23.83 H new ATOM 0 HH11 ARG A 155 7.806 9.470 38.898 1.00 21.30 H new ATOM 0 HH12 ARG A 155 6.411 8.955 38.804 1.00 21.30 H new ATOM 0 HH21 ARG A 155 7.159 5.956 37.656 1.00 24.25 H new ATOM 0 HH22 ARG A 155 6.020 6.829 38.054 1.00 24.25 H new ATOM 902 N THR A 156 15.269 9.123 41.046 1.00 24.63 N ATOM 903 CA THR A 156 16.358 10.019 41.415 1.00 24.12 C ATOM 904 C THR A 156 17.688 9.403 40.983 1.00 24.95 C ATOM 905 O THR A 156 18.685 10.110 40.824 1.00 23.81 O ATOM 906 CB THR A 156 16.373 10.340 42.946 1.00 23.20 C ATOM 907 OG1 THR A 156 16.730 9.176 43.698 1.00 22.05 O ATOM 908 CG2 THR A 156 15.002 10.837 43.405 1.00 22.16 C ATOM 0 H THR A 156 14.940 8.679 41.705 1.00 24.63 H new ATOM 0 HA THR A 156 16.220 10.862 40.956 1.00 24.12 H new ATOM 0 HB THR A 156 17.032 11.035 43.099 1.00 23.20 H new ATOM 0 HG1 THR A 156 16.133 8.592 43.610 1.00 22.05 H new ATOM 0 HG21 THR A 156 15.029 11.031 44.355 1.00 22.16 H new ATOM 0 HG22 THR A 156 14.770 11.643 42.917 1.00 22.16 H new ATOM 0 HG23 THR A 156 14.336 10.153 43.234 1.00 22.16 H new ATOM 909 N HIS A 157 17.687 8.080 40.802 1.00 25.05 N ATOM 910 CA HIS A 157 18.862 7.337 40.361 1.00 26.02 C ATOM 911 C HIS A 157 18.907 7.302 38.823 1.00 27.60 C ATOM 912 O HIS A 157 19.920 7.639 38.208 1.00 29.75 O ATOM 913 CB HIS A 157 18.808 5.884 40.853 1.00 21.39 C ATOM 914 CG HIS A 157 18.782 5.733 42.337 1.00 20.04 C ATOM 915 ND1 HIS A 157 19.707 6.328 43.165 1.00 22.64 N ATOM 916 CD2 HIS A 157 17.962 5.018 43.143 1.00 20.79 C ATOM 917 CE1 HIS A 157 19.459 5.989 44.419 1.00 22.39 C ATOM 918 NE2 HIS A 157 18.405 5.193 44.433 1.00 22.23 N ATOM 0 H HIS A 157 16.995 7.587 40.934 1.00 25.05 H new ATOM 0 HA HIS A 157 19.645 7.780 40.724 1.00 26.02 H new ATOM 0 HB2 HIS A 157 18.019 5.458 40.482 1.00 21.39 H new ATOM 0 HB3 HIS A 157 19.578 5.408 40.504 1.00 21.39 H new ATOM 0 HD1 HIS A 157 20.347 6.841 42.907 1.00 22.64 H new ATOM 0 HD2 HIS A 157 17.235 4.504 42.874 1.00 20.79 H new ATOM 0 HE1 HIS A 157 19.944 6.264 45.164 1.00 22.39 H new ATOM 919 N THR A 158 17.794 6.873 38.225 1.00 29.20 N ATOM 920 CA THR A 158 17.655 6.718 36.774 1.00 29.50 C ATOM 921 C THR A 158 17.457 7.993 35.963 1.00 28.45 C ATOM 922 O THR A 158 17.747 8.012 34.767 1.00 27.22 O ATOM 923 CB THR A 158 16.496 5.751 36.415 1.00 31.23 C ATOM 924 OG1 THR A 158 15.250 6.333 36.811 1.00 30.96 O ATOM 925 CG2 THR A 158 16.673 4.394 37.109 1.00 30.98 C ATOM 0 H THR A 158 17.084 6.659 38.660 1.00 29.20 H new ATOM 0 HA THR A 158 18.523 6.364 36.523 1.00 29.50 H new ATOM 0 HB THR A 158 16.504 5.606 35.456 1.00 31.23 H new ATOM 0 HG1 THR A 158 14.657 5.739 36.832 1.00 30.96 H new ATOM 0 HG21 THR A 158 15.937 3.809 36.869 1.00 30.98 H new ATOM 0 HG22 THR A 158 17.510 3.993 36.827 1.00 30.98 H new ATOM 0 HG23 THR A 158 16.684 4.521 38.071 1.00 30.98 H new ATOM 926 N GLY A 159 16.936 9.038 36.598 1.00 26.41 N ATOM 927 CA GLY A 159 16.717 10.287 35.892 1.00 25.81 C ATOM 928 C GLY A 159 15.448 10.293 35.059 1.00 26.03 C ATOM 929 O GLY A 159 15.212 11.213 34.273 1.00 24.54 O ATOM 0 H GLY A 159 16.706 9.042 37.427 1.00 26.41 H new ATOM 0 HA2 GLY A 159 16.677 11.012 36.535 1.00 25.81 H new ATOM 0 HA3 GLY A 159 17.476 10.462 35.314 1.00 25.81 H new ATOM 930 N GLU A 160 14.629 9.260 35.215 1.00 25.53 N ATOM 931 CA GLU A 160 13.374 9.192 34.481 1.00 27.38 C ATOM 932 C GLU A 160 12.475 10.346 34.932 1.00 27.78 C ATOM 933 O GLU A 160 12.300 10.572 36.134 1.00 29.58 O ATOM 934 CB GLU A 160 12.666 7.859 34.742 1.00 27.12 C ATOM 935 CG GLU A 160 11.349 7.720 33.991 1.00 24.65 C ATOM 936 CD GLU A 160 10.485 6.598 34.499 1.00 23.86 C ATOM 937 OE1 GLU A 160 10.783 6.050 35.571 1.00 27.28 O ATOM 938 OE2 GLU A 160 9.489 6.267 33.834 1.00 30.32 O ATOM 0 H GLU A 160 14.780 8.593 35.737 1.00 25.53 H new ATOM 0 HA GLU A 160 13.558 9.260 33.531 1.00 27.38 H new ATOM 0 HB2 GLU A 160 13.255 7.132 34.487 1.00 27.12 H new ATOM 0 HB3 GLU A 160 12.500 7.769 35.693 1.00 27.12 H new ATOM 0 HG2 GLU A 160 10.857 8.553 34.058 1.00 24.65 H new ATOM 0 HG3 GLU A 160 11.535 7.575 33.050 1.00 24.65 H new ATOM 939 N LYS A 161 11.928 11.084 33.969 1.00 25.63 N ATOM 940 CA LYS A 161 11.054 12.209 34.265 1.00 24.00 C ATOM 941 C LYS A 161 9.889 12.194 33.288 1.00 24.09 C ATOM 942 O LYS A 161 9.951 12.839 32.239 1.00 24.03 O ATOM 943 CB LYS A 161 11.828 13.517 34.132 1.00 24.01 C ATOM 944 CG LYS A 161 12.981 13.660 35.104 1.00 23.69 C ATOM 945 CD LYS A 161 13.738 14.942 34.842 1.00 29.45 C ATOM 946 CE LYS A 161 14.846 15.164 35.860 1.00 30.93 C ATOM 947 NZ LYS A 161 15.442 16.511 35.656 1.00 33.04 N ATOM 0 H LYS A 161 12.054 10.945 33.130 1.00 25.63 H new ATOM 0 HA LYS A 161 10.721 12.137 35.173 1.00 24.00 H new ATOM 0 HB2 LYS A 161 12.171 13.587 33.227 1.00 24.01 H new ATOM 0 HB3 LYS A 161 11.215 14.258 34.262 1.00 24.01 H new ATOM 0 HG2 LYS A 161 12.646 13.656 36.014 1.00 23.69 H new ATOM 0 HG3 LYS A 161 13.579 12.901 35.018 1.00 23.69 H new ATOM 0 HD2 LYS A 161 14.119 14.916 33.950 1.00 29.45 H new ATOM 0 HD3 LYS A 161 13.123 15.691 34.866 1.00 29.45 H new ATOM 0 HE2 LYS A 161 14.492 15.089 36.760 1.00 30.93 H new ATOM 0 HE3 LYS A 161 15.527 14.480 35.765 1.00 30.93 H new ATOM 0 HZ1 LYS A 161 16.091 16.642 36.251 1.00 33.04 H new ATOM 0 HZ2 LYS A 161 15.779 16.565 34.834 1.00 33.04 H new ATOM 0 HZ3 LYS A 161 14.814 17.133 35.761 1.00 33.04 H new ATOM 948 N PRO A 162 8.804 11.455 33.628 1.00 25.05 N ATOM 949 CA PRO A 162 7.581 11.304 32.812 1.00 22.21 C ATOM 950 C PRO A 162 6.586 12.454 32.751 1.00 20.90 C ATOM 951 O PRO A 162 5.643 12.391 31.969 1.00 21.24 O ATOM 952 CB PRO A 162 6.880 10.072 33.403 1.00 22.10 C ATOM 953 CG PRO A 162 7.723 9.612 34.562 1.00 23.53 C ATOM 954 CD PRO A 162 8.726 10.683 34.882 1.00 22.39 C ATOM 0 HA PRO A 162 7.872 11.247 31.888 1.00 22.21 H new ATOM 0 HB2 PRO A 162 5.982 10.294 33.696 1.00 22.10 H new ATOM 0 HB3 PRO A 162 6.796 9.371 32.738 1.00 22.10 H new ATOM 0 HG2 PRO A 162 7.164 9.433 35.334 1.00 23.53 H new ATOM 0 HG3 PRO A 162 8.175 8.783 34.341 1.00 23.53 H new ATOM 0 HD2 PRO A 162 8.436 11.235 35.625 1.00 22.39 H new ATOM 0 HD3 PRO A 162 9.586 10.307 35.126 1.00 22.39 H new ATOM 955 N PHE A 163 6.787 13.500 33.547 1.00 22.10 N ATOM 956 CA PHE A 163 5.842 14.614 33.576 1.00 20.11 C ATOM 957 C PHE A 163 6.363 15.919 33.018 1.00 21.24 C ATOM 958 O PHE A 163 7.191 16.583 33.628 1.00 24.24 O ATOM 959 CB PHE A 163 5.305 14.795 34.997 1.00 19.92 C ATOM 960 CG PHE A 163 4.749 13.525 35.584 1.00 19.36 C ATOM 961 CD1 PHE A 163 3.514 13.034 35.171 1.00 20.05 C ATOM 962 CD2 PHE A 163 5.497 12.774 36.471 1.00 18.29 C ATOM 963 CE1 PHE A 163 3.043 11.814 35.627 1.00 16.16 C ATOM 964 CE2 PHE A 163 5.035 11.554 36.934 1.00 16.27 C ATOM 965 CZ PHE A 163 3.809 11.073 36.510 1.00 18.11 C ATOM 0 H PHE A 163 7.460 13.585 34.076 1.00 22.10 H new ATOM 0 HA PHE A 163 5.125 14.369 32.971 1.00 20.11 H new ATOM 0 HB2 PHE A 163 6.018 15.123 35.567 1.00 19.92 H new ATOM 0 HB3 PHE A 163 4.611 15.473 34.991 1.00 19.92 H new ATOM 0 HD1 PHE A 163 2.997 13.533 34.580 1.00 20.05 H new ATOM 0 HD2 PHE A 163 6.321 13.092 36.761 1.00 18.29 H new ATOM 0 HE1 PHE A 163 2.217 11.495 35.342 1.00 16.16 H new ATOM 0 HE2 PHE A 163 5.549 11.058 37.530 1.00 16.27 H new ATOM 0 HZ PHE A 163 3.500 10.252 36.818 1.00 18.11 H new ATOM 966 N ALA A 164 5.825 16.310 31.869 1.00 22.68 N ATOM 967 CA ALA A 164 6.241 17.536 31.200 1.00 20.59 C ATOM 968 C ALA A 164 5.252 18.693 31.357 1.00 21.20 C ATOM 969 O ALA A 164 4.032 18.502 31.319 1.00 22.25 O ATOM 970 CB ALA A 164 6.500 17.258 29.731 1.00 14.57 C ATOM 0 H ALA A 164 5.210 15.873 31.456 1.00 22.68 H new ATOM 0 HA ALA A 164 7.058 17.824 31.636 1.00 20.59 H new ATOM 0 HB1 ALA A 164 6.776 18.077 29.290 1.00 14.57 H new ATOM 0 HB2 ALA A 164 7.201 16.593 29.646 1.00 14.57 H new ATOM 0 HB3 ALA A 164 5.688 16.926 29.316 1.00 14.57 H new ATOM 971 N CYS A 165 5.804 19.883 31.580 1.00 19.54 N ATOM 972 CA CYS A 165 5.032 21.104 31.732 1.00 19.85 C ATOM 973 C CYS A 165 4.384 21.445 30.399 1.00 20.96 C ATOM 974 O CYS A 165 5.046 21.429 29.368 1.00 21.34 O ATOM 975 CB CYS A 165 5.947 22.251 32.149 1.00 18.91 C ATOM 976 SG CYS A 165 5.148 23.859 32.178 1.00 21.74 S ATOM 0 H CYS A 165 6.653 20.001 31.648 1.00 19.54 H new ATOM 0 HA CYS A 165 4.354 20.974 32.413 1.00 19.85 H new ATOM 0 HB2 CYS A 165 6.303 22.062 33.031 1.00 18.91 H new ATOM 0 HB3 CYS A 165 6.701 22.287 31.540 1.00 18.91 H new ATOM 977 N ASP A 166 3.093 21.756 30.428 1.00 20.38 N ATOM 978 CA ASP A 166 2.353 22.094 29.221 1.00 20.80 C ATOM 979 C ASP A 166 2.771 23.405 28.571 1.00 21.74 C ATOM 980 O ASP A 166 2.582 23.587 27.368 1.00 23.54 O ATOM 981 CB ASP A 166 0.857 22.147 29.519 1.00 20.53 C ATOM 982 CG ASP A 166 0.240 20.771 29.678 1.00 20.37 C ATOM 983 OD1 ASP A 166 0.669 19.826 28.991 1.00 20.67 O ATOM 984 OD2 ASP A 166 -0.704 20.638 30.476 1.00 21.19 O ATOM 0 H ASP A 166 2.623 21.777 31.148 1.00 20.38 H new ATOM 0 HA ASP A 166 2.562 21.390 28.587 1.00 20.80 H new ATOM 0 HB2 ASP A 166 0.711 22.658 30.330 1.00 20.53 H new ATOM 0 HB3 ASP A 166 0.405 22.619 28.802 1.00 20.53 H new ATOM 985 N ILE A 167 3.329 24.320 29.358 1.00 22.22 N ATOM 986 CA ILE A 167 3.744 25.617 28.828 1.00 20.32 C ATOM 987 C ILE A 167 5.153 25.650 28.233 1.00 22.19 C ATOM 988 O ILE A 167 5.340 26.070 27.090 1.00 22.48 O ATOM 989 CB ILE A 167 3.642 26.725 29.903 1.00 20.13 C ATOM 990 CG1 ILE A 167 2.223 26.794 30.478 1.00 17.16 C ATOM 991 CG2 ILE A 167 4.068 28.072 29.316 1.00 20.32 C ATOM 992 CD1 ILE A 167 1.143 27.094 29.442 1.00 20.47 C ATOM 0 H ILE A 167 3.476 24.211 30.198 1.00 22.22 H new ATOM 0 HA ILE A 167 3.123 25.780 28.101 1.00 20.32 H new ATOM 0 HB ILE A 167 4.244 26.508 30.632 1.00 20.13 H new ATOM 0 HG12 ILE A 167 2.018 25.950 30.909 1.00 17.16 H new ATOM 0 HG13 ILE A 167 2.196 27.478 31.166 1.00 17.16 H new ATOM 0 HG21 ILE A 167 4.000 28.758 29.998 1.00 20.32 H new ATOM 0 HG22 ILE A 167 4.985 28.014 29.006 1.00 20.32 H new ATOM 0 HG23 ILE A 167 3.489 28.298 28.571 1.00 20.32 H new ATOM 0 HD11 ILE A 167 0.276 27.122 29.877 1.00 20.47 H new ATOM 0 HD12 ILE A 167 1.323 27.951 29.025 1.00 20.47 H new ATOM 0 HD13 ILE A 167 1.142 26.400 28.765 1.00 20.47 H new ATOM 993 N CYS A 168 6.140 25.190 28.995 1.00 22.81 N ATOM 994 CA CYS A 168 7.526 25.230 28.541 1.00 20.26 C ATOM 995 C CYS A 168 8.126 23.881 28.233 1.00 19.99 C ATOM 996 O CYS A 168 9.248 23.803 27.741 1.00 18.92 O ATOM 997 CB CYS A 168 8.401 25.915 29.583 1.00 19.71 C ATOM 998 SG CYS A 168 8.846 24.859 30.966 1.00 23.10 S ATOM 0 H CYS A 168 6.029 24.851 29.777 1.00 22.81 H new ATOM 0 HA CYS A 168 7.503 25.727 27.708 1.00 20.26 H new ATOM 0 HB2 CYS A 168 9.212 26.231 29.155 1.00 19.71 H new ATOM 0 HB3 CYS A 168 7.936 26.696 29.920 1.00 19.71 H new ATOM 999 N GLY A 169 7.403 22.821 28.563 1.00 19.22 N ATOM 1000 CA GLY A 169 7.910 21.490 28.302 1.00 20.54 C ATOM 1001 C GLY A 169 8.934 20.938 29.284 1.00 22.68 C ATOM 1002 O GLY A 169 9.473 19.860 29.044 1.00 22.34 O ATOM 0 H GLY A 169 6.628 22.852 28.934 1.00 19.22 H new ATOM 0 HA2 GLY A 169 7.157 20.880 28.277 1.00 20.54 H new ATOM 0 HA3 GLY A 169 8.308 21.487 27.417 1.00 20.54 H new ATOM 1003 N ARG A 170 9.209 21.639 30.383 1.00 23.14 N ATOM 1004 CA ARG A 170 10.182 21.145 31.358 1.00 22.87 C ATOM 1005 C ARG A 170 9.690 19.855 32.026 1.00 24.07 C ATOM 1006 O ARG A 170 8.545 19.782 32.481 1.00 25.86 O ATOM 1007 CB ARG A 170 10.471 22.205 32.407 1.00 21.89 C ATOM 1008 CG ARG A 170 11.517 21.765 33.388 1.00 25.15 C ATOM 1009 CD ARG A 170 11.912 22.866 34.329 1.00 28.49 C ATOM 1010 NE ARG A 170 12.968 22.392 35.212 1.00 37.37 N ATOM 1011 CZ ARG A 170 13.723 23.172 35.979 1.00 39.55 C ATOM 1012 NH1 ARG A 170 13.540 24.483 35.983 1.00 40.43 N ATOM 1013 NH2 ARG A 170 14.689 22.635 36.720 1.00 40.47 N ATOM 0 H ARG A 170 8.848 22.394 30.582 1.00 23.14 H new ATOM 0 HA ARG A 170 11.004 20.944 30.883 1.00 22.87 H new ATOM 0 HB2 ARG A 170 10.764 23.019 31.969 1.00 21.89 H new ATOM 0 HB3 ARG A 170 9.653 22.417 32.883 1.00 21.89 H new ATOM 0 HG2 ARG A 170 11.183 21.011 33.898 1.00 25.15 H new ATOM 0 HG3 ARG A 170 12.301 21.457 32.906 1.00 25.15 H new ATOM 0 HD2 ARG A 170 12.218 23.639 33.829 1.00 28.49 H new ATOM 0 HD3 ARG A 170 11.145 23.151 34.850 1.00 28.49 H new ATOM 0 HE ARG A 170 13.114 21.545 35.239 1.00 37.37 H new ATOM 0 HH11 ARG A 170 12.930 24.834 35.488 1.00 40.43 H new ATOM 0 HH12 ARG A 170 14.031 24.984 36.481 1.00 40.43 H new ATOM 0 HH21 ARG A 170 14.823 21.786 36.702 1.00 40.47 H new ATOM 0 HH22 ARG A 170 15.179 23.137 37.217 1.00 40.47 H new ATOM 1014 N LYS A 171 10.568 18.856 32.118 1.00 23.69 N ATOM 1015 CA LYS A 171 10.202 17.560 32.690 1.00 22.22 C ATOM 1016 C LYS A 171 10.454 17.340 34.177 1.00 21.36 C ATOM 1017 O LYS A 171 11.404 17.862 34.743 1.00 20.40 O ATOM 1018 CB LYS A 171 10.841 16.444 31.878 1.00 25.34 C ATOM 1019 CG LYS A 171 10.434 16.470 30.417 1.00 26.16 C ATOM 1020 CD LYS A 171 11.167 15.416 29.622 1.00 32.10 C ATOM 1021 CE LYS A 171 10.196 14.416 29.038 1.00 38.99 C ATOM 1022 NZ LYS A 171 10.920 13.393 28.238 1.00 42.78 N ATOM 0 H LYS A 171 11.385 18.909 31.853 1.00 23.69 H new ATOM 0 HA LYS A 171 9.234 17.551 32.631 1.00 22.22 H new ATOM 0 HB2 LYS A 171 11.806 16.516 31.941 1.00 25.34 H new ATOM 0 HB3 LYS A 171 10.594 15.588 32.263 1.00 25.34 H new ATOM 0 HG2 LYS A 171 9.478 16.326 30.343 1.00 26.16 H new ATOM 0 HG3 LYS A 171 10.619 17.346 30.044 1.00 26.16 H new ATOM 0 HD2 LYS A 171 11.674 15.836 28.909 1.00 32.10 H new ATOM 0 HD3 LYS A 171 11.805 14.959 30.192 1.00 32.10 H new ATOM 0 HE2 LYS A 171 9.699 13.985 29.751 1.00 38.99 H new ATOM 0 HE3 LYS A 171 9.549 14.874 28.478 1.00 38.99 H new ATOM 0 HZ1 LYS A 171 10.336 12.812 27.901 1.00 42.78 H new ATOM 0 HZ2 LYS A 171 11.359 13.791 27.574 1.00 42.78 H new ATOM 0 HZ3 LYS A 171 11.499 12.963 28.760 1.00 42.78 H new ATOM 1023 N PHE A 172 9.600 16.518 34.783 1.00 21.75 N ATOM 1024 CA PHE A 172 9.655 16.200 36.205 1.00 18.14 C ATOM 1025 C PHE A 172 9.410 14.725 36.504 1.00 19.07 C ATOM 1026 O PHE A 172 8.705 14.030 35.772 1.00 19.51 O ATOM 1027 CB PHE A 172 8.631 17.044 36.941 1.00 16.36 C ATOM 1028 CG PHE A 172 8.894 18.512 36.839 1.00 16.61 C ATOM 1029 CD1 PHE A 172 9.725 19.145 37.758 1.00 17.02 C ATOM 1030 CD2 PHE A 172 8.340 19.260 35.812 1.00 17.37 C ATOM 1031 CE1 PHE A 172 10.001 20.491 37.656 1.00 12.02 C ATOM 1032 CE2 PHE A 172 8.613 20.608 35.708 1.00 12.47 C ATOM 1033 CZ PHE A 172 9.450 21.220 36.636 1.00 13.19 C ATOM 0 H PHE A 172 8.959 16.122 34.368 1.00 21.75 H new ATOM 0 HA PHE A 172 10.555 16.399 36.508 1.00 18.14 H new ATOM 0 HB2 PHE A 172 7.749 16.854 36.586 1.00 16.36 H new ATOM 0 HB3 PHE A 172 8.621 16.787 37.876 1.00 16.36 H new ATOM 0 HD1 PHE A 172 10.100 18.652 38.452 1.00 17.02 H new ATOM 0 HD2 PHE A 172 7.782 18.851 35.190 1.00 17.37 H new ATOM 0 HE1 PHE A 172 10.558 20.902 38.276 1.00 12.02 H new ATOM 0 HE2 PHE A 172 8.238 21.107 35.019 1.00 12.47 H new ATOM 0 HZ PHE A 172 9.636 22.128 36.563 1.00 13.19 H new ATOM 1034 N ALA A 173 9.995 14.261 37.601 1.00 20.53 N ATOM 1035 CA ALA A 173 9.877 12.869 38.035 1.00 19.77 C ATOM 1036 C ALA A 173 8.537 12.578 38.682 1.00 19.24 C ATOM 1037 O ALA A 173 8.095 11.427 38.725 1.00 22.88 O ATOM 1038 CB ALA A 173 11.006 12.536 39.016 1.00 15.12 C ATOM 0 H ALA A 173 10.477 14.748 38.121 1.00 20.53 H new ATOM 0 HA ALA A 173 9.945 12.312 37.244 1.00 19.77 H new ATOM 0 HB1 ALA A 173 10.925 11.613 39.302 1.00 15.12 H new ATOM 0 HB2 ALA A 173 11.863 12.665 38.580 1.00 15.12 H new ATOM 0 HB3 ALA A 173 10.946 13.119 39.789 1.00 15.12 H new ATOM 1039 N ARG A 174 7.912 13.626 39.209 1.00 19.65 N ATOM 1040 CA ARG A 174 6.627 13.513 39.884 1.00 20.13 C ATOM 1041 C ARG A 174 5.665 14.524 39.307 1.00 20.94 C ATOM 1042 O ARG A 174 6.069 15.591 38.857 1.00 21.50 O ATOM 1043 CB ARG A 174 6.788 13.767 41.389 1.00 16.54 C ATOM 1044 CG ARG A 174 7.782 12.850 42.075 1.00 14.42 C ATOM 1045 CD ARG A 174 7.429 12.621 43.528 1.00 17.60 C ATOM 1046 NE ARG A 174 7.186 13.864 44.256 1.00 14.79 N ATOM 1047 CZ ARG A 174 7.739 14.159 45.423 1.00 13.23 C ATOM 1048 NH1 ARG A 174 8.575 13.308 45.997 1.00 16.39 N ATOM 1049 NH2 ARG A 174 7.420 15.285 46.042 1.00 15.19 N ATOM 0 H ARG A 174 8.225 14.427 39.184 1.00 19.65 H new ATOM 0 HA ARG A 174 6.282 12.616 39.751 1.00 20.13 H new ATOM 0 HB2 ARG A 174 7.067 14.686 41.523 1.00 16.54 H new ATOM 0 HB3 ARG A 174 5.923 13.667 41.817 1.00 16.54 H new ATOM 0 HG2 ARG A 174 7.809 11.999 41.611 1.00 14.42 H new ATOM 0 HG3 ARG A 174 8.671 13.234 42.015 1.00 14.42 H new ATOM 0 HD2 ARG A 174 6.638 12.061 43.580 1.00 17.60 H new ATOM 0 HD3 ARG A 174 8.150 12.135 43.959 1.00 17.60 H new ATOM 0 HE ARG A 174 6.651 14.439 43.906 1.00 14.79 H new ATOM 0 HH11 ARG A 174 8.760 12.562 45.612 1.00 16.39 H new ATOM 0 HH12 ARG A 174 8.933 13.502 46.755 1.00 16.39 H new ATOM 0 HH21 ARG A 174 6.853 15.825 45.686 1.00 15.19 H new ATOM 0 HH22 ARG A 174 7.779 15.476 46.800 1.00 15.19 H new ATOM 1050 N SER A 175 4.385 14.181 39.315 1.00 22.87 N ATOM 1051 CA SER A 175 3.368 15.076 38.798 1.00 24.65 C ATOM 1052 C SER A 175 3.201 16.301 39.703 1.00 24.65 C ATOM 1053 O SER A 175 2.897 17.386 39.214 1.00 23.22 O ATOM 1054 CB SER A 175 2.044 14.330 38.632 1.00 25.77 C ATOM 1055 OG SER A 175 1.669 13.687 39.836 1.00 29.09 O ATOM 0 H SER A 175 4.086 13.433 39.616 1.00 22.87 H new ATOM 0 HA SER A 175 3.652 15.394 37.927 1.00 24.65 H new ATOM 0 HB2 SER A 175 1.350 14.952 38.364 1.00 25.77 H new ATOM 0 HB3 SER A 175 2.126 13.673 37.923 1.00 25.77 H new ATOM 0 HG SER A 175 0.933 13.298 39.728 1.00 29.09 H new ATOM 1056 N ASP A 176 3.442 16.144 41.007 1.00 25.44 N ATOM 1057 CA ASP A 176 3.310 17.273 41.935 1.00 25.49 C ATOM 1058 C ASP A 176 4.422 18.296 41.750 1.00 23.92 C ATOM 1059 O ASP A 176 4.225 19.487 41.997 1.00 25.00 O ATOM 1060 CB ASP A 176 3.191 16.819 43.404 1.00 24.37 C ATOM 1061 CG ASP A 176 4.355 15.983 43.860 1.00 25.54 C ATOM 1062 OD1 ASP A 176 4.532 14.868 43.329 1.00 25.90 O ATOM 1063 OD2 ASP A 176 5.083 16.430 44.771 1.00 26.03 O ATOM 0 H ASP A 176 3.680 15.402 41.372 1.00 25.44 H new ATOM 0 HA ASP A 176 2.475 17.713 41.712 1.00 25.49 H new ATOM 0 HB2 ASP A 176 3.119 17.601 43.974 1.00 24.37 H new ATOM 0 HB3 ASP A 176 2.372 16.311 43.514 1.00 24.37 H new ATOM 1064 N GLU A 177 5.590 17.834 41.317 1.00 21.63 N ATOM 1065 CA GLU A 177 6.695 18.746 41.054 1.00 21.69 C ATOM 1066 C GLU A 177 6.307 19.569 39.843 1.00 20.94 C ATOM 1067 O GLU A 177 6.567 20.769 39.789 1.00 23.98 O ATOM 1068 CB GLU A 177 7.979 17.978 40.772 1.00 21.81 C ATOM 1069 CG GLU A 177 8.523 17.284 41.994 1.00 28.56 C ATOM 1070 CD GLU A 177 9.693 16.373 41.691 1.00 31.77 C ATOM 1071 OE1 GLU A 177 9.725 15.773 40.596 1.00 33.11 O ATOM 1072 OE2 GLU A 177 10.576 16.240 42.566 1.00 34.96 O ATOM 0 H GLU A 177 5.762 17.004 41.170 1.00 21.63 H new ATOM 0 HA GLU A 177 6.860 19.310 41.826 1.00 21.69 H new ATOM 0 HB2 GLU A 177 7.812 17.320 40.079 1.00 21.81 H new ATOM 0 HB3 GLU A 177 8.648 18.590 40.428 1.00 21.81 H new ATOM 0 HG2 GLU A 177 8.799 17.951 42.642 1.00 28.56 H new ATOM 0 HG3 GLU A 177 7.815 16.765 42.406 1.00 28.56 H new ATOM 1073 N ARG A 178 5.663 18.914 38.879 1.00 20.71 N ATOM 1074 CA ARG A 178 5.205 19.579 37.664 1.00 22.06 C ATOM 1075 C ARG A 178 4.071 20.547 38.009 1.00 23.12 C ATOM 1076 O ARG A 178 4.030 21.665 37.500 1.00 22.77 O ATOM 1077 CB ARG A 178 4.714 18.556 36.636 1.00 20.94 C ATOM 1078 CG ARG A 178 4.559 19.126 35.226 1.00 24.65 C ATOM 1079 CD ARG A 178 3.162 18.924 34.636 1.00 26.08 C ATOM 1080 NE ARG A 178 2.767 17.521 34.554 1.00 28.98 N ATOM 1081 CZ ARG A 178 1.759 16.985 35.235 1.00 33.76 C ATOM 1082 NH1 ARG A 178 1.028 17.730 36.057 1.00 35.38 N ATOM 1083 NH2 ARG A 178 1.503 15.688 35.129 1.00 35.99 N ATOM 0 H ARG A 178 5.480 18.074 38.912 1.00 20.71 H new ATOM 0 HA ARG A 178 5.949 20.068 37.279 1.00 22.06 H new ATOM 0 HB2 ARG A 178 5.336 17.813 36.609 1.00 20.94 H new ATOM 0 HB3 ARG A 178 3.860 18.200 36.928 1.00 20.94 H new ATOM 0 HG2 ARG A 178 4.760 20.075 35.245 1.00 24.65 H new ATOM 0 HG3 ARG A 178 5.212 18.709 34.643 1.00 24.65 H new ATOM 0 HD2 ARG A 178 2.516 19.404 35.178 1.00 26.08 H new ATOM 0 HD3 ARG A 178 3.133 19.314 33.748 1.00 26.08 H new ATOM 0 HE ARG A 178 3.216 17.007 34.031 1.00 28.98 H new ATOM 0 HH11 ARG A 178 1.205 18.566 36.152 1.00 35.38 H new ATOM 0 HH12 ARG A 178 0.377 17.376 36.494 1.00 35.38 H new ATOM 0 HH21 ARG A 178 1.989 15.194 34.620 1.00 35.99 H new ATOM 0 HH22 ARG A 178 0.851 15.341 35.569 1.00 35.99 H new ATOM 1084 N LYS A 179 3.162 20.117 38.886 1.00 22.12 N ATOM 1085 CA LYS A 179 2.038 20.955 39.285 1.00 22.37 C ATOM 1086 C LYS A 179 2.535 22.223 39.954 1.00 22.75 C ATOM 1087 O LYS A 179 2.053 23.313 39.656 1.00 21.79 O ATOM 1088 CB LYS A 179 1.082 20.202 40.219 1.00 21.50 C ATOM 1089 CG LYS A 179 0.080 21.136 40.887 1.00 24.34 C ATOM 1090 CD LYS A 179 -0.876 20.428 41.802 1.00 24.42 C ATOM 1091 CE LYS A 179 -1.896 19.641 41.017 1.00 27.71 C ATOM 1092 NZ LYS A 179 -2.904 19.034 41.927 1.00 28.04 N ATOM 0 H LYS A 179 3.181 19.343 39.260 1.00 22.12 H new ATOM 0 HA LYS A 179 1.547 21.193 38.483 1.00 22.37 H new ATOM 0 HB2 LYS A 179 0.605 19.525 39.714 1.00 21.50 H new ATOM 0 HB3 LYS A 179 1.595 19.739 40.900 1.00 21.50 H new ATOM 0 HG2 LYS A 179 0.562 21.809 41.392 1.00 24.34 H new ATOM 0 HG3 LYS A 179 -0.424 21.602 40.202 1.00 24.34 H new ATOM 0 HD2 LYS A 179 -0.385 19.832 42.389 1.00 24.42 H new ATOM 0 HD3 LYS A 179 -1.327 21.075 42.367 1.00 24.42 H new ATOM 0 HE2 LYS A 179 -2.338 20.222 40.378 1.00 27.71 H new ATOM 0 HE3 LYS A 179 -1.452 18.945 40.508 1.00 27.71 H new ATOM 0 HZ1 LYS A 179 -3.408 18.460 41.471 1.00 28.04 H new ATOM 0 HZ2 LYS A 179 -2.488 18.604 42.586 1.00 28.04 H new ATOM 0 HZ3 LYS A 179 -3.419 19.674 42.269 1.00 28.04 H new ATOM 1093 N ARG A 180 3.518 22.070 40.842 1.00 23.97 N ATOM 1094 CA ARG A 180 4.107 23.195 41.567 1.00 23.29 C ATOM 1095 C ARG A 180 4.883 24.118 40.621 1.00 23.77 C ATOM 1096 O ARG A 180 4.988 25.321 40.856 1.00 25.00 O ATOM 1097 CB ARG A 180 5.036 22.671 42.663 1.00 23.01 C ATOM 1098 CG ARG A 180 5.686 23.752 43.496 1.00 19.76 C ATOM 1099 CD ARG A 180 6.603 23.178 44.546 1.00 17.08 C ATOM 1100 NE ARG A 180 7.755 22.485 43.972 1.00 17.26 N ATOM 1101 CZ ARG A 180 8.704 21.906 44.701 1.00 15.74 C ATOM 1102 NH1 ARG A 180 8.634 21.940 46.023 1.00 16.61 N ATOM 1103 NH2 ARG A 180 9.728 21.308 44.117 1.00 17.39 N ATOM 0 H ARG A 180 3.863 21.308 41.041 1.00 23.97 H new ATOM 0 HA ARG A 180 3.389 23.710 41.967 1.00 23.29 H new ATOM 0 HB2 ARG A 180 4.530 22.086 43.249 1.00 23.01 H new ATOM 0 HB3 ARG A 180 5.730 22.131 42.253 1.00 23.01 H new ATOM 0 HG2 ARG A 180 6.189 24.347 42.918 1.00 19.76 H new ATOM 0 HG3 ARG A 180 4.999 24.287 43.924 1.00 19.76 H new ATOM 0 HD2 ARG A 180 6.915 23.893 45.123 1.00 17.08 H new ATOM 0 HD3 ARG A 180 6.104 22.561 45.103 1.00 17.08 H new ATOM 0 HE ARG A 180 7.823 22.450 43.115 1.00 17.26 H new ATOM 0 HH11 ARG A 180 7.975 22.336 46.409 1.00 16.61 H new ATOM 0 HH12 ARG A 180 9.247 21.566 46.496 1.00 16.61 H new ATOM 0 HH21 ARG A 180 9.784 21.291 43.259 1.00 17.39 H new ATOM 0 HH22 ARG A 180 10.338 20.936 44.595 1.00 17.39 H new ATOM 1104 N HIS A 181 5.434 23.546 39.557 1.00 20.89 N ATOM 1105 CA HIS A 181 6.186 24.319 38.584 1.00 18.55 C ATOM 1106 C HIS A 181 5.297 25.106 37.629 1.00 17.72 C ATOM 1107 O HIS A 181 5.509 26.293 37.414 1.00 17.74 O ATOM 1108 CB HIS A 181 7.102 23.396 37.787 1.00 17.73 C ATOM 1109 CG HIS A 181 7.545 23.967 36.477 1.00 15.80 C ATOM 1110 ND1 HIS A 181 8.641 24.788 36.357 1.00 15.16 N ATOM 1111 CD2 HIS A 181 7.013 23.866 35.237 1.00 15.84 C ATOM 1112 CE1 HIS A 181 8.764 25.176 35.102 1.00 14.83 C ATOM 1113 NE2 HIS A 181 7.787 24.631 34.400 1.00 12.96 N ATOM 0 H HIS A 181 5.382 22.706 39.381 1.00 20.89 H new ATOM 0 HA HIS A 181 6.708 24.966 39.084 1.00 18.55 H new ATOM 0 HB2 HIS A 181 7.885 23.191 38.322 1.00 17.73 H new ATOM 0 HB3 HIS A 181 6.641 22.558 37.625 1.00 17.73 H new ATOM 0 HD1 HIS A 181 9.165 25.014 37.000 1.00 15.16 H new ATOM 0 HD2 HIS A 181 6.263 23.371 34.997 1.00 15.84 H new ATOM 0 HE1 HIS A 181 9.426 25.738 34.768 1.00 14.83 H new ATOM 1114 N THR A 182 4.288 24.451 37.074 1.00 17.42 N ATOM 1115 CA THR A 182 3.415 25.097 36.104 1.00 20.41 C ATOM 1116 C THR A 182 2.927 26.502 36.466 1.00 22.50 C ATOM 1117 O THR A 182 2.833 27.363 35.584 1.00 24.10 O ATOM 1118 CB THR A 182 2.202 24.218 35.743 1.00 18.77 C ATOM 1119 OG1 THR A 182 2.647 22.911 35.361 1.00 19.19 O ATOM 1120 CG2 THR A 182 1.441 24.825 34.575 1.00 14.76 C ATOM 0 H THR A 182 4.091 23.632 37.245 1.00 17.42 H new ATOM 0 HA THR A 182 3.997 25.208 35.336 1.00 20.41 H new ATOM 0 HB THR A 182 1.623 24.162 36.519 1.00 18.77 H new ATOM 0 HG1 THR A 182 2.933 22.503 36.038 1.00 19.19 H new ATOM 0 HG21 THR A 182 0.681 24.264 34.357 1.00 14.76 H new ATOM 0 HG22 THR A 182 1.129 25.711 34.817 1.00 14.76 H new ATOM 0 HG23 THR A 182 2.027 24.888 33.805 1.00 14.76 H new ATOM 1121 N LYS A 183 2.676 26.752 37.751 1.00 21.75 N ATOM 1122 CA LYS A 183 2.186 28.056 38.188 1.00 21.27 C ATOM 1123 C LYS A 183 3.174 29.204 38.095 1.00 21.07 C ATOM 1124 O LYS A 183 2.779 30.353 38.256 1.00 23.45 O ATOM 1125 CB LYS A 183 1.596 27.983 39.599 1.00 22.62 C ATOM 1126 CG LYS A 183 2.598 27.613 40.665 1.00 31.77 C ATOM 1127 CD LYS A 183 1.970 27.530 42.051 1.00 36.65 C ATOM 1128 CE LYS A 183 3.020 27.150 43.092 1.00 39.22 C ATOM 1129 NZ LYS A 183 2.413 26.880 44.425 1.00 42.67 N ATOM 0 H LYS A 183 2.783 26.180 38.384 1.00 21.75 H new ATOM 0 HA LYS A 183 1.494 28.268 37.542 1.00 21.27 H new ATOM 0 HB2 LYS A 183 1.204 28.842 39.821 1.00 22.62 H new ATOM 0 HB3 LYS A 183 0.876 27.333 39.605 1.00 22.62 H new ATOM 0 HG2 LYS A 183 3.001 26.759 40.444 1.00 31.77 H new ATOM 0 HG3 LYS A 183 3.312 28.269 40.675 1.00 31.77 H new ATOM 0 HD2 LYS A 183 1.571 28.383 42.283 1.00 36.65 H new ATOM 0 HD3 LYS A 183 1.256 26.874 42.050 1.00 36.65 H new ATOM 0 HE2 LYS A 183 3.502 26.363 42.792 1.00 39.22 H new ATOM 0 HE3 LYS A 183 3.669 27.867 43.172 1.00 39.22 H new ATOM 0 HZ1 LYS A 183 3.053 26.662 45.004 1.00 42.67 H new ATOM 0 HZ2 LYS A 183 1.989 27.608 44.711 1.00 42.67 H new ATOM 0 HZ3 LYS A 183 1.834 26.208 44.357 1.00 42.67 H new ATOM 1130 N ILE A 184 4.450 28.925 37.845 1.00 19.97 N ATOM 1131 CA ILE A 184 5.407 30.021 37.733 1.00 22.20 C ATOM 1132 C ILE A 184 5.195 30.797 36.433 1.00 21.93 C ATOM 1133 O ILE A 184 5.672 31.920 36.295 1.00 26.13 O ATOM 1134 CB ILE A 184 6.893 29.568 37.841 1.00 21.81 C ATOM 1135 CG1 ILE A 184 7.310 28.766 36.603 1.00 22.54 C ATOM 1136 CG2 ILE A 184 7.111 28.792 39.134 1.00 19.87 C ATOM 1137 CD1 ILE A 184 8.799 28.531 36.495 1.00 18.93 C ATOM 0 H ILE A 184 4.774 28.136 37.740 1.00 19.97 H new ATOM 0 HA ILE A 184 5.234 30.598 38.493 1.00 22.20 H new ATOM 0 HB ILE A 184 7.463 30.352 37.871 1.00 21.81 H new ATOM 0 HG12 ILE A 184 6.857 27.908 36.617 1.00 22.54 H new ATOM 0 HG13 ILE A 184 7.007 29.234 35.809 1.00 22.54 H new ATOM 0 HG21 ILE A 184 8.039 28.514 39.192 1.00 19.87 H new ATOM 0 HG22 ILE A 184 6.895 29.358 39.892 1.00 19.87 H new ATOM 0 HG23 ILE A 184 6.538 28.009 39.142 1.00 19.87 H new ATOM 0 HD11 ILE A 184 8.989 28.020 35.693 1.00 18.93 H new ATOM 0 HD12 ILE A 184 9.259 29.384 36.451 1.00 18.93 H new ATOM 0 HD13 ILE A 184 9.106 28.038 37.272 1.00 18.93 H new ATOM 1138 N HIS A 185 4.427 30.224 35.512 1.00 22.03 N ATOM 1139 CA HIS A 185 4.141 30.861 34.227 1.00 23.83 C ATOM 1140 C HIS A 185 3.024 31.906 34.272 1.00 26.05 C ATOM 1141 O HIS A 185 2.771 32.606 33.284 1.00 26.66 O ATOM 1142 CB HIS A 185 3.794 29.792 33.177 1.00 21.18 C ATOM 1143 CG HIS A 185 4.881 28.785 32.933 1.00 21.04 C ATOM 1144 ND1 HIS A 185 6.115 29.126 32.421 1.00 21.55 N ATOM 1145 CD2 HIS A 185 4.907 27.440 33.105 1.00 21.31 C ATOM 1146 CE1 HIS A 185 6.853 28.039 32.285 1.00 19.54 C ATOM 1147 NE2 HIS A 185 6.144 27.002 32.692 1.00 19.12 N ATOM 0 H HIS A 185 4.056 29.455 35.613 1.00 22.03 H new ATOM 0 HA HIS A 185 4.951 31.338 33.987 1.00 23.83 H new ATOM 0 HB2 HIS A 185 2.993 29.324 33.460 1.00 21.18 H new ATOM 0 HB3 HIS A 185 3.583 30.234 32.339 1.00 21.18 H new ATOM 0 HD1 HIS A 185 6.366 29.924 32.221 1.00 21.55 H new ATOM 0 HD2 HIS A 185 4.218 26.913 33.439 1.00 21.31 H new ATOM 0 HE1 HIS A 185 7.723 28.009 31.958 1.00 19.54 H new ATOM 1148 N LEU A 186 2.386 32.023 35.424 1.00 28.96 N ATOM 1149 CA LEU A 186 1.302 32.956 35.577 1.00 33.30 C ATOM 1150 C LEU A 186 1.900 34.185 36.232 1.00 39.80 C ATOM 1151 O LEU A 186 2.927 34.043 36.929 1.00 47.35 O ATOM 1152 CB LEU A 186 0.273 32.398 36.584 1.00 29.30 C ATOM 1153 CG LEU A 186 -0.402 31.090 36.241 1.00 26.07 C ATOM 1154 CD1 LEU A 186 -1.258 30.716 37.410 1.00 29.26 C ATOM 1155 CD2 LEU A 186 -1.242 31.332 35.043 1.00 26.96 C ATOM 0 H LEU A 186 2.571 31.567 36.129 1.00 28.96 H new ATOM 0 HA LEU A 186 0.880 33.130 34.721 1.00 33.30 H new ATOM 0 HB2 LEU A 186 0.719 32.289 37.438 1.00 29.30 H new ATOM 0 HB3 LEU A 186 -0.418 33.068 36.708 1.00 29.30 H new ATOM 0 HG LEU A 186 0.231 30.378 36.058 1.00 26.07 H new ATOM 0 HD11 LEU A 186 -1.709 29.877 37.226 1.00 29.26 H new ATOM 0 HD12 LEU A 186 -0.703 30.617 38.199 1.00 29.26 H new ATOM 0 HD13 LEU A 186 -1.917 31.411 37.564 1.00 29.26 H new ATOM 0 HD21 LEU A 186 -1.693 30.511 34.792 1.00 26.96 H new ATOM 0 HD22 LEU A 186 -1.902 32.014 35.243 1.00 26.96 H new ATOM 0 HD23 LEU A 186 -0.682 31.630 34.309 1.00 26.96 H new ATOM 1156 N ARG A 187 1.281 35.343 35.950 1.00 42.99 N ATOM 1157 CA ARG A 187 1.645 36.575 36.702 1.00 46.00 C ATOM 1158 C ARG A 187 0.924 37.779 36.065 1.00 48.46 C ATOM 1159 O ARG A 187 -0.284 37.713 35.832 1.00 47.85 O ATOM 1160 CB ARG A 187 3.167 36.743 36.876 1.00 44.67 C ATOM 1161 CG ARG A 187 3.900 37.647 35.903 1.00 41.49 C ATOM 1162 CD ARG A 187 5.240 36.990 35.579 1.00 42.88 C ATOM 1163 NE ARG A 187 5.098 35.919 34.590 1.00 41.56 N ATOM 1164 CZ ARG A 187 6.057 35.052 34.270 1.00 40.77 C ATOM 1165 NH1 ARG A 187 7.244 35.110 34.861 1.00 39.83 N ATOM 1166 NH2 ARG A 187 5.844 34.149 33.325 1.00 40.45 N ATOM 0 H ARG A 187 0.671 35.443 35.353 1.00 42.99 H new ATOM 0 HA ARG A 187 1.332 36.504 37.617 1.00 46.00 H new ATOM 0 HB2 ARG A 187 3.328 37.078 37.772 1.00 44.67 H new ATOM 0 HB3 ARG A 187 3.571 35.863 36.825 1.00 44.67 H new ATOM 0 HG2 ARG A 187 3.378 37.772 35.095 1.00 41.49 H new ATOM 0 HG3 ARG A 187 4.037 38.525 36.291 1.00 41.49 H new ATOM 0 HD2 ARG A 187 5.856 37.660 35.243 1.00 42.88 H new ATOM 0 HD3 ARG A 187 5.628 36.630 36.392 1.00 42.88 H new ATOM 0 HE ARG A 187 4.342 35.845 34.187 1.00 41.56 H new ATOM 0 HH11 ARG A 187 7.399 35.711 35.456 1.00 39.83 H new ATOM 0 HH12 ARG A 187 7.858 34.546 34.649 1.00 39.83 H new ATOM 0 HH21 ARG A 187 5.087 34.123 32.918 1.00 40.45 H new ATOM 0 HH22 ARG A 187 6.463 33.589 33.118 1.00 40.45 H new TER 1167 ARG A 187 HETATM 1168 ZN ZN A 201 -0.655 7.045 65.279 1.00 38.93 ZN HETATM 1169 ZN ZN A 202 17.738 4.301 46.027 1.00 30.04 ZN HETATM 1170 ZN ZN A 203 6.921 25.199 32.497 1.00 25.46 ZN HETATM 1171 O HOH B 308 10.126 10.864 45.595 1.00 23.66 O HETATM 1172 O HOH B 309 9.420 7.985 51.423 1.00 17.73 O HETATM 1173 O HOH B 311 10.053 5.540 54.388 1.00 25.47 O HETATM 1174 O HOH B 313 11.031 7.551 57.578 1.00 37.83 O HETATM 1175 O HOH B 314 5.526 4.994 57.821 1.00 38.52 O HETATM 1176 O HOH B 316 2.068 6.642 54.947 1.00 31.36 O HETATM 1177 O HOH B 317 -0.651 7.443 56.154 1.00 50.69 O HETATM 1178 O HOH B 336 -4.294 14.217 51.467 1.00 33.24 O HETATM 1179 O HOH B 337 -7.703 11.213 47.757 1.00 29.97 O HETATM 1180 O HOH B 340 -7.073 3.064 41.046 1.00 34.20 O HETATM 1181 O HOH B 341 -5.755 -0.245 41.448 1.00 38.36 O HETATM 1182 O HOH B 342 -9.346 0.645 36.581 1.00 28.61 O HETATM 1183 O HOH B 343 -11.541 -3.152 38.667 1.00 25.71 O HETATM 1184 O HOH B 344 -13.009 -2.865 40.896 1.00 25.96 O HETATM 1185 O HOH B 345 -13.140 1.478 42.620 1.00 33.88 O HETATM 1186 O HOH B 349 5.294 11.749 45.847 1.00 26.87 O HETATM 1187 O HOH B 372 16.405 17.020 47.902 1.00 39.40 O HETATM 1188 O HOH B 374 4.944 13.825 55.161 1.00 29.50 O HETATM 1189 O HOH B 375 0.779 14.716 54.843 1.00 28.53 O HETATM 1190 O HOH B 379 6.716 18.911 44.459 1.00 21.13 O HETATM 1191 O HOH B 401 12.824 11.550 56.491 1.00 49.24 O HETATM 1192 O HOH C 319 -3.518 1.251 51.390 1.00 33.08 O HETATM 1193 O HOH C 320 -4.873 -1.305 51.820 1.00 38.00 O HETATM 1194 O HOH C 323 2.971 1.268 44.154 1.00 19.08 O HETATM 1195 O HOH C 326 2.016 -1.853 47.432 1.00 31.87 O HETATM 1196 O HOH C 338 -5.981 9.678 42.956 1.00 52.26 O HETATM 1197 O HOH C 339 -5.665 6.013 42.320 1.00 34.20 O HETATM 1198 O HOH C 371 13.557 16.330 53.146 1.00 53.87 O HETATM 1199 O HOH C 373 10.621 17.704 54.693 1.00 27.74 O HETATM 1200 O HOH C 376 5.682 22.990 50.706 1.00 34.53 O HETATM 1201 O HOH C 378 4.638 20.069 46.235 1.00 19.63 O HETATM 1202 O HOH C 383 -4.268 20.725 43.809 1.00 29.91 O HETATM 1203 O HOH C 386 -7.888 15.449 39.464 1.00 34.66 O HETATM 1204 O HOH C 394 0.736 18.574 44.969 1.00 36.82 O HETATM 1205 O HOH C 400 5.062 23.014 60.743 1.00 39.54 O HETATM 1206 O HOH A 301 2.967 18.659 28.456 1.00 25.99 O HETATM 1207 O HOH A 302 9.471 17.882 27.196 1.00 32.45 O HETATM 1208 O HOH A 303 13.374 18.942 31.007 1.00 23.09 O HETATM 1209 O HOH A 304 13.112 18.530 36.943 1.00 33.56 O HETATM 1210 O HOH A 305 12.076 16.163 38.777 1.00 26.61 O HETATM 1211 O HOH A 306 12.005 13.890 42.723 1.00 22.39 O HETATM 1212 O HOH A 307 11.211 11.369 43.195 1.00 19.97 O HETATM 1213 O HOH A 310 7.603 5.765 51.732 1.00 18.63 O HETATM 1214 O HOH A 312 8.619 6.452 56.714 1.00 33.43 O HETATM 1215 O HOH A 315 3.218 4.272 55.923 1.00 32.29 O HETATM 1216 O HOH A 318 -3.005 6.041 56.293 1.00 27.17 O HETATM 1217 O HOH A 321 2.991 0.462 49.983 1.00 33.14 O HETATM 1218 O HOH A 322 1.839 2.593 48.066 1.00 27.71 O HETATM 1219 O HOH A 324 4.464 2.701 42.236 1.00 18.68 O HETATM 1220 O HOH A 325 7.392 -0.024 44.466 1.00 30.91 O HETATM 1221 O HOH A 327 8.052 -5.780 50.500 1.00 40.15 O HETATM 1222 O HOH A 328 12.884 -3.179 53.058 1.00 32.22 O HETATM 1223 O HOH A 329 11.652 -2.303 58.093 1.00 51.69 O HETATM 1224 O HOH A 330 3.672 -1.989 61.010 1.00 31.28 O HETATM 1225 O HOH A 331 0.993 -2.315 59.559 1.00 29.32 O HETATM 1226 O HOH A 332 6.605 4.142 68.235 1.00 55.17 O HETATM 1227 O HOH A 333 3.122 9.369 68.670 1.00 52.85 O HETATM 1228 O HOH A 334 2.731 6.617 73.018 1.00 37.96 O HETATM 1229 O HOH A 335 -4.476 8.883 73.080 1.00 56.09 O HETATM 1230 O HOH A 346 2.579 7.935 42.506 1.00 26.66 O HETATM 1231 O HOH A 347 2.792 8.510 45.453 1.00 22.05 O HETATM 1232 O HOH A 348 5.633 9.140 45.708 1.00 21.67 O HETATM 1233 O HOH A 350 3.259 12.582 44.213 1.00 19.93 O HETATM 1234 O HOH A 351 4.067 11.518 40.221 1.00 20.21 O HETATM 1235 O HOH A 352 4.378 8.732 39.144 1.00 20.91 O HETATM 1236 O HOH A 353 8.836 4.725 37.095 1.00 32.70 O HETATM 1237 O HOH A 354 10.728 4.177 39.356 1.00 25.48 O HETATM 1238 O HOH A 355 12.961 4.946 37.069 1.00 26.72 O HETATM 1239 O HOH A 356 13.158 1.804 36.466 1.00 34.33 O HETATM 1240 O HOH A 357 12.978 0.177 39.173 1.00 38.59 O HETATM 1241 O HOH A 358 9.105 7.751 31.411 1.00 43.70 O HETATM 1242 O HOH A 359 12.891 10.591 30.919 1.00 27.82 O HETATM 1243 O HOH A 360 14.951 12.356 30.709 1.00 38.78 O HETATM 1244 O HOH A 361 17.204 12.933 33.204 1.00 53.57 O HETATM 1245 O HOH A 362 14.280 11.950 37.841 1.00 34.85 O HETATM 1246 O HOH A 363 18.656 12.931 40.684 1.00 40.16 O HETATM 1247 O HOH A 364 17.798 8.914 49.711 1.00 28.37 O HETATM 1248 O HOH A 365 19.660 6.294 48.847 1.00 42.38 O HETATM 1249 O HOH A 366 21.430 2.636 51.953 1.00 41.45 O HETATM 1250 O HOH A 367 17.368 2.939 54.996 1.00 35.27 O HETATM 1251 O HOH A 368 13.204 5.839 53.991 1.00 29.54 O HETATM 1252 O HOH A 369 15.412 10.956 55.307 1.00 32.74 O HETATM 1253 O HOH A 370 16.212 12.216 53.176 1.00 32.98 O HETATM 1254 O HOH A 377 6.864 22.235 47.870 1.00 19.33 O HETATM 1255 O HOH A 380 2.725 20.174 44.017 1.00 35.95 O HETATM 1256 O HOH A 381 1.668 22.785 43.840 1.00 32.37 O HETATM 1257 O HOH A 382 0.175 25.188 40.172 1.00 37.39 O HETATM 1258 O HOH A 384 -0.821 17.145 43.269 1.00 26.97 O HETATM 1259 O HOH A 385 0.155 15.946 41.165 1.00 23.27 O HETATM 1260 O HOH A 387 -1.946 21.433 33.330 1.00 23.13 O HETATM 1261 O HOH A 388 2.465 15.520 32.744 1.00 36.61 O HETATM 1262 O HOH A 389 4.227 14.297 30.393 1.00 32.02 O HETATM 1263 O HOH A 390 8.380 21.908 41.180 1.00 32.32 O HETATM 1264 O HOH A 391 10.949 20.710 41.167 1.00 25.99 O HETATM 1265 O HOH A 392 11.547 26.538 34.793 1.00 24.92 O HETATM 1266 O HOH A 393 -0.145 3.860 49.938 1.00 39.00 O HETATM 1267 O HOH A 395 6.922 31.884 32.004 1.00 22.16 O HETATM 1268 O HOH A 396 9.321 31.449 34.165 1.00 55.49 O HETATM 1269 O HOH A 397 5.118 33.917 38.602 1.00 30.57 O HETATM 1270 O HOH A 398 2.882 32.195 40.234 1.00 32.40 O HETATM 1271 O HOH A 399 1.438 34.452 32.187 1.00 34.54 O CONECT 488 1168 CONECT 523 1168 CONECT 647 1168 CONECT 684 1168 CONECT 746 1169 CONECT 771 1169 CONECT 882 1169 CONECT 918 1169 CONECT 976 1170 CONECT 998 1170 CONECT 1113 1170 CONECT 1147 1170 CONECT 1168 488 523 647 684 CONECT 1169 746 771 882 918 CONECT 1170 976 998 1113 1147 END