USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER TRANSCRIPTION/DNA 10-DEC-97 1A1J TITLE RADR (ZIF268 VARIANT) ZINC FINGER-DNA COMPLEX (GCGT SITE) COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*CP*GP*T)-3'); COMPND 3 CHAIN: B; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: DNA (5'-D(*TP*AP*CP*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 (RADR ZIF268 ZINC FINGER PEPTIDE); COMPND 1 CHAIN: A; COMPND 2 FRAGMENT: ZINC FINGER; COMPND 3 SYNONYM: RADR 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: PRADR KEYWDS ZINC FINGER-DNA COMPLEX, ZINC FINGER, DNA-BINDING PROTEIN, KEYWDS 2 TRANSCRIPTION/DNA COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR M.ELROD-ERICKSON,T.E.BENSON,C.O.PABO REVDAT 2 24-FEB-09 1A1J 1 VERSN REVDAT 1 17-JUN-98 1A1J 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. 2.00 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) : 2.00 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) (%) : 89.6 REMARK 3 NUMBER OF REFLECTIONS : 9959 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) : 0.210 REMARK 3 FREE R VALUE : 0.262 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.900 REMARK 3 FREE R VALUE TEST SET COUNT : 1094 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.008 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) : 2.00 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.09 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 83.60 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 1140 REMARK 3 BIN R VALUE (WORKING SET) : 0.2990 REMARK 3 BIN FREE R VALUE : 0.3140 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 10.80 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 123 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 : 712 REMARK 3 NUCLEIC ACID ATOMS : 445 REMARK 3 HETEROGEN ATOMS : 3 REMARK 3 SOLVENT ATOMS : 153 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 32.20 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 10.32000 REMARK 3 B22 (A**2) : 20.08000 REMARK 3 B33 (A**2) : 18.03000 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) : 0.008 REMARK 3 BOND ANGLES (DEGREES) : 1.30 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 23.20 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) : 0.705 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 1.152 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 1.199 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 1.945 ; 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 1A1J 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-DEC-95 REMARK 200 TEMPERATURE (KELVIN) : 130.00 REMARK 200 PH : 6.2 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RU200 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : NULL REMARK 200 MONOCHROMATOR : YALE MIRRORS REMARK 200 OPTICS : YALE MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IIC REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 9959 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.000 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 (%) : 89.6 REMARK 200 DATA REDUNDANCY : 3.000 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.03400 REMARK 200 FOR THE DATA SET : 39.5000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.00 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.07 REMARK 200 COMPLETENESS FOR SHELL (%) : 82.9 REMARK 200 DATA REDUNDANCY IN SHELL : 1.80 REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.05400 REMARK 200 FOR SHELL : 19.400 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 3350, 200MM NACL, 25 MM MES REMARK 280 PH 6.2, VAPOR DIFFUSION, HANGING DROP REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 2 2 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -X,Y,-Z+1/2 REMARK 290 4555 X,-Y,-Z REMARK 290 5555 X+1/2,Y+1/2,Z REMARK 290 6555 -X+1/2,-Y+1/2,Z+1/2 REMARK 290 7555 -X+1/2,Y+1/2,-Z+1/2 REMARK 290 8555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 66.80000 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 66.80000 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 21.15000 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 21.15000 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 27.95000 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 66.80000 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 21.15000 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 27.95000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 66.80000 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 21.15000 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 27.95000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: B, C, A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 MET A 101 REMARK 465 GLU A 102 REMARK 465 ARG A 187 REMARK 465 GLN A 188 REMARK 465 LYS A 189 REMARK 465 ASP A 190 REMARK 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 HIS A 125 NE2 REMARK 620 2 HIS A 129 NE2 107.5 REMARK 620 3 CYS A 107 SG 105.0 107.8 REMARK 620 4 CYS A 112 SG 105.9 119.2 110.5 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 118.7 REMARK 620 3 HIS A 153 NE2 119.3 98.9 REMARK 620 4 HIS A 157 NE2 113.8 114.3 87.0 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 168 SG REMARK 620 2 HIS A 181 NE2 103.7 REMARK 620 3 HIS A 185 NE2 124.3 106.3 REMARK 620 4 CYS A 165 SG 116.7 105.9 98.4 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 1A1J A 102 190 UNP P08046 EGR1_MOUSE 308 396 DBREF 1A1J B 1 11 PDB 1A1J 1A1J 1 11 DBREF 1A1J C 51 61 PDB 1A1J 1A1J 51 61 SEQADV 1A1J ALA A 120 UNP P08046 ASP 326 VARIANT SEQADV 1A1J ASP A 121 UNP P08046 GLU 327 VARIANT SEQRES 1 B 11 DA DG DC DG DT DG DG DG DC DG DT SEQRES 1 C 11 DT DA DC DG DC DC DC DA DC DG DC SEQRES 1 A 90 MET GLU ARG PRO TYR ALA CYS PRO VAL GLU SER CYS ASP SEQRES 2 A 90 ARG ARG PHE SER ARG SER ALA ASP LEU THR ARG HIS ILE SEQRES 3 A 90 ARG ILE HIS THR GLY GLN LYS PRO PHE GLN CYS ARG ILE SEQRES 4 A 90 CYS MET ARG ASN PHE SER ARG SER ASP HIS LEU THR THR SEQRES 5 A 90 HIS ILE ARG THR HIS THR GLY GLU LYS PRO PHE ALA CYS SEQRES 6 A 90 ASP ILE CYS GLY ARG LYS PHE ALA ARG SER ASP GLU ARG SEQRES 7 A 90 LYS ARG HIS THR LYS ILE HIS LEU ARG GLN LYS ASP HET ZN A 201 1 HET ZN A 202 1 HET ZN A 203 1 HETNAM ZN ZINC ION FORMUL 4 ZN 3(ZN 2+) FORMUL 7 HOH *153(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 NE2 HIS A 125 1555 1555 2.11 LINK ZN ZN A 201 NE2 HIS A 129 1555 1555 1.95 LINK ZN ZN A 202 SG CYS A 137 1555 1555 2.19 LINK ZN ZN A 202 SG CYS A 140 1555 1555 2.26 LINK ZN ZN A 202 NE2 HIS A 153 1555 1555 2.26 LINK ZN ZN A 202 NE2 HIS A 157 1555 1555 2.22 LINK ZN ZN A 203 SG CYS A 168 1555 1555 2.33 LINK ZN ZN A 203 NE2 HIS A 181 1555 1555 2.12 LINK ZN ZN A 203 NE2 HIS A 185 1555 1555 1.91 LINK ZN ZN A 201 SG CYS A 107 1555 1555 2.41 LINK ZN ZN A 201 SG CYS A 112 1555 1555 2.43 LINK ZN ZN A 203 SG CYS A 165 1555 1555 2.40 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 42.300 55.900 133.600 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 0.023641 0.000000 0.000000 0.00000 SCALE2 0.000000 0.017889 0.000000 0.00000 SCALE3 0.000000 0.000000 0.007485 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= 1.95 K(o=1.6,f=-11!) USER MOD Set 1.2: B 5 DT C7 :methyl -30:sc= -0.303 (180deg=-0.131) USER MOD Set 2.1: A 136 GLN : amide:sc= 0.736 K(o=0.73,f=-0.066) USER MOD Set 2.2: A 141 MET CE :methyl 141:sc= -0.0111 (180deg=0) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 141:sc= 1.29 USER MOD Single : A 119 SER OG : rot 60:sc= 0.0717 USER MOD Single : A 123 THR OG1 : rot 24:sc= 0.0564 USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD Single : A 132 GLN : amide:sc= -1.74 X(o=-1.7,f=-1.3) USER MOD Single : A 133 LYS NZ :NH3+ 156:sc= 0.1 (180deg=0.0315) USER MOD Single : A 143 ASN : amide:sc= 0.0515 X(o=0.051,f=0) USER MOD Single : A 145 SER OG : rot 161:sc= 1.55 USER MOD Single : A 147 SER OG : rot 81:sc= 0.543 USER MOD Single : A 151 THR OG1 : rot 67:sc= 0.611 USER MOD Single : A 152 THR OG1 : rot 131:sc= 2.42 USER MOD Single : A 156 THR OG1 : rot -48:sc= 1.06 USER MOD Single : A 158 THR OG1 : rot -167:sc= 1.07 USER MOD Single : A 161 LYS NZ :NH3+ 165:sc= 1.01 (180deg=0.869) USER MOD Single : A 171 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 175 SER OG : rot -149:sc= 2.13 USER MOD Single : A 179 LYS NZ :NH3+ -176:sc= 2.6 (180deg=2.57) USER MOD Single : A 182 THR OG1 : rot 64:sc= 0.384 USER MOD Single : A 183 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 DA O5' : rot 78:sc= 2.39 USER MOD Single : B 11 DT C7 :methyl 150:sc= -0.471 (180deg=-0.471) USER MOD Single : B 11 DT O3' : rot -71:sc= 2.38 USER MOD Single : C 51 DT C7 :methyl -30:sc= -0.233 (180deg=-0.972) USER MOD Single : C 51 DT O5' : rot 120:sc= -0.438 USER MOD Single : C 61 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA B 1 13.001 24.201 41.192 1.00 30.05 O ATOM 2 C5' DA B 1 14.359 24.472 40.852 1.00 29.64 C ATOM 3 C4' DA B 1 15.342 23.583 41.579 1.00 30.19 C ATOM 4 O4' DA B 1 15.264 23.819 43.005 1.00 29.76 O ATOM 5 C3' DA B 1 15.129 22.080 41.393 1.00 30.70 C ATOM 6 O3' DA B 1 16.399 21.427 41.319 1.00 31.64 O ATOM 7 C2' DA B 1 14.402 21.670 42.661 1.00 29.31 C ATOM 8 C1' DA B 1 15.032 22.595 43.685 1.00 27.90 C ATOM 9 N9 DA B 1 14.193 22.878 44.845 1.00 26.52 N ATOM 10 C8 DA B 1 14.431 22.531 46.150 1.00 25.24 C ATOM 11 N7 DA B 1 13.506 22.936 46.983 1.00 24.83 N ATOM 12 C5 DA B 1 12.592 23.593 46.172 1.00 25.50 C ATOM 13 C6 DA B 1 11.383 24.253 46.452 1.00 25.52 C ATOM 14 N6 DA B 1 10.873 24.372 47.680 1.00 25.72 N ATOM 15 N1 DA B 1 10.707 24.795 45.414 1.00 25.13 N ATOM 16 C2 DA B 1 11.228 24.686 44.186 1.00 24.27 C ATOM 17 N3 DA B 1 12.358 24.097 43.798 1.00 25.77 N ATOM 18 C4 DA B 1 12.999 23.563 44.852 1.00 25.52 C ATOM 0 H5' DA B 1 14.559 25.399 41.055 1.00 29.64 H new ATOM 0 H5'' DA B 1 14.476 24.360 39.896 1.00 29.64 H new ATOM 0 H4' DA B 1 16.199 23.818 41.190 1.00 30.19 H new ATOM 0 H3' DA B 1 14.640 21.852 40.587 1.00 30.70 H new ATOM 0 H2' DA B 1 13.444 21.802 42.591 1.00 29.31 H new ATOM 0 H2'' DA B 1 14.545 20.735 42.877 1.00 29.31 H new ATOM 0 HO5' DA B 1 12.827 24.539 41.941 1.00 30.05 H new ATOM 0 H1' DA B 1 15.829 22.164 44.031 1.00 27.90 H new ATOM 0 H8 DA B 1 15.181 22.052 46.419 1.00 25.24 H new ATOM 0 H61 DA B 1 10.129 24.786 47.798 1.00 25.72 H new ATOM 0 H62 DA B 1 11.289 24.034 48.353 1.00 25.72 H new ATOM 0 H2 DA B 1 10.729 25.078 43.506 1.00 24.27 H new ATOM 19 P DG B 2 16.485 19.905 40.822 1.00 32.10 P ATOM 20 OP1 DG B 2 17.839 19.708 40.244 1.00 32.57 O ATOM 21 OP2 DG B 2 15.282 19.619 39.999 1.00 32.01 O ATOM 22 O5' DG B 2 16.383 19.061 42.168 1.00 30.06 O ATOM 23 C5' DG B 2 17.525 18.925 43.025 1.00 30.14 C ATOM 24 C4' DG B 2 17.234 17.941 44.130 1.00 30.80 C ATOM 25 O4' DG B 2 16.324 18.527 45.090 1.00 29.65 O ATOM 26 C3' DG B 2 16.589 16.630 43.676 1.00 31.90 C ATOM 27 O3' DG B 2 17.175 15.540 44.391 1.00 32.97 O ATOM 28 C2' DG B 2 15.129 16.805 44.059 1.00 30.86 C ATOM 29 C1' DG B 2 15.250 17.633 45.323 1.00 29.75 C ATOM 30 N9 DG B 2 14.078 18.425 45.676 1.00 26.99 N ATOM 31 C8 DG B 2 13.155 18.982 44.826 1.00 26.69 C ATOM 32 N7 DG B 2 12.227 19.657 45.449 1.00 26.19 N ATOM 33 C5 DG B 2 12.556 19.534 46.792 1.00 25.50 C ATOM 34 C6 DG B 2 11.921 20.058 47.948 1.00 24.46 C ATOM 35 O6 DG B 2 10.906 20.763 48.018 1.00 25.05 O ATOM 36 N1 DG B 2 12.589 19.686 49.111 1.00 23.12 N ATOM 37 C2 DG B 2 13.720 18.911 49.158 1.00 23.34 C ATOM 38 N2 DG B 2 14.210 18.655 50.378 1.00 21.91 N ATOM 39 N3 DG B 2 14.325 18.421 48.088 1.00 25.45 N ATOM 40 C4 DG B 2 13.693 18.770 46.947 1.00 25.65 C ATOM 0 H5' DG B 2 17.758 19.787 43.404 1.00 30.14 H new ATOM 0 H5'' DG B 2 18.290 18.626 42.510 1.00 30.14 H new ATOM 0 H4' DG B 2 18.106 17.737 44.502 1.00 30.80 H new ATOM 0 H3' DG B 2 16.705 16.442 42.732 1.00 31.90 H new ATOM 0 H2' DG B 2 14.622 17.262 43.370 1.00 30.86 H new ATOM 0 H2'' DG B 2 14.689 15.956 44.219 1.00 30.86 H new ATOM 0 H1' DG B 2 15.373 17.018 46.063 1.00 29.75 H new ATOM 0 H8 DG B 2 13.187 18.888 43.901 1.00 26.69 H new ATOM 0 H1 DG B 2 12.268 19.964 49.859 1.00 23.12 H new ATOM 0 H21 DG B 2 14.918 18.174 50.465 1.00 21.91 H new ATOM 0 H22 DG B 2 13.817 18.972 51.074 1.00 21.91 H new ATOM 41 P DC B 3 16.616 14.051 44.176 1.00 35.36 P ATOM 42 OP1 DC B 3 17.712 13.111 44.532 1.00 33.96 O ATOM 43 OP2 DC B 3 15.987 13.966 42.829 1.00 35.38 O ATOM 44 O5' DC B 3 15.469 13.940 45.275 1.00 32.20 O ATOM 45 C5' DC B 3 15.778 14.151 46.657 1.00 30.04 C ATOM 46 C4' DC B 3 14.555 13.952 47.517 1.00 28.68 C ATOM 47 O4' DC B 3 13.725 15.138 47.566 1.00 27.63 O ATOM 48 C3' DC B 3 13.625 12.797 47.124 1.00 28.09 C ATOM 49 O3' DC B 3 13.192 12.143 48.314 1.00 29.63 O ATOM 50 C2' DC B 3 12.418 13.518 46.555 1.00 27.69 C ATOM 51 C1' DC B 3 12.390 14.681 47.519 1.00 26.87 C ATOM 52 N1 DC B 3 11.502 15.813 47.222 1.00 25.42 N ATOM 53 C2 DC B 3 11.048 16.592 48.292 1.00 24.90 C ATOM 54 O2 DC B 3 11.474 16.353 49.432 1.00 24.72 O ATOM 55 N3 DC B 3 10.163 17.584 48.059 1.00 24.67 N ATOM 56 C4 DC B 3 9.741 17.820 46.816 1.00 24.18 C ATOM 57 N4 DC B 3 8.839 18.786 46.639 1.00 24.26 N ATOM 58 C5 DC B 3 10.219 17.070 45.702 1.00 23.88 C ATOM 59 C6 DC B 3 11.093 16.086 45.948 1.00 24.49 C ATOM 0 H5' DC B 3 16.124 15.049 46.782 1.00 30.04 H new ATOM 0 H5'' DC B 3 16.476 13.537 46.934 1.00 30.04 H new ATOM 0 H4' DC B 3 14.954 13.738 48.375 1.00 28.68 H new ATOM 0 H3' DC B 3 14.037 12.154 46.526 1.00 28.09 H new ATOM 0 H2' DC B 3 12.542 13.794 45.633 1.00 27.69 H new ATOM 0 H2'' DC B 3 11.609 12.983 46.584 1.00 27.69 H new ATOM 0 H1' DC B 3 12.019 14.347 48.351 1.00 26.87 H new ATOM 0 H41 DC B 3 8.547 18.962 45.850 1.00 24.26 H new ATOM 0 H42 DC B 3 8.549 19.233 47.314 1.00 24.26 H new ATOM 0 H5 DC B 3 9.934 17.257 44.837 1.00 23.88 H new ATOM 0 H6 DC B 3 11.426 15.581 45.241 1.00 24.49 H new ATOM 60 P DG B 4 13.219 10.543 48.413 1.00 30.60 P ATOM 61 OP1 DG B 4 14.585 10.086 48.056 1.00 32.44 O ATOM 62 OP2 DG B 4 12.041 9.991 47.686 1.00 29.87 O ATOM 63 O5' DG B 4 12.990 10.291 49.966 1.00 30.25 O ATOM 64 C5' DG B 4 13.812 10.953 50.943 1.00 28.65 C ATOM 65 C4' DG B 4 12.977 11.369 52.130 1.00 28.14 C ATOM 66 O4' DG B 4 12.232 12.579 51.840 1.00 28.10 O ATOM 67 C3' DG B 4 11.951 10.327 52.567 1.00 27.71 C ATOM 68 O3' DG B 4 11.935 10.233 53.988 1.00 27.53 O ATOM 69 C2' DG B 4 10.637 10.880 52.041 1.00 26.75 C ATOM 70 C1' DG B 4 10.856 12.380 52.119 1.00 25.80 C ATOM 71 N9 DG B 4 10.087 13.154 51.148 1.00 25.78 N ATOM 72 C8 DG B 4 10.219 13.126 49.780 1.00 25.00 C ATOM 73 N7 DG B 4 9.394 13.931 49.168 1.00 24.22 N ATOM 74 C5 DG B 4 8.670 14.528 50.191 1.00 23.59 C ATOM 75 C6 DG B 4 7.626 15.491 50.141 1.00 21.83 C ATOM 76 O6 DG B 4 7.118 16.027 49.147 1.00 22.39 O ATOM 77 N1 DG B 4 7.172 15.818 51.413 1.00 20.44 N ATOM 78 C2 DG B 4 7.657 15.291 52.584 1.00 20.97 C ATOM 79 N2 DG B 4 7.086 15.735 53.713 1.00 20.95 N ATOM 80 N3 DG B 4 8.628 14.397 52.647 1.00 22.92 N ATOM 81 C4 DG B 4 9.084 14.061 51.421 1.00 24.80 C ATOM 0 H5' DG B 4 14.234 11.732 50.547 1.00 28.65 H new ATOM 0 H5'' DG B 4 14.524 10.361 51.231 1.00 28.65 H new ATOM 0 H4' DG B 4 13.622 11.495 52.843 1.00 28.14 H new ATOM 0 H3' DG B 4 12.136 9.435 52.235 1.00 27.71 H new ATOM 0 H2' DG B 4 10.460 10.588 51.133 1.00 26.75 H new ATOM 0 H2'' DG B 4 9.884 10.597 52.582 1.00 26.75 H new ATOM 0 H1' DG B 4 10.569 12.685 52.994 1.00 25.80 H new ATOM 0 H8 DG B 4 10.834 12.588 49.336 1.00 25.00 H new ATOM 0 H1 DG B 4 6.538 16.396 51.471 1.00 20.44 H new ATOM 0 H21 DG B 4 7.352 15.438 54.475 1.00 20.95 H new ATOM 0 H22 DG B 4 6.454 16.317 53.675 1.00 20.95 H new ATOM 82 P DT B 5 11.259 8.963 54.686 1.00 26.72 P ATOM 83 OP1 DT B 5 11.769 8.878 56.075 1.00 27.40 O ATOM 84 OP2 DT B 5 11.396 7.795 53.782 1.00 26.36 O ATOM 85 O5' DT B 5 9.722 9.360 54.734 1.00 27.87 O ATOM 86 C5' DT B 5 9.268 10.406 55.598 1.00 27.72 C ATOM 87 C4' DT B 5 7.778 10.593 55.447 1.00 27.34 C ATOM 88 O4' DT B 5 7.469 11.422 54.301 1.00 26.33 O ATOM 89 C3' DT B 5 6.983 9.295 55.263 1.00 28.50 C ATOM 90 O3' DT B 5 5.789 9.367 56.042 1.00 31.93 O ATOM 91 C2' DT B 5 6.608 9.330 53.792 1.00 26.53 C ATOM 92 C1' DT B 5 6.382 10.818 53.633 1.00 25.96 C ATOM 93 N1 DT B 5 6.309 11.350 52.262 1.00 23.85 N ATOM 94 C2 DT B 5 5.495 12.442 52.056 1.00 22.71 C ATOM 95 O2 DT B 5 4.896 13.006 52.956 1.00 23.19 O ATOM 96 N3 DT B 5 5.407 12.854 50.753 1.00 21.74 N ATOM 97 C4 DT B 5 6.045 12.306 49.663 1.00 20.93 C ATOM 98 O4 DT B 5 5.847 12.772 48.548 1.00 20.17 O ATOM 99 C5 DT B 5 6.915 11.185 49.954 1.00 21.65 C ATOM 100 C7 DT B 5 7.674 10.544 48.835 1.00 22.15 C ATOM 101 C6 DT B 5 7.003 10.769 51.224 1.00 22.94 C ATOM 0 H5' DT B 5 9.728 11.233 55.386 1.00 27.72 H new ATOM 0 H5'' DT B 5 9.482 10.190 56.519 1.00 27.72 H new ATOM 0 H4' DT B 5 7.514 11.004 56.285 1.00 27.34 H new ATOM 0 H3' DT B 5 7.472 8.499 55.525 1.00 28.50 H new ATOM 0 H2' DT B 5 7.315 8.996 53.218 1.00 26.53 H new ATOM 0 H2'' DT B 5 5.814 8.808 53.596 1.00 26.53 H new ATOM 0 H1' DT B 5 5.502 11.014 53.990 1.00 25.96 H new ATOM 0 H3 DT B 5 4.897 13.529 50.599 1.00 21.74 H new ATOM 0 H71 DT B 5 7.170 10.630 48.011 1.00 22.15 H new ATOM 0 H72 DT B 5 8.534 10.982 48.734 1.00 22.15 H new ATOM 0 H73 DT B 5 7.811 9.604 49.033 1.00 22.15 H new ATOM 0 H6 DT B 5 7.562 10.050 51.415 1.00 22.94 H new ATOM 102 P DG B 6 5.105 8.022 56.594 1.00 32.42 P ATOM 103 OP1 DG B 6 5.963 7.488 57.681 1.00 33.16 O ATOM 104 OP2 DG B 6 4.737 7.147 55.446 1.00 32.60 O ATOM 105 O5' DG B 6 3.772 8.564 57.264 1.00 32.73 O ATOM 106 C5' DG B 6 3.803 9.738 58.091 1.00 33.47 C ATOM 107 C4' DG B 6 2.593 10.600 57.817 1.00 33.54 C ATOM 108 O4' DG B 6 2.718 11.239 56.521 1.00 32.31 O ATOM 109 C3' DG B 6 1.278 9.822 57.788 1.00 34.54 C ATOM 110 O3' DG B 6 0.258 10.549 58.473 1.00 36.74 O ATOM 111 C2' DG B 6 0.960 9.708 56.307 1.00 33.30 C ATOM 112 C1' DG B 6 1.561 10.982 55.741 1.00 31.45 C ATOM 113 N9 DG B 6 1.971 10.867 54.343 1.00 29.46 N ATOM 114 C8 DG B 6 2.944 10.047 53.826 1.00 28.12 C ATOM 115 N7 DG B 6 3.058 10.140 52.529 1.00 26.13 N ATOM 116 C5 DG B 6 2.110 11.085 52.166 1.00 26.34 C ATOM 117 C6 DG B 6 1.762 11.596 50.889 1.00 25.06 C ATOM 118 O6 DG B 6 2.232 11.299 49.786 1.00 23.84 O ATOM 119 N1 DG B 6 0.749 12.545 50.976 1.00 26.11 N ATOM 120 C2 DG B 6 0.146 12.951 52.140 1.00 26.53 C ATOM 121 N2 DG B 6 -0.801 13.889 52.019 1.00 26.79 N ATOM 122 N3 DG B 6 0.454 12.476 53.337 1.00 27.15 N ATOM 123 C4 DG B 6 1.437 11.552 53.276 1.00 27.60 C ATOM 0 H5' DG B 6 4.614 10.242 57.919 1.00 33.47 H new ATOM 0 H5'' DG B 6 3.822 9.483 59.027 1.00 33.47 H new ATOM 0 H4' DG B 6 2.566 11.238 58.547 1.00 33.54 H new ATOM 0 H3' DG B 6 1.336 8.958 58.224 1.00 34.54 H new ATOM 0 H2' DG B 6 1.357 8.916 55.913 1.00 33.30 H new ATOM 0 H2'' DG B 6 0.005 9.657 56.146 1.00 33.30 H new ATOM 0 H1' DG B 6 0.893 11.685 55.773 1.00 31.45 H new ATOM 0 H8 DG B 6 3.468 9.483 54.347 1.00 28.12 H new ATOM 0 H1 DG B 6 0.479 12.906 50.243 1.00 26.11 H new ATOM 0 H21 DG B 6 -1.211 14.179 52.717 1.00 26.79 H new ATOM 0 H22 DG B 6 -1.000 14.202 51.243 1.00 26.79 H new ATOM 124 P DG B 7 -1.088 9.799 58.925 1.00 37.09 P ATOM 125 OP1 DG B 7 -1.406 10.242 60.307 1.00 36.50 O ATOM 126 OP2 DG B 7 -0.956 8.345 58.626 1.00 36.51 O ATOM 127 O5' DG B 7 -2.178 10.422 57.950 1.00 35.17 O ATOM 128 C5' DG B 7 -2.469 11.824 57.996 1.00 32.82 C ATOM 129 C4' DG B 7 -3.498 12.176 56.951 1.00 32.76 C ATOM 130 O4' DG B 7 -2.894 12.112 55.638 1.00 32.22 O ATOM 131 C3' DG B 7 -4.710 11.243 56.910 1.00 33.16 C ATOM 132 O3' DG B 7 -5.894 12.015 56.699 1.00 33.55 O ATOM 133 C2' DG B 7 -4.426 10.346 55.715 1.00 32.04 C ATOM 134 C1' DG B 7 -3.688 11.295 54.792 1.00 32.04 C ATOM 135 N9 DG B 7 -2.803 10.672 53.814 1.00 31.32 N ATOM 136 C8 DG B 7 -1.832 9.728 54.046 1.00 31.73 C ATOM 137 N7 DG B 7 -1.183 9.385 52.965 1.00 31.97 N ATOM 138 C5 DG B 7 -1.766 10.145 51.959 1.00 31.48 C ATOM 139 C6 DG B 7 -1.478 10.207 50.568 1.00 30.58 C ATOM 140 O6 DG B 7 -0.614 9.591 49.930 1.00 29.37 O ATOM 141 N1 DG B 7 -2.318 11.104 49.912 1.00 30.15 N ATOM 142 C2 DG B 7 -3.304 11.848 50.515 1.00 30.84 C ATOM 143 N2 DG B 7 -4.018 12.655 49.712 1.00 30.02 N ATOM 144 N3 DG B 7 -3.574 11.805 51.809 1.00 31.68 N ATOM 145 C4 DG B 7 -2.773 10.937 52.465 1.00 31.42 C ATOM 0 H5' DG B 7 -1.658 12.335 57.846 1.00 32.82 H new ATOM 0 H5'' DG B 7 -2.797 12.064 58.877 1.00 32.82 H new ATOM 0 H4' DG B 7 -3.806 13.064 57.193 1.00 32.76 H new ATOM 0 H3' DG B 7 -4.846 10.738 57.727 1.00 33.16 H new ATOM 0 H2' DG B 7 -3.886 9.577 55.956 1.00 32.04 H new ATOM 0 H2'' DG B 7 -5.240 10.005 55.313 1.00 32.04 H new ATOM 0 H1' DG B 7 -4.355 11.764 54.267 1.00 32.04 H new ATOM 0 H8 DG B 7 -1.655 9.370 54.886 1.00 31.73 H new ATOM 0 H1 DG B 7 -2.211 11.200 49.064 1.00 30.15 H new ATOM 0 H21 DG B 7 -4.647 13.141 50.040 1.00 30.02 H new ATOM 0 H22 DG B 7 -3.846 12.685 48.870 1.00 30.02 H new ATOM 146 P DG B 8 -7.335 11.303 56.729 1.00 32.31 P ATOM 147 OP1 DG B 8 -8.273 12.260 57.368 1.00 33.36 O ATOM 148 OP2 DG B 8 -7.195 9.934 57.285 1.00 33.74 O ATOM 149 O5' DG B 8 -7.710 11.186 55.188 1.00 32.02 O ATOM 150 C5' DG B 8 -7.983 12.368 54.419 1.00 30.39 C ATOM 151 C4' DG B 8 -8.524 11.998 53.059 1.00 30.36 C ATOM 152 O4' DG B 8 -7.453 11.536 52.203 1.00 30.02 O ATOM 153 C3' DG B 8 -9.576 10.890 53.075 1.00 31.32 C ATOM 154 O3' DG B 8 -10.651 11.225 52.198 1.00 32.74 O ATOM 155 C2' DG B 8 -8.821 9.671 52.570 1.00 29.70 C ATOM 156 C1' DG B 8 -7.791 10.281 51.634 1.00 28.96 C ATOM 157 N9 DG B 8 -6.561 9.502 51.514 1.00 27.67 N ATOM 158 C8 DG B 8 -5.896 8.854 52.527 1.00 27.96 C ATOM 159 N7 DG B 8 -4.825 8.229 52.118 1.00 27.05 N ATOM 160 C5 DG B 8 -4.779 8.477 50.754 1.00 26.48 C ATOM 161 C6 DG B 8 -3.848 8.048 49.776 1.00 26.09 C ATOM 162 O6 DG B 8 -2.850 7.335 49.925 1.00 27.44 O ATOM 163 N1 DG B 8 -4.173 8.529 48.511 1.00 25.02 N ATOM 164 C2 DG B 8 -5.258 9.315 48.225 1.00 25.82 C ATOM 165 N2 DG B 8 -5.405 9.666 46.941 1.00 25.54 N ATOM 166 N3 DG B 8 -6.138 9.723 49.129 1.00 26.63 N ATOM 167 C4 DG B 8 -5.840 9.267 50.364 1.00 26.78 C ATOM 0 H5' DG B 8 -7.172 12.891 54.320 1.00 30.39 H new ATOM 0 H5'' DG B 8 -8.624 12.925 54.888 1.00 30.39 H new ATOM 0 H4' DG B 8 -8.941 12.811 52.734 1.00 30.36 H new ATOM 0 H3' DG B 8 -9.971 10.746 53.949 1.00 31.32 H new ATOM 0 H2' DG B 8 -8.403 9.180 53.295 1.00 29.70 H new ATOM 0 H2'' DG B 8 -9.406 9.051 52.107 1.00 29.70 H new ATOM 0 H1' DG B 8 -8.174 10.329 50.744 1.00 28.96 H new ATOM 0 H8 DG B 8 -6.180 8.860 53.413 1.00 27.96 H new ATOM 0 H1 DG B 8 -3.653 8.317 47.860 1.00 25.02 H new ATOM 0 H21 DG B 8 -6.068 10.159 46.703 1.00 25.54 H new ATOM 0 H22 DG B 8 -4.836 9.398 46.354 1.00 25.54 H new ATOM 168 P DC B 9 -11.914 10.243 52.082 1.00 35.61 P ATOM 169 OP1 DC B 9 -13.090 11.049 51.664 1.00 34.95 O ATOM 170 OP2 DC B 9 -11.982 9.435 53.326 1.00 36.98 O ATOM 171 O5' DC B 9 -11.506 9.270 50.889 1.00 35.88 O ATOM 172 C5' DC B 9 -11.158 9.808 49.606 1.00 34.71 C ATOM 173 C4' DC B 9 -10.712 8.709 48.671 1.00 34.13 C ATOM 174 O4' DC B 9 -9.352 8.289 48.938 1.00 32.37 O ATOM 175 C3' DC B 9 -11.561 7.433 48.695 1.00 33.67 C ATOM 176 O3' DC B 9 -11.683 6.954 47.360 1.00 34.19 O ATOM 177 C2' DC B 9 -10.674 6.453 49.437 1.00 32.94 C ATOM 178 C1' DC B 9 -9.347 6.879 48.856 1.00 31.69 C ATOM 179 N1 DC B 9 -8.132 6.370 49.494 1.00 28.95 N ATOM 180 C2 DC B 9 -6.996 6.207 48.700 1.00 28.37 C ATOM 181 O2 DC B 9 -7.045 6.558 47.509 1.00 27.63 O ATOM 182 N3 DC B 9 -5.879 5.678 49.241 1.00 27.20 N ATOM 183 C4 DC B 9 -5.865 5.334 50.529 1.00 27.40 C ATOM 184 N4 DC B 9 -4.744 4.800 51.016 1.00 27.12 N ATOM 185 C5 DC B 9 -7.003 5.518 51.373 1.00 27.55 C ATOM 186 C6 DC B 9 -8.104 6.038 50.819 1.00 28.08 C ATOM 0 H5' DC B 9 -10.449 10.462 49.706 1.00 34.71 H new ATOM 0 H5'' DC B 9 -11.921 10.272 49.227 1.00 34.71 H new ATOM 0 H4' DC B 9 -10.807 9.128 47.801 1.00 34.13 H new ATOM 0 H3' DC B 9 -12.441 7.559 49.083 1.00 33.67 H new ATOM 0 H2' DC B 9 -10.716 6.560 50.400 1.00 32.94 H new ATOM 0 H2'' DC B 9 -10.891 5.527 49.245 1.00 32.94 H new ATOM 0 H1' DC B 9 -9.294 6.505 47.963 1.00 31.69 H new ATOM 0 H41 DC B 9 -4.702 4.567 51.843 1.00 27.12 H new ATOM 0 H42 DC B 9 -4.063 4.688 50.503 1.00 27.12 H new ATOM 0 H5 DC B 9 -6.979 5.285 52.273 1.00 27.55 H new ATOM 0 H6 DC B 9 -8.860 6.175 51.343 1.00 28.08 H new ATOM 187 P DG B 10 -13.129 6.828 46.691 1.00 33.95 P ATOM 188 OP1 DG B 10 -13.705 8.189 46.587 1.00 34.89 O ATOM 189 OP2 DG B 10 -13.864 5.767 47.423 1.00 36.00 O ATOM 190 O5' DG B 10 -12.799 6.304 45.226 1.00 34.27 O ATOM 191 C5' DG B 10 -12.063 7.121 44.305 1.00 31.29 C ATOM 192 C4' DG B 10 -11.117 6.267 43.495 1.00 30.82 C ATOM 193 O4' DG B 10 -10.006 5.838 44.317 1.00 29.88 O ATOM 194 C3' DG B 10 -11.740 4.992 42.928 1.00 30.30 C ATOM 195 O3' DG B 10 -11.251 4.770 41.604 1.00 30.48 O ATOM 196 C2' DG B 10 -11.240 3.906 43.866 1.00 29.26 C ATOM 197 C1' DG B 10 -9.867 4.431 44.234 1.00 29.02 C ATOM 198 N9 DG B 10 -9.338 3.962 45.509 1.00 28.81 N ATOM 199 C8 DG B 10 -9.881 4.145 46.758 1.00 28.23 C ATOM 200 N7 DG B 10 -9.155 3.629 47.711 1.00 27.89 N ATOM 201 C5 DG B 10 -8.070 3.067 47.051 1.00 27.51 C ATOM 202 C6 DG B 10 -6.940 2.373 47.559 1.00 27.33 C ATOM 203 O6 DG B 10 -6.655 2.117 48.733 1.00 27.23 O ATOM 204 N1 DG B 10 -6.088 1.966 46.539 1.00 27.55 N ATOM 205 C2 DG B 10 -6.291 2.203 45.203 1.00 27.45 C ATOM 206 N2 DG B 10 -5.355 1.728 44.375 1.00 26.86 N ATOM 207 N3 DG B 10 -7.332 2.856 44.717 1.00 27.75 N ATOM 208 C4 DG B 10 -8.175 3.256 45.691 1.00 27.84 C ATOM 0 H5' DG B 10 -11.565 7.798 44.789 1.00 31.29 H new ATOM 0 H5'' DG B 10 -12.675 7.587 43.715 1.00 31.29 H new ATOM 0 H4' DG B 10 -10.849 6.836 42.757 1.00 30.82 H new ATOM 0 H3' DG B 10 -12.708 5.024 42.873 1.00 30.30 H new ATOM 0 H2' DG B 10 -11.812 3.803 44.643 1.00 29.26 H new ATOM 0 H2'' DG B 10 -11.195 3.040 43.431 1.00 29.26 H new ATOM 0 H1' DG B 10 -9.243 4.114 43.562 1.00 29.02 H new ATOM 0 H8 DG B 10 -10.683 4.591 46.908 1.00 28.23 H new ATOM 0 H1 DG B 10 -5.380 1.533 46.762 1.00 27.55 H new ATOM 0 H21 DG B 10 -5.431 1.847 43.527 1.00 26.86 H new ATOM 0 H22 DG B 10 -4.677 1.303 44.691 1.00 26.86 H new ATOM 209 P DT B 11 -11.969 3.689 40.660 1.00 30.12 P ATOM 210 OP1 DT B 11 -12.019 4.234 39.283 1.00 29.76 O ATOM 211 OP2 DT B 11 -13.224 3.261 41.325 1.00 29.58 O ATOM 212 O5' DT B 11 -10.951 2.468 40.664 1.00 30.18 O ATOM 213 C5' DT B 11 -9.738 2.537 39.905 1.00 29.52 C ATOM 214 C4' DT B 11 -9.009 1.218 39.960 1.00 30.10 C ATOM 215 O4' DT B 11 -8.452 1.029 41.284 1.00 30.01 O ATOM 216 C3' DT B 11 -9.884 -0.006 39.684 1.00 30.37 C ATOM 217 O3' DT B 11 -9.125 -1.020 39.022 1.00 31.51 O ATOM 218 C2' DT B 11 -10.168 -0.542 41.075 1.00 30.63 C ATOM 219 C1' DT B 11 -8.853 -0.241 41.770 1.00 30.23 C ATOM 220 N1 DT B 11 -8.904 -0.178 43.242 1.00 28.86 N ATOM 221 C2 DT B 11 -7.820 -0.669 43.937 1.00 28.30 C ATOM 222 O2 DT B 11 -6.824 -1.118 43.389 1.00 27.89 O ATOM 223 N3 DT B 11 -7.945 -0.616 45.301 1.00 27.13 N ATOM 224 C4 DT B 11 -9.015 -0.129 46.024 1.00 27.25 C ATOM 225 O4 DT B 11 -8.988 -0.168 47.251 1.00 25.87 O ATOM 226 C5 DT B 11 -10.111 0.392 45.230 1.00 26.57 C ATOM 227 C7 DT B 11 -11.306 0.964 45.925 1.00 26.29 C ATOM 228 C6 DT B 11 -10.002 0.340 43.897 1.00 27.47 C ATOM 0 H5' DT B 11 -9.170 3.242 40.254 1.00 29.52 H new ATOM 0 H5'' DT B 11 -9.938 2.765 38.984 1.00 29.52 H new ATOM 0 H4' DT B 11 -8.337 1.274 39.262 1.00 30.10 H new ATOM 0 H3' DT B 11 -10.660 0.217 39.147 1.00 30.37 H new ATOM 0 H2' DT B 11 -10.918 -0.093 41.496 1.00 30.63 H new ATOM 0 H2'' DT B 11 -10.372 -1.490 41.069 1.00 30.63 H new ATOM 0 HO3' DT B 11 -8.959 -0.777 38.235 1.00 31.51 H new ATOM 0 H1' DT B 11 -8.244 -0.970 41.575 1.00 30.23 H new ATOM 0 H3 DT B 11 -7.283 -0.920 45.757 1.00 27.13 H new ATOM 0 H71 DT B 11 -11.700 1.657 45.373 1.00 26.29 H new ATOM 0 H72 DT B 11 -11.958 0.263 46.078 1.00 26.29 H new ATOM 0 H73 DT B 11 -11.035 1.343 46.776 1.00 26.29 H new ATOM 0 H6 DT B 11 -10.704 0.671 43.385 1.00 27.47 H new TER 229 DT B 11 ATOM 230 O5' DT C 51 -4.642 -6.077 55.177 1.00 47.96 O ATOM 231 C5' DT C 51 -4.419 -7.490 55.289 1.00 46.16 C ATOM 232 C4' DT C 51 -3.924 -8.083 53.992 1.00 44.99 C ATOM 233 O4' DT C 51 -4.928 -7.900 52.967 1.00 44.27 O ATOM 234 C3' DT C 51 -2.655 -7.424 53.453 1.00 44.83 C ATOM 235 O3' DT C 51 -1.842 -8.399 52.794 1.00 45.04 O ATOM 236 C2' DT C 51 -3.184 -6.389 52.476 1.00 43.51 C ATOM 237 C1' DT C 51 -4.440 -7.053 51.931 1.00 42.55 C ATOM 238 N1 DT C 51 -5.522 -6.113 51.573 1.00 39.54 N ATOM 239 C2 DT C 51 -5.886 -6.004 50.249 1.00 38.31 C ATOM 240 O2 DT C 51 -5.329 -6.614 49.350 1.00 36.54 O ATOM 241 N3 DT C 51 -6.931 -5.143 50.014 1.00 37.28 N ATOM 242 C4 DT C 51 -7.623 -4.391 50.944 1.00 36.86 C ATOM 243 O4 DT C 51 -8.552 -3.678 50.582 1.00 37.64 O ATOM 244 C5 DT C 51 -7.167 -4.532 52.309 1.00 36.97 C ATOM 245 C7 DT C 51 -7.832 -3.730 53.385 1.00 35.46 C ATOM 246 C6 DT C 51 -6.158 -5.376 52.552 1.00 38.33 C ATOM 0 H5' DT C 51 -5.244 -7.928 55.551 1.00 46.16 H new ATOM 0 H5'' DT C 51 -3.772 -7.661 55.991 1.00 46.16 H new ATOM 0 H4' DT C 51 -3.736 -9.014 54.190 1.00 44.99 H new ATOM 0 H3' DT C 51 -2.096 -7.029 54.141 1.00 44.83 H new ATOM 0 H2' DT C 51 -3.383 -5.548 52.916 1.00 43.51 H new ATOM 0 H2'' DT C 51 -2.544 -6.197 51.773 1.00 43.51 H new ATOM 0 HO5' DT C 51 -5.448 -5.907 55.339 1.00 47.96 H new ATOM 0 H1' DT C 51 -4.198 -7.516 51.114 1.00 42.55 H new ATOM 0 H3 DT C 51 -7.183 -5.063 49.196 1.00 37.28 H new ATOM 0 H71 DT C 51 -8.156 -2.895 53.013 1.00 35.46 H new ATOM 0 H72 DT C 51 -8.578 -4.232 53.749 1.00 35.46 H new ATOM 0 H73 DT C 51 -7.194 -3.543 54.091 1.00 35.46 H new ATOM 0 H6 DT C 51 -5.868 -5.472 53.431 1.00 38.33 H new ATOM 247 P DA C 52 -0.338 -8.027 52.374 1.00 43.85 P ATOM 248 OP1 DA C 52 0.381 -9.285 52.045 1.00 43.75 O ATOM 249 OP2 DA C 52 0.210 -7.116 53.414 1.00 43.64 O ATOM 250 O5' DA C 52 -0.528 -7.197 51.029 1.00 42.38 O ATOM 251 C5' DA C 52 -0.835 -7.870 49.799 1.00 38.83 C ATOM 252 C4' DA C 52 -0.629 -6.941 48.627 1.00 35.32 C ATOM 253 O4' DA C 52 -1.799 -6.118 48.398 1.00 34.27 O ATOM 254 C3' DA C 52 0.551 -5.984 48.779 1.00 35.17 C ATOM 255 O3' DA C 52 1.323 -5.994 47.581 1.00 36.57 O ATOM 256 C2' DA C 52 -0.105 -4.633 49.028 1.00 32.54 C ATOM 257 C1' DA C 52 -1.417 -4.757 48.272 1.00 32.18 C ATOM 258 N9 DA C 52 -2.523 -3.934 48.774 1.00 29.42 N ATOM 259 C8 DA C 52 -2.791 -3.571 50.072 1.00 27.81 C ATOM 260 N7 DA C 52 -3.879 -2.848 50.206 1.00 26.81 N ATOM 261 C5 DA C 52 -4.357 -2.720 48.908 1.00 26.69 C ATOM 262 C6 DA C 52 -5.488 -2.069 48.373 1.00 26.58 C ATOM 263 N6 DA C 52 -6.375 -1.394 49.106 1.00 25.99 N ATOM 264 N1 DA C 52 -5.677 -2.135 47.037 1.00 25.94 N ATOM 265 C2 DA C 52 -4.787 -2.808 46.298 1.00 26.42 C ATOM 266 N3 DA C 52 -3.688 -3.458 46.682 1.00 28.06 N ATOM 267 C4 DA C 52 -3.529 -3.377 48.015 1.00 28.06 C ATOM 0 H5' DA C 52 -1.753 -8.182 49.815 1.00 38.83 H new ATOM 0 H5'' DA C 52 -0.271 -8.653 49.702 1.00 38.83 H new ATOM 0 H4' DA C 52 -0.452 -7.540 47.885 1.00 35.32 H new ATOM 0 H3' DA C 52 1.162 -6.218 49.495 1.00 35.17 H new ATOM 0 H2' DA C 52 -0.248 -4.470 49.974 1.00 32.54 H new ATOM 0 H2'' DA C 52 0.437 -3.902 48.693 1.00 32.54 H new ATOM 0 H1' DA C 52 -1.261 -4.448 47.366 1.00 32.18 H new ATOM 0 H8 DA C 52 -2.252 -3.815 50.789 1.00 27.81 H new ATOM 0 H61 DA C 52 -7.048 -1.016 48.726 1.00 25.99 H new ATOM 0 H62 DA C 52 -6.274 -1.337 49.958 1.00 25.99 H new ATOM 0 H2 DA C 52 -4.960 -2.825 45.384 1.00 26.42 H new ATOM 268 P DC C 53 2.469 -4.897 47.361 1.00 37.70 P ATOM 269 OP1 DC C 53 3.590 -5.541 46.640 1.00 39.49 O ATOM 270 OP2 DC C 53 2.721 -4.200 48.646 1.00 40.75 O ATOM 271 O5' DC C 53 1.756 -3.880 46.376 1.00 39.27 O ATOM 272 C5' DC C 53 0.772 -4.372 45.462 1.00 38.07 C ATOM 273 C4' DC C 53 0.111 -3.228 44.739 1.00 36.20 C ATOM 274 O4' DC C 53 -0.954 -2.640 45.524 1.00 34.84 O ATOM 275 C3' DC C 53 1.056 -2.089 44.367 1.00 35.91 C ATOM 276 O3' DC C 53 0.832 -1.767 43.002 1.00 37.29 O ATOM 277 C2' DC C 53 0.622 -0.950 45.278 1.00 34.42 C ATOM 278 C1' DC C 53 -0.859 -1.233 45.412 1.00 32.59 C ATOM 279 N1 DC C 53 -1.564 -0.634 46.559 1.00 29.97 N ATOM 280 C2 DC C 53 -2.792 0.005 46.324 1.00 27.62 C ATOM 281 O2 DC C 53 -3.223 0.065 45.165 1.00 25.53 O ATOM 282 N3 DC C 53 -3.473 0.539 47.361 1.00 27.17 N ATOM 283 C4 DC C 53 -2.974 0.459 48.596 1.00 27.94 C ATOM 284 N4 DC C 53 -3.692 0.986 49.590 1.00 27.01 N ATOM 285 C5 DC C 53 -1.717 -0.171 48.866 1.00 26.94 C ATOM 286 C6 DC C 53 -1.052 -0.700 47.827 1.00 28.14 C ATOM 0 H5' DC C 53 0.105 -4.888 45.942 1.00 38.07 H new ATOM 0 H5'' DC C 53 1.187 -4.971 44.822 1.00 38.07 H new ATOM 0 H4' DC C 53 -0.226 -3.638 43.927 1.00 36.20 H new ATOM 0 H3' DC C 53 1.999 -2.292 44.472 1.00 35.91 H new ATOM 0 H2' DC C 53 1.078 -0.971 46.134 1.00 34.42 H new ATOM 0 H2'' DC C 53 0.795 -0.080 44.885 1.00 34.42 H new ATOM 0 H1' DC C 53 -1.292 -0.832 44.642 1.00 32.59 H new ATOM 0 H41 DC C 53 -3.399 0.951 50.398 1.00 27.01 H new ATOM 0 H42 DC C 53 -4.448 1.360 49.423 1.00 27.01 H new ATOM 0 H5 DC C 53 -1.374 -0.212 49.729 1.00 26.94 H new ATOM 0 H6 DC C 53 -0.233 -1.117 47.970 1.00 28.14 H new ATOM 287 P DG C 54 1.859 -0.819 42.229 1.00 37.83 P ATOM 288 OP1 DG C 54 2.117 -1.426 40.900 1.00 38.00 O ATOM 289 OP2 DG C 54 2.998 -0.509 43.132 1.00 37.82 O ATOM 290 O5' DG C 54 0.990 0.496 42.024 1.00 38.46 O ATOM 291 C5' DG C 54 -0.310 0.413 41.421 1.00 35.91 C ATOM 292 C4' DG C 54 -0.959 1.773 41.406 1.00 35.55 C ATOM 293 O4' DG C 54 -1.566 2.060 42.689 1.00 33.91 O ATOM 294 C3' DG C 54 0.022 2.911 41.128 1.00 36.43 C ATOM 295 O3' DG C 54 -0.557 3.834 40.206 1.00 39.40 O ATOM 296 C2' DG C 54 0.219 3.550 42.493 1.00 34.55 C ATOM 297 C1' DG C 54 -1.140 3.336 43.133 1.00 32.24 C ATOM 298 N9 DG C 54 -1.166 3.337 44.594 1.00 30.11 N ATOM 299 C8 DG C 54 -0.198 2.863 45.449 1.00 29.49 C ATOM 300 N7 DG C 54 -0.519 2.996 46.709 1.00 28.20 N ATOM 301 C5 DG C 54 -1.769 3.602 46.685 1.00 28.18 C ATOM 302 C6 DG C 54 -2.622 4.004 47.751 1.00 28.57 C ATOM 303 O6 DG C 54 -2.436 3.905 48.970 1.00 29.28 O ATOM 304 N1 DG C 54 -3.798 4.576 47.278 1.00 27.51 N ATOM 305 C2 DG C 54 -4.114 4.742 45.953 1.00 28.01 C ATOM 306 N2 DG C 54 -5.304 5.308 45.696 1.00 28.00 N ATOM 307 N3 DG C 54 -3.327 4.379 44.953 1.00 28.61 N ATOM 308 C4 DG C 54 -2.181 3.818 45.387 1.00 28.55 C ATOM 0 H5' DG C 54 -0.864 -0.213 41.914 1.00 35.91 H new ATOM 0 H5'' DG C 54 -0.234 0.073 40.516 1.00 35.91 H new ATOM 0 H4' DG C 54 -1.613 1.732 40.691 1.00 35.55 H new ATOM 0 H3' DG C 54 0.858 2.618 40.733 1.00 36.43 H new ATOM 0 H2' DG C 54 0.930 3.122 42.996 1.00 34.55 H new ATOM 0 H2'' DG C 54 0.446 4.491 42.425 1.00 34.55 H new ATOM 0 H1' DG C 54 -1.706 4.080 42.874 1.00 32.24 H new ATOM 0 H8 DG C 54 0.602 2.487 45.160 1.00 29.49 H new ATOM 0 H1 DG C 54 -4.371 4.846 47.860 1.00 27.51 H new ATOM 0 H21 DG C 54 -5.553 5.436 44.883 1.00 28.00 H new ATOM 0 H22 DG C 54 -5.818 5.543 46.345 1.00 28.00 H new ATOM 309 P DC C 55 0.392 4.686 39.233 1.00 41.23 P ATOM 310 OP1 DC C 55 -0.119 4.536 37.846 1.00 43.67 O ATOM 311 OP2 DC C 55 1.808 4.344 39.541 1.00 42.12 O ATOM 312 O5' DC C 55 0.128 6.177 39.710 1.00 41.38 O ATOM 313 C5' DC C 55 -0.572 6.406 40.936 1.00 40.47 C ATOM 314 C4' DC C 55 -1.605 7.490 40.759 1.00 39.00 C ATOM 315 O4' DC C 55 -2.496 7.413 41.893 1.00 38.09 O ATOM 316 C3' DC C 55 -1.015 8.897 40.769 1.00 38.01 C ATOM 317 O3' DC C 55 -1.742 9.790 39.920 1.00 36.39 O ATOM 318 C2' DC C 55 -1.105 9.307 42.225 1.00 38.35 C ATOM 319 C1' DC C 55 -2.260 8.484 42.792 1.00 37.56 C ATOM 320 N1 DC C 55 -1.900 7.900 44.093 1.00 35.45 N ATOM 321 C2 DC C 55 -2.812 7.972 45.145 1.00 33.13 C ATOM 322 O2 DC C 55 -3.935 8.453 44.934 1.00 33.76 O ATOM 323 N3 DC C 55 -2.448 7.511 46.363 1.00 31.26 N ATOM 324 C4 DC C 55 -1.233 6.982 46.542 1.00 30.28 C ATOM 325 N4 DC C 55 -0.901 6.576 47.769 1.00 28.91 N ATOM 326 C5 DC C 55 -0.302 6.857 45.474 1.00 30.15 C ATOM 327 C6 DC C 55 -0.674 7.321 44.278 1.00 32.51 C ATOM 0 H5' DC C 55 0.056 6.660 41.631 1.00 40.47 H new ATOM 0 H5'' DC C 55 -1.002 5.587 41.228 1.00 40.47 H new ATOM 0 H4' DC C 55 -2.034 7.348 39.901 1.00 39.00 H new ATOM 0 H3' DC C 55 -0.108 8.923 40.426 1.00 38.01 H new ATOM 0 H2' DC C 55 -0.277 9.121 42.695 1.00 38.35 H new ATOM 0 H2'' DC C 55 -1.274 10.258 42.313 1.00 38.35 H new ATOM 0 H1' DC C 55 -3.036 9.055 42.904 1.00 37.56 H new ATOM 0 H41 DC C 55 -0.126 6.232 47.913 1.00 28.91 H new ATOM 0 H42 DC C 55 -1.462 6.658 48.416 1.00 28.91 H new ATOM 0 H5 DC C 55 0.533 6.468 45.603 1.00 30.15 H new ATOM 0 H6 DC C 55 -0.089 7.249 43.558 1.00 32.51 H new ATOM 328 P DC C 56 -1.379 11.359 39.920 1.00 35.35 P ATOM 329 OP1 DC C 56 -1.685 11.921 38.581 1.00 36.52 O ATOM 330 OP2 DC C 56 -0.016 11.519 40.489 1.00 34.38 O ATOM 331 O5' DC C 56 -2.421 11.971 40.952 1.00 33.89 O ATOM 332 C5' DC C 56 -3.827 11.767 40.762 1.00 32.44 C ATOM 333 C4' DC C 56 -4.603 12.484 41.838 1.00 32.62 C ATOM 334 O4' DC C 56 -4.360 11.841 43.113 1.00 32.24 O ATOM 335 C3' DC C 56 -4.202 13.947 42.016 1.00 32.44 C ATOM 336 O3' DC C 56 -5.362 14.745 42.261 1.00 31.83 O ATOM 337 C2' DC C 56 -3.274 13.921 43.219 1.00 32.71 C ATOM 338 C1' DC C 56 -3.821 12.767 44.044 1.00 31.65 C ATOM 339 N1 DC C 56 -2.800 12.060 44.833 1.00 30.33 N ATOM 340 C2 DC C 56 -2.978 11.923 46.218 1.00 30.28 C ATOM 341 O2 DC C 56 -3.981 12.424 46.751 1.00 30.80 O ATOM 342 N3 DC C 56 -2.052 11.251 46.939 1.00 29.17 N ATOM 343 C4 DC C 56 -0.980 10.736 46.333 1.00 29.29 C ATOM 344 N4 DC C 56 -0.093 10.078 47.083 1.00 28.49 N ATOM 345 C5 DC C 56 -0.768 10.872 44.929 1.00 30.21 C ATOM 346 C6 DC C 56 -1.696 11.534 44.225 1.00 30.26 C ATOM 0 H5' DC C 56 -4.030 10.819 40.784 1.00 32.44 H new ATOM 0 H5'' DC C 56 -4.094 12.094 39.888 1.00 32.44 H new ATOM 0 H4' DC C 56 -5.531 12.446 41.560 1.00 32.62 H new ATOM 0 H3' DC C 56 -3.774 14.331 41.235 1.00 32.44 H new ATOM 0 H2' DC C 56 -2.352 13.771 42.959 1.00 32.71 H new ATOM 0 H2'' DC C 56 -3.298 14.757 43.710 1.00 32.71 H new ATOM 0 H1' DC C 56 -4.464 13.124 44.676 1.00 31.65 H new ATOM 0 H41 DC C 56 0.607 9.736 46.720 1.00 28.49 H new ATOM 0 H42 DC C 56 -0.222 9.997 47.929 1.00 28.49 H new ATOM 0 H5 DC C 56 -0.014 10.515 44.518 1.00 30.21 H new ATOM 0 H6 DC C 56 -1.587 11.637 43.307 1.00 30.26 H new ATOM 347 P DC C 57 -5.215 16.336 42.402 1.00 30.25 P ATOM 348 OP1 DC C 57 -6.561 16.941 42.282 1.00 30.34 O ATOM 349 OP2 DC C 57 -4.128 16.781 41.498 1.00 30.39 O ATOM 350 O5' DC C 57 -4.729 16.509 43.906 1.00 31.57 O ATOM 351 C5' DC C 57 -5.602 16.152 44.982 1.00 32.15 C ATOM 352 C4' DC C 57 -5.039 16.636 46.295 1.00 33.72 C ATOM 353 O4' DC C 57 -4.075 15.692 46.822 1.00 33.56 O ATOM 354 C3' DC C 57 -4.339 17.994 46.239 1.00 34.24 C ATOM 355 O3' DC C 57 -4.838 18.823 47.290 1.00 36.29 O ATOM 356 C2' DC C 57 -2.868 17.650 46.431 1.00 33.04 C ATOM 357 C1' DC C 57 -2.935 16.392 47.283 1.00 31.83 C ATOM 358 N1 DC C 57 -1.775 15.484 47.183 1.00 29.28 N ATOM 359 C2 DC C 57 -1.303 14.861 48.348 1.00 28.11 C ATOM 360 O2 DC C 57 -1.873 15.086 49.424 1.00 27.20 O ATOM 361 N3 DC C 57 -0.239 14.031 48.271 1.00 26.44 N ATOM 362 C4 DC C 57 0.353 13.816 47.095 1.00 26.32 C ATOM 363 N4 DC C 57 1.409 13.002 47.069 1.00 26.57 N ATOM 364 C5 DC C 57 -0.109 14.430 45.894 1.00 26.16 C ATOM 365 C6 DC C 57 -1.166 15.249 45.983 1.00 27.90 C ATOM 0 H5' DC C 57 -5.717 15.189 45.008 1.00 32.15 H new ATOM 0 H5'' DC C 57 -6.480 16.539 44.837 1.00 32.15 H new ATOM 0 H4' DC C 57 -5.821 16.724 46.862 1.00 33.72 H new ATOM 0 H3' DC C 57 -4.485 18.484 45.415 1.00 34.24 H new ATOM 0 H2' DC C 57 -2.421 17.490 45.585 1.00 33.04 H new ATOM 0 H2'' DC C 57 -2.385 18.363 46.877 1.00 33.04 H new ATOM 0 H1' DC C 57 -2.958 16.667 48.213 1.00 31.83 H new ATOM 0 H41 DC C 57 1.812 12.844 46.326 1.00 26.57 H new ATOM 0 H42 DC C 57 1.687 12.635 47.795 1.00 26.57 H new ATOM 0 H5 DC C 57 0.308 14.268 45.079 1.00 26.16 H new ATOM 0 H6 DC C 57 -1.490 15.664 45.216 1.00 27.90 H new ATOM 366 P DA C 58 -4.157 20.247 47.581 1.00 37.96 P ATOM 367 OP1 DA C 58 -5.195 21.144 48.152 1.00 38.41 O ATOM 368 OP2 DA C 58 -3.392 20.677 46.382 1.00 38.32 O ATOM 369 O5' DA C 58 -3.133 19.882 48.739 1.00 38.26 O ATOM 370 C5' DA C 58 -3.556 19.033 49.814 1.00 37.56 C ATOM 371 C4' DA C 58 -2.534 19.049 50.921 1.00 36.23 C ATOM 372 O4' DA C 58 -1.542 18.017 50.719 1.00 35.49 O ATOM 373 C3' DA C 58 -1.780 20.370 51.047 1.00 36.37 C ATOM 374 O3' DA C 58 -1.763 20.768 52.413 1.00 38.70 O ATOM 375 C2' DA C 58 -0.387 20.042 50.538 1.00 34.83 C ATOM 376 C1' DA C 58 -0.244 18.563 50.850 1.00 33.65 C ATOM 377 N9 DA C 58 0.636 17.840 49.932 1.00 31.76 N ATOM 378 C8 DA C 58 0.766 18.022 48.580 1.00 30.41 C ATOM 379 N7 DA C 58 1.651 17.231 48.022 1.00 28.72 N ATOM 380 C5 DA C 58 2.134 16.476 49.080 1.00 28.86 C ATOM 381 C6 DA C 58 3.102 15.461 49.150 1.00 28.83 C ATOM 382 N6 DA C 58 3.794 15.025 48.094 1.00 27.42 N ATOM 383 N1 DA C 58 3.344 14.906 50.359 1.00 28.65 N ATOM 384 C2 DA C 58 2.660 15.355 51.418 1.00 27.88 C ATOM 385 N3 DA C 58 1.733 16.307 51.479 1.00 29.29 N ATOM 386 C4 DA C 58 1.513 16.834 50.262 1.00 30.15 C ATOM 0 H5' DA C 58 -3.678 18.127 49.491 1.00 37.56 H new ATOM 0 H5'' DA C 58 -4.414 19.332 50.153 1.00 37.56 H new ATOM 0 H4' DA C 58 -3.048 18.905 51.731 1.00 36.23 H new ATOM 0 H3' DA C 58 -2.178 21.103 50.551 1.00 36.37 H new ATOM 0 H2' DA C 58 -0.302 20.218 49.588 1.00 34.83 H new ATOM 0 H2'' DA C 58 0.292 20.570 50.986 1.00 34.83 H new ATOM 0 H1' DA C 58 0.147 18.474 51.733 1.00 33.65 H new ATOM 0 H8 DA C 58 0.272 18.649 48.102 1.00 30.41 H new ATOM 0 H61 DA C 58 4.377 14.400 48.190 1.00 27.42 H new ATOM 0 H62 DA C 58 3.657 15.369 47.318 1.00 27.42 H new ATOM 0 H2 DA C 58 2.862 14.943 52.227 1.00 27.88 H new ATOM 387 P DC C 59 -1.037 22.130 52.846 1.00 40.00 P ATOM 388 OP1 DC C 59 -2.015 22.966 53.584 1.00 39.38 O ATOM 389 OP2 DC C 59 -0.300 22.705 51.688 1.00 40.44 O ATOM 390 O5' DC C 59 0.024 21.583 53.888 1.00 40.05 O ATOM 391 C5' DC C 59 -0.286 20.425 54.675 1.00 37.46 C ATOM 392 C4' DC C 59 0.970 19.885 55.305 1.00 36.69 C ATOM 393 O4' DC C 59 1.709 19.068 54.362 1.00 35.62 O ATOM 394 C3' DC C 59 1.915 20.997 55.750 1.00 36.65 C ATOM 395 O3' DC C 59 2.375 20.745 57.071 1.00 37.49 O ATOM 396 C2' DC C 59 3.042 20.951 54.729 1.00 35.20 C ATOM 397 C1' DC C 59 3.062 19.487 54.328 1.00 34.46 C ATOM 398 N1 DC C 59 3.592 19.206 52.982 1.00 32.54 N ATOM 399 C2 DC C 59 4.473 18.126 52.816 1.00 31.13 C ATOM 400 O2 DC C 59 4.772 17.434 53.803 1.00 30.40 O ATOM 401 N3 DC C 59 4.974 17.865 51.587 1.00 29.61 N ATOM 402 C4 DC C 59 4.631 18.630 50.550 1.00 28.62 C ATOM 403 N4 DC C 59 5.163 18.340 49.359 1.00 27.10 N ATOM 404 C5 DC C 59 3.730 19.729 50.687 1.00 29.04 C ATOM 405 C6 DC C 59 3.241 19.979 51.910 1.00 30.37 C ATOM 0 H5' DC C 59 -0.696 19.745 54.118 1.00 37.46 H new ATOM 0 H5'' DC C 59 -0.930 20.654 55.363 1.00 37.46 H new ATOM 0 H4' DC C 59 0.679 19.368 56.072 1.00 36.69 H new ATOM 0 H3' DC C 59 1.499 21.873 55.781 1.00 36.65 H new ATOM 0 H2' DC C 59 2.867 21.531 53.971 1.00 35.20 H new ATOM 0 H2'' DC C 59 3.888 21.232 55.112 1.00 35.20 H new ATOM 0 H1' DC C 59 3.655 19.021 54.938 1.00 34.46 H new ATOM 0 H41 DC C 59 4.961 18.815 48.671 1.00 27.10 H new ATOM 0 H42 DC C 59 5.707 17.679 49.281 1.00 27.10 H new ATOM 0 H5 DC C 59 3.491 20.252 49.956 1.00 29.04 H new ATOM 0 H6 DC C 59 2.654 20.690 52.031 1.00 30.37 H new ATOM 406 P DG C 60 3.389 21.772 57.757 1.00 38.15 P ATOM 407 OP1 DG C 60 3.228 21.661 59.229 1.00 39.91 O ATOM 408 OP2 DG C 60 3.224 23.091 57.096 1.00 38.63 O ATOM 409 O5' DG C 60 4.803 21.174 57.347 1.00 38.19 O ATOM 410 C5' DG C 60 5.120 19.804 57.636 1.00 36.20 C ATOM 411 C4' DG C 60 6.573 19.534 57.335 1.00 35.37 C ATOM 412 O4' DG C 60 6.747 19.163 55.944 1.00 34.81 O ATOM 413 C3' DG C 60 7.483 20.737 57.582 1.00 35.19 C ATOM 414 O3' DG C 60 8.627 20.348 58.329 1.00 36.71 O ATOM 415 C2' DG C 60 7.897 21.175 56.187 1.00 33.84 C ATOM 416 C1' DG C 60 7.848 19.876 55.408 1.00 32.35 C ATOM 417 N9 DG C 60 7.624 20.043 53.977 1.00 29.97 N ATOM 418 C8 DG C 60 6.724 20.890 53.376 1.00 29.61 C ATOM 419 N7 DG C 60 6.764 20.839 52.075 1.00 29.08 N ATOM 420 C5 DG C 60 7.745 19.898 51.796 1.00 27.76 C ATOM 421 C6 DG C 60 8.236 19.426 50.550 1.00 27.41 C ATOM 422 O6 DG C 60 7.892 19.759 49.413 1.00 28.03 O ATOM 423 N1 DG C 60 9.233 18.470 50.721 1.00 27.02 N ATOM 424 C2 DG C 60 9.700 18.025 51.934 1.00 27.00 C ATOM 425 N2 DG C 60 10.667 17.095 51.889 1.00 23.62 N ATOM 426 N3 DG C 60 9.251 18.460 53.104 1.00 28.12 N ATOM 427 C4 DG C 60 8.280 19.391 52.958 1.00 28.40 C ATOM 0 H5' DG C 60 4.558 19.216 57.107 1.00 36.20 H new ATOM 0 H5'' DG C 60 4.934 19.611 58.568 1.00 36.20 H new ATOM 0 H4' DG C 60 6.823 18.817 57.939 1.00 35.37 H new ATOM 0 H3' DG C 60 7.044 21.440 58.086 1.00 35.19 H new ATOM 0 H2' DG C 60 7.291 21.838 55.822 1.00 33.84 H new ATOM 0 H2'' DG C 60 8.784 21.567 56.180 1.00 33.84 H new ATOM 0 H1' DG C 60 8.705 19.429 55.493 1.00 32.35 H new ATOM 0 H8 DG C 60 6.146 21.443 53.850 1.00 29.61 H new ATOM 0 H1 DG C 60 9.584 18.132 50.012 1.00 27.02 H new ATOM 0 H21 DG C 60 10.996 16.781 52.619 1.00 23.62 H new ATOM 0 H22 DG C 60 10.957 16.813 51.130 1.00 23.62 H new ATOM 428 P DC C 61 9.555 21.470 59.002 1.00 37.12 P ATOM 429 OP1 DC C 61 9.593 21.213 60.465 1.00 36.59 O ATOM 430 OP2 DC C 61 9.129 22.801 58.503 1.00 37.61 O ATOM 431 O5' DC C 61 10.983 21.141 58.384 1.00 36.58 O ATOM 432 C5' DC C 61 11.484 19.792 58.394 1.00 33.03 C ATOM 433 C4' DC C 61 12.649 19.655 57.442 1.00 31.92 C ATOM 434 O4' DC C 61 12.188 19.580 56.069 1.00 30.71 O ATOM 435 C3' DC C 61 13.663 20.798 57.495 1.00 30.30 C ATOM 436 O3' DC C 61 14.976 20.277 57.355 1.00 33.30 O ATOM 437 C2' DC C 61 13.359 21.589 56.236 1.00 30.65 C ATOM 438 C1' DC C 61 12.943 20.484 55.282 1.00 29.29 C ATOM 439 N1 DC C 61 12.112 20.916 54.142 1.00 27.57 N ATOM 440 C2 DC C 61 12.293 20.291 52.905 1.00 26.41 C ATOM 441 O2 DC C 61 13.109 19.364 52.816 1.00 26.47 O ATOM 442 N3 DC C 61 11.574 20.710 51.840 1.00 26.43 N ATOM 443 C4 DC C 61 10.699 21.708 51.977 1.00 24.84 C ATOM 444 N4 DC C 61 10.034 22.108 50.889 1.00 23.35 N ATOM 445 C5 DC C 61 10.473 22.344 53.231 1.00 25.08 C ATOM 446 C6 DC C 61 11.193 21.920 54.278 1.00 26.42 C ATOM 0 H5' DC C 61 10.778 19.177 58.141 1.00 33.03 H new ATOM 0 H5'' DC C 61 11.762 19.551 59.291 1.00 33.03 H new ATOM 0 H4' DC C 61 13.089 18.841 57.734 1.00 31.92 H new ATOM 0 H3' DC C 61 13.610 21.306 58.320 1.00 30.30 H new ATOM 0 H2' DC C 61 12.652 22.238 56.374 1.00 30.65 H new ATOM 0 H2'' DC C 61 14.133 22.077 55.915 1.00 30.65 H new ATOM 0 HO3' DC C 61 15.532 20.906 57.383 1.00 33.30 H new ATOM 0 H1' DC C 61 13.744 20.111 54.881 1.00 29.29 H new ATOM 0 H41 DC C 61 9.463 22.749 50.945 1.00 23.35 H new ATOM 0 H42 DC C 61 10.177 21.724 50.133 1.00 23.35 H new ATOM 0 H5 DC C 61 9.849 23.028 53.320 1.00 25.08 H new ATOM 0 H6 DC C 61 11.066 22.314 55.111 1.00 26.42 H new TER 447 DC C 61 ATOM 448 N ARG A 103 -15.679 8.266 61.776 1.00 48.66 N ATOM 449 CA ARG A 103 -14.378 7.700 62.118 1.00 47.87 C ATOM 450 C ARG A 103 -14.467 6.819 63.350 1.00 47.30 C ATOM 451 O ARG A 103 -14.292 7.283 64.478 1.00 47.10 O ATOM 452 CB ARG A 103 -13.353 8.808 62.349 1.00 48.28 C ATOM 453 CG ARG A 103 -13.096 9.646 61.124 1.00 48.91 C ATOM 454 CD ARG A 103 -12.175 10.806 61.434 1.00 50.32 C ATOM 455 NE ARG A 103 -12.061 11.694 60.280 1.00 51.46 N ATOM 456 CZ ARG A 103 -10.954 11.860 59.563 1.00 51.50 C ATOM 457 NH1 ARG A 103 -9.848 11.208 59.883 1.00 51.85 N ATOM 458 NH2 ARG A 103 -10.973 12.637 58.489 1.00 51.65 N ATOM 0 HA ARG A 103 -14.092 7.153 61.370 1.00 47.87 H new ATOM 0 HB2 ARG A 103 -13.663 9.382 63.067 1.00 48.28 H new ATOM 0 HB3 ARG A 103 -12.518 8.412 62.643 1.00 48.28 H new ATOM 0 HG2 ARG A 103 -12.703 9.095 60.429 1.00 48.91 H new ATOM 0 HG3 ARG A 103 -13.937 9.982 60.777 1.00 48.91 H new ATOM 0 HD2 ARG A 103 -12.514 11.300 62.197 1.00 50.32 H new ATOM 0 HD3 ARG A 103 -11.298 10.472 61.680 1.00 50.32 H new ATOM 0 HE ARG A 103 -12.759 12.141 60.048 1.00 51.46 H new ATOM 0 HH11 ARG A 103 -9.843 10.674 60.557 1.00 51.85 H new ATOM 0 HH12 ARG A 103 -9.134 11.318 59.417 1.00 51.85 H new ATOM 0 HH21 ARG A 103 -11.701 13.033 58.257 1.00 51.65 H new ATOM 0 HH22 ARG A 103 -10.258 12.745 58.024 1.00 51.65 H new ATOM 459 N PRO A 104 -14.758 5.529 63.147 1.00 46.94 N ATOM 460 CA PRO A 104 -14.878 4.561 64.242 1.00 46.45 C ATOM 461 C PRO A 104 -13.560 3.868 64.590 1.00 45.88 C ATOM 462 O PRO A 104 -13.515 3.055 65.512 1.00 45.33 O ATOM 463 CB PRO A 104 -15.882 3.535 63.690 1.00 46.74 C ATOM 464 CG PRO A 104 -16.371 4.118 62.358 1.00 46.55 C ATOM 465 CD PRO A 104 -15.219 4.935 61.885 1.00 46.44 C ATOM 0 HA PRO A 104 -15.151 4.993 65.066 1.00 46.45 H new ATOM 0 HB2 PRO A 104 -15.462 2.670 63.560 1.00 46.74 H new ATOM 0 HB3 PRO A 104 -16.620 3.402 64.305 1.00 46.74 H new ATOM 0 HG2 PRO A 104 -16.596 3.419 61.724 1.00 46.55 H new ATOM 0 HG3 PRO A 104 -17.167 4.660 62.477 1.00 46.55 H new ATOM 0 HD2 PRO A 104 -14.534 4.393 61.463 1.00 46.44 H new ATOM 0 HD3 PRO A 104 -15.487 5.608 61.239 1.00 46.44 H new ATOM 466 N TYR A 105 -12.496 4.184 63.852 1.00 45.48 N ATOM 467 CA TYR A 105 -11.200 3.547 64.077 1.00 45.26 C ATOM 468 C TYR A 105 -10.105 4.480 64.560 1.00 45.05 C ATOM 469 O TYR A 105 -9.466 5.169 63.769 1.00 44.88 O ATOM 470 CB TYR A 105 -10.737 2.841 62.811 1.00 45.09 C ATOM 471 CG TYR A 105 -11.757 1.881 62.267 1.00 45.25 C ATOM 472 CD1 TYR A 105 -11.867 0.596 62.780 1.00 45.13 C ATOM 473 CD2 TYR A 105 -12.618 2.259 61.238 1.00 45.05 C ATOM 474 CE1 TYR A 105 -12.810 -0.296 62.283 1.00 45.68 C ATOM 475 CE2 TYR A 105 -13.562 1.376 60.733 1.00 45.33 C ATOM 476 CZ TYR A 105 -13.654 0.098 61.260 1.00 45.76 C ATOM 477 OH TYR A 105 -14.589 -0.790 60.771 1.00 47.37 O ATOM 0 H TYR A 105 -12.504 4.764 63.217 1.00 45.48 H new ATOM 0 HA TYR A 105 -11.350 2.914 64.797 1.00 45.26 H new ATOM 0 HB2 TYR A 105 -10.531 3.504 62.134 1.00 45.09 H new ATOM 0 HB3 TYR A 105 -9.915 2.361 62.997 1.00 45.09 H new ATOM 0 HD1 TYR A 105 -11.301 0.328 63.467 1.00 45.13 H new ATOM 0 HD2 TYR A 105 -12.559 3.117 60.884 1.00 45.05 H new ATOM 0 HE1 TYR A 105 -12.873 -1.154 62.637 1.00 45.68 H new ATOM 0 HE2 TYR A 105 -14.129 1.640 60.045 1.00 45.33 H new ATOM 0 HH TYR A 105 -15.031 -0.423 60.158 1.00 47.37 H new ATOM 478 N ALA A 106 -9.867 4.464 65.866 1.00 44.42 N ATOM 479 CA ALA A 106 -8.843 5.311 66.454 1.00 43.38 C ATOM 480 C ALA A 106 -7.560 4.537 66.710 1.00 42.32 C ATOM 481 O ALA A 106 -7.569 3.307 66.856 1.00 41.67 O ATOM 482 CB ALA A 106 -9.351 5.934 67.751 1.00 43.68 C ATOM 0 H ALA A 106 -10.289 3.969 66.428 1.00 44.42 H new ATOM 0 HA ALA A 106 -8.643 6.017 65.820 1.00 43.38 H new ATOM 0 HB1 ALA A 106 -8.659 6.496 68.133 1.00 43.68 H new ATOM 0 HB2 ALA A 106 -10.138 6.471 67.566 1.00 43.68 H new ATOM 0 HB3 ALA A 106 -9.580 5.232 68.380 1.00 43.68 H new ATOM 483 N CYS A 107 -6.460 5.282 66.738 1.00 41.69 N ATOM 484 CA CYS A 107 -5.127 4.745 66.992 1.00 41.09 C ATOM 485 C CYS A 107 -5.031 4.418 68.480 1.00 40.85 C ATOM 486 O CYS A 107 -5.284 5.281 69.317 1.00 40.99 O ATOM 487 CB CYS A 107 -4.084 5.799 66.637 1.00 40.70 C ATOM 488 SG CYS A 107 -2.404 5.219 66.703 1.00 39.44 S ATOM 0 H CYS A 107 -6.468 6.132 66.607 1.00 41.69 H new ATOM 0 HA CYS A 107 -4.970 3.950 66.458 1.00 41.09 H new ATOM 0 HB2 CYS A 107 -4.266 6.130 65.744 1.00 40.70 H new ATOM 0 HB3 CYS A 107 -4.180 6.550 67.243 1.00 40.70 H new ATOM 489 N PRO A 108 -4.689 3.164 68.827 1.00 40.50 N ATOM 490 CA PRO A 108 -4.580 2.766 70.231 1.00 40.43 C ATOM 491 C PRO A 108 -3.321 3.256 70.937 1.00 40.81 C ATOM 492 O PRO A 108 -3.206 3.146 72.147 1.00 41.00 O ATOM 493 CB PRO A 108 -4.643 1.247 70.150 1.00 40.36 C ATOM 494 CG PRO A 108 -3.943 0.954 68.872 1.00 40.72 C ATOM 495 CD PRO A 108 -4.509 1.999 67.940 1.00 41.18 C ATOM 0 HA PRO A 108 -5.279 3.164 70.772 1.00 40.43 H new ATOM 0 HB2 PRO A 108 -4.202 0.828 70.906 1.00 40.36 H new ATOM 0 HB3 PRO A 108 -5.558 0.925 70.141 1.00 40.36 H new ATOM 0 HG2 PRO A 108 -2.980 1.034 68.961 1.00 40.72 H new ATOM 0 HG3 PRO A 108 -4.125 0.054 68.559 1.00 40.72 H new ATOM 0 HD2 PRO A 108 -3.904 2.194 67.208 1.00 41.18 H new ATOM 0 HD3 PRO A 108 -5.348 1.713 67.546 1.00 41.18 H new ATOM 496 N VAL A 109 -2.386 3.817 70.186 1.00 41.04 N ATOM 497 CA VAL A 109 -1.159 4.321 70.778 1.00 42.25 C ATOM 498 C VAL A 109 -1.477 5.472 71.738 1.00 43.26 C ATOM 499 O VAL A 109 -2.292 6.344 71.432 1.00 43.31 O ATOM 500 CB VAL A 109 -0.156 4.752 69.686 1.00 42.62 C ATOM 501 CG1 VAL A 109 1.028 5.493 70.308 1.00 42.94 C ATOM 502 CG2 VAL A 109 0.326 3.515 68.898 1.00 41.44 C ATOM 0 H VAL A 109 -2.442 3.915 69.333 1.00 41.04 H new ATOM 0 HA VAL A 109 -0.740 3.609 71.286 1.00 42.25 H new ATOM 0 HB VAL A 109 -0.600 5.358 69.072 1.00 42.62 H new ATOM 0 HG11 VAL A 109 1.648 5.757 69.610 1.00 42.94 H new ATOM 0 HG12 VAL A 109 0.708 6.283 70.771 1.00 42.94 H new ATOM 0 HG13 VAL A 109 1.480 4.910 70.938 1.00 42.94 H new ATOM 0 HG21 VAL A 109 0.955 3.792 68.214 1.00 41.44 H new ATOM 0 HG22 VAL A 109 0.760 2.894 69.504 1.00 41.44 H new ATOM 0 HG23 VAL A 109 -0.434 3.081 68.480 1.00 41.44 H new ATOM 503 N GLU A 110 -0.849 5.437 72.911 1.00 44.61 N ATOM 504 CA GLU A 110 -1.055 6.431 73.961 1.00 46.01 C ATOM 505 C GLU A 110 -0.919 7.886 73.547 1.00 45.98 C ATOM 506 O GLU A 110 -1.816 8.692 73.781 1.00 47.02 O ATOM 507 CB GLU A 110 -0.110 6.169 75.131 1.00 47.71 C ATOM 508 CG GLU A 110 -0.276 4.806 75.767 1.00 50.82 C ATOM 509 CD GLU A 110 -0.114 4.842 77.275 1.00 52.54 C ATOM 510 OE1 GLU A 110 -1.138 5.068 77.961 1.00 54.17 O ATOM 511 OE2 GLU A 110 1.024 4.648 77.770 1.00 53.13 O ATOM 0 H GLU A 110 -0.282 4.825 73.122 1.00 44.61 H new ATOM 0 HA GLU A 110 -1.986 6.315 74.208 1.00 46.01 H new ATOM 0 HB2 GLU A 110 0.805 6.262 74.822 1.00 47.71 H new ATOM 0 HB3 GLU A 110 -0.252 6.850 75.807 1.00 47.71 H new ATOM 0 HG2 GLU A 110 -1.153 4.455 75.548 1.00 50.82 H new ATOM 0 HG3 GLU A 110 0.376 4.195 75.390 1.00 50.82 H new ATOM 512 N SER A 111 0.205 8.222 72.932 1.00 45.81 N ATOM 513 CA SER A 111 0.468 9.596 72.518 1.00 45.70 C ATOM 514 C SER A 111 -0.337 10.089 71.325 1.00 45.19 C ATOM 515 O SER A 111 -0.451 11.294 71.113 1.00 45.45 O ATOM 516 CB SER A 111 1.953 9.751 72.186 1.00 46.63 C ATOM 517 OG SER A 111 2.322 8.906 71.102 1.00 47.78 O ATOM 0 H SER A 111 0.834 7.667 72.743 1.00 45.81 H new ATOM 0 HA SER A 111 0.193 10.139 73.273 1.00 45.70 H new ATOM 0 HB2 SER A 111 2.143 10.675 71.960 1.00 46.63 H new ATOM 0 HB3 SER A 111 2.487 9.534 72.966 1.00 46.63 H new ATOM 0 HG SER A 111 3.139 9.006 70.934 1.00 47.78 H new ATOM 518 N CYS A 112 -0.912 9.162 70.564 1.00 44.89 N ATOM 519 CA CYS A 112 -1.644 9.511 69.350 1.00 43.61 C ATOM 520 C CYS A 112 -3.157 9.625 69.445 1.00 43.48 C ATOM 521 O CYS A 112 -3.836 8.731 69.958 1.00 43.14 O ATOM 522 CB CYS A 112 -1.274 8.531 68.243 1.00 43.23 C ATOM 523 SG CYS A 112 -1.650 9.125 66.612 1.00 40.33 S ATOM 0 H CYS A 112 -0.889 8.319 70.735 1.00 44.89 H new ATOM 0 HA CYS A 112 -1.361 10.420 69.161 1.00 43.61 H new ATOM 0 HB2 CYS A 112 -0.325 8.337 68.297 1.00 43.23 H new ATOM 0 HB3 CYS A 112 -1.744 7.695 68.391 1.00 43.23 H new ATOM 524 N ASP A 113 -3.681 10.706 68.871 1.00 42.73 N ATOM 525 CA ASP A 113 -5.111 10.948 68.889 1.00 42.16 C ATOM 526 C ASP A 113 -5.803 10.835 67.536 1.00 42.44 C ATOM 527 O ASP A 113 -7.016 11.050 67.435 1.00 43.43 O ATOM 528 CB ASP A 113 -5.395 12.297 69.535 1.00 40.99 C ATOM 529 CG ASP A 113 -4.966 12.334 70.983 1.00 40.29 C ATOM 530 OD1 ASP A 113 -5.031 11.283 71.655 1.00 39.58 O ATOM 531 OD2 ASP A 113 -4.558 13.414 71.448 1.00 40.26 O ATOM 0 H ASP A 113 -3.221 11.309 68.467 1.00 42.73 H new ATOM 0 HA ASP A 113 -5.495 10.231 69.418 1.00 42.16 H new ATOM 0 HB2 ASP A 113 -4.932 12.994 69.044 1.00 40.99 H new ATOM 0 HB3 ASP A 113 -6.344 12.490 69.475 1.00 40.99 H new ATOM 532 N ARG A 114 -5.047 10.465 66.505 1.00 41.58 N ATOM 533 CA ARG A 114 -5.591 10.311 65.157 1.00 41.23 C ATOM 534 C ARG A 114 -6.752 9.324 65.100 1.00 40.30 C ATOM 535 O ARG A 114 -6.868 8.438 65.941 1.00 39.66 O ATOM 536 CB ARG A 114 -4.492 9.867 64.189 1.00 42.77 C ATOM 537 CG ARG A 114 -3.599 10.994 63.681 1.00 45.25 C ATOM 538 CD ARG A 114 -4.142 11.576 62.384 1.00 47.33 C ATOM 539 NE ARG A 114 -3.714 12.958 62.177 1.00 49.68 N ATOM 540 CZ ARG A 114 -4.137 13.741 61.183 1.00 50.73 C ATOM 541 NH1 ARG A 114 -5.002 13.279 60.281 1.00 50.85 N ATOM 542 NH2 ARG A 114 -3.738 15.010 61.124 1.00 51.45 N ATOM 0 H ARG A 114 -4.206 10.296 66.567 1.00 41.58 H new ATOM 0 HA ARG A 114 -5.934 11.179 64.894 1.00 41.23 H new ATOM 0 HB2 ARG A 114 -3.937 9.205 64.630 1.00 42.77 H new ATOM 0 HB3 ARG A 114 -4.905 9.430 63.428 1.00 42.77 H new ATOM 0 HG2 ARG A 114 -3.539 11.691 64.352 1.00 45.25 H new ATOM 0 HG3 ARG A 114 -2.700 10.660 63.538 1.00 45.25 H new ATOM 0 HD2 ARG A 114 -3.845 11.032 61.638 1.00 47.33 H new ATOM 0 HD3 ARG A 114 -5.111 11.537 62.395 1.00 47.33 H new ATOM 0 HE ARG A 114 -3.150 13.290 62.735 1.00 49.68 H new ATOM 0 HH11 ARG A 114 -5.291 12.471 60.337 1.00 50.85 H new ATOM 0 HH12 ARG A 114 -5.271 13.789 59.643 1.00 50.85 H new ATOM 0 HH21 ARG A 114 -3.209 15.323 61.726 1.00 51.45 H new ATOM 0 HH22 ARG A 114 -4.009 15.517 60.484 1.00 51.45 H new ATOM 543 N ARG A 115 -7.627 9.518 64.118 1.00 40.16 N ATOM 544 CA ARG A 115 -8.794 8.663 63.911 1.00 40.28 C ATOM 545 C ARG A 115 -8.992 8.423 62.412 1.00 40.13 C ATOM 546 O ARG A 115 -8.710 9.301 61.594 1.00 39.73 O ATOM 547 CB ARG A 115 -10.040 9.307 64.506 1.00 40.67 C ATOM 548 CG ARG A 115 -9.864 9.744 65.947 1.00 41.39 C ATOM 549 CD ARG A 115 -11.192 10.132 66.540 1.00 41.58 C ATOM 550 NE ARG A 115 -12.103 8.996 66.522 1.00 41.08 N ATOM 551 CZ ARG A 115 -12.233 8.140 67.527 1.00 41.90 C ATOM 552 NH1 ARG A 115 -11.516 8.310 68.627 1.00 42.19 N ATOM 553 NH2 ARG A 115 -13.061 7.106 67.424 1.00 41.75 N ATOM 0 H ARG A 115 -7.560 10.157 63.546 1.00 40.16 H new ATOM 0 HA ARG A 115 -8.646 7.814 64.357 1.00 40.28 H new ATOM 0 HB2 ARG A 115 -10.285 10.077 63.969 1.00 40.67 H new ATOM 0 HB3 ARG A 115 -10.777 8.678 64.454 1.00 40.67 H new ATOM 0 HG2 ARG A 115 -9.470 9.024 66.464 1.00 41.39 H new ATOM 0 HG3 ARG A 115 -9.251 10.494 65.992 1.00 41.39 H new ATOM 0 HD2 ARG A 115 -11.069 10.442 67.451 1.00 41.58 H new ATOM 0 HD3 ARG A 115 -11.574 10.869 66.039 1.00 41.58 H new ATOM 0 HE ARG A 115 -12.584 8.873 65.820 1.00 41.08 H new ATOM 0 HH11 ARG A 115 -10.970 8.972 68.687 1.00 42.19 H new ATOM 0 HH12 ARG A 115 -11.596 7.758 69.282 1.00 42.19 H new ATOM 0 HH21 ARG A 115 -13.516 6.989 66.703 1.00 41.75 H new ATOM 0 HH22 ARG A 115 -13.142 6.553 68.078 1.00 41.75 H new ATOM 554 N PHE A 116 -9.519 7.253 62.060 1.00 39.21 N ATOM 555 CA PHE A 116 -9.701 6.888 60.660 1.00 38.72 C ATOM 556 C PHE A 116 -11.079 6.331 60.315 1.00 38.37 C ATOM 557 O PHE A 116 -11.733 5.684 61.139 1.00 38.65 O ATOM 558 CB PHE A 116 -8.629 5.863 60.235 1.00 37.77 C ATOM 559 CG PHE A 116 -7.237 6.434 60.124 1.00 37.53 C ATOM 560 CD1 PHE A 116 -6.385 6.458 61.230 1.00 36.66 C ATOM 561 CD2 PHE A 116 -6.781 6.966 58.915 1.00 36.76 C ATOM 562 CE1 PHE A 116 -5.099 7.009 61.129 1.00 36.73 C ATOM 563 CE2 PHE A 116 -5.494 7.518 58.806 1.00 36.49 C ATOM 564 CZ PHE A 116 -4.655 7.540 59.913 1.00 36.60 C ATOM 0 H PHE A 116 -9.778 6.655 62.620 1.00 39.21 H new ATOM 0 HA PHE A 116 -9.612 7.720 60.170 1.00 38.72 H new ATOM 0 HB2 PHE A 116 -8.619 5.136 60.877 1.00 37.77 H new ATOM 0 HB3 PHE A 116 -8.881 5.483 59.379 1.00 37.77 H new ATOM 0 HD1 PHE A 116 -6.673 6.105 62.041 1.00 36.66 H new ATOM 0 HD2 PHE A 116 -7.338 6.954 58.171 1.00 36.76 H new ATOM 0 HE1 PHE A 116 -4.540 7.021 61.872 1.00 36.73 H new ATOM 0 HE2 PHE A 116 -5.204 7.868 57.995 1.00 36.49 H new ATOM 0 HZ PHE A 116 -3.803 7.906 59.846 1.00 36.60 H new ATOM 565 N SER A 117 -11.478 6.565 59.066 1.00 38.18 N ATOM 566 CA SER A 117 -12.748 6.097 58.515 1.00 37.48 C ATOM 567 C SER A 117 -12.722 4.604 58.209 1.00 37.49 C ATOM 568 O SER A 117 -13.650 3.871 58.567 1.00 37.99 O ATOM 569 CB SER A 117 -13.054 6.844 57.223 1.00 36.54 C ATOM 570 OG SER A 117 -13.411 8.173 57.508 1.00 37.80 O ATOM 0 H SER A 117 -11.006 7.011 58.502 1.00 38.18 H new ATOM 0 HA SER A 117 -13.430 6.265 59.184 1.00 37.48 H new ATOM 0 HB2 SER A 117 -12.279 6.828 56.640 1.00 36.54 H new ATOM 0 HB3 SER A 117 -13.775 6.402 56.748 1.00 36.54 H new ATOM 0 HG SER A 117 -13.072 8.684 56.934 1.00 37.80 H new ATOM 571 N ARG A 118 -11.675 4.179 57.502 1.00 36.21 N ATOM 572 CA ARG A 118 -11.498 2.786 57.111 1.00 34.87 C ATOM 573 C ARG A 118 -10.364 2.185 57.947 1.00 35.06 C ATOM 574 O ARG A 118 -9.302 2.802 58.112 1.00 35.17 O ATOM 575 CB AARG A 118 -11.204 2.711 55.609 0.50 33.29 C ATOM 576 CB BARG A 118 -11.136 2.673 55.623 0.50 35.24 C ATOM 577 CG AARG A 118 -12.357 3.241 54.744 0.50 30.54 C ATOM 578 CG BARG A 118 -11.911 3.594 54.677 0.50 35.18 C ATOM 579 CD AARG A 118 -11.905 3.691 53.353 0.50 28.08 C ATOM 580 CD BARG A 118 -11.573 3.305 53.209 0.50 34.78 C ATOM 581 NE AARG A 118 -11.051 4.875 53.405 0.50 24.39 N ATOM 582 NE BARG A 118 -10.139 3.098 52.996 0.50 33.83 N ATOM 583 CZ AARG A 118 -11.491 6.125 53.358 0.50 22.68 C ATOM 584 CZ BARG A 118 -9.569 2.877 51.813 0.50 33.63 C ATOM 585 NH1AARG A 118 -12.785 6.381 53.249 0.50 22.60 N ATOM 586 NH1BARG A 118 -10.298 2.838 50.699 0.50 32.82 N ATOM 587 NH2AARG A 118 -10.636 7.123 53.477 0.50 21.94 N ATOM 588 NH2BARG A 118 -8.264 2.659 51.749 0.50 32.65 N ATOM 0 H ARG A 118 -11.043 4.698 57.235 1.00 36.21 H new ATOM 0 HA ARG A 118 -12.305 2.274 57.276 1.00 34.87 H new ATOM 0 HB2AARG A 118 -10.401 3.220 55.416 0.50 35.24 H new ATOM 0 HB2BARG A 118 -10.189 2.858 55.523 0.50 35.24 H new ATOM 0 HB3AARG A 118 -11.021 1.790 55.366 0.50 35.24 H new ATOM 0 HB3BARG A 118 -11.277 1.755 55.342 0.50 35.24 H new ATOM 0 HG2AARG A 118 -13.030 2.548 54.651 0.50 35.18 H new ATOM 0 HG2BARG A 118 -12.864 3.479 54.820 0.50 35.18 H new ATOM 0 HG3AARG A 118 -12.779 3.987 55.198 0.50 35.18 H new ATOM 0 HG3BARG A 118 -11.703 4.519 54.882 0.50 35.18 H new ATOM 0 HD2AARG A 118 -11.425 2.967 52.921 0.50 34.78 H new ATOM 0 HD2BARG A 118 -12.058 2.517 52.917 0.50 34.78 H new ATOM 0 HD3AARG A 118 -12.684 3.880 52.807 0.50 34.78 H new ATOM 0 HD3BARG A 118 -11.876 4.044 52.659 0.50 34.78 H new ATOM 0 HE AARG A 118 -10.202 4.753 53.471 0.50 33.83 H new ATOM 0 HE BARG A 118 -9.627 3.121 53.686 0.50 33.83 H new ATOM 0 HH11AARG A 118 -13.349 5.733 53.208 0.50 32.82 H new ATOM 0 HH11BARG A 118 -11.149 2.956 50.738 0.50 32.82 H new ATOM 0 HH12AARG A 118 -13.061 7.195 53.219 0.50 32.82 H new ATOM 0 HH12BARG A 118 -9.918 2.694 49.941 0.50 32.82 H new ATOM 0 HH21AARG A 118 -9.798 6.961 53.584 0.50 32.65 H new ATOM 0 HH21BARG A 118 -7.792 2.661 52.468 0.50 32.65 H new ATOM 0 HH22AARG A 118 -10.917 7.935 53.447 0.50 32.65 H new ATOM 0 HH22BARG A 118 -7.889 2.515 50.989 0.50 32.65 H new ATOM 589 N SER A 119 -10.605 0.991 58.490 1.00 35.04 N ATOM 590 CA SER A 119 -9.626 0.296 59.326 1.00 35.35 C ATOM 591 C SER A 119 -8.291 0.062 58.627 1.00 35.72 C ATOM 592 O SER A 119 -7.242 0.115 59.268 1.00 36.38 O ATOM 593 CB SER A 119 -10.196 -1.026 59.862 1.00 35.11 C ATOM 594 OG SER A 119 -10.658 -1.869 58.821 1.00 35.78 O ATOM 0 H SER A 119 -11.342 0.561 58.383 1.00 35.04 H new ATOM 0 HA SER A 119 -9.445 0.887 60.073 1.00 35.35 H new ATOM 0 HB2 SER A 119 -9.512 -1.488 60.372 1.00 35.11 H new ATOM 0 HB3 SER A 119 -10.926 -0.838 60.472 1.00 35.11 H new ATOM 0 HG SER A 119 -10.022 -2.049 58.303 1.00 35.78 H new ATOM 595 N ALA A 120 -8.329 -0.167 57.314 1.00 34.99 N ATOM 596 CA ALA A 120 -7.113 -0.393 56.535 1.00 34.10 C ATOM 597 C ALA A 120 -6.191 0.836 56.583 1.00 33.38 C ATOM 598 O ALA A 120 -4.970 0.710 56.502 1.00 33.26 O ATOM 599 CB ALA A 120 -7.469 -0.742 55.099 1.00 34.09 C ATOM 0 H ALA A 120 -9.055 -0.195 56.854 1.00 34.99 H new ATOM 0 HA ALA A 120 -6.633 -1.139 56.927 1.00 34.10 H new ATOM 0 HB1 ALA A 120 -6.656 -0.890 54.591 1.00 34.09 H new ATOM 0 HB2 ALA A 120 -8.009 -1.548 55.086 1.00 34.09 H new ATOM 0 HB3 ALA A 120 -7.969 -0.011 54.703 1.00 34.09 H new ATOM 600 N ASP A 121 -6.779 2.020 56.744 1.00 32.52 N ATOM 601 CA ASP A 121 -6.002 3.251 56.828 1.00 31.56 C ATOM 602 C ASP A 121 -5.277 3.375 58.165 1.00 30.89 C ATOM 603 O ASP A 121 -4.249 4.044 58.258 1.00 30.73 O ATOM 604 CB AASP A 121 -6.906 4.472 56.625 0.50 31.70 C ATOM 605 CB BASP A 121 -6.892 4.469 56.559 0.50 31.48 C ATOM 606 CG AASP A 121 -7.200 4.749 55.168 0.50 31.37 C ATOM 607 CG BASP A 121 -7.433 4.496 55.135 0.50 31.03 C ATOM 608 OD1AASP A 121 -6.258 4.689 54.355 0.50 32.03 O ATOM 609 OD1BASP A 121 -7.305 3.479 54.419 0.50 31.52 O ATOM 610 OD2AASP A 121 -8.365 5.042 54.833 0.50 30.96 O ATOM 611 OD2BASP A 121 -7.987 5.536 54.725 0.50 30.46 O ATOM 0 H ASP A 121 -7.630 2.130 56.807 1.00 32.52 H new ATOM 0 HA ASP A 121 -5.337 3.216 56.123 1.00 31.56 H new ATOM 0 HB2AASP A 121 -7.741 4.333 57.098 0.50 31.48 H new ATOM 0 HB2BASP A 121 -7.634 4.467 57.183 0.50 31.48 H new ATOM 0 HB3AASP A 121 -6.483 5.251 57.019 0.50 31.48 H new ATOM 0 HB3BASP A 121 -6.384 5.279 56.724 0.50 31.48 H new ATOM 612 N LEU A 122 -5.836 2.762 59.205 1.00 30.28 N ATOM 613 CA LEU A 122 -5.205 2.783 60.523 1.00 30.08 C ATOM 614 C LEU A 122 -4.032 1.796 60.502 1.00 30.14 C ATOM 615 O LEU A 122 -2.977 2.076 61.066 1.00 30.51 O ATOM 616 CB LEU A 122 -6.207 2.412 61.631 1.00 29.11 C ATOM 617 CG LEU A 122 -5.632 2.219 63.042 1.00 28.52 C ATOM 618 CD1 LEU A 122 -5.034 3.512 63.570 1.00 28.82 C ATOM 619 CD2 LEU A 122 -6.708 1.734 63.980 1.00 29.20 C ATOM 0 H LEU A 122 -6.578 2.329 59.170 1.00 30.28 H new ATOM 0 HA LEU A 122 -4.888 3.679 60.718 1.00 30.08 H new ATOM 0 HB2 LEU A 122 -6.884 3.105 61.672 1.00 29.11 H new ATOM 0 HB3 LEU A 122 -6.656 1.592 61.372 1.00 29.11 H new ATOM 0 HG LEU A 122 -4.927 1.554 62.990 1.00 28.52 H new ATOM 0 HD11 LEU A 122 -4.678 3.364 64.460 1.00 28.82 H new ATOM 0 HD12 LEU A 122 -4.320 3.803 62.981 1.00 28.82 H new ATOM 0 HD13 LEU A 122 -5.721 4.196 63.606 1.00 28.82 H new ATOM 0 HD21 LEU A 122 -6.335 1.615 64.867 1.00 29.20 H new ATOM 0 HD22 LEU A 122 -7.425 2.387 64.016 1.00 29.20 H new ATOM 0 HD23 LEU A 122 -7.058 0.887 63.661 1.00 29.20 H new ATOM 620 N THR A 123 -4.220 0.662 59.821 1.00 29.61 N ATOM 621 CA THR A 123 -3.189 -0.365 59.681 1.00 29.43 C ATOM 622 C THR A 123 -1.954 0.228 59.005 1.00 29.98 C ATOM 623 O THR A 123 -0.826 -0.139 59.330 1.00 30.39 O ATOM 624 CB THR A 123 -3.708 -1.572 58.854 1.00 29.64 C ATOM 625 OG1 THR A 123 -4.665 -2.314 59.627 1.00 30.03 O ATOM 626 CG2 THR A 123 -2.569 -2.499 58.457 1.00 27.84 C ATOM 0 H THR A 123 -4.958 0.468 59.424 1.00 29.61 H new ATOM 0 HA THR A 123 -2.956 -0.681 60.568 1.00 29.43 H new ATOM 0 HB THR A 123 -4.123 -1.225 58.048 1.00 29.64 H new ATOM 0 HG1 THR A 123 -5.004 -1.813 60.210 1.00 30.03 H new ATOM 0 HG21 THR A 123 -2.921 -3.242 57.943 1.00 27.84 H new ATOM 0 HG22 THR A 123 -1.926 -2.010 57.920 1.00 27.84 H new ATOM 0 HG23 THR A 123 -2.133 -2.836 59.255 1.00 27.84 H new ATOM 627 N ARG A 124 -2.174 1.139 58.058 1.00 30.29 N ATOM 628 CA ARG A 124 -1.077 1.808 57.357 1.00 30.63 C ATOM 629 C ARG A 124 -0.446 2.843 58.293 1.00 31.21 C ATOM 630 O ARG A 124 0.775 2.947 58.415 1.00 31.11 O ATOM 631 CB ARG A 124 -1.586 2.518 56.091 1.00 29.94 C ATOM 632 CG ARG A 124 -0.462 3.139 55.241 1.00 29.00 C ATOM 633 CD ARG A 124 -0.969 3.871 54.015 1.00 27.89 C ATOM 634 NE ARG A 124 -1.889 4.946 54.376 1.00 28.57 N ATOM 635 CZ ARG A 124 -2.400 5.822 53.515 1.00 28.70 C ATOM 636 NH1 ARG A 124 -2.083 5.773 52.226 1.00 28.26 N ATOM 637 NH2 ARG A 124 -3.262 6.729 53.944 1.00 29.13 N ATOM 0 H ARG A 124 -2.958 1.386 57.805 1.00 30.29 H new ATOM 0 HA ARG A 124 -0.422 1.142 57.095 1.00 30.63 H new ATOM 0 HB2 ARG A 124 -2.079 1.883 55.548 1.00 29.94 H new ATOM 0 HB3 ARG A 124 -2.210 3.215 56.348 1.00 29.94 H new ATOM 0 HG2 ARG A 124 0.047 3.756 55.790 1.00 29.00 H new ATOM 0 HG3 ARG A 124 0.148 2.438 54.962 1.00 29.00 H new ATOM 0 HD2 ARG A 124 -0.218 4.238 53.522 1.00 27.89 H new ATOM 0 HD3 ARG A 124 -1.417 3.245 53.425 1.00 27.89 H new ATOM 0 HE ARG A 124 -2.116 5.018 55.202 1.00 28.57 H new ATOM 0 HH11 ARG A 124 -1.541 5.170 51.939 1.00 28.26 H new ATOM 0 HH12 ARG A 124 -2.419 6.344 51.678 1.00 28.26 H new ATOM 0 HH21 ARG A 124 -3.488 6.749 54.774 1.00 29.13 H new ATOM 0 HH22 ARG A 124 -3.597 7.299 53.393 1.00 29.13 H new ATOM 638 N HIS A 125 -1.306 3.610 58.945 1.00 32.11 N ATOM 639 CA HIS A 125 -0.881 4.642 59.867 1.00 33.43 C ATOM 640 C HIS A 125 -0.007 4.102 60.987 1.00 34.10 C ATOM 641 O HIS A 125 1.026 4.698 61.324 1.00 34.13 O ATOM 642 CB HIS A 125 -2.113 5.306 60.464 1.00 33.63 C ATOM 643 CG HIS A 125 -1.824 6.129 61.676 1.00 34.24 C ATOM 644 ND1 HIS A 125 -1.254 7.379 61.606 1.00 34.96 N ATOM 645 CD2 HIS A 125 -2.038 5.885 62.990 1.00 34.32 C ATOM 646 CE1 HIS A 125 -1.132 7.874 62.825 1.00 34.59 C ATOM 647 NE2 HIS A 125 -1.600 6.987 63.683 1.00 34.67 N ATOM 0 H HIS A 125 -2.159 3.544 58.862 1.00 32.11 H new ATOM 0 HA HIS A 125 -0.347 5.281 59.369 1.00 33.43 H new ATOM 0 HB2 HIS A 125 -2.525 5.870 59.791 1.00 33.63 H new ATOM 0 HB3 HIS A 125 -2.760 4.621 60.695 1.00 33.63 H new ATOM 0 HD1 HIS A 125 -1.014 7.776 60.882 1.00 34.96 H new ATOM 0 HD2 HIS A 125 -2.412 5.116 63.355 1.00 34.32 H new ATOM 0 HE1 HIS A 125 -0.777 8.706 63.042 1.00 34.59 H new ATOM 648 N ILE A 126 -0.427 2.967 61.546 1.00 34.57 N ATOM 649 CA ILE A 126 0.264 2.310 62.658 1.00 35.33 C ATOM 650 C ILE A 126 1.752 2.039 62.403 1.00 35.89 C ATOM 651 O ILE A 126 2.519 1.872 63.347 1.00 36.13 O ATOM 652 CB ILE A 126 -0.484 1.019 63.102 1.00 34.50 C ATOM 653 CG1 ILE A 126 -0.287 0.781 64.591 1.00 35.96 C ATOM 654 CG2 ILE A 126 0.012 -0.199 62.358 1.00 35.32 C ATOM 655 CD1 ILE A 126 -0.987 1.789 65.457 1.00 36.83 C ATOM 0 H ILE A 126 -1.133 2.550 61.286 1.00 34.57 H new ATOM 0 HA ILE A 126 0.244 2.947 63.389 1.00 35.33 H new ATOM 0 HB ILE A 126 -1.423 1.152 62.900 1.00 34.50 H new ATOM 0 HG12 ILE A 126 -0.609 -0.106 64.815 1.00 35.96 H new ATOM 0 HG13 ILE A 126 0.662 0.797 64.791 1.00 35.96 H new ATOM 0 HG21 ILE A 126 -0.474 -0.982 62.659 1.00 35.32 H new ATOM 0 HG22 ILE A 126 -0.129 -0.077 61.406 1.00 35.32 H new ATOM 0 HG23 ILE A 126 0.959 -0.321 62.531 1.00 35.32 H new ATOM 0 HD11 ILE A 126 -0.823 1.583 66.391 1.00 36.83 H new ATOM 0 HD12 ILE A 126 -0.650 2.677 65.258 1.00 36.83 H new ATOM 0 HD13 ILE A 126 -1.941 1.759 65.282 1.00 36.83 H new ATOM 656 N ARG A 127 2.156 2.045 61.130 1.00 37.05 N ATOM 657 CA ARG A 127 3.554 1.830 60.740 1.00 37.95 C ATOM 658 C ARG A 127 4.446 3.003 61.165 1.00 36.69 C ATOM 659 O ARG A 127 5.669 2.880 61.238 1.00 36.18 O ATOM 660 CB ARG A 127 3.672 1.590 59.230 1.00 40.75 C ATOM 661 CG ARG A 127 3.699 0.118 58.847 1.00 44.19 C ATOM 662 CD ARG A 127 4.139 -0.105 57.397 1.00 47.04 C ATOM 663 NE ARG A 127 3.042 0.071 56.448 1.00 50.66 N ATOM 664 CZ ARG A 127 2.084 -0.831 56.228 1.00 51.99 C ATOM 665 NH1 ARG A 127 2.083 -1.993 56.885 1.00 52.90 N ATOM 666 NH2 ARG A 127 1.124 -0.574 55.345 1.00 51.82 N ATOM 0 H ARG A 127 1.625 2.174 60.466 1.00 37.05 H new ATOM 0 HA ARG A 127 3.863 1.037 61.204 1.00 37.95 H new ATOM 0 HB2 ARG A 127 2.926 2.019 58.783 1.00 40.75 H new ATOM 0 HB3 ARG A 127 4.481 2.016 58.905 1.00 40.75 H new ATOM 0 HG2 ARG A 127 4.302 -0.356 59.441 1.00 44.19 H new ATOM 0 HG3 ARG A 127 2.816 -0.263 58.976 1.00 44.19 H new ATOM 0 HD2 ARG A 127 4.854 0.514 57.180 1.00 47.04 H new ATOM 0 HD3 ARG A 127 4.502 -1.000 57.306 1.00 47.04 H new ATOM 0 HE ARG A 127 3.012 0.805 56.001 1.00 50.66 H new ATOM 0 HH11 ARG A 127 2.703 -2.165 57.455 1.00 52.90 H new ATOM 0 HH12 ARG A 127 1.462 -2.570 56.738 1.00 52.90 H new ATOM 0 HH21 ARG A 127 1.122 0.172 54.917 1.00 51.82 H new ATOM 0 HH22 ARG A 127 0.505 -1.154 55.201 1.00 51.82 H new ATOM 667 N ILE A 128 3.820 4.142 61.430 1.00 35.41 N ATOM 668 CA ILE A 128 4.529 5.320 61.887 1.00 34.64 C ATOM 669 C ILE A 128 5.088 5.031 63.287 1.00 33.60 C ATOM 670 O ILE A 128 6.203 5.434 63.612 1.00 33.01 O ATOM 671 CB ILE A 128 3.568 6.530 61.970 1.00 35.18 C ATOM 672 CG1 ILE A 128 3.181 6.999 60.570 1.00 35.31 C ATOM 673 CG2 ILE A 128 4.191 7.676 62.749 1.00 36.14 C ATOM 674 CD1 ILE A 128 2.182 8.134 60.576 1.00 34.44 C ATOM 0 H ILE A 128 2.971 4.251 61.349 1.00 35.41 H new ATOM 0 HA ILE A 128 5.243 5.530 61.265 1.00 34.64 H new ATOM 0 HB ILE A 128 2.770 6.243 62.440 1.00 35.18 H new ATOM 0 HG12 ILE A 128 3.980 7.282 60.098 1.00 35.31 H new ATOM 0 HG13 ILE A 128 2.809 6.251 60.076 1.00 35.31 H new ATOM 0 HG21 ILE A 128 3.569 8.419 62.785 1.00 36.14 H new ATOM 0 HG22 ILE A 128 4.395 7.382 63.650 1.00 36.14 H new ATOM 0 HG23 ILE A 128 5.008 7.960 62.309 1.00 36.14 H new ATOM 0 HD11 ILE A 128 1.975 8.388 59.663 1.00 34.44 H new ATOM 0 HD12 ILE A 128 1.370 7.848 61.024 1.00 34.44 H new ATOM 0 HD13 ILE A 128 2.559 8.895 61.045 1.00 34.44 H new ATOM 675 N HIS A 129 4.321 4.294 64.087 1.00 32.64 N ATOM 676 CA HIS A 129 4.709 3.972 65.460 1.00 32.60 C ATOM 677 C HIS A 129 5.557 2.715 65.629 1.00 32.30 C ATOM 678 O HIS A 129 6.411 2.656 66.513 1.00 31.60 O ATOM 679 CB HIS A 129 3.471 3.879 66.353 1.00 32.29 C ATOM 680 CG HIS A 129 2.516 5.023 66.187 1.00 33.17 C ATOM 681 ND1 HIS A 129 2.825 6.315 66.552 1.00 33.34 N ATOM 682 CD2 HIS A 129 1.247 5.064 65.713 1.00 33.45 C ATOM 683 CE1 HIS A 129 1.790 7.101 66.314 1.00 33.00 C ATOM 684 NE2 HIS A 129 0.819 6.366 65.804 1.00 32.28 N ATOM 0 H HIS A 129 3.562 3.967 63.850 1.00 32.64 H new ATOM 0 HA HIS A 129 5.282 4.706 65.730 1.00 32.60 H new ATOM 0 HB2 HIS A 129 3.006 3.050 66.161 1.00 32.29 H new ATOM 0 HB3 HIS A 129 3.754 3.837 67.280 1.00 32.29 H new ATOM 0 HD1 HIS A 129 3.576 6.571 66.884 1.00 33.34 H new ATOM 0 HD2 HIS A 129 0.757 4.344 65.387 1.00 33.45 H new ATOM 0 HE1 HIS A 129 1.752 8.016 66.478 1.00 33.00 H new ATOM 685 N THR A 130 5.301 1.699 64.810 1.00 32.81 N ATOM 686 CA THR A 130 6.065 0.458 64.898 1.00 33.44 C ATOM 687 C THR A 130 7.387 0.615 64.147 1.00 34.85 C ATOM 688 O THR A 130 8.340 -0.130 64.392 1.00 34.60 O ATOM 689 CB THR A 130 5.293 -0.749 64.325 1.00 33.17 C ATOM 690 OG1 THR A 130 5.420 -0.778 62.894 1.00 33.19 O ATOM 691 CG2 THR A 130 3.816 -0.667 64.710 1.00 32.21 C ATOM 0 H THR A 130 4.694 1.707 64.201 1.00 32.81 H new ATOM 0 HA THR A 130 6.227 0.284 65.839 1.00 33.44 H new ATOM 0 HB THR A 130 5.669 -1.562 64.697 1.00 33.17 H new ATOM 0 HG1 THR A 130 4.999 -1.438 62.588 1.00 33.19 H new ATOM 0 HG21 THR A 130 3.343 -1.431 64.344 1.00 32.21 H new ATOM 0 HG22 THR A 130 3.733 -0.669 65.676 1.00 32.21 H new ATOM 0 HG23 THR A 130 3.434 0.150 64.354 1.00 32.21 H new ATOM 692 N GLY A 131 7.426 1.586 63.231 1.00 34.62 N ATOM 693 CA GLY A 131 8.624 1.846 62.459 1.00 35.93 C ATOM 694 C GLY A 131 8.913 0.853 61.350 1.00 36.79 C ATOM 695 O GLY A 131 10.047 0.768 60.876 1.00 37.27 O ATOM 0 H GLY A 131 6.763 2.102 63.047 1.00 34.62 H new ATOM 0 HA2 GLY A 131 8.553 2.731 62.069 1.00 35.93 H new ATOM 0 HA3 GLY A 131 9.383 1.862 63.063 1.00 35.93 H new ATOM 696 N GLN A 132 7.897 0.104 60.935 1.00 37.42 N ATOM 697 CA GLN A 132 8.050 -0.886 59.875 1.00 38.61 C ATOM 698 C GLN A 132 8.147 -0.235 58.490 1.00 38.46 C ATOM 699 O GLN A 132 7.298 0.575 58.113 1.00 38.61 O ATOM 700 CB GLN A 132 6.871 -1.866 59.891 1.00 40.38 C ATOM 701 CG GLN A 132 7.013 -3.018 58.897 1.00 44.04 C ATOM 702 CD GLN A 132 5.703 -3.760 58.597 1.00 46.43 C ATOM 703 OE1 GLN A 132 5.675 -4.653 57.743 1.00 47.88 O ATOM 704 NE2 GLN A 132 4.621 -3.391 59.284 1.00 46.88 N ATOM 0 H GLN A 132 7.102 0.155 61.259 1.00 37.42 H new ATOM 0 HA GLN A 132 8.879 -1.361 60.045 1.00 38.61 H new ATOM 0 HB2 GLN A 132 6.777 -2.231 60.785 1.00 40.38 H new ATOM 0 HB3 GLN A 132 6.055 -1.380 59.695 1.00 40.38 H new ATOM 0 HG2 GLN A 132 7.374 -2.671 58.066 1.00 44.04 H new ATOM 0 HG3 GLN A 132 7.660 -3.653 59.244 1.00 44.04 H new ATOM 0 HE21 GLN A 132 4.677 -2.765 59.871 1.00 46.88 H new ATOM 0 HE22 GLN A 132 3.867 -3.779 59.140 1.00 46.88 H new ATOM 705 N LYS A 133 9.185 -0.600 57.738 1.00 37.92 N ATOM 706 CA LYS A 133 9.401 -0.087 56.384 1.00 36.44 C ATOM 707 C LYS A 133 9.643 -1.310 55.476 1.00 35.54 C ATOM 708 O LYS A 133 10.780 -1.660 55.161 1.00 35.39 O ATOM 709 CB LYS A 133 10.586 0.887 56.375 1.00 35.71 C ATOM 710 CG LYS A 133 10.332 2.201 57.126 1.00 34.59 C ATOM 711 CD LYS A 133 11.542 3.112 57.057 1.00 35.36 C ATOM 712 CE LYS A 133 11.335 4.428 57.777 1.00 36.31 C ATOM 713 NZ LYS A 133 12.566 5.272 57.706 1.00 37.38 N ATOM 0 H LYS A 133 9.787 -1.155 58.000 1.00 37.92 H new ATOM 0 HA LYS A 133 8.634 0.411 56.060 1.00 36.44 H new ATOM 0 HB2 LYS A 133 11.356 0.446 56.768 1.00 35.71 H new ATOM 0 HB3 LYS A 133 10.815 1.092 55.455 1.00 35.71 H new ATOM 0 HG2 LYS A 133 9.562 2.651 56.744 1.00 34.59 H new ATOM 0 HG3 LYS A 133 10.119 2.011 58.053 1.00 34.59 H new ATOM 0 HD2 LYS A 133 12.306 2.655 57.442 1.00 35.36 H new ATOM 0 HD3 LYS A 133 11.755 3.288 56.127 1.00 35.36 H new ATOM 0 HE2 LYS A 133 10.588 4.904 57.381 1.00 36.31 H new ATOM 0 HE3 LYS A 133 11.105 4.261 58.705 1.00 36.31 H new ATOM 0 HZ1 LYS A 133 12.345 6.128 57.806 1.00 37.38 H new ATOM 0 HZ2 LYS A 133 13.128 5.033 58.354 1.00 37.38 H new ATOM 0 HZ3 LYS A 133 12.959 5.158 56.916 1.00 37.38 H new ATOM 714 N PRO A 134 8.552 -1.928 54.992 1.00 34.33 N ATOM 715 CA PRO A 134 8.486 -3.118 54.130 1.00 34.48 C ATOM 716 C PRO A 134 9.017 -3.076 52.713 1.00 33.60 C ATOM 717 O PRO A 134 9.168 -4.121 52.099 1.00 34.90 O ATOM 718 CB PRO A 134 6.982 -3.440 54.094 1.00 34.25 C ATOM 719 CG PRO A 134 6.388 -2.626 55.216 1.00 34.99 C ATOM 720 CD PRO A 134 7.205 -1.378 55.194 1.00 34.43 C ATOM 0 HA PRO A 134 9.091 -3.770 54.518 1.00 34.48 H new ATOM 0 HB2 PRO A 134 6.591 -3.200 53.239 1.00 34.25 H new ATOM 0 HB3 PRO A 134 6.822 -4.388 54.223 1.00 34.25 H new ATOM 0 HG2 PRO A 134 5.447 -2.442 55.067 1.00 34.99 H new ATOM 0 HG3 PRO A 134 6.456 -3.085 56.068 1.00 34.99 H new ATOM 0 HD2 PRO A 134 6.942 -0.780 54.477 1.00 34.43 H new ATOM 0 HD3 PRO A 134 7.133 -0.878 56.022 1.00 34.43 H new ATOM 721 N PHE A 135 9.284 -1.894 52.182 1.00 33.39 N ATOM 722 CA PHE A 135 9.734 -1.783 50.800 1.00 33.59 C ATOM 723 C PHE A 135 11.157 -1.288 50.711 1.00 33.43 C ATOM 724 O PHE A 135 11.485 -0.243 51.247 1.00 34.72 O ATOM 725 CB PHE A 135 8.783 -0.858 50.036 1.00 32.87 C ATOM 726 CG PHE A 135 7.332 -1.192 50.247 1.00 33.35 C ATOM 727 CD1 PHE A 135 6.689 -2.118 49.428 1.00 33.39 C ATOM 728 CD2 PHE A 135 6.624 -0.629 51.303 1.00 32.52 C ATOM 729 CE1 PHE A 135 5.362 -2.480 49.664 1.00 33.08 C ATOM 730 CE2 PHE A 135 5.302 -0.985 51.546 1.00 32.83 C ATOM 731 CZ PHE A 135 4.670 -1.912 50.726 1.00 32.06 C ATOM 0 H PHE A 135 9.212 -1.146 52.600 1.00 33.39 H new ATOM 0 HA PHE A 135 9.721 -2.666 50.398 1.00 33.59 H new ATOM 0 HB2 PHE A 135 8.941 0.058 50.313 1.00 32.87 H new ATOM 0 HB3 PHE A 135 8.985 -0.907 49.089 1.00 32.87 H new ATOM 0 HD1 PHE A 135 7.150 -2.499 48.716 1.00 33.39 H new ATOM 0 HD2 PHE A 135 7.040 -0.006 51.854 1.00 32.52 H new ATOM 0 HE1 PHE A 135 4.942 -3.100 49.112 1.00 33.08 H new ATOM 0 HE2 PHE A 135 4.841 -0.603 52.257 1.00 32.83 H new ATOM 0 HZ PHE A 135 3.786 -2.151 50.888 1.00 32.06 H new ATOM 732 N GLN A 136 11.993 -2.028 49.997 1.00 33.77 N ATOM 733 CA GLN A 136 13.398 -1.667 49.870 1.00 34.21 C ATOM 734 C GLN A 136 13.884 -1.305 48.472 1.00 33.58 C ATOM 735 O GLN A 136 13.444 -1.876 47.465 1.00 32.54 O ATOM 736 CB GLN A 136 14.280 -2.788 50.439 1.00 35.11 C ATOM 737 CG GLN A 136 15.766 -2.472 50.463 1.00 35.94 C ATOM 738 CD GLN A 136 16.565 -3.517 51.201 1.00 37.71 C ATOM 739 OE1 GLN A 136 16.337 -4.716 51.031 1.00 39.17 O ATOM 740 NE2 GLN A 136 17.493 -3.074 52.049 1.00 36.86 N ATOM 0 H GLN A 136 11.767 -2.744 49.577 1.00 33.77 H new ATOM 0 HA GLN A 136 13.477 -0.846 50.380 1.00 34.21 H new ATOM 0 HB2 GLN A 136 13.989 -2.986 51.343 1.00 35.11 H new ATOM 0 HB3 GLN A 136 14.140 -3.592 49.914 1.00 35.11 H new ATOM 0 HG2 GLN A 136 16.094 -2.401 49.553 1.00 35.94 H new ATOM 0 HG3 GLN A 136 15.904 -1.608 50.882 1.00 35.94 H new ATOM 0 HE21 GLN A 136 17.623 -2.229 52.141 1.00 36.86 H new ATOM 0 HE22 GLN A 136 17.961 -3.633 52.504 1.00 36.86 H new ATOM 741 N CYS A 137 14.805 -0.344 48.438 1.00 32.52 N ATOM 742 CA CYS A 137 15.399 0.108 47.202 1.00 32.38 C ATOM 743 C CYS A 137 16.593 -0.803 46.907 1.00 32.54 C ATOM 744 O CYS A 137 17.526 -0.939 47.704 1.00 31.44 O ATOM 745 CB CYS A 137 15.830 1.573 47.307 1.00 32.13 C ATOM 746 SG CYS A 137 16.557 2.240 45.792 1.00 28.44 S ATOM 0 H CYS A 137 15.098 0.060 49.138 1.00 32.52 H new ATOM 0 HA CYS A 137 14.756 0.060 46.478 1.00 32.38 H new ATOM 0 HB2 CYS A 137 15.059 2.110 47.548 1.00 32.13 H new ATOM 0 HB3 CYS A 137 16.473 1.660 48.028 1.00 32.13 H new ATOM 747 N ARG A 138 16.468 -1.502 45.790 1.00 32.87 N ATOM 748 CA ARG A 138 17.483 -2.435 45.339 1.00 34.08 C ATOM 749 C ARG A 138 18.800 -1.739 45.036 1.00 33.60 C ATOM 750 O ARG A 138 19.879 -2.294 45.223 1.00 34.40 O ATOM 751 CB ARG A 138 16.929 -3.107 44.090 1.00 36.63 C ATOM 752 CG ARG A 138 17.957 -3.668 43.126 1.00 39.54 C ATOM 753 CD ARG A 138 17.335 -3.903 41.758 1.00 40.10 C ATOM 754 NE ARG A 138 16.026 -4.537 41.846 1.00 39.91 N ATOM 755 CZ ARG A 138 15.652 -5.581 41.120 1.00 40.37 C ATOM 756 NH1 ARG A 138 16.498 -6.125 40.247 1.00 41.30 N ATOM 757 NH2 ARG A 138 14.428 -6.072 41.265 1.00 40.57 N ATOM 0 H ARG A 138 15.786 -1.447 45.269 1.00 32.87 H new ATOM 0 HA ARG A 138 17.677 -3.083 46.035 1.00 34.08 H new ATOM 0 HB2 ARG A 138 16.342 -3.829 44.366 1.00 36.63 H new ATOM 0 HB3 ARG A 138 16.382 -2.463 43.613 1.00 36.63 H new ATOM 0 HG2 ARG A 138 18.703 -3.053 43.046 1.00 39.54 H new ATOM 0 HG3 ARG A 138 18.312 -4.501 43.473 1.00 39.54 H new ATOM 0 HD2 ARG A 138 17.251 -3.056 41.294 1.00 40.10 H new ATOM 0 HD3 ARG A 138 17.926 -4.460 41.228 1.00 40.10 H new ATOM 0 HE ARG A 138 15.459 -4.213 42.405 1.00 39.91 H new ATOM 0 HH11 ARG A 138 17.288 -5.799 40.154 1.00 41.30 H new ATOM 0 HH12 ARG A 138 16.254 -6.802 39.777 1.00 41.30 H new ATOM 0 HH21 ARG A 138 13.884 -5.713 41.827 1.00 40.57 H new ATOM 0 HH22 ARG A 138 14.178 -6.749 40.797 1.00 40.57 H new ATOM 758 N ILE A 139 18.698 -0.476 44.665 1.00 32.76 N ATOM 759 CA ILE A 139 19.838 0.326 44.296 1.00 31.48 C ATOM 760 C ILE A 139 20.654 0.813 45.472 1.00 32.25 C ATOM 761 O ILE A 139 21.853 0.517 45.553 1.00 34.21 O ATOM 762 CB AILE A 139 19.396 1.501 43.400 0.50 30.74 C ATOM 763 CB BILE A 139 19.391 1.544 43.459 0.50 30.86 C ATOM 764 CG1AILE A 139 18.679 0.948 42.155 0.50 29.74 C ATOM 765 CG1BILE A 139 18.548 1.086 42.259 0.50 29.92 C ATOM 766 CG2AILE A 139 20.596 2.380 43.051 0.50 30.28 C ATOM 767 CG2BILE A 139 20.600 2.352 43.031 0.50 30.36 C ATOM 768 CD1AILE A 139 18.047 1.979 41.263 0.50 28.68 C ATOM 769 CD1BILE A 139 19.263 0.167 41.299 0.50 29.31 C ATOM 0 H ILE A 139 17.949 -0.056 44.621 1.00 32.76 H new ATOM 0 HA ILE A 139 20.431 -0.256 43.796 1.00 31.48 H new ATOM 0 HB AILE A 139 18.767 2.067 43.873 0.50 30.86 H new ATOM 0 HB BILE A 139 18.831 2.121 44.002 0.50 30.86 H new ATOM 0 HG12AILE A 139 19.318 0.438 41.632 0.50 29.92 H new ATOM 0 HG12BILE A 139 17.755 0.635 42.590 0.50 29.92 H new ATOM 0 HG13AILE A 139 17.991 0.328 42.445 0.50 29.92 H new ATOM 0 HG13BILE A 139 18.247 1.870 41.773 0.50 29.92 H new ATOM 0 HG21AILE A 139 20.306 3.115 42.488 0.50 30.36 H new ATOM 0 HG21BILE A 139 20.310 3.115 42.506 0.50 30.36 H new ATOM 0 HG22AILE A 139 20.987 2.732 43.866 0.50 30.36 H new ATOM 0 HG22BILE A 139 21.076 2.663 43.817 0.50 30.36 H new ATOM 0 HG23AILE A 139 21.258 1.852 42.577 0.50 30.36 H new ATOM 0 HG23BILE A 139 21.188 1.796 42.496 0.50 30.36 H new ATOM 0 HD11AILE A 139 17.622 1.539 40.510 0.50 29.31 H new ATOM 0 HD11BILE A 139 18.664 -0.074 40.575 0.50 29.31 H new ATOM 0 HD12AILE A 139 17.382 2.476 41.764 0.50 29.31 H new ATOM 0 HD12BILE A 139 20.042 0.619 40.938 0.50 29.31 H new ATOM 0 HD13AILE A 139 18.729 2.588 40.938 0.50 29.31 H new ATOM 0 HD13BILE A 139 19.543 -0.635 41.767 0.50 29.31 H new ATOM 770 N CYS A 140 20.022 1.519 46.404 1.00 31.84 N ATOM 771 CA CYS A 140 20.763 2.058 47.537 1.00 31.37 C ATOM 772 C CYS A 140 20.448 1.370 48.851 1.00 31.54 C ATOM 773 O CYS A 140 20.875 1.821 49.909 1.00 32.53 O ATOM 774 CB CYS A 140 20.510 3.560 47.666 1.00 30.55 C ATOM 775 SG CYS A 140 18.876 3.958 48.300 1.00 28.71 S ATOM 0 H CYS A 140 19.180 1.695 46.400 1.00 31.84 H new ATOM 0 HA CYS A 140 21.700 1.889 47.353 1.00 31.37 H new ATOM 0 HB2 CYS A 140 21.180 3.945 48.253 1.00 30.55 H new ATOM 0 HB3 CYS A 140 20.622 3.976 46.797 1.00 30.55 H new ATOM 776 N MET A 141 19.678 0.293 48.781 1.00 31.81 N ATOM 777 CA MET A 141 19.290 -0.480 49.955 1.00 32.35 C ATOM 778 C MET A 141 18.467 0.241 51.031 1.00 31.50 C ATOM 779 O MET A 141 18.200 -0.334 52.085 1.00 31.47 O ATOM 780 CB MET A 141 20.509 -1.171 50.586 1.00 33.98 C ATOM 781 CG MET A 141 21.236 -2.111 49.638 1.00 36.69 C ATOM 782 SD MET A 141 20.141 -2.924 48.428 1.00 40.72 S ATOM 783 CE MET A 141 19.391 -4.168 49.389 1.00 38.09 C ATOM 0 H MET A 141 19.362 -0.014 48.043 1.00 31.81 H new ATOM 0 HA MET A 141 18.670 -1.132 49.592 1.00 32.35 H new ATOM 0 HB2 MET A 141 21.130 -0.494 50.897 1.00 33.98 H new ATOM 0 HB3 MET A 141 20.220 -1.670 51.366 1.00 33.98 H new ATOM 0 HG2 MET A 141 21.918 -1.613 49.161 1.00 36.69 H new ATOM 0 HG3 MET A 141 21.693 -2.791 50.157 1.00 36.69 H new ATOM 0 HE1 MET A 141 18.457 -4.251 49.140 1.00 38.09 H new ATOM 0 HE2 MET A 141 19.842 -5.013 49.235 1.00 38.09 H new ATOM 0 HE3 MET A 141 19.455 -3.935 50.328 1.00 38.09 H new ATOM 784 N ARG A 142 18.071 1.487 50.781 1.00 30.57 N ATOM 785 CA ARG A 142 17.254 2.229 51.754 1.00 30.04 C ATOM 786 C ARG A 142 15.820 1.684 51.843 1.00 29.54 C ATOM 787 O ARG A 142 15.226 1.341 50.828 1.00 29.77 O ATOM 788 CB ARG A 142 17.204 3.719 51.410 1.00 28.70 C ATOM 789 CG ARG A 142 16.364 4.533 52.378 1.00 28.14 C ATOM 790 CD ARG A 142 16.353 6.008 52.017 1.00 27.51 C ATOM 791 NE ARG A 142 15.572 6.756 52.997 1.00 27.69 N ATOM 792 CZ ARG A 142 15.633 8.069 53.192 1.00 26.14 C ATOM 793 NH1 ARG A 142 16.439 8.836 52.472 1.00 25.17 N ATOM 794 NH2 ARG A 142 14.931 8.603 54.172 1.00 26.86 N ATOM 0 H ARG A 142 18.260 1.921 50.063 1.00 30.57 H new ATOM 0 HA ARG A 142 17.682 2.109 52.616 1.00 30.04 H new ATOM 0 HB2 ARG A 142 18.107 4.072 51.400 1.00 28.70 H new ATOM 0 HB3 ARG A 142 16.848 3.826 50.514 1.00 28.70 H new ATOM 0 HG2 ARG A 142 15.455 4.194 52.381 1.00 28.14 H new ATOM 0 HG3 ARG A 142 16.710 4.423 53.277 1.00 28.14 H new ATOM 0 HD2 ARG A 142 17.261 6.348 51.988 1.00 27.51 H new ATOM 0 HD3 ARG A 142 15.976 6.129 51.131 1.00 27.51 H new ATOM 0 HE ARG A 142 15.027 6.310 53.490 1.00 27.69 H new ATOM 0 HH11 ARG A 142 16.936 8.486 51.864 1.00 25.17 H new ATOM 0 HH12 ARG A 142 16.465 9.684 52.613 1.00 25.17 H new ATOM 0 HH21 ARG A 142 14.443 8.103 54.674 1.00 26.86 H new ATOM 0 HH22 ARG A 142 14.961 9.451 54.310 1.00 26.86 H new ATOM 795 N ASN A 143 15.271 1.625 53.057 1.00 29.76 N ATOM 796 CA ASN A 143 13.908 1.122 53.286 1.00 29.44 C ATOM 797 C ASN A 143 12.880 2.248 53.348 1.00 28.00 C ATOM 798 O ASN A 143 13.186 3.358 53.799 1.00 26.71 O ATOM 799 CB ASN A 143 13.840 0.288 54.577 1.00 30.50 C ATOM 800 CG ASN A 143 14.887 -0.808 54.617 1.00 31.47 C ATOM 801 OD1 ASN A 143 15.844 -0.736 55.389 1.00 33.27 O ATOM 802 ND2 ASN A 143 14.742 -1.801 53.749 1.00 31.29 N ATOM 0 H ASN A 143 15.676 1.875 53.773 1.00 29.76 H new ATOM 0 HA ASN A 143 13.689 0.559 52.527 1.00 29.44 H new ATOM 0 HB2 ASN A 143 13.958 0.872 55.342 1.00 30.50 H new ATOM 0 HB3 ASN A 143 12.958 -0.108 54.656 1.00 30.50 H new ATOM 0 HD21 ASN A 143 15.330 -2.428 53.710 1.00 31.29 H new ATOM 0 HD22 ASN A 143 14.060 -1.818 53.225 1.00 31.29 H new ATOM 803 N PHE A 144 11.656 1.932 52.923 1.00 27.05 N ATOM 804 CA PHE A 144 10.554 2.896 52.886 1.00 27.05 C ATOM 805 C PHE A 144 9.263 2.321 53.436 1.00 27.24 C ATOM 806 O PHE A 144 9.005 1.134 53.308 1.00 27.13 O ATOM 807 CB PHE A 144 10.323 3.381 51.453 1.00 27.04 C ATOM 808 CG PHE A 144 11.470 4.161 50.894 1.00 26.82 C ATOM 809 CD1 PHE A 144 11.611 5.512 51.185 1.00 27.41 C ATOM 810 CD2 PHE A 144 12.432 3.539 50.103 1.00 26.94 C ATOM 811 CE1 PHE A 144 12.700 6.235 50.696 1.00 26.97 C ATOM 812 CE2 PHE A 144 13.521 4.249 49.611 1.00 25.78 C ATOM 813 CZ PHE A 144 13.652 5.599 49.910 1.00 26.24 C ATOM 0 H PHE A 144 11.440 1.147 52.646 1.00 27.05 H new ATOM 0 HA PHE A 144 10.812 3.640 53.452 1.00 27.05 H new ATOM 0 HB2 PHE A 144 10.154 2.614 50.883 1.00 27.04 H new ATOM 0 HB3 PHE A 144 9.525 3.932 51.431 1.00 27.04 H new ATOM 0 HD1 PHE A 144 10.974 5.939 51.711 1.00 27.41 H new ATOM 0 HD2 PHE A 144 12.345 2.635 49.901 1.00 26.94 H new ATOM 0 HE1 PHE A 144 12.788 7.139 50.896 1.00 26.97 H new ATOM 0 HE2 PHE A 144 14.158 3.823 49.085 1.00 25.78 H new ATOM 0 HZ PHE A 144 14.379 6.078 49.583 1.00 26.24 H new ATOM 814 N SER A 145 8.435 3.177 54.023 1.00 27.84 N ATOM 815 CA SER A 145 7.165 2.737 54.593 1.00 29.05 C ATOM 816 C SER A 145 6.110 2.431 53.534 1.00 29.90 C ATOM 817 O SER A 145 5.230 1.593 53.753 1.00 30.63 O ATOM 818 CB SER A 145 6.613 3.792 55.569 1.00 28.69 C ATOM 819 OG SER A 145 6.278 5.007 54.910 1.00 27.48 O ATOM 0 H SER A 145 8.589 4.019 54.102 1.00 27.84 H new ATOM 0 HA SER A 145 7.354 1.912 55.066 1.00 29.05 H new ATOM 0 HB2 SER A 145 5.826 3.439 56.014 1.00 28.69 H new ATOM 0 HB3 SER A 145 7.272 3.970 56.258 1.00 28.69 H new ATOM 0 HG SER A 145 5.750 5.450 55.390 1.00 27.48 H new ATOM 820 N ARG A 146 6.235 3.062 52.367 1.00 30.20 N ATOM 821 CA ARG A 146 5.246 2.891 51.305 1.00 29.65 C ATOM 822 C ARG A 146 5.792 2.592 49.909 1.00 29.77 C ATOM 823 O ARG A 146 6.765 3.202 49.465 1.00 28.64 O ATOM 824 CB ARG A 146 4.354 4.130 51.282 1.00 29.43 C ATOM 825 CG ARG A 146 3.507 4.274 52.542 1.00 29.06 C ATOM 826 CD ARG A 146 2.951 5.655 52.703 1.00 27.94 C ATOM 827 NE ARG A 146 2.273 6.097 51.496 1.00 27.44 N ATOM 828 CZ ARG A 146 1.281 6.976 51.479 1.00 27.25 C ATOM 829 NH1 ARG A 146 0.835 7.510 52.610 1.00 27.55 N ATOM 830 NH2 ARG A 146 0.763 7.356 50.323 1.00 27.37 N ATOM 0 H ARG A 146 6.883 3.592 52.171 1.00 30.20 H new ATOM 0 HA ARG A 146 4.752 2.086 51.526 1.00 29.65 H new ATOM 0 HB2 ARG A 146 4.908 4.920 51.178 1.00 29.43 H new ATOM 0 HB3 ARG A 146 3.770 4.089 50.508 1.00 29.43 H new ATOM 0 HG2 ARG A 146 2.777 3.636 52.512 1.00 29.06 H new ATOM 0 HG3 ARG A 146 4.046 4.053 53.318 1.00 29.06 H new ATOM 0 HD2 ARG A 146 2.331 5.671 53.449 1.00 27.94 H new ATOM 0 HD3 ARG A 146 3.669 6.272 52.917 1.00 27.94 H new ATOM 0 HE ARG A 146 2.532 5.767 50.745 1.00 27.44 H new ATOM 0 HH11 ARG A 146 1.190 7.286 53.361 1.00 27.55 H new ATOM 0 HH12 ARG A 146 0.191 8.080 52.592 1.00 27.55 H new ATOM 0 HH21 ARG A 146 1.070 7.033 49.587 1.00 27.37 H new ATOM 0 HH22 ARG A 146 0.119 7.926 50.307 1.00 27.37 H new ATOM 831 N SER A 147 5.134 1.659 49.216 1.00 30.03 N ATOM 832 CA SER A 147 5.539 1.255 47.869 1.00 30.56 C ATOM 833 C SER A 147 5.454 2.382 46.842 1.00 30.28 C ATOM 834 O SER A 147 6.213 2.413 45.871 1.00 31.51 O ATOM 835 CB SER A 147 4.714 0.056 47.388 1.00 30.98 C ATOM 836 OG SER A 147 3.340 0.367 47.338 1.00 31.74 O ATOM 0 H SER A 147 4.442 1.244 49.514 1.00 30.03 H new ATOM 0 HA SER A 147 6.474 1.006 47.940 1.00 30.56 H new ATOM 0 HB2 SER A 147 5.018 -0.217 46.508 1.00 30.98 H new ATOM 0 HB3 SER A 147 4.856 -0.697 47.983 1.00 30.98 H new ATOM 0 HG SER A 147 3.172 0.780 46.626 1.00 31.74 H new ATOM 837 N ASP A 148 4.518 3.296 47.042 1.00 29.18 N ATOM 838 CA ASP A 148 4.377 4.399 46.115 1.00 27.99 C ATOM 839 C ASP A 148 5.554 5.351 46.285 1.00 26.25 C ATOM 840 O ASP A 148 6.065 5.886 45.309 1.00 25.79 O ATOM 841 CB ASP A 148 3.016 5.115 46.286 1.00 28.11 C ATOM 842 CG ASP A 148 2.830 5.734 47.665 1.00 28.46 C ATOM 843 OD1 ASP A 148 3.198 5.105 48.669 1.00 30.45 O ATOM 844 OD2 ASP A 148 2.295 6.855 47.754 1.00 28.84 O ATOM 0 H ASP A 148 3.963 3.295 47.699 1.00 29.18 H new ATOM 0 HA ASP A 148 4.387 4.056 45.208 1.00 27.99 H new ATOM 0 HB2 ASP A 148 2.936 5.809 45.613 1.00 28.11 H new ATOM 0 HB3 ASP A 148 2.301 4.480 46.124 1.00 28.11 H new ATOM 845 N HIS A 149 6.003 5.525 47.525 1.00 25.47 N ATOM 846 CA HIS A 149 7.127 6.411 47.813 1.00 25.24 C ATOM 847 C HIS A 149 8.427 5.746 47.414 1.00 25.13 C ATOM 848 O HIS A 149 9.432 6.414 47.170 1.00 24.30 O ATOM 849 CB HIS A 149 7.138 6.803 49.281 1.00 24.17 C ATOM 850 CG HIS A 149 5.963 7.635 49.676 1.00 24.05 C ATOM 851 ND1 HIS A 149 5.261 8.396 48.770 1.00 23.59 N ATOM 852 CD2 HIS A 149 5.375 7.842 50.877 1.00 24.22 C ATOM 853 CE1 HIS A 149 4.293 9.041 49.395 1.00 24.43 C ATOM 854 NE2 HIS A 149 4.340 8.721 50.675 1.00 24.29 N ATOM 0 H HIS A 149 5.669 5.137 48.216 1.00 25.47 H new ATOM 0 HA HIS A 149 7.028 7.223 47.292 1.00 25.24 H new ATOM 0 HB2 HIS A 149 7.155 6.000 49.824 1.00 24.17 H new ATOM 0 HB3 HIS A 149 7.953 7.293 49.473 1.00 24.17 H new ATOM 0 HD2 HIS A 149 5.625 7.460 51.687 1.00 24.22 H new ATOM 0 HE1 HIS A 149 3.683 9.621 49.001 1.00 24.43 H new ATOM 0 HE2 HIS A 149 3.808 9.015 51.284 1.00 24.29 H new ATOM 855 N LEU A 150 8.400 4.419 47.356 1.00 25.01 N ATOM 856 CA LEU A 150 9.564 3.677 46.933 1.00 24.96 C ATOM 857 C LEU A 150 9.703 3.894 45.424 1.00 24.78 C ATOM 858 O LEU A 150 10.802 4.141 44.923 1.00 24.86 O ATOM 859 CB LEU A 150 9.402 2.192 47.256 1.00 24.71 C ATOM 860 CG LEU A 150 10.446 1.305 46.572 1.00 25.22 C ATOM 861 CD1 LEU A 150 11.855 1.670 47.036 1.00 24.84 C ATOM 862 CD2 LEU A 150 10.132 -0.148 46.851 1.00 25.35 C ATOM 0 H LEU A 150 7.717 3.937 47.558 1.00 25.01 H new ATOM 0 HA LEU A 150 10.358 3.983 47.398 1.00 24.96 H new ATOM 0 HB2 LEU A 150 9.461 2.068 48.216 1.00 24.71 H new ATOM 0 HB3 LEU A 150 8.516 1.904 46.987 1.00 24.71 H new ATOM 0 HG LEU A 150 10.412 1.451 45.614 1.00 25.22 H new ATOM 0 HD11 LEU A 150 12.500 1.098 46.592 1.00 24.84 H new ATOM 0 HD12 LEU A 150 12.039 2.596 46.815 1.00 24.84 H new ATOM 0 HD13 LEU A 150 11.922 1.548 47.996 1.00 24.84 H new ATOM 0 HD21 LEU A 150 10.793 -0.711 46.418 1.00 25.35 H new ATOM 0 HD22 LEU A 150 10.151 -0.305 47.808 1.00 25.35 H new ATOM 0 HD23 LEU A 150 9.251 -0.361 46.506 1.00 25.35 H new ATOM 863 N THR A 151 8.573 3.841 44.722 1.00 24.39 N ATOM 864 CA THR A 151 8.535 4.038 43.277 1.00 24.69 C ATOM 865 C THR A 151 9.120 5.388 42.873 1.00 25.11 C ATOM 866 O THR A 151 9.918 5.469 41.935 1.00 25.87 O ATOM 867 CB THR A 151 7.086 3.939 42.736 1.00 25.27 C ATOM 868 OG1 THR A 151 6.563 2.637 43.016 1.00 25.35 O ATOM 869 CG2 THR A 151 7.037 4.201 41.222 1.00 24.11 C ATOM 0 H THR A 151 7.803 3.689 45.074 1.00 24.39 H new ATOM 0 HA THR A 151 9.076 3.332 42.889 1.00 24.69 H new ATOM 0 HB THR A 151 6.548 4.615 43.177 1.00 25.27 H new ATOM 0 HG1 THR A 151 6.468 2.546 43.846 1.00 25.35 H new ATOM 0 HG21 THR A 151 6.121 4.133 40.911 1.00 24.11 H new ATOM 0 HG22 THR A 151 7.376 5.091 41.036 1.00 24.11 H new ATOM 0 HG23 THR A 151 7.584 3.545 40.762 1.00 24.11 H new ATOM 870 N THR A 152 8.753 6.446 43.590 1.00 24.97 N ATOM 871 CA THR A 152 9.261 7.762 43.255 1.00 25.64 C ATOM 872 C THR A 152 10.696 7.992 43.704 1.00 26.24 C ATOM 873 O THR A 152 11.410 8.768 43.074 1.00 27.17 O ATOM 874 CB THR A 152 8.349 8.917 43.740 1.00 25.12 C ATOM 875 OG1 THR A 152 8.267 8.927 45.167 1.00 26.22 O ATOM 876 CG2 THR A 152 6.958 8.775 43.149 1.00 25.49 C ATOM 0 H THR A 152 8.219 6.421 44.264 1.00 24.97 H new ATOM 0 HA THR A 152 9.256 7.775 42.285 1.00 25.64 H new ATOM 0 HB THR A 152 8.737 9.755 43.442 1.00 25.12 H new ATOM 0 HG1 THR A 152 8.405 9.706 45.450 1.00 26.22 H new ATOM 0 HG21 THR A 152 6.398 9.503 43.460 1.00 25.49 H new ATOM 0 HG22 THR A 152 7.013 8.801 42.181 1.00 25.49 H new ATOM 0 HG23 THR A 152 6.573 7.930 43.428 1.00 25.49 H new ATOM 877 N HIS A 153 11.130 7.310 44.762 1.00 26.22 N ATOM 878 CA HIS A 153 12.496 7.467 45.241 1.00 25.59 C ATOM 879 C HIS A 153 13.467 6.938 44.204 1.00 26.69 C ATOM 880 O HIS A 153 14.495 7.540 43.935 1.00 27.67 O ATOM 881 CB HIS A 153 12.705 6.715 46.542 1.00 25.42 C ATOM 882 CG HIS A 153 14.150 6.510 46.881 1.00 25.99 C ATOM 883 ND1 HIS A 153 14.936 7.503 47.420 1.00 25.87 N ATOM 884 CD2 HIS A 153 14.960 5.436 46.724 1.00 26.08 C ATOM 885 CE1 HIS A 153 16.168 7.056 47.581 1.00 26.10 C ATOM 886 NE2 HIS A 153 16.210 5.804 47.165 1.00 26.49 N ATOM 0 H HIS A 153 10.651 6.755 45.212 1.00 26.22 H new ATOM 0 HA HIS A 153 12.655 8.411 45.395 1.00 25.59 H new ATOM 0 HB2 HIS A 153 12.276 7.202 47.263 1.00 25.42 H new ATOM 0 HB3 HIS A 153 12.267 5.851 46.483 1.00 25.42 H new ATOM 0 HD1 HIS A 153 14.666 8.294 47.621 1.00 25.87 H new ATOM 0 HD2 HIS A 153 14.717 4.606 46.382 1.00 26.08 H new ATOM 0 HE1 HIS A 153 16.883 7.540 47.928 1.00 26.10 H new ATOM 887 N ILE A 154 13.129 5.797 43.623 1.00 28.13 N ATOM 888 CA ILE A 154 13.958 5.162 42.613 1.00 28.04 C ATOM 889 C ILE A 154 14.156 6.040 41.383 1.00 28.76 C ATOM 890 O ILE A 154 15.105 5.838 40.621 1.00 29.29 O ATOM 891 CB ILE A 154 13.357 3.814 42.216 1.00 28.55 C ATOM 892 CG1 ILE A 154 13.343 2.899 43.437 1.00 28.52 C ATOM 893 CG2 ILE A 154 14.136 3.178 41.067 1.00 29.25 C ATOM 894 CD1 ILE A 154 12.765 1.531 43.158 1.00 30.25 C ATOM 0 H ILE A 154 12.407 5.367 43.805 1.00 28.13 H new ATOM 0 HA ILE A 154 14.835 5.024 43.004 1.00 28.04 H new ATOM 0 HB ILE A 154 12.449 3.950 41.904 1.00 28.55 H new ATOM 0 HG12 ILE A 154 14.249 2.798 43.767 1.00 28.52 H new ATOM 0 HG13 ILE A 154 12.829 3.321 44.143 1.00 28.52 H new ATOM 0 HG21 ILE A 154 13.734 2.326 40.836 1.00 29.25 H new ATOM 0 HG22 ILE A 154 14.113 3.766 40.296 1.00 29.25 H new ATOM 0 HG23 ILE A 154 15.057 3.038 41.338 1.00 29.25 H new ATOM 0 HD11 ILE A 154 12.784 1.000 43.969 1.00 30.25 H new ATOM 0 HD12 ILE A 154 11.849 1.623 42.853 1.00 30.25 H new ATOM 0 HD13 ILE A 154 13.291 1.091 42.472 1.00 30.25 H new ATOM 895 N ARG A 155 13.271 7.017 41.186 1.00 28.31 N ATOM 896 CA ARG A 155 13.407 7.916 40.048 1.00 28.11 C ATOM 897 C ARG A 155 14.550 8.903 40.272 1.00 28.23 C ATOM 898 O ARG A 155 15.051 9.510 39.328 1.00 29.44 O ATOM 899 CB ARG A 155 12.102 8.651 39.763 1.00 29.05 C ATOM 900 CG ARG A 155 10.998 7.739 39.295 1.00 28.47 C ATOM 901 CD ARG A 155 9.836 8.496 38.688 1.00 29.65 C ATOM 902 NE ARG A 155 8.860 7.537 38.178 1.00 30.84 N ATOM 903 CZ ARG A 155 7.565 7.537 38.478 1.00 31.32 C ATOM 904 NH1 ARG A 155 7.059 8.473 39.274 1.00 30.33 N ATOM 905 NH2 ARG A 155 6.802 6.522 38.079 1.00 30.80 N ATOM 0 H ARG A 155 12.594 7.173 41.694 1.00 28.31 H new ATOM 0 HA ARG A 155 13.618 7.378 39.269 1.00 28.11 H new ATOM 0 HB2 ARG A 155 11.814 9.111 40.567 1.00 29.05 H new ATOM 0 HB3 ARG A 155 12.260 9.330 39.089 1.00 29.05 H new ATOM 0 HG2 ARG A 155 11.352 7.117 38.640 1.00 28.47 H new ATOM 0 HG3 ARG A 155 10.680 7.211 40.044 1.00 28.47 H new ATOM 0 HD2 ARG A 155 9.426 9.070 39.353 1.00 29.65 H new ATOM 0 HD3 ARG A 155 10.148 9.070 37.971 1.00 29.65 H new ATOM 0 HE ARG A 155 9.144 6.926 37.643 1.00 30.84 H new ATOM 0 HH11 ARG A 155 7.570 9.084 39.599 1.00 30.33 H new ATOM 0 HH12 ARG A 155 6.220 8.468 39.465 1.00 30.33 H new ATOM 0 HH21 ARG A 155 7.148 5.874 37.631 1.00 30.80 H new ATOM 0 HH22 ARG A 155 5.963 6.514 38.269 1.00 30.80 H new ATOM 906 N THR A 156 14.957 9.065 41.526 1.00 27.56 N ATOM 907 CA THR A 156 16.062 9.945 41.854 1.00 27.12 C ATOM 908 C THR A 156 17.375 9.271 41.416 1.00 28.30 C ATOM 909 O THR A 156 18.418 9.919 41.356 1.00 29.03 O ATOM 910 CB THR A 156 16.098 10.247 43.354 1.00 26.53 C ATOM 911 OG1 THR A 156 16.309 9.038 44.089 1.00 25.22 O ATOM 912 CG2 THR A 156 14.797 10.873 43.790 1.00 25.77 C ATOM 0 H THR A 156 14.602 8.670 42.203 1.00 27.56 H new ATOM 0 HA THR A 156 15.948 10.788 41.387 1.00 27.12 H new ATOM 0 HB THR A 156 16.825 10.865 43.528 1.00 26.53 H new ATOM 0 HG1 THR A 156 15.784 8.445 43.809 1.00 25.22 H new ATOM 0 HG21 THR A 156 14.830 11.060 44.741 1.00 25.77 H new ATOM 0 HG22 THR A 156 14.656 11.700 43.303 1.00 25.77 H new ATOM 0 HG23 THR A 156 14.066 10.262 43.607 1.00 25.77 H new ATOM 913 N HIS A 157 17.313 7.967 41.127 1.00 28.15 N ATOM 914 CA HIS A 157 18.470 7.196 40.670 1.00 28.97 C ATOM 915 C HIS A 157 18.484 7.084 39.140 1.00 29.58 C ATOM 916 O HIS A 157 19.518 7.289 38.500 1.00 30.84 O ATOM 917 CB HIS A 157 18.453 5.770 41.235 1.00 27.59 C ATOM 918 CG HIS A 157 18.541 5.697 42.723 1.00 27.46 C ATOM 919 ND1 HIS A 157 19.677 6.038 43.423 1.00 27.66 N ATOM 920 CD2 HIS A 157 17.638 5.296 43.648 1.00 28.35 C ATOM 921 CE1 HIS A 157 19.472 5.848 44.714 1.00 28.01 C ATOM 922 NE2 HIS A 157 18.241 5.397 44.877 1.00 27.91 N ATOM 0 H HIS A 157 16.592 7.504 41.192 1.00 28.15 H new ATOM 0 HA HIS A 157 19.257 7.668 40.984 1.00 28.97 H new ATOM 0 HB2 HIS A 157 17.638 5.329 40.948 1.00 27.59 H new ATOM 0 HB3 HIS A 157 19.194 5.273 40.853 1.00 27.59 H new ATOM 0 HD1 HIS A 157 20.407 6.329 43.074 1.00 27.66 H new ATOM 0 HD2 HIS A 157 16.770 5.006 43.482 1.00 28.35 H new ATOM 0 HE1 HIS A 157 20.089 6.005 45.392 1.00 28.01 H new ATOM 923 N THR A 158 17.326 6.750 38.569 1.00 29.22 N ATOM 924 CA THR A 158 17.170 6.564 37.125 1.00 28.34 C ATOM 925 C THR A 158 17.009 7.837 36.290 1.00 27.66 C ATOM 926 O THR A 158 17.276 7.819 35.088 1.00 26.77 O ATOM 927 CB THR A 158 15.996 5.597 36.807 1.00 28.54 C ATOM 928 OG1 THR A 158 14.790 6.100 37.388 1.00 28.33 O ATOM 929 CG2 THR A 158 16.267 4.187 37.363 1.00 28.61 C ATOM 0 H THR A 158 16.601 6.624 39.014 1.00 29.22 H new ATOM 0 HA THR A 158 18.022 6.184 36.858 1.00 28.34 H new ATOM 0 HB THR A 158 15.908 5.539 35.843 1.00 28.54 H new ATOM 0 HG1 THR A 158 14.200 5.502 37.372 1.00 28.33 H new ATOM 0 HG21 THR A 158 15.520 3.606 37.150 1.00 28.61 H new ATOM 0 HG22 THR A 158 17.076 3.831 36.964 1.00 28.61 H new ATOM 0 HG23 THR A 158 16.376 4.234 38.326 1.00 28.61 H new ATOM 930 N GLY A 159 16.594 8.935 36.926 1.00 27.50 N ATOM 931 CA GLY A 159 16.404 10.193 36.217 1.00 26.90 C ATOM 932 C GLY A 159 15.144 10.196 35.377 1.00 27.60 C ATOM 933 O GLY A 159 14.939 11.062 34.526 1.00 27.64 O ATOM 0 H GLY A 159 16.418 8.968 37.767 1.00 27.50 H new ATOM 0 HA2 GLY A 159 16.364 10.920 36.858 1.00 26.90 H new ATOM 0 HA3 GLY A 159 17.171 10.359 35.647 1.00 26.90 H new ATOM 934 N GLU A 160 14.311 9.186 35.587 1.00 28.09 N ATOM 935 CA GLU A 160 13.061 9.072 34.856 1.00 28.18 C ATOM 936 C GLU A 160 12.137 10.186 35.338 1.00 27.82 C ATOM 937 O GLU A 160 11.972 10.399 36.544 1.00 27.98 O ATOM 938 CB GLU A 160 12.418 7.709 35.099 1.00 28.31 C ATOM 939 CG GLU A 160 11.123 7.520 34.334 1.00 29.99 C ATOM 940 CD GLU A 160 10.214 6.459 34.933 1.00 32.16 C ATOM 941 OE1 GLU A 160 10.518 5.915 36.016 1.00 33.27 O ATOM 942 OE2 GLU A 160 9.169 6.176 34.317 1.00 35.21 O ATOM 0 H GLU A 160 14.453 8.553 36.152 1.00 28.09 H new ATOM 0 HA GLU A 160 13.223 9.154 33.903 1.00 28.18 H new ATOM 0 HB2 GLU A 160 13.043 7.012 34.844 1.00 28.31 H new ATOM 0 HB3 GLU A 160 12.246 7.603 36.048 1.00 28.31 H new ATOM 0 HG2 GLU A 160 10.647 8.365 34.305 1.00 29.99 H new ATOM 0 HG3 GLU A 160 11.329 7.279 33.417 1.00 29.99 H new ATOM 943 N LYS A 161 11.571 10.916 34.385 1.00 27.23 N ATOM 944 CA LYS A 161 10.680 12.023 34.680 1.00 27.02 C ATOM 945 C LYS A 161 9.545 11.977 33.679 1.00 26.66 C ATOM 946 O LYS A 161 9.624 12.561 32.601 1.00 28.05 O ATOM 947 CB LYS A 161 11.455 13.337 34.593 1.00 26.26 C ATOM 948 CG LYS A 161 12.515 13.453 35.679 1.00 27.21 C ATOM 949 CD LYS A 161 13.477 14.562 35.423 1.00 26.94 C ATOM 950 CE LYS A 161 14.514 14.602 36.517 1.00 28.90 C ATOM 951 NZ LYS A 161 15.377 15.807 36.369 1.00 30.55 N ATOM 0 H LYS A 161 11.695 10.780 33.545 1.00 27.23 H new ATOM 0 HA LYS A 161 10.318 11.958 35.578 1.00 27.02 H new ATOM 0 HB2 LYS A 161 11.878 13.404 33.722 1.00 26.26 H new ATOM 0 HB3 LYS A 161 10.837 14.081 34.666 1.00 26.26 H new ATOM 0 HG2 LYS A 161 12.082 13.596 36.535 1.00 27.21 H new ATOM 0 HG3 LYS A 161 13.001 12.616 35.743 1.00 27.21 H new ATOM 0 HD2 LYS A 161 13.907 14.436 34.563 1.00 26.94 H new ATOM 0 HD3 LYS A 161 13.005 15.408 35.383 1.00 26.94 H new ATOM 0 HE2 LYS A 161 14.078 14.613 37.384 1.00 28.90 H new ATOM 0 HE3 LYS A 161 15.059 13.800 36.484 1.00 28.90 H new ATOM 0 HZ1 LYS A 161 15.833 15.940 37.122 1.00 30.55 H new ATOM 0 HZ2 LYS A 161 15.946 15.684 35.696 1.00 30.55 H new ATOM 0 HZ3 LYS A 161 14.868 16.518 36.201 1.00 30.55 H new ATOM 952 N PRO A 162 8.448 11.306 34.051 1.00 26.55 N ATOM 953 CA PRO A 162 7.257 11.140 33.216 1.00 25.75 C ATOM 954 C PRO A 162 6.345 12.347 33.099 1.00 25.90 C ATOM 955 O PRO A 162 5.458 12.351 32.253 1.00 26.52 O ATOM 956 CB PRO A 162 6.496 10.011 33.921 1.00 25.53 C ATOM 957 CG PRO A 162 7.451 9.496 34.994 1.00 25.80 C ATOM 958 CD PRO A 162 8.245 10.680 35.366 1.00 25.32 C ATOM 0 HA PRO A 162 7.530 10.974 32.300 1.00 25.75 H new ATOM 0 HB2 PRO A 162 5.670 10.336 34.313 1.00 25.53 H new ATOM 0 HB3 PRO A 162 6.256 9.307 33.298 1.00 25.53 H new ATOM 0 HG2 PRO A 162 6.969 9.138 35.756 1.00 25.80 H new ATOM 0 HG3 PRO A 162 8.015 8.783 34.655 1.00 25.80 H new ATOM 0 HD2 PRO A 162 7.771 11.262 35.980 1.00 25.32 H new ATOM 0 HD3 PRO A 162 9.083 10.441 35.792 1.00 25.32 H new ATOM 959 N PHE A 163 6.565 13.377 33.907 1.00 25.56 N ATOM 960 CA PHE A 163 5.662 14.520 33.901 1.00 25.46 C ATOM 961 C PHE A 163 6.207 15.844 33.389 1.00 25.81 C ATOM 962 O PHE A 163 6.908 16.546 34.104 1.00 26.07 O ATOM 963 CB PHE A 163 5.068 14.675 35.301 1.00 24.23 C ATOM 964 CG PHE A 163 4.528 13.383 35.870 1.00 24.70 C ATOM 965 CD1 PHE A 163 3.275 12.911 35.498 1.00 25.03 C ATOM 966 CD2 PHE A 163 5.283 12.631 36.754 1.00 25.47 C ATOM 967 CE1 PHE A 163 2.779 11.719 35.994 1.00 25.23 C ATOM 968 CE2 PHE A 163 4.796 11.431 37.261 1.00 26.11 C ATOM 969 CZ PHE A 163 3.539 10.977 36.877 1.00 27.20 C ATOM 0 H PHE A 163 7.222 13.434 34.459 1.00 25.56 H new ATOM 0 HA PHE A 163 4.989 14.306 33.236 1.00 25.46 H new ATOM 0 HB2 PHE A 163 5.749 15.024 35.897 1.00 24.23 H new ATOM 0 HB3 PHE A 163 4.354 15.331 35.271 1.00 24.23 H new ATOM 0 HD1 PHE A 163 2.760 13.407 34.903 1.00 25.03 H new ATOM 0 HD2 PHE A 163 6.125 12.931 37.011 1.00 25.47 H new ATOM 0 HE1 PHE A 163 1.938 11.419 35.734 1.00 25.23 H new ATOM 0 HE2 PHE A 163 5.310 10.933 37.855 1.00 26.11 H new ATOM 0 HZ PHE A 163 3.211 10.175 37.214 1.00 27.20 H new ATOM 970 N ALA A 164 5.812 16.220 32.171 1.00 26.45 N ATOM 971 CA ALA A 164 6.277 17.466 31.545 1.00 25.95 C ATOM 972 C ALA A 164 5.290 18.616 31.638 1.00 25.89 C ATOM 973 O ALA A 164 4.088 18.439 31.443 1.00 26.73 O ATOM 974 CB ALA A 164 6.639 17.219 30.095 1.00 25.05 C ATOM 0 H ALA A 164 5.269 15.764 31.684 1.00 26.45 H new ATOM 0 HA ALA A 164 7.059 17.738 32.050 1.00 25.95 H new ATOM 0 HB1 ALA A 164 6.944 18.047 29.692 1.00 25.05 H new ATOM 0 HB2 ALA A 164 7.346 16.556 30.046 1.00 25.05 H new ATOM 0 HB3 ALA A 164 5.859 16.896 29.617 1.00 25.05 H new ATOM 975 N CYS A 165 5.809 19.800 31.934 1.00 25.95 N ATOM 976 CA CYS A 165 4.999 20.999 32.046 1.00 26.10 C ATOM 977 C CYS A 165 4.299 21.352 30.726 1.00 27.00 C ATOM 978 O CYS A 165 4.933 21.393 29.668 1.00 27.27 O ATOM 979 CB CYS A 165 5.879 22.154 32.478 1.00 25.55 C ATOM 980 SG CYS A 165 5.002 23.684 32.491 1.00 28.19 S ATOM 0 H CYS A 165 6.647 19.929 32.076 1.00 25.95 H new ATOM 0 HA CYS A 165 4.308 20.831 32.706 1.00 26.10 H new ATOM 0 HB2 CYS A 165 6.232 21.977 33.364 1.00 25.55 H new ATOM 0 HB3 CYS A 165 6.639 22.223 31.879 1.00 25.55 H new ATOM 981 N ASP A 166 2.999 21.628 30.804 1.00 26.98 N ATOM 982 CA ASP A 166 2.188 21.972 29.640 1.00 27.46 C ATOM 983 C ASP A 166 2.587 23.245 28.924 1.00 27.93 C ATOM 984 O ASP A 166 2.276 23.415 27.749 1.00 28.42 O ATOM 985 CB ASP A 166 0.720 22.094 30.030 1.00 27.72 C ATOM 986 CG ASP A 166 0.005 20.758 30.066 1.00 28.25 C ATOM 987 OD1 ASP A 166 0.414 19.804 29.359 1.00 27.14 O ATOM 988 OD2 ASP A 166 -0.997 20.677 30.797 1.00 29.39 O ATOM 0 H ASP A 166 2.559 21.620 31.543 1.00 26.98 H new ATOM 0 HA ASP A 166 2.342 21.241 29.021 1.00 27.46 H new ATOM 0 HB2 ASP A 166 0.656 22.513 30.902 1.00 27.72 H new ATOM 0 HB3 ASP A 166 0.271 22.679 29.400 1.00 27.72 H new ATOM 989 N ILE A 167 3.234 24.157 29.643 1.00 28.46 N ATOM 990 CA ILE A 167 3.668 25.433 29.068 1.00 28.13 C ATOM 991 C ILE A 167 5.078 25.399 28.462 1.00 28.14 C ATOM 992 O ILE A 167 5.260 25.750 27.291 1.00 28.46 O ATOM 993 CB ILE A 167 3.591 26.582 30.119 1.00 27.84 C ATOM 994 CG1 ILE A 167 2.169 26.691 30.683 1.00 27.44 C ATOM 995 CG2 ILE A 167 4.037 27.919 29.505 1.00 27.09 C ATOM 996 CD1 ILE A 167 1.119 26.930 29.639 1.00 26.43 C ATOM 0 H ILE A 167 3.434 24.057 30.473 1.00 28.46 H new ATOM 0 HA ILE A 167 3.048 25.602 28.341 1.00 28.13 H new ATOM 0 HB ILE A 167 4.197 26.372 30.847 1.00 27.84 H new ATOM 0 HG12 ILE A 167 1.957 25.875 31.162 1.00 27.44 H new ATOM 0 HG13 ILE A 167 2.141 27.414 31.329 1.00 27.44 H new ATOM 0 HG21 ILE A 167 3.981 28.618 30.175 1.00 27.09 H new ATOM 0 HG22 ILE A 167 4.952 27.843 29.193 1.00 27.09 H new ATOM 0 HG23 ILE A 167 3.459 28.141 28.758 1.00 27.09 H new ATOM 0 HD11 ILE A 167 0.248 26.988 30.063 1.00 26.43 H new ATOM 0 HD12 ILE A 167 1.308 27.760 29.174 1.00 26.43 H new ATOM 0 HD13 ILE A 167 1.121 26.197 29.004 1.00 26.43 H new ATOM 997 N CYS A 168 6.071 24.973 29.247 1.00 27.98 N ATOM 998 CA CYS A 168 7.454 24.945 28.768 1.00 26.91 C ATOM 999 C CYS A 168 8.016 23.568 28.486 1.00 27.08 C ATOM 1000 O CYS A 168 9.061 23.450 27.847 1.00 29.23 O ATOM 1001 CB CYS A 168 8.376 25.670 29.751 1.00 26.37 C ATOM 1002 SG CYS A 168 8.679 24.806 31.297 1.00 25.26 S ATOM 0 H CYS A 168 5.965 24.698 30.055 1.00 27.98 H new ATOM 0 HA CYS A 168 7.422 25.400 27.912 1.00 26.91 H new ATOM 0 HB2 CYS A 168 9.227 25.831 29.315 1.00 26.37 H new ATOM 0 HB3 CYS A 168 7.992 26.538 29.952 1.00 26.37 H new ATOM 1003 N GLY A 169 7.373 22.535 29.014 1.00 25.65 N ATOM 1004 CA GLY A 169 7.853 21.195 28.774 1.00 25.18 C ATOM 1005 C GLY A 169 8.923 20.673 29.710 1.00 24.77 C ATOM 1006 O GLY A 169 9.462 19.608 29.450 1.00 25.79 O ATOM 0 H GLY A 169 6.669 22.591 29.505 1.00 25.65 H new ATOM 0 HA2 GLY A 169 7.095 20.591 28.815 1.00 25.18 H new ATOM 0 HA3 GLY A 169 8.199 21.156 27.868 1.00 25.18 H new ATOM 1007 N ARG A 170 9.248 21.392 30.781 1.00 24.86 N ATOM 1008 CA ARG A 170 10.261 20.917 31.724 1.00 25.60 C ATOM 1009 C ARG A 170 9.715 19.653 32.393 1.00 26.56 C ATOM 1010 O ARG A 170 8.559 19.636 32.824 1.00 28.24 O ATOM 1011 CB ARG A 170 10.566 21.988 32.775 1.00 26.68 C ATOM 1012 CG ARG A 170 11.675 21.601 33.732 1.00 27.31 C ATOM 1013 CD ARG A 170 12.012 22.711 34.692 1.00 28.36 C ATOM 1014 NE ARG A 170 13.083 22.308 35.604 1.00 28.61 N ATOM 1015 CZ ARG A 170 13.763 23.148 36.379 1.00 29.07 C ATOM 1016 NH1 ARG A 170 13.497 24.450 36.358 1.00 27.84 N ATOM 1017 NH2 ARG A 170 14.706 22.685 37.185 1.00 28.43 N ATOM 0 H ARG A 170 8.898 22.152 30.980 1.00 24.86 H new ATOM 0 HA ARG A 170 11.089 20.724 31.257 1.00 25.60 H new ATOM 0 HB2 ARG A 170 10.810 22.812 32.325 1.00 26.68 H new ATOM 0 HB3 ARG A 170 9.760 22.171 33.283 1.00 26.68 H new ATOM 0 HG2 ARG A 170 11.408 20.813 34.232 1.00 27.31 H new ATOM 0 HG3 ARG A 170 12.467 21.361 33.226 1.00 27.31 H new ATOM 0 HD2 ARG A 170 12.284 23.500 34.197 1.00 28.36 H new ATOM 0 HD3 ARG A 170 11.223 22.953 35.201 1.00 28.36 H new ATOM 0 HE ARG A 170 13.286 21.473 35.641 1.00 28.61 H new ATOM 0 HH11 ARG A 170 12.881 24.755 35.841 1.00 27.84 H new ATOM 0 HH12 ARG A 170 13.941 24.988 36.862 1.00 27.84 H new ATOM 0 HH21 ARG A 170 14.878 21.843 37.207 1.00 28.43 H new ATOM 0 HH22 ARG A 170 15.147 23.227 37.687 1.00 28.43 H new ATOM 1018 N LYS A 171 10.539 18.606 32.479 1.00 26.59 N ATOM 1019 CA LYS A 171 10.128 17.315 33.060 1.00 25.92 C ATOM 1020 C LYS A 171 10.356 17.128 34.559 1.00 25.29 C ATOM 1021 O LYS A 171 11.341 17.603 35.113 1.00 25.22 O ATOM 1022 CB LYS A 171 10.794 16.152 32.312 1.00 27.04 C ATOM 1023 CG LYS A 171 10.463 16.047 30.829 1.00 27.99 C ATOM 1024 CD LYS A 171 11.161 14.850 30.226 1.00 30.43 C ATOM 1025 CE LYS A 171 10.998 14.798 28.719 1.00 31.94 C ATOM 1026 NZ LYS A 171 11.874 13.722 28.157 1.00 34.83 N ATOM 0 H LYS A 171 11.353 18.620 32.203 1.00 26.59 H new ATOM 0 HA LYS A 171 9.164 17.320 32.949 1.00 25.92 H new ATOM 0 HB2 LYS A 171 11.756 16.236 32.407 1.00 27.04 H new ATOM 0 HB3 LYS A 171 10.538 15.322 32.744 1.00 27.04 H new ATOM 0 HG2 LYS A 171 9.504 15.966 30.709 1.00 27.99 H new ATOM 0 HG3 LYS A 171 10.739 16.856 30.371 1.00 27.99 H new ATOM 0 HD2 LYS A 171 12.105 14.881 30.448 1.00 30.43 H new ATOM 0 HD3 LYS A 171 10.804 14.037 30.617 1.00 30.43 H new ATOM 0 HE2 LYS A 171 10.071 14.626 28.490 1.00 31.94 H new ATOM 0 HE3 LYS A 171 11.232 15.655 28.329 1.00 31.94 H new ATOM 0 HZ1 LYS A 171 11.778 13.692 27.273 1.00 34.83 H new ATOM 0 HZ2 LYS A 171 12.724 13.896 28.357 1.00 34.83 H new ATOM 0 HZ3 LYS A 171 11.642 12.937 28.507 1.00 34.83 H new ATOM 1027 N PHE A 172 9.479 16.336 35.175 1.00 24.81 N ATOM 1028 CA PHE A 172 9.510 16.050 36.612 1.00 23.94 C ATOM 1029 C PHE A 172 9.254 14.560 36.942 1.00 23.93 C ATOM 1030 O PHE A 172 8.532 13.861 36.229 1.00 22.76 O ATOM 1031 CB PHE A 172 8.482 16.942 37.337 1.00 22.78 C ATOM 1032 CG PHE A 172 8.730 18.428 37.165 1.00 22.00 C ATOM 1033 CD1 PHE A 172 8.179 19.123 36.093 1.00 21.05 C ATOM 1034 CD2 PHE A 172 9.541 19.123 38.061 1.00 21.11 C ATOM 1035 CE1 PHE A 172 8.437 20.485 35.917 1.00 20.53 C ATOM 1036 CE2 PHE A 172 9.799 20.475 37.886 1.00 20.20 C ATOM 1037 CZ PHE A 172 9.247 21.151 36.814 1.00 19.75 C ATOM 0 H PHE A 172 8.836 15.942 34.762 1.00 24.81 H new ATOM 0 HA PHE A 172 10.407 16.249 36.924 1.00 23.94 H new ATOM 0 HB2 PHE A 172 7.594 16.731 37.008 1.00 22.78 H new ATOM 0 HB3 PHE A 172 8.492 16.729 38.283 1.00 22.78 H new ATOM 0 HD1 PHE A 172 7.633 18.676 35.487 1.00 21.05 H new ATOM 0 HD2 PHE A 172 9.914 18.675 38.785 1.00 21.11 H new ATOM 0 HE1 PHE A 172 8.064 20.941 35.198 1.00 20.53 H new ATOM 0 HE2 PHE A 172 10.343 20.926 38.490 1.00 20.20 H new ATOM 0 HZ PHE A 172 9.422 22.057 36.697 1.00 19.75 H new ATOM 1038 N ALA A 173 9.863 14.088 38.031 1.00 24.59 N ATOM 1039 CA ALA A 173 9.733 12.701 38.477 1.00 24.17 C ATOM 1040 C ALA A 173 8.344 12.392 39.037 1.00 24.95 C ATOM 1041 O ALA A 173 7.843 11.272 38.908 1.00 25.44 O ATOM 1042 CB ALA A 173 10.802 12.391 39.522 1.00 23.70 C ATOM 0 H ALA A 173 10.367 14.569 38.535 1.00 24.59 H new ATOM 0 HA ALA A 173 9.857 12.135 37.699 1.00 24.17 H new ATOM 0 HB1 ALA A 173 10.712 11.471 39.814 1.00 23.70 H new ATOM 0 HB2 ALA A 173 11.681 12.522 39.134 1.00 23.70 H new ATOM 0 HB3 ALA A 173 10.693 12.984 40.282 1.00 23.70 H new ATOM 1043 N ARG A 174 7.732 13.378 39.682 1.00 25.38 N ATOM 1044 CA ARG A 174 6.405 13.196 40.267 1.00 25.94 C ATOM 1045 C ARG A 174 5.453 14.259 39.731 1.00 25.96 C ATOM 1046 O ARG A 174 5.868 15.383 39.421 1.00 25.66 O ATOM 1047 CB ARG A 174 6.453 13.289 41.797 1.00 25.51 C ATOM 1048 CG ARG A 174 7.661 12.662 42.460 1.00 24.04 C ATOM 1049 CD ARG A 174 7.447 12.515 43.963 1.00 23.84 C ATOM 1050 NE ARG A 174 7.163 13.780 44.651 1.00 24.10 N ATOM 1051 CZ ARG A 174 7.621 14.108 45.859 1.00 22.06 C ATOM 1052 NH1 ARG A 174 8.400 13.275 46.536 1.00 21.91 N ATOM 1053 NH2 ARG A 174 7.294 15.274 46.398 1.00 21.61 N ATOM 0 H ARG A 174 8.067 14.162 39.793 1.00 25.38 H new ATOM 0 HA ARG A 174 6.090 12.312 40.021 1.00 25.94 H new ATOM 0 HB2 ARG A 174 6.417 14.225 42.048 1.00 25.51 H new ATOM 0 HB3 ARG A 174 5.655 12.869 42.154 1.00 25.51 H new ATOM 0 HG2 ARG A 174 7.833 11.792 42.068 1.00 24.04 H new ATOM 0 HG3 ARG A 174 8.445 13.208 42.294 1.00 24.04 H new ATOM 0 HD2 ARG A 174 6.712 11.901 44.117 1.00 23.84 H new ATOM 0 HD3 ARG A 174 8.238 12.114 44.356 1.00 23.84 H new ATOM 0 HE ARG A 174 6.665 14.351 44.245 1.00 24.10 H new ATOM 0 HH11 ARG A 174 8.614 12.515 46.196 1.00 21.91 H new ATOM 0 HH12 ARG A 174 8.691 13.495 47.315 1.00 21.91 H new ATOM 0 HH21 ARG A 174 6.786 15.819 45.968 1.00 21.61 H new ATOM 0 HH22 ARG A 174 7.590 15.485 47.177 1.00 21.61 H new ATOM 1054 N SER A 175 4.172 13.907 39.646 1.00 26.68 N ATOM 1055 CA SER A 175 3.156 14.825 39.138 1.00 27.48 C ATOM 1056 C SER A 175 2.984 16.074 40.010 1.00 27.65 C ATOM 1057 O SER A 175 2.664 17.149 39.495 1.00 28.05 O ATOM 1058 CB SER A 175 1.825 14.102 38.985 1.00 26.81 C ATOM 1059 OG SER A 175 1.387 13.594 40.231 1.00 29.00 O ATOM 0 H SER A 175 3.870 13.136 39.879 1.00 26.68 H new ATOM 0 HA SER A 175 3.465 15.132 38.271 1.00 27.48 H new ATOM 0 HB2 SER A 175 1.160 14.711 38.627 1.00 26.81 H new ATOM 0 HB3 SER A 175 1.917 13.376 38.349 1.00 26.81 H new ATOM 0 HG SER A 175 0.944 12.891 40.107 1.00 29.00 H new ATOM 1060 N ASP A 176 3.234 15.937 41.316 1.00 27.92 N ATOM 1061 CA ASP A 176 3.100 17.053 42.258 1.00 27.34 C ATOM 1062 C ASP A 176 4.208 18.087 42.112 1.00 26.72 C ATOM 1063 O ASP A 176 4.022 19.252 42.452 1.00 26.73 O ATOM 1064 CB ASP A 176 2.976 16.562 43.716 1.00 27.06 C ATOM 1065 CG ASP A 176 4.227 15.870 44.224 1.00 26.73 C ATOM 1066 OD1 ASP A 176 4.460 14.712 43.836 1.00 26.37 O ATOM 1067 OD2 ASP A 176 4.963 16.472 45.033 1.00 27.88 O ATOM 0 H ASP A 176 3.485 15.199 41.679 1.00 27.92 H new ATOM 0 HA ASP A 176 2.272 17.501 42.027 1.00 27.34 H new ATOM 0 HB2 ASP A 176 2.777 17.318 44.290 1.00 27.06 H new ATOM 0 HB3 ASP A 176 2.226 15.950 43.782 1.00 27.06 H new ATOM 1068 N GLU A 177 5.369 17.664 41.625 1.00 26.07 N ATOM 1069 CA GLU A 177 6.459 18.609 41.404 1.00 26.67 C ATOM 1070 C GLU A 177 6.101 19.419 40.159 1.00 26.10 C ATOM 1071 O GLU A 177 6.293 20.636 40.118 1.00 25.82 O ATOM 1072 CB GLU A 177 7.773 17.874 41.179 1.00 27.95 C ATOM 1073 CG GLU A 177 8.093 16.850 42.258 1.00 30.94 C ATOM 1074 CD GLU A 177 9.378 16.082 41.981 1.00 32.01 C ATOM 1075 OE1 GLU A 177 9.487 15.473 40.893 1.00 31.54 O ATOM 1076 OE2 GLU A 177 10.276 16.084 42.856 1.00 33.35 O ATOM 0 H GLU A 177 5.546 16.848 41.419 1.00 26.07 H new ATOM 0 HA GLU A 177 6.572 19.182 42.179 1.00 26.67 H new ATOM 0 HB2 GLU A 177 7.741 17.427 40.319 1.00 27.95 H new ATOM 0 HB3 GLU A 177 8.494 18.522 41.135 1.00 27.95 H new ATOM 0 HG2 GLU A 177 8.169 17.301 43.113 1.00 30.94 H new ATOM 0 HG3 GLU A 177 7.356 16.223 42.332 1.00 30.94 H new ATOM 1077 N ARG A 178 5.562 18.742 39.142 1.00 26.21 N ATOM 1078 CA ARG A 178 5.167 19.446 37.929 1.00 26.46 C ATOM 1079 C ARG A 178 4.086 20.443 38.278 1.00 26.26 C ATOM 1080 O ARG A 178 4.068 21.549 37.747 1.00 27.20 O ATOM 1081 CB ARG A 178 4.643 18.509 36.844 1.00 27.17 C ATOM 1082 CG ARG A 178 4.090 19.294 35.648 1.00 29.32 C ATOM 1083 CD ARG A 178 3.506 18.411 34.562 1.00 32.12 C ATOM 1084 NE ARG A 178 2.545 17.435 35.064 1.00 34.41 N ATOM 1085 CZ ARG A 178 2.025 16.442 34.343 1.00 35.61 C ATOM 1086 NH1 ARG A 178 2.358 16.278 33.065 1.00 35.57 N ATOM 1087 NH2 ARG A 178 1.199 15.575 34.916 1.00 37.19 N ATOM 0 H ARG A 178 5.421 17.894 39.136 1.00 26.21 H new ATOM 0 HA ARG A 178 5.957 19.885 37.575 1.00 26.46 H new ATOM 0 HB2 ARG A 178 5.357 17.924 36.547 1.00 27.17 H new ATOM 0 HB3 ARG A 178 3.947 17.943 37.212 1.00 27.17 H new ATOM 0 HG2 ARG A 178 3.405 19.906 35.961 1.00 29.32 H new ATOM 0 HG3 ARG A 178 4.801 19.834 35.268 1.00 29.32 H new ATOM 0 HD2 ARG A 178 3.073 18.970 33.898 1.00 32.12 H new ATOM 0 HD3 ARG A 178 4.227 17.943 34.112 1.00 32.12 H new ATOM 0 HE ARG A 178 2.296 17.505 35.884 1.00 34.41 H new ATOM 0 HH11 ARG A 178 2.916 16.817 32.693 1.00 35.57 H new ATOM 0 HH12 ARG A 178 2.015 15.633 32.611 1.00 35.57 H new ATOM 0 HH21 ARG A 178 1.001 15.655 35.749 1.00 37.19 H new ATOM 0 HH22 ARG A 178 0.861 14.933 34.454 1.00 37.19 H new ATOM 1088 N LYS A 179 3.183 20.038 39.170 1.00 25.77 N ATOM 1089 CA LYS A 179 2.100 20.902 39.594 1.00 25.12 C ATOM 1090 C LYS A 179 2.643 22.158 40.289 1.00 24.99 C ATOM 1091 O LYS A 179 2.208 23.270 39.989 1.00 25.15 O ATOM 1092 CB LYS A 179 1.137 20.141 40.508 1.00 25.03 C ATOM 1093 CG LYS A 179 0.027 21.017 41.058 1.00 25.18 C ATOM 1094 CD LYS A 179 -0.813 20.303 42.090 1.00 24.79 C ATOM 1095 CE LYS A 179 -1.839 19.414 41.433 1.00 24.59 C ATOM 1096 NZ LYS A 179 -2.795 18.922 42.447 1.00 22.53 N ATOM 0 H LYS A 179 3.186 19.261 39.540 1.00 25.77 H new ATOM 0 HA LYS A 179 1.610 21.188 38.807 1.00 25.12 H new ATOM 0 HB2 LYS A 179 0.746 19.403 40.015 1.00 25.03 H new ATOM 0 HB3 LYS A 179 1.635 19.757 41.246 1.00 25.03 H new ATOM 0 HG2 LYS A 179 0.414 21.814 41.454 1.00 25.18 H new ATOM 0 HG3 LYS A 179 -0.541 21.310 40.329 1.00 25.18 H new ATOM 0 HD2 LYS A 179 -0.241 19.771 42.666 1.00 24.79 H new ATOM 0 HD3 LYS A 179 -1.258 20.953 42.655 1.00 24.79 H new ATOM 0 HE2 LYS A 179 -2.311 19.905 40.743 1.00 24.59 H new ATOM 0 HE3 LYS A 179 -1.401 18.665 40.999 1.00 24.59 H new ATOM 0 HZ1 LYS A 179 -3.364 18.352 42.067 1.00 22.53 H new ATOM 0 HZ2 LYS A 179 -2.351 18.508 43.098 1.00 22.53 H new ATOM 0 HZ3 LYS A 179 -3.247 19.609 42.787 1.00 22.53 H new ATOM 1097 N ARG A 180 3.625 21.975 41.175 1.00 24.70 N ATOM 1098 CA ARG A 180 4.256 23.077 41.907 1.00 24.15 C ATOM 1099 C ARG A 180 5.005 24.000 40.953 1.00 23.99 C ATOM 1100 O ARG A 180 5.171 25.194 41.217 1.00 23.83 O ATOM 1101 CB ARG A 180 5.234 22.515 42.942 1.00 24.99 C ATOM 1102 CG ARG A 180 5.794 23.541 43.918 1.00 24.32 C ATOM 1103 CD ARG A 180 6.720 22.877 44.945 1.00 24.69 C ATOM 1104 NE ARG A 180 7.924 22.285 44.351 1.00 23.86 N ATOM 1105 CZ ARG A 180 8.954 21.834 45.060 1.00 21.94 C ATOM 1106 NH1 ARG A 180 8.928 21.907 46.381 1.00 21.83 N ATOM 1107 NH2 ARG A 180 10.003 21.300 44.455 1.00 21.82 N ATOM 0 H ARG A 180 3.946 21.201 41.370 1.00 24.70 H new ATOM 0 HA ARG A 180 3.561 23.587 42.353 1.00 24.15 H new ATOM 0 HB2 ARG A 180 4.785 21.819 43.447 1.00 24.99 H new ATOM 0 HB3 ARG A 180 5.973 22.095 42.475 1.00 24.99 H new ATOM 0 HG2 ARG A 180 6.283 24.223 43.431 1.00 24.32 H new ATOM 0 HG3 ARG A 180 5.065 23.988 44.376 1.00 24.32 H new ATOM 0 HD2 ARG A 180 6.985 23.537 45.605 1.00 24.69 H new ATOM 0 HD3 ARG A 180 6.227 22.187 45.415 1.00 24.69 H new ATOM 0 HE ARG A 180 7.966 22.226 43.494 1.00 23.86 H new ATOM 0 HH11 ARG A 180 8.245 22.246 46.780 1.00 21.83 H new ATOM 0 HH12 ARG A 180 9.594 21.616 46.841 1.00 21.83 H new ATOM 0 HH21 ARG A 180 10.022 21.243 43.597 1.00 21.82 H new ATOM 0 HH22 ARG A 180 10.666 21.010 44.920 1.00 21.82 H new ATOM 1108 N HIS A 181 5.455 23.428 39.842 1.00 24.62 N ATOM 1109 CA HIS A 181 6.192 24.165 38.830 1.00 25.61 C ATOM 1110 C HIS A 181 5.317 24.979 37.882 1.00 26.05 C ATOM 1111 O HIS A 181 5.608 26.138 37.613 1.00 26.29 O ATOM 1112 CB HIS A 181 7.058 23.202 38.006 1.00 25.89 C ATOM 1113 CG HIS A 181 7.525 23.784 36.709 1.00 26.00 C ATOM 1114 ND1 HIS A 181 8.639 24.585 36.612 1.00 25.93 N ATOM 1115 CD2 HIS A 181 6.980 23.748 35.470 1.00 26.89 C ATOM 1116 CE1 HIS A 181 8.760 25.025 35.373 1.00 26.94 C ATOM 1117 NE2 HIS A 181 7.763 24.534 34.660 1.00 27.41 N ATOM 0 H HIS A 181 5.339 22.597 39.655 1.00 24.62 H new ATOM 0 HA HIS A 181 6.738 24.801 39.318 1.00 25.61 H new ATOM 0 HB2 HIS A 181 7.830 22.941 38.532 1.00 25.89 H new ATOM 0 HB3 HIS A 181 6.551 22.395 37.827 1.00 25.89 H new ATOM 0 HD1 HIS A 181 9.174 24.771 37.259 1.00 25.93 H new ATOM 0 HD2 HIS A 181 6.218 23.279 35.215 1.00 26.89 H new ATOM 0 HE1 HIS A 181 9.432 25.585 35.057 1.00 26.94 H new ATOM 1118 N THR A 182 4.274 24.359 37.340 1.00 26.72 N ATOM 1119 CA THR A 182 3.405 25.033 36.381 1.00 27.40 C ATOM 1120 C THR A 182 2.932 26.410 36.832 1.00 27.56 C ATOM 1121 O THR A 182 2.833 27.330 36.019 1.00 27.51 O ATOM 1122 CB THR A 182 2.179 24.173 36.019 1.00 27.91 C ATOM 1123 OG1 THR A 182 2.600 22.828 35.774 1.00 28.55 O ATOM 1124 CG2 THR A 182 1.515 24.709 34.751 1.00 27.38 C ATOM 0 H THR A 182 4.052 23.547 37.514 1.00 26.72 H new ATOM 0 HA THR A 182 3.962 25.160 35.597 1.00 27.40 H new ATOM 0 HB THR A 182 1.549 24.203 36.756 1.00 27.91 H new ATOM 0 HG1 THR A 182 2.913 22.499 36.481 1.00 28.55 H new ATOM 0 HG21 THR A 182 0.745 24.161 34.532 1.00 27.38 H new ATOM 0 HG22 THR A 182 1.229 25.624 34.897 1.00 27.38 H new ATOM 0 HG23 THR A 182 2.149 24.683 34.017 1.00 27.38 H new ATOM 1125 N LYS A 183 2.700 26.561 38.134 1.00 27.36 N ATOM 1126 CA LYS A 183 2.230 27.824 38.687 1.00 26.87 C ATOM 1127 C LYS A 183 3.180 29.011 38.516 1.00 26.33 C ATOM 1128 O LYS A 183 2.758 30.159 38.671 1.00 25.91 O ATOM 1129 CB LYS A 183 1.857 27.661 40.160 1.00 27.48 C ATOM 1130 CG LYS A 183 3.037 27.391 41.076 1.00 28.70 C ATOM 1131 CD LYS A 183 2.658 27.642 42.512 1.00 29.01 C ATOM 1132 CE LYS A 183 3.832 27.466 43.421 1.00 29.07 C ATOM 1133 NZ LYS A 183 3.475 27.923 44.785 1.00 30.19 N ATOM 0 H LYS A 183 2.810 25.938 38.716 1.00 27.36 H new ATOM 0 HA LYS A 183 1.447 28.045 38.158 1.00 26.87 H new ATOM 0 HB2 LYS A 183 1.406 28.466 40.460 1.00 27.48 H new ATOM 0 HB3 LYS A 183 1.223 26.932 40.244 1.00 27.48 H new ATOM 0 HG2 LYS A 183 3.333 26.473 40.969 1.00 28.70 H new ATOM 0 HG3 LYS A 183 3.783 27.960 40.828 1.00 28.70 H new ATOM 0 HD2 LYS A 183 2.307 28.542 42.604 1.00 29.01 H new ATOM 0 HD3 LYS A 183 1.950 27.033 42.773 1.00 29.01 H new ATOM 0 HE2 LYS A 183 4.100 26.534 43.442 1.00 29.07 H new ATOM 0 HE3 LYS A 183 4.590 27.972 43.088 1.00 29.07 H new ATOM 0 HZ1 LYS A 183 4.174 27.818 45.326 1.00 30.19 H new ATOM 0 HZ2 LYS A 183 3.246 28.783 44.760 1.00 30.19 H new ATOM 0 HZ3 LYS A 183 2.790 27.443 45.089 1.00 30.19 H new ATOM 1134 N ILE A 184 4.450 28.750 38.203 1.00 25.51 N ATOM 1135 CA ILE A 184 5.404 29.840 38.021 1.00 26.03 C ATOM 1136 C ILE A 184 5.208 30.576 36.688 1.00 26.52 C ATOM 1137 O ILE A 184 5.764 31.650 36.479 1.00 27.41 O ATOM 1138 CB ILE A 184 6.876 29.376 38.163 1.00 25.06 C ATOM 1139 CG1 ILE A 184 7.317 28.557 36.938 1.00 25.06 C ATOM 1140 CG2 ILE A 184 7.043 28.591 39.446 1.00 25.62 C ATOM 1141 CD1 ILE A 184 8.781 28.111 36.956 1.00 23.53 C ATOM 0 H ILE A 184 4.774 27.961 38.093 1.00 25.51 H new ATOM 0 HA ILE A 184 5.218 30.464 38.740 1.00 26.03 H new ATOM 0 HB ILE A 184 7.450 30.157 38.205 1.00 25.06 H new ATOM 0 HG12 ILE A 184 6.753 27.770 36.871 1.00 25.06 H new ATOM 0 HG13 ILE A 184 7.163 29.085 36.139 1.00 25.06 H new ATOM 0 HG21 ILE A 184 7.965 28.302 39.531 1.00 25.62 H new ATOM 0 HG22 ILE A 184 6.809 29.152 40.202 1.00 25.62 H new ATOM 0 HG23 ILE A 184 6.462 27.814 39.428 1.00 25.62 H new ATOM 0 HD11 ILE A 184 8.975 27.603 36.152 1.00 23.53 H new ATOM 0 HD12 ILE A 184 9.357 28.891 36.992 1.00 23.53 H new ATOM 0 HD13 ILE A 184 8.941 27.556 37.735 1.00 23.53 H new ATOM 1142 N HIS A 185 4.406 30.012 35.792 1.00 26.87 N ATOM 1143 CA HIS A 185 4.146 30.659 34.508 1.00 27.28 C ATOM 1144 C HIS A 185 3.040 31.714 34.628 1.00 28.16 C ATOM 1145 O HIS A 185 2.725 32.397 33.654 1.00 27.55 O ATOM 1146 CB HIS A 185 3.779 29.629 33.431 1.00 26.92 C ATOM 1147 CG HIS A 185 4.819 28.576 33.221 1.00 26.42 C ATOM 1148 ND1 HIS A 185 6.053 28.847 32.673 1.00 26.71 N ATOM 1149 CD2 HIS A 185 4.806 27.246 33.484 1.00 26.25 C ATOM 1150 CE1 HIS A 185 6.755 27.729 32.606 1.00 26.89 C ATOM 1151 NE2 HIS A 185 6.021 26.742 33.091 1.00 25.61 N ATOM 0 H HIS A 185 4.004 29.260 35.905 1.00 26.87 H new ATOM 0 HA HIS A 185 4.965 31.105 34.241 1.00 27.28 H new ATOM 0 HB2 HIS A 185 2.943 29.202 33.676 1.00 26.92 H new ATOM 0 HB3 HIS A 185 3.626 30.092 32.592 1.00 26.92 H new ATOM 0 HD1 HIS A 185 6.324 29.621 32.415 1.00 26.71 H new ATOM 0 HD2 HIS A 185 4.105 26.765 33.860 1.00 26.25 H new ATOM 0 HE1 HIS A 185 7.620 27.650 32.274 1.00 26.89 H new ATOM 1152 N LEU A 186 2.437 31.827 35.810 1.00 29.83 N ATOM 1153 CA LEU A 186 1.391 32.827 36.048 1.00 31.41 C ATOM 1154 C LEU A 186 2.067 34.141 36.435 1.00 32.38 C ATOM 1155 O LEU A 186 1.772 35.195 35.876 1.00 34.63 O ATOM 1156 CB LEU A 186 0.462 32.397 37.189 1.00 31.02 C ATOM 1157 CG LEU A 186 -0.285 31.065 37.142 1.00 30.38 C ATOM 1158 CD1 LEU A 186 -0.958 30.839 38.473 1.00 30.36 C ATOM 1159 CD2 LEU A 186 -1.306 31.060 36.032 1.00 30.45 C ATOM 0 H LEU A 186 2.618 31.334 36.491 1.00 29.83 H new ATOM 0 HA LEU A 186 0.861 32.926 35.242 1.00 31.41 H new ATOM 0 HB2 LEU A 186 0.993 32.396 38.001 1.00 31.02 H new ATOM 0 HB3 LEU A 186 -0.206 33.093 37.288 1.00 31.02 H new ATOM 0 HG LEU A 186 0.346 30.350 36.966 1.00 30.38 H new ATOM 0 HD11 LEU A 186 -1.436 29.995 38.455 1.00 30.36 H new ATOM 0 HD12 LEU A 186 -0.289 30.816 39.175 1.00 30.36 H new ATOM 0 HD13 LEU A 186 -1.583 31.560 38.647 1.00 30.36 H new ATOM 0 HD21 LEU A 186 -1.767 30.207 36.020 1.00 30.45 H new ATOM 0 HD22 LEU A 186 -1.948 31.772 36.179 1.00 30.45 H new ATOM 0 HD23 LEU A 186 -0.860 31.198 35.182 1.00 30.45 H new TER 1160 LEU A 186 HETATM 1161 ZN ZN A 201 -1.044 6.948 65.715 1.00 38.70 ZN HETATM 1162 ZN ZN A 202 17.506 4.074 46.506 1.00 35.51 ZN HETATM 1163 ZN ZN A 203 6.926 25.091 32.797 1.00 30.55 ZN HETATM 1164 O HOH B 328 13.346 15.149 50.768 1.00 34.39 O HETATM 1165 O HOH B 332 7.090 14.303 56.299 1.00 44.51 O HETATM 1166 O HOH B 336 -4.500 14.031 53.345 1.00 40.07 O HETATM 1167 O HOH B 344 5.369 10.294 61.101 1.00 47.42 O HETATM 1168 O HOH B 345 7.002 8.256 60.114 1.00 50.61 O HETATM 1169 O HOH B 346 9.890 9.938 59.951 1.00 46.27 O HETATM 1170 O HOH B 347 10.715 7.686 58.162 1.00 25.38 O HETATM 1171 O HOH B 348 8.515 6.537 57.254 1.00 27.61 O HETATM 1172 O HOH B 349 9.638 5.737 54.961 1.00 26.69 O HETATM 1173 O HOH B 351 9.127 7.865 51.690 1.00 25.58 O HETATM 1174 O HOH B 356 14.532 13.572 40.710 1.00 51.64 O HETATM 1175 O HOH B 360 15.632 19.596 36.860 1.00 51.04 O HETATM 1176 O HOH B 361 18.725 21.461 38.389 1.00 47.61 O HETATM 1177 O HOH B 363 12.265 22.064 39.427 1.00 33.56 O HETATM 1178 O HOH B 367 8.518 26.068 44.672 1.00 36.60 O HETATM 1179 O HOH B 370 6.686 18.890 44.818 1.00 26.19 O HETATM 1180 O HOH B 385 5.286 11.723 46.355 1.00 27.00 O HETATM 1181 O HOH B 389 -7.905 11.540 48.150 1.00 39.01 O HETATM 1182 O HOH B 404 12.944 11.547 57.032 1.00 33.20 O HETATM 1183 O HOH B 405 10.665 14.284 54.454 1.00 43.46 O HETATM 1184 O HOH B 408 -0.044 14.194 55.521 1.00 42.54 O HETATM 1185 O HOH B 411 5.130 4.991 58.221 1.00 27.90 O HETATM 1186 O HOH B 420 -10.456 0.272 49.360 1.00 27.85 O HETATM 1187 O HOH B 421 -12.524 -1.960 48.813 1.00 31.87 O HETATM 1188 O HOH B 422 -13.250 1.413 42.916 1.00 24.32 O HETATM 1189 O HOH B 423 -12.182 -3.385 40.761 1.00 25.86 O HETATM 1190 O HOH B 424 -10.565 -3.288 38.540 1.00 24.47 O HETATM 1191 O HOH B 425 -8.721 0.191 36.702 1.00 36.62 O HETATM 1192 O HOH B 426 -9.464 2.706 35.880 1.00 50.96 O HETATM 1193 O HOH B 427 -8.093 4.414 37.613 1.00 43.24 O HETATM 1194 O HOH B 428 -5.387 3.461 37.295 1.00 48.89 O HETATM 1195 O HOH B 446 -12.066 9.690 55.780 1.00 39.80 O HETATM 1196 O HOH C 329 13.800 16.663 53.739 1.00 32.66 O HETATM 1197 O HOH C 330 10.298 17.276 55.150 1.00 22.49 O HETATM 1198 O HOH C 331 8.369 16.808 57.180 1.00 39.64 O HETATM 1199 O HOH C 333 3.863 16.648 55.948 1.00 42.07 O HETATM 1200 O HOH C 334 0.751 16.504 53.728 1.00 29.24 O HETATM 1201 O HOH C 335 -3.580 15.901 51.306 1.00 32.95 O HETATM 1202 O HOH C 369 4.974 20.233 46.676 1.00 34.23 O HETATM 1203 O HOH C 372 1.071 18.286 45.530 1.00 40.69 O HETATM 1204 O HOH C 373 -0.754 20.284 46.528 1.00 32.13 O HETATM 1205 O HOH C 377 -2.558 16.269 39.636 1.00 26.67 O HETATM 1206 O HOH C 379 -0.058 13.190 36.752 1.00 50.17 O HETATM 1207 O HOH C 386 2.804 12.599 44.708 1.00 21.86 O HETATM 1208 O HOH C 387 1.697 11.021 42.666 1.00 45.01 O HETATM 1209 O HOH C 388 -6.473 9.149 43.721 1.00 37.59 O HETATM 1210 O HOH C 390 -8.706 15.383 43.995 1.00 51.11 O HETATM 1211 O HOH C 391 -4.365 20.729 43.892 1.00 27.15 O HETATM 1212 O HOH C 406 8.059 24.435 51.425 1.00 33.42 O HETATM 1213 O HOH C 407 5.583 23.023 51.089 1.00 35.13 O HETATM 1214 O HOH C 417 -5.207 -1.773 52.194 1.00 34.89 O HETATM 1215 O HOH C 419 -9.620 -1.373 51.343 1.00 32.87 O HETATM 1216 O HOH C 429 -4.425 3.876 42.145 1.00 37.83 O HETATM 1217 O HOH C 430 -4.217 -1.277 43.162 1.00 30.42 O HETATM 1218 O HOH C 431 -2.664 -5.897 45.184 1.00 39.33 O HETATM 1219 O HOH C 436 -0.322 3.611 50.696 1.00 31.83 O HETATM 1220 O HOH C 437 -3.070 0.966 52.360 1.00 45.68 O HETATM 1221 O HOH C 439 3.636 -5.810 50.761 1.00 34.41 O HETATM 1222 O HOH C 441 2.995 1.994 44.396 1.00 39.35 O HETATM 1223 O HOH A 301 6.469 13.671 28.667 1.00 28.00 O HETATM 1224 O HOH A 302 8.015 15.343 26.978 1.00 37.37 O HETATM 1225 O HOH A 303 9.485 17.684 27.543 1.00 34.52 O HETATM 1226 O HOH A 304 7.845 19.239 25.349 1.00 39.43 O HETATM 1227 O HOH A 305 5.296 19.079 27.270 1.00 27.10 O HETATM 1228 O HOH A 306 2.906 18.672 28.850 1.00 32.17 O HETATM 1229 O HOH A 307 4.251 14.344 30.624 1.00 54.15 O HETATM 1230 O HOH A 308 3.253 11.050 32.617 1.00 52.26 O HETATM 1231 O HOH A 309 0.409 11.261 31.983 1.00 44.40 O HETATM 1232 O HOH A 310 3.538 8.269 34.336 1.00 43.35 O HETATM 1233 O HOH A 311 12.429 10.344 31.430 1.00 40.19 O HETATM 1234 O HOH A 312 15.402 6.945 32.699 1.00 29.94 O HETATM 1235 O HOH A 313 12.505 4.775 37.722 1.00 30.72 O HETATM 1236 O HOH A 314 10.291 3.839 39.711 1.00 27.94 O HETATM 1237 O HOH A 315 8.518 4.395 37.499 1.00 27.53 O HETATM 1238 O HOH A 316 12.836 1.520 36.892 1.00 28.06 O HETATM 1239 O HOH A 317 13.384 0.262 39.316 1.00 43.28 O HETATM 1240 O HOH A 318 14.850 -4.330 46.853 1.00 32.69 O HETATM 1241 O HOH A 319 10.944 -4.602 49.132 1.00 46.84 O HETATM 1242 O HOH A 320 11.827 -5.417 51.668 1.00 48.14 O HETATM 1243 O HOH A 321 16.794 1.740 55.932 1.00 54.51 O HETATM 1244 O HOH A 322 19.061 -1.217 54.853 1.00 30.46 O HETATM 1245 O HOH A 323 15.299 4.932 58.777 1.00 43.47 O HETATM 1246 O HOH A 324 14.220 7.910 56.656 1.00 46.32 O HETATM 1247 O HOH A 325 15.069 11.400 55.160 1.00 36.18 O HETATM 1248 O HOH A 326 16.632 12.045 52.894 1.00 34.17 O HETATM 1249 O HOH A 327 17.145 13.217 50.089 1.00 43.58 O HETATM 1250 O HOH A 337 -6.621 10.379 60.186 1.00 40.36 O HETATM 1251 O HOH A 338 -7.949 12.293 62.955 1.00 42.93 O HETATM 1252 O HOH A 339 -6.187 13.509 64.858 1.00 47.77 O HETATM 1253 O HOH A 340 -4.790 7.183 71.549 1.00 37.79 O HETATM 1254 O HOH A 341 -4.205 5.282 73.452 1.00 48.61 O HETATM 1255 O HOH A 342 -1.748 7.879 76.845 1.00 36.48 O HETATM 1256 O HOH A 343 5.560 7.117 67.386 1.00 48.78 O HETATM 1257 O HOH A 350 7.561 5.623 52.330 1.00 21.40 O HETATM 1258 O HOH A 352 10.235 8.314 49.094 1.00 22.89 O HETATM 1259 O HOH A 353 9.851 10.674 46.071 1.00 24.79 O HETATM 1260 O HOH A 354 11.079 11.581 43.631 1.00 24.61 O HETATM 1261 O HOH A 355 12.089 13.876 42.883 1.00 33.47 O HETATM 1262 O HOH A 357 13.879 11.902 38.269 1.00 33.98 O HETATM 1263 O HOH A 358 11.900 15.864 39.147 1.00 24.34 O HETATM 1264 O HOH A 359 13.038 17.946 37.269 1.00 24.81 O HETATM 1265 O HOH A 362 17.033 23.981 38.383 1.00 29.70 O HETATM 1266 O HOH A 364 11.029 20.926 41.747 1.00 43.89 O HETATM 1267 O HOH A 365 8.251 21.931 41.364 1.00 28.61 O HETATM 1268 O HOH A 366 7.524 26.551 41.832 1.00 32.81 O HETATM 1269 O HOH A 368 6.809 22.158 48.074 1.00 38.29 O HETATM 1270 O HOH A 371 2.714 20.032 44.343 1.00 28.24 O HETATM 1271 O HOH A 374 1.617 22.489 44.017 1.00 43.91 O HETATM 1272 O HOH A 375 -0.967 17.038 43.721 1.00 26.94 O HETATM 1273 O HOH A 376 -0.083 15.878 41.361 1.00 35.70 O HETATM 1274 O HOH A 378 0.725 17.264 37.061 1.00 36.11 O HETATM 1275 O HOH A 380 3.891 11.341 40.599 1.00 25.75 O HETATM 1276 O HOH A 381 4.370 8.685 40.635 1.00 41.98 O HETATM 1277 O HOH A 382 2.514 7.829 43.583 1.00 36.27 O HETATM 1278 O HOH A 383 2.448 8.926 46.253 1.00 30.97 O HETATM 1279 O HOH A 384 5.684 8.971 46.088 1.00 18.85 O HETATM 1280 O HOH A 392 -1.787 21.661 33.451 1.00 26.49 O HETATM 1281 O HOH A 393 1.313 34.488 32.574 1.00 31.90 O HETATM 1282 O HOH A 394 6.980 31.613 32.190 1.00 27.03 O HETATM 1283 O HOH A 395 9.060 31.733 34.970 1.00 52.16 O HETATM 1284 O HOH A 396 11.526 26.228 34.355 1.00 31.60 O HETATM 1285 O HOH A 397 13.200 18.747 31.254 1.00 23.28 O HETATM 1286 O HOH A 398 16.655 15.987 38.847 1.00 31.53 O HETATM 1287 O HOH A 399 12.461 18.234 41.827 1.00 32.43 O HETATM 1288 O HOH A 400 20.762 10.103 42.479 1.00 50.47 O HETATM 1289 O HOH A 401 21.931 7.220 41.782 1.00 46.46 O HETATM 1290 O HOH A 402 17.610 8.628 49.759 1.00 33.11 O HETATM 1291 O HOH A 403 12.958 5.703 54.467 1.00 25.12 O HETATM 1292 O HOH A 409 1.485 6.479 55.416 1.00 33.97 O HETATM 1293 O HOH A 410 2.698 4.274 57.059 1.00 26.09 O HETATM 1294 O HOH A 412 7.275 3.054 59.042 1.00 35.78 O HETATM 1295 O HOH A 413 9.476 4.657 60.291 1.00 35.72 O HETATM 1296 O HOH A 414 3.376 -2.312 61.458 1.00 55.59 O HETATM 1297 O HOH A 415 0.537 -2.542 60.209 1.00 25.99 O HETATM 1298 O HOH A 416 -3.954 -1.480 55.318 1.00 40.99 O HETATM 1299 O HOH A 418 -7.242 0.044 51.544 1.00 40.83 O HETATM 1300 O HOH A 432 -1.020 -3.756 52.687 1.00 32.93 O HETATM 1301 O HOH A 433 1.042 -1.722 51.093 1.00 40.81 O HETATM 1302 O HOH A 434 2.371 0.457 50.213 1.00 26.71 O HETATM 1303 O HOH A 435 1.507 2.973 48.668 1.00 25.48 O HETATM 1304 O HOH A 438 2.603 0.992 53.844 1.00 35.22 O HETATM 1305 O HOH A 440 7.552 -0.022 44.851 1.00 35.07 O HETATM 1306 O HOH A 442 -3.048 5.997 56.851 1.00 28.18 O HETATM 1307 O HOH A 443 -6.910 7.889 55.336 1.00 34.85 O HETATM 1308 O HOH A 444 -9.993 8.739 57.525 1.00 27.25 O HETATM 1309 O HOH A 445 -9.992 6.179 56.609 1.00 36.04 O HETATM 1310 O HOH A 447 -18.580 8.261 61.416 1.00 44.28 O HETATM 1311 O HOH A 448 -13.153 0.018 57.590 1.00 34.27 O HETATM 1312 O HOH A 449 -10.502 -3.985 56.288 1.00 36.89 O HETATM 1313 O HOH A 450 -10.467 -1.271 55.945 1.00 55.75 O HETATM 1314 O HOH A 451 -7.136 -1.975 61.536 1.00 36.87 O HETATM 1315 O HOH A 452 20.959 9.694 36.709 1.00 38.73 O HETATM 1316 O HOH A 453 4.715 33.356 38.826 1.00 45.58 O CONECT 488 1161 CONECT 523 1161 CONECT 647 1161 CONECT 684 1161 CONECT 746 1162 CONECT 775 1162 CONECT 886 1162 CONECT 922 1162 CONECT 980 1163 CONECT 1002 1163 CONECT 1117 1163 CONECT 1151 1163 CONECT 1161 488 523 647 684 CONECT 1162 746 775 886 922 CONECT 1163 980 1002 1117 1151 END