USER MOD reduce.3.24.130724 H: found=0, std=0, add=949, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER TRANSCRIPTION/DNA 10-DEC-97 1A1K TITLE RADR (ZIF268 VARIANT) ZINC FINGER-DNA COMPLEX (GACC SITE) COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*AP*CP*C)-3'); COMPND 3 CHAIN: B; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: DNA (5'-D(*TP*GP*GP*TP*CP*CP*CP*AP*CP*GP*C)-3'); COMPND 7 CHAIN: C; COMPND 8 ENGINEERED: YES; COMPND 9 MOL_ID: 3; COMPND 0 MOLECULE: RADR ZIF268 VARIANT; COMPND 1 CHAIN: A; COMPND 2 FRAGMENT: ZINC FINGER; COMPND 3 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 COMPLEX (ZINC FINGER/DNA), ZINC FINGER, DNA-BINDING PROTEIN, KEYWDS 2 TRANSCRIPTION/DNA COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR M.ELROD-ERICKSON,T.E.BENSON,C.O.PABO REVDAT 2 24-FEB-09 1A1K 1 VERSN REVDAT 1 10-JUN-98 1A1K 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. 1.90 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.8 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.90 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) (%) : 78.5 REMARK 3 NUMBER OF REFLECTIONS : 9890 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : BASED REMARK 3 R VALUE (WORKING SET) : 0.210 REMARK 3 FREE R VALUE : 0.259 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.900 REMARK 3 FREE R VALUE TEST SET COUNT : 1079 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) : 1.90 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.99 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 58.20 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 773 REMARK 3 BIN R VALUE (WORKING SET) : 0.3300 REMARK 3 BIN FREE R VALUE : 0.3230 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 13.30 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 119 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 : 708 REMARK 3 NUCLEIC ACID ATOMS : 445 REMARK 3 HETEROGEN ATOMS : 3 REMARK 3 SOLVENT ATOMS : 121 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 31.90 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.72900 REMARK 3 B22 (A**2) : 9.65400 REMARK 3 B33 (A**2) : 4.52600 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.006 REMARK 3 BOND ANGLES (DEGREES) : 1.14 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 19.80 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.40 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) : 0.820 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 1.449 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 1.395 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 2.385 ; 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 1A1K 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 : JUN-97 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 : 23142 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.900 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 (%) : 79.9 REMARK 200 DATA REDUNDANCY : 2.300 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.03400 REMARK 200 FOR THE DATA SET : 24.7000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.90 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.97 REMARK 200 COMPLETENESS FOR SHELL (%) : 63.8 REMARK 200 DATA REDUNDANCY IN SHELL : 1.90 REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.25800 REMARK 200 FOR SHELL : 3.100 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: 25% PEG 1450, 25 MM MES PH 6.2 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 65.20000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 65.20000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 21.35000 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 27.75000 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 21.35000 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 27.75000 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 65.20000 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 21.35000 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 27.75000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 65.20000 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 21.35000 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 27.75000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: B, C, A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 MET A 101 REMARK 465 GLU A 102 REMARK 465 GLN A 188 REMARK 465 LYS A 189 REMARK 465 ASP A 190 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 DG C 52 C3' - C2' - C1' ANGL. DEV. = -5.8 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 DC B 3 0.06 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 201 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 107 SG REMARK 620 2 CYS A 112 SG 109.8 REMARK 620 3 HIS A 125 NE2 98.6 121.2 REMARK 620 4 HIS A 129 NE2 104.1 119.4 100.6 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 202 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 137 SG REMARK 620 2 CYS A 140 SG 118.5 REMARK 620 3 HIS A 153 NE2 107.3 107.8 REMARK 620 4 HIS A 157 NE2 111.1 112.5 97.4 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 203 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 165 SG REMARK 620 2 CYS A 168 SG 119.9 REMARK 620 3 HIS A 181 NE2 110.4 96.3 REMARK 620 4 HIS A 185 NE2 107.5 116.8 104.2 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 1A1K A 102 190 UNP P08046 EGR1_MOUSE 308 396 DBREF 1A1K B 1 11 PDB 1A1K 1A1K 1 11 DBREF 1A1K C 51 61 PDB 1A1K 1A1K 51 61 SEQADV 1A1K ALA A 120 UNP P08046 ASP 326 VARIANT SEQADV 1A1K ASP A 121 UNP P08046 GLU 327 VARIANT SEQRES 1 B 11 DA DG DC DG DT DG DG DG DA DC DC SEQRES 1 C 11 DT DG DG DT DC DC DC DA DC DG DC SEQRES 1 A 90 MET GLU ARG PRO TYR ALA CYS PRO VAL GLU SER CYS ASP SEQRES 2 A 90 ARG ARG PHE SER 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 *121(H2 O) HELIX 1 1 SER A 119 THR A 130 1 12 HELIX 2 2 SER A 147 THR A 158 1 12 HELIX 3 3 SER A 175 HIS A 185 1 11 SHEET 1 A 2 TYR A 105 ALA A 106 0 SHEET 2 A 2 ARG A 115 PHE A 116 -1 N PHE A 116 O TYR A 105 SHEET 1 B 2 PHE A 135 GLN A 136 0 SHEET 2 B 2 ASN A 143 PHE A 144 -1 N PHE A 144 O PHE A 135 SHEET 1 C 2 PHE A 163 ALA A 164 0 SHEET 2 C 2 LYS A 171 PHE A 172 -1 O PHE A 172 N PHE A 163 LINK ZN ZN A 201 SG CYS A 107 1555 1555 2.30 LINK ZN ZN A 201 SG CYS A 112 1555 1555 2.31 LINK ZN ZN A 201 NE2 HIS A 125 1555 1555 2.10 LINK ZN ZN A 201 NE2 HIS A 129 1555 1555 1.90 LINK ZN ZN A 202 SG CYS A 137 1555 1555 2.06 LINK ZN ZN A 202 SG CYS A 140 1555 1555 2.19 LINK ZN ZN A 202 NE2 HIS A 153 1555 1555 2.02 LINK ZN ZN A 202 NE2 HIS A 157 1555 1555 2.11 LINK ZN ZN A 203 SG CYS A 165 1555 1555 2.16 LINK ZN ZN A 203 SG CYS A 168 1555 1555 2.28 LINK ZN ZN A 203 NE2 HIS A 181 1555 1555 2.17 LINK ZN ZN A 203 NE2 HIS A 185 1555 1555 1.91 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 42.700 55.500 130.400 90.00 90.00 90.00 C 2 2 21 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.023419 0.000000 0.000000 0.00000 SCALE2 0.000000 0.018018 0.000000 0.00000 SCALE3 0.000000 0.000000 0.007669 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= 1.76 K(o=1.1,f=-11!) USER MOD Set 1.2: B 5 DT C7 :methyl -30:sc= -0.683 (180deg=-0.371) USER MOD Set 2.1: A 147 SER OG : rot -138:sc= 2.02 USER MOD Set 2.2: C 54 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot -38:sc= 1.34 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 130 THR OG1 : rot 178:sc= 0.647 USER MOD Single : A 132 GLN : amide:sc= 1.54 K(o=1.5,f=-3.3!) USER MOD Single : A 133 LYS NZ :NH3+ 172:sc= -0.0006 (180deg=-0.0272) USER MOD Single : A 136 GLN : amide:sc= -0.0117 X(o=-0.012,f=-0.44) USER MOD Single : A 141 MET CE :methyl -151:sc= -0.0243 (180deg=-0.379) USER MOD Single : A 143 ASN : amide:sc= 0.891 K(o=0.89,f=-0.035) USER MOD Single : A 145 SER OG : rot 148:sc= 2.33 USER MOD Single : A 151 THR OG1 : rot 159:sc= 1.17 USER MOD Single : A 152 THR OG1 : rot 2:sc= 2.08 USER MOD Single : A 156 THR OG1 : rot -83:sc= 2.42 USER MOD Single : A 158 THR OG1 : rot -160:sc= 0.956 USER MOD Single : A 161 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 171 LYS NZ :NH3+ -146:sc= -0.18 (180deg=-0.959) USER MOD Single : A 175 SER OG : rot -143:sc= 2.35 USER MOD Single : A 179 LYS NZ :NH3+ -178:sc= 1.5 (180deg=1.49) USER MOD Single : A 182 THR OG1 : rot 72:sc= 0.661 USER MOD Single : A 183 LYS NZ :NH3+ 169:sc= -0.177 (180deg=-0.599) USER MOD Single : B 1 DA O5' : rot 92:sc= 1.45 USER MOD Single : B 11 DC O3' : rot -64:sc= 2.25 USER MOD Single : C 51 DT C7 :methyl -30:sc= 0 (180deg=-0.00552) USER MOD Single : C 51 DT O5' : rot 180:sc= -0.006 USER MOD Single : C 61 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA B 1 11.869 23.989 40.325 1.00 27.55 O ATOM 2 C5' DA B 1 13.033 24.531 39.708 1.00 26.55 C ATOM 3 C4' DA B 1 14.265 23.815 40.205 1.00 26.33 C ATOM 4 O4' DA B 1 14.507 24.166 41.588 1.00 25.60 O ATOM 5 C3' DA B 1 14.168 22.291 40.169 1.00 26.81 C ATOM 6 O3' DA B 1 15.439 21.736 39.835 1.00 29.48 O ATOM 7 C2' DA B 1 13.811 21.931 41.597 1.00 25.77 C ATOM 8 C1' DA B 1 14.550 22.997 42.388 1.00 23.46 C ATOM 9 N9 DA B 1 13.915 23.318 43.659 1.00 20.97 N ATOM 10 C8 DA B 1 14.385 23.081 44.927 1.00 19.69 C ATOM 11 N7 DA B 1 13.586 23.510 45.872 1.00 18.98 N ATOM 12 C5 DA B 1 12.514 24.059 45.183 1.00 19.46 C ATOM 13 C6 DA B 1 11.329 24.665 45.611 1.00 19.56 C ATOM 14 N6 DA B 1 11.001 24.830 46.897 1.00 21.29 N ATOM 15 N1 DA B 1 10.467 25.099 44.660 1.00 20.95 N ATOM 16 C2 DA B 1 10.786 24.919 43.375 1.00 19.37 C ATOM 17 N3 DA B 1 11.869 24.357 42.851 1.00 19.89 N ATOM 18 C4 DA B 1 12.704 23.944 43.819 1.00 19.96 C ATOM 0 H5' DA B 1 13.100 25.479 39.904 1.00 26.55 H new ATOM 0 H5'' DA B 1 12.967 24.445 38.744 1.00 26.55 H new ATOM 0 H4' DA B 1 14.974 24.094 39.605 1.00 26.33 H new ATOM 0 H3' DA B 1 13.529 21.961 39.518 1.00 26.81 H new ATOM 0 H2' DA B 1 12.854 21.963 41.751 1.00 25.77 H new ATOM 0 H2'' DA B 1 14.106 21.037 41.830 1.00 25.77 H new ATOM 0 HO5' DA B 1 11.695 24.421 41.024 1.00 27.55 H new ATOM 0 H1' DA B 1 15.443 22.675 42.587 1.00 23.46 H new ATOM 0 H8 DA B 1 15.194 22.656 45.099 1.00 19.69 H new ATOM 0 H61 DA B 1 10.258 25.210 47.106 1.00 21.29 H new ATOM 0 H62 DA B 1 11.533 24.556 47.515 1.00 21.29 H new ATOM 0 H2 DA B 1 10.161 25.231 42.761 1.00 19.37 H new ATOM 19 P DG B 2 15.566 20.166 39.533 1.00 32.18 P ATOM 20 OP1 DG B 2 16.914 19.889 38.962 1.00 31.80 O ATOM 21 OP2 DG B 2 14.341 19.763 38.787 1.00 31.51 O ATOM 22 O5' DG B 2 15.537 19.507 40.977 1.00 29.96 O ATOM 23 C5' DG B 2 16.706 19.513 41.783 1.00 26.96 C ATOM 24 C4' DG B 2 16.538 18.575 42.950 1.00 25.90 C ATOM 25 O4' DG B 2 15.712 19.166 43.970 1.00 25.21 O ATOM 26 C3' DG B 2 15.897 17.231 42.619 1.00 25.56 C ATOM 27 O3' DG B 2 16.555 16.247 43.409 1.00 27.79 O ATOM 28 C2' DG B 2 14.466 17.406 43.089 1.00 24.47 C ATOM 29 C1' DG B 2 14.685 18.257 44.320 1.00 22.85 C ATOM 30 N9 DG B 2 13.550 19.045 44.764 1.00 20.14 N ATOM 31 C8 DG B 2 12.591 19.632 43.985 1.00 18.88 C ATOM 32 N7 DG B 2 11.739 20.335 44.675 1.00 18.83 N ATOM 33 C5 DG B 2 12.152 20.186 45.989 1.00 18.22 C ATOM 34 C6 DG B 2 11.617 20.720 47.187 1.00 18.78 C ATOM 35 O6 DG B 2 10.636 21.456 47.332 1.00 20.66 O ATOM 36 N1 DG B 2 12.346 20.316 48.298 1.00 18.42 N ATOM 37 C2 DG B 2 13.439 19.497 48.260 1.00 18.02 C ATOM 38 N2 DG B 2 13.984 19.207 49.435 1.00 18.06 N ATOM 39 N3 DG B 2 13.954 18.997 47.149 1.00 18.41 N ATOM 40 C4 DG B 2 13.260 19.380 46.060 1.00 18.59 C ATOM 0 H5' DG B 2 16.881 20.411 42.104 1.00 26.96 H new ATOM 0 H5'' DG B 2 17.474 19.247 41.253 1.00 26.96 H new ATOM 0 H4' DG B 2 17.450 18.418 43.242 1.00 25.90 H new ATOM 0 H3' DG B 2 15.950 16.968 41.687 1.00 25.56 H new ATOM 0 H2' DG B 2 13.912 17.849 42.428 1.00 24.47 H new ATOM 0 H2'' DG B 2 14.039 16.560 43.296 1.00 24.47 H new ATOM 0 H1' DG B 2 14.880 17.653 45.053 1.00 22.85 H new ATOM 0 H8 DG B 2 12.552 19.539 43.061 1.00 18.88 H new ATOM 0 H1 DG B 2 12.090 20.603 49.067 1.00 18.42 H new ATOM 0 H21 DG B 2 14.674 18.696 49.474 1.00 18.06 H new ATOM 0 H22 DG B 2 13.647 19.530 50.157 1.00 18.06 H new ATOM 41 P DC B 3 16.285 14.696 43.136 1.00 28.71 P ATOM 42 OP1 DC B 3 17.551 13.976 43.422 1.00 28.75 O ATOM 43 OP2 DC B 3 15.613 14.536 41.817 1.00 29.21 O ATOM 44 O5' DC B 3 15.245 14.332 44.275 1.00 26.76 O ATOM 45 C5' DC B 3 15.592 14.540 45.644 1.00 23.17 C ATOM 46 C4' DC B 3 14.375 14.369 46.517 1.00 20.79 C ATOM 47 O4' DC B 3 13.568 15.573 46.565 1.00 20.27 O ATOM 48 C3' DC B 3 13.429 13.237 46.099 1.00 19.81 C ATOM 49 O3' DC B 3 12.996 12.582 47.280 1.00 20.01 O ATOM 50 C2' DC B 3 12.228 13.987 45.555 1.00 18.84 C ATOM 51 C1' DC B 3 12.234 15.123 46.550 1.00 18.39 C ATOM 52 N1 DC B 3 11.333 16.260 46.339 1.00 16.26 N ATOM 53 C2 DC B 3 10.968 17.032 47.453 1.00 16.37 C ATOM 54 O2 DC B 3 11.521 16.817 48.543 1.00 16.19 O ATOM 55 N3 DC B 3 10.029 17.988 47.316 1.00 15.54 N ATOM 56 C4 DC B 3 9.471 18.203 46.126 1.00 15.13 C ATOM 57 N4 DC B 3 8.513 19.122 46.053 1.00 15.62 N ATOM 58 C5 DC B 3 9.866 17.479 44.962 1.00 14.66 C ATOM 59 C6 DC B 3 10.800 16.530 45.111 1.00 15.27 C ATOM 0 H5' DC B 3 15.960 15.430 45.760 1.00 23.17 H new ATOM 0 H5'' DC B 3 16.281 13.911 45.910 1.00 23.17 H new ATOM 0 H4' DC B 3 14.761 14.152 47.380 1.00 20.79 H new ATOM 0 H3' DC B 3 13.825 12.601 45.483 1.00 19.81 H new ATOM 0 H2' DC B 3 12.348 14.283 44.639 1.00 18.84 H new ATOM 0 H2'' DC B 3 11.411 13.465 45.579 1.00 18.84 H new ATOM 0 H1' DC B 3 11.889 14.763 47.382 1.00 18.39 H new ATOM 0 H41 DC B 3 8.131 19.286 45.300 1.00 15.62 H new ATOM 0 H42 DC B 3 8.275 19.552 46.759 1.00 15.62 H new ATOM 0 H5 DC B 3 9.489 17.659 44.131 1.00 14.66 H new ATOM 0 H6 DC B 3 11.089 16.049 44.369 1.00 15.27 H new ATOM 60 P DG B 4 12.958 10.987 47.345 1.00 21.25 P ATOM 61 OP1 DG B 4 14.278 10.464 46.964 1.00 21.89 O ATOM 62 OP2 DG B 4 11.750 10.503 46.639 1.00 22.14 O ATOM 63 O5' DG B 4 12.724 10.728 48.898 1.00 21.88 O ATOM 64 C5' DG B 4 13.578 11.344 49.883 1.00 21.56 C ATOM 65 C4' DG B 4 12.775 11.768 51.090 1.00 19.58 C ATOM 66 O4' DG B 4 12.066 13.005 50.835 1.00 18.76 O ATOM 67 C3' DG B 4 11.729 10.751 51.530 1.00 19.60 C ATOM 68 O3' DG B 4 11.774 10.591 52.940 1.00 20.35 O ATOM 69 C2' DG B 4 10.414 11.371 51.091 1.00 19.11 C ATOM 70 C1' DG B 4 10.694 12.861 51.154 1.00 17.72 C ATOM 71 N9 DG B 4 9.935 13.630 50.175 1.00 17.22 N ATOM 72 C8 DG B 4 10.079 13.579 48.813 1.00 14.94 C ATOM 73 N7 DG B 4 9.275 14.385 48.185 1.00 15.21 N ATOM 74 C5 DG B 4 8.548 15.009 49.192 1.00 15.54 C ATOM 75 C6 DG B 4 7.514 15.990 49.119 1.00 15.12 C ATOM 76 O6 DG B 4 7.020 16.517 48.121 1.00 15.59 O ATOM 77 N1 DG B 4 7.053 16.347 50.379 1.00 15.84 N ATOM 78 C2 DG B 4 7.519 15.833 51.558 1.00 15.25 C ATOM 79 N2 DG B 4 6.953 16.325 52.665 1.00 15.88 N ATOM 80 N3 DG B 4 8.470 14.913 51.643 1.00 15.29 N ATOM 81 C4 DG B 4 8.939 14.551 50.428 1.00 15.80 C ATOM 0 H5' DG B 4 14.023 12.115 49.497 1.00 21.56 H new ATOM 0 H5'' DG B 4 14.272 10.722 50.152 1.00 21.56 H new ATOM 0 H4' DG B 4 13.436 11.864 51.794 1.00 19.58 H new ATOM 0 H3' DG B 4 11.864 9.869 51.150 1.00 19.60 H new ATOM 0 H2' DG B 4 10.167 11.091 50.196 1.00 19.11 H new ATOM 0 H2'' DG B 4 9.685 11.118 51.679 1.00 19.11 H new ATOM 0 H1' DG B 4 10.447 13.191 52.032 1.00 17.72 H new ATOM 0 H8 DG B 4 10.689 13.025 48.382 1.00 14.94 H new ATOM 0 H1 DG B 4 6.427 16.936 50.421 1.00 15.84 H new ATOM 0 H21 DG B 4 7.203 16.042 53.438 1.00 15.88 H new ATOM 0 H22 DG B 4 6.339 16.924 52.604 1.00 15.88 H new ATOM 82 P DT B 5 11.102 9.310 53.607 1.00 20.88 P ATOM 83 OP1 DT B 5 11.667 9.190 54.962 1.00 21.36 O ATOM 84 OP2 DT B 5 11.190 8.167 52.676 1.00 22.02 O ATOM 85 O5' DT B 5 9.574 9.727 53.693 1.00 21.62 O ATOM 86 C5' DT B 5 9.168 10.896 54.425 1.00 23.17 C ATOM 87 C4' DT B 5 7.671 11.077 54.323 1.00 23.33 C ATOM 88 O4' DT B 5 7.306 11.947 53.222 1.00 23.21 O ATOM 89 C3' DT B 5 6.903 9.769 54.103 1.00 24.37 C ATOM 90 O3' DT B 5 5.712 9.771 54.894 1.00 24.99 O ATOM 91 C2' DT B 5 6.527 9.838 52.633 1.00 23.49 C ATOM 92 C1' DT B 5 6.249 11.320 52.517 1.00 22.09 C ATOM 93 N1 DT B 5 6.182 11.879 51.157 1.00 19.53 N ATOM 94 C2 DT B 5 5.335 12.938 50.960 1.00 19.02 C ATOM 95 O2 DT B 5 4.700 13.461 51.856 1.00 20.42 O ATOM 96 N3 DT B 5 5.255 13.369 49.671 1.00 18.19 N ATOM 97 C4 DT B 5 5.931 12.871 48.581 1.00 17.49 C ATOM 98 O4 DT B 5 5.731 13.356 47.470 1.00 18.76 O ATOM 99 C5 DT B 5 6.834 11.786 48.864 1.00 17.08 C ATOM 100 C7 DT B 5 7.646 11.206 47.751 1.00 15.86 C ATOM 101 C6 DT B 5 6.912 11.346 50.124 1.00 17.85 C ATOM 0 H5' DT B 5 9.620 11.679 54.075 1.00 23.17 H new ATOM 0 H5'' DT B 5 9.428 10.811 55.356 1.00 23.17 H new ATOM 0 H4' DT B 5 7.427 11.460 55.180 1.00 23.33 H new ATOM 0 H3' DT B 5 7.412 8.978 54.341 1.00 24.37 H new ATOM 0 H2' DT B 5 7.246 9.547 52.050 1.00 23.49 H new ATOM 0 H2'' DT B 5 5.752 9.295 52.420 1.00 23.49 H new ATOM 0 H1' DT B 5 5.359 11.479 52.869 1.00 22.09 H new ATOM 0 H3 DT B 5 4.722 14.027 49.521 1.00 18.19 H new ATOM 0 H71 DT B 5 7.159 11.292 46.916 1.00 15.86 H new ATOM 0 H72 DT B 5 8.489 11.681 47.684 1.00 15.86 H new ATOM 0 H73 DT B 5 7.817 10.268 47.930 1.00 15.86 H new ATOM 0 H6 DT B 5 7.491 10.642 50.310 1.00 17.85 H new ATOM 102 P DG B 6 5.125 8.390 55.457 1.00 24.88 P ATOM 103 OP1 DG B 6 6.041 7.886 56.503 1.00 25.52 O ATOM 104 OP2 DG B 6 4.744 7.507 54.323 1.00 24.13 O ATOM 105 O5' DG B 6 3.805 8.858 56.195 1.00 25.88 O ATOM 106 C5' DG B 6 3.786 10.082 56.935 1.00 26.18 C ATOM 107 C4' DG B 6 2.485 10.804 56.690 1.00 26.32 C ATOM 108 O4' DG B 6 2.487 11.471 55.405 1.00 26.72 O ATOM 109 C3' DG B 6 1.272 9.881 56.682 1.00 27.31 C ATOM 110 O3' DG B 6 0.199 10.531 57.344 1.00 28.88 O ATOM 111 C2' DG B 6 0.972 9.697 55.204 1.00 26.00 C ATOM 112 C1' DG B 6 1.378 11.040 54.626 1.00 24.88 C ATOM 113 N9 DG B 6 1.806 10.995 53.230 1.00 22.64 N ATOM 114 C8 DG B 6 2.777 10.190 52.691 1.00 21.95 C ATOM 115 N7 DG B 6 2.952 10.385 51.415 1.00 20.66 N ATOM 116 C5 DG B 6 2.040 11.378 51.091 1.00 20.30 C ATOM 117 C6 DG B 6 1.770 12.002 49.851 1.00 19.49 C ATOM 118 O6 DG B 6 2.312 11.806 48.757 1.00 19.11 O ATOM 119 N1 DG B 6 0.758 12.945 49.964 1.00 18.85 N ATOM 120 C2 DG B 6 0.094 13.250 51.123 1.00 19.07 C ATOM 121 N2 DG B 6 -0.858 14.185 51.034 1.00 18.98 N ATOM 122 N3 DG B 6 0.342 12.681 52.286 1.00 20.27 N ATOM 123 C4 DG B 6 1.320 11.760 52.197 1.00 20.87 C ATOM 0 H5' DG B 6 4.532 10.642 56.669 1.00 26.18 H new ATOM 0 H5'' DG B 6 3.891 9.899 57.882 1.00 26.18 H new ATOM 0 H4' DG B 6 2.416 11.432 57.426 1.00 26.32 H new ATOM 0 H3' DG B 6 1.414 9.034 57.132 1.00 27.31 H new ATOM 0 H2' DG B 6 1.482 8.967 54.819 1.00 26.00 H new ATOM 0 H2'' DG B 6 0.035 9.503 55.046 1.00 26.00 H new ATOM 0 H1' DG B 6 0.606 11.627 54.652 1.00 24.88 H new ATOM 0 H8 DG B 6 3.261 9.569 53.186 1.00 21.95 H new ATOM 0 H1 DG B 6 0.530 13.370 49.252 1.00 18.85 H new ATOM 0 H21 DG B 6 -1.304 14.412 51.733 1.00 18.98 H new ATOM 0 H22 DG B 6 -1.024 14.559 50.278 1.00 18.98 H new ATOM 124 P DG B 7 -1.115 9.705 57.712 1.00 31.04 P ATOM 125 OP1 DG B 7 -1.468 10.076 59.101 1.00 32.06 O ATOM 126 OP2 DG B 7 -0.885 8.276 57.360 1.00 31.64 O ATOM 127 O5' DG B 7 -2.203 10.312 56.722 1.00 31.00 O ATOM 128 C5' DG B 7 -2.449 11.725 56.705 1.00 30.84 C ATOM 129 C4' DG B 7 -3.501 12.066 55.679 1.00 31.04 C ATOM 130 O4' DG B 7 -2.953 12.040 54.346 1.00 30.18 O ATOM 131 C3' DG B 7 -4.718 11.149 55.652 1.00 32.84 C ATOM 132 O3' DG B 7 -5.876 11.967 55.476 1.00 36.07 O ATOM 133 C2' DG B 7 -4.463 10.261 54.441 1.00 30.54 C ATOM 134 C1' DG B 7 -3.746 11.215 53.511 1.00 27.93 C ATOM 135 N9 DG B 7 -2.856 10.632 52.515 1.00 25.82 N ATOM 136 C8 DG B 7 -1.882 9.683 52.708 1.00 24.80 C ATOM 137 N7 DG B 7 -1.184 9.440 51.630 1.00 23.98 N ATOM 138 C5 DG B 7 -1.750 10.259 50.665 1.00 22.58 C ATOM 139 C6 DG B 7 -1.416 10.433 49.302 1.00 21.22 C ATOM 140 O6 DG B 7 -0.528 9.878 48.652 1.00 21.29 O ATOM 141 N1 DG B 7 -2.249 11.362 48.685 1.00 20.65 N ATOM 142 C2 DG B 7 -3.283 12.023 49.300 1.00 21.37 C ATOM 143 N2 DG B 7 -3.994 12.858 48.536 1.00 21.27 N ATOM 144 N3 DG B 7 -3.603 11.872 50.573 1.00 22.58 N ATOM 145 C4 DG B 7 -2.797 10.983 51.190 1.00 23.81 C ATOM 0 H5' DG B 7 -1.627 12.199 56.504 1.00 30.84 H new ATOM 0 H5'' DG B 7 -2.738 12.019 57.583 1.00 30.84 H new ATOM 0 H4' DG B 7 -3.792 12.950 55.953 1.00 31.04 H new ATOM 0 H3' DG B 7 -4.856 10.622 56.455 1.00 32.84 H new ATOM 0 H2' DG B 7 -3.919 9.489 54.663 1.00 30.54 H new ATOM 0 H2'' DG B 7 -5.287 9.925 54.055 1.00 30.54 H new ATOM 0 H1' DG B 7 -4.437 11.659 52.995 1.00 27.93 H new ATOM 0 H8 DG B 7 -1.734 9.257 53.522 1.00 24.80 H new ATOM 0 H1 DG B 7 -2.105 11.535 47.855 1.00 20.65 H new ATOM 0 H21 DG B 7 -4.652 13.296 48.875 1.00 21.27 H new ATOM 0 H22 DG B 7 -3.793 12.958 47.706 1.00 21.27 H new ATOM 146 P DG B 8 -7.334 11.346 55.682 1.00 38.49 P ATOM 147 OP1 DG B 8 -8.002 12.132 56.753 1.00 40.21 O ATOM 148 OP2 DG B 8 -7.232 9.864 55.797 1.00 39.02 O ATOM 149 O5' DG B 8 -8.028 11.664 54.296 1.00 38.34 O ATOM 150 C5' DG B 8 -7.254 11.605 53.108 1.00 38.45 C ATOM 151 C4' DG B 8 -8.123 11.849 51.904 1.00 38.31 C ATOM 152 O4' DG B 8 -7.288 11.618 50.754 1.00 37.44 O ATOM 153 C3' DG B 8 -9.284 10.868 51.774 1.00 38.94 C ATOM 154 O3' DG B 8 -10.345 11.502 51.047 1.00 41.34 O ATOM 155 C2' DG B 8 -8.663 9.703 51.025 1.00 36.89 C ATOM 156 C1' DG B 8 -7.624 10.382 50.144 1.00 34.97 C ATOM 157 N9 DG B 8 -6.392 9.620 50.006 1.00 31.58 N ATOM 158 C8 DG B 8 -5.734 8.907 50.980 1.00 29.22 C ATOM 159 N7 DG B 8 -4.672 8.298 50.532 1.00 27.88 N ATOM 160 C5 DG B 8 -4.625 8.635 49.186 1.00 27.96 C ATOM 161 C6 DG B 8 -3.717 8.253 48.170 1.00 26.92 C ATOM 162 O6 DG B 8 -2.738 7.516 48.258 1.00 28.01 O ATOM 163 N1 DG B 8 -4.047 8.819 46.943 1.00 25.96 N ATOM 164 C2 DG B 8 -5.120 9.641 46.719 1.00 25.86 C ATOM 165 N2 DG B 8 -5.283 10.069 45.463 1.00 25.28 N ATOM 166 N3 DG B 8 -5.974 10.008 47.656 1.00 27.12 N ATOM 167 C4 DG B 8 -5.672 9.466 48.854 1.00 28.86 C ATOM 0 H5' DG B 8 -6.827 10.737 53.036 1.00 38.45 H new ATOM 0 H5'' DG B 8 -6.546 12.267 53.143 1.00 38.45 H new ATOM 0 H4' DG B 8 -8.490 12.743 51.982 1.00 38.31 H new ATOM 0 H3' DG B 8 -9.678 10.577 52.611 1.00 38.94 H new ATOM 0 H2' DG B 8 -8.258 9.061 51.630 1.00 36.89 H new ATOM 0 H2'' DG B 8 -9.321 9.221 50.499 1.00 36.89 H new ATOM 0 H1' DG B 8 -8.012 10.477 49.260 1.00 34.97 H new ATOM 0 H8 DG B 8 -6.017 8.864 51.865 1.00 29.22 H new ATOM 0 H1 DG B 8 -3.538 8.639 46.273 1.00 25.96 H new ATOM 0 H21 DG B 8 -5.941 10.587 45.267 1.00 25.28 H new ATOM 0 H22 DG B 8 -4.730 9.826 44.851 1.00 25.28 H new ATOM 168 P DA B 9 -11.675 10.678 50.667 1.00 42.94 P ATOM 169 OP1 DA B 9 -12.837 11.576 50.893 1.00 42.88 O ATOM 170 OP2 DA B 9 -11.629 9.334 51.328 1.00 43.51 O ATOM 171 O5' DA B 9 -11.507 10.455 49.105 1.00 40.72 O ATOM 172 C5' DA B 9 -10.241 10.060 48.586 1.00 38.97 C ATOM 173 C4' DA B 9 -10.332 9.862 47.098 1.00 36.77 C ATOM 174 O4' DA B 9 -9.057 9.357 46.659 1.00 35.57 O ATOM 175 C3' DA B 9 -11.359 8.814 46.696 1.00 36.16 C ATOM 176 O3' DA B 9 -11.926 9.164 45.435 1.00 37.46 O ATOM 177 C2' DA B 9 -10.556 7.530 46.634 1.00 35.04 C ATOM 178 C1' DA B 9 -9.155 7.997 46.274 1.00 33.97 C ATOM 179 N9 DA B 9 -8.127 7.267 47.008 1.00 31.70 N ATOM 180 C8 DA B 9 -8.110 6.974 48.350 1.00 30.36 C ATOM 181 N7 DA B 9 -7.062 6.288 48.723 1.00 30.27 N ATOM 182 C5 DA B 9 -6.336 6.124 47.550 1.00 29.70 C ATOM 183 C6 DA B 9 -5.122 5.490 47.276 1.00 29.23 C ATOM 184 N6 DA B 9 -4.388 4.874 48.204 1.00 29.85 N ATOM 185 N1 DA B 9 -4.673 5.514 45.999 1.00 29.06 N ATOM 186 C2 DA B 9 -5.408 6.139 45.071 1.00 27.68 C ATOM 187 N3 DA B 9 -6.565 6.772 45.209 1.00 28.89 N ATOM 188 C4 DA B 9 -6.981 6.727 46.486 1.00 29.70 C ATOM 0 H5' DA B 9 -9.951 9.238 49.012 1.00 38.97 H new ATOM 0 H5'' DA B 9 -9.575 10.735 48.790 1.00 38.97 H new ATOM 0 H4' DA B 9 -10.586 10.712 46.705 1.00 36.77 H new ATOM 0 H3' DA B 9 -12.107 8.733 47.308 1.00 36.16 H new ATOM 0 H2' DA B 9 -10.568 7.061 47.483 1.00 35.04 H new ATOM 0 H2'' DA B 9 -10.910 6.920 45.968 1.00 35.04 H new ATOM 0 H1' DA B 9 -9.016 7.854 45.325 1.00 33.97 H new ATOM 0 H8 DA B 9 -8.781 7.239 48.937 1.00 30.36 H new ATOM 0 H61 DA B 9 -3.646 4.497 47.986 1.00 29.85 H new ATOM 0 H62 DA B 9 -4.657 4.853 49.021 1.00 29.85 H new ATOM 0 H2 DA B 9 -5.058 6.128 44.209 1.00 27.68 H new ATOM 189 P DC B 10 -13.086 8.256 44.800 1.00 36.89 P ATOM 190 OP1 DC B 10 -14.008 9.159 44.070 1.00 37.12 O ATOM 191 OP2 DC B 10 -13.620 7.343 45.852 1.00 37.20 O ATOM 192 O5' DC B 10 -12.286 7.384 43.743 1.00 35.97 O ATOM 193 C5' DC B 10 -11.415 8.014 42.796 1.00 33.60 C ATOM 194 C4' DC B 10 -10.671 6.961 42.015 1.00 32.40 C ATOM 195 O4' DC B 10 -9.602 6.405 42.825 1.00 31.93 O ATOM 196 C3' DC B 10 -11.556 5.781 41.602 1.00 31.96 C ATOM 197 O3' DC B 10 -11.296 5.432 40.243 1.00 31.33 O ATOM 198 C2' DC B 10 -11.143 4.669 42.552 1.00 30.14 C ATOM 199 C1' DC B 10 -9.676 4.991 42.779 1.00 29.62 C ATOM 200 N1 DC B 10 -9.114 4.462 44.027 1.00 26.47 N ATOM 201 C2 DC B 10 -7.938 3.706 43.966 1.00 25.28 C ATOM 202 O2 DC B 10 -7.386 3.529 42.872 1.00 24.14 O ATOM 203 N3 DC B 10 -7.434 3.188 45.104 1.00 24.88 N ATOM 204 C4 DC B 10 -8.050 3.408 46.269 1.00 23.72 C ATOM 205 N4 DC B 10 -7.520 2.871 47.363 1.00 21.77 N ATOM 206 C5 DC B 10 -9.235 4.187 46.358 1.00 24.03 C ATOM 207 C6 DC B 10 -9.727 4.694 45.222 1.00 25.87 C ATOM 0 H5' DC B 10 -10.787 8.593 43.256 1.00 33.60 H new ATOM 0 H5'' DC B 10 -11.929 8.574 42.193 1.00 33.60 H new ATOM 0 H4' DC B 10 -10.341 7.409 41.221 1.00 32.40 H new ATOM 0 H3' DC B 10 -12.506 5.971 41.655 1.00 31.96 H new ATOM 0 H2' DC B 10 -11.652 4.687 43.377 1.00 30.14 H new ATOM 0 H2'' DC B 10 -11.267 3.790 42.161 1.00 30.14 H new ATOM 0 H1' DC B 10 -9.162 4.578 42.068 1.00 29.62 H new ATOM 0 H41 DC B 10 -7.894 2.995 48.127 1.00 21.77 H new ATOM 0 H42 DC B 10 -6.803 2.399 47.306 1.00 21.77 H new ATOM 0 H5 DC B 10 -9.653 4.339 47.175 1.00 24.03 H new ATOM 0 H6 DC B 10 -10.499 5.212 45.248 1.00 25.87 H new ATOM 208 P DC B 11 -12.159 4.277 39.537 1.00 31.73 P ATOM 209 OP1 DC B 11 -12.308 4.632 38.091 1.00 30.62 O ATOM 210 OP2 DC B 11 -13.374 4.012 40.361 1.00 29.64 O ATOM 211 O5' DC B 11 -11.179 3.028 39.621 1.00 30.42 O ATOM 212 C5' DC B 11 -9.925 3.057 38.924 1.00 28.65 C ATOM 213 C4' DC B 11 -9.233 1.722 39.033 1.00 26.93 C ATOM 214 O4' DC B 11 -8.742 1.556 40.384 1.00 26.24 O ATOM 215 C3' DC B 11 -10.128 0.512 38.744 1.00 26.17 C ATOM 216 O3' DC B 11 -9.465 -0.495 37.989 1.00 25.53 O ATOM 217 C2' DC B 11 -10.383 -0.072 40.121 1.00 26.10 C ATOM 218 C1' DC B 11 -9.093 0.264 40.838 1.00 24.68 C ATOM 219 N1 DC B 11 -9.189 0.305 42.303 1.00 23.90 N ATOM 220 C2 DC B 11 -8.140 -0.229 43.063 1.00 22.08 C ATOM 221 O2 DC B 11 -7.158 -0.736 42.482 1.00 21.90 O ATOM 222 N3 DC B 11 -8.220 -0.188 44.406 1.00 21.27 N ATOM 223 C4 DC B 11 -9.288 0.341 44.997 1.00 20.65 C ATOM 224 N4 DC B 11 -9.315 0.347 46.328 1.00 20.13 N ATOM 225 C5 DC B 11 -10.374 0.881 44.253 1.00 21.71 C ATOM 226 C6 DC B 11 -10.284 0.847 42.919 1.00 23.20 C ATOM 0 H5' DC B 11 -9.359 3.753 39.293 1.00 28.65 H new ATOM 0 H5'' DC B 11 -10.072 3.277 37.991 1.00 28.65 H new ATOM 0 H4' DC B 11 -8.532 1.741 38.363 1.00 26.93 H new ATOM 0 H3' DC B 11 -10.912 0.782 38.241 1.00 26.17 H new ATOM 0 H2' DC B 11 -11.154 0.330 40.550 1.00 26.10 H new ATOM 0 H2'' DC B 11 -10.543 -1.028 40.088 1.00 26.10 H new ATOM 0 HO3' DC B 11 -9.271 -0.194 37.229 1.00 25.53 H new ATOM 0 H1' DC B 11 -8.446 -0.432 40.642 1.00 24.68 H new ATOM 0 H41 DC B 11 -9.990 0.681 46.743 1.00 20.13 H new ATOM 0 H42 DC B 11 -8.657 0.017 46.773 1.00 20.13 H new ATOM 0 H5 DC B 11 -11.118 1.244 44.678 1.00 21.71 H new ATOM 0 H6 DC B 11 -10.975 1.196 42.403 1.00 23.20 H new TER 227 DC B 11 ATOM 228 O5' DT C 51 -3.740 -7.242 54.516 1.00 42.69 O ATOM 229 C5' DT C 51 -4.707 -7.194 53.465 1.00 40.94 C ATOM 230 C4' DT C 51 -4.145 -7.783 52.193 1.00 40.19 C ATOM 231 O4' DT C 51 -5.094 -7.601 51.122 1.00 38.69 O ATOM 232 C3' DT C 51 -2.858 -7.121 51.714 1.00 40.60 C ATOM 233 O3' DT C 51 -2.048 -8.088 51.044 1.00 42.77 O ATOM 234 C2' DT C 51 -3.348 -6.049 50.757 1.00 39.02 C ATOM 235 C1' DT C 51 -4.618 -6.650 50.175 1.00 36.29 C ATOM 236 N1 DT C 51 -5.683 -5.659 49.995 1.00 32.93 N ATOM 237 C2 DT C 51 -6.168 -5.421 48.734 1.00 30.54 C ATOM 238 O2 DT C 51 -5.722 -5.953 47.731 1.00 30.31 O ATOM 239 N3 DT C 51 -7.197 -4.524 48.686 1.00 28.47 N ATOM 240 C4 DT C 51 -7.762 -3.845 49.740 1.00 28.97 C ATOM 241 O4 DT C 51 -8.698 -3.078 49.533 1.00 29.20 O ATOM 242 C5 DT C 51 -7.183 -4.115 51.029 1.00 28.54 C ATOM 243 C7 DT C 51 -7.714 -3.403 52.229 1.00 28.73 C ATOM 244 C6 DT C 51 -6.188 -4.999 51.094 1.00 30.40 C ATOM 0 H5' DT C 51 -4.977 -6.275 53.310 1.00 40.94 H new ATOM 0 H5'' DT C 51 -5.502 -7.682 53.729 1.00 40.94 H new ATOM 0 H4' DT C 51 -3.963 -8.712 52.403 1.00 40.19 H new ATOM 0 H3' DT C 51 -2.313 -6.753 52.427 1.00 40.60 H new ATOM 0 H2' DT C 51 -3.526 -5.214 51.217 1.00 39.02 H new ATOM 0 H2'' DT C 51 -2.693 -5.859 50.067 1.00 39.02 H new ATOM 0 HO5' DT C 51 -4.068 -6.910 55.214 1.00 42.69 H new ATOM 0 H1' DT C 51 -4.406 -7.028 49.307 1.00 36.29 H new ATOM 0 H3 DT C 51 -7.529 -4.366 47.909 1.00 28.47 H new ATOM 0 H71 DT C 51 -8.049 -2.531 51.966 1.00 28.73 H new ATOM 0 H72 DT C 51 -8.435 -3.921 52.620 1.00 28.73 H new ATOM 0 H73 DT C 51 -7.004 -3.293 52.881 1.00 28.73 H new ATOM 0 H6 DT C 51 -5.814 -5.180 51.926 1.00 30.40 H new ATOM 245 P DG C 52 -0.508 -7.757 50.725 1.00 44.42 P ATOM 246 OP1 DG C 52 0.095 -8.999 50.145 1.00 43.67 O ATOM 247 OP2 DG C 52 0.082 -7.142 51.952 1.00 42.90 O ATOM 248 O5' DG C 52 -0.589 -6.638 49.586 1.00 41.91 O ATOM 249 C5' DG C 52 -0.785 -6.996 48.204 1.00 37.54 C ATOM 250 C4' DG C 52 -0.783 -5.754 47.346 1.00 35.03 C ATOM 251 O4' DG C 52 -2.086 -5.121 47.279 1.00 33.52 O ATOM 252 C3' DG C 52 0.168 -4.674 47.856 1.00 34.08 C ATOM 253 O3' DG C 52 0.584 -3.903 46.746 1.00 35.79 O ATOM 254 C2' DG C 52 -0.771 -3.761 48.610 1.00 32.97 C ATOM 255 C1' DG C 52 -1.873 -3.758 47.581 1.00 30.71 C ATOM 256 N9 DG C 52 -3.132 -3.148 47.973 1.00 27.09 N ATOM 257 C8 DG C 52 -3.599 -2.923 49.244 1.00 25.32 C ATOM 258 N7 DG C 52 -4.711 -2.242 49.261 1.00 24.28 N ATOM 259 C5 DG C 52 -5.007 -2.033 47.920 1.00 23.30 C ATOM 260 C6 DG C 52 -6.085 -1.341 47.310 1.00 21.88 C ATOM 261 O6 DG C 52 -7.024 -0.756 47.847 1.00 21.16 O ATOM 262 N1 DG C 52 -5.992 -1.369 45.924 1.00 20.90 N ATOM 263 C2 DG C 52 -4.992 -1.990 45.216 1.00 21.62 C ATOM 264 N2 DG C 52 -5.069 -1.907 43.876 1.00 22.28 N ATOM 265 N3 DG C 52 -3.989 -2.642 45.774 1.00 22.72 N ATOM 266 C4 DG C 52 -4.056 -2.616 47.117 1.00 24.28 C ATOM 0 H5' DG C 52 -1.626 -7.469 48.100 1.00 37.54 H new ATOM 0 H5'' DG C 52 -0.083 -7.599 47.915 1.00 37.54 H new ATOM 0 H4' DG C 52 -0.502 -6.080 46.477 1.00 35.03 H new ATOM 0 H3' DG C 52 0.925 -5.026 48.350 1.00 34.08 H new ATOM 0 H2' DG C 52 -1.048 -4.119 49.468 1.00 32.97 H new ATOM 0 H2'' DG C 52 -0.399 -2.881 48.777 1.00 32.97 H new ATOM 0 H1' DG C 52 -1.584 -3.207 46.837 1.00 30.71 H new ATOM 0 H8 DG C 52 -3.168 -3.224 50.011 1.00 25.32 H new ATOM 0 H1 DG C 52 -6.606 -0.968 45.476 1.00 20.90 H new ATOM 0 H21 DG C 52 -4.467 -2.279 43.387 1.00 22.28 H new ATOM 0 H22 DG C 52 -5.720 -1.482 43.508 1.00 22.28 H new ATOM 267 P DG C 53 1.962 -4.225 46.020 1.00 35.46 P ATOM 268 OP1 DG C 53 2.047 -5.691 45.820 1.00 36.33 O ATOM 269 OP2 DG C 53 3.025 -3.519 46.761 1.00 34.64 O ATOM 270 O5' DG C 53 1.733 -3.536 44.607 1.00 35.34 O ATOM 271 C5' DG C 53 0.651 -3.971 43.758 1.00 32.50 C ATOM 272 C4' DG C 53 0.066 -2.799 43.008 1.00 30.56 C ATOM 273 O4' DG C 53 -1.065 -2.224 43.705 1.00 29.26 O ATOM 274 C3' DG C 53 1.040 -1.652 42.748 1.00 30.09 C ATOM 275 O3' DG C 53 0.948 -1.246 41.381 1.00 31.50 O ATOM 276 C2' DG C 53 0.544 -0.557 43.677 1.00 28.27 C ATOM 277 C1' DG C 53 -0.944 -0.822 43.670 1.00 26.95 C ATOM 278 N9 DG C 53 -1.688 -0.278 44.794 1.00 25.46 N ATOM 279 C8 DG C 53 -1.412 -0.422 46.132 1.00 25.02 C ATOM 280 N7 DG C 53 -2.262 0.200 46.898 1.00 24.35 N ATOM 281 C5 DG C 53 -3.155 0.787 46.011 1.00 24.09 C ATOM 282 C6 DG C 53 -4.291 1.589 46.252 1.00 23.39 C ATOM 283 O6 DG C 53 -4.747 1.960 47.333 1.00 24.45 O ATOM 284 N1 DG C 53 -4.915 1.967 45.070 1.00 23.32 N ATOM 285 C2 DG C 53 -4.491 1.625 43.813 1.00 23.89 C ATOM 286 N2 DG C 53 -5.224 2.093 42.787 1.00 24.54 N ATOM 287 N3 DG C 53 -3.429 0.878 43.575 1.00 24.23 N ATOM 288 C4 DG C 53 -2.814 0.498 44.713 1.00 23.98 C ATOM 0 H5' DG C 53 -0.037 -4.396 44.294 1.00 32.50 H new ATOM 0 H5'' DG C 53 0.973 -4.636 43.130 1.00 32.50 H new ATOM 0 H4' DG C 53 -0.191 -3.190 42.158 1.00 30.56 H new ATOM 0 H3' DG C 53 1.969 -1.881 42.906 1.00 30.09 H new ATOM 0 H2' DG C 53 0.925 -0.630 44.566 1.00 28.27 H new ATOM 0 H2'' DG C 53 0.760 0.329 43.347 1.00 28.27 H new ATOM 0 H1' DG C 53 -1.320 -0.388 42.889 1.00 26.95 H new ATOM 0 H8 DG C 53 -0.692 -0.913 46.457 1.00 25.02 H new ATOM 0 H1 DG C 53 -5.622 2.453 45.132 1.00 23.32 H new ATOM 0 H21 DG C 53 -5.000 1.907 41.978 1.00 24.54 H new ATOM 0 H22 DG C 53 -5.917 2.579 42.940 1.00 24.54 H new ATOM 289 P DT C 54 2.113 -0.345 40.731 1.00 32.22 P ATOM 290 OP1 DT C 54 2.499 -0.947 39.424 1.00 31.63 O ATOM 291 OP2 DT C 54 3.154 -0.092 41.764 1.00 32.73 O ATOM 292 O5' DT C 54 1.374 1.034 40.475 1.00 31.33 O ATOM 293 C5' DT C 54 0.045 1.039 39.962 1.00 30.44 C ATOM 294 C4' DT C 54 -0.568 2.402 40.136 1.00 29.30 C ATOM 295 O4' DT C 54 -1.222 2.516 41.422 1.00 27.87 O ATOM 296 C3' DT C 54 0.433 3.552 40.049 1.00 29.75 C ATOM 297 O3' DT C 54 -0.104 4.551 39.186 1.00 32.46 O ATOM 298 C2' DT C 54 0.494 4.067 41.479 1.00 28.27 C ATOM 299 C1' DT C 54 -0.924 3.787 41.944 1.00 25.99 C ATOM 300 N1 DT C 54 -1.166 3.754 43.396 1.00 23.06 N ATOM 301 C2 DT C 54 -2.309 4.357 43.854 1.00 21.59 C ATOM 302 O2 DT C 54 -3.139 4.856 43.123 1.00 21.63 O ATOM 303 N3 DT C 54 -2.457 4.355 45.209 1.00 20.93 N ATOM 304 C4 DT C 54 -1.610 3.823 46.137 1.00 21.73 C ATOM 305 O4 DT C 54 -1.878 3.943 47.328 1.00 22.74 O ATOM 306 C5 DT C 54 -0.434 3.163 45.592 1.00 22.20 C ATOM 307 C7 DT C 54 0.540 2.516 46.525 1.00 22.85 C ATOM 308 C6 DT C 54 -0.275 3.163 44.262 1.00 22.65 C ATOM 0 H5' DT C 54 -0.490 0.374 40.423 1.00 30.44 H new ATOM 0 H5'' DT C 54 0.052 0.797 39.023 1.00 30.44 H new ATOM 0 H4' DT C 54 -1.196 2.478 39.400 1.00 29.30 H new ATOM 0 H3' DT C 54 1.304 3.300 39.705 1.00 29.75 H new ATOM 0 H2' DT C 54 1.155 3.597 42.011 1.00 28.27 H new ATOM 0 H2'' DT C 54 0.715 5.011 41.521 1.00 28.27 H new ATOM 0 H1' DT C 54 -1.477 4.523 41.638 1.00 25.99 H new ATOM 0 H3 DT C 54 -3.167 4.733 45.514 1.00 20.93 H new ATOM 0 H71 DT C 54 0.963 1.764 46.082 1.00 22.85 H new ATOM 0 H72 DT C 54 1.217 3.160 46.784 1.00 22.85 H new ATOM 0 H73 DT C 54 0.073 2.204 47.316 1.00 22.85 H new ATOM 0 H6 DT C 54 0.475 2.743 43.906 1.00 22.65 H new ATOM 309 P DC C 55 0.835 5.251 38.087 1.00 33.29 P ATOM 310 OP1 DC C 55 0.368 4.848 36.739 1.00 34.26 O ATOM 311 OP2 DC C 55 2.260 5.026 38.482 1.00 33.79 O ATOM 312 O5' DC C 55 0.483 6.781 38.284 1.00 33.10 O ATOM 313 C5' DC C 55 -0.087 7.196 39.523 1.00 33.56 C ATOM 314 C4' DC C 55 -1.317 8.027 39.278 1.00 32.24 C ATOM 315 O4' DC C 55 -2.319 7.581 40.216 1.00 31.85 O ATOM 316 C3' DC C 55 -1.061 9.501 39.567 1.00 32.99 C ATOM 317 O3' DC C 55 -1.510 10.394 38.564 1.00 34.47 O ATOM 318 C2' DC C 55 -1.766 9.784 40.877 1.00 32.50 C ATOM 319 C1' DC C 55 -2.611 8.571 41.188 1.00 30.28 C ATOM 320 N1 DC C 55 -2.146 8.076 42.484 1.00 28.55 N ATOM 321 C2 DC C 55 -2.912 8.338 43.605 1.00 27.64 C ATOM 322 O2 DC C 55 -4.017 8.881 43.457 1.00 28.99 O ATOM 323 N3 DC C 55 -2.440 7.989 44.823 1.00 26.88 N ATOM 324 C4 DC C 55 -1.261 7.379 44.931 1.00 26.46 C ATOM 325 N4 DC C 55 -0.824 7.085 46.155 1.00 26.46 N ATOM 326 C5 DC C 55 -0.476 7.051 43.789 1.00 26.48 C ATOM 327 C6 DC C 55 -0.954 7.413 42.594 1.00 27.23 C ATOM 0 H5' DC C 55 0.562 7.709 40.029 1.00 33.56 H new ATOM 0 H5'' DC C 55 -0.315 6.420 40.058 1.00 33.56 H new ATOM 0 H4' DC C 55 -1.586 7.929 38.351 1.00 32.24 H new ATOM 0 H3' DC C 55 -0.103 9.652 39.600 1.00 32.99 H new ATOM 0 H2' DC C 55 -1.124 9.947 41.585 1.00 32.50 H new ATOM 0 H2'' DC C 55 -2.318 10.579 40.806 1.00 32.50 H new ATOM 0 H1' DC C 55 -3.559 8.776 41.193 1.00 30.28 H new ATOM 0 H41 DC C 55 -0.066 6.691 46.258 1.00 26.46 H new ATOM 0 H42 DC C 55 -1.300 7.289 46.842 1.00 26.46 H new ATOM 0 H5 DC C 55 0.335 6.604 43.871 1.00 26.48 H new ATOM 0 H6 DC C 55 -0.469 7.211 41.826 1.00 27.23 H new ATOM 328 P DC C 56 -1.020 11.917 38.625 1.00 34.97 P ATOM 329 OP1 DC C 56 -1.174 12.511 37.268 1.00 35.75 O ATOM 330 OP2 DC C 56 0.321 11.890 39.264 1.00 34.47 O ATOM 331 O5' DC C 56 -2.030 12.596 39.662 1.00 33.51 O ATOM 332 C5' DC C 56 -3.457 12.461 39.505 1.00 30.68 C ATOM 333 C4' DC C 56 -4.177 13.052 40.697 1.00 29.51 C ATOM 334 O4' DC C 56 -3.866 12.277 41.879 1.00 29.20 O ATOM 335 C3' DC C 56 -3.822 14.503 41.036 1.00 28.90 C ATOM 336 O3' DC C 56 -5.002 15.207 41.463 1.00 28.49 O ATOM 337 C2' DC C 56 -2.833 14.357 42.181 1.00 28.20 C ATOM 338 C1' DC C 56 -3.355 13.126 42.901 1.00 27.37 C ATOM 339 N1 DC C 56 -2.333 12.372 43.654 1.00 25.16 N ATOM 340 C2 DC C 56 -2.466 12.242 45.049 1.00 23.70 C ATOM 341 O2 DC C 56 -3.431 12.773 45.616 1.00 22.22 O ATOM 342 N3 DC C 56 -1.534 11.541 45.741 1.00 23.13 N ATOM 343 C4 DC C 56 -0.509 10.974 45.096 1.00 22.46 C ATOM 344 N4 DC C 56 0.368 10.276 45.814 1.00 20.57 N ATOM 345 C5 DC C 56 -0.345 11.097 43.682 1.00 23.15 C ATOM 346 C6 DC C 56 -1.270 11.797 43.007 1.00 24.85 C ATOM 0 H5' DC C 56 -3.691 11.524 39.410 1.00 30.68 H new ATOM 0 H5'' DC C 56 -3.743 12.908 38.693 1.00 30.68 H new ATOM 0 H4' DC C 56 -5.113 13.031 40.443 1.00 29.51 H new ATOM 0 H3' DC C 56 -3.460 15.003 40.288 1.00 28.90 H new ATOM 0 H2' DC C 56 -1.925 14.233 41.862 1.00 28.20 H new ATOM 0 H2'' DC C 56 -2.827 15.138 42.756 1.00 28.20 H new ATOM 0 H1' DC C 56 -4.008 13.412 43.559 1.00 27.37 H new ATOM 0 H41 DC C 56 1.038 9.900 45.427 1.00 20.57 H new ATOM 0 H42 DC C 56 0.265 10.201 46.665 1.00 20.57 H new ATOM 0 H5 DC C 56 0.377 10.706 43.245 1.00 23.15 H new ATOM 0 H6 DC C 56 -1.189 11.894 42.086 1.00 24.85 H new ATOM 347 P DC C 57 -5.072 16.818 41.358 1.00 28.68 P ATOM 348 OP1 DC C 57 -6.490 17.222 41.195 1.00 28.25 O ATOM 349 OP2 DC C 57 -4.042 17.314 40.398 1.00 27.33 O ATOM 350 O5' DC C 57 -4.637 17.301 42.800 1.00 29.46 O ATOM 351 C5' DC C 57 -3.948 16.412 43.664 1.00 30.20 C ATOM 352 C4' DC C 57 -4.285 16.729 45.095 1.00 28.48 C ATOM 353 O4' DC C 57 -3.606 15.741 45.891 1.00 27.86 O ATOM 354 C3' DC C 57 -3.757 18.086 45.546 1.00 28.69 C ATOM 355 O3' DC C 57 -4.668 18.681 46.477 1.00 30.41 O ATOM 356 C2' DC C 57 -2.403 17.752 46.150 1.00 26.98 C ATOM 357 C1' DC C 57 -2.570 16.324 46.650 1.00 25.54 C ATOM 358 N1 DC C 57 -1.391 15.474 46.481 1.00 23.35 N ATOM 359 C2 DC C 57 -0.865 14.832 47.595 1.00 22.86 C ATOM 360 O2 DC C 57 -1.416 14.991 48.699 1.00 22.09 O ATOM 361 N3 DC C 57 0.227 14.059 47.452 1.00 21.30 N ATOM 362 C4 DC C 57 0.793 13.920 46.256 1.00 20.92 C ATOM 363 N4 DC C 57 1.890 13.165 46.179 1.00 21.70 N ATOM 364 C5 DC C 57 0.271 14.551 45.096 1.00 19.99 C ATOM 365 C6 DC C 57 -0.814 15.312 45.253 1.00 22.60 C ATOM 0 H5' DC C 57 -2.991 16.488 43.524 1.00 30.20 H new ATOM 0 H5'' DC C 57 -4.193 15.496 43.461 1.00 30.20 H new ATOM 0 H4' DC C 57 -5.250 16.736 45.190 1.00 28.48 H new ATOM 0 H3' DC C 57 -3.671 18.742 44.836 1.00 28.69 H new ATOM 0 H2' DC C 57 -1.694 17.818 45.492 1.00 26.98 H new ATOM 0 H2'' DC C 57 -2.176 18.358 46.873 1.00 26.98 H new ATOM 0 H1' DC C 57 -2.745 16.378 47.602 1.00 25.54 H new ATOM 0 H41 DC C 57 2.283 13.053 45.422 1.00 21.70 H new ATOM 0 H42 DC C 57 2.205 12.790 46.886 1.00 21.70 H new ATOM 0 H5 DC C 57 0.668 14.439 44.263 1.00 19.99 H new ATOM 0 H6 DC C 57 -1.184 15.739 44.514 1.00 22.60 H new ATOM 366 P DA C 58 -4.489 20.225 46.906 1.00 32.43 P ATOM 367 OP1 DA C 58 -5.810 20.840 47.213 1.00 34.34 O ATOM 368 OP2 DA C 58 -3.567 20.894 45.948 1.00 33.22 O ATOM 369 O5' DA C 58 -3.757 20.122 48.304 1.00 32.39 O ATOM 370 C5' DA C 58 -2.969 18.991 48.610 1.00 32.01 C ATOM 371 C4' DA C 58 -2.428 19.127 50.003 1.00 30.67 C ATOM 372 O4' DA C 58 -1.370 18.162 50.110 1.00 29.13 O ATOM 373 C3' DA C 58 -1.788 20.494 50.230 1.00 31.83 C ATOM 374 O3' DA C 58 -1.928 20.874 51.608 1.00 34.28 O ATOM 375 C2' DA C 58 -0.350 20.276 49.806 1.00 29.69 C ATOM 376 C1' DA C 58 -0.112 18.806 50.123 1.00 27.41 C ATOM 377 N9 DA C 58 0.724 18.144 49.133 1.00 23.08 N ATOM 378 C8 DA C 58 0.813 18.410 47.796 1.00 20.58 C ATOM 379 N7 DA C 58 1.704 17.682 47.174 1.00 20.70 N ATOM 380 C5 DA C 58 2.227 16.872 48.169 1.00 19.79 C ATOM 381 C6 DA C 58 3.218 15.889 48.160 1.00 18.96 C ATOM 382 N6 DA C 58 3.921 15.550 47.074 1.00 18.28 N ATOM 383 N1 DA C 58 3.482 15.259 49.325 1.00 19.01 N ATOM 384 C2 DA C 58 2.802 15.616 50.420 1.00 17.84 C ATOM 385 N3 DA C 58 1.859 16.532 50.555 1.00 19.95 N ATOM 386 C4 DA C 58 1.616 17.132 49.377 1.00 21.18 C ATOM 0 H5' DA C 58 -2.240 18.910 47.975 1.00 32.01 H new ATOM 0 H5'' DA C 58 -3.501 18.183 48.536 1.00 32.01 H new ATOM 0 H4' DA C 58 -3.148 19.007 50.641 1.00 30.67 H new ATOM 0 H3' DA C 58 -2.194 21.221 49.732 1.00 31.83 H new ATOM 0 H2' DA C 58 -0.222 20.464 48.863 1.00 29.69 H new ATOM 0 H2'' DA C 58 0.259 20.851 50.295 1.00 29.69 H new ATOM 0 H1' DA C 58 0.339 18.754 50.980 1.00 27.41 H new ATOM 0 H8 DA C 58 0.289 19.049 47.368 1.00 20.58 H new ATOM 0 H61 DA C 58 4.521 14.936 47.125 1.00 18.28 H new ATOM 0 H62 DA C 58 3.773 15.946 46.325 1.00 18.28 H new ATOM 0 H2 DA C 58 3.024 15.154 51.196 1.00 17.84 H new ATOM 387 P DC C 59 -1.420 22.321 52.107 1.00 36.15 P ATOM 388 OP1 DC C 59 -2.544 22.968 52.841 1.00 34.92 O ATOM 389 OP2 DC C 59 -0.737 23.045 50.985 1.00 35.25 O ATOM 390 O5' DC C 59 -0.291 21.952 53.157 1.00 35.73 O ATOM 391 C5' DC C 59 -0.287 20.669 53.794 1.00 35.92 C ATOM 392 C4' DC C 59 1.128 20.274 54.132 1.00 35.08 C ATOM 393 O4' DC C 59 1.776 19.548 53.057 1.00 33.77 O ATOM 394 C3' DC C 59 2.024 21.467 54.446 1.00 35.73 C ATOM 395 O3' DC C 59 2.680 21.206 55.675 1.00 39.08 O ATOM 396 C2' DC C 59 3.008 21.496 53.284 1.00 33.68 C ATOM 397 C1' DC C 59 3.100 20.025 52.940 1.00 31.78 C ATOM 398 N1 DC C 59 3.602 19.676 51.597 1.00 29.16 N ATOM 399 C2 DC C 59 4.510 18.611 51.476 1.00 26.96 C ATOM 400 O2 DC C 59 4.860 18.002 52.496 1.00 26.96 O ATOM 401 N3 DC C 59 4.982 18.275 50.254 1.00 24.96 N ATOM 402 C4 DC C 59 4.582 18.955 49.176 1.00 24.84 C ATOM 403 N4 DC C 59 5.072 18.585 47.987 1.00 23.92 N ATOM 404 C5 DC C 59 3.663 20.044 49.266 1.00 25.56 C ATOM 405 C6 DC C 59 3.200 20.367 50.485 1.00 27.70 C ATOM 0 H5' DC C 59 -0.686 20.006 53.209 1.00 35.92 H new ATOM 0 H5'' DC C 59 -0.826 20.697 54.600 1.00 35.92 H new ATOM 0 H4' DC C 59 1.029 19.712 54.917 1.00 35.08 H new ATOM 0 H3' DC C 59 1.559 22.313 54.537 1.00 35.73 H new ATOM 0 H2' DC C 59 2.681 22.026 52.540 1.00 33.68 H new ATOM 0 H2'' DC C 59 3.867 21.867 53.541 1.00 33.68 H new ATOM 0 H1' DC C 59 3.755 19.630 53.537 1.00 31.78 H new ATOM 0 H41 DC C 59 4.833 19.003 47.275 1.00 23.92 H new ATOM 0 H42 DC C 59 5.625 17.929 47.935 1.00 23.92 H new ATOM 0 H5 DC C 59 3.395 20.512 48.509 1.00 25.56 H new ATOM 0 H6 DC C 59 2.598 21.070 50.575 1.00 27.70 H new ATOM 406 P DG C 60 3.495 22.372 56.415 1.00 41.38 P ATOM 407 OP1 DG C 60 2.961 22.461 57.802 1.00 41.58 O ATOM 408 OP2 DG C 60 3.554 23.596 55.563 1.00 41.22 O ATOM 409 O5' DG C 60 4.960 21.757 56.457 1.00 39.84 O ATOM 410 C5' DG C 60 5.154 20.344 56.661 1.00 38.02 C ATOM 411 C4' DG C 60 6.587 19.980 56.368 1.00 37.08 C ATOM 412 O4' DG C 60 6.744 19.599 54.980 1.00 35.26 O ATOM 413 C3' DG C 60 7.539 21.152 56.609 1.00 37.72 C ATOM 414 O3' DG C 60 8.680 20.733 57.346 1.00 41.10 O ATOM 415 C2' DG C 60 7.940 21.593 55.212 1.00 35.44 C ATOM 416 C1' DG C 60 7.845 20.299 54.425 1.00 32.46 C ATOM 417 N9 DG C 60 7.582 20.501 53.008 1.00 27.41 N ATOM 418 C8 DG C 60 6.672 21.366 52.453 1.00 26.35 C ATOM 419 N7 DG C 60 6.687 21.354 51.150 1.00 25.74 N ATOM 420 C5 DG C 60 7.657 20.414 50.826 1.00 23.44 C ATOM 421 C6 DG C 60 8.118 19.966 49.558 1.00 21.55 C ATOM 422 O6 DG C 60 7.744 20.323 48.438 1.00 19.57 O ATOM 423 N1 DG C 60 9.119 19.002 49.686 1.00 20.81 N ATOM 424 C2 DG C 60 9.608 18.528 50.888 1.00 21.42 C ATOM 425 N2 DG C 60 10.583 17.605 50.819 1.00 20.28 N ATOM 426 N3 DG C 60 9.178 18.937 52.072 1.00 22.63 N ATOM 427 C4 DG C 60 8.212 19.873 51.966 1.00 24.37 C ATOM 0 H5' DG C 60 4.559 19.840 56.084 1.00 38.02 H new ATOM 0 H5'' DG C 60 4.931 20.107 57.575 1.00 38.02 H new ATOM 0 H4' DG C 60 6.803 19.247 56.965 1.00 37.08 H new ATOM 0 H3' DG C 60 7.129 21.864 57.125 1.00 37.72 H new ATOM 0 H2' DG C 60 7.344 22.274 54.862 1.00 35.44 H new ATOM 0 H2'' DG C 60 8.836 21.963 55.193 1.00 35.44 H new ATOM 0 H1' DG C 60 8.691 19.828 54.485 1.00 32.46 H new ATOM 0 H8 DG C 60 6.104 21.905 52.955 1.00 26.35 H new ATOM 0 H1 DG C 60 9.456 18.679 48.964 1.00 20.81 H new ATOM 0 H21 DG C 60 10.919 17.280 51.541 1.00 20.28 H new ATOM 0 H22 DG C 60 10.870 17.340 50.053 1.00 20.28 H new ATOM 428 P DC C 61 9.626 21.834 58.033 1.00 42.92 P ATOM 429 OP1 DC C 61 9.737 21.480 59.481 1.00 41.86 O ATOM 430 OP2 DC C 61 9.158 23.196 57.629 1.00 41.49 O ATOM 431 O5' DC C 61 11.030 21.578 57.330 1.00 40.91 O ATOM 432 C5' DC C 61 11.601 20.257 57.300 1.00 38.06 C ATOM 433 C4' DC C 61 12.685 20.190 56.254 1.00 35.18 C ATOM 434 O4' DC C 61 12.082 20.179 54.933 1.00 33.15 O ATOM 435 C3' DC C 61 13.619 21.404 56.293 1.00 34.49 C ATOM 436 O3' DC C 61 14.966 21.031 56.025 1.00 34.91 O ATOM 437 C2' DC C 61 13.120 22.261 55.144 1.00 33.31 C ATOM 438 C1' DC C 61 12.717 21.180 54.159 1.00 31.88 C ATOM 439 N1 DC C 61 11.827 21.572 53.045 1.00 28.08 N ATOM 440 C2 DC C 61 12.091 21.041 51.792 1.00 25.44 C ATOM 441 O2 DC C 61 12.974 20.182 51.687 1.00 25.73 O ATOM 442 N3 DC C 61 11.379 21.457 50.728 1.00 24.67 N ATOM 443 C4 DC C 61 10.417 22.355 50.885 1.00 23.46 C ATOM 444 N4 DC C 61 9.772 22.760 49.790 1.00 21.82 N ATOM 445 C5 DC C 61 10.078 22.878 52.167 1.00 24.08 C ATOM 446 C6 DC C 61 10.804 22.462 53.214 1.00 25.74 C ATOM 0 H5' DC C 61 10.912 19.603 57.105 1.00 38.06 H new ATOM 0 H5'' DC C 61 11.966 20.034 58.170 1.00 38.06 H new ATOM 0 H4' DC C 61 13.194 19.385 56.439 1.00 35.18 H new ATOM 0 H3' DC C 61 13.612 21.841 57.159 1.00 34.49 H new ATOM 0 H2' DC C 61 12.374 22.825 55.400 1.00 33.31 H new ATOM 0 H2'' DC C 61 13.809 22.845 54.791 1.00 33.31 H new ATOM 0 HO3' DC C 61 15.456 21.713 56.051 1.00 34.91 H new ATOM 0 H1' DC C 61 13.526 20.901 53.703 1.00 31.88 H new ATOM 0 H41 DC C 61 9.142 23.342 49.853 1.00 21.82 H new ATOM 0 H42 DC C 61 9.986 22.439 49.021 1.00 21.82 H new ATOM 0 H5 DC C 61 9.381 23.484 52.273 1.00 24.08 H new ATOM 0 H6 DC C 61 10.609 22.783 54.065 1.00 25.74 H new TER 447 DC C 61 ATOM 448 N ARG A 103 -14.775 8.293 59.931 1.00 67.86 N ATOM 449 CA ARG A 103 -14.335 8.762 61.234 1.00 67.38 C ATOM 450 C ARG A 103 -14.312 7.765 62.400 1.00 66.78 C ATOM 451 O ARG A 103 -13.702 8.043 63.440 1.00 66.45 O ATOM 452 CB ARG A 103 -15.071 10.047 61.605 1.00 67.93 C ATOM 453 CG ARG A 103 -14.273 11.256 61.193 1.00 68.45 C ATOM 454 CD ARG A 103 -12.888 11.122 61.798 1.00 69.47 C ATOM 455 NE ARG A 103 -11.810 11.474 60.878 1.00 70.80 N ATOM 456 CZ ARG A 103 -11.368 12.713 60.695 1.00 71.40 C ATOM 457 NH1 ARG A 103 -11.927 13.710 61.370 1.00 72.09 N ATOM 458 NH2 ARG A 103 -10.351 12.953 59.876 1.00 71.27 N ATOM 0 HA ARG A 103 -13.387 8.923 61.103 1.00 67.38 H new ATOM 0 HB2 ARG A 103 -15.939 10.064 61.173 1.00 67.93 H new ATOM 0 HB3 ARG A 103 -15.230 10.069 62.562 1.00 67.93 H new ATOM 0 HG2 ARG A 103 -14.218 11.314 60.226 1.00 68.45 H new ATOM 0 HG3 ARG A 103 -14.702 12.069 61.502 1.00 68.45 H new ATOM 0 HD2 ARG A 103 -12.830 11.689 62.583 1.00 69.47 H new ATOM 0 HD3 ARG A 103 -12.761 10.208 62.098 1.00 69.47 H new ATOM 0 HE ARG A 103 -11.439 10.842 60.428 1.00 70.80 H new ATOM 0 HH11 ARG A 103 -12.569 13.550 61.920 1.00 72.09 H new ATOM 0 HH12 ARG A 103 -11.647 14.515 61.258 1.00 72.09 H new ATOM 0 HH21 ARG A 103 -9.973 12.303 59.459 1.00 71.27 H new ATOM 0 HH22 ARG A 103 -10.071 13.758 59.763 1.00 71.27 H new ATOM 459 N PRO A 104 -14.981 6.605 62.261 1.00 66.22 N ATOM 460 CA PRO A 104 -15.015 5.582 63.315 1.00 65.94 C ATOM 461 C PRO A 104 -13.668 4.911 63.659 1.00 65.27 C ATOM 462 O PRO A 104 -13.503 4.358 64.754 1.00 65.35 O ATOM 463 CB PRO A 104 -16.015 4.547 62.766 1.00 66.17 C ATOM 464 CG PRO A 104 -16.036 4.807 61.273 1.00 66.01 C ATOM 465 CD PRO A 104 -16.006 6.299 61.238 1.00 66.07 C ATOM 0 HA PRO A 104 -15.260 5.990 64.160 1.00 65.94 H new ATOM 0 HB2 PRO A 104 -15.732 3.641 62.964 1.00 66.17 H new ATOM 0 HB3 PRO A 104 -16.895 4.661 63.158 1.00 66.17 H new ATOM 0 HG2 PRO A 104 -15.272 4.415 60.822 1.00 66.01 H new ATOM 0 HG3 PRO A 104 -16.831 4.447 60.850 1.00 66.01 H new ATOM 0 HD2 PRO A 104 -15.759 6.638 60.363 1.00 66.07 H new ATOM 0 HD3 PRO A 104 -16.868 6.686 61.459 1.00 66.07 H new ATOM 466 N TYR A 105 -12.718 4.965 62.726 1.00 64.13 N ATOM 467 CA TYR A 105 -11.407 4.333 62.901 1.00 62.95 C ATOM 468 C TYR A 105 -10.327 5.187 63.574 1.00 62.41 C ATOM 469 O TYR A 105 -9.636 5.973 62.919 1.00 62.36 O ATOM 470 CB TYR A 105 -10.901 3.810 61.550 1.00 62.09 C ATOM 471 CG TYR A 105 -11.928 2.974 60.823 1.00 61.10 C ATOM 472 CD1 TYR A 105 -12.200 1.669 61.227 1.00 60.60 C ATOM 473 CD2 TYR A 105 -12.649 3.497 59.749 1.00 60.36 C ATOM 474 CE1 TYR A 105 -13.169 0.901 60.580 1.00 60.38 C ATOM 475 CE2 TYR A 105 -13.619 2.737 59.093 1.00 60.21 C ATOM 476 CZ TYR A 105 -13.873 1.439 59.514 1.00 59.94 C ATOM 477 OH TYR A 105 -14.824 0.678 58.871 1.00 59.23 O ATOM 0 H TYR A 105 -12.814 5.369 61.973 1.00 64.13 H new ATOM 0 HA TYR A 105 -11.564 3.609 63.528 1.00 62.95 H new ATOM 0 HB2 TYR A 105 -10.648 4.562 60.991 1.00 62.09 H new ATOM 0 HB3 TYR A 105 -10.101 3.280 61.692 1.00 62.09 H new ATOM 0 HD1 TYR A 105 -11.728 1.303 61.940 1.00 60.60 H new ATOM 0 HD2 TYR A 105 -12.481 4.367 59.465 1.00 60.36 H new ATOM 0 HE1 TYR A 105 -13.342 0.032 60.863 1.00 60.38 H new ATOM 0 HE2 TYR A 105 -14.092 3.098 58.378 1.00 60.21 H new ATOM 0 HH TYR A 105 -15.169 1.127 58.250 1.00 59.23 H new ATOM 478 N ALA A 106 -10.186 5.016 64.887 1.00 61.42 N ATOM 479 CA ALA A 106 -9.182 5.744 65.652 1.00 60.01 C ATOM 480 C ALA A 106 -7.906 4.919 65.705 1.00 58.84 C ATOM 481 O ALA A 106 -7.942 3.682 65.654 1.00 58.21 O ATOM 482 CB ALA A 106 -9.681 6.025 67.068 1.00 60.26 C ATOM 0 H ALA A 106 -10.667 4.478 65.355 1.00 61.42 H new ATOM 0 HA ALA A 106 -9.007 6.594 65.219 1.00 60.01 H new ATOM 0 HB1 ALA A 106 -9.000 6.509 67.561 1.00 60.26 H new ATOM 0 HB2 ALA A 106 -10.490 6.558 67.026 1.00 60.26 H new ATOM 0 HB3 ALA A 106 -9.870 5.186 67.517 1.00 60.26 H new ATOM 483 N CYS A 107 -6.779 5.614 65.776 1.00 57.25 N ATOM 484 CA CYS A 107 -5.493 4.954 65.857 1.00 56.14 C ATOM 485 C CYS A 107 -5.344 4.403 67.278 1.00 56.55 C ATOM 486 O CYS A 107 -5.454 5.152 68.257 1.00 56.86 O ATOM 487 CB CYS A 107 -4.379 5.947 65.554 1.00 54.85 C ATOM 488 SG CYS A 107 -2.764 5.189 65.528 1.00 50.74 S ATOM 0 H CYS A 107 -6.741 6.473 65.778 1.00 57.25 H new ATOM 0 HA CYS A 107 -5.436 4.234 65.209 1.00 56.14 H new ATOM 0 HB2 CYS A 107 -4.549 6.365 64.695 1.00 54.85 H new ATOM 0 HB3 CYS A 107 -4.390 6.652 66.220 1.00 54.85 H new ATOM 489 N PRO A 108 -5.103 3.082 67.405 1.00 56.46 N ATOM 490 CA PRO A 108 -4.939 2.375 68.681 1.00 56.36 C ATOM 491 C PRO A 108 -3.722 2.779 69.510 1.00 56.74 C ATOM 492 O PRO A 108 -3.747 2.665 70.737 1.00 56.47 O ATOM 493 CB PRO A 108 -4.873 0.907 68.256 1.00 56.02 C ATOM 494 CG PRO A 108 -5.596 0.883 66.944 1.00 56.17 C ATOM 495 CD PRO A 108 -5.062 2.124 66.289 1.00 56.31 C ATOM 0 HA PRO A 108 -5.667 2.588 69.285 1.00 56.36 H new ATOM 0 HB2 PRO A 108 -3.956 0.604 68.163 1.00 56.02 H new ATOM 0 HB3 PRO A 108 -5.298 0.328 68.908 1.00 56.02 H new ATOM 0 HG2 PRO A 108 -5.396 0.084 66.431 1.00 56.17 H new ATOM 0 HG3 PRO A 108 -6.559 0.915 67.057 1.00 56.17 H new ATOM 0 HD2 PRO A 108 -4.163 1.999 65.947 1.00 56.31 H new ATOM 0 HD3 PRO A 108 -5.612 2.409 65.542 1.00 56.31 H new ATOM 496 N VAL A 109 -2.645 3.211 68.857 1.00 57.20 N ATOM 497 CA VAL A 109 -1.449 3.655 69.579 1.00 58.33 C ATOM 498 C VAL A 109 -1.982 4.619 70.631 1.00 59.49 C ATOM 499 O VAL A 109 -2.777 5.506 70.298 1.00 59.24 O ATOM 500 CB VAL A 109 -0.485 4.443 68.648 1.00 57.84 C ATOM 501 CG1 VAL A 109 0.538 5.231 69.466 1.00 57.23 C ATOM 502 CG2 VAL A 109 0.223 3.500 67.692 1.00 57.32 C ATOM 0 H VAL A 109 -2.584 3.256 68.000 1.00 57.20 H new ATOM 0 HA VAL A 109 -0.957 2.901 69.940 1.00 58.33 H new ATOM 0 HB VAL A 109 -1.014 5.071 68.131 1.00 57.84 H new ATOM 0 HG11 VAL A 109 1.128 5.714 68.867 1.00 57.23 H new ATOM 0 HG12 VAL A 109 0.076 5.860 70.042 1.00 57.23 H new ATOM 0 HG13 VAL A 109 1.059 4.619 70.009 1.00 57.23 H new ATOM 0 HG21 VAL A 109 0.820 4.007 67.119 1.00 57.32 H new ATOM 0 HG22 VAL A 109 0.736 2.851 68.198 1.00 57.32 H new ATOM 0 HG23 VAL A 109 -0.433 3.039 67.147 1.00 57.32 H new ATOM 503 N GLU A 110 -1.607 4.435 71.896 1.00 61.30 N ATOM 504 CA GLU A 110 -2.151 5.361 72.879 1.00 63.19 C ATOM 505 C GLU A 110 -1.739 6.816 72.701 1.00 63.43 C ATOM 506 O GLU A 110 -2.610 7.663 72.484 1.00 63.42 O ATOM 507 CB GLU A 110 -2.111 4.845 74.338 1.00 64.31 C ATOM 508 CG GLU A 110 -0.787 4.622 75.085 1.00 66.64 C ATOM 509 CD GLU A 110 -1.049 4.282 76.576 1.00 68.37 C ATOM 510 OE1 GLU A 110 -2.042 4.801 77.132 1.00 69.22 O ATOM 511 OE2 GLU A 110 -0.296 3.491 77.193 1.00 68.97 O ATOM 0 H GLU A 110 -1.077 3.825 72.189 1.00 61.30 H new ATOM 0 HA GLU A 110 -3.097 5.380 72.667 1.00 63.19 H new ATOM 0 HB2 GLU A 110 -2.631 5.468 74.870 1.00 64.31 H new ATOM 0 HB3 GLU A 110 -2.585 3.999 74.349 1.00 64.31 H new ATOM 0 HG2 GLU A 110 -0.292 3.901 74.666 1.00 66.64 H new ATOM 0 HG3 GLU A 110 -0.237 5.418 75.022 1.00 66.64 H new ATOM 512 N SER A 111 -0.439 7.103 72.660 1.00 63.75 N ATOM 513 CA SER A 111 0.026 8.480 72.472 1.00 64.07 C ATOM 514 C SER A 111 -0.550 9.187 71.232 1.00 64.29 C ATOM 515 O SER A 111 -0.508 10.416 71.141 1.00 64.09 O ATOM 516 CB SER A 111 1.560 8.534 72.468 1.00 64.21 C ATOM 517 OG SER A 111 2.122 7.505 71.669 1.00 65.31 O ATOM 0 H SER A 111 0.188 6.520 72.738 1.00 63.75 H new ATOM 0 HA SER A 111 -0.318 8.977 73.231 1.00 64.07 H new ATOM 0 HB2 SER A 111 1.852 9.397 72.136 1.00 64.21 H new ATOM 0 HB3 SER A 111 1.889 8.454 73.377 1.00 64.21 H new ATOM 0 HG SER A 111 2.960 7.563 71.686 1.00 65.31 H new ATOM 518 N CYS A 112 -1.097 8.412 70.291 1.00 64.72 N ATOM 519 CA CYS A 112 -1.689 8.979 69.074 1.00 64.90 C ATOM 520 C CYS A 112 -3.218 8.994 69.061 1.00 65.24 C ATOM 521 O CYS A 112 -3.864 7.963 69.260 1.00 65.09 O ATOM 522 CB CYS A 112 -1.189 8.255 67.826 1.00 64.73 C ATOM 523 SG CYS A 112 -2.028 8.804 66.316 1.00 63.57 S ATOM 0 H CYS A 112 -1.135 7.554 70.338 1.00 64.72 H new ATOM 0 HA CYS A 112 -1.397 9.904 69.070 1.00 64.90 H new ATOM 0 HB2 CYS A 112 -0.235 8.401 67.733 1.00 64.73 H new ATOM 0 HB3 CYS A 112 -1.321 7.300 67.936 1.00 64.73 H new ATOM 524 N ASP A 113 -3.780 10.153 68.722 1.00 65.95 N ATOM 525 CA ASP A 113 -5.231 10.343 68.691 1.00 66.73 C ATOM 526 C ASP A 113 -5.859 10.586 67.307 1.00 66.69 C ATOM 527 O ASP A 113 -7.057 10.869 67.209 1.00 66.63 O ATOM 528 CB ASP A 113 -5.617 11.497 69.629 1.00 67.32 C ATOM 529 CG ASP A 113 -5.091 11.307 71.044 1.00 67.92 C ATOM 530 OD1 ASP A 113 -5.517 10.346 71.727 1.00 67.88 O ATOM 531 OD2 ASP A 113 -4.247 12.126 71.474 1.00 68.61 O ATOM 0 H ASP A 113 -3.331 10.853 68.503 1.00 65.95 H new ATOM 0 HA ASP A 113 -5.594 9.492 68.983 1.00 66.73 H new ATOM 0 HB2 ASP A 113 -5.273 12.330 69.269 1.00 67.32 H new ATOM 0 HB3 ASP A 113 -6.583 11.577 69.656 1.00 67.32 H new ATOM 532 N ARG A 114 -5.060 10.490 66.247 1.00 66.59 N ATOM 533 CA ARG A 114 -5.564 10.703 64.891 1.00 66.33 C ATOM 534 C ARG A 114 -6.651 9.711 64.512 1.00 65.83 C ATOM 535 O ARG A 114 -6.550 8.516 64.801 1.00 65.26 O ATOM 536 CB ARG A 114 -4.425 10.647 63.878 1.00 66.75 C ATOM 537 CG ARG A 114 -3.631 11.929 63.796 1.00 67.67 C ATOM 538 CD ARG A 114 -2.436 11.753 62.894 1.00 69.23 C ATOM 539 NE ARG A 114 -2.264 12.895 62.003 1.00 70.87 N ATOM 540 CZ ARG A 114 -3.046 13.153 60.956 1.00 71.59 C ATOM 541 NH1 ARG A 114 -4.064 12.352 60.662 1.00 71.66 N ATOM 542 NH2 ARG A 114 -2.797 14.207 60.189 1.00 72.27 N ATOM 0 H ARG A 114 -4.222 10.302 66.291 1.00 66.59 H new ATOM 0 HA ARG A 114 -5.962 11.587 64.876 1.00 66.33 H new ATOM 0 HB2 ARG A 114 -3.828 9.919 64.113 1.00 66.75 H new ATOM 0 HB3 ARG A 114 -4.790 10.444 63.002 1.00 66.75 H new ATOM 0 HG2 ARG A 114 -4.194 12.644 63.460 1.00 67.67 H new ATOM 0 HG3 ARG A 114 -3.338 12.192 64.683 1.00 67.67 H new ATOM 0 HD2 ARG A 114 -1.637 11.638 63.432 1.00 69.23 H new ATOM 0 HD3 ARG A 114 -2.542 10.945 62.369 1.00 69.23 H new ATOM 0 HE ARG A 114 -1.616 13.437 62.164 1.00 70.87 H new ATOM 0 HH11 ARG A 114 -4.222 11.661 61.149 1.00 71.66 H new ATOM 0 HH12 ARG A 114 -4.565 12.524 59.985 1.00 71.66 H new ATOM 0 HH21 ARG A 114 -2.132 14.722 60.368 1.00 72.27 H new ATOM 0 HH22 ARG A 114 -3.301 14.375 59.513 1.00 72.27 H new ATOM 543 N ARG A 115 -7.693 10.222 63.864 1.00 65.46 N ATOM 544 CA ARG A 115 -8.823 9.401 63.454 1.00 65.59 C ATOM 545 C ARG A 115 -8.920 9.308 61.941 1.00 65.29 C ATOM 546 O ARG A 115 -8.506 10.226 61.229 1.00 65.16 O ATOM 547 CB ARG A 115 -10.112 9.983 64.012 1.00 66.30 C ATOM 548 CG ARG A 115 -9.996 10.442 65.447 1.00 67.52 C ATOM 549 CD ARG A 115 -11.359 10.753 66.011 1.00 68.71 C ATOM 550 NE ARG A 115 -12.215 9.566 66.013 1.00 69.94 N ATOM 551 CZ ARG A 115 -12.145 8.590 66.915 1.00 70.49 C ATOM 552 NH1 ARG A 115 -11.253 8.652 67.899 1.00 70.90 N ATOM 553 NH2 ARG A 115 -12.970 7.553 66.839 1.00 70.34 N ATOM 0 H ARG A 115 -7.763 11.052 63.651 1.00 65.46 H new ATOM 0 HA ARG A 115 -8.686 8.507 63.805 1.00 65.59 H new ATOM 0 HB2 ARG A 115 -10.384 10.733 63.461 1.00 66.30 H new ATOM 0 HB3 ARG A 115 -10.813 9.316 63.949 1.00 66.30 H new ATOM 0 HG2 ARG A 115 -9.569 9.753 65.980 1.00 67.52 H new ATOM 0 HG3 ARG A 115 -9.432 11.229 65.496 1.00 67.52 H new ATOM 0 HD2 ARG A 115 -11.268 11.091 66.916 1.00 68.71 H new ATOM 0 HD3 ARG A 115 -11.776 11.455 65.487 1.00 68.71 H new ATOM 0 HE ARG A 115 -12.803 9.494 65.389 1.00 69.94 H new ATOM 0 HH11 ARG A 115 -10.719 9.324 67.954 1.00 70.90 H new ATOM 0 HH12 ARG A 115 -11.210 8.020 68.481 1.00 70.90 H new ATOM 0 HH21 ARG A 115 -13.551 7.511 66.206 1.00 70.34 H new ATOM 0 HH22 ARG A 115 -12.924 6.923 67.423 1.00 70.34 H new ATOM 554 N PHE A 116 -9.505 8.214 61.458 1.00 65.08 N ATOM 555 CA PHE A 116 -9.650 7.974 60.024 1.00 65.20 C ATOM 556 C PHE A 116 -11.027 7.463 59.610 1.00 65.09 C ATOM 557 O PHE A 116 -11.626 6.633 60.292 1.00 65.33 O ATOM 558 CB PHE A 116 -8.559 7.003 59.549 1.00 65.80 C ATOM 559 CG PHE A 116 -7.171 7.560 59.687 1.00 66.31 C ATOM 560 CD1 PHE A 116 -6.461 7.410 60.876 1.00 66.36 C ATOM 561 CD2 PHE A 116 -6.604 8.311 58.659 1.00 66.51 C ATOM 562 CE1 PHE A 116 -5.214 8.017 61.046 1.00 66.28 C ATOM 563 CE2 PHE A 116 -5.355 8.921 58.821 1.00 66.38 C ATOM 564 CZ PHE A 116 -4.661 8.772 60.015 1.00 65.89 C ATOM 0 H PHE A 116 -9.829 7.590 61.953 1.00 65.08 H new ATOM 0 HA PHE A 116 -9.550 8.837 59.593 1.00 65.20 H new ATOM 0 HB2 PHE A 116 -8.623 6.180 60.058 1.00 65.80 H new ATOM 0 HB3 PHE A 116 -8.719 6.775 58.620 1.00 65.80 H new ATOM 0 HD1 PHE A 116 -6.821 6.900 61.565 1.00 66.36 H new ATOM 0 HD2 PHE A 116 -7.061 8.408 57.855 1.00 66.51 H new ATOM 0 HE1 PHE A 116 -4.753 7.917 61.848 1.00 66.28 H new ATOM 0 HE2 PHE A 116 -4.990 9.425 58.130 1.00 66.38 H new ATOM 0 HZ PHE A 116 -3.830 9.175 60.125 1.00 65.89 H new ATOM 565 N SER A 117 -11.517 7.955 58.475 1.00 64.88 N ATOM 566 CA SER A 117 -12.823 7.553 57.955 1.00 64.39 C ATOM 567 C SER A 117 -12.809 6.203 57.250 1.00 63.89 C ATOM 568 O SER A 117 -13.837 5.530 57.149 1.00 63.80 O ATOM 569 CB SER A 117 -13.374 8.630 57.018 1.00 64.59 C ATOM 570 OG SER A 117 -13.808 9.762 57.757 1.00 65.04 O ATOM 0 H SER A 117 -11.104 8.529 57.986 1.00 64.88 H new ATOM 0 HA SER A 117 -13.404 7.454 58.726 1.00 64.39 H new ATOM 0 HB2 SER A 117 -12.690 8.895 56.384 1.00 64.59 H new ATOM 0 HB3 SER A 117 -14.114 8.270 56.504 1.00 64.59 H new ATOM 0 HG SER A 117 -14.172 9.508 58.470 1.00 65.04 H new ATOM 571 N ARG A 118 -11.629 5.808 56.785 1.00 63.29 N ATOM 572 CA ARG A 118 -11.451 4.549 56.075 1.00 62.56 C ATOM 573 C ARG A 118 -10.495 3.639 56.847 1.00 61.28 C ATOM 574 O ARG A 118 -9.371 4.040 57.168 1.00 61.21 O ATOM 575 CB ARG A 118 -10.886 4.837 54.683 1.00 63.91 C ATOM 576 CG ARG A 118 -11.697 5.850 53.863 1.00 65.39 C ATOM 577 CD ARG A 118 -10.979 6.190 52.566 1.00 66.42 C ATOM 578 NE ARG A 118 -10.384 4.988 51.993 1.00 68.31 N ATOM 579 CZ ARG A 118 -10.717 4.451 50.823 1.00 69.38 C ATOM 580 NH1 ARG A 118 -11.650 5.012 50.059 1.00 69.77 N ATOM 581 NH2 ARG A 118 -10.157 3.306 50.448 1.00 69.45 N ATOM 0 H ARG A 118 -10.906 6.266 56.873 1.00 63.29 H new ATOM 0 HA ARG A 118 -12.307 4.100 55.994 1.00 62.56 H new ATOM 0 HB2 ARG A 118 -9.979 5.167 54.777 1.00 63.91 H new ATOM 0 HB3 ARG A 118 -10.836 4.004 54.188 1.00 63.91 H new ATOM 0 HG2 ARG A 118 -12.574 5.486 53.666 1.00 65.39 H new ATOM 0 HG3 ARG A 118 -11.835 6.657 54.383 1.00 65.39 H new ATOM 0 HD2 ARG A 118 -11.603 6.583 51.936 1.00 66.42 H new ATOM 0 HD3 ARG A 118 -10.290 6.852 52.733 1.00 66.42 H new ATOM 0 HE ARG A 118 -9.769 4.595 52.448 1.00 68.31 H new ATOM 0 HH11 ARG A 118 -12.045 5.730 50.320 1.00 69.77 H new ATOM 0 HH12 ARG A 118 -11.858 4.657 49.304 1.00 69.77 H new ATOM 0 HH21 ARG A 118 -9.585 2.919 50.960 1.00 69.45 H new ATOM 0 HH22 ARG A 118 -10.367 2.952 49.693 1.00 69.45 H new ATOM 582 N SER A 119 -10.939 2.416 57.131 1.00 59.58 N ATOM 583 CA SER A 119 -10.129 1.446 57.872 1.00 58.27 C ATOM 584 C SER A 119 -8.766 1.215 57.231 1.00 57.46 C ATOM 585 O SER A 119 -7.764 1.016 57.918 1.00 57.12 O ATOM 586 CB SER A 119 -10.860 0.108 57.979 1.00 58.01 C ATOM 587 OG SER A 119 -10.943 -0.523 56.715 1.00 58.43 O ATOM 0 H SER A 119 -11.715 2.125 56.901 1.00 59.58 H new ATOM 0 HA SER A 119 -9.988 1.822 58.755 1.00 58.27 H new ATOM 0 HB2 SER A 119 -10.395 -0.470 58.604 1.00 58.01 H new ATOM 0 HB3 SER A 119 -11.752 0.250 58.334 1.00 58.01 H new ATOM 0 HG SER A 119 -11.346 -1.256 56.793 1.00 58.43 H new ATOM 588 N ALA A 120 -8.743 1.223 55.905 1.00 56.60 N ATOM 589 CA ALA A 120 -7.509 1.013 55.175 1.00 55.74 C ATOM 590 C ALA A 120 -6.584 2.210 55.309 1.00 55.32 C ATOM 591 O ALA A 120 -5.365 2.057 55.251 1.00 55.36 O ATOM 592 CB ALA A 120 -7.802 0.733 53.724 1.00 56.24 C ATOM 0 H ALA A 120 -9.435 1.349 55.410 1.00 56.60 H new ATOM 0 HA ALA A 120 -7.059 0.243 55.557 1.00 55.74 H new ATOM 0 HB1 ALA A 120 -6.969 0.594 53.246 1.00 56.24 H new ATOM 0 HB2 ALA A 120 -8.352 -0.063 53.652 1.00 56.24 H new ATOM 0 HB3 ALA A 120 -8.274 1.487 53.338 1.00 56.24 H new ATOM 593 N ASP A 121 -7.148 3.405 55.474 1.00 54.78 N ATOM 594 CA ASP A 121 -6.308 4.586 55.635 1.00 54.81 C ATOM 595 C ASP A 121 -5.607 4.548 56.994 1.00 54.07 C ATOM 596 O ASP A 121 -4.603 5.228 57.208 1.00 54.46 O ATOM 597 CB ASP A 121 -7.099 5.883 55.425 1.00 55.82 C ATOM 598 CG ASP A 121 -7.009 6.405 53.980 1.00 56.91 C ATOM 599 OD1 ASP A 121 -6.365 5.753 53.120 1.00 57.08 O ATOM 600 OD2 ASP A 121 -7.578 7.484 53.707 1.00 57.81 O ATOM 0 H ASP A 121 -7.995 3.551 55.495 1.00 54.78 H new ATOM 0 HA ASP A 121 -5.626 4.574 54.945 1.00 54.81 H new ATOM 0 HB2 ASP A 121 -8.030 5.731 55.653 1.00 55.82 H new ATOM 0 HB3 ASP A 121 -6.766 6.563 56.032 1.00 55.82 H new ATOM 601 N LEU A 122 -6.119 3.705 57.888 1.00 52.81 N ATOM 602 CA LEU A 122 -5.527 3.524 59.205 1.00 51.19 C ATOM 603 C LEU A 122 -4.365 2.546 59.052 1.00 50.04 C ATOM 604 O LEU A 122 -3.309 2.751 59.631 1.00 50.32 O ATOM 605 CB LEU A 122 -6.562 2.979 60.202 1.00 51.15 C ATOM 606 CG LEU A 122 -6.122 2.754 61.658 1.00 51.06 C ATOM 607 CD1 LEU A 122 -5.596 4.044 62.274 1.00 51.27 C ATOM 608 CD2 LEU A 122 -7.281 2.221 62.479 1.00 50.61 C ATOM 0 H LEU A 122 -6.818 3.224 57.746 1.00 52.81 H new ATOM 0 HA LEU A 122 -5.216 4.374 59.553 1.00 51.19 H new ATOM 0 HB2 LEU A 122 -7.315 3.591 60.211 1.00 51.15 H new ATOM 0 HB3 LEU A 122 -6.888 2.133 59.857 1.00 51.15 H new ATOM 0 HG LEU A 122 -5.405 2.101 61.659 1.00 51.06 H new ATOM 0 HD11 LEU A 122 -5.325 3.878 63.190 1.00 51.27 H new ATOM 0 HD12 LEU A 122 -4.834 4.359 61.764 1.00 51.27 H new ATOM 0 HD13 LEU A 122 -6.294 4.717 62.261 1.00 51.27 H new ATOM 0 HD21 LEU A 122 -6.993 2.083 63.395 1.00 50.61 H new ATOM 0 HD22 LEU A 122 -8.010 2.860 62.463 1.00 50.61 H new ATOM 0 HD23 LEU A 122 -7.582 1.378 62.105 1.00 50.61 H new ATOM 609 N THR A 123 -4.563 1.499 58.252 1.00 48.95 N ATOM 610 CA THR A 123 -3.532 0.487 58.001 1.00 48.22 C ATOM 611 C THR A 123 -2.249 1.109 57.459 1.00 47.57 C ATOM 612 O THR A 123 -1.145 0.702 57.826 1.00 47.71 O ATOM 613 CB THR A 123 -4.019 -0.569 56.986 1.00 48.97 C ATOM 614 OG1 THR A 123 -5.096 -1.327 57.555 1.00 49.10 O ATOM 615 CG2 THR A 123 -2.879 -1.507 56.586 1.00 48.93 C ATOM 0 H THR A 123 -5.302 1.354 57.837 1.00 48.95 H new ATOM 0 HA THR A 123 -3.352 0.067 58.856 1.00 48.22 H new ATOM 0 HB THR A 123 -4.330 -0.110 56.190 1.00 48.97 H new ATOM 0 HG1 THR A 123 -5.360 -1.900 57.000 1.00 49.10 H new ATOM 0 HG21 THR A 123 -3.206 -2.161 55.949 1.00 48.93 H new ATOM 0 HG22 THR A 123 -2.163 -0.992 56.181 1.00 48.93 H new ATOM 0 HG23 THR A 123 -2.543 -1.963 57.374 1.00 48.93 H new ATOM 616 N ARG A 124 -2.403 2.044 56.527 1.00 46.60 N ATOM 617 CA ARG A 124 -1.263 2.742 55.943 1.00 45.52 C ATOM 618 C ARG A 124 -0.649 3.596 57.040 1.00 44.69 C ATOM 619 O ARG A 124 0.564 3.610 57.230 1.00 44.14 O ATOM 620 CB ARG A 124 -1.724 3.642 54.789 1.00 45.71 C ATOM 621 CG ARG A 124 -0.734 4.748 54.425 1.00 44.73 C ATOM 622 CD ARG A 124 -1.307 5.700 53.404 1.00 44.33 C ATOM 623 NE ARG A 124 -1.138 5.223 52.037 1.00 43.07 N ATOM 624 CZ ARG A 124 -1.816 5.697 50.998 1.00 42.94 C ATOM 625 NH1 ARG A 124 -2.717 6.656 51.177 1.00 43.14 N ATOM 626 NH2 ARG A 124 -1.568 5.241 49.776 1.00 42.29 N ATOM 0 H ARG A 124 -3.166 2.291 56.217 1.00 46.60 H new ATOM 0 HA ARG A 124 -0.620 2.106 55.592 1.00 45.52 H new ATOM 0 HB2 ARG A 124 -1.881 3.092 54.006 1.00 45.71 H new ATOM 0 HB3 ARG A 124 -2.573 4.047 55.027 1.00 45.71 H new ATOM 0 HG2 ARG A 124 -0.490 5.240 55.225 1.00 44.73 H new ATOM 0 HG3 ARG A 124 0.080 4.352 54.077 1.00 44.73 H new ATOM 0 HD2 ARG A 124 -2.251 5.831 53.583 1.00 44.33 H new ATOM 0 HD3 ARG A 124 -0.878 6.565 53.497 1.00 44.33 H new ATOM 0 HE ARG A 124 -0.565 4.597 51.895 1.00 43.07 H new ATOM 0 HH11 ARG A 124 -2.861 6.969 51.965 1.00 43.14 H new ATOM 0 HH12 ARG A 124 -3.157 6.964 50.505 1.00 43.14 H new ATOM 0 HH21 ARG A 124 -0.967 4.637 49.656 1.00 42.29 H new ATOM 0 HH22 ARG A 124 -2.008 5.549 49.104 1.00 42.29 H new ATOM 627 N HIS A 125 -1.521 4.295 57.759 1.00 44.24 N ATOM 628 CA HIS A 125 -1.133 5.172 58.856 1.00 44.14 C ATOM 629 C HIS A 125 -0.355 4.450 59.954 1.00 43.87 C ATOM 630 O HIS A 125 0.552 5.028 60.545 1.00 44.68 O ATOM 631 CB HIS A 125 -2.384 5.837 59.442 1.00 44.01 C ATOM 632 CG HIS A 125 -2.164 6.504 60.765 1.00 44.37 C ATOM 633 ND1 HIS A 125 -1.702 7.796 60.885 1.00 44.36 N ATOM 634 CD2 HIS A 125 -2.376 6.065 62.030 1.00 45.14 C ATOM 635 CE1 HIS A 125 -1.640 8.128 62.162 1.00 44.99 C ATOM 636 NE2 HIS A 125 -2.044 7.094 62.878 1.00 45.63 N ATOM 0 H HIS A 125 -2.369 4.272 57.620 1.00 44.24 H new ATOM 0 HA HIS A 125 -0.534 5.842 58.492 1.00 44.14 H new ATOM 0 HB2 HIS A 125 -2.714 6.495 58.810 1.00 44.01 H new ATOM 0 HB3 HIS A 125 -3.078 5.166 59.541 1.00 44.01 H new ATOM 0 HD1 HIS A 125 -1.487 8.308 60.229 1.00 44.36 H new ATOM 0 HD2 HIS A 125 -2.688 5.225 62.278 1.00 45.14 H new ATOM 0 HE1 HIS A 125 -1.360 8.948 62.499 1.00 44.99 H new ATOM 637 N ILE A 126 -0.701 3.191 60.213 1.00 42.75 N ATOM 638 CA ILE A 126 -0.042 2.409 61.243 1.00 41.82 C ATOM 639 C ILE A 126 1.454 2.278 60.980 1.00 41.06 C ATOM 640 O ILE A 126 2.239 2.160 61.916 1.00 41.20 O ATOM 641 CB ILE A 126 -0.674 1.007 61.363 1.00 42.41 C ATOM 642 CG1 ILE A 126 -0.524 0.508 62.788 1.00 42.60 C ATOM 643 CG2 ILE A 126 -0.012 0.000 60.410 1.00 43.10 C ATOM 644 CD1 ILE A 126 -1.525 1.103 63.714 1.00 42.41 C ATOM 0 H ILE A 126 -1.324 2.771 59.795 1.00 42.75 H new ATOM 0 HA ILE A 126 -0.164 2.884 62.080 1.00 41.82 H new ATOM 0 HB ILE A 126 -1.611 1.082 61.123 1.00 42.41 H new ATOM 0 HG12 ILE A 126 -0.613 -0.458 62.799 1.00 42.60 H new ATOM 0 HG13 ILE A 126 0.369 0.715 63.107 1.00 42.60 H new ATOM 0 HG21 ILE A 126 -0.433 -0.868 60.512 1.00 43.10 H new ATOM 0 HG22 ILE A 126 -0.116 0.304 59.495 1.00 43.10 H new ATOM 0 HG23 ILE A 126 0.932 -0.073 60.621 1.00 43.10 H new ATOM 0 HD11 ILE A 126 -1.387 0.753 64.608 1.00 42.41 H new ATOM 0 HD12 ILE A 126 -1.423 2.068 63.725 1.00 42.41 H new ATOM 0 HD13 ILE A 126 -2.419 0.877 63.413 1.00 42.41 H new ATOM 645 N ARG A 127 1.842 2.298 59.706 1.00 40.36 N ATOM 646 CA ARG A 127 3.247 2.185 59.337 1.00 39.91 C ATOM 647 C ARG A 127 4.079 3.344 59.844 1.00 38.44 C ATOM 648 O ARG A 127 5.298 3.231 59.948 1.00 38.00 O ATOM 649 CB ARG A 127 3.423 2.053 57.826 1.00 41.91 C ATOM 650 CG ARG A 127 3.140 0.670 57.302 1.00 44.47 C ATOM 651 CD ARG A 127 3.682 0.502 55.897 1.00 46.52 C ATOM 652 NE ARG A 127 3.524 -0.875 55.445 1.00 49.06 N ATOM 653 CZ ARG A 127 3.028 -1.225 54.263 1.00 50.62 C ATOM 654 NH1 ARG A 127 2.638 -0.292 53.401 1.00 51.16 N ATOM 655 NH2 ARG A 127 2.920 -2.513 53.946 1.00 51.49 N ATOM 0 H ARG A 127 1.304 2.377 59.040 1.00 40.36 H new ATOM 0 HA ARG A 127 3.567 1.376 59.766 1.00 39.91 H new ATOM 0 HB2 ARG A 127 2.835 2.685 57.384 1.00 41.91 H new ATOM 0 HB3 ARG A 127 4.331 2.299 57.591 1.00 41.91 H new ATOM 0 HG2 ARG A 127 3.541 0.010 57.888 1.00 44.47 H new ATOM 0 HG3 ARG A 127 2.184 0.508 57.305 1.00 44.47 H new ATOM 0 HD2 ARG A 127 3.217 1.101 55.292 1.00 46.52 H new ATOM 0 HD3 ARG A 127 4.620 0.749 55.875 1.00 46.52 H new ATOM 0 HE ARG A 127 3.768 -1.503 55.979 1.00 49.06 H new ATOM 0 HH11 ARG A 127 2.706 0.540 53.608 1.00 51.16 H new ATOM 0 HH12 ARG A 127 2.317 -0.520 52.636 1.00 51.16 H new ATOM 0 HH21 ARG A 127 3.171 -3.116 54.505 1.00 51.49 H new ATOM 0 HH22 ARG A 127 2.599 -2.742 53.182 1.00 51.49 H new ATOM 656 N ILE A 128 3.438 4.469 60.137 1.00 36.96 N ATOM 657 CA ILE A 128 4.193 5.598 60.652 1.00 37.23 C ATOM 658 C ILE A 128 4.669 5.238 62.064 1.00 36.72 C ATOM 659 O ILE A 128 5.800 5.548 62.443 1.00 36.83 O ATOM 660 CB ILE A 128 3.382 6.939 60.662 1.00 37.72 C ATOM 661 CG1 ILE A 128 2.407 7.000 61.841 1.00 38.26 C ATOM 662 CG2 ILE A 128 2.637 7.121 59.347 1.00 37.20 C ATOM 663 CD1 ILE A 128 1.734 8.349 62.013 1.00 39.21 C ATOM 0 H ILE A 128 2.592 4.596 60.048 1.00 36.96 H new ATOM 0 HA ILE A 128 4.944 5.760 60.060 1.00 37.23 H new ATOM 0 HB ILE A 128 4.017 7.665 60.766 1.00 37.72 H new ATOM 0 HG12 ILE A 128 1.725 6.321 61.721 1.00 38.26 H new ATOM 0 HG13 ILE A 128 2.885 6.781 62.656 1.00 38.26 H new ATOM 0 HG21 ILE A 128 2.141 7.954 59.369 1.00 37.20 H new ATOM 0 HG22 ILE A 128 3.273 7.143 58.615 1.00 37.20 H new ATOM 0 HG23 ILE A 128 2.022 6.382 59.218 1.00 37.20 H new ATOM 0 HD11 ILE A 128 1.133 8.316 62.774 1.00 39.21 H new ATOM 0 HD12 ILE A 128 2.408 9.030 62.163 1.00 39.21 H new ATOM 0 HD13 ILE A 128 1.230 8.564 61.213 1.00 39.21 H new ATOM 664 N HIS A 129 3.830 4.508 62.798 1.00 36.03 N ATOM 665 CA HIS A 129 4.148 4.093 64.161 1.00 35.76 C ATOM 666 C HIS A 129 5.038 2.856 64.221 1.00 35.32 C ATOM 667 O HIS A 129 5.847 2.722 65.141 1.00 36.05 O ATOM 668 CB HIS A 129 2.871 3.834 64.957 1.00 36.05 C ATOM 669 CG HIS A 129 1.925 4.995 64.984 1.00 37.74 C ATOM 670 ND1 HIS A 129 2.240 6.202 65.571 1.00 37.52 N ATOM 671 CD2 HIS A 129 0.665 5.126 64.507 1.00 38.49 C ATOM 672 CE1 HIS A 129 1.214 7.026 65.456 1.00 38.01 C ATOM 673 NE2 HIS A 129 0.246 6.399 64.814 1.00 38.64 N ATOM 0 H HIS A 129 3.062 4.240 62.519 1.00 36.03 H new ATOM 0 HA HIS A 129 4.644 4.828 64.554 1.00 35.76 H new ATOM 0 HB2 HIS A 129 2.415 3.066 64.579 1.00 36.05 H new ATOM 0 HB3 HIS A 129 3.110 3.602 65.868 1.00 36.05 H new ATOM 0 HD1 HIS A 129 2.988 6.389 65.952 1.00 37.52 H new ATOM 0 HD2 HIS A 129 0.175 4.477 64.056 1.00 38.49 H new ATOM 0 HE1 HIS A 129 1.180 7.899 65.773 1.00 38.01 H new ATOM 674 N THR A 130 4.891 1.949 63.255 1.00 34.38 N ATOM 675 CA THR A 130 5.698 0.730 63.236 1.00 33.64 C ATOM 676 C THR A 130 7.052 0.921 62.554 1.00 34.25 C ATOM 677 O THR A 130 7.954 0.093 62.700 1.00 33.86 O ATOM 678 CB THR A 130 4.955 -0.452 62.569 1.00 32.53 C ATOM 679 OG1 THR A 130 4.828 -0.221 61.163 1.00 32.05 O ATOM 680 CG2 THR A 130 3.575 -0.620 63.170 1.00 32.00 C ATOM 0 H THR A 130 4.332 2.020 62.605 1.00 34.38 H new ATOM 0 HA THR A 130 5.856 0.520 64.170 1.00 33.64 H new ATOM 0 HB THR A 130 5.470 -1.259 62.723 1.00 32.53 H new ATOM 0 HG1 THR A 130 4.447 -0.878 60.804 1.00 32.05 H new ATOM 0 HG21 THR A 130 3.124 -1.364 62.741 1.00 32.00 H new ATOM 0 HG22 THR A 130 3.655 -0.795 64.121 1.00 32.00 H new ATOM 0 HG23 THR A 130 3.061 0.191 63.033 1.00 32.00 H new ATOM 681 N GLY A 131 7.183 2.017 61.811 1.00 35.07 N ATOM 682 CA GLY A 131 8.416 2.312 61.102 1.00 35.56 C ATOM 683 C GLY A 131 8.729 1.351 59.965 1.00 36.06 C ATOM 684 O GLY A 131 9.868 1.293 59.498 1.00 36.59 O ATOM 0 H GLY A 131 6.563 2.604 61.706 1.00 35.07 H new ATOM 0 HA2 GLY A 131 8.364 3.213 60.745 1.00 35.56 H new ATOM 0 HA3 GLY A 131 9.151 2.299 61.734 1.00 35.56 H new ATOM 685 N GLN A 132 7.730 0.595 59.519 1.00 36.17 N ATOM 686 CA GLN A 132 7.928 -0.363 58.441 1.00 36.32 C ATOM 687 C GLN A 132 8.146 0.320 57.088 1.00 35.45 C ATOM 688 O GLN A 132 7.359 1.172 56.668 1.00 35.32 O ATOM 689 CB GLN A 132 6.745 -1.333 58.354 1.00 38.62 C ATOM 690 CG GLN A 132 6.935 -2.441 57.301 1.00 42.53 C ATOM 691 CD GLN A 132 5.680 -3.290 57.047 1.00 44.47 C ATOM 692 OE1 GLN A 132 4.545 -2.861 57.305 1.00 45.63 O ATOM 693 NE2 GLN A 132 5.886 -4.496 56.517 1.00 44.56 N ATOM 0 H GLN A 132 6.928 0.623 59.829 1.00 36.17 H new ATOM 0 HA GLN A 132 8.734 -0.859 58.651 1.00 36.32 H new ATOM 0 HB2 GLN A 132 6.607 -1.742 59.223 1.00 38.62 H new ATOM 0 HB3 GLN A 132 5.941 -0.833 58.145 1.00 38.62 H new ATOM 0 HG2 GLN A 132 7.213 -2.035 56.465 1.00 42.53 H new ATOM 0 HG3 GLN A 132 7.656 -3.024 57.586 1.00 42.53 H new ATOM 0 HE21 GLN A 132 6.687 -4.762 56.351 1.00 44.56 H new ATOM 0 HE22 GLN A 132 5.218 -5.008 56.341 1.00 44.56 H new ATOM 694 N LYS A 133 9.232 -0.069 56.422 1.00 34.07 N ATOM 695 CA LYS A 133 9.611 0.447 55.105 1.00 31.81 C ATOM 696 C LYS A 133 9.937 -0.777 54.243 1.00 30.77 C ATOM 697 O LYS A 133 11.098 -1.059 53.966 1.00 30.51 O ATOM 698 CB LYS A 133 10.833 1.356 55.239 1.00 31.30 C ATOM 699 CG LYS A 133 10.563 2.630 56.012 1.00 31.47 C ATOM 700 CD LYS A 133 11.765 3.550 55.977 1.00 33.47 C ATOM 701 CE LYS A 133 11.411 4.930 56.510 1.00 34.81 C ATOM 702 NZ LYS A 133 10.959 4.881 57.941 1.00 37.56 N ATOM 0 H LYS A 133 9.782 -0.654 56.730 1.00 34.07 H new ATOM 0 HA LYS A 133 8.900 0.972 54.705 1.00 31.81 H new ATOM 0 HB2 LYS A 133 11.545 0.865 55.679 1.00 31.30 H new ATOM 0 HB3 LYS A 133 11.153 1.587 54.353 1.00 31.30 H new ATOM 0 HG2 LYS A 133 9.793 3.084 55.635 1.00 31.47 H new ATOM 0 HG3 LYS A 133 10.343 2.414 56.932 1.00 31.47 H new ATOM 0 HD2 LYS A 133 12.483 3.170 56.506 1.00 33.47 H new ATOM 0 HD3 LYS A 133 12.093 3.625 55.067 1.00 33.47 H new ATOM 0 HE2 LYS A 133 12.183 5.513 56.435 1.00 34.81 H new ATOM 0 HE3 LYS A 133 10.710 5.317 55.963 1.00 34.81 H new ATOM 0 HZ1 LYS A 133 10.872 5.710 58.254 1.00 37.56 H new ATOM 0 HZ2 LYS A 133 10.175 4.462 57.991 1.00 37.56 H new ATOM 0 HZ3 LYS A 133 11.561 4.442 58.428 1.00 37.56 H new ATOM 703 N PRO A 134 8.899 -1.496 53.775 1.00 30.64 N ATOM 704 CA PRO A 134 8.983 -2.712 52.951 1.00 29.93 C ATOM 705 C PRO A 134 9.281 -2.589 51.456 1.00 29.16 C ATOM 706 O PRO A 134 9.120 -3.560 50.716 1.00 29.89 O ATOM 707 CB PRO A 134 7.617 -3.342 53.172 1.00 30.37 C ATOM 708 CG PRO A 134 6.726 -2.132 53.163 1.00 30.49 C ATOM 709 CD PRO A 134 7.487 -1.117 53.996 1.00 29.82 C ATOM 0 HA PRO A 134 9.763 -3.217 53.230 1.00 29.93 H new ATOM 0 HB2 PRO A 134 7.387 -3.970 52.470 1.00 30.37 H new ATOM 0 HB3 PRO A 134 7.569 -3.825 54.012 1.00 30.37 H new ATOM 0 HG2 PRO A 134 6.573 -1.809 52.261 1.00 30.49 H new ATOM 0 HG3 PRO A 134 5.857 -2.327 53.546 1.00 30.49 H new ATOM 0 HD2 PRO A 134 7.309 -0.209 53.706 1.00 29.82 H new ATOM 0 HD3 PRO A 134 7.244 -1.168 54.934 1.00 29.82 H new ATOM 710 N PHE A 135 9.680 -1.410 50.999 1.00 27.90 N ATOM 711 CA PHE A 135 9.972 -1.229 49.581 1.00 26.83 C ATOM 712 C PHE A 135 11.364 -0.665 49.443 1.00 26.43 C ATOM 713 O PHE A 135 11.639 0.454 49.865 1.00 27.10 O ATOM 714 CB PHE A 135 8.929 -0.314 48.920 1.00 26.65 C ATOM 715 CG PHE A 135 7.513 -0.797 49.097 1.00 25.76 C ATOM 716 CD1 PHE A 135 7.018 -1.841 48.325 1.00 25.84 C ATOM 717 CD2 PHE A 135 6.703 -0.258 50.087 1.00 25.08 C ATOM 718 CE1 PHE A 135 5.737 -2.347 48.543 1.00 25.96 C ATOM 719 CE2 PHE A 135 5.427 -0.755 50.312 1.00 24.90 C ATOM 720 CZ PHE A 135 4.942 -1.803 49.539 1.00 25.27 C ATOM 0 H PHE A 135 9.788 -0.709 51.485 1.00 27.90 H new ATOM 0 HA PHE A 135 9.927 -2.084 49.125 1.00 26.83 H new ATOM 0 HB2 PHE A 135 9.008 0.578 49.293 1.00 26.65 H new ATOM 0 HB3 PHE A 135 9.124 -0.244 47.972 1.00 26.65 H new ATOM 0 HD1 PHE A 135 7.548 -2.207 47.654 1.00 25.84 H new ATOM 0 HD2 PHE A 135 7.020 0.445 50.606 1.00 25.08 H new ATOM 0 HE1 PHE A 135 5.417 -3.047 48.021 1.00 25.96 H new ATOM 0 HE2 PHE A 135 4.896 -0.386 50.981 1.00 24.90 H new ATOM 0 HZ PHE A 135 4.088 -2.138 49.690 1.00 25.27 H new ATOM 721 N GLN A 136 12.246 -1.447 48.838 1.00 26.02 N ATOM 722 CA GLN A 136 13.627 -1.030 48.687 1.00 25.77 C ATOM 723 C GLN A 136 14.059 -0.679 47.262 1.00 25.44 C ATOM 724 O GLN A 136 13.690 -1.343 46.288 1.00 24.79 O ATOM 725 CB GLN A 136 14.528 -2.113 49.270 1.00 26.80 C ATOM 726 CG GLN A 136 15.943 -1.689 49.593 1.00 26.42 C ATOM 727 CD GLN A 136 16.758 -2.860 50.072 1.00 26.60 C ATOM 728 OE1 GLN A 136 16.681 -3.950 49.502 1.00 26.52 O ATOM 729 NE2 GLN A 136 17.524 -2.658 51.135 1.00 26.72 N ATOM 0 H GLN A 136 12.064 -2.221 48.509 1.00 26.02 H new ATOM 0 HA GLN A 136 13.713 -0.194 49.171 1.00 25.77 H new ATOM 0 HB2 GLN A 136 14.116 -2.450 50.081 1.00 26.80 H new ATOM 0 HB3 GLN A 136 14.565 -2.852 48.642 1.00 26.80 H new ATOM 0 HG2 GLN A 136 16.357 -1.303 48.805 1.00 26.42 H new ATOM 0 HG3 GLN A 136 15.930 -0.999 50.274 1.00 26.42 H new ATOM 0 HE21 GLN A 136 17.550 -1.882 51.505 1.00 26.72 H new ATOM 0 HE22 GLN A 136 17.994 -3.303 51.455 1.00 26.72 H new ATOM 730 N CYS A 137 14.813 0.409 47.164 1.00 25.30 N ATOM 731 CA CYS A 137 15.350 0.887 45.904 1.00 25.23 C ATOM 732 C CYS A 137 16.571 0.025 45.613 1.00 26.79 C ATOM 733 O CYS A 137 17.529 0.015 46.385 1.00 26.75 O ATOM 734 CB CYS A 137 15.771 2.344 46.060 1.00 23.82 C ATOM 735 SG CYS A 137 16.687 3.019 44.688 1.00 22.36 S ATOM 0 H CYS A 137 15.029 0.896 47.839 1.00 25.30 H new ATOM 0 HA CYS A 137 14.699 0.832 45.187 1.00 25.23 H new ATOM 0 HB2 CYS A 137 14.976 2.883 46.196 1.00 23.82 H new ATOM 0 HB3 CYS A 137 16.310 2.426 46.862 1.00 23.82 H new ATOM 736 N ARG A 138 16.524 -0.731 44.524 1.00 27.59 N ATOM 737 CA ARG A 138 17.644 -1.585 44.184 1.00 28.84 C ATOM 738 C ARG A 138 18.877 -0.796 43.784 1.00 28.87 C ATOM 739 O ARG A 138 19.979 -1.334 43.777 1.00 29.82 O ATOM 740 CB ARG A 138 17.259 -2.583 43.091 1.00 30.28 C ATOM 741 CG ARG A 138 16.325 -2.045 42.023 1.00 32.25 C ATOM 742 CD ARG A 138 16.234 -3.006 40.836 1.00 33.76 C ATOM 743 NE ARG A 138 15.518 -4.245 41.134 1.00 35.14 N ATOM 744 CZ ARG A 138 15.750 -5.404 40.526 1.00 35.24 C ATOM 745 NH1 ARG A 138 16.685 -5.489 39.591 1.00 34.38 N ATOM 746 NH2 ARG A 138 15.039 -6.478 40.844 1.00 36.73 N ATOM 0 H ARG A 138 15.861 -0.762 43.977 1.00 27.59 H new ATOM 0 HA ARG A 138 17.873 -2.078 44.987 1.00 28.84 H new ATOM 0 HB2 ARG A 138 18.069 -2.899 42.662 1.00 30.28 H new ATOM 0 HB3 ARG A 138 16.841 -3.352 43.508 1.00 30.28 H new ATOM 0 HG2 ARG A 138 15.442 -1.908 42.400 1.00 32.25 H new ATOM 0 HG3 ARG A 138 16.641 -1.180 41.719 1.00 32.25 H new ATOM 0 HD2 ARG A 138 15.792 -2.556 40.099 1.00 33.76 H new ATOM 0 HD3 ARG A 138 17.131 -3.224 40.538 1.00 33.76 H new ATOM 0 HE ARG A 138 14.909 -4.223 41.740 1.00 35.14 H new ATOM 0 HH11 ARG A 138 17.143 -4.793 39.377 1.00 34.38 H new ATOM 0 HH12 ARG A 138 16.834 -6.240 39.199 1.00 34.38 H new ATOM 0 HH21 ARG A 138 14.426 -6.425 41.445 1.00 36.73 H new ATOM 0 HH22 ARG A 138 15.191 -7.227 40.449 1.00 36.73 H new ATOM 747 N ILE A 139 18.705 0.491 43.495 1.00 28.28 N ATOM 748 CA ILE A 139 19.839 1.312 43.098 1.00 27.92 C ATOM 749 C ILE A 139 20.677 1.763 44.298 1.00 28.66 C ATOM 750 O ILE A 139 21.891 1.549 44.333 1.00 28.66 O ATOM 751 CB ILE A 139 19.410 2.559 42.280 1.00 27.21 C ATOM 752 CG1 ILE A 139 18.312 2.204 41.270 1.00 26.71 C ATOM 753 CG2 ILE A 139 20.624 3.164 41.567 1.00 25.80 C ATOM 754 CD1 ILE A 139 18.649 1.065 40.357 1.00 27.04 C ATOM 0 H ILE A 139 17.950 0.902 43.523 1.00 28.28 H new ATOM 0 HA ILE A 139 20.383 0.741 42.532 1.00 27.92 H new ATOM 0 HB ILE A 139 19.047 3.217 42.893 1.00 27.21 H new ATOM 0 HG12 ILE A 139 17.501 1.985 41.755 1.00 26.71 H new ATOM 0 HG13 ILE A 139 18.118 2.988 40.732 1.00 26.71 H new ATOM 0 HG21 ILE A 139 20.346 3.942 41.059 1.00 25.80 H new ATOM 0 HG22 ILE A 139 21.287 3.427 42.224 1.00 25.80 H new ATOM 0 HG23 ILE A 139 21.008 2.506 40.966 1.00 25.80 H new ATOM 0 HD11 ILE A 139 17.908 0.904 39.753 1.00 27.04 H new ATOM 0 HD12 ILE A 139 19.442 1.285 39.844 1.00 27.04 H new ATOM 0 HD13 ILE A 139 18.816 0.267 40.883 1.00 27.04 H new ATOM 755 N CYS A 140 20.034 2.362 45.293 1.00 28.82 N ATOM 756 CA CYS A 140 20.769 2.844 46.460 1.00 29.15 C ATOM 757 C CYS A 140 20.433 2.114 47.755 1.00 30.00 C ATOM 758 O CYS A 140 20.932 2.474 48.816 1.00 30.16 O ATOM 759 CB CYS A 140 20.518 4.330 46.654 1.00 28.19 C ATOM 760 SG CYS A 140 18.829 4.660 47.146 1.00 25.78 S ATOM 0 H CYS A 140 19.185 2.499 45.315 1.00 28.82 H new ATOM 0 HA CYS A 140 21.704 2.666 46.272 1.00 29.15 H new ATOM 0 HB2 CYS A 140 21.124 4.675 47.328 1.00 28.19 H new ATOM 0 HB3 CYS A 140 20.713 4.801 45.829 1.00 28.19 H new ATOM 761 N MET A 141 19.562 1.117 47.666 1.00 31.04 N ATOM 762 CA MET A 141 19.145 0.311 48.811 1.00 32.02 C ATOM 763 C MET A 141 18.303 1.029 49.868 1.00 30.93 C ATOM 764 O MET A 141 17.998 0.439 50.900 1.00 31.16 O ATOM 765 CB MET A 141 20.349 -0.351 49.502 1.00 35.73 C ATOM 766 CG MET A 141 21.479 -0.825 48.593 1.00 39.77 C ATOM 767 SD MET A 141 20.947 -1.794 47.173 1.00 46.75 S ATOM 768 CE MET A 141 19.846 -3.018 47.924 1.00 43.33 C ATOM 0 H MET A 141 19.189 0.884 46.927 1.00 31.04 H new ATOM 0 HA MET A 141 18.562 -0.353 48.410 1.00 32.02 H new ATOM 0 HB2 MET A 141 20.717 0.280 50.141 1.00 35.73 H new ATOM 0 HB3 MET A 141 20.027 -1.113 50.009 1.00 35.73 H new ATOM 0 HG2 MET A 141 21.968 -0.050 48.275 1.00 39.77 H new ATOM 0 HG3 MET A 141 22.098 -1.356 49.118 1.00 39.77 H new ATOM 0 HE1 MET A 141 19.859 -3.832 47.396 1.00 43.33 H new ATOM 0 HE2 MET A 141 20.146 -3.213 48.826 1.00 43.33 H new ATOM 0 HE3 MET A 141 18.943 -2.666 47.953 1.00 43.33 H new ATOM 769 N ARG A 142 17.921 2.282 49.631 1.00 29.66 N ATOM 770 CA ARG A 142 17.110 3.009 50.609 1.00 27.84 C ATOM 771 C ARG A 142 15.752 2.338 50.736 1.00 27.22 C ATOM 772 O ARG A 142 15.248 1.779 49.771 1.00 28.14 O ATOM 773 CB ARG A 142 16.934 4.476 50.210 1.00 27.03 C ATOM 774 CG ARG A 142 16.229 5.295 51.272 1.00 25.79 C ATOM 775 CD ARG A 142 16.354 6.790 51.038 1.00 25.44 C ATOM 776 NE ARG A 142 15.560 7.500 52.031 1.00 25.50 N ATOM 777 CZ ARG A 142 15.525 8.817 52.188 1.00 25.41 C ATOM 778 NH1 ARG A 142 16.242 9.615 51.414 1.00 25.56 N ATOM 779 NH2 ARG A 142 14.780 9.334 53.151 1.00 26.37 N ATOM 0 H ARG A 142 18.117 2.725 48.921 1.00 29.66 H new ATOM 0 HA ARG A 142 17.569 2.988 51.463 1.00 27.84 H new ATOM 0 HB2 ARG A 142 17.805 4.865 50.033 1.00 27.03 H new ATOM 0 HB3 ARG A 142 16.429 4.523 49.383 1.00 27.03 H new ATOM 0 HG2 ARG A 142 15.290 5.052 51.292 1.00 25.79 H new ATOM 0 HG3 ARG A 142 16.598 5.076 52.142 1.00 25.79 H new ATOM 0 HD2 ARG A 142 17.284 7.061 51.098 1.00 25.44 H new ATOM 0 HD3 ARG A 142 16.050 7.015 50.145 1.00 25.44 H new ATOM 0 HE ARG A 142 15.074 7.027 52.559 1.00 25.50 H new ATOM 0 HH11 ARG A 142 16.741 9.282 50.798 1.00 25.56 H new ATOM 0 HH12 ARG A 142 16.209 10.467 51.527 1.00 25.56 H new ATOM 0 HH21 ARG A 142 14.325 8.818 53.667 1.00 26.37 H new ATOM 0 HH22 ARG A 142 14.750 10.186 53.261 1.00 26.37 H new ATOM 780 N ASN A 143 15.189 2.345 51.939 1.00 26.34 N ATOM 781 CA ASN A 143 13.889 1.726 52.171 1.00 24.98 C ATOM 782 C ASN A 143 12.820 2.787 52.221 1.00 23.66 C ATOM 783 O ASN A 143 13.050 3.885 52.721 1.00 23.58 O ATOM 784 CB ASN A 143 13.883 0.953 53.483 1.00 26.30 C ATOM 785 CG ASN A 143 15.017 -0.025 53.574 1.00 27.54 C ATOM 786 OD1 ASN A 143 15.083 -0.986 52.807 1.00 27.25 O ATOM 787 ND2 ASN A 143 15.944 0.233 54.492 1.00 28.09 N ATOM 0 H ASN A 143 15.544 2.704 52.636 1.00 26.34 H new ATOM 0 HA ASN A 143 13.713 1.111 51.442 1.00 24.98 H new ATOM 0 HB2 ASN A 143 13.937 1.577 54.224 1.00 26.30 H new ATOM 0 HB3 ASN A 143 13.042 0.479 53.572 1.00 26.30 H new ATOM 0 HD21 ASN A 143 16.628 -0.283 54.569 1.00 28.09 H new ATOM 0 HD22 ASN A 143 15.860 0.916 55.008 1.00 28.09 H new ATOM 788 N PHE A 144 11.646 2.437 51.716 1.00 22.43 N ATOM 789 CA PHE A 144 10.514 3.342 51.672 1.00 21.93 C ATOM 790 C PHE A 144 9.262 2.686 52.216 1.00 21.96 C ATOM 791 O PHE A 144 9.069 1.477 52.104 1.00 21.24 O ATOM 792 CB PHE A 144 10.279 3.822 50.238 1.00 21.42 C ATOM 793 CG PHE A 144 11.415 4.625 49.686 1.00 20.32 C ATOM 794 CD1 PHE A 144 11.463 5.999 49.882 1.00 20.78 C ATOM 795 CD2 PHE A 144 12.465 4.003 49.022 1.00 20.12 C ATOM 796 CE1 PHE A 144 12.529 6.734 49.436 1.00 19.77 C ATOM 797 CE2 PHE A 144 13.541 4.731 48.570 1.00 18.78 C ATOM 798 CZ PHE A 144 13.574 6.098 48.778 1.00 20.20 C ATOM 0 H PHE A 144 11.484 1.659 51.386 1.00 22.43 H new ATOM 0 HA PHE A 144 10.719 4.106 52.234 1.00 21.93 H new ATOM 0 HB2 PHE A 144 10.128 3.052 49.667 1.00 21.42 H new ATOM 0 HB3 PHE A 144 9.471 4.357 50.212 1.00 21.42 H new ATOM 0 HD1 PHE A 144 10.763 6.425 50.321 1.00 20.78 H new ATOM 0 HD2 PHE A 144 12.440 3.084 48.882 1.00 20.12 H new ATOM 0 HE1 PHE A 144 12.553 7.654 49.573 1.00 19.77 H new ATOM 0 HE2 PHE A 144 14.241 4.307 48.128 1.00 18.78 H new ATOM 0 HZ PHE A 144 14.300 6.594 48.476 1.00 20.20 H new ATOM 799 N SER A 145 8.405 3.512 52.793 1.00 22.39 N ATOM 800 CA SER A 145 7.162 3.055 53.380 1.00 23.53 C ATOM 801 C SER A 145 6.068 2.794 52.353 1.00 23.55 C ATOM 802 O SER A 145 5.086 2.118 52.660 1.00 23.78 O ATOM 803 CB SER A 145 6.667 4.099 54.375 1.00 23.42 C ATOM 804 OG SER A 145 6.640 5.377 53.765 1.00 23.95 O ATOM 0 H SER A 145 8.531 4.361 52.855 1.00 22.39 H new ATOM 0 HA SER A 145 7.351 2.209 53.816 1.00 23.53 H new ATOM 0 HB2 SER A 145 5.780 3.863 54.688 1.00 23.42 H new ATOM 0 HB3 SER A 145 7.247 4.116 55.153 1.00 23.42 H new ATOM 0 HG SER A 145 6.013 5.830 54.092 1.00 23.95 H new ATOM 805 N ARG A 146 6.226 3.345 51.151 1.00 22.76 N ATOM 806 CA ARG A 146 5.223 3.194 50.101 1.00 22.89 C ATOM 807 C ARG A 146 5.838 2.865 48.745 1.00 23.16 C ATOM 808 O ARG A 146 6.872 3.421 48.362 1.00 23.58 O ATOM 809 CB ARG A 146 4.405 4.470 49.982 1.00 22.96 C ATOM 810 CG ARG A 146 3.936 5.030 51.306 1.00 23.17 C ATOM 811 CD ARG A 146 2.464 5.284 51.265 1.00 24.09 C ATOM 812 NE ARG A 146 2.114 6.059 50.082 1.00 24.50 N ATOM 813 CZ ARG A 146 1.471 7.219 50.113 1.00 24.75 C ATOM 814 NH1 ARG A 146 1.099 7.757 51.271 1.00 23.43 N ATOM 815 NH2 ARG A 146 1.176 7.829 48.978 1.00 25.10 N ATOM 0 H ARG A 146 6.911 3.812 50.923 1.00 22.76 H new ATOM 0 HA ARG A 146 4.657 2.449 50.356 1.00 22.89 H new ATOM 0 HB2 ARG A 146 4.937 5.142 49.528 1.00 22.96 H new ATOM 0 HB3 ARG A 146 3.631 4.296 49.424 1.00 22.96 H new ATOM 0 HG2 ARG A 146 4.144 4.407 52.020 1.00 23.17 H new ATOM 0 HG3 ARG A 146 4.408 5.854 51.502 1.00 23.17 H new ATOM 0 HD2 ARG A 146 1.985 4.441 51.260 1.00 24.09 H new ATOM 0 HD3 ARG A 146 2.190 5.761 52.064 1.00 24.09 H new ATOM 0 HE ARG A 146 2.339 5.744 49.314 1.00 24.50 H new ATOM 0 HH11 ARG A 146 1.275 7.353 52.009 1.00 23.43 H new ATOM 0 HH12 ARG A 146 0.683 8.509 51.282 1.00 23.43 H new ATOM 0 HH21 ARG A 146 1.401 7.474 48.228 1.00 25.10 H new ATOM 0 HH22 ARG A 146 0.759 8.581 48.990 1.00 25.10 H new ATOM 816 N SER A 147 5.185 1.965 48.018 1.00 22.56 N ATOM 817 CA SER A 147 5.658 1.538 46.714 1.00 22.01 C ATOM 818 C SER A 147 5.643 2.689 45.724 1.00 21.86 C ATOM 819 O SER A 147 6.543 2.807 44.895 1.00 21.63 O ATOM 820 CB SER A 147 4.811 0.371 46.190 1.00 21.63 C ATOM 821 OG SER A 147 3.463 0.746 45.985 1.00 21.51 O ATOM 0 H SER A 147 4.455 1.586 48.270 1.00 22.56 H new ATOM 0 HA SER A 147 6.575 1.237 46.812 1.00 22.01 H new ATOM 0 HB2 SER A 147 5.187 0.049 45.356 1.00 21.63 H new ATOM 0 HB3 SER A 147 4.849 -0.364 46.821 1.00 21.63 H new ATOM 0 HG SER A 147 2.957 0.131 46.253 1.00 21.51 H new ATOM 822 N ASP A 148 4.621 3.539 45.817 1.00 22.05 N ATOM 823 CA ASP A 148 4.506 4.677 44.915 1.00 21.77 C ATOM 824 C ASP A 148 5.608 5.691 45.165 1.00 21.09 C ATOM 825 O ASP A 148 6.123 6.288 44.226 1.00 21.58 O ATOM 826 CB ASP A 148 3.108 5.317 44.984 1.00 22.50 C ATOM 827 CG ASP A 148 2.689 5.703 46.398 1.00 23.53 C ATOM 828 OD1 ASP A 148 3.013 4.978 47.359 1.00 25.06 O ATOM 829 OD2 ASP A 148 2.012 6.735 46.549 1.00 22.74 O ATOM 0 H ASP A 148 3.987 3.473 46.394 1.00 22.05 H new ATOM 0 HA ASP A 148 4.619 4.347 44.010 1.00 21.77 H new ATOM 0 HB2 ASP A 148 3.093 6.108 44.422 1.00 22.50 H new ATOM 0 HB3 ASP A 148 2.457 4.697 44.619 1.00 22.50 H new ATOM 830 N HIS A 149 5.999 5.855 46.426 1.00 21.17 N ATOM 831 CA HIS A 149 7.070 6.784 46.766 1.00 20.74 C ATOM 832 C HIS A 149 8.412 6.240 46.305 1.00 20.72 C ATOM 833 O HIS A 149 9.336 7.002 46.021 1.00 21.54 O ATOM 834 CB HIS A 149 7.086 7.073 48.260 1.00 20.11 C ATOM 835 CG HIS A 149 5.967 7.961 48.706 1.00 21.36 C ATOM 836 ND1 HIS A 149 5.242 8.738 47.832 1.00 20.74 N ATOM 837 CD2 HIS A 149 5.450 8.194 49.940 1.00 20.79 C ATOM 838 CE1 HIS A 149 4.323 9.415 48.504 1.00 21.40 C ATOM 839 NE2 HIS A 149 4.433 9.100 49.784 1.00 21.23 N ATOM 0 H HIS A 149 5.658 5.439 47.097 1.00 21.17 H new ATOM 0 HA HIS A 149 6.905 7.621 46.304 1.00 20.74 H new ATOM 0 HB2 HIS A 149 7.038 6.235 48.745 1.00 20.11 H new ATOM 0 HB3 HIS A 149 7.931 7.487 48.493 1.00 20.11 H new ATOM 0 HD2 HIS A 149 5.732 7.811 50.739 1.00 20.79 H new ATOM 0 HE1 HIS A 149 3.707 10.009 48.139 1.00 21.40 H new ATOM 0 HE2 HIS A 149 3.944 9.414 50.418 1.00 21.23 H new ATOM 840 N LEU A 150 8.515 4.918 46.213 1.00 20.86 N ATOM 841 CA LEU A 150 9.742 4.297 45.745 1.00 20.22 C ATOM 842 C LEU A 150 9.830 4.505 44.255 1.00 20.13 C ATOM 843 O LEU A 150 10.903 4.774 43.735 1.00 21.99 O ATOM 844 CB LEU A 150 9.776 2.802 46.059 1.00 19.99 C ATOM 845 CG LEU A 150 10.830 1.991 45.293 1.00 18.96 C ATOM 846 CD1 LEU A 150 12.225 2.488 45.613 1.00 17.44 C ATOM 847 CD2 LEU A 150 10.678 0.514 45.619 1.00 17.97 C ATOM 0 H LEU A 150 7.887 4.367 46.417 1.00 20.86 H new ATOM 0 HA LEU A 150 10.496 4.704 46.200 1.00 20.22 H new ATOM 0 HB2 LEU A 150 9.933 2.690 47.010 1.00 19.99 H new ATOM 0 HB3 LEU A 150 8.902 2.427 45.870 1.00 19.99 H new ATOM 0 HG LEU A 150 10.692 2.110 44.340 1.00 18.96 H new ATOM 0 HD11 LEU A 150 12.876 1.964 45.121 1.00 17.44 H new ATOM 0 HD12 LEU A 150 12.302 3.421 45.359 1.00 17.44 H new ATOM 0 HD13 LEU A 150 12.391 2.397 46.564 1.00 17.44 H new ATOM 0 HD21 LEU A 150 11.346 0.005 45.133 1.00 17.97 H new ATOM 0 HD22 LEU A 150 10.799 0.379 46.572 1.00 17.97 H new ATOM 0 HD23 LEU A 150 9.792 0.215 45.360 1.00 17.97 H new ATOM 848 N THR A 151 8.704 4.383 43.568 1.00 19.77 N ATOM 849 CA THR A 151 8.692 4.581 42.126 1.00 20.61 C ATOM 850 C THR A 151 9.230 5.958 41.739 1.00 20.35 C ATOM 851 O THR A 151 10.138 6.064 40.915 1.00 21.14 O ATOM 852 CB THR A 151 7.278 4.368 41.546 1.00 20.85 C ATOM 853 OG1 THR A 151 6.931 2.987 41.681 1.00 22.19 O ATOM 854 CG2 THR A 151 7.218 4.757 40.061 1.00 20.67 C ATOM 0 H THR A 151 7.941 4.188 43.914 1.00 19.77 H new ATOM 0 HA THR A 151 9.283 3.915 41.742 1.00 20.61 H new ATOM 0 HB THR A 151 6.656 4.931 42.033 1.00 20.85 H new ATOM 0 HG1 THR A 151 6.096 2.903 41.648 1.00 22.19 H new ATOM 0 HG21 THR A 151 6.320 4.613 39.725 1.00 20.67 H new ATOM 0 HG22 THR A 151 7.454 5.693 39.962 1.00 20.67 H new ATOM 0 HG23 THR A 151 7.843 4.211 39.558 1.00 20.67 H new ATOM 855 N THR A 152 8.709 7.008 42.361 1.00 20.01 N ATOM 856 CA THR A 152 9.164 8.357 42.050 1.00 19.44 C ATOM 857 C THR A 152 10.594 8.603 42.507 1.00 19.82 C ATOM 858 O THR A 152 11.299 9.419 41.922 1.00 20.30 O ATOM 859 CB THR A 152 8.238 9.420 42.640 1.00 19.19 C ATOM 860 OG1 THR A 152 8.125 9.228 44.056 1.00 19.08 O ATOM 861 CG2 THR A 152 6.861 9.333 41.986 1.00 18.11 C ATOM 0 H THR A 152 8.096 6.963 42.962 1.00 20.01 H new ATOM 0 HA THR A 152 9.141 8.431 41.083 1.00 19.44 H new ATOM 0 HB THR A 152 8.610 10.299 42.468 1.00 19.19 H new ATOM 0 HG1 THR A 152 8.615 8.588 44.292 1.00 19.08 H new ATOM 0 HG21 THR A 152 6.279 10.010 42.365 1.00 18.11 H new ATOM 0 HG22 THR A 152 6.946 9.479 41.031 1.00 18.11 H new ATOM 0 HG23 THR A 152 6.481 8.455 42.146 1.00 18.11 H new ATOM 862 N HIS A 153 11.022 7.895 43.548 1.00 20.01 N ATOM 863 CA HIS A 153 12.386 8.026 44.050 1.00 18.89 C ATOM 864 C HIS A 153 13.373 7.486 43.024 1.00 18.78 C ATOM 865 O HIS A 153 14.418 8.075 42.803 1.00 18.59 O ATOM 866 CB HIS A 153 12.559 7.250 45.357 1.00 19.12 C ATOM 867 CG HIS A 153 13.987 6.903 45.663 1.00 18.97 C ATOM 868 ND1 HIS A 153 14.862 7.788 46.252 1.00 18.04 N ATOM 869 CD2 HIS A 153 14.702 5.776 45.417 1.00 18.38 C ATOM 870 CE1 HIS A 153 16.054 7.228 46.355 1.00 17.36 C ATOM 871 NE2 HIS A 153 15.984 6.008 45.856 1.00 18.06 N ATOM 0 H HIS A 153 10.536 7.331 43.979 1.00 20.01 H new ATOM 0 HA HIS A 153 12.557 8.967 44.212 1.00 18.89 H new ATOM 0 HB2 HIS A 153 12.198 7.776 46.087 1.00 19.12 H new ATOM 0 HB3 HIS A 153 12.038 6.433 45.311 1.00 19.12 H new ATOM 0 HD1 HIS A 153 14.663 8.583 46.513 1.00 18.04 H new ATOM 0 HD2 HIS A 153 14.385 4.994 45.025 1.00 18.38 H new ATOM 0 HE1 HIS A 153 16.813 7.625 46.717 1.00 17.36 H new ATOM 872 N ILE A 154 13.052 6.339 42.431 1.00 19.32 N ATOM 873 CA ILE A 154 13.916 5.714 41.432 1.00 18.63 C ATOM 874 C ILE A 154 14.214 6.635 40.247 1.00 18.28 C ATOM 875 O ILE A 154 15.272 6.536 39.625 1.00 16.41 O ATOM 876 CB ILE A 154 13.323 4.373 40.949 1.00 18.92 C ATOM 877 CG1 ILE A 154 13.279 3.381 42.114 1.00 19.25 C ATOM 878 CG2 ILE A 154 14.176 3.787 39.839 1.00 19.41 C ATOM 879 CD1 ILE A 154 12.388 2.187 41.867 1.00 18.52 C ATOM 0 H ILE A 154 12.330 5.902 42.595 1.00 19.32 H new ATOM 0 HA ILE A 154 14.764 5.539 41.870 1.00 18.63 H new ATOM 0 HB ILE A 154 12.427 4.535 40.614 1.00 18.92 H new ATOM 0 HG12 ILE A 154 14.179 3.069 42.296 1.00 19.25 H new ATOM 0 HG13 ILE A 154 12.972 3.843 42.910 1.00 19.25 H new ATOM 0 HG21 ILE A 154 13.792 2.946 39.546 1.00 19.41 H new ATOM 0 HG22 ILE A 154 14.206 4.406 39.093 1.00 19.41 H new ATOM 0 HG23 ILE A 154 15.076 3.634 40.168 1.00 19.41 H new ATOM 0 HD11 ILE A 154 12.407 1.603 42.641 1.00 18.52 H new ATOM 0 HD12 ILE A 154 11.479 2.488 41.712 1.00 18.52 H new ATOM 0 HD13 ILE A 154 12.705 1.702 41.089 1.00 18.52 H new ATOM 880 N ARG A 155 13.293 7.550 39.959 1.00 18.91 N ATOM 881 CA ARG A 155 13.471 8.501 38.863 1.00 19.16 C ATOM 882 C ARG A 155 14.572 9.509 39.170 1.00 19.78 C ATOM 883 O ARG A 155 15.028 10.218 38.284 1.00 19.75 O ATOM 884 CB ARG A 155 12.163 9.236 38.563 1.00 19.10 C ATOM 885 CG ARG A 155 11.065 8.328 38.096 1.00 18.29 C ATOM 886 CD ARG A 155 9.827 9.098 37.732 1.00 18.99 C ATOM 887 NE ARG A 155 8.795 8.178 37.282 1.00 20.37 N ATOM 888 CZ ARG A 155 7.505 8.311 37.545 1.00 20.78 C ATOM 889 NH1 ARG A 155 7.070 9.345 38.247 1.00 21.33 N ATOM 890 NH2 ARG A 155 6.663 7.356 37.181 1.00 21.41 N ATOM 0 H ARG A 155 12.553 7.638 40.389 1.00 18.91 H new ATOM 0 HA ARG A 155 13.734 7.992 38.081 1.00 19.16 H new ATOM 0 HB2 ARG A 155 11.871 9.702 39.362 1.00 19.10 H new ATOM 0 HB3 ARG A 155 12.327 9.910 37.885 1.00 19.10 H new ATOM 0 HG2 ARG A 155 11.369 7.821 37.327 1.00 18.29 H new ATOM 0 HG3 ARG A 155 10.855 7.688 38.794 1.00 18.29 H new ATOM 0 HD2 ARG A 155 9.512 9.602 38.498 1.00 18.99 H new ATOM 0 HD3 ARG A 155 10.028 9.740 37.033 1.00 18.99 H new ATOM 0 HE ARG A 155 9.040 7.500 36.812 1.00 20.37 H new ATOM 0 HH11 ARG A 155 7.627 9.934 38.534 1.00 21.33 H new ATOM 0 HH12 ARG A 155 6.231 9.428 38.416 1.00 21.33 H new ATOM 0 HH21 ARG A 155 6.956 6.656 36.777 1.00 21.41 H new ATOM 0 HH22 ARG A 155 5.823 7.436 37.349 1.00 21.41 H new ATOM 891 N THR A 156 14.971 9.602 40.435 1.00 21.00 N ATOM 892 CA THR A 156 16.044 10.513 40.807 1.00 21.45 C ATOM 893 C THR A 156 17.376 9.885 40.377 1.00 22.07 C ATOM 894 O THR A 156 18.401 10.567 40.302 1.00 22.81 O ATOM 895 CB THR A 156 16.065 10.802 42.316 1.00 20.78 C ATOM 896 OG1 THR A 156 16.481 9.636 43.030 1.00 21.90 O ATOM 897 CG2 THR A 156 14.702 11.223 42.793 1.00 20.53 C ATOM 0 H THR A 156 14.636 9.151 41.086 1.00 21.00 H new ATOM 0 HA THR A 156 15.899 11.362 40.360 1.00 21.45 H new ATOM 0 HB THR A 156 16.692 11.524 42.481 1.00 20.78 H new ATOM 0 HG1 THR A 156 15.823 9.127 43.143 1.00 21.90 H new ATOM 0 HG21 THR A 156 14.733 11.401 43.746 1.00 20.53 H new ATOM 0 HG22 THR A 156 14.428 12.026 42.323 1.00 20.53 H new ATOM 0 HG23 THR A 156 14.064 10.513 42.618 1.00 20.53 H new ATOM 898 N HIS A 157 17.342 8.586 40.083 1.00 22.18 N ATOM 899 CA HIS A 157 18.520 7.846 39.636 1.00 23.29 C ATOM 900 C HIS A 157 18.569 7.733 38.105 1.00 23.73 C ATOM 901 O HIS A 157 19.614 7.955 37.497 1.00 25.43 O ATOM 902 CB HIS A 157 18.525 6.428 40.209 1.00 22.66 C ATOM 903 CG HIS A 157 18.578 6.364 41.702 1.00 22.77 C ATOM 904 ND1 HIS A 157 19.573 6.967 42.439 1.00 21.54 N ATOM 905 CD2 HIS A 157 17.797 5.704 42.588 1.00 22.45 C ATOM 906 CE1 HIS A 157 19.407 6.674 43.718 1.00 22.21 C ATOM 907 NE2 HIS A 157 18.337 5.909 43.835 1.00 22.12 N ATOM 0 H HIS A 157 16.630 8.107 40.138 1.00 22.18 H new ATOM 0 HA HIS A 157 19.292 8.341 39.953 1.00 23.29 H new ATOM 0 HB2 HIS A 157 17.729 5.965 39.905 1.00 22.66 H new ATOM 0 HB3 HIS A 157 19.287 5.948 39.849 1.00 22.66 H new ATOM 0 HD1 HIS A 157 20.203 7.457 42.118 1.00 21.54 H new ATOM 0 HD2 HIS A 157 17.037 5.205 42.390 1.00 22.45 H new ATOM 0 HE1 HIS A 157 19.951 6.958 44.416 1.00 22.21 H new ATOM 908 N THR A 158 17.443 7.368 37.491 1.00 23.68 N ATOM 909 CA THR A 158 17.363 7.194 36.038 1.00 22.85 C ATOM 910 C THR A 158 17.212 8.494 35.250 1.00 22.97 C ATOM 911 O THR A 158 17.566 8.566 34.068 1.00 23.06 O ATOM 912 CB THR A 158 16.186 6.279 35.657 1.00 22.43 C ATOM 913 OG1 THR A 158 14.955 6.921 36.010 1.00 21.72 O ATOM 914 CG2 THR A 158 16.288 4.942 36.381 1.00 21.69 C ATOM 0 H THR A 158 16.704 7.214 37.904 1.00 23.68 H new ATOM 0 HA THR A 158 18.216 6.799 35.798 1.00 22.85 H new ATOM 0 HB THR A 158 16.213 6.116 34.701 1.00 22.43 H new ATOM 0 HG1 THR A 158 14.344 6.347 36.061 1.00 21.72 H new ATOM 0 HG21 THR A 158 15.539 4.379 36.129 1.00 21.69 H new ATOM 0 HG22 THR A 158 17.118 4.504 36.136 1.00 21.69 H new ATOM 0 HG23 THR A 158 16.272 5.091 37.339 1.00 21.69 H new ATOM 915 N GLY A 159 16.671 9.513 35.903 1.00 22.43 N ATOM 916 CA GLY A 159 16.460 10.784 35.245 1.00 22.79 C ATOM 917 C GLY A 159 15.168 10.790 34.453 1.00 22.73 C ATOM 918 O GLY A 159 14.945 11.691 33.658 1.00 22.56 O ATOM 0 H GLY A 159 16.421 9.486 36.725 1.00 22.43 H new ATOM 0 HA2 GLY A 159 16.439 11.493 35.907 1.00 22.79 H new ATOM 0 HA3 GLY A 159 17.205 10.971 34.653 1.00 22.79 H new ATOM 919 N GLU A 160 14.323 9.781 34.655 1.00 23.28 N ATOM 920 CA GLU A 160 13.049 9.702 33.944 1.00 23.46 C ATOM 921 C GLU A 160 12.142 10.817 34.434 1.00 23.72 C ATOM 922 O GLU A 160 11.913 10.958 35.639 1.00 24.34 O ATOM 923 CB GLU A 160 12.375 8.357 34.187 1.00 24.28 C ATOM 924 CG GLU A 160 11.113 8.141 33.377 1.00 25.72 C ATOM 925 CD GLU A 160 10.253 7.036 33.937 1.00 27.56 C ATOM 926 OE1 GLU A 160 10.727 6.289 34.810 1.00 29.44 O ATOM 927 OE2 GLU A 160 9.086 6.917 33.524 1.00 30.96 O ATOM 0 H GLU A 160 14.469 9.132 35.200 1.00 23.28 H new ATOM 0 HA GLU A 160 13.214 9.795 32.993 1.00 23.46 H new ATOM 0 HB2 GLU A 160 13.005 7.649 33.981 1.00 24.28 H new ATOM 0 HB3 GLU A 160 12.160 8.280 35.130 1.00 24.28 H new ATOM 0 HG2 GLU A 160 10.602 8.965 33.353 1.00 25.72 H new ATOM 0 HG3 GLU A 160 11.352 7.929 32.461 1.00 25.72 H new ATOM 928 N LYS A 161 11.657 11.624 33.495 1.00 22.87 N ATOM 929 CA LYS A 161 10.780 12.748 33.792 1.00 22.49 C ATOM 930 C LYS A 161 9.617 12.681 32.815 1.00 22.64 C ATOM 931 O LYS A 161 9.611 13.360 31.789 1.00 22.74 O ATOM 932 CB LYS A 161 11.547 14.057 33.627 1.00 20.95 C ATOM 933 CG LYS A 161 12.711 14.174 34.580 1.00 21.52 C ATOM 934 CD LYS A 161 13.523 15.426 34.336 1.00 21.84 C ATOM 935 CE LYS A 161 14.660 15.505 35.335 1.00 22.14 C ATOM 936 NZ LYS A 161 15.182 16.883 35.465 1.00 22.65 N ATOM 0 H LYS A 161 11.831 11.532 32.658 1.00 22.87 H new ATOM 0 HA LYS A 161 10.455 12.708 34.705 1.00 22.49 H new ATOM 0 HB2 LYS A 161 11.872 14.124 32.716 1.00 20.95 H new ATOM 0 HB3 LYS A 161 10.942 14.802 33.768 1.00 20.95 H new ATOM 0 HG2 LYS A 161 12.381 14.177 35.492 1.00 21.52 H new ATOM 0 HG3 LYS A 161 13.283 13.396 34.487 1.00 21.52 H new ATOM 0 HD2 LYS A 161 13.875 15.422 33.432 1.00 21.84 H new ATOM 0 HD3 LYS A 161 12.957 16.209 34.416 1.00 21.84 H new ATOM 0 HE2 LYS A 161 14.353 15.193 36.200 1.00 22.14 H new ATOM 0 HE3 LYS A 161 15.376 14.913 35.058 1.00 22.14 H new ATOM 0 HZ1 LYS A 161 15.846 16.894 36.057 1.00 22.65 H new ATOM 0 HZ2 LYS A 161 15.484 17.162 34.676 1.00 22.65 H new ATOM 0 HZ3 LYS A 161 14.530 17.423 35.741 1.00 22.65 H new ATOM 937 N PRO A 162 8.581 11.901 33.156 1.00 22.43 N ATOM 938 CA PRO A 162 7.431 11.771 32.254 1.00 21.78 C ATOM 939 C PRO A 162 6.421 12.906 32.187 1.00 21.12 C ATOM 940 O PRO A 162 5.515 12.866 31.353 1.00 20.97 O ATOM 941 CB PRO A 162 6.795 10.453 32.697 1.00 21.94 C ATOM 942 CG PRO A 162 7.089 10.404 34.171 1.00 21.89 C ATOM 943 CD PRO A 162 8.469 11.009 34.330 1.00 21.84 C ATOM 0 HA PRO A 162 7.747 11.800 31.337 1.00 21.78 H new ATOM 0 HB2 PRO A 162 5.841 10.439 32.522 1.00 21.94 H new ATOM 0 HB3 PRO A 162 7.180 9.695 32.230 1.00 21.94 H new ATOM 0 HG2 PRO A 162 6.428 10.904 34.675 1.00 21.89 H new ATOM 0 HG3 PRO A 162 7.067 9.492 34.501 1.00 21.89 H new ATOM 0 HD2 PRO A 162 8.552 11.500 35.163 1.00 21.84 H new ATOM 0 HD3 PRO A 162 9.161 10.329 34.331 1.00 21.84 H new ATOM 944 N PHE A 163 6.605 13.945 32.997 1.00 20.03 N ATOM 945 CA PHE A 163 5.651 15.045 33.005 1.00 18.76 C ATOM 946 C PHE A 163 6.182 16.365 32.453 1.00 18.49 C ATOM 947 O PHE A 163 6.994 17.035 33.073 1.00 18.69 O ATOM 948 CB PHE A 163 5.078 15.192 34.411 1.00 18.96 C ATOM 949 CG PHE A 163 4.646 13.882 35.013 1.00 17.42 C ATOM 950 CD1 PHE A 163 3.466 13.280 34.622 1.00 17.21 C ATOM 951 CD2 PHE A 163 5.453 13.224 35.928 1.00 17.83 C ATOM 952 CE1 PHE A 163 3.099 12.036 35.129 1.00 17.61 C ATOM 953 CE2 PHE A 163 5.096 11.979 36.443 1.00 17.13 C ATOM 954 CZ PHE A 163 3.919 11.386 36.044 1.00 17.61 C ATOM 0 H PHE A 163 7.265 14.031 33.541 1.00 20.03 H new ATOM 0 HA PHE A 163 4.945 14.813 32.381 1.00 18.76 H new ATOM 0 HB2 PHE A 163 5.745 15.601 34.985 1.00 18.96 H new ATOM 0 HB3 PHE A 163 4.319 15.795 34.383 1.00 18.96 H new ATOM 0 HD1 PHE A 163 2.910 13.710 34.013 1.00 17.21 H new ATOM 0 HD2 PHE A 163 6.248 13.621 36.203 1.00 17.83 H new ATOM 0 HE1 PHE A 163 2.304 11.639 34.855 1.00 17.61 H new ATOM 0 HE2 PHE A 163 5.651 11.550 37.054 1.00 17.13 H new ATOM 0 HZ PHE A 163 3.674 10.556 36.385 1.00 17.61 H new ATOM 955 N ALA A 164 5.692 16.729 31.273 1.00 18.40 N ATOM 956 CA ALA A 164 6.109 17.943 30.581 1.00 18.26 C ATOM 957 C ALA A 164 5.149 19.114 30.760 1.00 18.22 C ATOM 958 O ALA A 164 3.934 18.966 30.645 1.00 18.03 O ATOM 959 CB ALA A 164 6.302 17.648 29.088 1.00 16.91 C ATOM 0 H ALA A 164 5.101 16.272 30.847 1.00 18.40 H new ATOM 0 HA ALA A 164 6.947 18.216 30.986 1.00 18.26 H new ATOM 0 HB1 ALA A 164 6.579 18.458 28.631 1.00 16.91 H new ATOM 0 HB2 ALA A 164 6.983 16.966 28.978 1.00 16.91 H new ATOM 0 HB3 ALA A 164 5.466 17.334 28.709 1.00 16.91 H new ATOM 960 N CYS A 165 5.707 20.285 31.038 1.00 18.45 N ATOM 961 CA CYS A 165 4.911 21.487 31.215 1.00 19.05 C ATOM 962 C CYS A 165 4.278 21.844 29.874 1.00 19.74 C ATOM 963 O CYS A 165 4.945 21.840 28.841 1.00 20.51 O ATOM 964 CB CYS A 165 5.791 22.634 31.715 1.00 18.30 C ATOM 965 SG CYS A 165 5.020 24.258 31.611 1.00 18.54 S ATOM 0 H CYS A 165 6.554 20.404 31.129 1.00 18.45 H new ATOM 0 HA CYS A 165 4.217 21.334 31.875 1.00 19.05 H new ATOM 0 HB2 CYS A 165 6.035 22.462 32.638 1.00 18.30 H new ATOM 0 HB3 CYS A 165 6.614 22.644 31.201 1.00 18.30 H new ATOM 966 N ASP A 166 2.979 22.119 29.887 1.00 19.86 N ATOM 967 CA ASP A 166 2.261 22.466 28.672 1.00 19.89 C ATOM 968 C ASP A 166 2.738 23.767 28.034 1.00 19.29 C ATOM 969 O ASP A 166 2.691 23.918 26.810 1.00 18.38 O ATOM 970 CB ASP A 166 0.756 22.536 28.947 1.00 19.99 C ATOM 971 CG ASP A 166 0.134 21.167 29.170 1.00 21.08 C ATOM 972 OD1 ASP A 166 0.588 20.155 28.581 1.00 20.33 O ATOM 973 OD2 ASP A 166 -0.845 21.111 29.932 1.00 23.06 O ATOM 0 H ASP A 166 2.493 22.109 30.597 1.00 19.86 H new ATOM 0 HA ASP A 166 2.449 21.761 28.033 1.00 19.89 H new ATOM 0 HB2 ASP A 166 0.600 23.089 29.728 1.00 19.99 H new ATOM 0 HB3 ASP A 166 0.315 22.969 28.200 1.00 19.99 H new ATOM 974 N ILE A 167 3.210 24.699 28.854 1.00 18.59 N ATOM 975 CA ILE A 167 3.663 25.973 28.327 1.00 18.67 C ATOM 976 C ILE A 167 5.074 25.964 27.758 1.00 19.91 C ATOM 977 O ILE A 167 5.289 26.436 26.648 1.00 21.76 O ATOM 978 CB ILE A 167 3.547 27.095 29.379 1.00 18.15 C ATOM 979 CG1 ILE A 167 2.113 27.178 29.903 1.00 16.82 C ATOM 980 CG2 ILE A 167 3.998 28.446 28.797 1.00 17.79 C ATOM 981 CD1 ILE A 167 1.088 27.418 28.856 1.00 15.33 C ATOM 0 H ILE A 167 3.275 24.613 29.707 1.00 18.59 H new ATOM 0 HA ILE A 167 3.065 26.146 27.583 1.00 18.67 H new ATOM 0 HB ILE A 167 4.135 26.883 30.120 1.00 18.15 H new ATOM 0 HG12 ILE A 167 1.901 26.351 30.364 1.00 16.82 H new ATOM 0 HG13 ILE A 167 2.061 27.890 30.560 1.00 16.82 H new ATOM 0 HG21 ILE A 167 3.916 29.134 29.476 1.00 17.79 H new ATOM 0 HG22 ILE A 167 4.923 28.383 28.511 1.00 17.79 H new ATOM 0 HG23 ILE A 167 3.440 28.674 28.037 1.00 17.79 H new ATOM 0 HD11 ILE A 167 0.210 27.458 29.266 1.00 15.33 H new ATOM 0 HD12 ILE A 167 1.273 28.258 28.408 1.00 15.33 H new ATOM 0 HD13 ILE A 167 1.110 26.695 28.209 1.00 15.33 H new ATOM 982 N CYS A 168 6.037 25.417 28.489 1.00 20.32 N ATOM 983 CA CYS A 168 7.415 25.436 28.006 1.00 20.63 C ATOM 984 C CYS A 168 7.999 24.082 27.648 1.00 20.51 C ATOM 985 O CYS A 168 9.113 24.008 27.122 1.00 20.41 O ATOM 986 CB CYS A 168 8.323 26.124 29.030 1.00 20.54 C ATOM 987 SG CYS A 168 8.600 25.203 30.567 1.00 21.07 S ATOM 0 H CYS A 168 5.920 25.037 29.252 1.00 20.32 H new ATOM 0 HA CYS A 168 7.378 25.933 27.174 1.00 20.63 H new ATOM 0 HB2 CYS A 168 9.182 26.295 28.614 1.00 20.54 H new ATOM 0 HB3 CYS A 168 7.939 26.986 29.252 1.00 20.54 H new ATOM 988 N GLY A 169 7.274 23.015 27.969 1.00 20.19 N ATOM 989 CA GLY A 169 7.757 21.677 27.665 1.00 19.99 C ATOM 990 C GLY A 169 8.759 21.098 28.652 1.00 19.87 C ATOM 991 O GLY A 169 9.191 19.959 28.485 1.00 19.91 O ATOM 0 H GLY A 169 6.508 23.045 28.359 1.00 20.19 H new ATOM 0 HA2 GLY A 169 6.995 21.079 27.615 1.00 19.99 H new ATOM 0 HA3 GLY A 169 8.165 21.690 26.785 1.00 19.99 H new ATOM 992 N ARG A 170 9.128 21.862 29.681 1.00 20.05 N ATOM 993 CA ARG A 170 10.079 21.387 30.686 1.00 20.09 C ATOM 994 C ARG A 170 9.560 20.114 31.362 1.00 20.32 C ATOM 995 O ARG A 170 8.393 20.045 31.719 1.00 20.89 O ATOM 996 CB ARG A 170 10.329 22.468 31.727 1.00 20.26 C ATOM 997 CG ARG A 170 11.388 22.077 32.705 1.00 21.64 C ATOM 998 CD ARG A 170 11.720 23.194 33.638 1.00 23.36 C ATOM 999 NE ARG A 170 12.672 22.733 34.638 1.00 26.78 N ATOM 1000 CZ ARG A 170 13.287 23.521 35.515 1.00 28.35 C ATOM 1001 NH1 ARG A 170 13.048 24.827 35.525 1.00 29.19 N ATOM 1002 NH2 ARG A 170 14.165 23.002 36.368 1.00 29.46 N ATOM 0 H ARG A 170 8.838 22.660 29.815 1.00 20.05 H new ATOM 0 HA ARG A 170 10.916 21.180 30.241 1.00 20.09 H new ATOM 0 HB2 ARG A 170 10.590 23.289 31.282 1.00 20.26 H new ATOM 0 HB3 ARG A 170 9.504 22.653 32.203 1.00 20.26 H new ATOM 0 HG2 ARG A 170 11.089 21.308 33.215 1.00 21.64 H new ATOM 0 HG3 ARG A 170 12.187 21.807 32.226 1.00 21.64 H new ATOM 0 HD2 ARG A 170 12.094 23.940 33.143 1.00 23.36 H new ATOM 0 HD3 ARG A 170 10.914 23.516 34.071 1.00 23.36 H new ATOM 0 HE ARG A 170 12.849 21.892 34.663 1.00 26.78 H new ATOM 0 HH11 ARG A 170 12.493 25.167 34.963 1.00 29.19 H new ATOM 0 HH12 ARG A 170 13.448 25.333 36.094 1.00 29.19 H new ATOM 0 HH21 ARG A 170 14.334 22.159 36.352 1.00 29.46 H new ATOM 0 HH22 ARG A 170 14.564 23.509 36.936 1.00 29.46 H new ATOM 1003 N LYS A 171 10.425 19.111 31.524 1.00 21.19 N ATOM 1004 CA LYS A 171 10.036 17.828 32.124 1.00 20.92 C ATOM 1005 C LYS A 171 10.298 17.702 33.609 1.00 20.46 C ATOM 1006 O LYS A 171 11.235 18.291 34.142 1.00 20.42 O ATOM 1007 CB LYS A 171 10.712 16.659 31.416 1.00 22.33 C ATOM 1008 CG LYS A 171 10.499 16.627 29.923 1.00 25.26 C ATOM 1009 CD LYS A 171 11.181 15.413 29.321 1.00 28.44 C ATOM 1010 CE LYS A 171 11.259 15.523 27.807 1.00 31.16 C ATOM 1011 NZ LYS A 171 9.941 15.928 27.232 1.00 33.33 N ATOM 0 H LYS A 171 11.252 19.153 31.291 1.00 21.19 H new ATOM 0 HA LYS A 171 9.074 17.802 32.005 1.00 20.92 H new ATOM 0 HB2 LYS A 171 11.665 16.694 31.595 1.00 22.33 H new ATOM 0 HB3 LYS A 171 10.382 15.830 31.797 1.00 22.33 H new ATOM 0 HG2 LYS A 171 9.550 16.604 29.726 1.00 25.26 H new ATOM 0 HG3 LYS A 171 10.852 17.437 29.522 1.00 25.26 H new ATOM 0 HD2 LYS A 171 12.075 15.325 29.688 1.00 28.44 H new ATOM 0 HD3 LYS A 171 10.694 14.611 29.565 1.00 28.44 H new ATOM 0 HE2 LYS A 171 11.936 16.172 27.561 1.00 31.16 H new ATOM 0 HE3 LYS A 171 11.532 14.672 27.431 1.00 31.16 H new ATOM 0 HZ1 LYS A 171 9.830 15.539 26.439 1.00 33.33 H new ATOM 0 HZ2 LYS A 171 9.287 15.675 27.780 1.00 33.33 H new ATOM 0 HZ3 LYS A 171 9.919 16.812 27.133 1.00 33.33 H new ATOM 1012 N PHE A 172 9.471 16.882 34.255 1.00 19.57 N ATOM 1013 CA PHE A 172 9.539 16.639 35.691 1.00 18.43 C ATOM 1014 C PHE A 172 9.277 15.167 36.012 1.00 18.31 C ATOM 1015 O PHE A 172 8.526 14.490 35.308 1.00 18.03 O ATOM 1016 CB PHE A 172 8.523 17.528 36.420 1.00 17.15 C ATOM 1017 CG PHE A 172 8.769 18.995 36.235 1.00 15.48 C ATOM 1018 CD1 PHE A 172 9.615 19.687 37.093 1.00 16.37 C ATOM 1019 CD2 PHE A 172 8.189 19.676 35.177 1.00 15.35 C ATOM 1020 CE1 PHE A 172 9.881 21.038 36.888 1.00 15.51 C ATOM 1021 CE2 PHE A 172 8.447 21.024 34.961 1.00 13.67 C ATOM 1022 CZ PHE A 172 9.290 21.702 35.814 1.00 15.13 C ATOM 0 H PHE A 172 8.844 16.444 33.862 1.00 19.57 H new ATOM 0 HA PHE A 172 10.433 16.859 35.996 1.00 18.43 H new ATOM 0 HB2 PHE A 172 7.631 17.315 36.103 1.00 17.15 H new ATOM 0 HB3 PHE A 172 8.544 17.321 37.367 1.00 17.15 H new ATOM 0 HD1 PHE A 172 10.007 19.244 37.810 1.00 16.37 H new ATOM 0 HD2 PHE A 172 7.617 19.223 34.601 1.00 15.35 H new ATOM 0 HE1 PHE A 172 10.450 21.495 37.464 1.00 15.51 H new ATOM 0 HE2 PHE A 172 8.053 21.466 34.244 1.00 13.67 H new ATOM 0 HZ PHE A 172 9.465 22.604 35.673 1.00 15.13 H new ATOM 1023 N ALA A 173 9.919 14.678 37.074 1.00 18.51 N ATOM 1024 CA ALA A 173 9.787 13.293 37.516 1.00 18.24 C ATOM 1025 C ALA A 173 8.413 13.021 38.104 1.00 18.39 C ATOM 1026 O ALA A 173 7.898 11.903 38.012 1.00 19.18 O ATOM 1027 CB ALA A 173 10.863 12.963 38.539 1.00 18.02 C ATOM 0 H ALA A 173 10.449 15.148 37.562 1.00 18.51 H new ATOM 0 HA ALA A 173 9.897 12.725 36.738 1.00 18.24 H new ATOM 0 HB1 ALA A 173 10.766 12.041 38.825 1.00 18.02 H new ATOM 0 HB2 ALA A 173 11.738 13.086 38.140 1.00 18.02 H new ATOM 0 HB3 ALA A 173 10.772 13.551 39.305 1.00 18.02 H new ATOM 1028 N ARG A 174 7.824 14.053 38.706 1.00 18.35 N ATOM 1029 CA ARG A 174 6.510 13.937 39.331 1.00 17.61 C ATOM 1030 C ARG A 174 5.517 14.943 38.790 1.00 17.36 C ATOM 1031 O ARG A 174 5.875 16.060 38.432 1.00 17.38 O ATOM 1032 CB ARG A 174 6.619 14.107 40.851 1.00 16.50 C ATOM 1033 CG ARG A 174 7.698 13.265 41.488 1.00 17.11 C ATOM 1034 CD ARG A 174 7.447 13.030 42.971 1.00 17.76 C ATOM 1035 NE ARG A 174 7.119 14.246 43.713 1.00 17.61 N ATOM 1036 CZ ARG A 174 7.638 14.565 44.895 1.00 17.29 C ATOM 1037 NH1 ARG A 174 8.525 13.772 45.475 1.00 16.90 N ATOM 1038 NH2 ARG A 174 7.225 15.652 45.524 1.00 17.23 N ATOM 0 H ARG A 174 8.174 14.836 38.763 1.00 18.35 H new ATOM 0 HA ARG A 174 6.183 13.049 39.117 1.00 17.61 H new ATOM 0 HB2 ARG A 174 6.790 15.041 41.051 1.00 16.50 H new ATOM 0 HB3 ARG A 174 5.766 13.882 41.254 1.00 16.50 H new ATOM 0 HG2 ARG A 174 7.750 12.411 41.032 1.00 17.11 H new ATOM 0 HG3 ARG A 174 8.557 13.702 41.373 1.00 17.11 H new ATOM 0 HD2 ARG A 174 6.721 12.394 43.071 1.00 17.76 H new ATOM 0 HD3 ARG A 174 8.236 12.624 43.364 1.00 17.76 H new ATOM 0 HE ARG A 174 6.553 14.791 43.362 1.00 17.61 H new ATOM 0 HH11 ARG A 174 8.770 13.044 45.087 1.00 16.90 H new ATOM 0 HH12 ARG A 174 8.857 13.984 46.240 1.00 16.90 H new ATOM 0 HH21 ARG A 174 6.622 16.151 45.169 1.00 17.23 H new ATOM 0 HH22 ARG A 174 7.560 15.860 46.289 1.00 17.23 H new ATOM 1039 N SER A 175 4.254 14.537 38.750 1.00 17.93 N ATOM 1040 CA SER A 175 3.187 15.396 38.267 1.00 18.24 C ATOM 1041 C SER A 175 3.035 16.612 39.174 1.00 17.61 C ATOM 1042 O SER A 175 2.786 17.705 38.685 1.00 18.00 O ATOM 1043 CB SER A 175 1.867 14.632 38.185 1.00 17.73 C ATOM 1044 OG SER A 175 1.448 14.249 39.477 1.00 20.36 O ATOM 0 H SER A 175 3.994 13.757 39.002 1.00 17.93 H new ATOM 0 HA SER A 175 3.421 15.696 37.375 1.00 18.24 H new ATOM 0 HB2 SER A 175 1.189 15.187 37.769 1.00 17.73 H new ATOM 0 HB3 SER A 175 1.974 13.847 37.626 1.00 17.73 H new ATOM 0 HG SER A 175 1.093 13.488 39.443 1.00 20.36 H new ATOM 1045 N ASP A 176 3.253 16.440 40.478 1.00 17.22 N ATOM 1046 CA ASP A 176 3.117 17.567 41.400 1.00 17.71 C ATOM 1047 C ASP A 176 4.206 18.609 41.210 1.00 17.82 C ATOM 1048 O ASP A 176 3.980 19.799 41.454 1.00 17.83 O ATOM 1049 CB ASP A 176 2.994 17.124 42.874 1.00 17.12 C ATOM 1050 CG ASP A 176 4.229 16.431 43.395 1.00 17.04 C ATOM 1051 OD1 ASP A 176 4.587 15.365 42.866 1.00 17.64 O ATOM 1052 OD2 ASP A 176 4.832 16.936 44.359 1.00 18.00 O ATOM 0 H ASP A 176 3.476 15.694 40.843 1.00 17.22 H new ATOM 0 HA ASP A 176 2.277 17.995 41.171 1.00 17.71 H new ATOM 0 HB2 ASP A 176 2.811 17.901 43.424 1.00 17.12 H new ATOM 0 HB3 ASP A 176 2.234 16.528 42.963 1.00 17.12 H new ATOM 1053 N GLU A 177 5.374 18.175 40.744 1.00 17.75 N ATOM 1054 CA GLU A 177 6.465 19.109 40.490 1.00 18.69 C ATOM 1055 C GLU A 177 6.108 19.890 39.238 1.00 19.23 C ATOM 1056 O GLU A 177 6.360 21.093 39.147 1.00 20.47 O ATOM 1057 CB GLU A 177 7.772 18.377 40.269 1.00 18.69 C ATOM 1058 CG GLU A 177 8.247 17.598 41.472 1.00 20.90 C ATOM 1059 CD GLU A 177 9.495 16.793 41.176 1.00 21.58 C ATOM 1060 OE1 GLU A 177 9.675 16.394 40.005 1.00 22.83 O ATOM 1061 OE2 GLU A 177 10.291 16.557 42.109 1.00 22.17 O ATOM 0 H GLU A 177 5.554 17.352 40.570 1.00 17.75 H new ATOM 0 HA GLU A 177 6.580 19.694 41.255 1.00 18.69 H new ATOM 0 HB2 GLU A 177 7.669 17.769 39.521 1.00 18.69 H new ATOM 0 HB3 GLU A 177 8.455 19.020 40.021 1.00 18.69 H new ATOM 0 HG2 GLU A 177 8.425 18.211 42.202 1.00 20.90 H new ATOM 0 HG3 GLU A 177 7.542 17.001 41.768 1.00 20.90 H new ATOM 1062 N ARG A 178 5.508 19.205 38.272 1.00 19.11 N ATOM 1063 CA ARG A 178 5.102 19.873 37.061 1.00 18.80 C ATOM 1064 C ARG A 178 4.033 20.888 37.435 1.00 19.16 C ATOM 1065 O ARG A 178 4.081 22.028 36.984 1.00 19.70 O ATOM 1066 CB ARG A 178 4.554 18.889 36.035 1.00 19.79 C ATOM 1067 CG ARG A 178 4.499 19.512 34.646 1.00 22.81 C ATOM 1068 CD ARG A 178 3.127 19.478 34.034 1.00 24.31 C ATOM 1069 NE ARG A 178 2.801 18.161 33.509 1.00 27.34 N ATOM 1070 CZ ARG A 178 1.872 17.357 34.010 1.00 28.55 C ATOM 1071 NH1 ARG A 178 1.149 17.729 35.069 1.00 29.69 N ATOM 1072 NH2 ARG A 178 1.687 16.167 33.455 1.00 29.37 N ATOM 0 H ARG A 178 5.332 18.364 38.303 1.00 19.11 H new ATOM 0 HA ARG A 178 5.869 20.307 36.656 1.00 18.80 H new ATOM 0 HB2 ARG A 178 5.112 18.096 36.014 1.00 19.79 H new ATOM 0 HB3 ARG A 178 3.665 18.604 36.299 1.00 19.79 H new ATOM 0 HG2 ARG A 178 4.800 20.433 34.699 1.00 22.81 H new ATOM 0 HG3 ARG A 178 5.118 19.044 34.064 1.00 22.81 H new ATOM 0 HD2 ARG A 178 2.469 19.732 34.700 1.00 24.31 H new ATOM 0 HD3 ARG A 178 3.075 20.133 33.320 1.00 24.31 H new ATOM 0 HE ARG A 178 3.242 17.884 32.825 1.00 27.34 H new ATOM 0 HH11 ARG A 178 1.283 18.496 35.433 1.00 29.69 H new ATOM 0 HH12 ARG A 178 0.549 17.201 35.387 1.00 29.69 H new ATOM 0 HH21 ARG A 178 2.165 15.928 32.782 1.00 29.37 H new ATOM 0 HH22 ARG A 178 1.089 15.635 33.768 1.00 29.37 H new ATOM 1073 N LYS A 179 3.076 20.473 38.269 1.00 19.29 N ATOM 1074 CA LYS A 179 2.001 21.358 38.714 1.00 19.12 C ATOM 1075 C LYS A 179 2.570 22.603 39.391 1.00 19.05 C ATOM 1076 O LYS A 179 2.147 23.727 39.100 1.00 18.99 O ATOM 1077 CB LYS A 179 1.036 20.646 39.675 1.00 19.73 C ATOM 1078 CG LYS A 179 0.009 21.611 40.279 1.00 21.24 C ATOM 1079 CD LYS A 179 -0.886 20.971 41.301 1.00 22.63 C ATOM 1080 CE LYS A 179 -1.882 20.054 40.651 1.00 24.25 C ATOM 1081 NZ LYS A 179 -2.705 19.379 41.685 1.00 27.31 N ATOM 0 H LYS A 179 3.033 19.676 38.590 1.00 19.29 H new ATOM 0 HA LYS A 179 1.504 21.620 37.923 1.00 19.12 H new ATOM 0 HB2 LYS A 179 0.573 19.938 39.201 1.00 19.73 H new ATOM 0 HB3 LYS A 179 1.542 20.226 40.388 1.00 19.73 H new ATOM 0 HG2 LYS A 179 0.477 22.355 40.690 1.00 21.24 H new ATOM 0 HG3 LYS A 179 -0.537 21.979 39.566 1.00 21.24 H new ATOM 0 HD2 LYS A 179 -0.350 20.472 41.937 1.00 22.63 H new ATOM 0 HD3 LYS A 179 -1.353 21.658 41.801 1.00 22.63 H new ATOM 0 HE2 LYS A 179 -2.454 20.559 40.051 1.00 24.25 H new ATOM 0 HE3 LYS A 179 -1.420 19.392 40.113 1.00 24.25 H new ATOM 0 HZ1 LYS A 179 -3.272 18.816 41.293 1.00 27.31 H new ATOM 0 HZ2 LYS A 179 -2.175 18.927 42.239 1.00 27.31 H new ATOM 0 HZ3 LYS A 179 -3.163 19.988 42.145 1.00 27.31 H new ATOM 1082 N ARG A 180 3.539 22.402 40.281 1.00 18.57 N ATOM 1083 CA ARG A 180 4.164 23.522 40.969 1.00 18.23 C ATOM 1084 C ARG A 180 4.855 24.438 39.959 1.00 17.81 C ATOM 1085 O ARG A 180 4.840 25.657 40.094 1.00 18.00 O ATOM 1086 CB ARG A 180 5.176 23.022 42.001 1.00 18.26 C ATOM 1087 CG ARG A 180 5.783 24.134 42.845 1.00 18.78 C ATOM 1088 CD ARG A 180 6.709 23.586 43.905 1.00 18.71 C ATOM 1089 NE ARG A 180 7.808 22.814 43.328 1.00 18.99 N ATOM 1090 CZ ARG A 180 8.764 22.228 44.039 1.00 18.42 C ATOM 1091 NH1 ARG A 180 8.761 22.322 45.360 1.00 18.72 N ATOM 1092 NH2 ARG A 180 9.721 21.546 43.431 1.00 17.66 N ATOM 0 H ARG A 180 3.846 21.629 40.498 1.00 18.57 H new ATOM 0 HA ARG A 180 3.474 24.023 41.431 1.00 18.23 H new ATOM 0 HB2 ARG A 180 4.741 22.382 42.586 1.00 18.26 H new ATOM 0 HB3 ARG A 180 5.888 22.549 41.542 1.00 18.26 H new ATOM 0 HG2 ARG A 180 6.272 24.746 42.272 1.00 18.78 H new ATOM 0 HG3 ARG A 180 5.074 24.645 43.266 1.00 18.78 H new ATOM 0 HD2 ARG A 180 7.070 24.319 44.428 1.00 18.71 H new ATOM 0 HD3 ARG A 180 6.205 23.024 44.514 1.00 18.71 H new ATOM 0 HE ARG A 180 7.837 22.734 42.472 1.00 18.99 H new ATOM 0 HH11 ARG A 180 8.139 22.763 45.758 1.00 18.72 H new ATOM 0 HH12 ARG A 180 9.381 21.942 45.820 1.00 18.72 H new ATOM 0 HH21 ARG A 180 9.725 21.482 42.573 1.00 17.66 H new ATOM 0 HH22 ARG A 180 10.339 21.167 43.893 1.00 17.66 H new ATOM 1093 N HIS A 181 5.442 23.844 38.932 1.00 17.35 N ATOM 1094 CA HIS A 181 6.127 24.621 37.925 1.00 17.77 C ATOM 1095 C HIS A 181 5.200 25.450 37.038 1.00 18.71 C ATOM 1096 O HIS A 181 5.336 26.661 36.956 1.00 17.60 O ATOM 1097 CB HIS A 181 6.987 23.697 37.069 1.00 17.71 C ATOM 1098 CG HIS A 181 7.459 24.318 35.792 1.00 17.45 C ATOM 1099 ND1 HIS A 181 8.623 25.045 35.706 1.00 16.65 N ATOM 1100 CD2 HIS A 181 6.899 24.353 34.563 1.00 18.00 C ATOM 1101 CE1 HIS A 181 8.756 25.509 34.479 1.00 17.40 C ATOM 1102 NE2 HIS A 181 7.726 25.107 33.764 1.00 17.99 N ATOM 0 H HIS A 181 5.453 22.994 38.803 1.00 17.35 H new ATOM 0 HA HIS A 181 6.679 25.262 38.400 1.00 17.77 H new ATOM 0 HB2 HIS A 181 7.758 23.416 37.586 1.00 17.71 H new ATOM 0 HB3 HIS A 181 6.479 22.897 36.861 1.00 17.71 H new ATOM 0 HD1 HIS A 181 9.177 25.176 36.351 1.00 16.65 H new ATOM 0 HD2 HIS A 181 6.104 23.944 34.306 1.00 18.00 H new ATOM 0 HE1 HIS A 181 9.460 26.033 34.170 1.00 17.40 H new ATOM 1103 N THR A 182 4.285 24.780 36.351 1.00 19.91 N ATOM 1104 CA THR A 182 3.362 25.429 35.430 1.00 21.36 C ATOM 1105 C THR A 182 2.881 26.816 35.849 1.00 22.51 C ATOM 1106 O THR A 182 2.809 27.730 35.021 1.00 23.37 O ATOM 1107 CB THR A 182 2.125 24.547 35.171 1.00 22.31 C ATOM 1108 OG1 THR A 182 2.549 23.229 34.797 1.00 22.99 O ATOM 1109 CG2 THR A 182 1.272 25.135 34.049 1.00 21.60 C ATOM 0 H THR A 182 4.181 23.928 36.406 1.00 19.91 H new ATOM 0 HA THR A 182 3.890 25.548 34.625 1.00 21.36 H new ATOM 0 HB THR A 182 1.595 24.509 35.983 1.00 22.31 H new ATOM 0 HG1 THR A 182 2.868 22.836 35.467 1.00 22.99 H new ATOM 0 HG21 THR A 182 0.499 24.569 33.899 1.00 21.60 H new ATOM 0 HG22 THR A 182 0.977 26.025 34.299 1.00 21.60 H new ATOM 0 HG23 THR A 182 1.798 25.186 33.235 1.00 21.60 H new ATOM 1110 N LYS A 183 2.602 26.983 37.137 1.00 22.59 N ATOM 1111 CA LYS A 183 2.099 28.249 37.638 1.00 22.39 C ATOM 1112 C LYS A 183 3.060 29.412 37.571 1.00 22.80 C ATOM 1113 O LYS A 183 2.655 30.543 37.797 1.00 24.54 O ATOM 1114 CB LYS A 183 1.568 28.098 39.060 1.00 23.78 C ATOM 1115 CG LYS A 183 2.635 27.870 40.093 1.00 25.42 C ATOM 1116 CD LYS A 183 2.064 27.768 41.495 1.00 26.77 C ATOM 1117 CE LYS A 183 3.170 27.549 42.513 1.00 28.10 C ATOM 1118 NZ LYS A 183 4.486 28.026 41.980 1.00 29.49 N ATOM 0 H LYS A 183 2.698 26.373 37.736 1.00 22.59 H new ATOM 0 HA LYS A 183 1.382 28.476 37.025 1.00 22.39 H new ATOM 0 HB2 LYS A 183 1.069 28.896 39.295 1.00 23.78 H new ATOM 0 HB3 LYS A 183 0.944 27.356 39.085 1.00 23.78 H new ATOM 0 HG2 LYS A 183 3.118 27.056 39.882 1.00 25.42 H new ATOM 0 HG3 LYS A 183 3.276 28.597 40.059 1.00 25.42 H new ATOM 0 HD2 LYS A 183 1.577 28.579 41.710 1.00 26.77 H new ATOM 0 HD3 LYS A 183 1.429 27.036 41.538 1.00 26.77 H new ATOM 0 HE2 LYS A 183 2.958 28.021 43.333 1.00 28.10 H new ATOM 0 HE3 LYS A 183 3.229 26.607 42.735 1.00 28.10 H new ATOM 0 HZ1 LYS A 183 5.086 28.039 42.638 1.00 29.49 H new ATOM 0 HZ2 LYS A 183 4.763 27.476 41.337 1.00 29.49 H new ATOM 0 HZ3 LYS A 183 4.392 28.846 41.648 1.00 29.49 H new ATOM 1119 N ILE A 184 4.323 29.163 37.256 1.00 22.02 N ATOM 1120 CA ILE A 184 5.276 30.256 37.178 1.00 22.05 C ATOM 1121 C ILE A 184 5.073 31.051 35.881 1.00 23.00 C ATOM 1122 O ILE A 184 5.503 32.198 35.775 1.00 23.07 O ATOM 1123 CB ILE A 184 6.763 29.754 37.273 1.00 22.05 C ATOM 1124 CG1 ILE A 184 7.204 29.061 35.978 1.00 20.07 C ATOM 1125 CG2 ILE A 184 6.943 28.827 38.480 1.00 20.94 C ATOM 1126 CD1 ILE A 184 8.672 28.814 35.923 1.00 18.95 C ATOM 0 H ILE A 184 4.644 28.383 37.087 1.00 22.02 H new ATOM 0 HA ILE A 184 5.112 30.833 37.940 1.00 22.05 H new ATOM 0 HB ILE A 184 7.332 30.530 37.396 1.00 22.05 H new ATOM 0 HG12 ILE A 184 6.735 28.216 35.893 1.00 20.07 H new ATOM 0 HG13 ILE A 184 6.944 29.607 35.220 1.00 20.07 H new ATOM 0 HG21 ILE A 184 7.864 28.527 38.523 1.00 20.94 H new ATOM 0 HG22 ILE A 184 6.721 29.307 39.293 1.00 20.94 H new ATOM 0 HG23 ILE A 184 6.358 28.059 38.389 1.00 20.94 H new ATOM 0 HD11 ILE A 184 8.896 28.376 35.087 1.00 18.95 H new ATOM 0 HD12 ILE A 184 9.145 29.659 35.981 1.00 18.95 H new ATOM 0 HD13 ILE A 184 8.933 28.246 36.665 1.00 18.95 H new ATOM 1127 N HIS A 185 4.372 30.456 34.916 1.00 24.10 N ATOM 1128 CA HIS A 185 4.141 31.100 33.621 1.00 25.47 C ATOM 1129 C HIS A 185 3.039 32.137 33.699 1.00 27.78 C ATOM 1130 O HIS A 185 2.789 32.859 32.729 1.00 27.99 O ATOM 1131 CB HIS A 185 3.773 30.074 32.572 1.00 23.08 C ATOM 1132 CG HIS A 185 4.856 29.088 32.315 1.00 21.19 C ATOM 1133 ND1 HIS A 185 6.114 29.460 31.901 1.00 19.73 N ATOM 1134 CD2 HIS A 185 4.872 27.739 32.415 1.00 20.10 C ATOM 1135 CE1 HIS A 185 6.857 28.381 31.742 1.00 20.18 C ATOM 1136 NE2 HIS A 185 6.131 27.325 32.047 1.00 19.67 N ATOM 0 H HIS A 185 4.020 29.675 34.991 1.00 24.10 H new ATOM 0 HA HIS A 185 4.969 31.541 33.374 1.00 25.47 H new ATOM 0 HB2 HIS A 185 2.974 29.602 32.855 1.00 23.08 H new ATOM 0 HB3 HIS A 185 3.555 30.530 31.744 1.00 23.08 H new ATOM 0 HD1 HIS A 185 6.375 30.268 31.767 1.00 19.73 H new ATOM 0 HD2 HIS A 185 4.166 27.195 32.682 1.00 20.10 H new ATOM 0 HE1 HIS A 185 7.744 28.368 31.462 1.00 20.18 H new ATOM 1137 N LEU A 186 2.396 32.184 34.833 1.00 30.47 N ATOM 1138 CA LEU A 186 1.355 33.139 35.010 1.00 33.85 C ATOM 1139 C LEU A 186 1.980 34.472 35.287 1.00 36.92 C ATOM 1140 O LEU A 186 3.188 34.639 35.340 1.00 37.35 O ATOM 1141 CB LEU A 186 0.496 32.804 36.253 1.00 32.35 C ATOM 1142 CG LEU A 186 -0.323 31.521 36.300 1.00 31.77 C ATOM 1143 CD1 LEU A 186 -1.112 31.501 37.600 1.00 31.75 C ATOM 1144 CD2 LEU A 186 -1.244 31.466 35.114 1.00 30.61 C ATOM 0 H LEU A 186 2.548 31.674 35.508 1.00 30.47 H new ATOM 0 HA LEU A 186 0.806 33.137 34.210 1.00 33.85 H new ATOM 0 HB2 LEU A 186 1.092 32.792 37.019 1.00 32.35 H new ATOM 0 HB3 LEU A 186 -0.120 33.542 36.384 1.00 32.35 H new ATOM 0 HG LEU A 186 0.258 30.745 36.266 1.00 31.77 H new ATOM 0 HD11 LEU A 186 -1.640 30.689 37.646 1.00 31.75 H new ATOM 0 HD12 LEU A 186 -0.499 31.530 38.351 1.00 31.75 H new ATOM 0 HD13 LEU A 186 -1.701 32.271 37.633 1.00 31.75 H new ATOM 0 HD21 LEU A 186 -1.765 30.648 35.146 1.00 30.61 H new ATOM 0 HD22 LEU A 186 -1.841 32.230 35.132 1.00 30.61 H new ATOM 0 HD23 LEU A 186 -0.721 31.484 34.297 1.00 30.61 H new ATOM 1145 N ARG A 187 1.062 35.450 35.349 1.00 40.51 N ATOM 1146 CA ARG A 187 1.303 36.848 35.688 1.00 44.10 C ATOM 1147 C ARG A 187 -0.042 37.583 35.568 1.00 44.71 C ATOM 1148 O ARG A 187 -0.543 37.783 34.450 1.00 45.99 O ATOM 1149 CB ARG A 187 2.339 37.420 34.718 1.00 46.77 C ATOM 1150 CG ARG A 187 2.798 38.809 35.095 1.00 51.31 C ATOM 1151 CD ARG A 187 3.214 38.967 36.593 1.00 54.22 C ATOM 1152 NE ARG A 187 2.990 40.313 37.185 1.00 57.32 N ATOM 1153 CZ ARG A 187 2.341 41.358 36.633 1.00 59.01 C ATOM 1154 NH1 ARG A 187 1.799 41.312 35.418 1.00 60.31 N ATOM 1155 NH2 ARG A 187 2.189 42.487 37.325 1.00 60.39 N ATOM 0 H ARG A 187 0.232 35.297 35.182 1.00 40.51 H new ATOM 0 HA ARG A 187 1.649 36.950 36.588 1.00 44.10 H new ATOM 0 HB2 ARG A 187 3.107 36.828 34.687 1.00 46.77 H new ATOM 0 HB3 ARG A 187 1.961 37.441 33.825 1.00 46.77 H new ATOM 0 HG2 ARG A 187 3.551 39.052 34.534 1.00 51.31 H new ATOM 0 HG3 ARG A 187 2.085 39.437 34.901 1.00 51.31 H new ATOM 0 HD2 ARG A 187 2.724 38.315 37.118 1.00 54.22 H new ATOM 0 HD3 ARG A 187 4.155 38.748 36.675 1.00 54.22 H new ATOM 0 HE ARG A 187 3.312 40.440 37.972 1.00 57.32 H new ATOM 0 HH11 ARG A 187 1.855 40.593 34.949 1.00 60.31 H new ATOM 0 HH12 ARG A 187 1.393 42.001 35.102 1.00 60.31 H new ATOM 0 HH21 ARG A 187 2.505 42.548 38.123 1.00 60.39 H new ATOM 0 HH22 ARG A 187 1.775 43.154 36.974 1.00 60.39 H new TER 1156 ARG A 187 HETATM 1157 ZN ZN A 201 -1.536 7.039 64.915 1.00 43.71 ZN HETATM 1158 ZN ZN A 202 17.511 4.765 45.401 1.00 26.47 ZN HETATM 1159 ZN ZN A 203 6.755 25.526 31.868 1.00 21.84 ZN HETATM 1160 O HOH B 316 9.713 11.279 45.074 1.00 16.25 O HETATM 1161 O HOH B 318 9.183 8.353 50.729 1.00 20.47 O HETATM 1162 O HOH B 320 9.567 6.088 53.728 1.00 33.39 O HETATM 1163 O HOH B 321 8.369 6.791 56.005 1.00 28.24 O HETATM 1164 O HOH B 322 10.774 8.039 57.091 1.00 44.09 O HETATM 1165 O HOH B 323 8.858 10.424 58.810 1.00 38.81 O HETATM 1166 O HOH B 324 6.189 9.117 58.847 1.00 40.46 O HETATM 1167 O HOH B 327 4.905 5.215 57.369 1.00 42.86 O HETATM 1168 O HOH B 329 1.930 7.080 53.947 1.00 24.64 O HETATM 1169 O HOH B 335 -11.611 1.786 47.450 1.00 37.70 O HETATM 1170 O HOH B 336 -12.913 1.996 41.956 1.00 34.06 O HETATM 1171 O HOH B 337 -13.776 -0.546 41.714 1.00 33.42 O HETATM 1172 O HOH B 338 -12.644 -2.606 40.119 1.00 27.77 O HETATM 1173 O HOH B 339 -11.168 -2.716 37.982 1.00 19.39 O HETATM 1174 O HOH B 340 -9.122 0.983 35.801 1.00 37.22 O HETATM 1175 O HOH B 341 -5.908 1.056 34.997 1.00 55.19 O HETATM 1176 O HOH B 361 16.596 11.376 47.316 1.00 20.76 O HETATM 1177 O HOH B 367 13.037 6.551 52.873 1.00 26.87 O HETATM 1178 O HOH B 369 12.742 12.083 55.810 1.00 34.86 O HETATM 1179 O HOH B 370 10.148 14.552 53.558 1.00 44.10 O HETATM 1180 O HOH B 371 7.490 14.006 55.374 1.00 41.69 O HETATM 1181 O HOH B 376 -7.546 12.034 47.221 1.00 28.97 O HETATM 1182 O HOH B 377 -11.412 13.764 49.489 1.00 34.12 O HETATM 1183 O HOH B 386 6.526 19.297 44.067 1.00 17.85 O HETATM 1184 O HOH B 412 5.345 12.103 45.304 1.00 29.40 O HETATM 1185 O HOH B 414 -10.880 7.474 37.966 1.00 33.51 O HETATM 1186 O HOH C 332 -5.661 -0.713 51.473 1.00 47.85 O HETATM 1187 O HOH C 333 -7.826 0.445 50.210 1.00 34.03 O HETATM 1188 O HOH C 334 -10.366 -1.542 50.592 1.00 42.13 O HETATM 1189 O HOH C 342 -2.862 -0.730 40.838 1.00 37.58 O HETATM 1190 O HOH C 343 -2.933 -3.791 41.759 1.00 34.48 O HETATM 1191 O HOH C 344 1.718 -1.162 46.816 1.00 33.51 O HETATM 1192 O HOH C 347 -4.197 1.344 49.718 1.00 43.47 O HETATM 1193 O HOH C 348 2.769 1.859 43.400 1.00 27.17 O HETATM 1194 O HOH C 350 5.532 -0.783 41.836 1.00 46.40 O HETATM 1195 O HOH C 352 7.633 -1.727 45.060 1.00 38.86 O HETATM 1196 O HOH C 353 5.247 -3.054 45.598 1.00 37.80 O HETATM 1197 O HOH C 372 3.700 16.159 54.350 1.00 53.26 O HETATM 1198 O HOH C 373 0.185 16.825 52.728 1.00 25.32 O HETATM 1199 O HOH C 374 -3.561 15.909 50.079 1.00 32.61 O HETATM 1200 O HOH C 375 -6.208 16.549 48.911 1.00 51.95 O HETATM 1201 O HOH C 380 -2.345 16.459 38.878 1.00 34.75 O HETATM 1202 O HOH C 381 0.644 18.848 44.750 1.00 35.16 O HETATM 1203 O HOH C 382 -1.064 20.978 45.530 1.00 22.15 O HETATM 1204 O HOH C 385 4.705 20.645 45.663 1.00 23.94 O HETATM 1205 O HOH C 387 6.401 22.393 47.391 1.00 24.62 O HETATM 1206 O HOH C 388 7.787 24.892 50.366 1.00 30.49 O HETATM 1207 O HOH A 301 7.686 15.491 25.931 1.00 37.96 O HETATM 1208 O HOH A 302 5.410 14.471 27.113 1.00 36.81 O HETATM 1209 O HOH A 303 4.139 14.843 29.752 1.00 28.39 O HETATM 1210 O HOH A 304 3.536 11.378 31.669 1.00 49.79 O HETATM 1211 O HOH A 305 8.562 13.661 29.577 1.00 37.97 O HETATM 1212 O HOH A 306 12.522 11.013 30.585 1.00 39.14 O HETATM 1213 O HOH A 307 16.150 8.518 31.245 1.00 25.94 O HETATM 1214 O HOH A 308 16.491 13.642 33.026 1.00 34.04 O HETATM 1215 O HOH A 309 14.795 16.604 30.571 1.00 43.51 O HETATM 1216 O HOH A 310 12.937 19.219 30.183 1.00 15.23 O HETATM 1217 O HOH A 311 14.170 21.685 30.498 1.00 46.91 O HETATM 1218 O HOH A 312 13.758 19.226 33.019 1.00 54.03 O HETATM 1219 O HOH A 313 11.791 16.467 38.265 1.00 14.11 O HETATM 1220 O HOH A 314 11.894 14.393 42.022 1.00 18.68 O HETATM 1221 O HOH A 315 10.877 12.009 42.594 1.00 26.08 O HETATM 1222 O HOH A 317 10.072 8.768 47.849 1.00 21.48 O HETATM 1223 O HOH A 319 7.546 6.060 51.239 1.00 14.00 O HETATM 1224 O HOH A 325 7.756 6.443 60.075 1.00 54.02 O HETATM 1225 O HOH A 326 6.957 3.443 57.876 1.00 43.87 O HETATM 1226 O HOH A 328 2.985 4.867 55.583 1.00 33.02 O HETATM 1227 O HOH A 330 -3.122 7.009 55.613 1.00 30.96 O HETATM 1228 O HOH A 331 -3.724 0.793 53.718 1.00 45.63 O HETATM 1229 O HOH A 345 2.792 0.870 49.376 1.00 25.29 O HETATM 1230 O HOH A 346 0.476 2.236 50.207 1.00 31.06 O HETATM 1231 O HOH A 349 4.147 3.396 41.539 1.00 24.23 O HETATM 1232 O HOH A 351 7.306 0.731 43.695 1.00 37.40 O HETATM 1233 O HOH A 354 8.986 1.297 40.680 1.00 41.50 O HETATM 1234 O HOH A 355 10.610 4.695 38.620 1.00 30.83 O HETATM 1235 O HOH A 356 8.598 5.086 36.264 1.00 30.13 O HETATM 1236 O HOH A 357 12.693 5.388 36.284 1.00 30.21 O HETATM 1237 O HOH A 358 14.376 12.264 37.209 1.00 27.31 O HETATM 1238 O HOH A 359 18.207 12.557 38.375 1.00 67.11 O HETATM 1239 O HOH A 360 18.480 10.096 44.525 1.00 37.11 O HETATM 1240 O HOH A 362 17.613 9.440 49.115 1.00 35.94 O HETATM 1241 O HOH A 363 19.260 7.569 47.658 1.00 35.99 O HETATM 1242 O HOH A 364 20.555 3.049 51.473 1.00 35.96 O HETATM 1243 O HOH A 365 19.406 -0.671 53.237 1.00 27.89 O HETATM 1244 O HOH A 366 17.044 3.675 54.239 1.00 41.56 O HETATM 1245 O HOH A 368 15.049 12.091 54.042 1.00 30.44 O HETATM 1246 O HOH A 378 -0.835 17.547 42.903 1.00 25.08 O HETATM 1247 O HOH A 379 -0.104 16.174 40.766 1.00 30.87 O HETATM 1248 O HOH A 383 2.442 20.752 43.387 1.00 23.15 O HETATM 1249 O HOH A 384 1.715 23.420 43.251 1.00 25.04 O HETATM 1250 O HOH A 389 8.224 22.334 40.237 1.00 19.46 O HETATM 1251 O HOH A 390 10.623 21.061 40.644 1.00 25.49 O HETATM 1252 O HOH A 391 11.532 26.441 34.060 1.00 27.14 O HETATM 1253 O HOH A 392 11.102 26.254 31.156 1.00 41.00 O HETATM 1254 O HOH A 393 10.122 29.392 30.925 1.00 35.18 O HETATM 1255 O HOH A 394 8.835 28.178 26.774 1.00 40.08 O HETATM 1256 O HOH A 395 6.533 27.914 24.914 1.00 39.60 O HETATM 1257 O HOH A 396 6.931 32.058 31.496 1.00 22.67 O HETATM 1258 O HOH A 397 6.257 33.979 33.196 1.00 29.65 O HETATM 1259 O HOH A 398 5.194 34.199 37.840 1.00 39.94 O HETATM 1260 O HOH A 399 3.163 32.531 39.184 1.00 28.38 O HETATM 1261 O HOH A 400 1.198 33.992 40.749 1.00 42.11 O HETATM 1262 O HOH A 401 0.668 35.780 38.703 1.00 41.17 O HETATM 1263 O HOH A 402 1.470 35.028 31.536 1.00 25.14 O HETATM 1264 O HOH A 403 1.546 21.942 32.158 1.00 24.16 O HETATM 1265 O HOH A 404 3.044 19.281 28.182 1.00 23.98 O HETATM 1266 O HOH A 405 4.949 19.623 26.305 1.00 30.85 O HETATM 1267 O HOH A 406 8.976 18.497 26.459 1.00 35.67 O HETATM 1268 O HOH A 407 4.115 11.955 39.680 1.00 20.85 O HETATM 1269 O HOH A 408 4.323 9.195 39.024 1.00 23.42 O HETATM 1270 O HOH A 409 2.526 8.548 42.003 1.00 21.88 O HETATM 1271 O HOH A 410 2.630 8.866 44.835 1.00 29.35 O HETATM 1272 O HOH A 411 5.562 9.420 45.017 1.00 19.18 O HETATM 1273 O HOH A 413 3.266 13.303 43.764 1.00 26.07 O HETATM 1274 O HOH A 415 -13.618 -1.276 56.369 1.00 47.22 O HETATM 1275 O HOH A 416 -7.090 -1.094 59.387 1.00 40.82 O HETATM 1276 O HOH A 417 3.550 -2.233 59.730 1.00 33.89 O HETATM 1277 O HOH A 418 12.724 -2.617 52.374 1.00 33.17 O HETATM 1278 O HOH A 419 12.423 -4.746 50.459 1.00 40.01 O HETATM 1279 O HOH A 420 16.925 -6.580 43.198 1.00 34.09 O HETATM 1280 O HOH A 421 20.663 -3.306 42.177 1.00 28.77 O CONECT 488 1157 CONECT 523 1157 CONECT 636 1157 CONECT 673 1157 CONECT 735 1158 CONECT 760 1158 CONECT 871 1158 CONECT 907 1158 CONECT 965 1159 CONECT 987 1159 CONECT 1102 1159 CONECT 1136 1159 CONECT 1157 488 523 636 673 CONECT 1158 735 760 871 907 CONECT 1159 965 987 1102 1136 END