Browse entries in the PDBbind-CN Database
HEADER TRANSCRIPTION/DNA 27-JUL-16 5L0M TITLE HLRH-1 DNA BINDING DOMAIN - 12BP OCT4 PROMOTER COMPLEX COMPND MOL_ID: 1; COMPND 2 MOLECULE: NUCLEAR RECEPTOR SUBFAMILY 5 GROUP A MEMBER 2; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: UNP RESIDUES 79-187; COMPND 5 SYNONYM: ALPHA-1-FETOPROTEIN TRANSCRIPTION FACTOR,B1-BINDING FACTOR, COMPND 6 HB1F,CYP7A PROMOTER-BINDING FACTOR,HEPATOCYTIC TRANSCRIPTION FACTOR, COMPND 7 LIVER RECEPTOR HOMOLOG 1,LRH-1; COMPND 8 ENGINEERED: YES; COMPND 9 MOL_ID: 2; COMPND 10 MOLECULE: DNA (5'-D(*CP*TP*AP*GP*CP*CP*TP*TP*GP*AP*CP*C)-3'); COMPND 11 CHAIN: C; COMPND 12 ENGINEERED: YES; COMPND 13 MOL_ID: 3; COMPND 14 MOLECULE: DNA (5'-D(*GP*GP*TP*CP*AP*AP*GP*GP*CP*TP*AP*G)-3'); COMPND 15 CHAIN: B; COMPND 16 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: NR5A2, B1F, CPF, FTF; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21 DE3 PLYSS; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PMALCH10T; SOURCE 11 MOL_ID: 2; SOURCE 12 SYNTHETIC: YES; SOURCE 13 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 14 ORGANISM_TAXID: 10090; SOURCE 15 MOL_ID: 3; SOURCE 16 SYNTHETIC: YES; SOURCE 17 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 18 ORGANISM_TAXID: 10090 KEYWDS LRH-1, NUCLEAR RECEPTOR, OCT4, DBD, TRANSCRIPTION-DNA COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR M.L.TUNTLAND,E.A.ORTLUND REVDAT 5 25-DEC-19 5L0M 1 REMARK REVDAT 4 20-SEP-17 5L0M 1 REMARK REVDAT 3 05-APR-17 5L0M 1 JRNL REVDAT 2 04-JAN-17 5L0M 1 JRNL REVDAT 1 09-NOV-16 5L0M 0 JRNL AUTH E.R.WEIKUM,M.L.TUNTLAND,M.N.MURPHY,E.A.ORTLUND JRNL TITL A STRUCTURAL INVESTIGATION INTO OCT4 REGULATION BY ORPHAN JRNL TITL 2 NUCLEAR RECEPTORS, GERM CELL NUCLEAR FACTOR (GCNF), AND JRNL TITL 3 LIVER RECEPTOR HOMOLOG-1 (LRH-1). JRNL REF J. MOL. BIOL. V. 428 4981 2016 JRNL REFN ESSN 1089-8638 JRNL PMID 27984042 JRNL DOI 10.1016/J.JMB.2016.10.025 REMARK 2 REMARK 2 RESOLUTION. 2.20 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX 1.8.4_1496 REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE, REMARK 3 : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER, REMARK 3 : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY, REMARK 3 : REETAL PAI,RANDY READ,JANE RICHARDSON, REMARK 3 : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI, REMARK 3 : NICHOLAS SAUTER,JACOB SMITH,LAURENT REMARK 3 : STORONI,TOM TERWILLIGER,PETER ZWART REMARK 3 REMARK 3 REFINEMENT TARGET : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.20 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 28.94 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.380 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.4 REMARK 3 NUMBER OF REFLECTIONS : 8789 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.158 REMARK 3 R VALUE (WORKING SET) : 0.154 REMARK 3 FREE R VALUE : 0.197 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 9.890 REMARK 3 FREE R VALUE TEST SET COUNT : 869 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS). REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE REMARK 3 1 28.9451 - 3.9886 1.00 1337 152 0.1384 0.1696 REMARK 3 2 3.9886 - 3.1672 0.99 1301 145 0.1428 0.1986 REMARK 3 3 3.1672 - 2.7672 1.00 1326 142 0.1763 0.2248 REMARK 3 4 2.7672 - 2.5143 1.00 1333 139 0.1802 0.2574 REMARK 3 5 2.5143 - 2.3342 1.00 1327 146 0.1886 0.2189 REMARK 3 6 2.3342 - 2.1966 0.98 1296 145 0.2042 0.2547 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : NULL REMARK 3 SOLVENT RADIUS : 1.11 REMARK 3 SHRINKAGE RADIUS : 0.90 REMARK 3 K_SOL : NULL REMARK 3 B_SOL : NULL REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.220 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 22.420 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 TWINNING INFORMATION. REMARK 3 FRACTION: NULL REMARK 3 OPERATOR: NULL REMARK 3 REMARK 3 DEVIATIONS FROM IDEAL VALUES. REMARK 3 RMSD COUNT REMARK 3 BOND : 0.016 1339 REMARK 3 ANGLE : 1.651 1891 REMARK 3 CHIRALITY : 0.069 199 REMARK 3 PLANARITY : 0.009 162 REMARK 3 DIHEDRAL : 26.204 552 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 NCS DETAILS REMARK 3 NUMBER OF NCS GROUPS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 5L0M COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 28-JUL-16. REMARK 100 THE DEPOSITION ID IS D_1000222994. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 19-NOV-15 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : APS REMARK 200 BEAMLINE : 22-ID REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.00 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : RAYONIX MX300-HS REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 8862 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.200 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.8 REMARK 200 DATA REDUNDANCY : 7.200 REMARK 200 R MERGE (I) : 0.09500 REMARK 200 R SYM (I) : NULL REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 24.3000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: 2A66 REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 42.76 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.15 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.2 M CALCIUM ACETATE AND 20% (W/V) REMARK 280 PEG 3350, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 43 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 -Y,X,Z+3/4 REMARK 290 4555 Y,-X,Z+1/4 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 52.52750 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 78.79125 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 26.26375 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 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 3940 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 8770 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -12.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, C, B 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 GLY A 76 REMARK 465 GLU A 77 REMARK 465 PHE A 78 REMARK 465 ASP A 79 REMARK 465 GLU A 80 REMARK 465 ASP A 81 REMARK 465 LEU A 82 REMARK 465 LYS A 179 REMARK 465 GLN A 180 REMARK 465 GLN A 181 REMARK 465 LYS A 182 REMARK 465 LYS A 183 REMARK 465 ALA A 184 REMARK 465 LEU A 185 REMARK 465 ILE A 186 REMARK 465 ARG A 187 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 OP2 DT C 90 O HOH C 301 2.16 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS 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,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) 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 RES CSSEQI ATM2 DEVIATION REMARK 500 DC B 110 O3' DC B 110 C3' -0.064 REMARK 500 DA B 111 O3' DA B 111 C3' -0.067 REMARK 500 DA B 112 O3' DA B 112 C3' -0.043 REMARK 500 DG B 114 O3' DG B 114 C3' -0.038 REMARK 500 DT B 116 O3' DT B 116 C3' -0.054 REMARK 500 REMARK 500 REMARK: NULL 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 DA B 111 O5' - P - OP1 ANGL. DEV. = -7.8 DEGREES REMARK 500 DA B 111 O5' - P - OP2 ANGL. DEV. = 13.1 DEGREES REMARK 500 DA B 111 O4' - C1' - N9 ANGL. DEV. = 3.4 DEGREES REMARK 500 DA B 117 O5' - P - OP2 ANGL. DEV. = 7.4 DEGREES REMARK 500 DG B 118 O4' - C1' - N9 ANGL. DEV. = 2.0 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 GLU A 124 -123.28 -94.41 REMARK 500 ASN A 127 49.34 -148.44 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 202 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 86 SG REMARK 620 2 CYS A 89 SG 114.9 REMARK 620 3 CYS A 103 SG 112.1 104.4 REMARK 620 4 CYS A 106 SG 108.6 111.7 104.6 REMARK 620 N 1 2 3 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 122 SG REMARK 620 2 CYS A 128 SG 100.9 REMARK 620 3 CYS A 138 SG 109.2 116.7 REMARK 620 4 CYS A 141 SG 111.0 107.3 111.3 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue ZN A 201 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue ZN A 202 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue GOL C 201 DBREF 5L0M A 79 187 UNP O00482 NR5A2_HUMAN 79 187 DBREF 5L0M C 89 100 PDB 5L0M 5L0M 89 100 DBREF 5L0M B 107 118 PDB 5L0M 5L0M 107 118 SEQADV 5L0M GLY A 76 UNP O00482 EXPRESSION TAG SEQADV 5L0M GLU A 77 UNP O00482 EXPRESSION TAG SEQADV 5L0M PHE A 78 UNP O00482 EXPRESSION TAG SEQRES 1 A 112 GLY GLU PHE ASP GLU ASP LEU GLU GLU LEU CYS PRO VAL SEQRES 2 A 112 CYS GLY ASP LYS VAL SER GLY TYR HIS TYR GLY LEU LEU SEQRES 3 A 112 THR CYS GLU SER CYS LYS GLY PHE PHE LYS ARG THR VAL SEQRES 4 A 112 GLN ASN ASN LYS ARG TYR THR CYS ILE GLU ASN GLN ASN SEQRES 5 A 112 CYS GLN ILE ASP LYS THR GLN ARG LYS ARG CYS PRO TYR SEQRES 6 A 112 CYS ARG PHE GLN LYS CYS LEU SER VAL GLY MET LYS LEU SEQRES 7 A 112 GLU ALA VAL ARG ALA ASP ARG MET ARG GLY GLY ARG ASN SEQRES 8 A 112 LYS PHE GLY PRO MET TYR LYS ARG ASP ARG ALA LEU LYS SEQRES 9 A 112 GLN GLN LYS LYS ALA LEU ILE ARG SEQRES 1 C 12 DC DT DA DG DC DC DT DT DG DA DC DC SEQRES 1 B 12 DG DG DT DC DA DA DG DG DC DT DA DG HET ZN A 201 1 HET ZN A 202 1 HET GOL C 201 14 HETNAM ZN ZINC ION HETNAM GOL GLYCEROL HETSYN GOL GLYCERIN; PROPANE-1,2,3-TRIOL FORMUL 4 ZN 2(ZN 2+) FORMUL 6 GOL C3 H8 O3 FORMUL 7 HOH *50(H2 O) HELIX 1 AA1 CYS A 103 ASN A 116 1 14 HELIX 2 AA2 CYS A 138 VAL A 149 1 12 HELIX 3 AA3 LYS A 152 VAL A 156 5 5 HELIX 4 AA4 PRO A 170 ARG A 176 1 7 SHEET 1 AA1 2 GLY A 95 HIS A 97 0 SHEET 2 AA1 2 LEU A 100 THR A 102 -1 O LEU A 100 N HIS A 97 LINK SG CYS A 86 ZN ZN A 202 1555 1555 2.31 LINK SG CYS A 89 ZN ZN A 202 1555 1555 2.37 LINK SG CYS A 103 ZN ZN A 202 1555 1555 2.30 LINK SG CYS A 106 ZN ZN A 202 1555 1555 2.41 LINK SG CYS A 122 ZN ZN A 201 1555 1555 2.43 LINK SG CYS A 128 ZN ZN A 201 1555 1555 2.40 LINK SG CYS A 138 ZN ZN A 201 1555 1555 2.29 LINK SG CYS A 141 ZN ZN A 201 1555 1555 2.29 SITE 1 AC1 4 CYS A 122 CYS A 128 CYS A 138 CYS A 141 SITE 1 AC2 4 CYS A 86 CYS A 89 CYS A 103 CYS A 106 SITE 1 AC3 3 DT B 116 DA B 117 DG C 92 CRYST1 40.931 40.931 105.055 90.00 90.00 90.00 P 43 4 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 0.024431 0.000000 0.000000 0.00000 SCALE2 0.000000 0.024431 0.000000 0.00000 SCALE3 0.000000 0.000000 0.009519 0.00000 ATOM 1 N GLU A 83 63.500 30.045 -14.350 1.00 65.98 N ATOM 2 CA GLU A 83 63.403 28.903 -15.261 1.00 66.14 C ATOM 3 C GLU A 83 62.111 28.126 -14.953 1.00 66.09 C ATOM 4 O GLU A 83 61.566 28.125 -13.836 1.00 54.43 O ATOM 5 CB GLU A 83 64.631 28.002 -15.149 1.00 60.01 C ATOM 6 CG GLU A 83 64.714 26.870 -16.157 1.00 66.47 C ATOM 7 CD GLU A 83 65.932 26.939 -17.103 1.00 80.91 C ATOM 8 OE1 GLU A 83 66.442 25.850 -17.470 1.00 78.48 O ATOM 9 OE2 GLU A 83 66.354 28.055 -17.517 1.00 79.06 O ATOM 10 HA GLU A 83 63.349 29.229 -16.173 1.00 79.37 H ATOM 11 HB2 GLU A 83 65.423 28.550 -15.264 1.00 72.01 H ATOM 12 HB3 GLU A 83 64.639 27.604 -14.265 1.00 72.01 H ATOM 13 HG2 GLU A 83 64.763 26.029 -15.676 1.00 79.76 H ATOM 14 HG3 GLU A 83 63.914 26.885 -16.706 1.00 79.76 H ATOM 15 N GLU A 84 61.621 27.464 -15.977 1.00 59.99 N ATOM 16 CA GLU A 84 60.316 26.867 -15.923 1.00 59.54 C ATOM 17 C GLU A 84 60.419 25.544 -15.232 1.00 53.45 C ATOM 18 O GLU A 84 59.402 24.880 -15.079 1.00 50.34 O ATOM 19 CB GLU A 84 59.708 26.714 -17.332 1.00 64.10 C ATOM 20 CG GLU A 84 60.703 26.512 -18.504 1.00 72.10 C ATOM 21 CD GLU A 84 61.503 27.785 -18.907 1.00 76.96 C ATOM 22 OE1 GLU A 84 62.551 28.037 -18.271 1.00 73.56 O ATOM 23 OE2 GLU A 84 61.106 28.512 -19.859 1.00 85.78 O1- ATOM 24 H GLU A 84 62.032 27.347 -16.724 1.00 71.99 H ATOM 25 HA GLU A 84 59.728 27.435 -15.401 1.00 71.45 H ATOM 26 HB2 GLU A 84 59.115 25.946 -17.324 1.00 76.92 H ATOM 27 HB3 GLU A 84 59.194 27.513 -17.528 1.00 76.92 H ATOM 28 HG2 GLU A 84 61.345 25.830 -18.251 1.00 86.52 H ATOM 29 HG3 GLU A 84 60.207 26.218 -19.284 1.00 86.52 H ATOM 30 N LEU A 85 61.627 25.174 -14.783 1.00 52.45 N ATOM 31 CA LEU A 85 61.854 23.828 -14.227 1.00 51.19 C ATOM 32 C LEU A 85 62.026 23.781 -12.700 1.00 53.79 C ATOM 33 O LEU A 85 62.891 24.465 -12.155 1.00 51.64 O ATOM 34 CB LEU A 85 63.087 23.195 -14.866 1.00 51.39 C ATOM 35 CG LEU A 85 62.861 22.242 -16.047 1.00 56.09 C ATOM 36 CD1 LEU A 85 62.213 23.008 -17.164 1.00 62.94 C ATOM 37 CD2 LEU A 85 64.157 21.636 -16.524 1.00 65.56 C ATOM 38 H LEU A 85 62.325 25.677 -14.788 1.00 62.94 H ATOM 39 HA LEU A 85 61.091 23.272 -14.451 1.00 61.42 H ATOM 40 HB2 LEU A 85 63.661 23.910 -15.183 1.00 61.67 H ATOM 41 HB3 LEU A 85 63.555 22.692 -14.181 1.00 61.67 H ATOM 42 HG LEU A 85 62.265 21.526 -15.778 1.00 67.31 H ATOM 43 HD11 LEU A 85 62.068 22.410 -17.913 1.00 75.53 H ATOM 44 HD12 LEU A 85 61.365 23.362 -16.853 1.00 75.53 H ATOM 45 HD13 LEU A 85 62.799 23.735 -17.429 1.00 75.53 H ATOM 46 HD21 LEU A 85 63.973 21.043 -17.269 1.00 78.67 H ATOM 47 HD22 LEU A 85 64.753 22.348 -16.807 1.00 78.67 H ATOM 48 HD23 LEU A 85 64.560 21.139 -15.795 1.00 78.67 H ATOM 49 N CYS A 86 61.203 22.949 -12.044 1.00 51.08 N ATOM 50 CA CYS A 86 61.337 22.631 -10.616 1.00 47.40 C ATOM 51 C CYS A 86 62.756 22.233 -10.264 1.00 45.06 C ATOM 52 O CYS A 86 63.260 21.274 -10.818 1.00 46.03 O ATOM 53 CB CYS A 86 60.405 21.472 -10.210 1.00 44.82 C ATOM 54 SG CYS A 86 60.335 21.221 -8.401 1.00 41.01 S ATOM 55 H CYS A 86 60.540 22.548 -12.418 1.00 61.29 H ATOM 56 HA CYS A 86 61.101 23.411 -10.091 1.00 56.87 H ATOM 57 HB2 CYS A 86 59.506 21.666 -10.520 1.00 53.79 H ATOM 58 HB3 CYS A 86 60.726 20.651 -10.614 1.00 53.79 H ATOM 59 N PRO A 87 63.386 22.933 -9.307 1.00 42.32 N ATOM 60 CA PRO A 87 64.749 22.571 -8.913 1.00 49.23 C ATOM 61 C PRO A 87 64.817 21.234 -8.183 1.00 47.65 C ATOM 62 O PRO A 87 65.920 20.698 -8.025 1.00 50.58 O ATOM 63 CB PRO A 87 65.179 23.732 -7.971 1.00 48.52 C ATOM 64 CG PRO A 87 63.923 24.312 -7.477 1.00 49.58 C ATOM 65 CD PRO A 87 62.923 24.144 -8.603 1.00 48.10 C ATOM 66 HA PRO A 87 65.333 22.549 -9.687 1.00 59.08 H ATOM 67 HB2 PRO A 87 65.706 23.379 -7.236 1.00 58.22 H ATOM 68 HB3 PRO A 87 65.687 24.389 -8.472 1.00 58.22 H ATOM 69 HG2 PRO A 87 63.631 23.831 -6.687 1.00 59.49 H ATOM 70 HG3 PRO A 87 64.056 25.251 -7.276 1.00 59.49 H ATOM 71 HD2 PRO A 87 62.032 24.006 -8.245 1.00 57.71 H ATOM 72 HD3 PRO A 87 62.952 24.911 -9.197 1.00 57.71 H ATOM 73 N VAL A 88 63.680 20.706 -7.734 1.00 44.21 N ATOM 74 CA VAL A 88 63.689 19.440 -7.017 1.00 48.32 C ATOM 75 C VAL A 88 63.558 18.302 -8.022 1.00 45.19 C ATOM 76 O VAL A 88 64.342 17.382 -7.980 1.00 45.65 O ATOM 77 CB VAL A 88 62.575 19.349 -5.947 1.00 48.76 C ATOM 78 CG1 VAL A 88 62.566 17.967 -5.264 1.00 50.19 C ATOM 79 CG2 VAL A 88 62.787 20.381 -4.880 1.00 52.49 C ATOM 80 H VAL A 88 62.901 21.058 -7.830 1.00 53.05 H ATOM 81 HA VAL A 88 64.542 19.342 -6.566 1.00 57.99 H ATOM 82 HB VAL A 88 61.710 19.499 -6.359 1.00 58.51 H ATOM 83 HG11 VAL A 88 61.857 17.947 -4.602 1.00 60.23 H ATOM 84 HG12 VAL A 88 62.412 17.284 -5.935 1.00 60.23 H ATOM 85 HG13 VAL A 88 63.424 17.821 -4.835 1.00 60.23 H ATOM 86 HG21 VAL A 88 62.079 20.305 -4.222 1.00 62.99 H ATOM 87 HG22 VAL A 88 63.648 20.227 -4.459 1.00 62.99 H ATOM 88 HG23 VAL A 88 62.770 21.262 -5.285 1.00 62.99 H ATOM 89 N CYS A 89 62.591 18.379 -8.936 1.00 49.67 N ATOM 90 CA CYS A 89 62.253 17.226 -9.784 1.00 46.80 C ATOM 91 C CYS A 89 62.202 17.475 -11.302 1.00 49.80 C ATOM 92 O CYS A 89 62.065 16.515 -12.086 1.00 45.47 O ATOM 93 CB CYS A 89 60.906 16.660 -9.355 1.00 45.20 C ATOM 94 SG CYS A 89 59.495 17.650 -9.849 1.00 45.29 S ATOM 95 H CYS A 89 62.116 19.080 -9.088 1.00 59.60 H ATOM 96 HA CYS A 89 62.918 16.536 -9.630 1.00 56.16 H ATOM 97 HB2 CYS A 89 60.800 15.779 -9.748 1.00 54.24 H ATOM 98 HB3 CYS A 89 60.893 16.590 -8.388 1.00 54.24 H ATOM 99 N GLY A 90 62.292 18.741 -11.710 1.00 45.71 N ATOM 100 CA GLY A 90 62.268 19.094 -13.119 1.00 50.54 C ATOM 101 C GLY A 90 60.872 19.284 -13.699 1.00 48.64 C ATOM 102 O GLY A 90 60.718 19.585 -14.879 1.00 52.12 O ATOM 103 H GLY A 90 62.369 19.415 -11.182 1.00 54.85 H ATOM 104 HA2 GLY A 90 62.761 19.920 -13.246 1.00 60.65 H ATOM 105 HA3 GLY A 90 62.712 18.397 -13.627 1.00 60.65 H ATOM 106 N ASP A 91 59.838 19.148 -12.888 1.00 47.22 N ATOM 107 CA ASP A 91 58.482 19.317 -13.400 1.00 44.78 C ATOM 108 C ASP A 91 58.208 20.837 -13.637 1.00 49.08 C ATOM 109 O ASP A 91 59.001 21.727 -13.252 1.00 43.89 O ATOM 110 CB ASP A 91 57.460 18.671 -12.429 1.00 47.60 C ATOM 111 CG ASP A 91 56.096 18.394 -13.073 1.00 49.10 C ATOM 112 OD1 ASP A 91 55.923 18.624 -14.292 1.00 48.18 O ATOM 113 OD2 ASP A 91 55.178 17.927 -12.346 1.00 49.33 O1- ATOM 114 H ASP A 91 59.888 18.961 -12.050 1.00 56.66 H ATOM 115 HA ASP A 91 58.409 18.863 -14.255 1.00 53.74 H ATOM 116 HB2 ASP A 91 57.818 17.826 -12.114 1.00 57.12 H ATOM 117 HB3 ASP A 91 57.319 19.270 -11.678 1.00 57.12 H ATOM 118 N LYS A 92 57.097 21.115 -14.307 1.00 50.50 N ATOM 119 CA LYS A 92 56.703 22.481 -14.603 1.00 52.70 C ATOM 120 C LYS A 92 56.454 23.273 -13.335 1.00 47.53 C ATOM 121 O LYS A 92 55.669 22.881 -12.481 1.00 46.42 O ATOM 122 CB LYS A 92 55.452 22.483 -15.468 1.00 54.26 C ATOM 123 CG LYS A 92 55.023 23.875 -15.923 1.00 52.05 C ATOM 124 CD LYS A 92 53.533 23.910 -16.313 1.00 70.66 C ATOM 125 CE LYS A 92 52.583 23.494 -15.160 1.00 73.17 C ATOM 126 NZ LYS A 92 51.144 23.505 -15.553 1.00 76.99 N1+ ATOM 127 H LYS A 92 56.549 20.522 -14.603 1.00 60.60 H ATOM 128 HA LYS A 92 57.414 22.917 -15.098 1.00 63.24 H ATOM 129 HB2 LYS A 92 55.620 21.950 -16.261 1.00 65.11 H ATOM 130 HB3 LYS A 92 54.721 22.097 -14.961 1.00 65.11 H ATOM 131 HG2 LYS A 92 55.161 24.505 -15.198 1.00 62.46 H ATOM 132 HG3 LYS A 92 55.546 24.135 -16.697 1.00 62.46 H ATOM 133 HD2 LYS A 92 53.299 24.812 -16.580 1.00 84.79 H ATOM 134 HD3 LYS A 92 53.388 23.299 -17.053 1.00 84.79 H ATOM 135 HE2 LYS A 92 52.808 22.594 -14.876 1.00 87.80 H ATOM 136 HE3 LYS A 92 52.696 24.112 -14.421 1.00 87.80 H ATOM 137 HZ1 LYS A 92 50.639 23.261 -14.862 1.00 92.39 H ATOM 138 HZ2 LYS A 92 50.906 24.323 -15.811 1.00 92.39 H ATOM 139 HZ3 LYS A 92 51.008 22.938 -16.225 1.00 92.39 H ATOM 140 N VAL A 93 57.140 24.394 -13.213 1.00 43.76 N ATOM 141 CA VAL A 93 57.033 25.232 -12.036 1.00 44.41 C ATOM 142 C VAL A 93 55.629 25.831 -12.022 1.00 43.85 C ATOM 143 O VAL A 93 55.104 26.144 -13.094 1.00 50.13 O ATOM 144 CB VAL A 93 58.161 26.279 -12.095 1.00 53.72 C ATOM 145 CG1 VAL A 93 57.812 27.553 -11.392 1.00 54.96 C ATOM 146 CG2 VAL A 93 59.502 25.652 -11.602 1.00 50.48 C ATOM 147 H VAL A 93 57.683 24.696 -13.807 1.00 52.52 H ATOM 148 HA VAL A 93 57.150 24.693 -11.238 1.00 53.29 H ATOM 149 HB VAL A 93 58.293 26.509 -13.028 1.00 64.46 H ATOM 150 HG11 VAL A 93 58.558 28.168 -11.465 1.00 65.95 H ATOM 151 HG12 VAL A 93 57.024 27.937 -11.808 1.00 65.95 H ATOM 152 HG13 VAL A 93 57.632 27.359 -10.459 1.00 65.95 H ATOM 153 HG21 VAL A 93 60.199 26.324 -11.646 1.00 60.57 H ATOM 154 HG22 VAL A 93 59.391 25.349 -10.687 1.00 60.57 H ATOM 155 HG23 VAL A 93 59.728 24.901 -12.173 1.00 60.57 H ATOM 156 N SER A 94 54.983 25.943 -10.857 1.00 46.10 N ATOM 157 CA SER A 94 53.640 26.564 -10.802 1.00 46.48 C ATOM 158 C SER A 94 53.584 27.949 -10.120 1.00 39.98 C ATOM 159 O SER A 94 52.531 28.583 -10.120 1.00 43.37 O ATOM 160 CB SER A 94 52.638 25.635 -10.103 1.00 44.91 C ATOM 161 OG SER A 94 52.785 25.701 -8.698 1.00 49.80 O ATOM 162 H SER A 94 55.286 25.677 -10.098 1.00 55.32 H ATOM 163 HA SER A 94 53.329 26.684 -11.713 1.00 55.77 H ATOM 164 HB2 SER A 94 51.738 25.908 -10.339 1.00 53.89 H ATOM 165 HB3 SER A 94 52.796 24.724 -10.394 1.00 53.89 H ATOM 166 HG SER A 94 52.232 25.189 -8.327 1.00 59.76 H ATOM 167 N GLY A 95 54.705 28.405 -9.564 1.00 49.20 N ATOM 168 CA GLY A 95 54.802 29.668 -8.836 1.00 45.05 C ATOM 169 C GLY A 95 55.921 29.605 -7.792 1.00 47.94 C ATOM 170 O GLY A 95 56.619 28.608 -7.707 1.00 44.48 O ATOM 171 H GLY A 95 55.453 27.981 -9.597 1.00 59.04 H ATOM 172 HA2 GLY A 95 54.990 30.391 -9.454 1.00 54.06 H ATOM 173 HA3 GLY A 95 53.963 29.853 -8.384 1.00 54.06 H ATOM 174 N TYR A 96 56.104 30.668 -7.019 1.00 44.09 N ATOM 175 CA TYR A 96 56.896 30.620 -5.788 1.00 49.44 C ATOM 176 C TYR A 96 56.167 29.828 -4.727 1.00 49.72 C ATOM 177 O TYR A 96 54.989 30.064 -4.450 1.00 43.17 O ATOM 178 CB TYR A 96 57.216 32.035 -5.264 1.00 51.73 C ATOM 179 CG TYR A 96 58.165 32.735 -6.218 1.00 48.54 C ATOM 180 CD1 TYR A 96 59.523 32.444 -6.220 1.00 53.12 C ATOM 181 CD2 TYR A 96 57.689 33.620 -7.166 1.00 58.04 C ATOM 182 CE1 TYR A 96 60.383 33.049 -7.139 1.00 58.06 C ATOM 183 CE2 TYR A 96 58.545 34.230 -8.087 1.00 61.63 C ATOM 184 CZ TYR A 96 59.881 33.936 -8.068 1.00 58.90 C ATOM 185 OH TYR A 96 60.717 34.552 -8.968 1.00 73.99 O ATOM 186 H TYR A 96 55.775 31.445 -7.186 1.00 52.91 H ATOM 187 HA TYR A 96 57.736 30.171 -5.971 1.00 59.33 H ATOM 188 HB2 TYR A 96 56.399 32.553 -5.205 1.00 62.08 H ATOM 189 HB3 TYR A 96 57.643 31.972 -4.395 1.00 62.08 H ATOM 190 HD1 TYR A 96 59.863 31.837 -5.603 1.00 63.74 H ATOM 191 HD2 TYR A 96 56.780 33.814 -7.192 1.00 69.65 H ATOM 192 HE1 TYR A 96 61.292 32.855 -7.123 1.00 69.67 H ATOM 193 HE2 TYR A 96 58.208 34.832 -8.711 1.00 73.95 H ATOM 194 HH TYR A 96 60.275 35.062 -9.469 1.00 88.79 H ATOM 195 N HIS A 97 56.871 28.865 -4.168 1.00 44.24 N ATOM 196 CA HIS A 97 56.349 28.102 -3.057 1.00 45.35 C ATOM 197 C HIS A 97 57.434 27.942 -2.018 1.00 42.23 C ATOM 198 O HIS A 97 58.438 27.340 -2.317 1.00 43.08 O ATOM 199 CB HIS A 97 55.864 26.733 -3.539 1.00 39.11 C ATOM 200 CG HIS A 97 54.802 26.799 -4.588 1.00 40.28 C ATOM 201 ND1 HIS A 97 53.552 27.332 -4.357 1.00 45.23 N ATOM 202 CD2 HIS A 97 54.809 26.400 -5.886 1.00 46.20 C ATOM 203 CE1 HIS A 97 52.837 27.277 -5.473 1.00 47.17 C ATOM 204 NE2 HIS A 97 53.574 26.704 -6.410 1.00 43.54 N ATOM 205 H HIS A 97 57.661 28.632 -4.415 1.00 53.09 H ATOM 206 HA HIS A 97 55.602 28.575 -2.658 1.00 54.42 H ATOM 207 HB2 HIS A 97 56.618 26.249 -3.912 1.00 46.93 H ATOM 208 HB3 HIS A 97 55.503 26.246 -2.782 1.00 46.93 H ATOM 209 HD2 HIS A 97 55.517 25.999 -6.337 1.00 55.44 H ATOM 210 HE1 HIS A 97 51.959 27.567 -5.572 1.00 56.60 H ATOM 211 N TYR A 98 57.267 28.491 -0.811 1.00 44.88 N ATOM 212 CA TYR A 98 58.231 28.226 0.294 1.00 42.02 C ATOM 213 C TYR A 98 59.661 28.630 0.000 1.00 45.38 C ATOM 214 O TYR A 98 60.610 27.928 0.360 1.00 43.91 O ATOM 215 CB TYR A 98 58.204 26.727 0.688 1.00 42.09 C ATOM 216 CG TYR A 98 56.781 26.261 0.926 1.00 38.76 C ATOM 217 CD1 TYR A 98 56.053 26.717 2.001 1.00 43.78 C ATOM 218 CD2 TYR A 98 56.158 25.417 0.031 1.00 41.76 C ATOM 219 CE1 TYR A 98 54.701 26.323 2.189 1.00 44.04 C ATOM 220 CE2 TYR A 98 54.847 25.024 0.194 1.00 44.50 C ATOM 221 CZ TYR A 98 54.117 25.454 1.288 1.00 43.99 C ATOM 222 OH TYR A 98 52.785 25.061 1.433 1.00 44.16 O ATOM 223 H TYR A 98 56.618 29.014 -0.598 1.00 53.85 H ATOM 224 HA TYR A 98 57.945 28.732 1.071 1.00 50.43 H ATOM 225 HB2 TYR A 98 58.584 26.198 -0.031 1.00 50.51 H ATOM 226 HB3 TYR A 98 58.710 26.599 1.505 1.00 50.51 H ATOM 227 HD1 TYR A 98 56.450 27.298 2.609 1.00 52.53 H ATOM 228 HD2 TYR A 98 56.632 25.114 -0.710 1.00 50.11 H ATOM 229 HE1 TYR A 98 54.221 26.628 2.925 1.00 52.85 H ATOM 230 HE2 TYR A 98 54.458 24.446 -0.422 1.00 53.40 H ATOM 231 HH TYR A 98 52.450 25.426 2.111 1.00 52.99 H ATOM 232 N GLY A 99 59.807 29.777 -0.653 1.00 48.03 N ATOM 233 CA GLY A 99 61.105 30.377 -0.868 1.00 46.76 C ATOM 234 C GLY A 99 61.586 30.438 -2.310 1.00 54.86 C ATOM 235 O GLY A 99 62.545 31.148 -2.583 1.00 53.13 O ATOM 236 H GLY A 99 59.156 30.231 -0.984 1.00 57.63 H ATOM 237 HA2 GLY A 99 61.088 31.284 -0.526 1.00 56.11 H ATOM 238 HA3 GLY A 99 61.764 29.880 -0.359 1.00 56.11 H ATOM 239 N LEU A 100 60.974 29.693 -3.232 1.00 48.55 N ATOM 240 CA LEU A 100 61.504 29.652 -4.591 1.00 46.07 C ATOM 241 C LEU A 100 60.523 29.020 -5.565 1.00 51.49 C ATOM 242 O LEU A 100 59.487 28.507 -5.154 1.00 47.75 O ATOM 243 CB LEU A 100 62.846 28.900 -4.603 1.00 54.02 C ATOM 244 CG LEU A 100 62.786 27.442 -4.120 1.00 55.12 C ATOM 245 CD1 LEU A 100 63.293 26.574 -5.214 1.00 61.97 C ATOM 246 CD2 LEU A 100 63.605 27.189 -2.902 1.00 61.13 C ATOM 247 H LEU A 100 60.270 29.217 -3.100 1.00 58.26 H ATOM 248 HA LEU A 100 61.671 30.560 -4.888 1.00 55.29 H ATOM 249 HB2 LEU A 100 63.186 28.892 -5.512 1.00 64.82 H ATOM 250 HB3 LEU A 100 63.468 29.372 -4.028 1.00 64.82 H ATOM 251 HG LEU A 100 61.867 27.198 -3.932 1.00 66.15 H ATOM 252 HD11 LEU A 100 63.261 25.649 -4.922 1.00 74.36 H ATOM 253 HD12 LEU A 100 62.733 26.694 -5.996 1.00 74.36 H ATOM 254 HD13 LEU A 100 64.207 26.825 -5.418 1.00 74.36 H ATOM 255 HD21 LEU A 100 63.522 26.255 -2.654 1.00 73.35 H ATOM 256 HD22 LEU A 100 64.532 27.398 -3.096 1.00 73.35 H ATOM 257 HD23 LEU A 100 63.282 27.752 -2.182 1.00 73.35 H ATOM 258 N LEU A 101 60.840 29.079 -6.854 1.00 47.33 N ATOM 259 CA LEU A 101 59.977 28.525 -7.877 1.00 53.54 C ATOM 260 C LEU A 101 59.968 27.011 -7.789 1.00 50.47 C ATOM 261 O LEU A 101 61.013 26.399 -7.761 1.00 48.83 O ATOM 262 CB LEU A 101 60.433 28.970 -9.268 1.00 51.03 C ATOM 263 CG LEU A 101 60.232 30.454 -9.619 1.00 55.85 C ATOM 264 CD1 LEU A 101 60.801 30.720 -11.010 1.00 61.04 C ATOM 265 CD2 LEU A 101 58.745 30.884 -9.555 1.00 51.34 C ATOM 266 H LEU A 101 61.558 29.439 -7.161 1.00 56.79 H ATOM 267 HA LEU A 101 59.072 28.843 -7.738 1.00 64.25 H ATOM 268 HB2 LEU A 101 61.381 28.782 -9.351 1.00 61.24 H ATOM 269 HB3 LEU A 101 59.945 28.451 -9.927 1.00 61.24 H ATOM 270 HG LEU A 101 60.727 30.996 -8.986 1.00 67.02 H ATOM 271 HD11 LEU A 101 60.673 31.656 -11.229 1.00 73.24 H ATOM 272 HD12 LEU A 101 61.747 30.506 -11.010 1.00 73.24 H ATOM 273 HD13 LEU A 101 60.335 30.163 -11.653 1.00 73.24 H ATOM 274 HD21 LEU A 101 58.679 31.824 -9.785 1.00 61.61 H ATOM 275 HD22 LEU A 101 58.236 30.352 -10.187 1.00 61.61 H ATOM 276 HD23 LEU A 101 58.414 30.738 -8.656 1.00 61.61 H ATOM 277 N THR A 102 58.784 26.411 -7.691 1.00 48.62 N ATOM 278 CA THR A 102 58.669 24.937 -7.666 1.00 44.79 C ATOM 279 C THR A 102 57.387 24.476 -8.373 1.00 43.45 C ATOM 280 O THR A 102 56.477 25.273 -8.626 1.00 43.24 O ATOM 281 CB THR A 102 58.627 24.335 -6.208 1.00 43.36 C ATOM 282 OG1 THR A 102 57.275 24.363 -5.744 1.00 47.23 O ATOM 283 CG2 THR A 102 59.547 25.056 -5.204 1.00 51.32 C ATOM 284 H THR A 102 58.032 26.825 -7.637 1.00 58.35 H ATOM 285 HA THR A 102 59.428 24.550 -8.132 1.00 53.75 H ATOM 286 HB THR A 102 58.916 23.410 -6.251 1.00 52.03 H ATOM 287 HG1 THR A 102 57.232 24.046 -4.967 1.00 56.67 H ATOM 288 HG21 THR A 102 59.475 24.640 -4.331 1.00 61.58 H ATOM 289 HG22 THR A 102 60.469 25.005 -5.503 1.00 61.58 H ATOM 290 HG23 THR A 102 59.291 25.989 -5.131 1.00 61.58 H ATOM 291 N CYS A 103 57.305 23.172 -8.663 1.00 46.07 N ATOM 292 CA CYS A 103 56.092 22.581 -9.214 1.00 47.08 C ATOM 293 C CYS A 103 55.021 22.493 -8.125 1.00 41.66 C ATOM 294 O CYS A 103 55.302 22.598 -6.913 1.00 40.16 O ATOM 295 CB CYS A 103 56.363 21.179 -9.825 1.00 45.01 C ATOM 296 SG CYS A 103 56.783 19.843 -8.652 1.00 42.72 S ATOM 297 H CYS A 103 57.945 22.609 -8.547 1.00 55.29 H ATOM 298 HA CYS A 103 55.754 23.154 -9.920 1.00 56.50 H ATOM 299 HB2 CYS A 103 55.569 20.899 -10.306 1.00 54.01 H ATOM 300 HB3 CYS A 103 57.103 21.257 -10.447 1.00 54.01 H ATOM 301 N GLU A 104 53.795 22.295 -8.562 1.00 44.33 N ATOM 302 CA GLU A 104 52.680 22.100 -7.638 1.00 45.50 C ATOM 303 C GLU A 104 52.889 20.873 -6.724 1.00 45.96 C ATOM 304 O GLU A 104 52.544 20.905 -5.549 1.00 42.96 O ATOM 305 CB GLU A 104 51.392 21.947 -8.416 1.00 42.76 C ATOM 306 CG GLU A 104 50.153 22.191 -7.565 1.00 46.75 C ATOM 307 CD GLU A 104 50.008 23.645 -7.100 1.00 50.28 C ATOM 308 OE1 GLU A 104 50.750 24.548 -7.592 1.00 50.88 O ATOM 309 OE2 GLU A 104 49.131 23.883 -6.236 1.00 52.95 O1- ATOM 310 H GLU A 104 53.573 22.267 -9.393 1.00 53.19 H ATOM 311 HA GLU A 104 52.598 22.884 -7.073 1.00 54.60 H ATOM 312 HB2 GLU A 104 51.386 22.588 -9.144 1.00 51.32 H ATOM 313 HB3 GLU A 104 51.341 21.045 -8.767 1.00 51.32 H ATOM 314 HG2 GLU A 104 49.366 21.965 -8.085 1.00 56.10 H ATOM 315 HG3 GLU A 104 50.199 21.629 -6.775 1.00 56.10 H ATOM 316 N SER A 105 53.495 19.806 -7.238 1.00 43.08 N ATOM 317 CA SER A 105 53.553 18.563 -6.471 1.00 45.68 C ATOM 318 C SER A 105 54.571 18.744 -5.330 1.00 44.05 C ATOM 319 O SER A 105 54.345 18.276 -4.200 1.00 41.13 O ATOM 320 CB SER A 105 53.903 17.352 -7.355 1.00 45.81 C ATOM 321 OG SER A 105 55.264 17.375 -7.865 1.00 44.77 O ATOM 322 H SER A 105 53.873 19.773 -8.010 1.00 51.69 H ATOM 323 HA SER A 105 52.685 18.399 -6.072 1.00 54.81 H ATOM 324 HB2 SER A 105 53.786 16.545 -6.829 1.00 54.97 H ATOM 325 HB3 SER A 105 53.293 17.337 -8.109 1.00 54.97 H ATOM 326 HG SER A 105 55.384 18.063 -8.332 1.00 53.72 H ATOM 327 N CYS A 106 55.657 19.455 -5.602 1.00 39.70 N ATOM 328 CA CYS A 106 56.727 19.572 -4.609 1.00 43.08 C ATOM 329 C CYS A 106 56.293 20.562 -3.538 1.00 41.33 C ATOM 330 O CYS A 106 56.683 20.440 -2.386 1.00 46.32 O ATOM 331 CB CYS A 106 58.069 19.957 -5.260 1.00 42.88 C ATOM 332 SG CYS A 106 59.051 18.516 -6.017 1.00 46.44 S ATOM 333 H CYS A 106 55.802 19.875 -6.339 1.00 47.64 H ATOM 334 HA CYS A 106 56.846 18.710 -4.181 1.00 51.70 H ATOM 335 HB2 CYS A 106 57.895 20.596 -5.969 1.00 51.46 H ATOM 336 HB3 CYS A 106 58.630 20.369 -4.584 1.00 51.46 H ATOM 337 N LYS A 107 55.423 21.495 -3.910 1.00 43.13 N ATOM 338 CA LYS A 107 54.699 22.365 -2.955 1.00 43.04 C ATOM 339 C LYS A 107 53.876 21.555 -1.976 1.00 40.37 C ATOM 340 O LYS A 107 54.022 21.689 -0.743 1.00 48.48 O ATOM 341 CB LYS A 107 53.809 23.357 -3.725 1.00 39.46 C ATOM 342 CG LYS A 107 52.739 24.103 -2.958 1.00 37.78 C ATOM 343 CD LYS A 107 51.555 24.416 -3.840 1.00 44.08 C ATOM 344 CE LYS A 107 50.385 24.989 -3.017 1.00 42.78 C ATOM 345 NZ LYS A 107 49.268 25.467 -3.863 1.00 49.15 N1+ ATOM 346 H LYS A 107 55.224 21.656 -4.731 1.00 51.76 H ATOM 347 HA LYS A 107 55.346 22.878 -2.446 1.00 51.65 H ATOM 348 HB2 LYS A 107 54.386 24.027 -4.124 1.00 47.35 H ATOM 349 HB3 LYS A 107 53.359 22.867 -4.430 1.00 47.35 H ATOM 350 HG2 LYS A 107 52.433 23.555 -2.219 1.00 45.33 H ATOM 351 HG3 LYS A 107 53.104 24.940 -2.629 1.00 45.33 H ATOM 352 HD2 LYS A 107 51.813 25.075 -4.503 1.00 52.90 H ATOM 353 HD3 LYS A 107 51.253 23.602 -4.273 1.00 52.90 H ATOM 354 HE2 LYS A 107 50.042 24.297 -2.431 1.00 51.34 H ATOM 355 HE3 LYS A 107 50.706 25.739 -2.492 1.00 51.34 H ATOM 356 HZ1 LYS A 107 48.615 25.790 -3.352 1.00 58.98 H ATOM 357 HZ2 LYS A 107 49.554 26.111 -4.408 1.00 58.98 H ATOM 358 HZ3 LYS A 107 48.948 24.796 -4.352 1.00 58.98 H ATOM 359 N GLY A 108 53.008 20.710 -2.511 1.00 42.96 N ATOM 360 CA GLY A 108 52.161 19.873 -1.690 1.00 42.25 C ATOM 361 C GLY A 108 52.949 18.960 -0.775 1.00 45.66 C ATOM 362 O GLY A 108 52.682 18.860 0.440 1.00 44.10 O ATOM 363 H GLY A 108 52.892 20.604 -3.356 1.00 51.55 H ATOM 364 HA2 GLY A 108 51.587 20.432 -1.144 1.00 50.70 H ATOM 365 HA3 GLY A 108 51.601 19.324 -2.261 1.00 50.70 H ATOM 366 N PHE A 109 53.963 18.324 -1.346 1.00 38.93 N ATOM 367 CA PHE A 109 54.772 17.375 -0.595 1.00 39.13 C ATOM 368 C PHE A 109 55.521 18.027 0.574 1.00 41.03 C ATOM 369 O PHE A 109 55.563 17.473 1.693 1.00 45.91 O ATOM 370 CB PHE A 109 55.777 16.677 -1.531 1.00 41.03 C ATOM 371 CG PHE A 109 56.806 15.844 -0.812 1.00 39.27 C ATOM 372 CD1 PHE A 109 56.498 14.549 -0.372 1.00 41.70 C ATOM 373 CD2 PHE A 109 58.092 16.349 -0.570 1.00 39.09 C ATOM 374 CE1 PHE A 109 57.441 13.766 0.311 1.00 38.90 C ATOM 375 CE2 PHE A 109 59.039 15.564 0.078 1.00 43.65 C ATOM 376 CZ PHE A 109 58.705 14.242 0.508 1.00 38.40 C ATOM 377 H PHE A 109 54.202 18.423 -2.166 1.00 46.71 H ATOM 378 HA PHE A 109 54.188 16.693 -0.227 1.00 46.95 H ATOM 379 HB2 PHE A 109 55.289 16.091 -2.131 1.00 49.23 H ATOM 380 HB3 PHE A 109 56.248 17.353 -2.043 1.00 49.23 H ATOM 381 HD1 PHE A 109 55.645 14.210 -0.519 1.00 50.04 H ATOM 382 HD2 PHE A 109 58.319 17.201 -0.866 1.00 46.91 H ATOM 383 HE1 PHE A 109 57.220 12.905 0.584 1.00 46.68 H ATOM 384 HE2 PHE A 109 59.892 15.900 0.233 1.00 52.38 H ATOM 385 HZ PHE A 109 59.332 13.727 0.964 1.00 46.08 H ATOM 386 N PHE A 110 56.126 19.180 0.322 1.00 43.37 N ATOM 387 CA PHE A 110 56.867 19.918 1.366 1.00 41.26 C ATOM 388 C PHE A 110 55.900 20.366 2.480 1.00 38.63 C ATOM 389 O PHE A 110 56.127 20.113 3.645 1.00 41.44 O ATOM 390 CB PHE A 110 57.600 21.114 0.748 1.00 42.09 C ATOM 391 CG PHE A 110 58.502 21.831 1.693 1.00 42.26 C ATOM 392 CD1 PHE A 110 59.758 21.329 2.000 1.00 48.45 C ATOM 393 CD2 PHE A 110 58.101 23.010 2.282 1.00 40.78 C ATOM 394 CE1 PHE A 110 60.597 22.021 2.883 1.00 51.80 C ATOM 395 CE2 PHE A 110 58.930 23.694 3.140 1.00 38.69 C ATOM 396 CZ PHE A 110 60.150 23.224 3.449 1.00 41.70 C ATOM 397 H PHE A 110 56.129 19.567 -0.446 1.00 52.05 H ATOM 398 HA PHE A 110 57.530 19.330 1.761 1.00 49.52 H ATOM 399 HB2 PHE A 110 58.139 20.799 0.006 1.00 50.51 H ATOM 400 HB3 PHE A 110 56.942 21.751 0.428 1.00 50.51 H ATOM 401 HD1 PHE A 110 60.046 20.533 1.613 1.00 58.14 H ATOM 402 HD2 PHE A 110 57.264 23.361 2.079 1.00 48.93 H ATOM 403 HE1 PHE A 110 61.440 21.689 3.089 1.00 62.16 H ATOM 404 HE2 PHE A 110 58.635 24.488 3.524 1.00 46.43 H ATOM 405 HZ PHE A 110 60.695 23.692 4.041 1.00 50.04 H ATOM 406 N LYS A 111 54.781 20.951 2.101 1.00 45.42 N ATOM 407 CA LYS A 111 53.760 21.331 3.066 1.00 43.03 C ATOM 408 C LYS A 111 53.236 20.197 3.971 1.00 47.44 C ATOM 409 O LYS A 111 53.161 20.393 5.197 1.00 42.16 O ATOM 410 CB LYS A 111 52.599 21.952 2.344 1.00 41.72 C ATOM 411 CG LYS A 111 51.548 22.527 3.278 1.00 48.62 C ATOM 412 CD LYS A 111 50.265 22.753 2.553 1.00 47.45 C ATOM 413 CE LYS A 111 49.504 21.468 2.395 1.00 49.52 C ATOM 414 NZ LYS A 111 48.330 21.659 1.494 1.00 50.03 N1+ ATOM 415 H LYS A 111 54.584 21.143 1.287 1.00 54.51 H ATOM 416 HA LYS A 111 54.133 22.011 3.649 1.00 51.64 H ATOM 417 HB2 LYS A 111 52.927 22.674 1.785 1.00 50.06 H ATOM 418 HB3 LYS A 111 52.172 21.276 1.795 1.00 50.06 H ATOM 419 HG2 LYS A 111 51.384 21.903 4.003 1.00 58.35 H ATOM 420 HG3 LYS A 111 51.857 23.377 3.627 1.00 58.35 H ATOM 421 HD2 LYS A 111 49.716 23.374 3.057 1.00 56.95 H ATOM 422 HD3 LYS A 111 50.453 23.108 1.670 1.00 56.95 H ATOM 423 HE2 LYS A 111 50.084 20.795 2.005 1.00 59.42 H ATOM 424 HE3 LYS A 111 49.181 21.175 3.262 1.00 59.42 H ATOM 425 HZ1 LYS A 111 48.604 21.928 0.691 1.00 60.04 H ATOM 426 HZ2 LYS A 111 47.886 20.893 1.407 1.00 60.04 H ATOM 427 HZ3 LYS A 111 47.783 22.273 1.834 1.00 60.04 H ATOM 428 N ARG A 112 52.833 19.064 3.382 1.00 44.22 N ATOM 429 CA ARG A 112 52.471 17.847 4.133 1.00 46.68 C ATOM 430 C ARG A 112 53.519 17.357 5.108 1.00 46.22 C ATOM 431 O ARG A 112 53.199 16.914 6.212 1.00 51.80 O ATOM 432 CB ARG A 112 52.266 16.658 3.220 1.00 45.23 C ATOM 433 CG ARG A 112 51.076 16.607 2.464 1.00 50.87 C ATOM 434 CD ARG A 112 50.847 15.191 1.999 1.00 48.94 C ATOM 435 NE ARG A 112 51.744 14.742 0.950 1.00 45.63 N ATOM 436 CZ ARG A 112 51.650 15.106 -0.326 1.00 40.29 C ATOM 437 NH1 ARG A 112 50.728 15.963 -0.695 1.00 41.93 N1+ ATOM 438 NH2 ARG A 112 52.480 14.608 -1.229 1.00 42.57 N ATOM 439 H ARG A 112 52.758 18.972 2.531 1.00 53.06 H ATOM 440 HA ARG A 112 51.647 18.003 4.621 1.00 56.01 H ATOM 441 HB2 ARG A 112 53.003 16.636 2.589 1.00 54.27 H ATOM 442 HB3 ARG A 112 52.290 15.856 3.764 1.00 54.27 H ATOM 443 HG2 ARG A 112 50.325 16.879 3.015 1.00 61.04 H ATOM 444 HG3 ARG A 112 51.156 17.181 1.686 1.00 61.04 H ATOM 445 HD2 ARG A 112 50.959 14.595 2.756 1.00 58.73 H ATOM 446 HD3 ARG A 112 49.941 15.120 1.660 1.00 58.73 H ATOM 447 HE ARG A 112 52.380 14.205 1.168 1.00 54.76 H ATOM 448 HH11 ARG A 112 50.177 16.278 -0.114 1.00 50.32 H ATOM 449 HH12 ARG A 112 50.669 16.204 -1.518 1.00 50.32 H ATOM 450 HH21 ARG A 112 53.093 14.055 -0.989 1.00 51.09 H ATOM 451 HH22 ARG A 112 52.428 14.864 -2.048 1.00 51.09 H ATOM 452 N THR A 113 54.761 17.317 4.637 1.00 44.48 N ATOM 453 CA THR A 113 55.876 16.861 5.457 1.00 39.81 C ATOM 454 C THR A 113 56.054 17.785 6.644 1.00 50.07 C ATOM 455 O THR A 113 56.120 17.316 7.782 1.00 44.50 O ATOM 456 CB THR A 113 57.180 16.820 4.670 1.00 41.67 C ATOM 457 OG1 THR A 113 57.014 15.973 3.527 1.00 48.89 O ATOM 458 CG2 THR A 113 58.326 16.328 5.506 1.00 48.92 C ATOM 459 H THR A 113 54.985 17.549 3.839 1.00 53.38 H ATOM 460 HA THR A 113 55.689 15.969 5.788 1.00 47.77 H ATOM 461 HB THR A 113 57.393 17.717 4.368 1.00 50.01 H ATOM 462 HG1 THR A 113 56.402 16.270 3.035 1.00 58.67 H ATOM 463 HG21 THR A 113 59.139 16.314 4.978 1.00 58.70 H ATOM 464 HG22 THR A 113 58.456 16.914 6.268 1.00 58.70 H ATOM 465 HG23 THR A 113 58.142 15.431 5.826 1.00 58.70 H ATOM 466 N VAL A 114 56.176 19.098 6.383 1.00 47.44 N ATOM 467 CA VAL A 114 56.478 20.031 7.463 1.00 43.06 C ATOM 468 C VAL A 114 55.247 20.229 8.361 1.00 47.85 C ATOM 469 O VAL A 114 55.373 20.342 9.569 1.00 54.12 O ATOM 470 CB VAL A 114 56.946 21.380 6.946 1.00 45.45 C ATOM 471 CG1 VAL A 114 57.297 22.313 8.105 1.00 47.43 C ATOM 472 CG2 VAL A 114 58.123 21.188 6.079 1.00 47.11 C ATOM 473 H VAL A 114 56.090 19.458 5.607 1.00 56.93 H ATOM 474 HA VAL A 114 57.188 19.659 8.009 1.00 51.67 H ATOM 475 HB VAL A 114 56.240 21.790 6.422 1.00 54.54 H ATOM 476 HG11 VAL A 114 57.592 23.164 7.746 1.00 56.91 H ATOM 477 HG12 VAL A 114 56.509 22.441 8.657 1.00 56.91 H ATOM 478 HG13 VAL A 114 58.007 21.911 8.630 1.00 56.91 H ATOM 479 HG21 VAL A 114 58.417 22.053 5.752 1.00 56.53 H ATOM 480 HG22 VAL A 114 58.830 20.771 6.596 1.00 56.53 H ATOM 481 HG23 VAL A 114 57.876 20.619 5.334 1.00 56.53 H ATOM 482 N GLN A 115 54.051 20.239 7.796 1.00 44.95 N ATOM 483 CA GLN A 115 52.889 20.440 8.632 1.00 48.37 C ATOM 484 C GLN A 115 52.773 19.377 9.714 1.00 55.99 C ATOM 485 O GLN A 115 52.375 19.683 10.860 1.00 52.48 O ATOM 486 CB GLN A 115 51.622 20.440 7.816 1.00 47.47 C ATOM 487 CG GLN A 115 51.250 21.812 7.332 1.00 47.58 C ATOM 488 CD GLN A 115 49.988 21.810 6.545 1.00 51.97 C ATOM 489 OE1 GLN A 115 49.718 20.864 5.794 1.00 50.88 O ATOM 490 NE2 GLN A 115 49.158 22.849 6.740 1.00 49.85 N ATOM 491 H GLN A 115 53.891 20.135 6.957 1.00 53.94 H ATOM 492 HA GLN A 115 52.962 21.303 9.069 1.00 58.04 H ATOM 493 HB2 GLN A 115 51.745 19.871 7.041 1.00 56.97 H ATOM 494 HB3 GLN A 115 50.893 20.107 8.363 1.00 56.97 H ATOM 495 HG2 GLN A 115 51.128 22.396 8.097 1.00 57.09 H ATOM 496 HG3 GLN A 115 51.960 22.151 6.764 1.00 57.09 H ATOM 497 HE21 GLN A 115 49.370 23.470 7.297 1.00 59.83 H ATOM 498 HE22 GLN A 115 48.416 22.894 6.309 1.00 59.83 H ATOM 499 N ASN A 116 53.116 18.148 9.338 1.00 48.54 N ATOM 500 CA ASN A 116 52.783 16.984 10.144 1.00 57.47 C ATOM 501 C ASN A 116 54.036 16.359 10.707 1.00 52.62 C ATOM 502 O ASN A 116 53.980 15.253 11.176 1.00 45.67 O ATOM 503 CB ASN A 116 52.017 15.935 9.321 1.00 48.06 C ATOM 504 CG ASN A 116 50.735 16.483 8.734 1.00 53.09 C ATOM 505 OD1 ASN A 116 50.591 16.580 7.524 1.00 58.91 O ATOM 506 ND2 ASN A 116 49.820 16.879 9.586 1.00 56.63 N ATOM 507 H ASN A 116 53.545 17.963 8.616 1.00 58.25 H ATOM 508 HA ASN A 116 52.221 17.258 10.885 1.00 68.97 H ATOM 509 HB2 ASN A 116 52.578 15.634 8.589 1.00 57.67 H ATOM 510 HB3 ASN A 116 51.789 15.186 9.894 1.00 57.67 H ATOM 511 HD21 ASN A 116 49.075 17.198 9.299 1.00 67.95 H ATOM 512 HD22 ASN A 116 49.965 16.821 10.431 1.00 67.95 H ATOM 513 N ASN A 117 55.165 17.060 10.629 1.00 46.69 N ATOM 514 CA ASN A 117 56.427 16.541 11.140 1.00 45.05 C ATOM 515 C ASN A 117 56.701 15.105 10.676 1.00 50.69 C ATOM 516 O ASN A 117 57.168 14.295 11.446 1.00 49.48 O ATOM 517 CB ASN A 117 56.426 16.597 12.671 1.00 47.57 C ATOM 518 CG ASN A 117 57.805 16.415 13.276 1.00 50.01 C ATOM 519 OD1 ASN A 117 58.819 16.324 12.569 1.00 51.16 O ATOM 520 ND2 ASN A 117 57.858 16.397 14.613 1.00 56.27 N ATOM 521 H ASN A 117 55.225 17.845 10.282 1.00 56.03 H ATOM 522 HA ASN A 117 57.151 17.102 10.820 1.00 54.06 H ATOM 523 HB2 ASN A 117 56.088 17.462 12.953 1.00 57.08 H ATOM 524 HB3 ASN A 117 55.855 15.891 13.011 1.00 57.08 H ATOM 525 HD21 ASN A 117 58.613 16.297 15.013 1.00 67.52 H ATOM 526 HD22 ASN A 117 57.136 16.486 15.073 1.00 67.52 H ATOM 527 N LYS A 118 56.409 14.800 9.412 1.00 54.61 N ATOM 528 CA LYS A 118 56.673 13.473 8.860 1.00 53.11 C ATOM 529 C LYS A 118 58.159 13.190 8.775 1.00 54.97 C ATOM 530 O LYS A 118 58.957 14.095 8.490 1.00 57.26 O ATOM 531 CB LYS A 118 56.026 13.344 7.475 1.00 56.32 C ATOM 532 CG LYS A 118 54.503 13.266 7.529 1.00 54.47 C ATOM 533 CD LYS A 118 53.936 12.765 6.197 1.00 59.50 C ATOM 534 CE LYS A 118 52.432 12.796 6.148 1.00 67.46 C ATOM 535 NZ LYS A 118 51.936 12.279 4.819 1.00 71.73 N1+ ATOM 536 H LYS A 118 56.056 15.348 8.852 1.00 65.53 H ATOM 537 HA LYS A 118 56.274 12.806 9.440 1.00 63.74 H ATOM 538 HB2 LYS A 118 56.267 14.117 6.942 1.00 67.58 H ATOM 539 HB3 LYS A 118 56.352 12.535 7.051 1.00 67.58 H ATOM 540 HG2 LYS A 118 54.236 12.648 8.227 1.00 65.36 H ATOM 541 HG3 LYS A 118 54.141 14.149 7.702 1.00 65.36 H ATOM 542 HD2 LYS A 118 54.271 13.328 5.481 1.00 71.40 H ATOM 543 HD3 LYS A 118 54.221 11.848 6.059 1.00 71.40 H ATOM 544 HE2 LYS A 118 52.074 12.231 6.850 1.00 80.95 H ATOM 545 HE3 LYS A 118 52.123 13.709 6.257 1.00 80.95 H ATOM 546 HZ1 LYS A 118 51.046 12.301 4.798 1.00 86.07 H ATOM 547 HZ2 LYS A 118 52.253 12.785 4.159 1.00 86.07 H ATOM 548 HZ3 LYS A 118 52.208 11.441 4.698 1.00 86.07 H ATOM 549 N ARG A 119 58.538 11.941 9.046 1.00 48.71 N ATOM 550 CA ARG A 119 59.940 11.515 8.967 1.00 55.29 C ATOM 551 C ARG A 119 60.022 10.254 8.123 1.00 57.20 C ATOM 552 O ARG A 119 59.334 9.279 8.390 1.00 58.93 O ATOM 553 CB ARG A 119 60.545 11.239 10.340 1.00 56.78 C ATOM 554 CG ARG A 119 60.523 12.382 11.299 1.00 62.12 C ATOM 555 CD ARG A 119 61.392 13.557 10.841 1.00 62.56 C ATOM 556 NE ARG A 119 61.145 14.667 11.764 1.00 64.29 N ATOM 557 CZ ARG A 119 61.948 15.041 12.761 1.00 64.33 C ATOM 558 NH1 ARG A 119 63.119 14.445 12.978 1.00 74.07 N1+ ATOM 559 NH2 ARG A 119 61.574 16.039 13.551 1.00 68.19 N ATOM 560 H ARG A 119 57.998 11.314 9.280 1.00 58.45 H ATOM 561 HA ARG A 119 60.463 12.207 8.535 1.00 66.35 H ATOM 562 HB2 ARG A 119 60.056 10.508 10.749 1.00 68.14 H ATOM 563 HB3 ARG A 119 61.472 10.979 10.219 1.00 68.14 H ATOM 564 HG2 ARG A 119 59.612 12.701 11.390 1.00 74.55 H ATOM 565 HG3 ARG A 119 60.856 12.080 12.158 1.00 74.55 H ATOM 566 HD2 ARG A 119 62.331 13.314 10.882 1.00 75.08 H ATOM 567 HD3 ARG A 119 61.140 13.829 9.944 1.00 75.08 H ATOM 568 HE ARG A 119 60.420 15.115 11.655 1.00 77.15 H ATOM 569 HH11 ARG A 119 63.367 13.789 12.479 1.00 88.88 H ATOM 570 HH12 ARG A 119 63.623 14.709 13.622 1.00 88.88 H ATOM 571 HH21 ARG A 119 60.826 16.439 13.413 1.00 81.82 H ATOM 572 HH22 ARG A 119 62.093 16.304 14.183 1.00 81.82 H ATOM 573 N TYR A 120 60.867 10.286 7.106 1.00 53.69 N ATOM 574 CA TYR A 120 60.887 9.237 6.098 1.00 56.33 C ATOM 575 C TYR A 120 62.169 8.444 6.264 1.00 55.34 C ATOM 576 O TYR A 120 63.058 8.873 6.988 1.00 49.02 O ATOM 577 CB TYR A 120 60.801 9.829 4.670 1.00 49.70 C ATOM 578 CG TYR A 120 59.649 10.767 4.461 1.00 48.42 C ATOM 579 CD1 TYR A 120 58.353 10.303 4.498 1.00 50.15 C ATOM 580 CD2 TYR A 120 59.851 12.121 4.237 1.00 50.69 C ATOM 581 CE1 TYR A 120 57.294 11.153 4.309 1.00 50.28 C ATOM 582 CE2 TYR A 120 58.770 12.996 4.027 1.00 44.65 C ATOM 583 CZ TYR A 120 57.503 12.501 4.061 1.00 45.88 C ATOM 584 OH TYR A 120 56.381 13.315 3.875 1.00 50.28 O ATOM 585 H TYR A 120 61.444 10.910 6.974 1.00 64.43 H ATOM 586 HA TYR A 120 60.134 8.641 6.233 1.00 67.59 H ATOM 587 HB2 TYR A 120 61.617 10.319 4.487 1.00 59.64 H ATOM 588 HB3 TYR A 120 60.707 9.100 4.037 1.00 59.64 H ATOM 589 HD1 TYR A 120 58.194 9.400 4.651 1.00 60.18 H ATOM 590 HD2 TYR A 120 60.719 12.453 4.202 1.00 60.83 H ATOM 591 HE1 TYR A 120 56.427 10.818 4.329 1.00 60.34 H ATOM 592 HE2 TYR A 120 58.919 13.901 3.872 1.00 53.57 H ATOM 593 HH TYR A 120 56.621 14.107 3.732 1.00 60.34 H ATOM 594 N THR A 121 62.255 7.310 5.573 1.00 60.64 N ATOM 595 CA THR A 121 63.452 6.472 5.562 1.00 63.15 C ATOM 596 C THR A 121 63.882 6.159 4.140 1.00 62.30 C ATOM 597 O THR A 121 63.106 5.596 3.372 1.00 61.57 O ATOM 598 CB THR A 121 63.224 5.118 6.258 1.00 67.15 C ATOM 599 OG1 THR A 121 62.198 5.237 7.254 1.00 65.65 O ATOM 600 CG2 THR A 121 64.521 4.607 6.856 1.00 70.52 C ATOM 601 H THR A 121 61.616 6.996 5.091 1.00 72.77 H ATOM 602 HA THR A 121 64.177 6.934 6.011 1.00 75.78 H ATOM 603 HB THR A 121 62.935 4.474 5.593 1.00 80.58 H ATOM 604 HG1 THR A 121 62.077 4.496 7.631 1.00 78.78 H ATOM 605 HG21 THR A 121 64.371 3.754 7.293 1.00 84.62 H ATOM 606 HG22 THR A 121 65.184 4.491 6.158 1.00 84.62 H ATOM 607 HG23 THR A 121 64.857 5.241 7.509 1.00 84.62 H ATOM 608 N CYS A 122 65.113 6.509 3.793 1.00 61.08 N ATOM 609 CA CYS A 122 65.688 6.023 2.558 1.00 64.90 C ATOM 610 C CYS A 122 66.150 4.607 2.762 1.00 70.84 C ATOM 611 O CYS A 122 66.767 4.299 3.785 1.00 72.38 O ATOM 612 CB CYS A 122 66.864 6.853 2.097 1.00 54.81 C ATOM 613 SG CYS A 122 67.503 6.171 0.570 1.00 56.74 S ATOM 614 H CYS A 122 65.628 7.023 4.252 1.00 73.30 H ATOM 615 HA CYS A 122 65.013 6.030 1.861 1.00 77.88 H ATOM 616 HB2 CYS A 122 66.578 7.765 1.935 1.00 65.77 H ATOM 617 HB3 CYS A 122 67.566 6.827 2.767 1.00 65.77 H ATOM 618 N ILE A 123 65.898 3.771 1.761 1.00 74.32 N ATOM 619 CA ILE A 123 66.122 2.329 1.879 1.00 81.98 C ATOM 620 C ILE A 123 67.325 1.906 1.067 1.00 79.75 C ATOM 621 O ILE A 123 67.873 0.827 1.264 1.00 85.87 O ATOM 622 CB ILE A 123 64.841 1.557 1.457 1.00 81.70 C ATOM 623 CG1 ILE A 123 63.939 1.349 2.684 1.00 78.41 C ATOM 624 CG2 ILE A 123 65.148 0.231 0.770 1.00 87.16 C ATOM 625 CD1 ILE A 123 64.592 0.593 3.872 1.00 85.86 C ATOM 626 H ILE A 123 65.594 4.014 0.994 1.00 89.19 H ATOM 627 HA ILE A 123 66.303 2.116 2.808 1.00 98.38 H ATOM 628 HB ILE A 123 64.357 2.111 0.825 1.00 98.04 H ATOM 629 HG12 ILE A 123 63.661 2.219 3.011 1.00 94.10 H ATOM 630 HG13 ILE A 123 63.160 0.842 2.410 1.00 94.10 H ATOM 631 HG21 ILE A 123 64.313 -0.201 0.532 1.00104.60 H ATOM 632 HG22 ILE A 123 65.671 0.404 -0.028 1.00104.60 H ATOM 633 HG23 ILE A 123 65.650 -0.331 1.380 1.00104.60 H ATOM 634 HD11 ILE A 123 63.945 0.516 4.590 1.00103.03 H ATOM 635 HD12 ILE A 123 64.863 -0.289 3.574 1.00103.03 H ATOM 636 HD13 ILE A 123 65.366 1.093 4.177 1.00103.03 H ATOM 637 N GLU A 124 67.744 2.787 0.174 1.00 80.47 N ATOM 638 CA GLU A 124 68.982 2.622 -0.553 1.00 82.98 C ATOM 639 C GLU A 124 70.054 3.408 0.243 1.00 83.18 C ATOM 640 O GLU A 124 70.210 3.154 1.441 1.00 80.12 O ATOM 641 CB GLU A 124 68.781 3.086 -2.002 1.00 86.95 C ATOM 642 CG GLU A 124 69.555 2.315 -3.049 1.00107.85 C ATOM 643 CD GLU A 124 70.850 3.000 -3.470 1.00132.95 C ATOM 644 OE1 GLU A 124 70.860 4.242 -3.664 1.00127.06 O ATOM 645 OE2 GLU A 124 71.867 2.285 -3.616 1.00135.58 O1- ATOM 646 H GLU A 124 67.317 3.504 -0.030 1.00 96.56 H ATOM 647 HA GLU A 124 69.231 1.685 -0.562 1.00 99.58 H ATOM 648 HB2 GLU A 124 67.839 3.008 -2.221 1.00104.34 H ATOM 649 HB3 GLU A 124 69.052 4.015 -2.066 1.00104.34 H ATOM 650 HG2 GLU A 124 69.781 1.442 -2.692 1.00129.42 H ATOM 651 HG3 GLU A 124 69.000 2.215 -3.838 1.00129.42 H ATOM 652 N ASN A 125 70.749 4.369 -0.372 1.00 80.51 N ATOM 653 CA ASN A 125 71.913 5.020 0.256 1.00 77.16 C ATOM 654 C ASN A 125 71.806 6.519 0.494 1.00 75.55 C ATOM 655 O ASN A 125 72.824 7.202 0.520 1.00 75.57 O ATOM 656 CB ASN A 125 73.168 4.803 -0.598 1.00 90.18 C ATOM 657 CG ASN A 125 73.408 3.348 -0.944 1.00 93.67 C ATOM 658 OD1 ASN A 125 73.773 3.032 -2.071 1.00 98.41 O ATOM 659 ND2 ASN A 125 73.200 2.458 0.017 1.00 98.10 N ATOM 660 H ASN A 125 70.569 4.666 -1.158 1.00 96.61 H ATOM 661 HA ASN A 125 72.069 4.600 1.117 1.00 92.59 H ATOM 662 HB2 ASN A 125 73.073 5.296 -1.428 1.00108.22 H ATOM 663 HB3 ASN A 125 73.941 5.125 -0.108 1.00108.22 H ATOM 664 HD21 ASN A 125 73.324 1.621 -0.137 1.00117.72 H ATOM 665 HD22 ASN A 125 72.940 2.717 0.795 1.00117.72 H ATOM 666 N GLN A 126 70.596 7.038 0.650 1.00 66.93 N ATOM 667 CA GLN A 126 70.387 8.468 0.907 1.00 64.07 C ATOM 668 C GLN A 126 70.920 9.402 -0.186 1.00 64.06 C ATOM 669 O GLN A 126 71.272 10.548 0.100 1.00 65.15 O ATOM 670 CB GLN A 126 71.012 8.867 2.258 1.00 66.16 C ATOM 671 CG GLN A 126 70.253 8.329 3.471 1.00 71.94 C ATOM 672 CD GLN A 126 70.982 7.198 4.178 1.00 86.29 C ATOM 673 OE1 GLN A 126 71.839 7.440 5.044 1.00 85.83 O ATOM 674 NE2 GLN A 126 70.644 5.947 3.818 1.00 84.83 N ATOM 675 H GLN A 126 69.868 6.583 0.613 1.00 80.32 H ATOM 676 HA GLN A 126 69.432 8.624 0.975 1.00 76.88 H ATOM 677 HB2 GLN A 126 71.917 8.521 2.298 1.00 79.39 H ATOM 678 HB3 GLN A 126 71.026 9.834 2.322 1.00 79.39 H ATOM 679 HG2 GLN A 126 70.129 9.049 4.109 1.00 86.33 H ATOM 680 HG3 GLN A 126 69.391 7.993 3.180 1.00 86.33 H ATOM 681 HE21 GLN A 126 70.043 5.820 3.215 1.00101.80 H ATOM 682 HE22 GLN A 126 71.029 5.274 4.189 1.00101.80 H ATOM 683 N ASN A 127 70.984 8.936 -1.434 1.00 67.56 N ATOM 684 CA ASN A 127 71.181 9.867 -2.544 1.00 68.06 C ATOM 685 C ASN A 127 70.486 9.370 -3.831 1.00 64.98 C ATOM 686 O ASN A 127 71.032 9.387 -4.943 1.00 60.94 O ATOM 687 CB ASN A 127 72.671 10.152 -2.746 1.00 70.52 C ATOM 688 CG ASN A 127 73.403 9.045 -3.479 1.00 80.25 C ATOM 689 OD1 ASN A 127 73.111 7.848 -3.315 1.00 81.50 O ATOM 690 ND2 ASN A 127 74.372 9.445 -4.305 1.00 81.44 N ATOM 691 H ASN A 127 70.919 8.109 -1.660 1.00 81.07 H ATOM 692 HA ASN A 127 70.763 10.708 -2.305 1.00 81.67 H ATOM 693 HB2 ASN A 127 72.766 10.966 -3.264 1.00 84.62 H ATOM 694 HB3 ASN A 127 73.089 10.263 -1.878 1.00 84.62 H ATOM 695 HD21 ASN A 127 74.825 8.865 -4.750 1.00 97.73 H ATOM 696 HD22 ASN A 127 74.544 10.283 -4.393 1.00 97.73 H ATOM 697 N CYS A 128 69.219 9.001 -3.664 1.00 60.92 N ATOM 698 CA CYS A 128 68.395 8.628 -4.792 1.00 65.34 C ATOM 699 C CYS A 128 68.240 9.808 -5.775 1.00 63.44 C ATOM 700 O CYS A 128 68.209 10.978 -5.369 1.00 61.24 O ATOM 701 CB CYS A 128 67.037 8.148 -4.299 1.00 59.02 C ATOM 702 SG CYS A 128 67.100 6.845 -3.073 1.00 61.08 S ATOM 703 H CYS A 128 68.818 8.961 -2.904 1.00 73.10 H ATOM 704 HA CYS A 128 68.819 7.896 -5.266 1.00 78.41 H ATOM 705 HB2 CYS A 128 66.569 8.900 -3.903 1.00 70.82 H ATOM 706 HB3 CYS A 128 66.534 7.813 -5.057 1.00 70.82 H ATOM 707 N GLN A 129 68.183 9.506 -7.069 1.00 61.96 N ATOM 708 CA GLN A 129 67.905 10.534 -8.072 1.00 65.86 C ATOM 709 C GLN A 129 66.419 10.919 -7.999 1.00 61.31 C ATOM 710 O GLN A 129 65.531 10.059 -7.883 1.00 64.37 O ATOM 711 CB GLN A 129 68.262 10.058 -9.491 1.00 71.58 C ATOM 712 CG GLN A 129 68.927 11.153 -10.358 1.00 80.74 C ATOM 713 CD GLN A 129 70.366 11.524 -9.904 1.00 89.12 C ATOM 714 OE1 GLN A 129 71.062 10.730 -9.254 1.00 89.43 O ATOM 715 NE2 GLN A 129 70.801 12.739 -10.248 1.00 91.70 N ATOM 716 H GLN A 129 68.300 8.717 -7.392 1.00 74.35 H ATOM 717 HA GLN A 129 68.433 11.323 -7.875 1.00 79.04 H ATOM 718 HB2 GLN A 129 68.881 9.314 -9.426 1.00 85.90 H ATOM 719 HB3 GLN A 129 67.451 9.774 -9.940 1.00 85.90 H ATOM 720 HG2 GLN A 129 68.976 10.839 -11.275 1.00 96.89 H ATOM 721 HG3 GLN A 129 68.386 11.957 -10.315 1.00 96.89 H ATOM 722 HE21 GLN A 129 70.292 13.268 -10.696 1.00110.03 H ATOM 723 HE22 GLN A 129 71.591 12.993 -10.021 1.00110.03 H ATOM 724 N ILE A 130 66.167 12.217 -8.014 1.00 51.51 N ATOM 725 CA ILE A 130 64.814 12.732 -7.980 1.00 58.83 C ATOM 726 C ILE A 130 64.544 13.338 -9.333 1.00 52.25 C ATOM 727 O ILE A 130 65.263 14.211 -9.800 1.00 48.82 O ATOM 728 CB ILE A 130 64.602 13.786 -6.895 1.00 50.16 C ATOM 729 CG1 ILE A 130 65.199 13.336 -5.556 1.00 49.79 C ATOM 730 CG2 ILE A 130 63.121 14.107 -6.768 1.00 53.06 C ATOM 731 CD1 ILE A 130 64.448 12.171 -4.897 1.00 49.51 C ATOM 732 H ILE A 130 66.772 12.827 -8.045 1.00 61.81 H ATOM 733 HA ILE A 130 64.190 12.004 -7.833 1.00 70.59 H ATOM 734 HB ILE A 130 65.061 14.595 -7.170 1.00 60.19 H ATOM 735 HG12 ILE A 130 66.115 13.053 -5.702 1.00 59.75 H ATOM 736 HG13 ILE A 130 65.181 14.085 -4.940 1.00 59.75 H ATOM 737 HG21 ILE A 130 63.002 14.777 -6.076 1.00 63.67 H ATOM 738 HG22 ILE A 130 62.797 14.447 -7.617 1.00 63.67 H ATOM 739 HG23 ILE A 130 62.642 13.297 -6.531 1.00 63.67 H ATOM 740 HD11 ILE A 130 64.884 11.947 -4.060 1.00 59.41 H ATOM 741 HD12 ILE A 130 63.531 12.440 -4.732 1.00 59.41 H ATOM 742 HD13 ILE A 130 64.466 11.406 -5.495 1.00 59.41 H ATOM 743 N ASP A 131 63.507 12.833 -9.971 1.00 56.08 N ATOM 744 CA ASP A 131 63.027 13.390 -11.233 1.00 56.86 C ATOM 745 C ASP A 131 61.501 13.218 -11.298 1.00 50.53 C ATOM 746 O ASP A 131 60.902 12.628 -10.382 1.00 50.06 O ATOM 747 CB ASP A 131 63.709 12.705 -12.400 1.00 51.89 C ATOM 748 CG ASP A 131 63.556 11.182 -12.355 1.00 56.14 C ATOM 749 OD1 ASP A 131 62.439 10.687 -12.080 1.00 55.53 O ATOM 750 OD2 ASP A 131 64.560 10.471 -12.606 1.00 65.25 O1- ATOM 751 H ASP A 131 63.053 12.157 -9.695 1.00 67.29 H ATOM 752 HA ASP A 131 63.232 14.337 -11.269 1.00 68.23 H ATOM 753 HB2 ASP A 131 63.316 13.023 -13.228 1.00 62.27 H ATOM 754 HB3 ASP A 131 64.656 12.913 -12.380 1.00 62.27 H ATOM 755 N LYS A 132 60.885 13.704 -12.370 1.00 49.61 N ATOM 756 CA LYS A 132 59.445 13.741 -12.435 1.00 47.10 C ATOM 757 C LYS A 132 58.885 12.349 -12.241 1.00 47.05 C ATOM 758 O LYS A 132 57.830 12.194 -11.639 1.00 50.09 O ATOM 759 CB LYS A 132 58.980 14.336 -13.755 1.00 49.18 C ATOM 760 CG LYS A 132 57.508 14.532 -13.805 1.00 43.07 C ATOM 761 CD LYS A 132 57.049 15.375 -15.000 1.00 45.86 C ATOM 762 CE LYS A 132 55.535 15.586 -14.933 1.00 44.94 C ATOM 763 NZ LYS A 132 54.988 16.319 -16.102 1.00 54.04 N1+ ATOM 764 H LYS A 132 61.282 14.015 -13.067 1.00 59.53 H ATOM 765 HA LYS A 132 59.110 14.302 -11.718 1.00 56.52 H ATOM 766 HB2 LYS A 132 59.402 15.201 -13.879 1.00 59.02 H ATOM 767 HB3 LYS A 132 59.228 13.738 -14.477 1.00 59.02 H ATOM 768 HG2 LYS A 132 57.078 13.665 -13.869 1.00 51.68 H ATOM 769 HG3 LYS A 132 57.223 14.983 -12.995 1.00 51.68 H ATOM 770 HD2 LYS A 132 57.483 16.242 -14.973 1.00 55.04 H ATOM 771 HD3 LYS A 132 57.260 14.913 -15.826 1.00 55.04 H ATOM 772 HE2 LYS A 132 55.099 14.721 -14.893 1.00 53.93 H ATOM 773 HE3 LYS A 132 55.325 16.098 -14.136 1.00 53.93 H ATOM 774 HZ1 LYS A 132 54.107 16.416 -16.015 1.00 64.85 H ATOM 775 HZ2 LYS A 132 55.363 17.124 -16.159 1.00 64.85 H ATOM 776 HZ3 LYS A 132 55.157 15.867 -16.850 1.00 64.85 H ATOM 777 N THR A 133 59.597 11.324 -12.699 1.00 48.42 N ATOM 778 CA THR A 133 59.035 9.945 -12.664 1.00 47.10 C ATOM 779 C THR A 133 59.552 9.086 -11.503 1.00 44.39 C ATOM 780 O THR A 133 59.125 7.949 -11.375 1.00 49.37 O ATOM 781 CB THR A 133 59.291 9.151 -14.026 1.00 47.66 C ATOM 782 OG1 THR A 133 60.709 8.894 -14.234 1.00 50.96 O ATOM 783 CG2 THR A 133 58.726 9.917 -15.232 1.00 48.66 C ATOM 784 H THR A 133 60.388 11.381 -13.030 1.00 58.11 H ATOM 785 HA THR A 133 58.074 10.018 -12.555 1.00 56.52 H ATOM 786 HB THR A 133 58.828 8.300 -13.977 1.00 57.19 H ATOM 787 HG1 THR A 133 61.130 9.620 -14.271 1.00 61.16 H ATOM 788 HG21 THR A 133 58.891 9.420 -16.048 1.00 58.40 H ATOM 789 HG22 THR A 133 57.770 10.042 -15.127 1.00 58.40 H ATOM 790 HG23 THR A 133 59.151 10.786 -15.301 1.00 58.40 H ATOM 791 N GLN A 134 60.471 9.604 -10.676 1.00 51.17 N ATOM 792 CA GLN A 134 61.013 8.856 -9.514 1.00 56.49 C ATOM 793 C GLN A 134 60.713 9.519 -8.164 1.00 53.97 C ATOM 794 O GLN A 134 61.019 8.945 -7.116 1.00 53.76 O ATOM 795 CB GLN A 134 62.537 8.675 -9.626 1.00 56.87 C ATOM 796 CG GLN A 134 62.974 8.086 -10.915 1.00 62.85 C ATOM 797 CD GLN A 134 63.822 6.892 -10.719 1.00 75.69 C ATOM 798 OE1 GLN A 134 65.005 7.017 -10.435 1.00 71.89 O ATOM 799 NE2 GLN A 134 63.223 5.706 -10.838 1.00 82.83 N ATOM 800 H GLN A 134 60.803 10.393 -10.762 1.00 61.40 H ATOM 801 HA GLN A 134 60.612 7.972 -9.502 1.00 67.79 H ATOM 802 HB2 GLN A 134 62.962 9.543 -9.537 1.00 68.25 H ATOM 803 HB3 GLN A 134 62.836 8.088 -8.914 1.00 68.25 H ATOM 804 HG2 GLN A 134 62.192 7.821 -11.425 1.00 75.42 H ATOM 805 HG3 GLN A 134 63.487 8.744 -11.409 1.00 75.42 H ATOM 806 HE21 GLN A 134 62.384 5.664 -11.020 1.00 99.39 H ATOM 807 HE22 GLN A 134 63.677 4.983 -10.732 1.00 99.39 H ATOM 808 N ARG A 135 60.108 10.704 -8.187 1.00 50.61 N ATOM 809 CA ARG A 135 59.961 11.509 -6.978 1.00 44.81 C ATOM 810 C ARG A 135 59.079 10.834 -5.948 1.00 47.08 C ATOM 811 O ARG A 135 59.225 11.109 -4.765 1.00 47.62 O ATOM 812 CB ARG A 135 59.408 12.913 -7.294 1.00 46.64 C ATOM 813 CG ARG A 135 58.100 12.904 -8.019 1.00 46.38 C ATOM 814 CD ARG A 135 57.679 14.286 -8.517 1.00 50.04 C ATOM 815 NE ARG A 135 56.304 14.249 -9.008 1.00 46.69 N ATOM 816 CZ ARG A 135 55.777 15.111 -9.869 1.00 39.14 C ATOM 817 NH1 ARG A 135 56.511 16.090 -10.381 1.00 40.47 N1+ ATOM 818 NH2 ARG A 135 54.507 14.984 -10.199 1.00 39.63 N ATOM 819 H ARG A 135 59.773 11.066 -8.892 1.00 60.73 H ATOM 820 HA ARG A 135 60.837 11.625 -6.579 1.00 53.77 H ATOM 821 HB2 ARG A 135 59.281 13.393 -6.461 1.00 55.97 H ATOM 822 HB3 ARG A 135 60.050 13.383 -7.848 1.00 55.97 H ATOM 823 HG2 ARG A 135 58.171 12.318 -8.789 1.00 55.65 H ATOM 824 HG3 ARG A 135 57.410 12.580 -7.419 1.00 55.65 H ATOM 825 HD2 ARG A 135 57.728 14.922 -7.787 1.00 60.05 H ATOM 826 HD3 ARG A 135 58.259 14.558 -9.245 1.00 60.05 H ATOM 827 HE ARG A 135 55.796 13.620 -8.717 1.00 56.03 H ATOM 828 HH11 ARG A 135 57.336 16.173 -10.152 1.00 48.57 H ATOM 829 HH12 ARG A 135 56.162 16.641 -10.941 1.00 48.57 H ATOM 830 HH21 ARG A 135 54.039 14.342 -9.868 1.00 47.56 H ATOM 831 HH22 ARG A 135 54.154 15.525 -10.767 1.00 47.56 H ATOM 832 N LYS A 136 58.170 9.960 -6.377 1.00 47.73 N ATOM 833 CA LYS A 136 57.317 9.222 -5.453 1.00 42.75 C ATOM 834 C LYS A 136 58.121 8.112 -4.741 1.00 51.45 C ATOM 835 O LYS A 136 57.777 7.635 -3.655 1.00 52.64 O ATOM 836 CB LYS A 136 56.144 8.558 -6.209 1.00 49.92 C ATOM 837 CG LYS A 136 55.016 9.424 -6.692 1.00 52.85 C ATOM 838 CD LYS A 136 53.950 8.494 -7.299 1.00 55.30 C ATOM 839 CE LYS A 136 52.841 9.277 -8.001 1.00 68.54 C ATOM 840 NZ LYS A 136 53.357 10.219 -9.067 1.00 57.84 N1+ ATOM 841 H LYS A 136 58.028 9.776 -7.205 1.00 57.27 H ATOM 842 HA LYS A 136 56.957 9.825 -4.785 1.00 51.30 H ATOM 843 HB2 LYS A 136 56.510 8.114 -6.990 1.00 59.90 H ATOM 844 HB3 LYS A 136 55.754 7.892 -5.623 1.00 59.90 H ATOM 845 HG2 LYS A 136 54.627 9.909 -5.948 1.00 63.42 H ATOM 846 HG3 LYS A 136 55.333 10.033 -7.378 1.00 63.42 H ATOM 847 HD2 LYS A 136 54.369 7.912 -7.952 1.00 66.37 H ATOM 848 HD3 LYS A 136 53.546 7.967 -6.592 1.00 66.37 H ATOM 849 HE2 LYS A 136 52.234 8.651 -8.425 1.00 82.25 H ATOM 850 HE3 LYS A 136 52.364 9.806 -7.342 1.00 82.25 H ATOM 851 HZ1 LYS A 136 52.677 10.651 -9.446 1.00 69.41 H ATOM 852 HZ2 LYS A 136 53.912 10.813 -8.705 1.00 69.41 H ATOM 853 HZ3 LYS A 136 53.793 9.760 -9.693 1.00 69.41 H ATOM 854 N ARG A 137 59.185 7.663 -5.381 1.00 53.40 N ATOM 855 CA ARG A 137 59.841 6.443 -4.924 1.00 61.72 C ATOM 856 C ARG A 137 60.511 6.608 -3.546 1.00 56.09 C ATOM 857 O ARG A 137 60.349 5.735 -2.685 1.00 51.68 O ATOM 858 CB ARG A 137 60.856 5.980 -5.967 1.00 61.88 C ATOM 859 CG ARG A 137 60.915 4.459 -6.141 1.00 82.39 C ATOM 860 CD ARG A 137 61.937 4.025 -7.211 1.00 87.95 C ATOM 861 NE ARG A 137 63.018 5.000 -7.372 1.00 94.64 N ATOM 862 CZ ARG A 137 64.144 5.032 -6.653 1.00 96.97 C ATOM 863 NH1 ARG A 137 64.361 4.121 -5.710 1.00 98.70 N1+ ATOM 864 NH2 ARG A 137 65.063 5.983 -6.884 1.00 84.19 N ATOM 865 H ARG A 137 59.545 8.034 -6.068 1.00 64.08 H ATOM 866 HA ARG A 137 59.171 5.747 -4.840 1.00 74.07 H ATOM 867 HB2 ARG A 137 60.622 6.368 -6.824 1.00 74.25 H ATOM 868 HB3 ARG A 137 61.738 6.282 -5.700 1.00 74.25 H ATOM 869 HG2 ARG A 137 61.172 4.054 -5.298 1.00 98.87 H ATOM 870 HG3 ARG A 137 60.041 4.137 -6.411 1.00 98.87 H ATOM 871 HD2 ARG A 137 62.331 3.178 -6.949 1.00105.54 H ATOM 872 HD3 ARG A 137 61.484 3.932 -8.063 1.00105.54 H ATOM 873 HE ARG A 137 62.920 5.601 -7.979 1.00113.57 H ATOM 874 HH11 ARG A 137 63.774 3.511 -5.557 1.00118.44 H ATOM 875 HH12 ARG A 137 65.088 4.142 -5.250 1.00118.44 H ATOM 876 HH21 ARG A 137 64.928 6.572 -7.495 1.00101.03 H ATOM 877 HH22 ARG A 137 65.790 5.999 -6.424 1.00101.03 H ATOM 878 N CYS A 138 61.247 7.706 -3.331 1.00 47.73 N ATOM 879 CA CYS A 138 61.906 7.964 -2.035 1.00 50.37 C ATOM 880 C CYS A 138 61.570 9.334 -1.396 1.00 44.67 C ATOM 881 O CYS A 138 62.241 10.348 -1.618 1.00 44.95 O ATOM 882 CB CYS A 138 63.449 7.832 -2.160 1.00 45.02 C ATOM 883 SG CYS A 138 64.232 7.902 -0.493 1.00 49.79 S ATOM 884 H CYS A 138 61.382 8.320 -3.919 1.00 57.28 H ATOM 885 HA CYS A 138 61.613 7.282 -1.411 1.00 60.44 H ATOM 886 HB2 CYS A 138 63.669 6.980 -2.569 1.00 54.02 H ATOM 887 HB3 CYS A 138 63.794 8.565 -2.694 1.00 54.02 H ATOM 888 N PRO A 139 60.528 9.364 -0.580 1.00 47.19 N ATOM 889 CA PRO A 139 60.232 10.621 0.100 1.00 47.33 C ATOM 890 C PRO A 139 61.410 11.156 0.870 1.00 45.68 C ATOM 891 O PRO A 139 61.579 12.372 0.897 1.00 41.88 O ATOM 892 CB PRO A 139 59.103 10.250 1.043 1.00 50.93 C ATOM 893 CG PRO A 139 58.491 9.064 0.435 1.00 46.15 C ATOM 894 CD PRO A 139 59.522 8.331 -0.297 1.00 45.47 C ATOM 895 HA PRO A 139 59.923 11.289 -0.533 1.00 56.80 H ATOM 896 HB2 PRO A 139 59.462 10.042 1.920 1.00 61.12 H ATOM 897 HB3 PRO A 139 58.465 10.979 1.095 1.00 61.12 H ATOM 898 HG2 PRO A 139 58.120 8.505 1.135 1.00 55.38 H ATOM 899 HG3 PRO A 139 57.789 9.346 -0.172 1.00 55.38 H ATOM 900 HD2 PRO A 139 59.900 7.632 0.259 1.00 54.56 H ATOM 901 HD3 PRO A 139 59.161 7.973 -1.123 1.00 54.56 H ATOM 902 N TYR A 140 62.235 10.285 1.450 1.00 46.57 N ATOM 903 CA TYR A 140 63.353 10.789 2.224 1.00 46.52 C ATOM 904 C TYR A 140 64.181 11.709 1.365 1.00 42.12 C ATOM 905 O TYR A 140 64.363 12.868 1.707 1.00 42.45 O ATOM 906 CB TYR A 140 64.240 9.677 2.764 1.00 52.93 C ATOM 907 CG TYR A 140 65.438 10.208 3.525 1.00 54.67 C ATOM 908 CD1 TYR A 140 65.370 10.482 4.894 1.00 51.52 C ATOM 909 CD2 TYR A 140 66.644 10.456 2.867 1.00 52.81 C ATOM 910 CE1 TYR A 140 66.492 10.974 5.583 1.00 54.44 C ATOM 911 CE2 TYR A 140 67.758 10.922 3.546 1.00 55.73 C ATOM 912 CZ TYR A 140 67.681 11.192 4.897 1.00 58.90 C ATOM 913 OH TYR A 140 68.816 11.675 5.531 1.00 65.06 O ATOM 914 H TYR A 140 62.169 9.429 1.412 1.00 55.88 H ATOM 915 HA TYR A 140 63.016 11.299 2.976 1.00 55.83 H ATOM 916 HB2 TYR A 140 63.721 9.124 3.369 1.00 63.52 H ATOM 917 HB3 TYR A 140 64.567 9.143 2.023 1.00 63.52 H ATOM 918 HD1 TYR A 140 64.577 10.332 5.354 1.00 61.83 H ATOM 919 HD2 TYR A 140 66.711 10.273 1.958 1.00 63.37 H ATOM 920 HE1 TYR A 140 66.440 11.149 6.495 1.00 65.33 H ATOM 921 HE2 TYR A 140 68.551 11.078 3.086 1.00 66.87 H ATOM 922 HH TYR A 140 69.444 11.750 4.978 1.00 78.07 H ATOM 923 N CYS A 141 64.710 11.175 0.274 1.00 45.10 N ATOM 924 CA CYS A 141 65.631 11.938 -0.559 1.00 43.24 C ATOM 925 C CYS A 141 64.891 13.069 -1.274 1.00 40.44 C ATOM 926 O CYS A 141 65.478 14.096 -1.544 1.00 47.12 O ATOM 927 CB CYS A 141 66.345 11.033 -1.553 1.00 54.55 C ATOM 928 SG CYS A 141 67.478 9.819 -0.772 1.00 51.12 S ATOM 929 H CYS A 141 64.554 10.378 -0.007 1.00 54.12 H ATOM 930 HA CYS A 141 66.305 12.340 0.011 1.00 51.88 H ATOM 931 HB2 CYS A 141 65.681 10.537 -2.056 1.00 65.45 H ATOM 932 HB3 CYS A 141 66.870 11.583 -2.155 1.00 65.45 H ATOM 933 N ARG A 142 63.584 12.940 -1.516 1.00 44.73 N ATOM 934 CA ARG A 142 62.870 14.081 -2.079 1.00 42.50 C ATOM 935 C ARG A 142 62.891 15.274 -1.084 1.00 43.36 C ATOM 936 O ARG A 142 63.162 16.395 -1.481 1.00 38.18 O ATOM 937 CB ARG A 142 61.458 13.694 -2.467 1.00 40.12 C ATOM 938 CG ARG A 142 60.628 14.830 -3.023 1.00 44.68 C ATOM 939 CD ARG A 142 59.206 14.355 -3.286 1.00 38.96 C ATOM 940 NE ARG A 142 58.501 15.210 -4.229 1.00 44.24 N ATOM 941 CZ ARG A 142 57.282 14.966 -4.711 1.00 43.42 C ATOM 942 NH1 ARG A 142 56.598 13.910 -4.305 1.00 44.89 N1+ ATOM 943 NH2 ARG A 142 56.731 15.812 -5.581 1.00 47.14 N ATOM 944 H ARG A 142 63.110 12.237 -1.371 1.00 53.68 H ATOM 945 HA ARG A 142 63.328 14.365 -2.886 1.00 51.00 H ATOM 946 HB2 ARG A 142 61.500 13.001 -3.144 1.00 48.14 H ATOM 947 HB3 ARG A 142 61.002 13.355 -1.680 1.00 48.14 H ATOM 948 HG2 ARG A 142 60.597 15.556 -2.380 1.00 53.61 H ATOM 949 HG3 ARG A 142 61.012 15.133 -3.861 1.00 53.61 H ATOM 950 HD2 ARG A 142 59.235 13.459 -3.656 1.00 46.75 H ATOM 951 HD3 ARG A 142 58.712 14.356 -2.451 1.00 46.75 H ATOM 952 HE ARG A 142 58.899 15.925 -4.494 1.00 53.08 H ATOM 953 HH11 ARG A 142 56.948 13.360 -3.744 1.00 53.87 H ATOM 954 HH12 ARG A 142 55.810 13.763 -4.615 1.00 53.87 H ATOM 955 HH21 ARG A 142 57.168 16.506 -5.842 1.00 56.57 H ATOM 956 HH22 ARG A 142 55.940 15.663 -5.883 1.00 56.57 H ATOM 957 N PHE A 143 62.622 15.026 0.198 1.00 42.40 N ATOM 958 CA PHE A 143 62.610 16.095 1.191 1.00 47.29 C ATOM 959 C PHE A 143 64.021 16.650 1.473 1.00 48.57 C ATOM 960 O PHE A 143 64.198 17.835 1.697 1.00 46.97 O ATOM 961 CB PHE A 143 61.981 15.601 2.496 1.00 44.43 C ATOM 962 CG PHE A 143 61.783 16.699 3.527 1.00 49.40 C ATOM 963 CD1 PHE A 143 60.888 17.731 3.296 1.00 48.13 C ATOM 964 CD2 PHE A 143 62.494 16.693 4.719 1.00 50.43 C ATOM 965 CE1 PHE A 143 60.688 18.745 4.242 1.00 48.12 C ATOM 966 CE2 PHE A 143 62.316 17.687 5.658 1.00 52.58 C ATOM 967 CZ PHE A 143 61.397 18.717 5.428 1.00 53.42 C ATOM 968 H PHE A 143 62.444 14.247 0.517 1.00 50.88 H ATOM 969 HA PHE A 143 62.065 16.825 0.856 1.00 56.74 H ATOM 970 HB2 PHE A 143 61.112 15.217 2.300 1.00 53.31 H ATOM 971 HB3 PHE A 143 62.559 14.927 2.887 1.00 53.31 H ATOM 972 HD1 PHE A 143 60.403 17.744 2.503 1.00 57.76 H ATOM 973 HD2 PHE A 143 63.100 16.007 4.887 1.00 60.51 H ATOM 974 HE1 PHE A 143 60.081 19.430 4.075 1.00 57.74 H ATOM 975 HE2 PHE A 143 62.797 17.664 6.454 1.00 63.10 H ATOM 976 HZ PHE A 143 61.280 19.391 6.059 1.00 64.10 H ATOM 977 N GLN A 144 65.014 15.774 1.497 1.00 45.35 N ATOM 978 CA GLN A 144 66.385 16.191 1.562 1.00 46.87 C ATOM 979 C GLN A 144 66.709 17.177 0.436 1.00 51.80 C ATOM 980 O GLN A 144 67.307 18.252 0.638 1.00 51.25 O ATOM 981 CB GLN A 144 67.271 14.975 1.457 1.00 50.29 C ATOM 982 CG GLN A 144 68.617 15.187 1.996 1.00 64.80 C ATOM 983 CD GLN A 144 68.691 14.937 3.489 1.00 69.43 C ATOM 984 OE1 GLN A 144 67.671 14.813 4.180 1.00 60.99 O ATOM 985 NE2 GLN A 144 69.912 14.840 3.991 1.00 72.14 N ATOM 986 H GLN A 144 64.909 14.921 1.477 1.00 54.41 H ATOM 987 HA GLN A 144 66.554 16.625 2.413 1.00 56.24 H ATOM 988 HB2 GLN A 144 66.863 14.246 1.950 1.00 60.35 H ATOM 989 HB3 GLN A 144 67.359 14.731 0.522 1.00 60.35 H ATOM 990 HG2 GLN A 144 69.232 14.579 1.559 1.00 77.75 H ATOM 991 HG3 GLN A 144 68.883 16.105 1.831 1.00 77.75 H ATOM 992 HE21 GLN A 144 70.596 14.919 3.476 1.00 86.56 H ATOM 993 HE22 GLN A 144 70.021 14.699 4.833 1.00 86.56 H ATOM 994 N LYS A 145 66.308 16.826 -0.773 1.00 47.17 N ATOM 995 CA LYS A 145 66.558 17.736 -1.888 1.00 46.62 C ATOM 996 C LYS A 145 65.738 19.034 -1.756 1.00 49.27 C ATOM 997 O LYS A 145 66.261 20.120 -2.055 1.00 48.52 O ATOM 998 CB LYS A 145 66.270 17.040 -3.220 1.00 47.81 C ATOM 999 CG LYS A 145 66.663 17.865 -4.421 1.00 50.18 C ATOM 1000 CD LYS A 145 66.777 17.010 -5.658 1.00 52.51 C ATOM 1001 CE LYS A 145 67.514 17.790 -6.758 1.00 47.53 C ATOM 1002 NZ LYS A 145 67.158 17.267 -8.113 1.00 53.73 N1+ ATOM 1003 H LYS A 145 65.904 16.095 -0.976 1.00 56.60 H ATOM 1004 HA LYS A 145 67.496 17.981 -1.882 1.00 55.94 H ATOM 1005 HB2 LYS A 145 66.767 16.208 -3.254 1.00 57.37 H ATOM 1006 HB3 LYS A 145 65.319 16.859 -3.281 1.00 57.37 H ATOM 1007 HG2 LYS A 145 65.987 18.542 -4.580 1.00 60.22 H ATOM 1008 HG3 LYS A 145 67.524 18.280 -4.257 1.00 60.22 H ATOM 1009 HD2 LYS A 145 67.284 16.208 -5.455 1.00 63.01 H ATOM 1010 HD3 LYS A 145 65.891 16.782 -5.980 1.00 63.01 H ATOM 1011 HE2 LYS A 145 67.260 18.725 -6.715 1.00 57.04 H ATOM 1012 HE3 LYS A 145 68.471 17.693 -6.635 1.00 57.04 H ATOM 1013 HZ1 LYS A 145 66.282 17.347 -8.250 1.00 64.47 H ATOM 1014 HZ2 LYS A 145 67.592 17.728 -8.740 1.00 64.47 H ATOM 1015 HZ3 LYS A 145 67.384 16.409 -8.177 1.00 64.47 H ATOM 1016 N CYS A 146 64.485 18.966 -1.301 1.00 43.66 N ATOM 1017 CA CYS A 146 63.763 20.225 -1.041 1.00 41.34 C ATOM 1018 C CYS A 146 64.568 21.143 -0.127 1.00 47.79 C ATOM 1019 O CYS A 146 64.646 22.361 -0.364 1.00 43.26 O ATOM 1020 CB CYS A 146 62.376 19.993 -0.414 1.00 44.48 C ATOM 1021 SG CYS A 146 61.100 19.141 -1.453 1.00 50.34 S ATOM 1022 H CYS A 146 64.044 18.245 -1.141 1.00 52.39 H ATOM 1023 HA CYS A 146 63.632 20.688 -1.883 1.00 49.61 H ATOM 1024 HB2 CYS A 146 62.494 19.457 0.386 1.00 53.37 H ATOM 1025 HB3 CYS A 146 62.011 20.857 -0.167 1.00 53.37 H ATOM 1026 HG CYS A 146 60.903 19.792 -2.442 1.00 60.41 H ATOM 1027 N LEU A 147 65.188 20.579 0.913 1.00 47.36 N ATOM 1028 CA LEU A 147 65.873 21.436 1.869 1.00 50.29 C ATOM 1029 C LEU A 147 67.074 22.036 1.169 1.00 55.96 C ATOM 1030 O LEU A 147 67.371 23.232 1.297 1.00 56.02 O ATOM 1031 CB LEU A 147 66.292 20.653 3.109 1.00 46.52 C ATOM 1032 CG LEU A 147 65.132 20.223 4.017 1.00 48.57 C ATOM 1033 CD1 LEU A 147 65.641 19.432 5.188 1.00 61.81 C ATOM 1034 CD2 LEU A 147 64.274 21.403 4.510 1.00 56.02 C ATOM 1035 H LEU A 147 65.225 19.736 1.080 1.00 56.83 H ATOM 1036 HA LEU A 147 65.282 22.155 2.142 1.00 60.35 H ATOM 1037 HB2 LEU A 147 66.757 19.850 2.827 1.00 55.83 H ATOM 1038 HB3 LEU A 147 66.888 21.207 3.638 1.00 55.83 H ATOM 1039 HG LEU A 147 64.549 19.639 3.507 1.00 58.29 H ATOM 1040 HD11 LEU A 147 64.889 19.173 5.745 1.00 74.18 H ATOM 1041 HD12 LEU A 147 66.098 18.642 4.860 1.00 74.18 H ATOM 1042 HD13 LEU A 147 66.256 19.983 5.698 1.00 74.18 H ATOM 1043 HD21 LEU A 147 63.564 21.062 5.076 1.00 67.22 H ATOM 1044 HD22 LEU A 147 64.836 22.012 5.016 1.00 67.22 H ATOM 1045 HD23 LEU A 147 63.897 21.861 3.743 1.00 67.22 H ATOM 1046 N SER A 148 67.728 21.171 0.404 1.00 51.35 N ATOM 1047 CA SER A 148 69.010 21.440 -0.214 1.00 51.12 C ATOM 1048 C SER A 148 68.896 22.553 -1.245 1.00 53.99 C ATOM 1049 O SER A 148 69.793 23.390 -1.377 1.00 54.59 O ATOM 1050 CB SER A 148 69.541 20.149 -0.854 1.00 55.23 C ATOM 1051 OG SER A 148 70.554 20.444 -1.782 1.00 68.59 O ATOM 1052 H SER A 148 67.431 20.385 0.224 1.00 61.62 H ATOM 1053 HA SER A 148 69.640 21.721 0.467 1.00 61.34 H ATOM 1054 HB2 SER A 148 69.902 19.576 -0.160 1.00 66.27 H ATOM 1055 HB3 SER A 148 68.813 19.699 -1.312 1.00 66.27 H ATOM 1056 HG SER A 148 70.841 19.735 -2.129 1.00 82.31 H ATOM 1057 N VAL A 149 67.786 22.598 -1.963 1.00 54.72 N ATOM 1058 CA VAL A 149 67.656 23.628 -2.968 1.00 49.75 C ATOM 1059 C VAL A 149 67.188 24.933 -2.331 1.00 53.43 C ATOM 1060 O VAL A 149 67.104 25.960 -3.012 1.00 55.49 O ATOM 1061 CB VAL A 149 66.715 23.203 -4.095 1.00 45.28 C ATOM 1062 CG1 VAL A 149 67.257 21.932 -4.745 1.00 49.39 C ATOM 1063 CG2 VAL A 149 65.252 23.047 -3.607 1.00 45.66 C ATOM 1064 H VAL A 149 67.117 22.063 -1.891 1.00 65.66 H ATOM 1065 HA VAL A 149 68.528 23.790 -3.360 1.00 59.70 H ATOM 1066 HB VAL A 149 66.719 23.897 -4.773 1.00 54.33 H ATOM 1067 HG11 VAL A 149 66.659 21.664 -5.459 1.00 59.26 H ATOM 1068 HG12 VAL A 149 68.140 22.113 -5.102 1.00 59.26 H ATOM 1069 HG13 VAL A 149 67.307 21.233 -4.075 1.00 59.26 H ATOM 1070 HG21 VAL A 149 64.697 22.778 -4.355 1.00 54.79 H ATOM 1071 HG22 VAL A 149 65.223 22.371 -2.912 1.00 54.79 H ATOM 1072 HG23 VAL A 149 64.945 23.898 -3.255 1.00 54.79 H ATOM 1073 N GLY A 150 66.877 24.880 -1.034 1.00 51.98 N ATOM 1074 CA GLY A 150 66.465 26.056 -0.283 1.00 52.90 C ATOM 1075 C GLY A 150 64.994 26.282 0.049 1.00 54.53 C ATOM 1076 O GLY A 150 64.650 27.400 0.422 1.00 51.55 O ATOM 1077 H GLY A 150 66.900 24.161 -0.563 1.00 62.38 H ATOM 1078 HA2 GLY A 150 66.944 26.050 0.561 1.00 63.48 H ATOM 1079 HA3 GLY A 150 66.764 26.838 -0.773 1.00 63.48 H ATOM 1080 N MET A 151 64.110 25.282 -0.053 1.00 48.94 N ATOM 1081 CA MET A 151 62.744 25.499 0.445 1.00 53.02 C ATOM 1082 C MET A 151 62.776 25.803 1.972 1.00 48.54 C ATOM 1083 O MET A 151 63.560 25.206 2.728 1.00 51.81 O ATOM 1084 CB MET A 151 61.839 24.293 0.119 1.00 48.51 C ATOM 1085 CG MET A 151 61.692 24.140 -1.367 1.00 48.70 C ATOM 1086 SD MET A 151 60.625 22.815 -1.866 1.00 48.65 S ATOM 1087 CE MET A 151 59.042 23.443 -1.391 1.00 41.46 C ATOM 1088 H MET A 151 64.265 24.506 -0.389 1.00 58.73 H ATOM 1089 HA MET A 151 62.372 26.270 -0.012 1.00 63.63 H ATOM 1090 HB2 MET A 151 62.238 23.483 0.474 1.00 58.21 H ATOM 1091 HB3 MET A 151 60.959 24.434 0.502 1.00 58.21 H ATOM 1092 HG2 MET A 151 61.329 24.963 -1.729 1.00 58.44 H ATOM 1093 HG3 MET A 151 62.568 23.973 -1.749 1.00 58.44 H ATOM 1094 HE1 MET A 151 58.362 22.791 -1.620 1.00 49.75 H ATOM 1095 HE2 MET A 151 59.040 23.602 -0.434 1.00 49.75 H ATOM 1096 HE3 MET A 151 58.877 24.273 -1.865 1.00 49.75 H ATOM 1097 N LYS A 152 61.908 26.709 2.409 1.00 44.89 N ATOM 1098 CA LYS A 152 61.955 27.255 3.777 1.00 49.28 C ATOM 1099 C LYS A 152 60.883 26.731 4.696 1.00 44.09 C ATOM 1100 O LYS A 152 59.688 26.973 4.487 1.00 45.16 O ATOM 1101 CB LYS A 152 61.863 28.790 3.709 1.00 54.70 C ATOM 1102 CG LYS A 152 62.870 29.360 2.691 1.00 53.25 C ATOM 1103 CD LYS A 152 63.559 30.620 3.145 1.00 72.30 C ATOM 1104 CE LYS A 152 64.903 30.811 2.441 1.00 67.91 C ATOM 1105 NZ LYS A 152 65.862 29.717 2.785 1.00 68.88 N1+ ATOM 1106 H LYS A 152 61.271 27.032 1.931 1.00 53.87 H ATOM 1107 HA LYS A 152 62.813 27.029 4.170 1.00 59.13 H ATOM 1108 HB2 LYS A 152 60.970 29.047 3.432 1.00 65.64 H ATOM 1109 HB3 LYS A 152 62.066 29.163 4.581 1.00 65.64 H ATOM 1110 HG2 LYS A 152 63.554 28.693 2.523 1.00 63.90 H ATOM 1111 HG3 LYS A 152 62.399 29.562 1.867 1.00 63.90 H ATOM 1112 HD2 LYS A 152 62.998 31.384 2.939 1.00 86.76 H ATOM 1113 HD3 LYS A 152 63.721 30.570 4.100 1.00 86.76 H ATOM 1114 HE2 LYS A 152 64.765 30.803 1.481 1.00 81.49 H ATOM 1115 HE3 LYS A 152 65.293 31.655 2.718 1.00 81.49 H ATOM 1116 HZ1 LYS A 152 66.008 29.706 3.662 1.00 82.65 H ATOM 1117 HZ2 LYS A 152 65.528 28.931 2.536 1.00 82.65 H ATOM 1118 HZ3 LYS A 152 66.636 29.848 2.365 1.00 82.65 H ATOM 1119 N LEU A 153 61.316 26.004 5.715 1.00 43.54 N ATOM 1120 CA LEU A 153 60.435 25.558 6.789 1.00 46.07 C ATOM 1121 C LEU A 153 59.581 26.671 7.409 1.00 47.21 C ATOM 1122 O LEU A 153 58.422 26.433 7.780 1.00 48.61 O ATOM 1123 CB LEU A 153 61.273 24.885 7.860 1.00 48.21 C ATOM 1124 CG LEU A 153 61.895 23.571 7.375 1.00 56.97 C ATOM 1125 CD1 LEU A 153 63.106 23.178 8.190 1.00 54.95 C ATOM 1126 CD2 LEU A 153 60.861 22.497 7.432 1.00 50.66 C ATOM 1127 H LEU A 153 62.132 25.749 5.810 1.00 52.25 H ATOM 1128 HA LEU A 153 59.828 24.891 6.432 1.00 55.29 H ATOM 1129 HB2 LEU A 153 61.993 25.481 8.121 1.00 57.85 H ATOM 1130 HB3 LEU A 153 60.710 24.688 8.626 1.00 57.85 H ATOM 1131 HG LEU A 153 62.173 23.674 6.452 1.00 68.37 H ATOM 1132 HD11 LEU A 153 63.461 22.344 7.844 1.00 65.94 H ATOM 1133 HD12 LEU A 153 63.774 23.878 8.118 1.00 65.94 H ATOM 1134 HD13 LEU A 153 62.840 23.067 9.116 1.00 65.94 H ATOM 1135 HD21 LEU A 153 61.255 21.665 7.125 1.00 60.79 H ATOM 1136 HD22 LEU A 153 60.556 22.401 8.348 1.00 60.79 H ATOM 1137 HD23 LEU A 153 60.118 22.743 6.859 1.00 60.79 H ATOM 1138 N GLU A 154 60.141 27.886 7.492 1.00 48.08 N ATOM 1139 CA GLU A 154 59.457 29.039 8.081 1.00 50.36 C ATOM 1140 C GLU A 154 58.274 29.544 7.273 1.00 49.94 C ATOM 1141 O GLU A 154 57.384 30.203 7.833 1.00 54.29 O ATOM 1142 CB GLU A 154 60.426 30.217 8.248 1.00 59.05 C ATOM 1143 CG GLU A 154 61.794 29.844 8.738 1.00 65.45 C ATOM 1144 CD GLU A 154 62.820 29.653 7.606 1.00 68.97 C ATOM 1145 OE1 GLU A 154 63.765 30.475 7.522 1.00 75.18 O ATOM 1146 OE2 GLU A 154 62.712 28.658 6.844 1.00 65.27 O1- ATOM 1147 H GLU A 154 60.932 28.067 7.207 1.00 57.70 H ATOM 1148 HA GLU A 154 59.132 28.793 8.961 1.00 60.44 H ATOM 1149 HB2 GLU A 154 60.532 30.655 7.389 1.00 70.85 H ATOM 1150 HB3 GLU A 154 60.046 30.841 8.886 1.00 70.85 H ATOM 1151 HG2 GLU A 154 62.121 30.548 9.320 1.00 78.54 H ATOM 1152 HG3 GLU A 154 61.735 29.011 9.230 1.00 78.54 H ATOM 1153 N ALA A 155 58.248 29.282 5.966 1.00 44.09 N ATOM 1154 CA ALA A 155 57.051 29.663 5.180 1.00 45.14 C ATOM 1155 C ALA A 155 55.873 28.700 5.390 1.00 43.86 C ATOM 1156 O ALA A 155 54.761 28.979 4.938 1.00 48.32 O ATOM 1157 CB ALA A 155 57.378 29.741 3.735 1.00 44.03 C ATOM 1158 H ALA A 155 58.876 28.901 5.518 1.00 52.91 H ATOM 1159 HA ALA A 155 56.763 30.545 5.464 1.00 54.17 H ATOM 1160 HB1 ALA A 155 56.580 29.992 3.244 1.00 52.84 H ATOM 1161 HB2 ALA A 155 58.071 30.408 3.605 1.00 52.84 H ATOM 1162 HB3 ALA A 155 57.693 28.874 3.436 1.00 52.84 H ATOM 1163 N VAL A 156 56.108 27.553 6.036 1.00 46.70 N ATOM 1164 CA VAL A 156 54.994 26.683 6.486 1.00 43.52 C ATOM 1165 C VAL A 156 54.472 27.257 7.805 1.00 46.06 C ATOM 1166 O VAL A 156 55.263 27.448 8.741 1.00 39.65 O ATOM 1167 CB VAL A 156 55.451 25.239 6.694 1.00 44.55 C ATOM 1168 CG1 VAL A 156 54.260 24.319 6.993 1.00 42.70 C ATOM 1169 CG2 VAL A 156 56.210 24.747 5.466 1.00 47.14 C ATOM 1170 H VAL A 156 56.891 27.253 6.227 1.00 56.04 H ATOM 1171 HA VAL A 156 54.279 26.695 5.831 1.00 52.22 H ATOM 1172 HB VAL A 156 56.054 25.205 7.453 1.00 53.46 H ATOM 1173 HG11 VAL A 156 54.585 23.413 7.119 1.00 51.24 H ATOM 1174 HG12 VAL A 156 53.818 24.627 7.799 1.00 51.24 H ATOM 1175 HG13 VAL A 156 53.643 24.348 6.245 1.00 51.24 H ATOM 1176 HG21 VAL A 156 56.492 23.831 5.616 1.00 56.57 H ATOM 1177 HG22 VAL A 156 55.625 24.792 4.694 1.00 56.57 H ATOM 1178 HG23 VAL A 156 56.986 25.313 5.327 1.00 56.57 H ATOM 1179 N ARG A 157 53.179 27.574 7.878 1.00 42.43 N ATOM 1180 CA ARG A 157 52.661 28.343 9.016 1.00 43.45 C ATOM 1181 C ARG A 157 52.148 27.423 10.129 1.00 46.94 C ATOM 1182 O ARG A 157 51.351 26.519 9.883 1.00 48.97 O ATOM 1183 CB ARG A 157 51.551 29.288 8.563 1.00 40.46 C ATOM 1184 CG ARG A 157 51.944 30.208 7.419 1.00 47.60 C ATOM 1185 CD ARG A 157 50.729 30.981 6.888 1.00 47.44 C ATOM 1186 NE ARG A 157 51.020 31.789 5.700 1.00 51.46 N ATOM 1187 CZ ARG A 157 50.116 32.491 4.992 1.00 47.78 C ATOM 1188 NH1 ARG A 157 48.836 32.525 5.335 1.00 49.27 N1+ ATOM 1189 NH2 ARG A 157 50.503 33.200 3.925 1.00 52.59 N ATOM 1190 H ARG A 157 52.587 27.360 7.292 1.00 50.91 H ATOM 1191 HA ARG A 157 53.379 28.882 9.383 1.00 52.14 H ATOM 1192 HB2 ARG A 157 50.793 28.759 8.269 1.00 48.56 H ATOM 1193 HB3 ARG A 157 51.291 29.845 9.313 1.00 48.56 H ATOM 1194 HG2 ARG A 157 52.600 30.850 7.733 1.00 57.12 H ATOM 1195 HG3 ARG A 157 52.311 29.680 6.693 1.00 57.12 H ATOM 1196 HD2 ARG A 157 50.034 30.347 6.653 1.00 56.93 H ATOM 1197 HD3 ARG A 157 50.410 31.578 7.583 1.00 56.93 H ATOM 1198 HE ARG A 157 51.837 31.817 5.433 1.00 61.75 H ATOM 1199 HH11 ARG A 157 48.562 32.081 6.018 1.00 59.12 H ATOM 1200 HH12 ARG A 157 48.277 32.983 4.868 1.00 59.12 H ATOM 1201 HH21 ARG A 157 51.328 33.198 3.683 1.00 63.11 H ATOM 1202 HH22 ARG A 157 49.924 33.650 3.475 1.00 63.11 H ATOM 1203 N ALA A 158 52.629 27.664 11.344 1.00 50.88 N ATOM 1204 CA ALA A 158 52.276 26.861 12.514 1.00 48.83 C ATOM 1205 C ALA A 158 50.800 26.973 12.845 1.00 49.30 C ATOM 1206 O ALA A 158 50.177 25.982 13.195 1.00 50.49 O ATOM 1207 CB ALA A 158 53.109 27.288 13.717 1.00 49.31 C ATOM 1208 H ALA A 158 53.175 28.304 11.522 1.00 61.05 H ATOM 1209 HA ALA A 158 52.472 25.929 12.328 1.00 58.59 H ATOM 1210 HB1 ALA A 158 52.861 26.745 14.481 1.00 59.18 H ATOM 1211 HB2 ALA A 158 54.048 27.161 13.511 1.00 59.18 H ATOM 1212 HB3 ALA A 158 52.935 28.224 13.905 1.00 59.18 H ATOM 1213 N ASP A 159 50.240 28.165 12.728 1.00 50.50 N ATOM 1214 CA ASP A 159 48.822 28.360 13.049 1.00 58.56 C ATOM 1215 C ASP A 159 47.885 28.123 11.855 1.00 59.19 C ATOM 1216 O ASP A 159 46.682 28.333 11.978 1.00 60.37 O ATOM 1217 CB ASP A 159 48.589 29.762 13.630 1.00 64.93 C ATOM 1218 CG ASP A 159 48.920 30.883 12.649 1.00 77.10 C ATOM 1219 OD1 ASP A 159 49.343 30.609 11.497 1.00 67.34 O ATOM 1220 OD2 ASP A 159 48.767 32.062 13.052 1.00 89.32 O1- ATOM 1221 H ASP A 159 50.647 28.875 12.467 1.00 60.60 H ATOM 1222 HA ASP A 159 48.577 27.721 13.736 1.00 70.27 H ATOM 1223 HB2 ASP A 159 47.656 29.849 13.878 1.00 77.92 H ATOM 1224 HB3 ASP A 159 49.151 29.875 14.412 1.00 77.92 H ATOM 1225 N ARG A 160 48.414 27.647 10.719 1.00 54.29 N ATOM 1226 CA ARG A 160 47.564 27.256 9.573 1.00 56.70 C ATOM 1227 C ARG A 160 46.680 28.419 9.009 1.00 61.85 C ATOM 1228 O ARG A 160 45.643 28.164 8.376 1.00 56.10 O ATOM 1229 CB ARG A 160 46.641 26.060 9.959 1.00 56.84 C ATOM 1230 CG ARG A 160 47.296 24.688 10.046 1.00 55.20 C ATOM 1231 CD ARG A 160 46.286 23.581 10.375 1.00 55.54 C ATOM 1232 NE ARG A 160 46.966 22.304 10.649 1.00 62.17 N ATOM 1233 CZ ARG A 160 47.124 21.307 9.768 1.00 67.20 C ATOM 1234 NH1 ARG A 160 46.625 21.394 8.530 1.00 65.83 N1+ ATOM 1235 NH2 ARG A 160 47.774 20.200 10.133 1.00 60.26 N ATOM 1236 H ARG A 160 49.256 27.540 10.583 1.00 65.15 H ATOM 1237 HA ARG A 160 48.142 26.956 8.854 1.00 68.04 H ATOM 1238 HB2 ARG A 160 46.252 26.247 10.828 1.00 68.21 H ATOM 1239 HB3 ARG A 160 45.933 25.999 9.299 1.00 68.21 H ATOM 1240 HG2 ARG A 160 47.706 24.478 9.192 1.00 66.24 H ATOM 1241 HG3 ARG A 160 47.969 24.701 10.745 1.00 66.24 H ATOM 1242 HD2 ARG A 160 45.781 23.832 11.164 1.00 66.65 H ATOM 1243 HD3 ARG A 160 45.691 23.454 9.620 1.00 66.65 H ATOM 1244 HE ARG A 160 47.287 22.189 11.438 1.00 74.61 H ATOM 1245 HH11 ARG A 160 46.207 22.104 8.283 1.00 78.99 H ATOM 1246 HH12 ARG A 160 46.730 20.743 7.977 1.00 78.99 H ATOM 1247 HH21 ARG A 160 48.093 20.131 10.929 1.00 72.31 H ATOM 1248 HH22 ARG A 160 47.869 19.553 9.575 1.00 72.31 H ATOM 1249 N MET A 161 47.070 29.679 9.220 1.00 61.54 N ATOM 1250 CA MET A 161 46.328 30.777 8.602 1.00 64.84 C ATOM 1251 C MET A 161 46.471 30.714 7.062 1.00 59.35 C ATOM 1252 O MET A 161 47.536 30.434 6.492 1.00 47.04 O ATOM 1253 CB MET A 161 46.778 32.154 9.145 1.00 71.25 C ATOM 1254 CG MET A 161 46.313 32.477 10.603 1.00102.98 C ATOM 1255 SD MET A 161 44.510 32.558 10.951 1.00 99.96 S ATOM 1256 CE MET A 161 44.497 32.689 12.762 1.00111.94 C ATOM 1257 H MET A 161 47.741 29.919 9.702 1.00 73.85 H ATOM 1258 HA MET A 161 45.390 30.673 8.825 1.00 77.81 H ATOM 1259 HB2 MET A 161 47.748 32.188 9.133 1.00 85.50 H ATOM 1260 HB3 MET A 161 46.422 32.846 8.565 1.00 85.50 H ATOM 1261 HG2 MET A 161 46.681 31.797 11.188 1.00123.57 H ATOM 1262 HG3 MET A 161 46.685 33.339 10.848 1.00123.57 H ATOM 1263 HE1 MET A 161 43.577 32.739 13.068 1.00134.32 H ATOM 1264 HE2 MET A 161 44.928 31.906 13.138 1.00134.32 H ATOM 1265 HE3 MET A 161 44.977 33.490 13.024 1.00134.32 H ATOM 1266 N ARG A 162 45.353 30.941 6.395 1.00 58.67 N ATOM 1267 CA ARG A 162 45.334 30.994 4.946 1.00 58.00 C ATOM 1268 C ARG A 162 45.574 32.411 4.428 1.00 50.22 C ATOM 1269 O ARG A 162 45.457 33.365 5.183 1.00 53.74 O ATOM 1270 CB ARG A 162 44.011 30.504 4.465 1.00 55.40 C ATOM 1271 CG ARG A 162 44.056 29.429 3.419 1.00 59.00 C ATOM 1272 CD ARG A 162 42.750 28.769 3.619 1.00 57.14 C ATOM 1273 NE ARG A 162 42.130 28.168 2.469 1.00 55.98 N ATOM 1274 CZ ARG A 162 40.866 27.753 2.516 1.00 56.91 C ATOM 1275 NH1 ARG A 162 40.199 27.910 3.652 1.00 57.63 N1+ ATOM 1276 NH2 ARG A 162 40.267 27.177 1.462 1.00 60.22 N ATOM 1277 H ARG A 162 44.586 31.068 6.761 1.00 70.41 H ATOM 1278 HA ARG A 162 46.026 30.415 4.590 1.00 69.60 H ATOM 1279 HB2 ARG A 162 43.522 30.150 5.224 1.00 66.48 H ATOM 1280 HB3 ARG A 162 43.524 31.255 4.090 1.00 66.48 H ATOM 1281 HG2 ARG A 162 44.103 29.810 2.528 1.00 70.80 H ATOM 1282 HG3 ARG A 162 44.776 28.803 3.591 1.00 70.80 H ATOM 1283 HD2 ARG A 162 42.866 28.068 4.279 1.00 68.57 H ATOM 1284 HD3 ARG A 162 42.129 29.430 3.963 1.00 68.57 H ATOM 1285 HE ARG A 162 42.472 28.331 1.696 1.00 67.17 H ATOM 1286 HH11 ARG A 162 40.583 28.275 4.330 1.00 69.15 H ATOM 1287 HH12 ARG A 162 39.381 27.651 3.711 1.00 69.15 H ATOM 1288 HH21 ARG A 162 40.699 27.075 0.725 1.00 72.26 H ATOM 1289 HH22 ARG A 162 39.449 26.920 1.520 1.00 72.26 H ATOM 1290 N GLY A 163 45.903 32.519 3.140 1.00 51.09 N ATOM 1291 CA GLY A 163 45.947 33.797 2.446 1.00 51.39 C ATOM 1292 C GLY A 163 46.969 34.828 2.921 1.00 47.68 C ATOM 1293 O GLY A 163 48.021 34.511 3.503 1.00 45.22 O ATOM 1294 H GLY A 163 46.109 31.850 2.641 1.00 61.30 H ATOM 1295 HA2 GLY A 163 46.123 33.627 1.507 1.00 61.67 H ATOM 1296 HA3 GLY A 163 45.071 34.208 2.510 1.00 61.67 H ATOM 1297 N GLY A 164 46.672 36.088 2.635 1.00 50.94 N ATOM 1298 CA GLY A 164 47.604 37.159 2.947 1.00 48.05 C ATOM 1299 C GLY A 164 48.952 37.024 2.263 1.00 49.76 C ATOM 1300 O GLY A 164 49.037 36.455 1.178 1.00 56.34 O ATOM 1301 H GLY A 164 45.941 36.348 2.263 1.00 61.12 H ATOM 1302 HA2 GLY A 164 47.214 38.006 2.681 1.00 57.66 H ATOM 1303 HA3 GLY A 164 47.752 37.181 3.905 1.00 57.66 H ATOM 1304 N ARG A 165 50.005 37.497 2.936 1.00 53.90 N ATOM 1305 CA ARG A 165 51.391 37.543 2.446 1.00 56.21 C ATOM 1306 C ARG A 165 52.422 37.367 3.536 1.00 62.80 C ATOM 1307 O ARG A 165 52.395 38.115 4.509 1.00 63.62 O ATOM 1308 CB ARG A 165 51.712 38.886 1.843 1.00 57.44 C ATOM 1309 CG ARG A 165 51.390 39.013 0.456 1.00 57.65 C ATOM 1310 CD ARG A 165 52.273 38.217 -0.452 1.00 59.07 C ATOM 1311 NE ARG A 165 51.537 38.273 -1.693 1.00 63.14 N ATOM 1312 CZ ARG A 165 50.726 37.335 -2.155 1.00 60.42 C ATOM 1313 NH1 ARG A 165 50.601 36.158 -1.546 1.00 55.54 N1+ ATOM 1314 NH2 ARG A 165 50.061 37.579 -3.276 1.00 66.25 N ATOM 1315 H ARG A 165 49.935 37.818 3.731 1.00 64.68 H ATOM 1316 HA ARG A 165 51.526 36.857 1.774 1.00 67.46 H ATOM 1317 HB2 ARG A 165 51.215 39.567 2.323 1.00 68.93 H ATOM 1318 HB3 ARG A 165 52.663 39.049 1.939 1.00 68.93 H ATOM 1319 HG2 ARG A 165 50.478 38.713 0.320 1.00 69.18 H ATOM 1320 HG3 ARG A 165 51.469 39.946 0.203 1.00 69.18 H ATOM 1321 HD2 ARG A 165 53.138 38.642 -0.559 1.00 70.89 H ATOM 1322 HD3 ARG A 165 52.347 37.298 -0.151 1.00 70.89 H ATOM 1323 HE ARG A 165 51.634 38.979 -2.175 1.00 75.77 H ATOM 1324 HH11 ARG A 165 51.020 36.008 -0.810 1.00 66.65 H ATOM 1325 HH12 ARG A 165 50.082 35.556 -1.875 1.00 66.65 H ATOM 1326 HH21 ARG A 165 50.162 38.331 -3.681 1.00 79.50 H ATOM 1327 HH22 ARG A 165 49.560 36.970 -3.620 1.00 79.50 H ATOM 1328 N ASN A 166 53.375 36.458 3.356 1.00 61.41 N ATOM 1329 CA ASN A 166 54.349 36.220 4.410 1.00 65.34 C ATOM 1330 C ASN A 166 55.498 37.238 4.287 1.00 70.42 C ATOM 1331 O ASN A 166 55.374 38.210 3.523 1.00 65.85 O ATOM 1332 CB ASN A 166 54.845 34.769 4.370 1.00 56.16 C ATOM 1333 CG ASN A 166 55.564 34.416 3.071 1.00 63.17 C ATOM 1334 OD1 ASN A 166 55.955 35.287 2.284 1.00 64.19 O ATOM 1335 ND2 ASN A 166 55.740 33.125 2.845 1.00 59.08 N ATOM 1336 H ASN A 166 53.477 35.978 2.651 1.00 73.70 H ATOM 1337 HA ASN A 166 53.921 36.362 5.268 1.00 78.41 H ATOM 1338 HB2 ASN A 166 55.465 34.628 5.102 1.00 67.39 H ATOM 1339 HB3 ASN A 166 54.084 34.175 4.461 1.00 67.39 H ATOM 1340 HD21 ASN A 166 56.139 32.865 2.129 1.00 70.90 H ATOM 1341 HD22 ASN A 166 55.456 32.546 3.414 1.00 70.90 H ATOM 1342 N LYS A 167 56.586 37.010 5.042 1.00 75.83 N ATOM 1343 CA LYS A 167 57.750 37.919 5.095 1.00 77.16 C ATOM 1344 C LYS A 167 58.709 37.716 3.920 1.00 77.72 C ATOM 1345 O LYS A 167 59.718 38.412 3.810 1.00 84.45 O ATOM 1346 CB LYS A 167 58.520 37.752 6.425 1.00 76.39 C ATOM 1347 CG LYS A 167 59.440 36.513 6.527 1.00 81.16 C ATOM 1348 CD LYS A 167 60.325 36.539 7.792 1.00 78.94 C ATOM 1349 CE LYS A 167 61.265 35.340 7.859 1.00 81.17 C ATOM 1350 NZ LYS A 167 62.345 35.483 8.892 1.00 78.98 N1+ ATOM 1351 H LYS A 167 56.675 36.319 5.546 1.00 90.99 H ATOM 1352 HA LYS A 167 57.429 38.834 5.055 1.00 92.59 H ATOM 1353 HB2 LYS A 167 59.076 38.536 6.556 1.00 91.67 H ATOM 1354 HB3 LYS A 167 57.874 37.691 7.146 1.00 91.67 H ATOM 1355 HG2 LYS A 167 58.893 35.713 6.559 1.00 97.39 H ATOM 1356 HG3 LYS A 167 60.023 36.487 5.752 1.00 97.39 H ATOM 1357 HD2 LYS A 167 60.864 37.346 7.786 1.00 94.73 H ATOM 1358 HD3 LYS A 167 59.757 36.523 8.578 1.00 94.73 H ATOM 1359 HE2 LYS A 167 60.749 34.548 8.077 1.00 97.40 H ATOM 1360 HE3 LYS A 167 61.693 35.227 6.996 1.00 97.40 H ATOM 1361 HZ1 LYS A 167 62.864 34.760 8.892 1.00 94.78 H ATOM 1362 HZ2 LYS A 167 62.844 36.198 8.713 1.00 94.78 H ATOM 1363 HZ3 LYS A 167 61.983 35.578 9.700 1.00 94.78 H ATOM 1364 N PHE A 168 58.392 36.754 3.052 1.00 76.97 N ATOM 1365 CA PHE A 168 59.164 36.501 1.827 1.00 80.12 C ATOM 1366 C PHE A 168 58.557 37.190 0.614 1.00 71.92 C ATOM 1367 O PHE A 168 59.165 37.196 -0.448 1.00 69.09 O ATOM 1368 CB PHE A 168 59.262 34.988 1.537 1.00 76.15 C ATOM 1369 CG PHE A 168 59.977 34.213 2.602 1.00 77.17 C ATOM 1370 CD1 PHE A 168 61.349 34.310 2.743 1.00 79.38 C ATOM 1371 CD2 PHE A 168 59.274 33.399 3.475 1.00 67.35 C ATOM 1372 CE1 PHE A 168 61.999 33.606 3.724 1.00 72.76 C ATOM 1373 CE2 PHE A 168 59.926 32.703 4.461 1.00 65.14 C ATOM 1374 CZ PHE A 168 61.294 32.798 4.576 1.00 72.26 C ATOM 1375 H PHE A 168 57.722 36.223 3.150 1.00 92.37 H ATOM 1376 HA PHE A 168 60.064 36.843 1.946 1.00 96.15 H ATOM 1377 HB2 PHE A 168 58.365 34.627 1.459 1.00 91.38 H ATOM 1378 HB3 PHE A 168 59.742 34.860 0.704 1.00 91.38 H ATOM 1379 HD1 PHE A 168 61.835 34.853 2.165 1.00 95.25 H ATOM 1380 HD2 PHE A 168 58.350 33.329 3.397 1.00 80.82 H ATOM 1381 HE1 PHE A 168 62.922 33.673 3.808 1.00 87.32 H ATOM 1382 HE2 PHE A 168 59.447 32.153 5.038 1.00 78.16 H ATOM 1383 HZ PHE A 168 61.738 32.325 5.243 1.00 86.72 H ATOM 1384 N GLY A 169 57.340 37.711 0.774 1.00 76.31 N ATOM 1385 CA GLY A 169 56.660 38.435 -0.285 1.00 80.39 C ATOM 1386 C GLY A 169 57.601 39.429 -0.948 1.00 85.26 C ATOM 1387 O GLY A 169 57.655 39.516 -2.180 1.00 76.78 O ATOM 1388 H GLY A 169 56.885 37.655 1.501 1.00 91.57 H ATOM 1389 HA2 GLY A 169 56.339 37.812 -0.956 1.00 96.47 H ATOM 1390 HA3 GLY A 169 55.902 38.918 0.081 1.00 96.47 H ATOM 1391 N PRO A 170 58.361 40.179 -0.132 1.00 83.71 N ATOM 1392 CA PRO A 170 59.360 41.067 -0.744 1.00 89.64 C ATOM 1393 C PRO A 170 60.621 40.337 -1.254 1.00 87.70 C ATOM 1394 O PRO A 170 61.282 40.862 -2.136 1.00 93.18 O ATOM 1395 CB PRO A 170 59.703 42.052 0.391 1.00 89.27 C ATOM 1396 CG PRO A 170 58.565 41.927 1.389 1.00 91.16 C ATOM 1397 CD PRO A 170 58.139 40.488 1.294 1.00 83.78 C ATOM 1398 HA PRO A 170 58.961 41.559 -1.479 1.00107.57 H ATOM 1399 HB2 PRO A 170 60.545 41.798 0.799 1.00107.12 H ATOM 1400 HB3 PRO A 170 59.750 42.954 0.038 1.00107.12 H ATOM 1401 HG2 PRO A 170 58.885 42.133 2.281 1.00109.39 H ATOM 1402 HG3 PRO A 170 57.839 42.519 1.136 1.00109.39 H ATOM 1403 HD2 PRO A 170 58.700 39.929 1.854 1.00100.54 H ATOM 1404 HD3 PRO A 170 57.200 40.395 1.520 1.00100.54 H ATOM 1405 N MET A 171 60.951 39.157 -0.737 1.00 89.33 N ATOM 1406 CA MET A 171 62.099 38.403 -1.262 1.00 91.40 C ATOM 1407 C MET A 171 61.823 37.944 -2.691 1.00 94.72 C ATOM 1408 O MET A 171 62.722 37.947 -3.545 1.00 95.18 O ATOM 1409 CB MET A 171 62.413 37.191 -0.389 1.00 87.63 C ATOM 1410 CG MET A 171 63.594 36.364 -0.883 1.00 90.08 C ATOM 1411 SD MET A 171 63.892 34.874 0.106 1.00 99.39 S ATOM 1412 CE MET A 171 62.433 33.905 -0.270 1.00 80.11 C ATOM 1413 H MET A 171 60.536 38.771 -0.090 1.00107.20 H ATOM 1414 HA MET A 171 62.879 38.979 -1.262 1.00109.68 H ATOM 1415 HB2 MET A 171 62.620 37.497 0.508 1.00105.16 H ATOM 1416 HB3 MET A 171 61.635 36.612 -0.367 1.00105.16 H ATOM 1417 HG2 MET A 171 63.423 36.086 -1.797 1.00108.10 H ATOM 1418 HG3 MET A 171 64.395 36.909 -0.849 1.00108.10 H ATOM 1419 HE1 MET A 171 62.480 33.065 0.213 1.00 96.13 H ATOM 1420 HE2 MET A 171 61.646 34.401 0.004 1.00 96.13 H ATOM 1421 HE3 MET A 171 62.403 33.737 -1.225 1.00 96.13 H ATOM 1422 N TYR A 172 60.570 37.550 -2.934 1.00 87.21 N ATOM 1423 CA TYR A 172 60.100 37.166 -4.265 1.00 85.91 C ATOM 1424 C TYR A 172 60.178 38.324 -5.271 1.00101.79 C ATOM 1425 O TYR A 172 60.045 38.104 -6.482 1.00103.34 O ATOM 1426 CB TYR A 172 58.653 36.655 -4.195 1.00 72.47 C ATOM 1427 CG TYR A 172 58.463 35.442 -3.303 1.00 70.00 C ATOM 1428 CD1 TYR A 172 59.412 34.444 -3.256 1.00 65.48 C ATOM 1429 CD2 TYR A 172 57.354 35.310 -2.502 1.00 67.40 C ATOM 1430 CE1 TYR A 172 59.262 33.373 -2.462 1.00 55.64 C ATOM 1431 CE2 TYR A 172 57.191 34.220 -1.677 1.00 61.63 C ATOM 1432 CZ TYR A 172 58.148 33.242 -1.663 1.00 60.60 C ATOM 1433 OH TYR A 172 58.004 32.108 -0.851 1.00 49.18 O ATOM 1434 H TYR A 172 59.962 37.495 -2.328 1.00104.65 H ATOM 1435 HA TYR A 172 60.656 36.444 -4.598 1.00103.10 H ATOM 1436 HB2 TYR A 172 58.089 37.365 -3.851 1.00 86.97 H ATOM 1437 HB3 TYR A 172 58.365 36.412 -5.089 1.00 86.97 H ATOM 1438 HD1 TYR A 172 60.172 34.513 -3.787 1.00 78.58 H ATOM 1439 HD2 TYR A 172 56.704 35.975 -2.511 1.00 80.88 H ATOM 1440 HE1 TYR A 172 59.914 32.710 -2.455 1.00 66.76 H ATOM 1441 HE2 TYR A 172 56.430 34.141 -1.147 1.00 73.96 H ATOM 1442 HH TYR A 172 57.285 32.154 -0.419 1.00 59.01 H ATOM 1443 N LYS A 173 60.377 39.550 -4.770 1.00107.64 N ATOM 1444 CA LYS A 173 60.480 40.746 -5.624 1.00104.86 C ATOM 1445 C LYS A 173 61.802 40.765 -6.398 1.00106.65 C ATOM 1446 O LYS A 173 61.816 41.121 -7.581 1.00112.12 O ATOM 1447 CB LYS A 173 60.351 42.054 -4.797 1.00100.79 C ATOM 1448 CG LYS A 173 58.916 42.428 -4.316 1.00 94.63 C ATOM 1449 CD LYS A 173 58.909 43.623 -3.330 1.00 83.79 C ATOM 1450 CE LYS A 173 57.498 44.189 -3.088 1.00 78.06 C ATOM 1451 NZ LYS A 173 56.597 43.312 -2.258 1.00 79.81 N1+ ATOM 1452 H LYS A 173 60.458 39.718 -3.931 1.00129.17 H ATOM 1453 HA LYS A 173 59.757 40.732 -6.270 1.00125.83 H ATOM 1454 HB2 LYS A 173 60.907 41.970 -4.006 1.00120.95 H ATOM 1455 HB3 LYS A 173 60.674 42.791 -5.340 1.00120.95 H ATOM 1456 HG2 LYS A 173 58.377 42.670 -5.086 1.00113.55 H ATOM 1457 HG3 LYS A 173 58.525 41.663 -3.864 1.00113.55 H ATOM 1458 HD2 LYS A 173 59.265 43.330 -2.477 1.00100.54 H ATOM 1459 HD3 LYS A 173 59.459 44.335 -3.693 1.00100.54 H ATOM 1460 HE2 LYS A 173 57.580 45.040 -2.631 1.00 93.67 H ATOM 1461 HE3 LYS A 173 57.067 44.321 -3.947 1.00 93.67 H ATOM 1462 HZ1 LYS A 173 55.803 43.700 -2.160 1.00 95.78 H ATOM 1463 HZ2 LYS A 173 56.488 42.525 -2.658 1.00 95.78 H ATOM 1464 HZ3 LYS A 173 56.957 43.181 -1.455 1.00 95.78 H ATOM 1465 N ARG A 174 62.899 40.381 -5.732 1.00104.55 N ATOM 1466 CA ARG A 174 64.244 40.488 -6.314 1.00106.54 C ATOM 1467 C ARG A 174 64.649 39.280 -7.165 1.00106.28 C ATOM 1468 O ARG A 174 65.672 39.327 -7.854 1.00108.10 O ATOM 1469 CB ARG A 174 65.297 40.695 -5.216 1.00106.29 C ATOM 1470 CG ARG A 174 65.486 39.516 -4.276 1.00 99.00 C ATOM 1471 CD ARG A 174 66.882 39.505 -3.680 1.00 92.68 C ATOM 1472 NE ARG A 174 66.834 39.350 -2.236 1.00 89.50 N ATOM 1473 CZ ARG A 174 67.876 39.046 -1.474 1.00 90.44 C ATOM 1474 NH1 ARG A 174 69.076 38.848 -2.014 1.00 93.46 N1+ ATOM 1475 NH2 ARG A 174 67.709 38.931 -0.162 1.00 89.72 N ATOM 1476 H ARG A 174 62.890 40.053 -4.937 1.00125.46 H ATOM 1477 HA ARG A 174 64.266 41.268 -6.889 1.00127.85 H ATOM 1478 HB2 ARG A 174 66.152 40.872 -5.639 1.00127.55 H ATOM 1479 HB3 ARG A 174 65.036 41.459 -4.678 1.00127.55 H ATOM 1480 HG2 ARG A 174 64.845 39.578 -3.550 1.00118.79 H ATOM 1481 HG3 ARG A 174 65.358 38.689 -4.768 1.00118.79 H ATOM 1482 HD2 ARG A 174 67.384 38.763 -4.051 1.00111.21 H ATOM 1483 HD3 ARG A 174 67.324 40.345 -3.883 1.00111.21 H ATOM 1484 HE ARG A 174 66.075 39.464 -1.848 1.00107.40 H ATOM 1485 HH11 ARG A 174 69.182 38.922 -2.865 1.00112.15 H ATOM 1486 HH12 ARG A 174 69.746 38.650 -1.513 1.00112.15 H ATOM 1487 HH21 ARG A 174 66.933 39.058 0.186 1.00107.67 H ATOM 1488 HH22 ARG A 174 68.378 38.732 0.341 1.00107.67 H ATOM 1489 N ASP A 175 63.875 38.197 -7.100 1.00107.76 N ATOM 1490 CA ASP A 175 64.038 37.088 -8.050 1.00110.68 C ATOM 1491 C ASP A 175 63.264 37.425 -9.343 1.00110.20 C ATOM 1492 O ASP A 175 63.695 37.092 -10.458 1.00110.87 O ATOM 1493 CB ASP A 175 63.562 35.755 -7.441 1.00102.92 C ATOM 1494 CG ASP A 175 64.129 34.528 -8.176 1.00102.76 C ATOM 1495 OD1 ASP A 175 64.407 34.631 -9.391 1.00108.32 O ATOM 1496 OD2 ASP A 175 64.298 33.459 -7.542 1.00 98.64 O1- ATOM 1497 H ASP A 175 63.251 38.077 -6.520 1.00129.31 H ATOM 1498 HA ASP A 175 64.977 36.998 -8.275 1.00132.81 H ATOM 1499 HB2 ASP A 175 63.851 35.710 -6.516 1.00123.50 H ATOM 1500 HB3 ASP A 175 62.594 35.713 -7.489 1.00123.50 H ATOM 1501 N ARG A 176 62.140 38.119 -9.189 1.00107.15 N ATOM 1502 CA ARG A 176 61.371 38.612 -10.330 1.00112.18 C ATOM 1503 C ARG A 176 62.094 39.805 -11.033 1.00111.67 C ATOM 1504 O ARG A 176 61.608 40.355 -12.032 1.00110.50 O ATOM 1505 CB ARG A 176 59.960 38.993 -9.854 1.00109.10 C ATOM 1506 CG ARG A 176 58.948 39.182 -10.969 1.00113.95 C ATOM 1507 CD ARG A 176 57.684 38.366 -10.733 1.00116.18 C ATOM 1508 NE ARG A 176 57.946 36.926 -10.750 1.00116.93 N ATOM 1509 CZ ARG A 176 58.270 36.230 -11.842 1.00116.47 C ATOM 1510 NH1 ARG A 176 58.386 36.853 -13.012 1.00120.94 N1+ ATOM 1511 NH2 ARG A 176 58.490 34.913 -11.765 1.00 99.50 N ATOM 1512 H ARG A 176 61.798 38.321 -8.426 1.00128.58 H ATOM 1513 HA ARG A 176 61.282 37.896 -10.979 1.00134.62 H ATOM 1514 HB2 ARG A 176 59.629 38.291 -9.273 1.00130.92 H ATOM 1515 HB3 ARG A 176 60.013 39.827 -9.362 1.00130.92 H ATOM 1516 HG2 ARG A 176 58.699 40.118 -11.018 1.00136.74 H ATOM 1517 HG3 ARG A 176 59.341 38.895 -11.808 1.00136.74 H ATOM 1518 HD2 ARG A 176 57.315 38.595 -9.866 1.00139.41 H ATOM 1519 HD3 ARG A 176 57.042 38.565 -11.433 1.00139.41 H ATOM 1520 HE ARG A 176 57.887 36.499 -10.006 1.00140.31 H ATOM 1521 HH11 ARG A 176 58.245 37.699 -13.064 1.00145.12 H ATOM 1522 HH12 ARG A 176 58.597 36.407 -13.717 1.00145.12 H ATOM 1523 HH21 ARG A 176 58.418 34.508 -11.010 1.00119.40 H ATOM 1524 HH22 ARG A 176 58.702 34.470 -12.472 1.00119.40 H ATOM 1525 N ALA A 177 63.259 40.180 -10.499 1.00105.92 N ATOM 1526 CA ALA A 177 64.159 41.147 -11.128 1.00103.93 C ATOM 1527 C ALA A 177 65.371 40.433 -11.756 1.00105.01 C ATOM 1528 O ALA A 177 65.724 40.685 -12.916 1.00104.66 O ATOM 1529 CB ALA A 177 64.611 42.175 -10.107 1.00101.64 C ATOM 1530 H ALA A 177 63.557 39.878 -9.751 1.00127.10 H ATOM 1531 HA ALA A 177 63.683 41.611 -11.834 1.00124.72 H ATOM 1532 HB1 ALA A 177 65.206 42.808 -10.540 1.00121.96 H ATOM 1533 HB2 ALA A 177 63.832 42.637 -9.759 1.00121.96 H ATOM 1534 HB3 ALA A 177 65.076 41.722 -9.387 1.00121.96 H ATOM 1535 N LEU A 178 66.000 39.545 -10.986 1.00 99.34 N ATOM 1536 CA LEU A 178 67.077 38.691 -11.493 1.00 97.08 C ATOM 1537 C LEU A 178 66.659 37.959 -12.783 1.00 94.15 C ATOM 1538 O LEU A 178 65.483 37.637 -12.998 1.00 93.63 O ATOM 1539 CB LEU A 178 67.508 37.671 -10.413 1.00 93.24 C ATOM 1540 CG LEU A 178 68.697 36.723 -10.696 1.00 87.61 C ATOM 1541 CD1 LEU A 178 69.500 36.433 -9.431 1.00 78.76 C ATOM 1542 CD2 LEU A 178 68.260 35.407 -11.337 1.00 80.36 C ATOM 1543 H LEU A 178 65.819 39.416 -10.155 1.00119.21 H ATOM 1544 HA LEU A 178 67.845 39.245 -11.701 1.00116.50 H ATOM 1545 HB2 LEU A 178 67.736 38.169 -9.613 1.00111.89 H ATOM 1546 HB3 LEU A 178 66.743 37.106 -10.222 1.00111.89 H ATOM 1547 HG LEU A 178 69.294 37.164 -11.322 1.00105.13 H ATOM 1548 HD11 LEU A 178 70.234 35.838 -9.652 1.00 94.51 H ATOM 1549 HD12 LEU A 178 69.846 37.268 -9.078 1.00 94.51 H ATOM 1550 HD13 LEU A 178 68.919 36.013 -8.778 1.00 94.51 H ATOM 1551 HD21 LEU A 178 69.044 34.856 -11.491 1.00 96.44 H ATOM 1552 HD22 LEU A 178 67.648 34.952 -10.737 1.00 96.44 H ATOM 1553 HD23 LEU A 178 67.818 35.597 -12.179 1.00 96.44 H TER 1554 LEU A 178 ATOM 1555 O5' DC C 89 52.673 8.699 3.618 1.00 67.92 O ATOM 1556 C5' DC C 89 51.561 8.461 2.795 1.00 54.62 C ATOM 1557 C4' DC C 89 51.935 8.599 1.341 1.00 46.78 C ATOM 1558 O4' DC C 89 50.754 8.357 0.521 1.00 47.63 O ATOM 1559 C3' DC C 89 52.420 9.974 0.921 1.00 47.25 C ATOM 1560 O3' DC C 89 53.289 9.841 -0.199 1.00 47.69 O ATOM 1561 C2' DC C 89 51.121 10.691 0.581 1.00 44.64 C ATOM 1562 C1' DC C 89 50.315 9.556 -0.074 1.00 49.46 C ATOM 1563 N1 DC C 89 48.894 9.615 0.123 1.00 41.50 N ATOM 1564 C2 DC C 89 48.001 9.419 -0.966 1.00 48.74 C ATOM 1565 O2 DC C 89 48.441 9.246 -2.114 1.00 50.20 O ATOM 1566 N3 DC C 89 46.672 9.450 -0.730 1.00 46.49 N ATOM 1567 C4 DC C 89 46.211 9.634 0.526 1.00 46.76 C ATOM 1568 N4 DC C 89 44.884 9.665 0.718 1.00 43.31 N ATOM 1569 C5 DC C 89 47.087 9.810 1.627 1.00 45.54 C ATOM 1570 C6 DC C 89 48.411 9.770 1.386 1.00 55.26 C ATOM 1571 H5' DC C 89 50.863 9.101 3.007 1.00 65.55 H ATOM 1572 H5'' DC C 89 51.230 7.563 2.956 1.00 65.55 H ATOM 1573 H4' DC C 89 52.613 7.941 1.123 1.00 56.14 H ATOM 1574 H3' DC C 89 52.872 10.415 1.657 1.00 56.70 H ATOM 1575 H2' DC C 89 50.680 11.012 1.384 1.00 53.57 H ATOM 1576 H2'' DC C 89 51.276 11.414 -0.046 1.00 53.57 H ATOM 1577 H1' DC C 89 50.508 9.532 -1.024 1.00 59.35 H ATOM 1578 H41 DC C 89 44.566 9.780 1.509 1.00 51.97 H ATOM 1579 H42 DC C 89 44.351 9.570 0.050 1.00 51.97 H ATOM 1580 H5 DC C 89 46.758 9.938 2.488 1.00 54.65 H ATOM 1581 H6 DC C 89 49.006 9.888 2.091 1.00 66.32 H ATOM 1582 HO5' DC C 89 52.590 8.677 4.453 1.00 81.51 H ATOM 1583 P DT C 90 54.005 11.118 -0.859 1.00 47.30 P ATOM 1584 OP1 DT C 90 55.305 10.685 -1.336 1.00 48.34 O1- ATOM 1585 OP2 DT C 90 53.839 12.299 0.040 1.00 51.84 O ATOM 1586 O5' DT C 90 53.101 11.391 -2.138 1.00 47.90 O ATOM 1587 C5' DT C 90 52.903 10.336 -3.087 1.00 52.42 C ATOM 1588 C4' DT C 90 52.040 10.808 -4.227 1.00 42.24 C ATOM 1589 O4' DT C 90 50.692 10.857 -3.769 1.00 44.97 O ATOM 1590 C3' DT C 90 52.374 12.224 -4.744 1.00 42.74 C ATOM 1591 O3' DT C 90 52.690 12.171 -6.099 1.00 45.37 O ATOM 1592 C2' DT C 90 51.111 13.042 -4.470 1.00 43.94 C ATOM 1593 C1' DT C 90 50.049 11.973 -4.341 1.00 45.51 C ATOM 1594 N1 DT C 90 48.937 12.309 -3.473 1.00 45.89 N ATOM 1595 C2 DT C 90 47.668 12.319 -3.997 1.00 46.67 C ATOM 1596 O2 DT C 90 47.430 12.100 -5.171 1.00 49.08 O ATOM 1597 N3 DT C 90 46.672 12.597 -3.102 1.00 40.00 N ATOM 1598 C4 DT C 90 46.792 12.824 -1.749 1.00 42.09 C ATOM 1599 O4 DT C 90 45.794 13.049 -1.023 1.00 44.77 O ATOM 1600 C5 DT C 90 48.150 12.808 -1.247 1.00 46.04 C ATOM 1601 C7 DT C 90 48.415 13.071 0.203 1.00 50.10 C ATOM 1602 C6 DT C 90 49.154 12.518 -2.116 1.00 45.24 C ATOM 1603 H5' DT C 90 52.470 9.587 -2.648 1.00 62.90 H ATOM 1604 H5'' DT C 90 53.763 10.051 -3.433 1.00 62.90 H ATOM 1605 H4' DT C 90 52.105 10.176 -4.961 1.00 50.68 H ATOM 1606 H3' DT C 90 53.119 12.591 -4.244 1.00 51.29 H ATOM 1607 H2' DT C 90 51.197 13.543 -3.644 1.00 52.72 H ATOM 1608 H2'' DT C 90 50.916 13.633 -5.215 1.00 52.72 H ATOM 1609 H1' DT C 90 49.715 11.739 -5.221 1.00 54.61 H ATOM 1610 H3 DT C 90 45.872 12.599 -3.416 1.00 48.00 H ATOM 1611 H71 DT C 90 48.855 12.301 0.596 1.00 60.12 H ATOM 1612 H72 DT C 90 48.986 13.850 0.291 1.00 60.12 H ATOM 1613 H73 DT C 90 47.575 13.232 0.661 1.00 60.12 H ATOM 1614 H6 DT C 90 50.028 12.505 -1.798 1.00 54.28 H ATOM 1615 P DA C 91 53.420 13.388 -6.843 1.00 45.40 P ATOM 1616 OP1 DA C 91 54.136 12.826 -7.990 1.00 41.64 O1- ATOM 1617 OP2 DA C 91 54.173 14.237 -5.888 1.00 40.42 O ATOM 1618 O5' DA C 91 52.190 14.267 -7.396 1.00 46.44 O ATOM 1619 C5' DA C 91 51.184 13.647 -8.217 1.00 47.17 C ATOM 1620 C4' DA C 91 50.018 14.596 -8.463 1.00 40.77 C ATOM 1621 O4' DA C 91 49.188 14.673 -7.270 1.00 46.49 O ATOM 1622 C3' DA C 91 50.418 16.046 -8.747 1.00 49.83 C ATOM 1623 O3' DA C 91 49.517 16.629 -9.691 1.00 51.01 O ATOM 1624 C2' DA C 91 50.300 16.688 -7.384 1.00 46.16 C ATOM 1625 C1' DA C 91 49.037 16.016 -6.888 1.00 44.55 C ATOM 1626 N9 DA C 91 48.796 16.091 -5.438 1.00 45.85 N ATOM 1627 C8 DA C 91 49.709 16.294 -4.430 1.00 45.61 C ATOM 1628 N7 DA C 91 49.181 16.303 -3.225 1.00 43.25 N ATOM 1629 C5 DA C 91 47.825 16.072 -3.452 1.00 46.85 C ATOM 1630 C6 DA C 91 46.697 15.968 -2.587 1.00 41.98 C ATOM 1631 N6 DA C 91 46.761 16.074 -1.251 1.00 50.03 N ATOM 1632 N1 DA C 91 45.495 15.732 -3.151 1.00 46.42 N ATOM 1633 C2 DA C 91 45.414 15.620 -4.485 1.00 45.09 C ATOM 1634 N3 DA C 91 46.390 15.737 -5.402 1.00 41.51 N ATOM 1635 C4 DA C 91 47.580 15.939 -4.813 1.00 47.45 C ATOM 1636 H5' DA C 91 50.857 12.849 -7.772 1.00 56.61 H ATOM 1637 H5'' DA C 91 51.577 13.398 -9.069 1.00 56.61 H ATOM 1638 H4' DA C 91 49.485 14.262 -9.201 1.00 48.92 H ATOM 1639 H3' DA C 91 51.332 16.091 -9.069 1.00 59.80 H ATOM 1640 H2' DA C 91 51.060 16.465 -6.824 1.00 55.39 H ATOM 1641 H2'' DA C 91 50.181 17.648 -7.457 1.00 55.39 H ATOM 1642 H1' DA C 91 48.275 16.394 -7.354 1.00 53.46 H ATOM 1643 H8 DA C 91 50.616 16.427 -4.588 1.00 54.73 H ATOM 1644 H61 DA C 91 46.047 15.992 -0.778 1.00 60.03 H ATOM 1645 H62 DA C 91 47.516 16.225 -0.868 1.00 60.03 H ATOM 1646 H2 DA C 91 44.560 15.476 -4.824 1.00 54.11 H ATOM 1647 P DG C 92 50.042 17.635 -10.822 1.00 49.04 P ATOM 1648 OP1 DG C 92 50.481 16.880 -11.989 1.00 53.41 O1- ATOM 1649 OP2 DG C 92 50.857 18.725 -10.223 1.00 47.13 O ATOM 1650 O5' DG C 92 48.696 18.305 -11.320 1.00 55.24 O ATOM 1651 C5' DG C 92 47.701 17.497 -11.806 1.00 54.13 C ATOM 1652 C4' DG C 92 46.373 18.004 -11.358 1.00 54.92 C ATOM 1653 O4' DG C 92 46.249 17.815 -9.930 1.00 52.60 O ATOM 1654 C3' DG C 92 46.134 19.497 -11.624 1.00 57.49 C ATOM 1655 O3' DG C 92 44.921 19.639 -12.340 1.00 63.26 O ATOM 1656 C2' DG C 92 46.082 20.129 -10.225 1.00 49.82 C ATOM 1657 C1' DG C 92 45.681 18.954 -9.333 1.00 48.88 C ATOM 1658 N9 DG C 92 46.184 19.053 -7.969 1.00 50.70 N ATOM 1659 C8 DG C 92 47.508 19.259 -7.589 1.00 49.89 C ATOM 1660 N7 DG C 92 47.670 19.300 -6.294 1.00 48.41 N ATOM 1661 C5 DG C 92 46.381 19.121 -5.784 1.00 42.00 C ATOM 1662 C6 DG C 92 45.921 19.083 -4.435 1.00 45.73 C ATOM 1663 O6 DG C 92 46.575 19.221 -3.399 1.00 45.65 O ATOM 1664 N1 DG C 92 44.538 18.855 -4.351 1.00 44.84 N ATOM 1665 C2 DG C 92 43.705 18.698 -5.430 1.00 47.20 C ATOM 1666 N2 DG C 92 42.400 18.505 -5.145 1.00 54.93 N ATOM 1667 N3 DG C 92 44.115 18.740 -6.703 1.00 48.01 N ATOM 1668 C4 DG C 92 45.463 18.949 -6.805 1.00 42.71 C ATOM 1669 H5' DG C 92 47.829 16.594 -11.475 1.00 64.95 H ATOM 1670 H5'' DG C 92 47.734 17.492 -12.775 1.00 64.95 H ATOM 1671 H4' DG C 92 45.678 17.493 -11.802 1.00 65.90 H ATOM 1672 H3' DG C 92 46.872 19.868 -12.134 1.00 68.99 H ATOM 1673 H2' DG C 92 46.954 20.471 -9.970 1.00 59.78 H ATOM 1674 H2'' DG C 92 45.413 20.830 -10.190 1.00 59.78 H ATOM 1675 H1' DG C 92 44.715 18.868 -9.321 1.00 58.66 H ATOM 1676 H8 DG C 92 48.205 19.363 -8.195 1.00 59.87 H ATOM 1677 H1 DG C 92 44.186 18.820 -3.567 1.00 53.80 H ATOM 1678 H21 DG C 92 41.830 18.409 -5.782 1.00 65.92 H ATOM 1679 H22 DG C 92 42.138 18.479 -4.326 1.00 65.92 H ATOM 1680 P DC C 93 44.473 21.035 -12.979 1.00 59.30 P ATOM 1681 OP1 DC C 93 43.744 20.576 -14.186 1.00 65.60 O ATOM 1682 OP2 DC C 93 45.617 21.999 -13.037 1.00 52.06 O1- ATOM 1683 O5' DC C 93 43.427 21.589 -11.927 1.00 59.82 O ATOM 1684 C5' DC C 93 42.284 20.853 -11.609 1.00 54.33 C ATOM 1685 C4' DC C 93 41.621 21.443 -10.392 1.00 61.82 C ATOM 1686 O4' DC C 93 42.488 21.282 -9.229 1.00 62.10 O ATOM 1687 C3' DC C 93 41.317 22.943 -10.480 1.00 58.27 C ATOM 1688 O3' DC C 93 39.972 23.148 -10.151 1.00 59.76 O ATOM 1689 C2' DC C 93 42.279 23.573 -9.469 1.00 56.02 C ATOM 1690 C1' DC C 93 42.420 22.454 -8.451 1.00 56.29 C ATOM 1691 N1 DC C 93 43.647 22.515 -7.563 1.00 50.31 N ATOM 1692 C2 DC C 93 43.524 22.210 -6.193 1.00 51.13 C ATOM 1693 O2 DC C 93 42.407 21.923 -5.736 1.00 51.97 O ATOM 1694 N3 DC C 93 44.640 22.226 -5.403 1.00 46.83 N ATOM 1695 C4 DC C 93 45.832 22.544 -5.937 1.00 47.41 C ATOM 1696 N4 DC C 93 46.901 22.561 -5.116 1.00 47.16 N ATOM 1697 C5 DC C 93 45.983 22.847 -7.333 1.00 46.21 C ATOM 1698 C6 DC C 93 44.880 22.812 -8.105 1.00 50.68 C ATOM 1699 H5' DC C 93 42.532 19.934 -11.427 1.00 65.20 H ATOM 1700 H5'' DC C 93 41.666 20.879 -12.356 1.00 65.20 H ATOM 1701 H4' DC C 93 40.792 20.967 -10.229 1.00 74.19 H ATOM 1702 H3' DC C 93 41.502 23.273 -11.373 1.00 69.93 H ATOM 1703 H2' DC C 93 43.133 23.776 -9.882 1.00 67.23 H ATOM 1704 H2'' DC C 93 41.888 24.363 -9.064 1.00 67.23 H ATOM 1705 H1' DC C 93 41.624 22.424 -7.896 1.00 67.55 H ATOM 1706 H41 DC C 93 47.678 22.760 -5.426 1.00 56.59 H ATOM 1707 H42 DC C 93 46.806 22.372 -4.283 1.00 56.59 H ATOM 1708 H5 DC C 93 46.814 23.060 -7.692 1.00 55.45 H ATOM 1709 H6 DC C 93 44.948 23.007 -9.011 1.00 60.82 H ATOM 1710 P DC C 94 39.305 24.609 -10.207 1.00 63.48 P ATOM 1711 OP1 DC C 94 37.971 24.305 -10.787 1.00 64.21 O ATOM 1712 OP2 DC C 94 40.213 25.601 -10.842 1.00 61.93 O1- ATOM 1713 O5' DC C 94 39.145 24.949 -8.640 1.00 60.71 O ATOM 1714 C5' DC C 94 38.254 24.132 -7.844 1.00 55.76 C ATOM 1715 C4' DC C 94 38.358 24.516 -6.395 1.00 56.06 C ATOM 1716 O4' DC C 94 39.706 24.284 -5.966 1.00 51.41 O ATOM 1717 C3' DC C 94 38.072 25.998 -6.123 1.00 52.72 C ATOM 1718 O3' DC C 94 36.937 26.162 -5.331 1.00 67.62 O ATOM 1719 C2' DC C 94 39.291 26.510 -5.417 1.00 53.78 C ATOM 1720 C1' DC C 94 40.059 25.260 -5.042 1.00 59.48 C ATOM 1721 N1 DC C 94 41.528 25.448 -5.104 1.00 47.10 N ATOM 1722 C2 DC C 94 42.242 25.569 -3.916 1.00 46.27 C ATOM 1723 O2 DC C 94 41.622 25.512 -2.841 1.00 47.91 O ATOM 1724 N3 DC C 94 43.581 25.735 -3.970 1.00 44.64 N ATOM 1725 C4 DC C 94 44.193 25.776 -5.148 1.00 45.53 C ATOM 1726 N4 DC C 94 45.514 25.956 -5.156 1.00 44.90 N ATOM 1727 C5 DC C 94 43.474 25.669 -6.377 1.00 45.29 C ATOM 1728 C6 DC C 94 42.153 25.502 -6.307 1.00 45.22 C ATOM 1729 H5' DC C 94 38.497 23.199 -7.947 1.00 66.92 H ATOM 1730 H5'' DC C 94 37.342 24.263 -8.147 1.00 66.92 H ATOM 1731 H4' DC C 94 37.753 23.968 -5.871 1.00 67.27 H ATOM 1732 H3' DC C 94 37.957 26.469 -6.963 1.00 63.26 H ATOM 1733 H2' DC C 94 39.818 27.067 -6.011 1.00 64.54 H ATOM 1734 H2'' DC C 94 39.039 27.004 -4.621 1.00 64.54 H ATOM 1735 H1' DC C 94 39.803 24.974 -4.151 1.00 71.37 H ATOM 1736 H41 DC C 94 45.939 25.987 -5.903 1.00 53.87 H ATOM 1737 H42 DC C 94 45.941 26.040 -4.414 1.00 53.87 H ATOM 1738 H5 DC C 94 43.912 25.703 -7.197 1.00 54.35 H ATOM 1739 H6 DC C 94 41.657 25.419 -7.089 1.00 54.26 H ATOM 1740 P DT C 95 36.322 27.636 -5.102 1.00 69.52 P ATOM 1741 OP1 DT C 95 34.930 27.245 -4.805 1.00 66.31 O1- ATOM 1742 OP2 DT C 95 36.748 28.570 -6.195 1.00 56.86 O ATOM 1743 O5' DT C 95 37.014 28.152 -3.739 1.00 56.95 O ATOM 1744 C5' DT C 95 36.982 27.288 -2.621 1.00 57.66 C ATOM 1745 C4' DT C 95 37.592 27.931 -1.407 1.00 60.09 C ATOM 1746 O4' DT C 95 39.054 27.923 -1.513 1.00 54.87 O ATOM 1747 C3' DT C 95 37.196 29.382 -1.172 1.00 59.30 C ATOM 1748 O3' DT C 95 37.044 29.581 0.245 1.00 60.87 O ATOM 1749 C2' DT C 95 38.378 30.158 -1.790 1.00 59.58 C ATOM 1750 C1' DT C 95 39.552 29.253 -1.433 1.00 56.96 C ATOM 1751 N1 DT C 95 40.733 29.302 -2.302 1.00 49.90 N ATOM 1752 C2 DT C 95 41.962 29.234 -1.703 1.00 47.73 C ATOM 1753 O2 DT C 95 42.110 29.216 -0.493 1.00 50.03 O ATOM 1754 N3 DT C 95 43.025 29.198 -2.569 1.00 47.21 N ATOM 1755 C4 DT C 95 42.978 29.184 -3.944 1.00 43.66 C ATOM 1756 O4 DT C 95 43.992 29.158 -4.623 1.00 48.81 O ATOM 1757 C5 DT C 95 41.655 29.255 -4.525 1.00 52.04 C ATOM 1758 C7 DT C 95 41.499 29.291 -6.032 1.00 50.53 C ATOM 1759 C6 DT C 95 40.598 29.286 -3.683 1.00 48.62 C ATOM 1760 H5' DT C 95 37.475 26.479 -2.833 1.00 69.19 H ATOM 1761 H5'' DT C 95 36.061 27.055 -2.427 1.00 69.19 H ATOM 1762 H4' DT C 95 37.338 27.414 -0.626 1.00 72.10 H ATOM 1763 H3' DT C 95 36.371 29.588 -1.638 1.00 71.16 H ATOM 1764 H2' DT C 95 38.278 30.234 -2.751 1.00 71.50 H ATOM 1765 H2'' DT C 95 38.474 31.030 -1.377 1.00 71.50 H ATOM 1766 H1' DT C 95 39.825 29.434 -0.520 1.00 68.36 H ATOM 1767 H3 DT C 95 43.807 29.163 -2.212 1.00 56.65 H ATOM 1768 H71 DT C 95 42.374 29.261 -6.449 1.00 60.64 H ATOM 1769 H72 DT C 95 40.975 28.528 -6.321 1.00 60.64 H ATOM 1770 H73 DT C 95 41.046 30.110 -6.290 1.00 60.64 H ATOM 1771 H6 DT C 95 39.742 29.315 -4.046 1.00 58.35 H ATOM 1772 P DT C 96 36.437 30.925 0.885 1.00 61.48 P ATOM 1773 OP1 DT C 96 35.563 30.506 1.998 1.00 65.66 O ATOM 1774 OP2 DT C 96 36.034 31.852 -0.197 1.00 71.52 O1- ATOM 1775 O5' DT C 96 37.639 31.567 1.681 1.00 60.30 O ATOM 1776 C5' DT C 96 38.903 31.333 1.308 1.00 64.20 C ATOM 1777 C4' DT C 96 39.869 31.657 2.414 1.00 60.09 C ATOM 1778 O4' DT C 96 41.173 31.572 1.861 1.00 59.51 O ATOM 1779 C3' DT C 96 39.814 33.072 2.997 1.00 57.71 C ATOM 1780 O3' DT C 96 40.476 33.090 4.286 1.00 54.94 O ATOM 1781 C2' DT C 96 40.566 33.872 1.945 1.00 53.02 C ATOM 1782 C1' DT C 96 41.632 32.873 1.499 1.00 51.62 C ATOM 1783 N1 DT C 96 41.937 32.825 0.048 1.00 43.56 N ATOM 1784 C2 DT C 96 43.247 32.673 -0.324 1.00 48.78 C ATOM 1785 O2 DT C 96 44.165 32.612 0.482 1.00 50.22 O ATOM 1786 N3 DT C 96 43.457 32.617 -1.677 1.00 46.51 N ATOM 1787 C4 DT C 96 42.505 32.654 -2.668 1.00 45.66 C ATOM 1788 O4 DT C 96 42.799 32.580 -3.856 1.00 52.97 O ATOM 1789 C5 DT C 96 41.148 32.818 -2.217 1.00 49.93 C ATOM 1790 C7 DT C 96 40.024 32.894 -3.207 1.00 49.71 C ATOM 1791 C6 DT C 96 40.927 32.881 -0.893 1.00 49.51 C ATOM 1792 H5' DT C 96 39.112 31.880 0.534 1.00 77.04 H ATOM 1793 H5'' DT C 96 38.996 30.398 1.069 1.00 77.04 H ATOM 1794 H4' DT C 96 39.776 31.007 3.128 1.00 72.11 H ATOM 1795 H3' DT C 96 38.897 33.377 3.073 1.00 69.26 H ATOM 1796 H2' DT C 96 39.983 34.108 1.207 1.00 63.62 H ATOM 1797 H2'' DT C 96 40.973 34.661 2.335 1.00 63.62 H ATOM 1798 H1' DT C 96 42.452 33.059 1.983 1.00 61.94 H ATOM 1799 H3 DT C 96 44.272 32.516 -1.933 1.00 55.81 H ATOM 1800 H71 DT C 96 40.379 32.817 -4.106 1.00 59.65 H ATOM 1801 H72 DT C 96 39.400 32.170 -3.043 1.00 59.65 H ATOM 1802 H73 DT C 96 39.567 33.744 -3.111 1.00 59.65 H ATOM 1803 H6 DT C 96 40.051 32.976 -0.595 1.00 59.41 H ATOM 1804 P DG C 97 40.218 34.265 5.356 1.00 63.41 P ATOM 1805 OP1 DG C 97 40.689 33.780 6.682 1.00 59.80 O1- ATOM 1806 OP2 DG C 97 38.847 34.794 5.159 1.00 61.39 O ATOM 1807 O5' DG C 97 41.327 35.367 4.955 1.00 55.71 O ATOM 1808 C5' DG C 97 42.690 35.123 5.284 1.00 55.59 C ATOM 1809 C4' DG C 97 43.565 36.213 4.749 1.00 53.63 C ATOM 1810 O4' DG C 97 43.687 36.080 3.299 1.00 50.25 O ATOM 1811 C3' DG C 97 43.027 37.618 4.979 1.00 58.96 C ATOM 1812 O3' DG C 97 44.102 38.461 5.279 1.00 59.09 O ATOM 1813 C2' DG C 97 42.351 37.950 3.633 1.00 48.87 C ATOM 1814 C1' DG C 97 43.332 37.300 2.685 1.00 47.81 C ATOM 1815 N9 DG C 97 42.845 37.011 1.344 1.00 45.92 N ATOM 1816 C8 DG C 97 41.557 36.952 0.908 1.00 46.93 C ATOM 1817 N7 DG C 97 41.452 36.626 -0.358 1.00 48.60 N ATOM 1818 C5 DG C 97 42.778 36.446 -0.773 1.00 47.82 C ATOM 1819 C6 DG C 97 43.317 36.087 -2.045 1.00 47.42 C ATOM 1820 O6 DG C 97 42.712 35.852 -3.116 1.00 49.79 O ATOM 1821 N1 DG C 97 44.700 36.032 -2.009 1.00 45.65 N ATOM 1822 C2 DG C 97 45.474 36.266 -0.894 1.00 46.91 C ATOM 1823 N2 DG C 97 46.805 36.154 -1.050 1.00 50.06 N ATOM 1824 N3 DG C 97 44.993 36.582 0.282 1.00 44.09 N ATOM 1825 C4 DG C 97 43.637 36.669 0.265 1.00 45.99 C ATOM 1826 H5' DG C 97 42.965 34.276 4.901 1.00 66.71 H ATOM 1827 H5'' DG C 97 42.784 35.083 6.249 1.00 66.71 H ATOM 1828 H4' DG C 97 44.445 36.141 5.150 1.00 64.36 H ATOM 1829 H3' DG C 97 42.376 37.620 5.698 1.00 70.75 H ATOM 1830 H2' DG C 97 41.475 37.537 3.569 1.00 58.64 H ATOM 1831 H2'' DG C 97 42.305 38.908 3.489 1.00 58.64 H ATOM 1832 H1' DG C 97 44.122 37.860 2.618 1.00 57.37 H ATOM 1833 H8 DG C 97 40.825 37.132 1.452 1.00 56.32 H ATOM 1834 H1 DG C 97 45.107 35.814 -2.734 1.00 54.78 H ATOM 1835 H21 DG C 97 47.329 36.290 -0.382 1.00 60.07 H ATOM 1836 H22 DG C 97 47.132 35.946 -1.818 1.00 60.07 H ATOM 1837 P DA C 98 44.051 39.471 6.518 1.00 60.13 P ATOM 1838 OP1 DA C 98 43.882 38.671 7.749 1.00 58.81 O ATOM 1839 OP2 DA C 98 43.092 40.541 6.149 1.00 59.97 O1- ATOM 1840 O5' DA C 98 45.506 40.106 6.522 1.00 56.07 O ATOM 1841 C5' DA C 98 46.608 39.272 6.697 1.00 54.62 C ATOM 1842 C4' DA C 98 47.804 39.774 5.928 1.00 58.23 C ATOM 1843 O4' DA C 98 47.610 39.618 4.486 1.00 60.88 O ATOM 1844 C3' DA C 98 48.132 41.227 6.107 1.00 56.66 C ATOM 1845 O3' DA C 98 49.542 41.340 5.935 1.00 60.05 O ATOM 1846 C2' DA C 98 47.285 41.892 5.006 1.00 57.41 C ATOM 1847 C1' DA C 98 47.404 40.879 3.858 1.00 59.82 C ATOM 1848 N9 DA C 98 46.233 40.750 2.945 1.00 50.43 N ATOM 1849 C8 DA C 98 44.921 40.878 3.244 1.00 48.30 C ATOM 1850 N7 DA C 98 44.116 40.668 2.213 1.00 48.23 N ATOM 1851 C5 DA C 98 44.970 40.374 1.166 1.00 44.97 C ATOM 1852 C6 DA C 98 44.745 40.033 -0.203 1.00 49.98 C ATOM 1853 N6 DA C 98 43.534 39.937 -0.766 1.00 47.40 N ATOM 1854 N1 DA C 98 45.825 39.802 -0.971 1.00 51.36 N ATOM 1855 C2 DA C 98 47.043 39.879 -0.415 1.00 51.97 C ATOM 1856 N3 DA C 98 47.374 40.165 0.842 1.00 52.78 N ATOM 1857 C4 DA C 98 46.273 40.401 1.593 1.00 50.44 C ATOM 1858 H5' DA C 98 46.383 38.381 6.388 1.00 65.55 H ATOM 1859 H5'' DA C 98 46.831 39.234 7.640 1.00 65.55 H ATOM 1860 H4' DA C 98 48.577 39.251 6.192 1.00 69.87 H ATOM 1861 H3' DA C 98 47.862 41.534 6.986 1.00 68.00 H ATOM 1862 H2' DA C 98 46.362 41.986 5.289 1.00 68.89 H ATOM 1863 H2'' DA C 98 47.661 42.749 4.751 1.00 68.89 H ATOM 1864 H1' DA C 98 48.188 41.096 3.330 1.00 71.79 H ATOM 1865 H8 DA C 98 44.612 41.097 4.093 1.00 57.96 H ATOM 1866 H61 DA C 98 43.462 39.732 -1.598 1.00 56.88 H ATOM 1867 H62 DA C 98 42.829 40.080 -0.295 1.00 56.88 H ATOM 1868 H2 DA C 98 47.755 39.698 -0.985 1.00 62.37 H ATOM 1869 P DC C 99 50.348 42.698 6.203 1.00 64.82 P ATOM 1870 OP1 DC C 99 51.670 42.382 6.799 1.00 63.67 O ATOM 1871 OP2 DC C 99 49.346 43.600 6.806 1.00 65.05 O1- ATOM 1872 O5' DC C 99 50.764 43.153 4.732 1.00 59.41 O ATOM 1873 C5' DC C 99 51.542 42.276 3.949 1.00 51.03 C ATOM 1874 C4' DC C 99 51.440 42.630 2.492 1.00 53.98 C ATOM 1875 O4' DC C 99 50.078 42.434 2.046 1.00 49.24 O ATOM 1876 C3' DC C 99 51.794 44.102 2.173 1.00 52.21 C ATOM 1877 O3' DC C 99 53.080 44.186 1.460 1.00 59.38 O ATOM 1878 C2' DC C 99 50.570 44.627 1.352 1.00 60.52 C ATOM 1879 C1' DC C 99 49.800 43.352 0.990 1.00 53.11 C ATOM 1880 N1 DC C 99 48.263 43.521 0.824 1.00 48.45 N ATOM 1881 C2 DC C 99 47.662 43.311 -0.438 1.00 51.57 C ATOM 1882 O2 DC C 99 48.359 42.991 -1.425 1.00 57.22 O ATOM 1883 N3 DC C 99 46.333 43.450 -0.557 1.00 49.57 N ATOM 1884 C4 DC C 99 45.582 43.769 0.495 1.00 49.05 C ATOM 1885 N4 DC C 99 44.266 43.882 0.297 1.00 46.47 N ATOM 1886 C5 DC C 99 46.149 43.997 1.777 1.00 47.63 C ATOM 1887 C6 DC C 99 47.487 43.855 1.900 1.00 48.32 C ATOM 1888 H5' DC C 99 51.228 41.368 4.080 1.00 61.24 H ATOM 1889 H5'' DC C 99 52.469 42.337 4.228 1.00 61.24 H ATOM 1890 H4' DC C 99 52.026 42.047 1.983 1.00 64.78 H ATOM 1891 H3' DC C 99 51.858 44.600 3.003 1.00 62.65 H ATOM 1892 H2' DC C 99 50.021 45.213 1.897 1.00 72.63 H ATOM 1893 H2'' DC C 99 50.868 45.084 0.551 1.00 72.63 H ATOM 1894 H1' DC C 99 50.163 42.994 0.165 1.00 63.73 H ATOM 1895 H41 DC C 99 43.748 44.087 0.952 1.00 55.76 H ATOM 1896 H42 DC C 99 43.936 43.750 -0.487 1.00 55.76 H ATOM 1897 H5 DC C 99 45.618 44.223 2.507 1.00 57.15 H ATOM 1898 H6 DC C 99 47.888 43.992 2.728 1.00 57.98 H ATOM 1899 P DC C 100 53.817 45.624 1.249 1.00 57.69 P ATOM 1900 OP1 DC C 100 55.209 45.368 0.829 1.00 57.38 O ATOM 1901 OP2 DC C 100 53.526 46.449 2.455 1.00 55.17 O1- ATOM 1902 O5' DC C 100 53.031 46.199 -0.020 1.00 47.45 O ATOM 1903 C5' DC C 100 53.260 45.562 -1.267 1.00 50.02 C ATOM 1904 C4' DC C 100 52.333 46.086 -2.345 1.00 52.22 C ATOM 1905 O4' DC C 100 50.989 45.661 -2.072 1.00 47.05 O ATOM 1906 C3' DC C 100 52.236 47.608 -2.461 1.00 51.15 C ATOM 1907 O3' DC C 100 53.292 48.120 -3.242 1.00 58.72 O ATOM 1908 C2' DC C 100 50.854 47.809 -3.115 1.00 53.19 C ATOM 1909 C1' DC C 100 50.094 46.495 -2.783 1.00 51.49 C ATOM 1910 N1 DC C 100 48.866 46.697 -1.958 1.00 52.38 N ATOM 1911 C2 DC C 100 47.602 46.566 -2.545 1.00 49.67 C ATOM 1912 O2 DC C 100 47.511 46.266 -3.749 1.00 54.27 O ATOM 1913 N3 DC C 100 46.508 46.786 -1.786 1.00 46.02 N ATOM 1914 C4 DC C 100 46.620 47.064 -0.486 1.00 46.30 C ATOM 1915 N4 DC C 100 45.484 47.268 0.209 1.00 52.68 N ATOM 1916 C5 DC C 100 47.879 47.208 0.138 1.00 46.94 C ATOM 1917 C6 DC C 100 48.977 47.010 -0.620 1.00 52.18 C ATOM 1918 H5' DC C 100 53.118 44.608 -1.165 1.00 60.02 H ATOM 1919 H5'' DC C 100 54.178 45.717 -1.537 1.00 60.02 H ATOM 1920 H4' DC C 100 52.609 45.723 -3.201 1.00 62.66 H ATOM 1921 H3' DC C 100 52.247 48.010 -1.578 1.00 61.38 H ATOM 1922 HO3' DC C 100 53.125 48.548 -3.946 1.00 70.46 H ATOM 1923 H2' DC C 100 50.400 48.573 -2.725 1.00 63.82 H ATOM 1924 H2'' DC C 100 50.944 47.918 -4.075 1.00 63.82 H ATOM 1925 H1' DC C 100 49.846 46.056 -3.612 1.00 61.79 H ATOM 1926 H41 DC C 100 45.520 47.450 1.049 1.00 63.21 H ATOM 1927 H42 DC C 100 44.722 47.217 -0.187 1.00 63.21 H ATOM 1928 H5 DC C 100 47.949 47.429 1.039 1.00 56.33 H ATOM 1929 H6 DC C 100 49.820 47.098 -0.238 1.00 62.61 H TER 1930 DC C 100 ATOM 1931 O5' DG B 107 36.546 48.250 -6.836 1.00 76.53 O ATOM 1932 C5' DG B 107 36.996 47.059 -6.218 1.00 66.22 C ATOM 1933 C4' DG B 107 38.108 46.463 -7.040 1.00 63.64 C ATOM 1934 O4' DG B 107 39.367 46.610 -6.332 1.00 63.38 O ATOM 1935 C3' DG B 107 37.993 44.987 -7.365 1.00 62.44 C ATOM 1936 O3' DG B 107 38.604 44.798 -8.643 1.00 65.61 O ATOM 1937 C2' DG B 107 38.739 44.337 -6.212 1.00 60.08 C ATOM 1938 C1' DG B 107 39.862 45.344 -5.935 1.00 60.31 C ATOM 1939 N9 DG B 107 40.295 45.471 -4.534 1.00 54.26 N ATOM 1940 C8 DG B 107 39.509 45.467 -3.394 1.00 56.55 C ATOM 1941 N7 DG B 107 40.188 45.653 -2.296 1.00 60.02 N ATOM 1942 C5 DG B 107 41.498 45.807 -2.742 1.00 50.22 C ATOM 1943 C6 DG B 107 42.662 46.019 -2.013 1.00 48.67 C ATOM 1944 O6 DG B 107 42.771 46.118 -0.783 1.00 49.01 O ATOM 1945 N1 DG B 107 43.783 46.125 -2.848 1.00 45.35 N ATOM 1946 C2 DG B 107 43.757 46.001 -4.217 1.00 51.51 C ATOM 1947 N2 DG B 107 44.928 46.128 -4.865 1.00 53.85 N ATOM 1948 N3 DG B 107 42.658 45.781 -4.911 1.00 54.52 N ATOM 1949 C4 DG B 107 41.572 45.699 -4.109 1.00 52.82 C ATOM 1950 H5' DG B 107 36.262 46.428 -6.159 1.00 79.46 H ATOM 1951 H5'' DG B 107 37.323 47.260 -5.327 1.00 79.46 H ATOM 1952 H4' DG B 107 38.166 46.955 -7.874 1.00 76.37 H ATOM 1953 H3' DG B 107 37.064 44.709 -7.378 1.00 74.93 H ATOM 1954 H2' DG B 107 38.162 44.243 -5.438 1.00 72.10 H ATOM 1955 H2'' DG B 107 39.105 43.479 -6.479 1.00 72.10 H ATOM 1956 H1' DG B 107 40.630 45.119 -6.483 1.00 72.38 H ATOM 1957 H8 DG B 107 38.589 45.336 -3.409 1.00 67.86 H ATOM 1958 H1 DG B 107 44.547 46.249 -2.474 1.00 54.42 H ATOM 1959 H21 DG B 107 44.954 46.066 -5.723 1.00 64.62 H ATOM 1960 H22 DG B 107 45.652 46.272 -4.423 1.00 64.62 H ATOM 1961 HO5' DG B 107 35.853 48.632 -6.557 1.00 91.84 H ATOM 1962 P DG B 108 38.806 43.375 -9.336 1.00 79.16 P ATOM 1963 OP1 DG B 108 38.607 43.626 -10.790 1.00 68.42 O ATOM 1964 OP2 DG B 108 38.064 42.310 -8.597 1.00 72.09 O1- ATOM 1965 O5' DG B 108 40.387 43.147 -9.192 1.00 67.55 O ATOM 1966 C5' DG B 108 41.268 44.114 -9.698 1.00 62.24 C ATOM 1967 C4' DG B 108 42.703 43.610 -9.696 1.00 69.31 C ATOM 1968 O4' DG B 108 43.249 43.706 -8.351 1.00 60.71 O ATOM 1969 C3' DG B 108 42.908 42.142 -10.107 1.00 73.24 C ATOM 1970 O3' DG B 108 44.201 42.027 -10.761 1.00 70.62 O ATOM 1971 C2' DG B 108 42.813 41.407 -8.760 1.00 60.87 C ATOM 1972 C1' DG B 108 43.508 42.404 -7.830 1.00 59.20 C ATOM 1973 N9 DG B 108 43.072 42.414 -6.447 1.00 53.11 N ATOM 1974 C8 DG B 108 41.792 42.360 -5.952 1.00 56.58 C ATOM 1975 N7 DG B 108 41.741 42.445 -4.640 1.00 50.43 N ATOM 1976 C5 DG B 108 43.069 42.575 -4.267 1.00 47.91 C ATOM 1977 C6 DG B 108 43.659 42.708 -2.987 1.00 47.62 C ATOM 1978 O6 DG B 108 43.108 42.755 -1.888 1.00 49.77 O ATOM 1979 N1 DG B 108 45.034 42.833 -3.068 1.00 48.58 N ATOM 1980 C2 DG B 108 45.761 42.812 -4.225 1.00 47.30 C ATOM 1981 N2 DG B 108 47.093 42.928 -4.092 1.00 53.25 N ATOM 1982 N3 DG B 108 45.233 42.659 -5.422 1.00 47.43 N ATOM 1983 C4 DG B 108 43.889 42.569 -5.370 1.00 49.46 C ATOM 1984 H5' DG B 108 41.212 44.913 -9.151 1.00 74.69 H ATOM 1985 H5'' DG B 108 41.010 44.333 -10.607 1.00 74.69 H ATOM 1986 H4' DG B 108 43.229 44.173 -10.286 1.00 83.17 H ATOM 1987 H3' DG B 108 42.197 41.856 -10.702 1.00 87.88 H ATOM 1988 H2' DG B 108 41.888 41.276 -8.499 1.00 73.05 H ATOM 1989 H2'' DG B 108 43.294 40.565 -8.789 1.00 73.05 H ATOM 1990 H1' DG B 108 44.464 42.241 -7.855 1.00 71.04 H ATOM 1991 H8 DG B 108 41.039 42.261 -6.489 1.00 67.89 H ATOM 1992 H1 DG B 108 45.468 42.910 -2.330 1.00 58.29 H ATOM 1993 H21 DG B 108 47.598 42.902 -4.787 1.00 63.90 H ATOM 1994 H22 DG B 108 47.440 43.028 -3.312 1.00 63.90 H ATOM 1995 P DT B 109 44.806 40.639 -11.307 1.00 79.30 P ATOM 1996 OP1 DT B 109 45.549 40.980 -12.543 1.00 77.58 O ATOM 1997 OP2 DT B 109 43.802 39.552 -11.270 1.00 77.31 O1- ATOM 1998 O5' DT B 109 45.940 40.298 -10.239 1.00 72.85 O ATOM 1999 C5' DT B 109 46.921 41.255 -9.967 1.00 62.80 C ATOM 2000 C4' DT B 109 47.834 40.805 -8.848 1.00 60.16 C ATOM 2001 O4' DT B 109 47.102 40.760 -7.589 1.00 57.62 O ATOM 2002 C3' DT B 109 48.443 39.419 -9.038 1.00 51.17 C ATOM 2003 O3' DT B 109 49.861 39.506 -8.818 1.00 51.76 O ATOM 2004 C2' DT B 109 47.692 38.547 -8.006 1.00 58.67 C ATOM 2005 C1' DT B 109 47.409 39.550 -6.906 1.00 54.34 C ATOM 2006 N1 DT B 109 46.249 39.283 -5.949 1.00 50.58 N ATOM 2007 C2 DT B 109 46.458 39.456 -4.568 1.00 52.24 C ATOM 2008 O2 DT B 109 47.560 39.699 -4.068 1.00 57.78 O ATOM 2009 N3 DT B 109 45.327 39.319 -3.786 1.00 51.71 N ATOM 2010 C4 DT B 109 44.054 39.061 -4.212 1.00 46.36 C ATOM 2011 O4 DT B 109 43.122 38.951 -3.435 1.00 55.86 O ATOM 2012 C5 DT B 109 43.889 38.936 -5.646 1.00 47.28 C ATOM 2013 C7 DT B 109 42.538 38.646 -6.211 1.00 44.96 C ATOM 2014 C6 DT B 109 44.983 39.073 -6.441 1.00 47.53 C ATOM 2015 H5' DT B 109 46.491 42.086 -9.711 1.00 75.36 H ATOM 2016 H5'' DT B 109 47.449 41.405 -10.767 1.00 75.36 H ATOM 2017 H4' DT B 109 48.555 41.448 -8.762 1.00 72.19 H ATOM 2018 H3' DT B 109 48.264 39.099 -9.936 1.00 61.41 H ATOM 2019 H2' DT B 109 46.866 38.201 -8.380 1.00 70.41 H ATOM 2020 H2'' DT B 109 48.257 37.828 -7.683 1.00 70.41 H ATOM 2021 H1' DT B 109 48.218 39.680 -6.387 1.00 65.21 H ATOM 2022 H3 DT B 109 45.439 39.387 -2.936 1.00 62.05 H ATOM 2023 H71 DT B 109 41.895 38.572 -5.489 1.00 53.95 H ATOM 2024 H72 DT B 109 42.275 39.365 -6.807 1.00 53.95 H ATOM 2025 H73 DT B 109 42.567 37.811 -6.705 1.00 53.95 H ATOM 2026 H6 DT B 109 44.873 39.003 -7.362 1.00 57.04 H ATOM 2027 P DC B 110 50.849 38.414 -9.468 1.00 62.32 P ATOM 2028 OP1 DC B 110 52.186 38.991 -9.518 1.00 51.18 O ATOM 2029 OP2 DC B 110 50.169 37.759 -10.607 1.00 55.68 O1- ATOM 2030 O5' DC B 110 50.909 37.276 -8.361 1.00 60.88 O ATOM 2031 C5' DC B 110 51.483 37.561 -7.084 1.00 59.34 C ATOM 2032 C4' DC B 110 51.215 36.404 -6.141 1.00 60.00 C ATOM 2033 O4' DC B 110 49.835 36.478 -5.678 1.00 50.91 O ATOM 2034 C3' DC B 110 51.349 35.016 -6.803 1.00 52.59 C ATOM 2035 O3' DC B 110 51.967 34.136 -5.979 1.00 53.18 O ATOM 2036 C2' DC B 110 49.902 34.619 -7.028 1.00 46.30 C ATOM 2037 C1' DC B 110 49.286 35.203 -5.787 1.00 45.05 C ATOM 2038 N1 DC B 110 47.817 35.300 -5.779 1.00 48.67 N ATOM 2039 C2 DC B 110 47.205 35.524 -4.557 1.00 43.20 C ATOM 2040 O2 DC B 110 47.928 35.681 -3.563 1.00 44.25 O ATOM 2041 N3 DC B 110 45.876 35.605 -4.497 1.00 42.31 N ATOM 2042 C4 DC B 110 45.147 35.446 -5.611 1.00 49.32 C ATOM 2043 N4 DC B 110 43.822 35.501 -5.502 1.00 43.25 N ATOM 2044 C5 DC B 110 45.756 35.202 -6.883 1.00 48.27 C ATOM 2045 C6 DC B 110 47.088 35.133 -6.915 1.00 48.72 C ATOM 2046 H5' DC B 110 51.087 38.370 -6.724 1.00 71.21 H ATOM 2047 H5'' DC B 110 52.441 37.685 -7.180 1.00 71.21 H ATOM 2048 H4' DC B 110 51.815 36.459 -5.381 1.00 72.00 H ATOM 2049 H3' DC B 110 51.819 35.085 -7.649 1.00 63.11 H ATOM 2050 H2' DC B 110 49.543 35.034 -7.828 1.00 55.56 H ATOM 2051 H2'' DC B 110 49.801 33.654 -7.050 1.00 55.56 H ATOM 2052 H1' DC B 110 49.567 34.676 -5.022 1.00 54.06 H ATOM 2053 H41 DC B 110 43.329 35.403 -6.199 1.00 51.90 H ATOM 2054 H42 DC B 110 43.459 35.636 -4.734 1.00 51.90 H ATOM 2055 H5 DC B 110 45.246 35.082 -7.651 1.00 57.92 H ATOM 2056 H6 DC B 110 47.522 34.967 -7.721 1.00 58.47 H ATOM 2057 P DA B 111 53.563 34.070 -5.822 1.00 58.87 P ATOM 2058 OP1 DA B 111 54.262 35.291 -6.258 1.00 54.48 O1- ATOM 2059 OP2 DA B 111 53.965 32.813 -6.486 1.00 50.35 O ATOM 2060 O5' DA B 111 53.658 34.312 -4.252 1.00 63.34 O ATOM 2061 C5' DA B 111 54.276 33.506 -3.466 1.00 54.52 C ATOM 2062 C4' DA B 111 53.487 33.289 -2.201 1.00 52.44 C ATOM 2063 O4' DA B 111 52.050 33.556 -2.382 1.00 48.37 O ATOM 2064 C3' DA B 111 53.561 31.844 -1.776 1.00 47.56 C ATOM 2065 O3' DA B 111 53.473 31.741 -0.431 1.00 49.95 O ATOM 2066 C2' DA B 111 52.394 31.244 -2.476 1.00 41.40 C ATOM 2067 C1' DA B 111 51.355 32.302 -2.196 1.00 45.91 C ATOM 2068 N9 DA B 111 50.195 32.203 -3.048 1.00 39.80 N ATOM 2069 C8 DA B 111 50.162 31.874 -4.385 1.00 44.50 C ATOM 2070 N7 DA B 111 48.940 31.837 -4.889 1.00 42.47 N ATOM 2071 C5 DA B 111 48.126 32.172 -3.803 1.00 44.69 C ATOM 2072 C6 DA B 111 46.744 32.322 -3.664 1.00 44.63 C ATOM 2073 N6 DA B 111 45.877 32.165 -4.666 1.00 49.71 N ATOM 2074 N1 DA B 111 46.268 32.632 -2.436 1.00 44.34 N ATOM 2075 C2 DA B 111 47.132 32.846 -1.460 1.00 44.67 C ATOM 2076 N3 DA B 111 48.441 32.748 -1.475 1.00 42.87 N ATOM 2077 C4 DA B 111 48.882 32.395 -2.673 1.00 42.42 C ATOM 2078 H5' DA B 111 55.143 33.879 -3.242 1.00 65.43 H ATOM 2079 H5'' DA B 111 54.400 32.655 -3.914 1.00 65.43 H ATOM 2080 H4' DA B 111 53.838 33.855 -1.495 1.00 62.92 H ATOM 2081 H3' DA B 111 54.386 31.443 -2.092 1.00 57.07 H ATOM 2082 H2' DA B 111 52.561 31.159 -3.428 1.00 49.69 H ATOM 2083 H2'' DA B 111 52.146 30.394 -2.081 1.00 49.69 H ATOM 2084 H1' DA B 111 51.074 32.231 -1.270 1.00 55.09 H ATOM 2085 H8 DA B 111 50.925 31.685 -4.883 1.00 53.41 H ATOM 2086 H61 DA B 111 45.034 32.260 -4.524 1.00 59.66 H ATOM 2087 H62 DA B 111 46.160 31.968 -5.453 1.00 59.66 H ATOM 2088 H2 DA B 111 46.758 33.070 -0.638 1.00 53.61 H ATOM 2089 P DA B 112 54.621 30.919 0.307 1.00 42.59 P ATOM 2090 OP1 DA B 112 55.828 31.720 0.399 1.00 49.57 O ATOM 2091 OP2 DA B 112 54.709 29.607 -0.435 1.00 47.79 O1- ATOM 2092 O5' DA B 112 53.917 30.680 1.731 1.00 43.29 O ATOM 2093 C5' DA B 112 52.998 29.635 1.851 1.00 41.33 C ATOM 2094 C4' DA B 112 51.755 30.070 2.521 1.00 46.96 C ATOM 2095 O4' DA B 112 50.981 30.848 1.609 1.00 44.14 O ATOM 2096 C3' DA B 112 50.849 28.916 2.926 1.00 47.60 C ATOM 2097 O3' DA B 112 51.119 28.510 4.213 1.00 47.89 O ATOM 2098 C2' DA B 112 49.468 29.489 2.801 1.00 47.20 C ATOM 2099 C1' DA B 112 49.627 30.462 1.665 1.00 46.44 C ATOM 2100 N9 DA B 112 49.225 29.958 0.363 1.00 43.44 N ATOM 2101 C8 DA B 112 50.025 29.628 -0.689 1.00 42.15 C ATOM 2102 N7 DA B 112 49.348 29.276 -1.775 1.00 46.24 N ATOM 2103 C5 DA B 112 48.005 29.432 -1.398 1.00 38.68 C ATOM 2104 C6 DA B 112 46.765 29.233 -2.073 1.00 41.27 C ATOM 2105 N6 DA B 112 46.650 28.805 -3.317 1.00 44.93 N ATOM 2106 N1 DA B 112 45.622 29.469 -1.385 1.00 43.48 N ATOM 2107 C2 DA B 112 45.719 29.889 -0.119 1.00 42.40 C ATOM 2108 N3 DA B 112 46.813 30.102 0.618 1.00 45.60 N ATOM 2109 C4 DA B 112 47.929 29.844 -0.084 1.00 41.21 C ATOM 2110 H5' DA B 112 53.401 28.919 2.366 1.00 49.60 H ATOM 2111 H5'' DA B 112 52.780 29.303 0.966 1.00 49.60 H ATOM 2112 H4' DA B 112 51.973 30.603 3.301 1.00 56.35 H ATOM 2113 H3' DA B 112 50.959 28.175 2.310 1.00 57.12 H ATOM 2114 H2' DA B 112 48.827 28.797 2.575 1.00 56.64 H ATOM 2115 H2'' DA B 112 49.210 29.949 3.615 1.00 56.64 H ATOM 2116 H1' DA B 112 49.095 31.248 1.862 1.00 55.72 H ATOM 2117 H8 DA B 112 50.954 29.630 -0.645 1.00 50.58 H ATOM 2118 H61 DA B 112 45.870 28.687 -3.661 1.00 53.92 H ATOM 2119 H62 DA B 112 47.354 28.645 -3.784 1.00 53.92 H ATOM 2120 H2 DA B 112 44.910 30.043 0.313 1.00 50.88 H ATOM 2121 P DG B 113 50.918 26.967 4.591 1.00 43.15 P ATOM 2122 OP1 DG B 113 51.512 26.864 5.941 1.00 45.35 O1- ATOM 2123 OP2 DG B 113 51.505 26.154 3.490 1.00 47.24 O ATOM 2124 O5' DG B 113 49.349 26.816 4.592 1.00 41.92 O ATOM 2125 C5' DG B 113 48.606 27.507 5.533 1.00 41.13 C ATOM 2126 C4' DG B 113 47.167 27.206 5.346 1.00 47.07 C ATOM 2127 O4' DG B 113 46.835 27.529 3.962 1.00 46.37 O ATOM 2128 C3' DG B 113 46.773 25.730 5.549 1.00 48.61 C ATOM 2129 O3' DG B 113 45.445 25.629 6.103 1.00 42.68 O ATOM 2130 C2' DG B 113 46.834 25.187 4.140 1.00 46.75 C ATOM 2131 C1' DG B 113 46.313 26.392 3.332 1.00 47.01 C ATOM 2132 N9 DG B 113 46.761 26.348 1.963 1.00 48.99 N ATOM 2133 C8 DG B 113 48.062 26.314 1.515 1.00 39.45 C ATOM 2134 N7 DG B 113 48.150 26.165 0.215 1.00 44.41 N ATOM 2135 C5 DG B 113 46.816 26.116 -0.210 1.00 45.07 C ATOM 2136 C6 DG B 113 46.264 25.968 -1.500 1.00 40.28 C ATOM 2137 O6 DG B 113 46.835 25.883 -2.558 1.00 41.53 O ATOM 2138 N1 DG B 113 44.881 25.971 -1.479 1.00 42.12 N ATOM 2139 C2 DG B 113 44.123 26.065 -0.352 1.00 45.06 C ATOM 2140 N2 DG B 113 42.798 26.013 -0.529 1.00 47.03 N ATOM 2141 N3 DG B 113 44.627 26.171 0.871 1.00 41.46 N ATOM 2142 C4 DG B 113 45.961 26.202 0.861 1.00 42.20 C ATOM 2143 H5' DG B 113 48.753 28.460 5.425 1.00 49.35 H ATOM 2144 H5'' DG B 113 48.880 27.237 6.424 1.00 49.35 H ATOM 2145 H4' DG B 113 46.641 27.763 5.940 1.00 56.48 H ATOM 2146 H3' DG B 113 47.418 25.280 6.116 1.00 58.33 H ATOM 2147 H2' DG B 113 47.745 24.969 3.891 1.00 56.10 H ATOM 2148 H2'' DG B 113 46.248 24.421 4.038 1.00 56.10 H ATOM 2149 H1' DG B 113 45.344 26.415 3.362 1.00 56.41 H ATOM 2150 H8 DG B 113 48.801 26.359 2.078 1.00 47.34 H ATOM 2151 H1 DG B 113 44.471 25.885 -2.230 1.00 50.55 H ATOM 2152 H21 DG B 113 42.272 26.049 0.149 1.00 56.44 H ATOM 2153 H22 DG B 113 42.473 25.944 -1.323 1.00 56.44 H ATOM 2154 P DG B 114 44.747 24.185 6.347 1.00 49.43 P ATOM 2155 OP1 DG B 114 43.804 24.328 7.475 1.00 53.86 O1- ATOM 2156 OP2 DG B 114 45.811 23.151 6.380 1.00 50.54 O ATOM 2157 O5' DG B 114 43.819 23.965 5.061 1.00 50.19 O ATOM 2158 C5' DG B 114 42.869 24.954 4.687 1.00 45.89 C ATOM 2159 C4' DG B 114 41.747 24.349 3.865 1.00 55.96 C ATOM 2160 O4' DG B 114 42.125 24.284 2.451 1.00 51.07 O ATOM 2161 C3' DG B 114 41.372 22.925 4.259 1.00 52.55 C ATOM 2162 O3' DG B 114 40.008 22.785 4.094 1.00 52.19 O ATOM 2163 C2' DG B 114 42.197 22.064 3.296 1.00 49.10 C ATOM 2164 C1' DG B 114 42.234 22.929 2.028 1.00 45.04 C ATOM 2165 N9 DG B 114 43.454 22.809 1.219 1.00 43.71 N ATOM 2166 C8 DG B 114 44.772 22.902 1.646 1.00 47.16 C ATOM 2167 N7 DG B 114 45.647 22.768 0.667 1.00 44.95 N ATOM 2168 C5 DG B 114 44.857 22.609 -0.478 1.00 42.28 C ATOM 2169 C6 DG B 114 45.233 22.434 -1.844 1.00 41.50 C ATOM 2170 O6 DG B 114 46.367 22.407 -2.334 1.00 40.68 O ATOM 2171 N1 DG B 114 44.134 22.306 -2.669 1.00 41.37 N ATOM 2172 C2 DG B 114 42.830 22.336 -2.245 1.00 44.30 C ATOM 2173 N2 DG B 114 41.900 22.186 -3.194 1.00 48.89 N ATOM 2174 N3 DG B 114 42.457 22.503 -0.980 1.00 41.16 N ATOM 2175 C4 DG B 114 43.516 22.638 -0.154 1.00 42.94 C ATOM 2176 H5' DG B 114 43.312 25.641 4.165 1.00 55.07 H ATOM 2177 H5'' DG B 114 42.496 25.356 5.488 1.00 55.07 H ATOM 2178 H4' DG B 114 40.962 24.912 3.951 1.00 67.15 H ATOM 2179 H3' DG B 114 41.626 22.749 5.179 1.00 63.06 H ATOM 2180 H2' DG B 114 43.092 21.922 3.642 1.00 58.92 H ATOM 2181 H2'' DG B 114 41.754 21.219 3.124 1.00 58.92 H ATOM 2182 H1' DG B 114 41.467 22.709 1.476 1.00 54.05 H ATOM 2183 H8 DG B 114 45.015 23.027 2.535 1.00 56.59 H ATOM 2184 H1 DG B 114 44.278 22.192 -3.509 1.00 49.64 H ATOM 2185 H21 DG B 114 41.066 22.198 -2.985 1.00 58.66 H ATOM 2186 H22 DG B 114 42.136 22.078 -4.014 1.00 58.66 H ATOM 2187 P DC B 115 39.221 21.437 4.465 1.00 57.03 P ATOM 2188 OP1 DC B 115 37.874 21.911 4.841 1.00 59.10 O1- ATOM 2189 OP2 DC B 115 39.951 20.566 5.415 1.00 53.03 O ATOM 2190 O5' DC B 115 39.119 20.749 3.037 1.00 54.04 O ATOM 2191 C5' DC B 115 38.381 21.391 2.020 1.00 55.51 C ATOM 2192 C4' DC B 115 38.450 20.588 0.747 1.00 59.41 C ATOM 2193 O4' DC B 115 39.812 20.583 0.238 1.00 56.06 O ATOM 2194 C3' DC B 115 38.061 19.101 0.897 1.00 57.73 C ATOM 2195 O3' DC B 115 36.987 18.822 -0.017 1.00 67.42 O ATOM 2196 C2' DC B 115 39.364 18.346 0.563 1.00 55.61 C ATOM 2197 C1' DC B 115 40.059 19.335 -0.351 1.00 54.37 C ATOM 2198 N1 DC B 115 41.514 19.198 -0.480 1.00 45.01 N ATOM 2199 C2 DC B 115 42.064 18.920 -1.732 1.00 47.97 C ATOM 2200 O2 DC B 115 41.305 18.701 -2.693 1.00 49.66 O ATOM 2201 N3 DC B 115 43.421 18.867 -1.855 1.00 48.04 N ATOM 2202 C4 DC B 115 44.196 19.101 -0.790 1.00 45.85 C ATOM 2203 N4 DC B 115 45.517 19.012 -0.956 1.00 45.61 N ATOM 2204 C5 DC B 115 43.644 19.404 0.503 1.00 44.56 C ATOM 2205 C6 DC B 115 42.316 19.444 0.608 1.00 46.58 C ATOM 2206 H5' DC B 115 38.751 22.274 1.863 1.00 66.61 H ATOM 2207 H5'' DC B 115 37.456 21.474 2.298 1.00 66.61 H ATOM 2208 H4' DC B 115 37.870 20.998 0.086 1.00 71.29 H ATOM 2209 H3' DC B 115 37.787 18.915 1.809 1.00 69.27 H ATOM 2210 H2' DC B 115 39.888 18.187 1.364 1.00 66.74 H ATOM 2211 H2'' DC B 115 39.175 17.517 0.098 1.00 66.74 H ATOM 2212 H1' DC B 115 39.651 19.307 -1.231 1.00 65.24 H ATOM 2213 H41 DC B 115 46.045 19.156 -0.292 1.00 54.74 H ATOM 2214 H42 DC B 115 45.842 18.811 -1.726 1.00 54.74 H ATOM 2215 H5 DC B 115 44.192 19.561 1.238 1.00 53.47 H ATOM 2216 H6 DC B 115 41.927 19.664 1.423 1.00 55.90 H ATOM 2217 P DT B 116 36.027 17.538 0.105 1.00 63.12 P ATOM 2218 OP1 DT B 116 34.727 17.938 -0.500 1.00 62.96 O ATOM 2219 OP2 DT B 116 36.078 16.952 1.474 1.00 60.72 O1- ATOM 2220 O5' DT B 116 36.703 16.548 -0.931 1.00 55.80 O ATOM 2221 C5' DT B 116 36.799 16.934 -2.288 1.00 54.38 C ATOM 2222 C4' DT B 116 37.620 15.933 -3.055 1.00 64.94 C ATOM 2223 O4' DT B 116 39.042 16.157 -2.806 1.00 60.06 O ATOM 2224 C3' DT B 116 37.365 14.464 -2.665 1.00 61.21 C ATOM 2225 O3' DT B 116 37.360 13.696 -3.794 1.00 70.58 O ATOM 2226 C2' DT B 116 38.569 14.140 -1.774 1.00 59.97 C ATOM 2227 C1' DT B 116 39.641 14.906 -2.520 1.00 56.80 C ATOM 2228 N1 DT B 116 40.894 15.156 -1.796 1.00 54.25 N ATOM 2229 C2 DT B 116 42.064 15.182 -2.521 1.00 49.81 C ATOM 2230 O2 DT B 116 42.117 14.980 -3.749 1.00 47.28 O ATOM 2231 N3 DT B 116 43.163 15.442 -1.776 1.00 51.25 N ATOM 2232 C4 DT B 116 43.220 15.671 -0.420 1.00 46.10 C ATOM 2233 O4 DT B 116 44.262 15.901 0.142 1.00 49.53 O ATOM 2234 C5 DT B 116 41.976 15.603 0.281 1.00 49.42 C ATOM 2235 C7 DT B 116 41.935 15.826 1.763 1.00 54.38 C ATOM 2236 C6 DT B 116 40.878 15.369 -0.429 1.00 48.52 C ATOM 2237 H5' DT B 116 37.221 17.806 -2.344 1.00 65.26 H ATOM 2238 H5'' DT B 116 35.910 16.983 -2.671 1.00 65.26 H ATOM 2239 H4' DT B 116 37.445 16.042 -4.003 1.00 77.93 H ATOM 2240 H3' DT B 116 36.534 14.374 -2.174 1.00 73.45 H ATOM 2241 H2' DT B 116 38.447 14.487 -0.877 1.00 71.96 H ATOM 2242 H2'' DT B 116 38.756 13.188 -1.768 1.00 71.96 H ATOM 2243 H1' DT B 116 39.839 14.450 -3.352 1.00 68.15 H ATOM 2244 H3 DT B 116 43.912 15.469 -2.198 1.00 61.49 H ATOM 2245 H71 DT B 116 41.363 16.584 1.960 1.00 65.25 H ATOM 2246 H72 DT B 116 41.583 15.034 2.199 1.00 65.25 H ATOM 2247 H73 DT B 116 42.831 16.003 2.089 1.00 65.25 H ATOM 2248 H6 DT B 116 40.062 15.334 0.015 1.00 58.22 H ATOM 2249 P DA B 117 36.042 12.993 -4.391 1.00 75.33 P ATOM 2250 OP1 DA B 117 34.892 13.935 -4.479 1.00 83.75 O1- ATOM 2251 OP2 DA B 117 35.876 11.770 -3.577 1.00 65.95 O ATOM 2252 O5' DA B 117 36.518 12.827 -5.926 1.00 64.48 O ATOM 2253 C5' DA B 117 36.441 11.620 -6.577 1.00 79.13 C ATOM 2254 C4' DA B 117 37.619 11.410 -7.533 1.00 69.51 C ATOM 2255 O4' DA B 117 38.797 12.173 -7.088 1.00 72.04 O ATOM 2256 C3' DA B 117 38.021 9.962 -7.603 1.00 70.57 C ATOM 2257 O3' DA B 117 37.545 9.328 -8.877 1.00 81.44 O ATOM 2258 C2' DA B 117 39.539 9.946 -7.408 1.00 69.94 C ATOM 2259 C1' DA B 117 39.928 11.320 -6.932 1.00 64.11 C ATOM 2260 N9 DA B 117 40.417 11.382 -5.530 1.00 57.33 N ATOM 2261 C8 DA B 117 39.693 11.281 -4.362 1.00 55.87 C ATOM 2262 N7 DA B 117 40.421 11.425 -3.267 1.00 55.86 N ATOM 2263 C5 DA B 117 41.707 11.663 -3.753 1.00 53.11 C ATOM 2264 C6 DA B 117 42.947 11.936 -3.115 1.00 47.34 C ATOM 2265 N6 DA B 117 43.103 12.021 -1.793 1.00 51.81 N ATOM 2266 N1 DA B 117 44.032 12.104 -3.899 1.00 48.54 N ATOM 2267 C2 DA B 117 43.885 12.044 -5.233 1.00 50.23 C ATOM 2268 N3 DA B 117 42.778 11.812 -5.949 1.00 50.44 N ATOM 2269 C4 DA B 117 41.718 11.630 -5.141 1.00 51.20 C ATOM 2270 H5' DA B 117 35.614 11.586 -7.083 1.00 94.96 H ATOM 2271 H5'' DA B 117 36.438 10.907 -5.919 1.00 94.96 H ATOM 2272 H4' DA B 117 37.365 11.710 -8.419 1.00 83.41 H ATOM 2273 H3' DA B 117 37.612 9.494 -6.858 1.00 84.69 H ATOM 2274 H2' DA B 117 39.782 9.284 -6.743 1.00 83.93 H ATOM 2275 H2'' DA B 117 39.980 9.750 -8.250 1.00 83.93 H ATOM 2276 H1' DA B 117 40.634 11.649 -7.510 1.00 76.93 H ATOM 2277 H8 DA B 117 38.778 11.116 -4.345 1.00 67.05 H ATOM 2278 H61 DA B 117 43.881 12.180 -1.462 1.00 62.17 H ATOM 2279 H62 DA B 117 42.427 11.917 -1.273 1.00 62.17 H ATOM 2280 H2 DA B 117 44.660 12.183 -5.728 1.00 60.27 H ATOM 2281 P DG B 118 38.385 9.414 -10.242 1.00 79.89 P ATOM 2282 OP1 DG B 118 38.706 10.867 -10.395 1.00 77.81 O1- ATOM 2283 OP2 DG B 118 37.696 8.706 -11.337 1.00 72.18 O ATOM 2284 O5' DG B 118 39.699 8.525 -9.933 1.00 69.60 O ATOM 2285 C5' DG B 118 40.997 9.011 -10.328 1.00 71.45 C ATOM 2286 C4' DG B 118 42.102 8.355 -9.530 1.00 66.74 C ATOM 2287 O4' DG B 118 42.090 8.824 -8.168 1.00 69.19 O ATOM 2288 C3' DG B 118 41.991 6.842 -9.416 1.00 68.84 C ATOM 2289 O3' DG B 118 42.839 6.217 -10.361 1.00 75.38 O ATOM 2290 C2' DG B 118 42.398 6.540 -7.962 1.00 67.22 C ATOM 2291 C1' DG B 118 42.815 7.897 -7.419 1.00 62.27 C ATOM 2292 N9 DG B 118 42.537 8.066 -5.994 1.00 59.72 N ATOM 2293 C8 DG B 118 41.338 7.915 -5.358 1.00 51.30 C ATOM 2294 N7 DG B 118 41.416 8.078 -4.066 1.00 53.77 N ATOM 2295 C5 DG B 118 42.749 8.377 -3.834 1.00 50.00 C ATOM 2296 C6 DG B 118 43.428 8.644 -2.617 1.00 51.73 C ATOM 2297 O6 DG B 118 42.964 8.690 -1.482 1.00 57.59 O ATOM 2298 N1 DG B 118 44.775 8.865 -2.816 1.00 51.22 N ATOM 2299 C2 DG B 118 45.398 8.832 -4.049 1.00 52.54 C ATOM 2300 N2 DG B 118 46.714 9.070 -4.056 1.00 50.65 N ATOM 2301 N3 DG B 118 44.772 8.579 -5.192 1.00 52.03 N ATOM 2302 C4 DG B 118 43.458 8.355 -5.005 1.00 51.88 C ATOM 2303 H5' DG B 118 41.032 9.970 -10.188 1.00 85.74 H ATOM 2304 H5'' DG B 118 41.132 8.823 -11.270 1.00 85.74 H ATOM 2305 H4' DG B 118 42.956 8.578 -9.932 1.00 80.09 H ATOM 2306 H3' DG B 118 41.073 6.567 -9.565 1.00 82.61 H ATOM 2307 HO3' DG B 118 43.450 5.703 -10.101 1.00 90.45 H ATOM 2308 H2' DG B 118 41.643 6.190 -7.463 1.00 80.66 H ATOM 2309 H2'' DG B 118 43.142 5.919 -7.938 1.00 80.66 H ATOM 2310 H1' DG B 118 43.763 8.028 -7.579 1.00 74.72 H ATOM 2311 H8 DG B 118 40.547 7.705 -5.801 1.00 61.56 H ATOM 2312 H1 DG B 118 45.257 9.047 -2.128 1.00 61.46 H ATOM 2313 H21 DG B 118 47.149 9.058 -4.798 1.00 60.78 H ATOM 2314 H22 DG B 118 47.125 9.234 -3.319 1.00 60.78 H TER 2315 DG B 118 HETATM 2316 ZN ZN A 201 66.478 7.771 -0.943 1.00 54.57 ZN HETATM 2317 ZN ZN A 202 58.992 19.349 -8.274 1.00 42.85 ZN HETATM 2318 C1 GOL C 201 39.757 17.338 -8.909 1.00 53.71 C HETATM 2319 O1 GOL C 201 40.565 17.672 -10.006 1.00 72.55 O HETATM 2320 C2 GOL C 201 40.640 17.374 -7.678 1.00 71.45 C HETATM 2321 O2 GOL C 201 39.816 17.461 -6.533 1.00 69.24 O HETATM 2322 C3 GOL C 201 41.486 16.091 -7.601 1.00 73.31 C HETATM 2323 O3 GOL C 201 40.732 15.101 -6.920 1.00 69.67 O HETATM 2324 H11 GOL C 201 39.334 16.342 -9.041 1.00 64.45 H HETATM 2325 H12 GOL C 201 38.941 18.054 -8.810 1.00 64.45 H HETATM 2326 HO1 GOL C 201 40.043 17.595 -10.832 1.00 87.06 H HETATM 2327 H2 GOL C 201 41.302 18.238 -7.735 1.00 85.74 H HETATM 2328 HO2 GOL C 201 39.233 16.674 -6.491 1.00 83.09 H HETATM 2329 H31 GOL C 201 42.414 16.287 -7.065 1.00 87.97 H HETATM 2330 H32 GOL C 201 41.733 15.747 -8.605 1.00 87.97 H HETATM 2331 HO3 GOL C 201 41.246 14.267 -6.885 1.00 83.61 H HETATM 2332 O HOH A 301 65.155 24.203 -11.847 1.00 62.05 O HETATM 2333 O HOH A 302 50.031 11.663 3.655 1.00 52.47 O HETATM 2334 O HOH A 303 60.122 5.843 -12.488 1.00 69.38 O HETATM 2335 O HOH A 304 53.346 22.342 -11.488 1.00 49.15 O HETATM 2336 O HOH A 305 70.024 6.335 -2.379 1.00 64.25 O HETATM 2337 O HOH A 306 48.655 22.507 -0.953 1.00 51.69 O HETATM 2338 O HOH A 307 53.179 16.165 -12.360 1.00 41.99 O HETATM 2339 O HOH A 308 53.828 31.495 5.135 1.00 44.57 O HETATM 2340 O HOH A 309 51.398 11.061 -10.714 1.00 58.60 O HETATM 2341 O HOH A 310 50.103 25.189 7.712 1.00 45.33 O HETATM 2342 O HOH A 311 47.112 19.228 1.821 1.00 52.72 O HETATM 2343 O HOH A 312 61.865 7.270 1.581 1.00 50.82 O HETATM 2344 O HOH A 313 68.226 18.977 -9.982 1.00 65.67 O HETATM 2345 O HOH A 314 66.334 25.052 3.088 1.00 51.92 O HETATM 2346 O HOH A 315 51.139 26.571 -0.192 1.00 44.58 O HETATM 2347 O HOH A 316 52.274 16.217 -15.584 1.00 52.99 O HETATM 2348 O HOH A 317 50.206 19.561 -4.854 1.00 47.99 O HETATM 2349 O HOH A 318 48.961 18.054 -0.085 1.00 55.39 O HETATM 2350 O HOH A 319 49.411 26.981 -7.196 1.00 46.31 O HETATM 2351 O HOH A 320 57.605 11.857 -2.594 1.00 46.97 O HETATM 2352 O HOH A 321 55.332 32.134 7.343 1.00 58.95 O HETATM 2353 O HOH A 322 54.669 29.697 11.694 1.00 47.76 O HETATM 2354 O HOH A 323 62.719 12.586 6.960 1.00 55.55 O HETATM 2355 O HOH A 324 53.047 19.509 -14.546 1.00 54.60 O HETATM 2356 O HOH A 325 41.654 27.736 6.427 1.00 67.58 O HETATM 2357 O HOH A 326 67.276 7.590 5.794 1.00 59.15 O HETATM 2358 O HOH A 327 48.559 23.496 -10.345 1.00 60.10 O HETATM 2359 O HOH A 328 54.027 32.080 10.243 1.00 61.38 O HETATM 2360 O HOH C 301 53.982 12.818 2.133 1.00 52.90 O HETATM 2361 O HOH C 302 37.674 30.547 -4.999 1.00 63.73 O HETATM 2362 O HOH C 303 53.342 19.303 -10.175 1.00 47.47 O HETATM 2363 O HOH C 304 44.800 29.015 -7.041 1.00 47.93 O HETATM 2364 O HOH C 305 50.865 17.878 -14.327 1.00 58.69 O HETATM 2365 O HOH C 306 55.515 8.122 -1.983 1.00 48.46 O HETATM 2366 O HOH C 307 45.341 13.420 1.606 1.00 53.60 O HETATM 2367 O HOH C 308 46.921 26.367 -7.448 1.00 61.17 O HETATM 2368 O HOH C 309 52.954 15.698 -3.900 1.00 39.92 O HETATM 2369 O HOH C 310 50.331 41.201 -2.317 1.00 56.57 O HETATM 2370 O HOH C 311 39.823 20.868 -6.249 1.00 61.34 O HETATM 2371 O HOH C 312 39.768 24.105 -1.075 1.00 54.54 O HETATM 2372 O HOH B 201 52.937 30.619 -6.064 1.00 42.90 O HETATM 2373 O HOH B 202 43.238 26.726 8.069 1.00 58.20 O HETATM 2374 O HOH B 203 52.868 28.110 -1.694 1.00 44.39 O HETATM 2375 O HOH B 204 49.726 33.802 0.670 1.00 50.35 O HETATM 2376 O HOH B 205 49.703 28.175 -4.285 1.00 48.30 O HETATM 2377 O HOH B 206 46.937 21.781 4.217 1.00 51.60 O HETATM 2378 O HOH B 207 48.593 31.093 -7.586 1.00 51.22 O HETATM 2379 O HOH B 208 45.742 31.236 -7.400 1.00 58.24 O HETATM 2380 O HOH B 209 52.288 33.583 1.477 1.00 45.38 O HETATM 2381 O HOH B 210 50.161 29.246 -7.065 1.00 51.49 O CONECT 54 2317 CONECT 94 2317 CONECT 296 2317 CONECT 332 2317 CONECT 613 2316 CONECT 702 2316 CONECT 883 2316 CONECT 928 2316 CONECT 2316 613 702 883 928 CONECT 2317 54 94 296 332 CONECT 2318 2319 2320 2324 2325 CONECT 2319 2318 2326 CONECT 2320 2318 2321 2322 2327 CONECT 2321 2320 2328 CONECT 2322 2320 2323 2329 2330 CONECT 2323 2322 2331 CONECT 2324 2318 CONECT 2325 2318 CONECT 2326 2319 CONECT 2327 2320 CONECT 2328 2321 CONECT 2329 2322 CONECT 2330 2322 CONECT 2331 2323 MASTER 330 0 3 4 2 0 3 6 1322 3 24 11 END
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Related entries of code: 5l0m
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5krb
RCSB PDB
PDBbind
16aa, >5KRB_3|Chain... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5l0m
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
human Liver Receptor Homolog-1 (LRH-1) DNA Binding Domain
Ligand Name
12-bp Oct4 promoter DNA
EC.Number
E.C.-.-.-.-
Resolution
2.2(Å)
Affinity (Kd/Ki/IC50)
Kd=60nM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J. Mol. Biol. Vol. 428: pp. 4981-4992
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
O00482
Entrez Gene ID
NCBI Entrez Gene ID:
2494
ASD
Information of known allosteric effects of PDB entries
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