Browse entries in the PDBbind-CN Database
HEADER HYDROLASE/DNA 22-SEP-12 3VYB TITLE CRYSTAL STRUCTURE OF METHYL CPG BINDING DOMAIN OF MBD4 IN COMPLEX WITH TITLE 2 THE 5MCG/HMCG SEQUENCE COMPND MOL_ID: 1; COMPND 2 MOLECULE: METHYL-CPG-BINDING DOMAIN PROTEIN 4; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: METHYL CPG BINDING DOMAIN, UNP RESIDUES 69-136; COMPND 5 SYNONYM: METHYL-CPG-BINDING PROTEIN MBD4, MISMATCH-SPECIFIC DNA N- COMPND 6 GLYCOSYLASE; COMPND 7 EC: 3.2.2.-; COMPND 8 ENGINEERED: YES; COMPND 9 MOL_ID: 2; COMPND 10 MOLECULE: DNA (5'-D(*GP*TP*CP*AP*CP*TP*AP*CP*(5CM)P*GP*GP*AP*CP*A)- COMPND 11 3'); COMPND 12 CHAIN: B; COMPND 13 ENGINEERED: YES; COMPND 14 MOL_ID: 3; COMPND 15 MOLECULE: DNA (5'-D(*GP*TP*CP*(5HC)P*GP*GP*TP*AP*GP*TP*GP*AP*CP*T)- COMPND 16 3'); COMPND 17 CHAIN: C; COMPND 18 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 3 ORGANISM_COMMON: MOUSE; SOURCE 4 ORGANISM_TAXID: 10090; SOURCE 5 GENE: MBD4; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 MOL_ID: 2; SOURCE 11 SYNTHETIC: YES; SOURCE 12 MOL_ID: 3; SOURCE 13 SYNTHETIC: YES KEYWDS METHYL CPG BINDING DOMAIN, PROTEIN-DNA COMPLEX, VERSATILE BASE KEYWDS 2 RECOGNITION, HYDROLASE-DNA COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR J.OTANI,K.ARITA,T.KATO,M.KINOSHITA,M.ARIYOSHI,M.SHIRAKAWA REVDAT 2 14-AUG-13 3VYB 1 JRNL REVDAT 1 16-JAN-13 3VYB 0 JRNL AUTH J.OTANI,K.ARITA,T.KATO,M.KINOSHITA,H.KIMURA,I.SUETAKE, JRNL AUTH 2 S.TAJIMA,M.ARIYOSHI,M.SHIRAKAWA JRNL TITL STRUCTURAL BASIS OF THE VERSATILE DNA RECOGNITION ABILITY OF JRNL TITL 2 THE METHYL-CPG BINDING DOMAIN OF METHYL-CPG BINDING DOMAIN JRNL TITL 3 PROTEIN 4 JRNL REF J.BIOL.CHEM. V. 288 6351 2013 JRNL REFN ISSN 0021-9258 JRNL PMID 23316048 JRNL DOI 10.1074/JBC.M112.431098 REMARK 2 REMARK 2 RESOLUTION. 2.40 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX (PHENIX.REFINE: 1.6.4_486) REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VICENT CHEN,IAN REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE- REMARK 3 : KUNSTLEVE,LI-WEI HUNG,ROBERT IMMORMINO, REMARK 3 : TOM IOERGER,AIRLIE MCCOY,ERIK MCKEE,NIGEL REMARK 3 : MORIARTY,REETAL PAI,RANDY READ,JANE REMARK 3 : RICHARDSON,DAVID RICHARDSON,TOD ROMO,JIM REMARK 3 : SACCHETTINI,NICHOLAS SAUTER,JACOB SMITH, REMARK 3 : LAURENT STORONI,TOM TERWILLIGER,PETER REMARK 3 : ZWART REMARK 3 REMARK 3 REFINEMENT TARGET : ML REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.40 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 34.70 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 95.5 REMARK 3 NUMBER OF REFLECTIONS : 9351 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.192 REMARK 3 R VALUE (WORKING SET) : 0.191 REMARK 3 FREE R VALUE : 0.220 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.880 REMARK 3 FREE R VALUE TEST SET COUNT : 456 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 34.7032 - 3.4607 0.99 3170 153 0.1716 0.1968 REMARK 3 2 3.4607 - 2.7472 0.99 3013 170 0.1948 0.2278 REMARK 3 3 2.7472 - 2.4000 0.89 2712 133 0.2838 0.3224 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL REMARK 3 SOLVENT RADIUS : 1.00 REMARK 3 SHRINKAGE RADIUS : 0.72 REMARK 3 K_SOL : 0.33 REMARK 3 B_SOL : 39.97 REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.430 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 24.350 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 48.25 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 47.90 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -11.02430 REMARK 3 B22 (A**2) : 8.10930 REMARK 3 B33 (A**2) : 2.91490 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 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 : 0.004 1171 REMARK 3 ANGLE : 1.008 1694 REMARK 3 CHIRALITY : 0.056 182 REMARK 3 PLANARITY : 0.003 118 REMARK 3 DIHEDRAL : 26.872 475 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 3 REMARK 3 TLS GROUP : 1 REMARK 3 SELECTION: chain A REMARK 3 ORIGIN FOR THE GROUP (A): 3.7555 12.0077 4.2199 REMARK 3 T TENSOR REMARK 3 T11: 0.1781 T22: 0.2414 REMARK 3 T33: 0.2715 T12: -0.0150 REMARK 3 T13: 0.0346 T23: 0.0650 REMARK 3 L TENSOR REMARK 3 L11: 0.5204 L22: 0.7592 REMARK 3 L33: 0.8684 L12: -0.0042 REMARK 3 L13: 0.5374 L23: 0.1364 REMARK 3 S TENSOR REMARK 3 S11: -0.0335 S12: 0.0180 S13: 0.1899 REMARK 3 S21: -0.1543 S22: 0.1438 S23: 0.0997 REMARK 3 S31: 0.0208 S32: 0.0187 S33: -0.1022 REMARK 3 TLS GROUP : 2 REMARK 3 SELECTION: chain B REMARK 3 ORIGIN FOR THE GROUP (A): 18.9074 12.4405 -14.1120 REMARK 3 T TENSOR REMARK 3 T11: 0.3464 T22: 0.3574 REMARK 3 T33: 0.5079 T12: -0.1182 REMARK 3 T13: 0.0550 T23: 0.1039 REMARK 3 L TENSOR REMARK 3 L11: 2.3511 L22: 0.6930 REMARK 3 L33: 0.6149 L12: 1.1076 REMARK 3 L13: 0.2227 L23: 0.0412 REMARK 3 S TENSOR REMARK 3 S11: -0.0025 S12: -0.4850 S13: -0.5973 REMARK 3 S21: -0.2576 S22: -0.0716 S23: -0.4990 REMARK 3 S31: -0.1390 S32: -0.1881 S33: 0.0227 REMARK 3 TLS GROUP : 3 REMARK 3 SELECTION: chain C REMARK 3 ORIGIN FOR THE GROUP (A): 22.4674 13.8384 -11.5003 REMARK 3 T TENSOR REMARK 3 T11: 0.2686 T22: 0.5933 REMARK 3 T33: 0.3734 T12: -0.0809 REMARK 3 T13: 0.0508 T23: -0.0093 REMARK 3 L TENSOR REMARK 3 L11: 1.9438 L22: 0.4368 REMARK 3 L33: 0.0450 L12: -0.9158 REMARK 3 L13: 0.2530 L23: -0.2555 REMARK 3 S TENSOR REMARK 3 S11: -0.3740 S12: -0.2072 S13: 0.4443 REMARK 3 S21: -0.2628 S22: 0.2009 S23: -0.3107 REMARK 3 S31: 0.0173 S32: 0.1768 S33: 0.1312 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 3VYB COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 10-OCT-12. REMARK 100 THE RCSB ID CODE IS RCSB095652. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 08-OCT-10 REMARK 200 TEMPERATURE (KELVIN) : 95 REMARK 200 PH : 4 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : PHOTON FACTORY REMARK 200 BEAMLINE : BL-17A REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.0 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315R REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 11517 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.190 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 89.6 REMARK 200 DATA REDUNDANCY : 6.500 REMARK 200 R MERGE (I) : 0.05200 REMARK 200 R SYM (I) : NULL REMARK 200
FOR THE DATA SET : 14.7000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.19 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.27 REMARK 200 COMPLETENESS FOR SHELL (%) : 54.7 REMARK 200 DATA REDUNDANCY IN SHELL : 4.10 REMARK 200 R MERGE FOR SHELL (I) : 0.31700 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200
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: MOLREP REMARK 200 STARTING MODEL: PDB ENTRY 3VXV REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 66.53 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.67 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 8% PEG 1500, 0.1M SODIUM ACETATE, 0.1M REMARK 280 SODIUM CACODYLATE, PH 4, VAPOR DIFFUSION, HANGING DROP, REMARK 280 TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 2 2 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -X,Y,-Z+1/2 REMARK 290 4555 X,-Y,-Z REMARK 290 5555 X+1/2,Y+1/2,Z REMARK 290 6555 -X+1/2,-Y+1/2,Z+1/2 REMARK 290 7555 -X+1/2,Y+1/2,-Z+1/2 REMARK 290 8555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 27.86250 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 27.86250 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 44.34650 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 48.87900 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 44.34650 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 48.87900 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 27.86250 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 44.34650 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 48.87900 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 27.86250 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 44.34650 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 48.87900 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 3250 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 10580 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -8.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C 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 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 HOH B 101 LIES ON A SPECIAL POSITION. 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 SER A 68 REMARK 465 GLY A 69 REMARK 465 HIS A 70 REMARK 465 LYS A 71 REMARK 465 LYS A 135 REMARK 465 GLY A 136 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 DG B 11 O4' - C1' - N9 ANGL. DEV. = 4.7 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ACT A 201 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 202 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 3VXV RELATED DB: PDB REMARK 900 RELATED ID: 3VXX RELATED DB: PDB REMARK 900 RELATED ID: 3VYQ RELATED DB: PDB DBREF 3VYB A 69 136 UNP Q9Z2D7 MBD4_MOUSE 69 136 DBREF 3VYB B 1 14 PDB 3VYB 3VYB 1 14 DBREF 3VYB C 1 14 PDB 3VYB 3VYB 1 14 SEQADV 3VYB SER A 68 UNP Q9Z2D7 EXPRESSION TAG SEQRES 1 A 69 SER GLY HIS LYS PRO VAL PRO CYS GLY TRP GLU ARG VAL SEQRES 2 A 69 VAL LYS GLN ARG LEU SER GLY LYS THR ALA GLY LYS PHE SEQRES 3 A 69 ASP VAL TYR PHE ILE SER PRO GLN GLY LEU LYS PHE ARG SEQRES 4 A 69 SER LYS ARG SER LEU ALA ASN TYR LEU LEU LYS ASN GLY SEQRES 5 A 69 GLU THR PHE LEU LYS PRO GLU ASP PHE ASN PHE THR VAL SEQRES 6 A 69 LEU PRO LYS GLY SEQRES 1 B 14 DG DT DC DA DC DT DA DC 5CM DG DG DA DC SEQRES 2 B 14 DA SEQRES 1 C 14 DG DT DC 5HC DG DG DT DA DG DT DG DA DC SEQRES 2 C 14 DT MODRES 3VYB 5CM B 9 DC MODRES 3VYB 5HC C 4 DC HET 5CM B 9 20 HET 5HC C 4 21 HET ACT A 201 4 HET EDO A 202 4 HETNAM 5CM 5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE HETNAM 5HC 2'-DEOXY-5-(HYDROXYMETHYL)CYTIDINE 5'-(DIHYDROGEN HETNAM 2 5HC PHOSPHATE) HETNAM ACT ACETATE ION HETNAM EDO 1,2-ETHANEDIOL HETSYN EDO ETHYLENE GLYCOL FORMUL 2 5CM C10 H16 N3 O7 P FORMUL 3 5HC C10 H16 N3 O8 P FORMUL 4 ACT C2 H3 O2 1- FORMUL 5 EDO C2 H6 O2 FORMUL 6 HOH *71(H2 O) HELIX 1 1 SER A 107 GLY A 119 1 13 HELIX 2 2 LYS A 124 PHE A 128 5 5 SHEET 1 A 3 GLU A 78 GLN A 83 0 SHEET 2 A 3 PHE A 93 ILE A 98 -1 O TYR A 96 N VAL A 80 SHEET 3 A 3 LYS A 104 PHE A 105 -1 O PHE A 105 N PHE A 97 SSBOND 1 CYS A 75 CYS A 75 1555 3555 2.03 LINK O3' DC B 8 P 5CM B 9 1555 1555 1.60 LINK O3' 5CM B 9 P DG B 10 1555 1555 1.60 LINK O3' DC C 3 P 5HC C 4 1555 1555 1.61 LINK O3' 5HC C 4 P DG C 5 1555 1555 1.61 SITE 1 AC1 2 GLU A 120 DT C 14 SITE 1 AC2 6 GLN A 83 ARG A 84 HOH A 323 DC C 3 SITE 2 AC2 6 5HC C 4 HOH C 106 CRYST1 88.693 97.758 55.725 90.00 90.00 90.00 C 2 2 21 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.011275 0.000000 0.000000 0.00000 SCALE2 0.000000 0.010229 0.000000 0.00000 SCALE3 0.000000 0.000000 0.017945 0.00000 ATOM 1 N PRO A 72 12.311 9.519 13.096 1.00 81.97 N ANISOU 1 N PRO A 72 9768 10715 10662 217 503 -62 N ATOM 2 CA PRO A 72 11.364 8.561 12.517 1.00 76.85 C ANISOU 2 CA PRO A 72 9168 10063 9969 195 473 5 C ATOM 3 C PRO A 72 10.538 9.175 11.386 1.00 64.52 C ANISOU 3 C PRO A 72 7597 8482 8435 144 482 84 C ATOM 4 O PRO A 72 10.971 10.133 10.744 1.00 65.23 O ANISOU 4 O PRO A 72 7656 8567 8561 120 509 83 O ATOM 5 CB PRO A 72 10.451 8.225 13.701 1.00 79.31 C ANISOU 5 CB PRO A 72 9490 10369 10274 216 461 23 C ATOM 6 CG PRO A 72 10.467 9.456 14.534 1.00 81.91 C ANISOU 6 CG PRO A 72 9766 10692 10664 234 495 -3 C ATOM 7 CD PRO A 72 11.877 9.986 14.426 1.00 84.91 C ANISOU 7 CD PRO A 72 10121 11078 11064 247 511 -77 C ATOM 8 N VAL A 73 9.362 8.609 11.145 1.00 46.67 N ANISOU 8 N VAL A 73 5365 6211 6158 124 456 154 N ATOM 9 CA VAL A 73 8.441 9.139 10.152 1.00 40.83 C ANISOU 9 CA VAL A 73 4619 5450 5445 80 454 232 C ATOM 10 C VAL A 73 7.301 9.860 10.870 1.00 37.85 C ANISOU 10 C VAL A 73 4201 5059 5123 83 464 271 C ATOM 11 O VAL A 73 6.631 9.276 11.721 1.00 39.04 O ANISOU 11 O VAL A 73 4356 5219 5258 98 452 281 O ATOM 12 CB VAL A 73 7.865 8.016 9.267 1.00 41.60 C ANISOU 12 CB VAL A 73 4774 5544 5490 53 411 286 C ATOM 13 CG1 VAL A 73 6.900 8.585 8.223 1.00 42.37 C ANISOU 13 CG1 VAL A 73 4866 5617 5617 8 402 367 C ATOM 14 CG2 VAL A 73 8.985 7.230 8.607 1.00 32.76 C ANISOU 14 CG2 VAL A 73 3696 4443 4310 62 399 239 C ATOM 15 N PRO A 74 7.092 11.142 10.548 1.00 30.31 N ANISOU 15 N PRO A 74 3206 4081 4229 69 483 289 N ATOM 16 CA PRO A 74 6.032 11.918 11.192 1.00 32.63 C ANISOU 16 CA PRO A 74 3457 4362 4580 81 491 316 C ATOM 17 C PRO A 74 4.691 11.192 11.167 1.00 38.60 C ANISOU 17 C PRO A 74 4220 5124 5321 67 465 383 C ATOM 18 O PRO A 74 4.348 10.526 10.192 1.00 44.61 O ANISOU 18 O PRO A 74 5018 5879 6054 32 434 434 O ATOM 19 CB PRO A 74 5.983 13.189 10.350 1.00 27.51 C ANISOU 19 CB PRO A 74 2786 3678 3990 55 496 343 C ATOM 20 CG PRO A 74 7.378 13.367 9.922 1.00 26.61 C ANISOU 20 CG PRO A 74 2684 3568 3860 44 512 295 C ATOM 21 CD PRO A 74 7.888 11.974 9.634 1.00 31.01 C ANISOU 21 CD PRO A 74 3287 4156 4339 42 499 280 C ATOM 22 N CYS A 75 3.950 11.332 12.257 1.00 35.90 N ANISOU 22 N CYS A 75 3844 4798 5000 95 478 382 N ATOM 23 CA CYS A 75 2.731 10.576 12.494 1.00 36.34 C ANISOU 23 CA CYS A 75 3896 4871 5039 81 460 438 C ATOM 24 C CYS A 75 1.721 10.685 11.351 1.00 34.95 C ANISOU 24 C CYS A 75 3715 4674 4890 40 430 518 C ATOM 25 O CYS A 75 1.331 11.780 10.956 1.00 33.41 O ANISOU 25 O CYS A 75 3483 4454 4755 40 433 535 O ATOM 26 CB CYS A 75 2.095 11.053 13.806 1.00 40.60 C ANISOU 26 CB CYS A 75 4383 5437 5607 119 492 419 C ATOM 27 SG CYS A 75 0.846 9.949 14.491 1.00 73.17 S ANISOU 27 SG CYS A 75 8502 9605 9693 103 484 473 S ATOM 28 N GLY A 76 1.292 9.539 10.832 1.00 36.78 N ANISOU 28 N GLY A 76 3988 4911 5077 5 392 566 N ATOM 29 CA GLY A 76 0.276 9.508 9.792 1.00 35.63 C ANISOU 29 CA GLY A 76 3841 4744 4952 -36 354 644 C ATOM 30 C GLY A 76 0.861 9.562 8.395 1.00 38.92 C ANISOU 30 C GLY A 76 4307 5128 5352 -64 329 657 C ATOM 31 O GLY A 76 0.140 9.416 7.411 1.00 42.64 O ANISOU 31 O GLY A 76 4794 5577 5829 -99 289 720 O ATOM 32 N TRP A 77 2.171 9.781 8.312 1.00 27.34 N ANISOU 32 N TRP A 77 2864 3661 3865 -49 353 597 N ATOM 33 CA TRP A 77 2.869 9.825 7.031 1.00 24.21 C ANISOU 33 CA TRP A 77 2512 3245 3442 -75 341 602 C ATOM 34 C TRP A 77 3.447 8.460 6.720 1.00 27.68 C ANISOU 34 C TRP A 77 3017 3700 3802 -80 316 586 C ATOM 35 O TRP A 77 3.599 7.626 7.602 1.00 33.55 O ANISOU 35 O TRP A 77 3772 4464 4513 -58 312 556 O ATOM 36 CB TRP A 77 3.994 10.856 7.062 1.00 24.22 C ANISOU 36 CB TRP A 77 2494 3242 3467 -62 383 547 C ATOM 37 CG TRP A 77 3.534 12.283 7.026 1.00 29.66 C ANISOU 37 CG TRP A 77 3136 3900 4232 -64 394 567 C ATOM 38 CD1 TRP A 77 2.930 12.975 8.032 1.00 31.08 C ANISOU 38 CD1 TRP A 77 3260 4078 4470 -31 409 556 C ATOM 39 CD2 TRP A 77 3.664 13.200 5.930 1.00 34.90 C ANISOU 39 CD2 TRP A 77 3811 4530 4922 -98 387 598 C ATOM 40 NE1 TRP A 77 2.664 14.261 7.630 1.00 30.85 N ANISOU 40 NE1 TRP A 77 3206 4011 4505 -38 405 576 N ATOM 41 CE2 TRP A 77 3.103 14.425 6.344 1.00 33.02 C ANISOU 41 CE2 TRP A 77 3523 4262 4761 -83 391 606 C ATOM 42 CE3 TRP A 77 4.194 13.101 4.638 1.00 32.12 C ANISOU 42 CE3 TRP A 77 3507 4168 4528 -140 378 620 C ATOM 43 CZ2 TRP A 77 3.061 15.545 5.513 1.00 32.11 C ANISOU 43 CZ2 TRP A 77 3411 4101 4687 -111 378 638 C ATOM 44 CZ3 TRP A 77 4.147 14.211 3.814 1.00 27.56 C ANISOU 44 CZ3 TRP A 77 2932 3552 3987 -172 372 656 C ATOM 45 CH2 TRP A 77 3.590 15.417 4.256 1.00 29.39 C ANISOU 45 CH2 TRP A 77 3119 3747 4300 -159 369 666 C ATOM 46 N GLU A 78 3.762 8.226 5.457 1.00 31.00 N ANISOU 46 N GLU A 78 3485 4107 4186 -107 294 604 N ATOM 47 CA GLU A 78 4.334 6.951 5.057 1.00 31.95 C ANISOU 47 CA GLU A 78 3672 4240 4228 -105 264 583 C ATOM 48 C GLU A 78 5.576 7.180 4.198 1.00 30.65 C ANISOU 48 C GLU A 78 3530 4086 4028 -105 288 539 C ATOM 49 O GLU A 78 5.608 8.073 3.350 1.00 26.08 O ANISOU 49 O GLU A 78 2944 3495 3470 -133 304 566 O ATOM 50 CB GLU A 78 3.304 6.109 4.299 1.00 31.93 C ANISOU 50 CB GLU A 78 3716 4216 4200 -138 201 654 C ATOM 51 CG GLU A 78 3.807 4.735 3.900 1.00 39.60 C ANISOU 51 CG GLU A 78 4764 5192 5091 -131 158 631 C ATOM 52 CD GLU A 78 2.878 4.023 2.935 1.00 49.14 C ANISOU 52 CD GLU A 78 6026 6372 6274 -168 89 702 C ATOM 53 OE1 GLU A 78 1.776 4.547 2.671 1.00 54.53 O ANISOU 53 OE1 GLU A 78 6680 7034 7006 -200 74 770 O ATOM 54 OE2 GLU A 78 3.252 2.939 2.437 1.00 48.50 O ANISOU 54 OE2 GLU A 78 6016 6287 6125 -163 45 685 O ATOM 55 N ARG A 79 6.596 6.364 4.428 1.00 27.77 N ANISOU 55 N ARG A 79 3194 3749 3609 -74 291 472 N ATOM 56 CA ARG A 79 7.831 6.444 3.664 1.00 24.73 C ANISOU 56 CA ARG A 79 2824 3389 3184 -70 317 422 C ATOM 57 C ARG A 79 7.987 5.182 2.836 1.00 27.36 C ANISOU 57 C ARG A 79 3232 3727 3437 -66 270 417 C ATOM 58 O ARG A 79 7.872 4.076 3.357 1.00 32.25 O ANISOU 58 O ARG A 79 3887 4344 4024 -40 227 400 O ATOM 59 CB ARG A 79 9.013 6.606 4.615 1.00 23.11 C ANISOU 59 CB ARG A 79 2579 3214 2985 -29 358 332 C ATOM 60 CG ARG A 79 10.376 6.696 3.961 1.00 30.95 C ANISOU 60 CG ARG A 79 3571 4245 3943 -22 392 271 C ATOM 61 CD ARG A 79 11.451 6.680 5.043 1.00 32.22 C ANISOU 61 CD ARG A 79 3694 4435 4114 25 418 180 C ATOM 62 NE ARG A 79 12.751 7.098 4.539 1.00 35.39 N ANISOU 62 NE ARG A 79 4067 4878 4503 24 464 122 N ATOM 63 CZ ARG A 79 13.828 6.324 4.517 1.00 36.03 C ANISOU 63 CZ ARG A 79 4155 4999 4535 64 463 43 C ATOM 64 NH1 ARG A 79 14.963 6.801 4.038 1.00 36.31 N ANISOU 64 NH1 ARG A 79 4152 5080 4565 57 511 -6 N ATOM 65 NH2 ARG A 79 13.774 5.078 4.972 1.00 37.02 N ANISOU 65 NH2 ARG A 79 4327 5121 4618 110 411 12 N ATOM 66 N VAL A 80 8.239 5.351 1.542 1.00 26.92 N ANISOU 66 N VAL A 80 3205 3677 3347 -92 274 434 N ATOM 67 CA VAL A 80 8.436 4.219 0.648 1.00 25.55 C ANISOU 67 CA VAL A 80 3106 3509 3091 -83 230 424 C ATOM 68 C VAL A 80 9.853 4.235 0.073 1.00 30.91 C ANISOU 68 C VAL A 80 3785 4240 3720 -63 274 349 C ATOM 69 O VAL A 80 10.310 5.263 -0.419 1.00 32.77 O ANISOU 69 O VAL A 80 3985 4495 3972 -92 329 353 O ATOM 70 CB VAL A 80 7.434 4.259 -0.515 1.00 31.30 C ANISOU 70 CB VAL A 80 3880 4204 3807 -130 189 509 C ATOM 71 CG1 VAL A 80 7.711 3.133 -1.495 1.00 25.12 C ANISOU 71 CG1 VAL A 80 3181 3429 2936 -117 143 492 C ATOM 72 CG2 VAL A 80 5.984 4.203 0.011 1.00 31.32 C ANISOU 72 CG2 VAL A 80 3874 4162 3863 -151 143 584 C ATOM 73 N VAL A 81 10.538 3.095 0.137 1.00 33.37 N ANISOU 73 N VAL A 81 4134 4574 3970 -15 247 281 N ATOM 74 CA VAL A 81 11.886 2.957 -0.411 1.00 32.88 C ANISOU 74 CA VAL A 81 4068 4569 3854 13 285 201 C ATOM 75 C VAL A 81 11.905 1.960 -1.560 1.00 31.30 C ANISOU 75 C VAL A 81 3950 4375 3566 26 239 196 C ATOM 76 O VAL A 81 11.321 0.883 -1.463 1.00 36.38 O ANISOU 76 O VAL A 81 4657 4983 4181 46 163 207 O ATOM 77 CB VAL A 81 12.881 2.460 0.657 1.00 35.45 C ANISOU 77 CB VAL A 81 4365 4924 4181 77 291 103 C ATOM 78 CG1 VAL A 81 14.239 2.183 0.027 1.00 39.14 C ANISOU 78 CG1 VAL A 81 4825 5457 4589 112 324 14 C ATOM 79 CG2 VAL A 81 13.003 3.465 1.787 1.00 30.75 C ANISOU 79 CG2 VAL A 81 3691 4327 3666 70 338 96 C ATOM 80 N LYS A 82 12.582 2.312 -2.646 1.00 29.67 N ANISOU 80 N LYS A 82 3744 4215 3313 12 284 179 N ATOM 81 CA LYS A 82 12.707 1.409 -3.786 1.00 32.97 C ANISOU 81 CA LYS A 82 4241 4648 3639 30 247 163 C ATOM 82 C LYS A 82 14.125 1.376 -4.322 1.00 36.53 C ANISOU 82 C LYS A 82 4667 5182 4031 62 307 72 C ATOM 83 O LYS A 82 14.873 2.338 -4.162 1.00 43.15 O ANISOU 83 O LYS A 82 5428 6066 4902 42 387 50 O ATOM 84 CB LYS A 82 11.739 1.811 -4.899 1.00 39.20 C ANISOU 84 CB LYS A 82 5077 5403 4413 -32 229 260 C ATOM 85 CG LYS A 82 10.294 1.431 -4.619 1.00 33.71 C ANISOU 85 CG LYS A 82 4424 4630 3753 -53 147 341 C ATOM 86 CD LYS A 82 9.408 1.726 -5.805 1.00 33.60 C ANISOU 86 CD LYS A 82 4464 4585 3719 -106 119 428 C ATOM 87 CE LYS A 82 8.058 1.039 -5.666 1.00 28.98 C ANISOU 87 CE LYS A 82 3928 3929 3152 -119 24 496 C ATOM 88 NZ LYS A 82 8.165 -0.430 -5.874 1.00 33.12 N ANISOU 88 NZ LYS A 82 4534 4444 3606 -73 -52 454 N ATOM 89 N GLN A 83 14.494 0.263 -4.950 1.00 36.66 N ANISOU 89 N GLN A 83 4747 5220 3963 113 267 17 N ATOM 90 CA GLN A 83 15.802 0.151 -5.599 1.00 33.90 C ANISOU 90 CA GLN A 83 4375 4959 3546 149 324 -73 C ATOM 91 C GLN A 83 15.689 -0.152 -7.088 1.00 34.74 C ANISOU 91 C GLN A 83 4553 5087 3557 137 316 -56 C ATOM 92 O GLN A 83 15.006 -1.092 -7.490 1.00 40.13 O ANISOU 92 O GLN A 83 5329 5724 4196 159 231 -37 O ATOM 93 CB GLN A 83 16.671 -0.918 -4.932 1.00 36.00 C ANISOU 93 CB GLN A 83 4638 5250 3789 243 291 -189 C ATOM 94 CG GLN A 83 18.014 -1.113 -5.643 1.00 39.44 C ANISOU 94 CG GLN A 83 5045 5787 4153 289 347 -291 C ATOM 95 CD GLN A 83 18.976 -1.996 -4.871 1.00 45.67 C ANISOU 95 CD GLN A 83 5813 6604 4935 385 319 -413 C ATOM 96 OE1 GLN A 83 18.716 -3.182 -4.660 1.00 43.83 O ANISOU 96 OE1 GLN A 83 5656 6326 4672 447 225 -444 O ATOM 97 NE2 GLN A 83 20.101 -1.418 -4.444 1.00 43.61 N ANISOU 97 NE2 GLN A 83 5449 6415 4705 398 396 -483 N ATOM 98 N ARG A 84 16.372 0.645 -7.902 1.00 33.68 N ANISOU 98 N ARG A 84 4381 5026 3390 100 404 -61 N ATOM 99 CA ARG A 84 16.397 0.420 -9.341 1.00 33.44 C ANISOU 99 CA ARG A 84 4418 5030 3258 90 409 -51 C ATOM 100 C ARG A 84 17.114 -0.883 -9.670 1.00 37.08 C ANISOU 100 C ARG A 84 4922 5537 3630 184 375 -160 C ATOM 101 O ARG A 84 18.087 -1.242 -9.015 1.00 39.49 O ANISOU 101 O ARG A 84 5171 5890 3944 248 395 -260 O ATOM 102 CB ARG A 84 17.063 1.594 -10.049 1.00 34.15 C ANISOU 102 CB ARG A 84 4450 5194 3330 24 519 -34 C ATOM 103 CG ARG A 84 16.470 2.927 -9.664 1.00 33.04 C ANISOU 103 CG ARG A 84 4264 5006 3283 -63 549 64 C ATOM 104 CD ARG A 84 16.777 3.990 -10.698 1.00 37.18 C ANISOU 104 CD ARG A 84 4777 5579 3771 -144 629 113 C ATOM 105 NE ARG A 84 16.069 5.226 -10.392 1.00 41.95 N ANISOU 105 NE ARG A 84 5355 6120 4464 -225 638 213 N ATOM 106 CZ ARG A 84 16.087 6.307 -11.160 1.00 40.02 C ANISOU 106 CZ ARG A 84 5109 5888 4208 -309 689 280 C ATOM 107 NH1 ARG A 84 16.784 6.306 -12.284 1.00 40.76 N ANISOU 107 NH1 ARG A 84 5224 6063 4201 -331 746 263 N ATOM 108 NH2 ARG A 84 15.409 7.389 -10.802 1.00 38.84 N ANISOU 108 NH2 ARG A 84 4940 5671 4146 -372 684 364 N ATOM 109 N LEU A 85 16.631 -1.585 -10.689 1.00 46.81 N ANISOU 109 N LEU A 85 6256 6751 4778 197 318 -144 N ATOM 110 CA LEU A 85 17.121 -2.926 -10.987 1.00 50.23 C ANISOU 110 CA LEU A 85 6750 7207 5128 295 261 -244 C ATOM 111 C LEU A 85 17.716 -3.087 -12.386 1.00 55.31 C ANISOU 111 C LEU A 85 7431 7936 5650 311 303 -286 C ATOM 112 O LEU A 85 18.410 -4.069 -12.655 1.00 58.32 O ANISOU 112 O LEU A 85 7840 8361 5957 401 279 -393 O ATOM 113 CB LEU A 85 16.013 -3.957 -10.750 1.00 51.36 C ANISOU 113 CB LEU A 85 6997 7242 5277 319 125 -207 C ATOM 114 CG LEU A 85 15.605 -4.050 -9.276 1.00 59.50 C ANISOU 114 CG LEU A 85 7991 8204 6411 321 81 -190 C ATOM 115 CD1 LEU A 85 14.412 -4.973 -9.064 1.00 58.56 C ANISOU 115 CD1 LEU A 85 7970 7978 6301 324 -48 -135 C ATOM 116 CD2 LEU A 85 16.795 -4.496 -8.429 1.00 61.25 C ANISOU 116 CD2 LEU A 85 8153 8476 6641 404 100 -313 C ATOM 117 N SER A 86 17.453 -2.132 -13.273 1.00 52.74 N ANISOU 117 N SER A 86 7109 7631 5299 226 365 -206 N ATOM 118 CA SER A 86 17.993 -2.204 -14.629 1.00 53.45 C ANISOU 118 CA SER A 86 7236 7807 5265 231 414 -238 C ATOM 119 C SER A 86 18.428 -0.841 -15.165 1.00 55.76 C ANISOU 119 C SER A 86 7462 8173 5553 138 538 -188 C ATOM 120 O SER A 86 18.074 0.199 -14.605 1.00 55.68 O ANISOU 120 O SER A 86 7395 8124 5637 61 568 -109 O ATOM 121 CB SER A 86 16.985 -2.853 -15.578 1.00 50.71 C ANISOU 121 CB SER A 86 7028 7393 4846 231 318 -185 C ATOM 122 OG SER A 86 15.790 -2.103 -15.631 1.00 55.98 O ANISOU 122 OG SER A 86 7724 7973 5573 139 288 -49 O ATOM 123 N GLY A 87 19.202 -0.858 -16.249 1.00 52.17 N ANISOU 123 N GLY A 87 7014 7824 4984 145 608 -235 N ATOM 124 CA GLY A 87 19.702 0.359 -16.863 1.00 50.19 C ANISOU 124 CA GLY A 87 6708 7653 4711 52 728 -190 C ATOM 125 C GLY A 87 20.931 0.904 -16.161 1.00 52.43 C ANISOU 125 C GLY A 87 6847 8028 5044 52 831 -260 C ATOM 126 O GLY A 87 21.428 0.303 -15.210 1.00 52.18 O ANISOU 126 O GLY A 87 6762 8004 5062 132 808 -351 O ATOM 127 N LYS A 88 21.413 2.053 -16.627 1.00 54.07 N ANISOU 127 N LYS A 88 6998 8306 5241 -42 939 -215 N ATOM 128 CA LYS A 88 22.627 2.661 -16.090 1.00 55.98 C ANISOU 128 CA LYS A 88 7099 8645 5525 -57 1044 -276 C ATOM 129 C LYS A 88 22.532 2.966 -14.594 1.00 54.88 C ANISOU 129 C LYS A 88 6883 8435 5533 -50 1014 -277 C ATOM 130 O LYS A 88 23.547 2.985 -13.891 1.00 50.33 O ANISOU 130 O LYS A 88 6199 7926 4998 -14 1063 -365 O ATOM 131 CB LYS A 88 22.966 3.941 -16.857 1.00 62.05 C ANISOU 131 CB LYS A 88 7833 9478 6265 -181 1152 -200 C ATOM 132 CG LYS A 88 23.229 3.726 -18.339 1.00 76.21 C ANISOU 132 CG LYS A 88 9690 11363 7902 -194 1202 -204 C ATOM 133 CD LYS A 88 23.400 5.052 -19.065 1.00 86.39 C ANISOU 133 CD LYS A 88 10963 12697 9166 -334 1297 -106 C ATOM 134 CE LYS A 88 22.151 5.915 -18.937 1.00 91.15 C ANISOU 134 CE LYS A 88 11630 13156 9846 -423 1233 40 C ATOM 135 NZ LYS A 88 22.289 7.220 -19.642 1.00 94.25 N ANISOU 135 NZ LYS A 88 12017 13578 10215 -561 1313 140 N ATOM 136 N THR A 89 21.316 3.197 -14.104 1.00 49.01 N ANISOU 136 N THR A 89 6194 7560 4867 -81 933 -182 N ATOM 137 CA THR A 89 21.136 3.609 -12.711 1.00 44.46 C ANISOU 137 CA THR A 89 5550 6916 4426 -84 910 -172 C ATOM 138 C THR A 89 20.752 2.475 -11.764 1.00 39.95 C ANISOU 138 C THR A 89 5009 6278 3893 16 809 -227 C ATOM 139 O THR A 89 20.479 2.712 -10.590 1.00 44.90 O ANISOU 139 O THR A 89 5594 6841 4623 19 779 -216 O ATOM 140 CB THR A 89 20.131 4.762 -12.582 1.00 49.69 C ANISOU 140 CB THR A 89 6229 7485 5166 -185 897 -37 C ATOM 141 OG1 THR A 89 18.855 4.346 -13.085 1.00 56.44 O ANISOU 141 OG1 THR A 89 7200 8249 5994 -188 808 39 O ATOM 142 CG2 THR A 89 20.619 5.971 -13.371 1.00 52.20 C ANISOU 142 CG2 THR A 89 6511 7864 5456 -290 996 17 C ATOM 143 N ALA A 90 20.742 1.246 -12.269 1.00 41.05 N ANISOU 143 N ALA A 90 5223 6428 3945 97 753 -287 N ATOM 144 CA ALA A 90 20.520 0.081 -11.416 1.00 41.47 C ANISOU 144 CA ALA A 90 5309 6424 4025 194 654 -349 C ATOM 145 C ALA A 90 21.286 0.216 -10.103 1.00 44.35 C ANISOU 145 C ALA A 90 5567 6806 4477 230 676 -420 C ATOM 146 O ALA A 90 22.412 0.708 -10.081 1.00 47.40 O ANISOU 146 O ALA A 90 5855 7289 4864 226 767 -481 O ATOM 147 CB ALA A 90 20.940 -1.184 -12.136 1.00 39.99 C ANISOU 147 CB ALA A 90 5186 6283 3724 288 616 -444 C ATOM 148 N GLY A 91 20.672 -0.220 -9.009 1.00 43.55 N ANISOU 148 N GLY A 91 5486 6613 4448 263 593 -411 N ATOM 149 CA GLY A 91 21.323 -0.190 -7.712 1.00 33.75 C ANISOU 149 CA GLY A 91 4160 5378 3285 304 599 -479 C ATOM 150 C GLY A 91 21.054 1.078 -6.930 1.00 34.86 C ANISOU 150 C GLY A 91 4229 5484 3532 224 642 -406 C ATOM 151 O GLY A 91 21.207 1.105 -5.712 1.00 36.71 O ANISOU 151 O GLY A 91 4417 5690 3843 251 623 -436 O ATOM 152 N LYS A 92 20.663 2.137 -7.630 1.00 39.26 N ANISOU 152 N LYS A 92 4784 6042 4092 128 696 -313 N ATOM 153 CA LYS A 92 20.290 3.382 -6.970 1.00 43.77 C ANISOU 153 CA LYS A 92 5301 6568 4763 52 727 -237 C ATOM 154 C LYS A 92 18.930 3.269 -6.278 1.00 45.72 C ANISOU 154 C LYS A 92 5603 6698 5071 45 642 -159 C ATOM 155 O LYS A 92 18.108 2.413 -6.616 1.00 39.06 O ANISOU 155 O LYS A 92 4850 5804 4186 69 566 -131 O ATOM 156 CB LYS A 92 20.295 4.548 -7.963 1.00 51.49 C ANISOU 156 CB LYS A 92 6265 7577 5722 -50 802 -160 C ATOM 157 CG LYS A 92 21.687 5.107 -8.241 1.00 68.50 C ANISOU 157 CG LYS A 92 8323 9846 7857 -71 906 -223 C ATOM 158 CD LYS A 92 21.647 6.274 -9.221 1.00 76.51 C ANISOU 158 CD LYS A 92 9335 10884 8850 -183 976 -136 C ATOM 159 CE LYS A 92 22.985 6.999 -9.277 1.00 80.16 C ANISOU 159 CE LYS A 92 9686 11452 9317 -222 1081 -186 C ATOM 160 NZ LYS A 92 23.304 7.677 -7.987 1.00 82.71 N ANISOU 160 NZ LYS A 92 9921 11748 9760 -230 1088 -204 N ATOM 161 N PHE A 93 18.707 4.144 -5.305 1.00 48.04 N ANISOU 161 N PHE A 93 5840 6951 5464 11 656 -124 N ATOM 162 CA PHE A 93 17.506 4.106 -4.488 1.00 43.33 C ANISOU 162 CA PHE A 93 5275 6256 4932 7 588 -60 C ATOM 163 C PHE A 93 16.607 5.307 -4.743 1.00 46.18 C ANISOU 163 C PHE A 93 5637 6566 5345 -80 603 53 C ATOM 164 O PHE A 93 17.087 6.415 -4.991 1.00 49.53 O ANISOU 164 O PHE A 93 6007 7020 5793 -137 671 71 O ATOM 165 CB PHE A 93 17.881 4.063 -3.009 1.00 35.06 C ANISOU 165 CB PHE A 93 4168 5197 3956 52 580 -118 C ATOM 166 CG PHE A 93 18.496 2.765 -2.577 1.00 38.08 C ANISOU 166 CG PHE A 93 4568 5603 4298 145 536 -219 C ATOM 167 CD1 PHE A 93 17.698 1.694 -2.214 1.00 39.37 C ANISOU 167 CD1 PHE A 93 4809 5705 4446 187 444 -208 C ATOM 168 CD2 PHE A 93 19.871 2.616 -2.524 1.00 43.23 C ANISOU 168 CD2 PHE A 93 5159 6338 4929 190 580 -325 C ATOM 169 CE1 PHE A 93 18.256 0.502 -1.809 1.00 38.95 C ANISOU 169 CE1 PHE A 93 4781 5662 4355 272 393 -299 C ATOM 170 CE2 PHE A 93 20.435 1.425 -2.121 1.00 41.35 C ANISOU 170 CE2 PHE A 93 4939 6115 4656 282 530 -422 C ATOM 171 CZ PHE A 93 19.625 0.367 -1.762 1.00 42.85 C ANISOU 171 CZ PHE A 93 5216 6235 4830 324 434 -408 C ATOM 172 N ASP A 94 15.300 5.075 -4.677 1.00 37.93 N ANISOU 172 N ASP A 94 4651 5441 4318 -90 534 128 N ATOM 173 CA ASP A 94 14.315 6.151 -4.761 1.00 35.79 C ANISOU 173 CA ASP A 94 4379 5112 4109 -159 533 231 C ATOM 174 C ASP A 94 13.442 6.136 -3.518 1.00 31.18 C ANISOU 174 C ASP A 94 3779 4461 3606 -141 487 255 C ATOM 175 O ASP A 94 13.020 5.080 -3.053 1.00 34.85 O ANISOU 175 O ASP A 94 4281 4903 4058 -94 426 239 O ATOM 176 CB ASP A 94 13.456 6.025 -6.023 1.00 37.30 C ANISOU 176 CB ASP A 94 4653 5273 4245 -199 495 311 C ATOM 177 CG ASP A 94 14.281 6.102 -7.300 1.00 48.03 C ANISOU 177 CG ASP A 94 6033 6702 5514 -222 547 293 C ATOM 178 OD1 ASP A 94 14.588 7.227 -7.749 1.00 45.63 O ANISOU 178 OD1 ASP A 94 5699 6417 5223 -287 606 329 O ATOM 179 OD2 ASP A 94 14.622 5.036 -7.857 1.00 55.50 O ANISOU 179 OD2 ASP A 94 7029 7685 6374 -176 527 242 O ATOM 180 N VAL A 95 13.201 7.316 -2.963 1.00 28.94 N ANISOU 180 N VAL A 95 3440 4150 3405 -178 515 292 N ATOM 181 CA VAL A 95 12.422 7.446 -1.748 1.00 24.90 C ANISOU 181 CA VAL A 95 2904 3587 2971 -160 483 311 C ATOM 182 C VAL A 95 11.330 8.451 -2.005 1.00 30.97 C ANISOU 182 C VAL A 95 3674 4298 3796 -215 471 407 C ATOM 183 O VAL A 95 11.556 9.463 -2.659 1.00 34.65 O ANISOU 183 O VAL A 95 4128 4766 4272 -267 508 439 O ATOM 184 CB VAL A 95 13.267 7.977 -0.579 1.00 35.48 C ANISOU 184 CB VAL A 95 4166 4949 4368 -137 528 244 C ATOM 185 CG1 VAL A 95 12.401 8.143 0.663 1.00 36.44 C ANISOU 185 CG1 VAL A 95 4266 5020 4562 -118 498 265 C ATOM 186 CG2 VAL A 95 14.454 7.059 -0.305 1.00 34.09 C ANISOU 186 CG2 VAL A 95 3978 4831 4142 -78 539 141 C ATOM 187 N TYR A 96 10.136 8.165 -1.509 1.00 33.35 N ANISOU 187 N TYR A 96 3991 4548 4132 -206 417 454 N ATOM 188 CA TYR A 96 9.060 9.137 -1.585 1.00 31.61 C ANISOU 188 CA TYR A 96 3760 4274 3978 -246 401 536 C ATOM 189 C TYR A 96 8.152 9.009 -0.369 1.00 31.92 C ANISOU 189 C TYR A 96 3769 4280 4080 -217 371 547 C ATOM 190 O TYR A 96 8.172 7.997 0.332 1.00 31.28 O ANISOU 190 O TYR A 96 3696 4211 3978 -176 350 509 O ATOM 191 CB TYR A 96 8.299 9.034 -2.916 1.00 34.54 C ANISOU 191 CB TYR A 96 4198 4618 4309 -287 359 612 C ATOM 192 CG TYR A 96 7.406 7.819 -3.082 1.00 35.40 C ANISOU 192 CG TYR A 96 4362 4704 4382 -269 288 638 C ATOM 193 CD1 TYR A 96 7.753 6.785 -3.944 1.00 36.27 C ANISOU 193 CD1 TYR A 96 4541 4838 4401 -259 263 619 C ATOM 194 CD2 TYR A 96 6.199 7.726 -2.402 1.00 35.33 C ANISOU 194 CD2 TYR A 96 4338 4653 4432 -264 242 683 C ATOM 195 CE1 TYR A 96 6.924 5.677 -4.106 1.00 40.11 C ANISOU 195 CE1 TYR A 96 5084 5297 4858 -246 188 645 C ATOM 196 CE2 TYR A 96 5.370 6.632 -2.554 1.00 38.41 C ANISOU 196 CE2 TYR A 96 4777 5023 4795 -258 174 713 C ATOM 197 CZ TYR A 96 5.729 5.611 -3.405 1.00 45.23 C ANISOU 197 CZ TYR A 96 5715 5901 5571 -250 143 696 C ATOM 198 OH TYR A 96 4.889 4.522 -3.539 1.00 46.13 O ANISOU 198 OH TYR A 96 5881 5986 5660 -247 66 727 O ATOM 199 N PHE A 97 7.390 10.059 -0.098 1.00 32.38 N ANISOU 199 N PHE A 97 3791 4299 4214 -238 370 596 N ATOM 200 CA PHE A 97 6.534 10.090 1.078 1.00 28.90 C ANISOU 200 CA PHE A 97 3310 3835 3834 -211 353 604 C ATOM 201 C PHE A 97 5.050 10.234 0.713 1.00 32.26 C ANISOU 201 C PHE A 97 3747 4217 4295 -234 301 689 C ATOM 202 O PHE A 97 4.692 10.847 -0.294 1.00 29.84 O ANISOU 202 O PHE A 97 3463 3881 3994 -273 284 744 O ATOM 203 CB PHE A 97 6.956 11.229 2.008 1.00 25.50 C ANISOU 203 CB PHE A 97 2812 3402 3472 -198 398 568 C ATOM 204 CG PHE A 97 8.215 10.954 2.780 1.00 31.89 C ANISOU 204 CG PHE A 97 3598 4255 4264 -163 438 479 C ATOM 205 CD1 PHE A 97 8.158 10.430 4.059 1.00 36.47 C ANISOU 205 CD1 PHE A 97 4156 4846 4855 -115 435 436 C ATOM 206 CD2 PHE A 97 9.458 11.229 2.233 1.00 36.40 C ANISOU 206 CD2 PHE A 97 4167 4857 4805 -179 478 438 C ATOM 207 CE1 PHE A 97 9.310 10.182 4.776 1.00 35.88 C ANISOU 207 CE1 PHE A 97 4062 4807 4765 -80 464 352 C ATOM 208 CE2 PHE A 97 10.613 10.984 2.946 1.00 31.49 C ANISOU 208 CE2 PHE A 97 3515 4276 4172 -144 511 352 C ATOM 209 CZ PHE A 97 10.538 10.461 4.218 1.00 31.72 C ANISOU 209 CZ PHE A 97 3528 4310 4216 -93 500 308 C ATOM 210 N ILE A 98 4.189 9.657 1.536 1.00 33.43 N ANISOU 210 N ILE A 98 3879 4360 4464 -211 273 701 N ATOM 211 CA ILE A 98 2.760 9.856 1.377 1.00 29.53 C ANISOU 211 CA ILE A 98 3375 3831 4016 -229 228 775 C ATOM 212 C ILE A 98 2.205 10.527 2.627 1.00 27.00 C ANISOU 212 C ILE A 98 2979 3508 3772 -201 248 766 C ATOM 213 O ILE A 98 2.413 10.048 3.746 1.00 27.31 O ANISOU 213 O ILE A 98 2995 3576 3807 -168 269 721 O ATOM 214 CB ILE A 98 2.030 8.529 1.087 1.00 37.36 C ANISOU 214 CB ILE A 98 4412 4820 4963 -238 169 811 C ATOM 215 CG1 ILE A 98 2.715 7.799 -0.074 1.00 38.69 C ANISOU 215 CG1 ILE A 98 4660 4995 5046 -253 149 803 C ATOM 216 CG2 ILE A 98 0.553 8.786 0.763 1.00 29.36 C ANISOU 216 CG2 ILE A 98 3382 3771 4000 -263 118 892 C ATOM 217 CD1 ILE A 98 2.138 6.439 -0.381 1.00 38.65 C ANISOU 217 CD1 ILE A 98 4712 4982 4992 -259 83 830 C ATOM 218 N SER A 99 1.531 11.656 2.429 1.00 23.96 N ANISOU 218 N SER A 99 2560 3089 3454 -212 241 805 N ATOM 219 CA SER A 99 0.908 12.394 3.525 1.00 29.72 C ANISOU 219 CA SER A 99 3218 3816 4259 -180 257 796 C ATOM 220 C SER A 99 -0.328 11.665 4.026 1.00 28.34 C ANISOU 220 C SER A 99 3017 3653 4096 -173 227 832 C ATOM 221 O SER A 99 -0.809 10.740 3.380 1.00 39.91 O ANISOU 221 O SER A 99 4524 5117 5525 -200 182 876 O ATOM 222 CB SER A 99 0.503 13.788 3.064 1.00 32.58 C ANISOU 222 CB SER A 99 3558 4132 4690 -190 246 828 C ATOM 223 OG SER A 99 -0.603 13.712 2.189 1.00 34.64 O ANISOU 223 OG SER A 99 3835 4363 4965 -217 188 902 O ATOM 224 N PRO A 100 -0.847 12.078 5.189 1.00 33.38 N ANISOU 224 N PRO A 100 3588 4308 4787 -138 250 813 N ATOM 225 CA PRO A 100 -2.047 11.431 5.729 1.00 34.39 C ANISOU 225 CA PRO A 100 3680 4458 4927 -136 229 849 C ATOM 226 C PRO A 100 -3.214 11.455 4.738 1.00 39.77 C ANISOU 226 C PRO A 100 4362 5110 5638 -170 169 927 C ATOM 227 O PRO A 100 -4.024 10.529 4.734 1.00 38.43 O ANISOU 227 O PRO A 100 4193 4956 5454 -191 136 969 O ATOM 228 CB PRO A 100 -2.368 12.277 6.961 1.00 29.86 C ANISOU 228 CB PRO A 100 3029 3904 4414 -90 270 813 C ATOM 229 CG PRO A 100 -1.041 12.809 7.395 1.00 31.62 C ANISOU 229 CG PRO A 100 3263 4126 4626 -64 315 741 C ATOM 230 CD PRO A 100 -0.297 13.085 6.116 1.00 31.57 C ANISOU 230 CD PRO A 100 3313 4083 4600 -98 298 753 C ATOM 231 N GLN A 101 -3.278 12.490 3.904 1.00 43.07 N ANISOU 231 N GLN A 101 4785 5483 6096 -177 151 948 N ATOM 232 CA GLN A 101 -4.357 12.636 2.931 1.00 47.84 C ANISOU 232 CA GLN A 101 5391 6052 6732 -205 87 1020 C ATOM 233 C GLN A 101 -4.044 11.978 1.589 1.00 49.91 C ANISOU 233 C GLN A 101 5744 6290 6931 -252 43 1058 C ATOM 234 O GLN A 101 -4.842 12.059 0.656 1.00 53.83 O ANISOU 234 O GLN A 101 6257 6751 7444 -278 -18 1118 O ATOM 235 CB GLN A 101 -4.685 14.116 2.705 1.00 53.30 C ANISOU 235 CB GLN A 101 6048 6700 7502 -187 76 1028 C ATOM 236 CG GLN A 101 -5.370 14.794 3.881 1.00 60.13 C ANISOU 236 CG GLN A 101 6819 7586 8441 -136 101 1000 C ATOM 237 CD GLN A 101 -4.456 14.963 5.081 1.00 68.98 C ANISOU 237 CD GLN A 101 7919 8741 9550 -97 171 924 C ATOM 238 OE1 GLN A 101 -4.858 14.708 6.220 1.00 69.46 O ANISOU 238 OE1 GLN A 101 7922 8849 9621 -65 203 897 O ATOM 239 NE2 GLN A 101 -3.222 15.403 4.834 1.00 65.65 N ANISOU 239 NE2 GLN A 101 7542 8298 9103 -103 196 888 N ATOM 240 N GLY A 102 -2.880 11.343 1.485 1.00 41.86 N ANISOU 240 N GLY A 102 4780 5287 5835 -258 70 1019 N ATOM 241 CA GLY A 102 -2.542 10.579 0.297 1.00 29.86 C ANISOU 241 CA GLY A 102 3347 3754 4243 -294 32 1044 C ATOM 242 C GLY A 102 -1.772 11.325 -0.778 1.00 31.63 C ANISOU 242 C GLY A 102 3622 3951 4445 -315 38 1047 C ATOM 243 O GLY A 102 -1.574 10.795 -1.871 1.00 32.59 O ANISOU 243 O GLY A 102 3817 4061 4505 -345 5 1071 O ATOM 244 N LEU A 103 -1.345 12.550 -0.481 1.00 31.19 N ANISOU 244 N LEU A 103 3532 3884 4437 -303 77 1022 N ATOM 245 CA LEU A 103 -0.466 13.292 -1.388 1.00 37.03 C ANISOU 245 CA LEU A 103 4317 4602 5151 -330 92 1022 C ATOM 246 C LEU A 103 0.944 12.698 -1.412 1.00 38.63 C ANISOU 246 C LEU A 103 4555 4848 5276 -331 144 963 C ATOM 247 O LEU A 103 1.524 12.416 -0.366 1.00 40.75 O ANISOU 247 O LEU A 103 4787 5153 5543 -298 187 902 O ATOM 248 CB LEU A 103 -0.377 14.762 -0.984 1.00 45.07 C ANISOU 248 CB LEU A 103 5288 5590 6245 -319 114 1011 C ATOM 249 CG LEU A 103 -1.608 15.653 -1.146 1.00 52.80 C ANISOU 249 CG LEU A 103 6238 6517 7307 -316 61 1064 C ATOM 250 CD1 LEU A 103 -1.236 17.085 -0.788 1.00 52.01 C ANISOU 250 CD1 LEU A 103 6107 6383 7270 -304 82 1042 C ATOM 251 CD2 LEU A 103 -2.171 15.571 -2.564 1.00 48.63 C ANISOU 251 CD2 LEU A 103 5776 5947 6754 -360 -6 1138 C ATOM 252 N LYS A 104 1.491 12.540 -2.612 1.00 37.74 N ANISOU 252 N LYS A 104 4510 4733 5095 -367 137 980 N ATOM 253 CA LYS A 104 2.781 11.891 -2.817 1.00 32.95 C ANISOU 253 CA LYS A 104 3938 4174 4407 -367 180 925 C ATOM 254 C LYS A 104 3.900 12.895 -3.113 1.00 35.69 C ANISOU 254 C LYS A 104 4281 4530 4750 -390 236 900 C ATOM 255 O LYS A 104 3.761 13.749 -3.985 1.00 38.80 O ANISOU 255 O LYS A 104 4702 4889 5151 -432 222 950 O ATOM 256 CB LYS A 104 2.659 10.885 -3.963 1.00 33.63 C ANISOU 256 CB LYS A 104 4106 4264 4409 -387 137 953 C ATOM 257 CG LYS A 104 3.942 10.155 -4.317 1.00 43.75 C ANISOU 257 CG LYS A 104 5426 5598 5599 -381 176 893 C ATOM 258 CD LYS A 104 3.700 9.153 -5.437 1.00 49.10 C ANISOU 258 CD LYS A 104 6189 6273 6194 -394 124 920 C ATOM 259 CE LYS A 104 5.004 8.634 -6.027 1.00 48.79 C ANISOU 259 CE LYS A 104 6190 6288 6059 -388 165 862 C ATOM 260 NZ LYS A 104 4.761 7.716 -7.181 1.00 46.44 N ANISOU 260 NZ LYS A 104 5982 5986 5675 -397 111 885 N ATOM 261 N PHE A 105 5.009 12.790 -2.385 1.00 35.38 N ANISOU 261 N PHE A 105 4209 4536 4699 -367 294 825 N ATOM 262 CA PHE A 105 6.154 13.676 -2.608 1.00 32.06 C ANISOU 262 CA PHE A 105 3775 4130 4275 -394 349 798 C ATOM 263 C PHE A 105 7.414 12.892 -2.973 1.00 34.94 C ANISOU 263 C PHE A 105 4163 4561 4553 -392 392 739 C ATOM 264 O PHE A 105 7.827 11.993 -2.240 1.00 38.95 O ANISOU 264 O PHE A 105 4654 5106 5040 -345 404 677 O ATOM 265 CB PHE A 105 6.394 14.556 -1.384 1.00 31.02 C ANISOU 265 CB PHE A 105 3571 3989 4225 -369 380 758 C ATOM 266 CG PHE A 105 5.265 15.504 -1.094 1.00 34.22 C ANISOU 266 CG PHE A 105 3953 4332 4717 -368 342 808 C ATOM 267 CD1 PHE A 105 5.217 16.750 -1.699 1.00 34.65 C ANISOU 267 CD1 PHE A 105 4018 4340 4809 -411 332 851 C ATOM 268 CD2 PHE A 105 4.242 15.144 -0.231 1.00 34.13 C ANISOU 268 CD2 PHE A 105 3907 4311 4748 -324 314 811 C ATOM 269 CE1 PHE A 105 4.167 17.622 -1.447 1.00 39.15 C ANISOU 269 CE1 PHE A 105 4567 4849 5461 -401 289 892 C ATOM 270 CE2 PHE A 105 3.184 16.012 0.023 1.00 36.98 C ANISOU 270 CE2 PHE A 105 4239 4622 5191 -315 279 850 C ATOM 271 CZ PHE A 105 3.148 17.252 -0.585 1.00 36.17 C ANISOU 271 CZ PHE A 105 4148 4468 5128 -350 264 887 C ATOM 272 N ARG A 106 8.014 13.227 -4.114 1.00 32.64 N ANISOU 272 N ARG A 106 3909 4284 4208 -441 414 759 N ATOM 273 CA ARG A 106 9.182 12.493 -4.610 1.00 33.29 C ANISOU 273 CA ARG A 106 4011 4437 4201 -438 457 703 C ATOM 274 C ARG A 106 10.503 13.203 -4.334 1.00 34.89 C ANISOU 274 C ARG A 106 4161 4684 4414 -456 530 649 C ATOM 275 O ARG A 106 11.571 12.665 -4.617 1.00 33.93 O ANISOU 275 O ARG A 106 4035 4629 4226 -448 573 592 O ATOM 276 CB ARG A 106 9.060 12.222 -6.116 1.00 38.20 C ANISOU 276 CB ARG A 106 4712 5064 4737 -480 439 753 C ATOM 277 CG ARG A 106 7.920 11.285 -6.509 1.00 39.16 C ANISOU 277 CG ARG A 106 4894 5153 4833 -461 363 795 C ATOM 278 CD ARG A 106 8.147 10.705 -7.902 1.00 35.80 C ANISOU 278 CD ARG A 106 4550 4753 4299 -485 354 811 C ATOM 279 NE ARG A 106 8.075 11.725 -8.943 1.00 29.45 N ANISOU 279 NE ARG A 106 3781 3927 3481 -553 361 879 N ATOM 280 CZ ARG A 106 8.698 11.645 -10.116 1.00 36.18 C ANISOU 280 CZ ARG A 106 4688 4820 4237 -588 388 884 C ATOM 281 NH1 ARG A 106 9.458 10.596 -10.401 1.00 38.07 N ANISOU 281 NH1 ARG A 106 4948 5128 4388 -554 412 819 N ATOM 282 NH2 ARG A 106 8.572 12.623 -11.002 1.00 35.55 N ANISOU 282 NH2 ARG A 106 4646 4715 4147 -657 390 954 N ATOM 283 N SER A 107 10.430 14.410 -3.786 1.00 36.66 N ANISOU 283 N SER A 107 4340 4868 4720 -477 540 666 N ATOM 284 CA SER A 107 11.623 15.210 -3.553 1.00 35.48 C ANISOU 284 CA SER A 107 4140 4750 4590 -505 601 625 C ATOM 285 C SER A 107 11.500 16.027 -2.277 1.00 35.81 C ANISOU 285 C SER A 107 4120 4753 4734 -482 599 603 C ATOM 286 O SER A 107 10.397 16.381 -1.861 1.00 37.46 O ANISOU 286 O SER A 107 4331 4899 5003 -465 552 643 O ATOM 287 CB SER A 107 11.850 16.155 -4.726 1.00 32.65 C ANISOU 287 CB SER A 107 3815 4382 4209 -590 618 688 C ATOM 288 OG SER A 107 10.839 17.142 -4.760 1.00 39.50 O ANISOU 288 OG SER A 107 4700 5164 5146 -616 569 762 O ATOM 289 N LYS A 108 12.641 16.333 -1.670 1.00 35.74 N ANISOU 289 N LYS A 108 4055 4782 4743 -479 648 536 N ATOM 290 CA LYS A 108 12.686 17.168 -0.477 1.00 39.00 C ANISOU 290 CA LYS A 108 4412 5159 5248 -459 647 507 C ATOM 291 C LYS A 108 12.278 18.602 -0.802 1.00 41.30 C ANISOU 291 C LYS A 108 4711 5381 5601 -517 628 574 C ATOM 292 O LYS A 108 11.770 19.323 0.053 1.00 48.99 O ANISOU 292 O LYS A 108 5659 6300 6656 -493 602 574 O ATOM 293 CB LYS A 108 14.091 17.150 0.122 1.00 42.47 C ANISOU 293 CB LYS A 108 4792 5657 5688 -449 699 420 C ATOM 294 CG LYS A 108 14.195 17.713 1.529 1.00 50.11 C ANISOU 294 CG LYS A 108 5705 6596 6740 -408 694 371 C ATOM 295 CD LYS A 108 15.629 17.585 2.044 1.00 56.95 C ANISOU 295 CD LYS A 108 6513 7523 7601 -398 739 283 C ATOM 296 CE LYS A 108 15.691 17.550 3.569 1.00 63.15 C ANISOU 296 CE LYS A 108 7256 8294 8442 -329 726 215 C ATOM 297 NZ LYS A 108 15.125 16.290 4.143 1.00 58.63 N ANISOU 297 NZ LYS A 108 6706 7737 7836 -255 701 188 N ATOM 298 N ARG A 109 12.497 19.009 -2.046 1.00 35.82 N ANISOU 298 N ARG A 109 4058 4688 4865 -591 639 631 N ATOM 299 CA ARG A 109 12.158 20.359 -2.480 1.00 35.36 C ANISOU 299 CA ARG A 109 4020 4558 4856 -654 614 701 C ATOM 300 C ARG A 109 10.652 20.562 -2.594 1.00 41.68 C ANISOU 300 C ARG A 109 4860 5280 5695 -634 542 767 C ATOM 301 O ARG A 109 10.127 21.579 -2.144 1.00 49.55 O ANISOU 301 O ARG A 109 5847 6206 6775 -633 505 789 O ATOM 302 CB ARG A 109 12.830 20.674 -3.816 1.00 32.52 C ANISOU 302 CB ARG A 109 3701 4227 4430 -746 646 747 C ATOM 303 CG ARG A 109 12.436 22.007 -4.426 1.00 36.53 C ANISOU 303 CG ARG A 109 4249 4654 4976 -820 611 832 C ATOM 304 CD ARG A 109 13.068 22.183 -5.810 1.00 36.94 C ANISOU 304 CD ARG A 109 4349 4743 4943 -915 646 884 C ATOM 305 NE ARG A 109 14.524 22.156 -5.742 1.00 43.07 N ANISOU 305 NE ARG A 109 5072 5605 5689 -951 725 827 N ATOM 306 CZ ARG A 109 15.333 22.111 -6.799 1.00 50.17 C ANISOU 306 CZ ARG A 109 5990 6570 6503 -1025 780 848 C ATOM 307 NH1 ARG A 109 16.647 22.095 -6.620 1.00 50.21 N ANISOU 307 NH1 ARG A 109 5930 6656 6490 -1052 852 788 N ATOM 308 NH2 ARG A 109 14.837 22.076 -8.032 1.00 45.05 N ANISOU 308 NH2 ARG A 109 5424 5909 5783 -1074 762 925 N ATOM 309 N SER A 110 9.953 19.606 -3.198 1.00 34.89 N ANISOU 309 N SER A 110 4045 4434 4778 -617 518 796 N ATOM 310 CA SER A 110 8.513 19.754 -3.355 1.00 34.92 C ANISOU 310 CA SER A 110 4080 4369 4819 -600 447 859 C ATOM 311 C SER A 110 7.802 19.589 -2.013 1.00 36.47 C ANISOU 311 C SER A 110 4223 4547 5087 -522 426 820 C ATOM 312 O SER A 110 6.761 20.200 -1.782 1.00 44.60 O ANISOU 312 O SER A 110 5248 5514 6184 -504 375 856 O ATOM 313 CB SER A 110 7.943 18.796 -4.408 1.00 39.02 C ANISOU 313 CB SER A 110 4664 4904 5259 -609 420 904 C ATOM 314 OG SER A 110 7.825 17.474 -3.918 1.00 45.92 O ANISOU 314 OG SER A 110 5525 5825 6098 -550 425 857 O ATOM 315 N LEU A 111 8.376 18.781 -1.126 1.00 27.06 N ANISOU 315 N LEU A 111 2989 3413 3878 -473 464 744 N ATOM 316 CA LEU A 111 7.804 18.594 0.200 1.00 30.39 C ANISOU 316 CA LEU A 111 3362 3827 4357 -402 452 704 C ATOM 317 C LEU A 111 8.009 19.822 1.080 1.00 36.66 C ANISOU 317 C LEU A 111 4111 4582 5237 -391 456 676 C ATOM 318 O LEU A 111 7.095 20.250 1.788 1.00 42.94 O ANISOU 318 O LEU A 111 4880 5335 6098 -349 423 681 O ATOM 319 CB LEU A 111 8.369 17.344 0.876 1.00 29.14 C ANISOU 319 CB LEU A 111 3185 3737 4150 -355 483 633 C ATOM 320 CG LEU A 111 7.905 17.101 2.316 1.00 33.11 C ANISOU 320 CG LEU A 111 3641 4240 4700 -286 478 588 C ATOM 321 CD1 LEU A 111 6.379 17.192 2.440 1.00 37.79 C ANISOU 321 CD1 LEU A 111 4234 4790 5335 -266 428 643 C ATOM 322 CD2 LEU A 111 8.398 15.758 2.811 1.00 32.87 C ANISOU 322 CD2 LEU A 111 3610 4269 4609 -247 496 531 C ATOM 323 N ALA A 112 9.209 20.389 1.029 1.00 36.97 N ANISOU 323 N ALA A 112 4136 4635 5275 -428 494 646 N ATOM 324 CA ALA A 112 9.512 21.600 1.780 1.00 37.29 C ANISOU 324 CA ALA A 112 4141 4632 5397 -426 492 620 C ATOM 325 C ALA A 112 8.567 22.717 1.363 1.00 44.91 C ANISOU 325 C ALA A 112 5132 5511 6422 -448 435 689 C ATOM 326 O ALA A 112 8.065 23.469 2.197 1.00 50.48 O ANISOU 326 O ALA A 112 5810 6166 7205 -407 407 672 O ATOM 327 CB ALA A 112 10.956 22.017 1.552 1.00 34.54 C ANISOU 327 CB ALA A 112 3779 4313 5033 -482 538 590 C ATOM 328 N ASN A 113 8.324 22.820 0.063 1.00 44.33 N ANISOU 328 N ASN A 113 5115 5417 6310 -510 415 763 N ATOM 329 CA ASN A 113 7.425 23.837 -0.455 1.00 41.69 C ANISOU 329 CA ASN A 113 4816 4996 6028 -532 351 833 C ATOM 330 C ASN A 113 6.009 23.637 0.075 1.00 45.17 C ANISOU 330 C ASN A 113 5239 5408 6517 -460 302 842 C ATOM 331 O ASN A 113 5.336 24.590 0.464 1.00 49.05 O ANISOU 331 O ASN A 113 5718 5832 7087 -434 255 851 O ATOM 332 CB ASN A 113 7.431 23.827 -1.981 1.00 41.33 C ANISOU 332 CB ASN A 113 4842 4942 5918 -611 339 912 C ATOM 333 CG ASN A 113 6.475 24.846 -2.573 1.00 47.48 C ANISOU 333 CG ASN A 113 5666 5626 6748 -635 262 988 C ATOM 334 OD1 ASN A 113 6.766 26.042 -2.606 1.00 55.03 O ANISOU 334 OD1 ASN A 113 6635 6521 7755 -673 240 1005 O ATOM 335 ND2 ASN A 113 5.328 24.375 -3.046 1.00 43.87 N ANISOU 335 ND2 ASN A 113 5236 5150 6281 -612 213 1034 N ATOM 336 N TYR A 114 5.561 22.388 0.087 1.00 39.85 N ANISOU 336 N TYR A 114 4562 4786 5793 -428 311 837 N ATOM 337 CA TYR A 114 4.250 22.053 0.617 1.00 37.14 C ANISOU 337 CA TYR A 114 4192 4430 5488 -366 273 845 C ATOM 338 C TYR A 114 4.168 22.353 2.118 1.00 44.63 C ANISOU 338 C TYR A 114 5074 5384 6500 -295 288 776 C ATOM 339 O TYR A 114 3.165 22.870 2.603 1.00 46.36 O ANISOU 339 O TYR A 114 5264 5564 6785 -249 250 781 O ATOM 340 CB TYR A 114 3.943 20.584 0.340 1.00 34.89 C ANISOU 340 CB TYR A 114 3922 4204 5132 -356 281 853 C ATOM 341 CG TYR A 114 2.727 20.052 1.066 1.00 36.53 C ANISOU 341 CG TYR A 114 4091 4418 5372 -296 255 852 C ATOM 342 CD1 TYR A 114 2.864 19.295 2.223 1.00 31.48 C ANISOU 342 CD1 TYR A 114 3405 3831 4723 -245 291 791 C ATOM 343 CD2 TYR A 114 1.443 20.303 0.595 1.00 36.61 C ANISOU 343 CD2 TYR A 114 4107 4383 5420 -293 192 913 C ATOM 344 CE1 TYR A 114 1.757 18.802 2.893 1.00 31.00 C ANISOU 344 CE1 TYR A 114 3307 3784 4688 -198 273 795 C ATOM 345 CE2 TYR A 114 0.322 19.816 1.264 1.00 36.97 C ANISOU 345 CE2 TYR A 114 4106 4444 5497 -242 173 913 C ATOM 346 CZ TYR A 114 0.490 19.067 2.412 1.00 36.04 C ANISOU 346 CZ TYR A 114 3943 4385 5366 -198 217 855 C ATOM 347 OH TYR A 114 -0.606 18.577 3.079 1.00 40.54 O ANISOU 347 OH TYR A 114 4465 4976 5961 -157 203 859 O ATOM 348 N LEU A 115 5.236 22.044 2.846 1.00 44.91 N ANISOU 348 N LEU A 115 5084 5467 6513 -283 343 707 N ATOM 349 CA LEU A 115 5.259 22.242 4.292 1.00 42.16 C ANISOU 349 CA LEU A 115 4678 5129 6212 -215 360 636 C ATOM 350 C LEU A 115 5.158 23.710 4.701 1.00 45.14 C ANISOU 350 C LEU A 115 5039 5435 6675 -202 330 626 C ATOM 351 O LEU A 115 4.698 24.020 5.795 1.00 49.01 O ANISOU 351 O LEU A 115 5488 5919 7217 -136 325 582 O ATOM 352 CB LEU A 115 6.522 21.624 4.889 1.00 39.34 C ANISOU 352 CB LEU A 115 4304 4832 5811 -210 416 566 C ATOM 353 CG LEU A 115 6.391 20.294 5.635 1.00 40.37 C ANISOU 353 CG LEU A 115 4417 5028 5894 -161 441 527 C ATOM 354 CD1 LEU A 115 5.214 19.492 5.129 1.00 37.41 C ANISOU 354 CD1 LEU A 115 4061 4660 5494 -158 411 585 C ATOM 355 CD2 LEU A 115 7.681 19.490 5.503 1.00 39.94 C ANISOU 355 CD2 LEU A 115 4374 5031 5772 -180 483 483 C ATOM 356 N LEU A 116 5.599 24.608 3.827 1.00 43.78 N ANISOU 356 N LEU A 116 4906 5211 6517 -267 309 666 N ATOM 357 CA LEU A 116 5.589 26.036 4.127 1.00 44.07 C ANISOU 357 CA LEU A 116 4940 5170 6635 -262 271 659 C ATOM 358 C LEU A 116 4.244 26.479 4.683 1.00 50.12 C ANISOU 358 C LEU A 116 5679 5894 7469 -189 221 660 C ATOM 359 O LEU A 116 4.176 27.167 5.704 1.00 50.51 O ANISOU 359 O LEU A 116 5694 5918 7579 -132 211 605 O ATOM 360 CB LEU A 116 5.913 26.847 2.870 1.00 41.07 C ANISOU 360 CB LEU A 116 4620 4732 6255 -351 239 728 C ATOM 361 CG LEU A 116 7.293 27.504 2.767 1.00 44.74 C ANISOU 361 CG LEU A 116 5094 5188 6719 -417 266 710 C ATOM 362 CD1 LEU A 116 8.361 26.718 3.516 1.00 40.05 C ANISOU 362 CD1 LEU A 116 4455 4677 6084 -401 337 634 C ATOM 363 CD2 LEU A 116 7.676 27.690 1.307 1.00 44.49 C ANISOU 363 CD2 LEU A 116 5125 5142 6638 -519 261 789 C ATOM 364 N LYS A 117 3.176 26.075 4.004 1.00 48.18 N ANISOU 364 N LYS A 117 5449 5644 7214 -188 188 719 N ATOM 365 CA LYS A 117 1.836 26.516 4.353 1.00 45.73 C ANISOU 365 CA LYS A 117 5109 5296 6970 -124 135 726 C ATOM 366 C LYS A 117 0.954 25.385 4.894 1.00 46.88 C ANISOU 366 C LYS A 117 5207 5512 7093 -70 157 715 C ATOM 367 O LYS A 117 -0.106 25.637 5.464 1.00 47.63 O ANISOU 367 O LYS A 117 5257 5600 7241 -5 131 704 O ATOM 368 CB LYS A 117 1.173 27.161 3.131 1.00 50.77 C ANISOU 368 CB LYS A 117 5799 5860 7633 -165 62 808 C ATOM 369 CG LYS A 117 0.884 28.652 3.275 1.00 57.80 C ANISOU 369 CG LYS A 117 6696 6652 8612 -142 -4 804 C ATOM 370 CD LYS A 117 2.159 29.471 3.392 1.00 61.99 C ANISOU 370 CD LYS A 117 7255 7148 9152 -188 9 780 C ATOM 371 CE LYS A 117 1.857 30.939 3.683 1.00 66.99 C ANISOU 371 CE LYS A 117 7896 7678 9878 -157 -65 768 C ATOM 372 NZ LYS A 117 0.973 31.558 2.652 1.00 71.64 N ANISOU 372 NZ LYS A 117 8536 8186 10500 -177 -152 843 N ATOM 373 N ASN A 118 1.396 24.143 4.721 1.00 43.85 N ANISOU 373 N ASN A 118 4833 5197 6630 -98 204 718 N ATOM 374 CA ASN A 118 0.560 22.989 5.037 1.00 37.48 C ANISOU 374 CA ASN A 118 3995 4450 5793 -66 215 724 C ATOM 375 C ASN A 118 1.096 22.072 6.134 1.00 40.36 C ANISOU 375 C ASN A 118 4330 4891 6116 -33 277 659 C ATOM 376 O ASN A 118 0.505 21.030 6.412 1.00 43.67 O ANISOU 376 O ASN A 118 4729 5360 6501 -16 288 666 O ATOM 377 CB ASN A 118 0.311 22.166 3.772 1.00 38.73 C ANISOU 377 CB ASN A 118 4205 4617 5895 -124 195 795 C ATOM 378 CG ASN A 118 -0.341 22.978 2.670 1.00 51.32 C ANISOU 378 CG ASN A 118 5836 6137 7526 -155 126 864 C ATOM 379 OD1 ASN A 118 -1.556 23.185 2.671 1.00 58.56 O ANISOU 379 OD1 ASN A 118 6724 7031 8493 -122 78 891 O ATOM 380 ND2 ASN A 118 0.463 23.444 1.722 1.00 50.12 N ANISOU 380 ND2 ASN A 118 5746 5950 7349 -220 119 894 N ATOM 381 N GLY A 119 2.212 22.450 6.752 1.00 38.51 N ANISOU 381 N GLY A 119 4092 4659 5881 -27 312 598 N ATOM 382 CA GLY A 119 2.842 21.612 7.759 1.00 34.80 C ANISOU 382 CA GLY A 119 3601 4255 5368 2 364 535 C ATOM 383 C GLY A 119 2.170 21.690 9.121 1.00 38.04 C ANISOU 383 C GLY A 119 3955 4688 5811 80 376 487 C ATOM 384 O GLY A 119 2.348 20.812 9.963 1.00 40.14 O ANISOU 384 O GLY A 119 4205 5011 6033 106 412 449 O ATOM 385 N GLU A 120 1.399 22.751 9.333 1.00 36.68 N ANISOU 385 N GLU A 120 3755 4469 5712 117 343 488 N ATOM 386 CA GLU A 120 0.650 22.938 10.570 1.00 41.42 C ANISOU 386 CA GLU A 120 4298 5095 6346 195 354 443 C ATOM 387 C GLU A 120 -0.494 21.948 10.716 1.00 43.84 C ANISOU 387 C GLU A 120 4572 5458 6627 210 362 476 C ATOM 388 O GLU A 120 -1.201 21.650 9.755 1.00 50.98 O ANISOU 388 O GLU A 120 5487 6352 7532 175 329 544 O ATOM 389 CB GLU A 120 0.057 24.340 10.613 1.00 48.06 C ANISOU 389 CB GLU A 120 5119 5869 7273 235 309 436 C ATOM 390 CG GLU A 120 0.968 25.401 11.162 1.00 49.29 C ANISOU 390 CG GLU A 120 5283 5977 7466 254 306 374 C ATOM 391 CD GLU A 120 0.276 26.738 11.228 1.00 52.56 C ANISOU 391 CD GLU A 120 5683 6322 7968 301 250 366 C ATOM 392 OE1 GLU A 120 0.473 27.462 12.227 1.00 56.27 O ANISOU 392 OE1 GLU A 120 6132 6776 8474 362 251 296 O ATOM 393 OE2 GLU A 120 -0.475 27.057 10.279 1.00 52.88 O ANISOU 393 OE2 GLU A 120 5734 6319 8040 280 200 429 O ATOM 394 N THR A 121 -0.684 21.459 11.934 1.00 39.69 N ANISOU 394 N THR A 121 4008 4993 6080 259 402 429 N ATOM 395 CA THR A 121 -1.813 20.601 12.255 1.00 39.21 C ANISOU 395 CA THR A 121 3907 4992 6000 272 413 458 C ATOM 396 C THR A 121 -2.427 21.086 13.555 1.00 36.87 C ANISOU 396 C THR A 121 3546 4728 5734 351 438 402 C ATOM 397 O THR A 121 -1.707 21.431 14.487 1.00 39.85 O ANISOU 397 O THR A 121 3924 5110 6105 390 466 333 O ATOM 398 CB THR A 121 -1.379 19.130 12.382 1.00 45.18 C ANISOU 398 CB THR A 121 4692 5804 6669 236 443 467 C ATOM 399 OG1 THR A 121 -1.295 18.553 11.074 1.00 49.07 O ANISOU 399 OG1 THR A 121 5232 6277 7134 169 413 532 O ATOM 400 CG2 THR A 121 -2.380 18.334 13.208 1.00 47.19 C ANISOU 400 CG2 THR A 121 4899 6129 6901 259 467 476 C ATOM 401 N PHE A 122 -3.755 21.128 13.609 1.00 36.81 N ANISOU 401 N PHE A 122 3480 4744 5760 377 427 430 N ATOM 402 CA PHE A 122 -4.457 21.650 14.777 1.00 31.58 C ANISOU 402 CA PHE A 122 2749 4121 5129 457 452 377 C ATOM 403 C PHE A 122 -5.388 20.620 15.395 1.00 35.39 C ANISOU 403 C PHE A 122 3179 4695 5571 460 491 398 C ATOM 404 O PHE A 122 -5.767 19.645 14.750 1.00 43.20 O ANISOU 404 O PHE A 122 4178 5706 6530 400 480 465 O ATOM 405 CB PHE A 122 -5.261 22.885 14.401 1.00 32.22 C ANISOU 405 CB PHE A 122 2792 4149 5301 501 403 378 C ATOM 406 CG PHE A 122 -4.460 23.941 13.695 1.00 37.76 C ANISOU 406 CG PHE A 122 3549 4752 6047 488 354 371 C ATOM 407 CD1 PHE A 122 -3.795 24.923 14.412 1.00 38.32 C ANISOU 407 CD1 PHE A 122 3629 4787 6146 539 356 297 C ATOM 408 CD2 PHE A 122 -4.387 23.963 12.312 1.00 33.23 C ANISOU 408 CD2 PHE A 122 3022 4120 5483 421 304 441 C ATOM 409 CE1 PHE A 122 -3.067 25.901 13.764 1.00 34.95 C ANISOU 409 CE1 PHE A 122 3253 4266 5760 517 308 296 C ATOM 410 CE2 PHE A 122 -3.664 24.941 11.661 1.00 32.83 C ANISOU 410 CE2 PHE A 122 3024 3981 5468 400 262 442 C ATOM 411 CZ PHE A 122 -3.005 25.911 12.387 1.00 33.21 C ANISOU 411 CZ PHE A 122 3078 3992 5548 445 263 371 C ATOM 412 N LEU A 123 -5.757 20.850 16.650 1.00 30.26 N ANISOU 412 N LEU A 123 2477 4102 4920 527 534 340 N ATOM 413 CA LEU A 123 -6.646 19.950 17.369 1.00 29.40 C ANISOU 413 CA LEU A 123 2312 4089 4769 528 579 357 C ATOM 414 C LEU A 123 -7.721 20.728 18.117 1.00 35.00 C ANISOU 414 C LEU A 123 2928 4841 5528 609 597 318 C ATOM 415 O LEU A 123 -7.456 21.794 18.668 1.00 36.44 O ANISOU 415 O LEU A 123 3103 4997 5747 682 597 246 O ATOM 416 CB LEU A 123 -5.853 19.079 18.345 1.00 30.21 C ANISOU 416 CB LEU A 123 2453 4241 4783 519 630 324 C ATOM 417 CG LEU A 123 -4.850 18.091 17.737 1.00 33.60 C ANISOU 417 CG LEU A 123 2968 4646 5154 444 617 358 C ATOM 418 CD1 LEU A 123 -4.010 17.427 18.820 1.00 22.03 C ANISOU 418 CD1 LEU A 123 1540 3221 3610 452 659 310 C ATOM 419 CD2 LEU A 123 -5.552 17.035 16.888 1.00 31.02 C ANISOU 419 CD2 LEU A 123 2641 4338 4806 373 594 447 C ATOM 420 N LYS A 124 -8.939 20.191 18.114 1.00 39.03 N ANISOU 420 N LYS A 124 3368 5420 6042 597 609 364 N ATOM 421 CA LYS A 124 -10.056 20.769 18.854 1.00 39.17 C ANISOU 421 CA LYS A 124 3284 5501 6100 673 636 327 C ATOM 422 C LYS A 124 -10.638 19.721 19.786 1.00 40.84 C ANISOU 422 C LYS A 124 3447 5830 6240 655 706 342 C ATOM 423 O LYS A 124 -10.475 18.526 19.558 1.00 45.52 O ANISOU 423 O LYS A 124 4078 6445 6773 573 712 402 O ATOM 424 CB LYS A 124 -11.150 21.245 17.902 1.00 43.27 C ANISOU 424 CB LYS A 124 3742 5995 6704 678 580 372 C ATOM 425 CG LYS A 124 -10.731 22.302 16.910 1.00 45.50 C ANISOU 425 CG LYS A 124 4072 6158 7057 691 503 369 C ATOM 426 CD LYS A 124 -11.936 22.762 16.104 1.00 48.45 C ANISOU 426 CD LYS A 124 4380 6514 7514 706 444 407 C ATOM 427 CE LYS A 124 -11.557 23.773 15.039 1.00 55.52 C ANISOU 427 CE LYS A 124 5334 7285 8476 709 360 416 C ATOM 428 NZ LYS A 124 -12.758 24.439 14.456 1.00 60.67 N ANISOU 428 NZ LYS A 124 5918 7916 9218 749 297 434 N ATOM 429 N PRO A 125 -11.316 20.165 20.848 1.00 42.49 N ANISOU 429 N PRO A 125 3574 6116 6454 730 757 286 N ATOM 430 CA PRO A 125 -11.968 19.237 21.776 1.00 49.87 C ANISOU 430 CA PRO A 125 4455 7174 7320 711 829 302 C ATOM 431 C PRO A 125 -12.888 18.252 21.054 1.00 50.66 C ANISOU 431 C PRO A 125 4513 7313 7422 625 814 402 C ATOM 432 O PRO A 125 -12.957 17.085 21.431 1.00 56.84 O ANISOU 432 O PRO A 125 5309 8158 8129 557 850 447 O ATOM 433 CB PRO A 125 -12.791 20.170 22.668 1.00 48.80 C ANISOU 433 CB PRO A 125 4218 7105 7220 816 870 229 C ATOM 434 CG PRO A 125 -12.014 21.445 22.664 1.00 44.76 C ANISOU 434 CG PRO A 125 3750 6499 6756 895 831 149 C ATOM 435 CD PRO A 125 -11.458 21.568 21.276 1.00 41.97 C ANISOU 435 CD PRO A 125 3469 6028 6452 839 749 200 C ATOM 436 N GLU A 126 -13.576 18.719 20.020 1.00 45.63 N ANISOU 436 N GLU A 126 3834 6633 6871 625 754 437 N ATOM 437 CA GLU A 126 -14.517 17.880 19.286 1.00 47.81 C ANISOU 437 CA GLU A 126 4066 6941 7161 548 729 529 C ATOM 438 C GLU A 126 -13.829 16.700 18.603 1.00 45.51 C ANISOU 438 C GLU A 126 3876 6606 6810 442 699 601 C ATOM 439 O GLU A 126 -14.485 15.746 18.185 1.00 49.79 O ANISOU 439 O GLU A 126 4397 7182 7339 366 685 679 O ATOM 440 CB GLU A 126 -15.267 18.713 18.246 1.00 55.66 C ANISOU 440 CB GLU A 126 5007 7880 8262 576 657 546 C ATOM 441 CG GLU A 126 -14.381 19.230 17.124 1.00 66.29 C ANISOU 441 CG GLU A 126 6455 9091 9641 564 579 554 C ATOM 442 CD GLU A 126 -15.111 20.166 16.182 1.00 75.86 C ANISOU 442 CD GLU A 126 7624 10244 10958 600 503 565 C ATOM 443 OE1 GLU A 126 -14.877 20.081 14.956 1.00 75.97 O ANISOU 443 OE1 GLU A 126 7701 10172 10992 547 431 621 O ATOM 444 OE2 GLU A 126 -15.910 20.995 16.670 1.00 81.68 O ANISOU 444 OE2 GLU A 126 8263 11017 11753 686 513 514 O ATOM 445 N ASP A 127 -12.508 16.777 18.476 1.00 38.00 N ANISOU 445 N ASP A 127 3033 5580 5824 439 686 573 N ATOM 446 CA ASP A 127 -11.726 15.696 17.879 1.00 38.51 C ANISOU 446 CA ASP A 127 3199 5604 5828 353 659 626 C ATOM 447 C ASP A 127 -11.498 14.544 18.858 1.00 35.46 C ANISOU 447 C ASP A 127 2838 5292 5345 313 713 634 C ATOM 448 O ASP A 127 -10.983 13.497 18.479 1.00 37.72 O ANISOU 448 O ASP A 127 3202 5555 5574 241 690 679 O ATOM 449 CB ASP A 127 -10.376 16.214 17.375 1.00 39.60 C ANISOU 449 CB ASP A 127 3435 5643 5967 365 626 589 C ATOM 450 CG ASP A 127 -10.516 17.286 16.310 1.00 48.75 C ANISOU 450 CG ASP A 127 4589 6719 7214 389 564 592 C ATOM 451 OD1 ASP A 127 -11.615 17.410 15.728 1.00 59.24 O ANISOU 451 OD1 ASP A 127 5854 8056 8599 382 531 637 O ATOM 452 OD2 ASP A 127 -9.522 18.000 16.047 1.00 49.71 O ANISOU 452 OD2 ASP A 127 4772 6767 7349 411 545 552 O ATOM 453 N PHE A 128 -11.890 14.743 20.114 1.00 36.14 N ANISOU 453 N PHE A 128 2861 5463 5406 361 782 589 N ATOM 454 CA PHE A 128 -11.726 13.727 21.149 1.00 37.30 C ANISOU 454 CA PHE A 128 3033 5683 5457 325 837 595 C ATOM 455 C PHE A 128 -13.066 13.275 21.729 1.00 42.51 C ANISOU 455 C PHE A 128 3588 6458 6106 301 884 636 C ATOM 456 O PHE A 128 -13.871 14.095 22.169 1.00 42.47 O ANISOU 456 O PHE A 128 3479 6510 6147 366 920 599 O ATOM 457 CB PHE A 128 -10.827 14.248 22.274 1.00 36.29 C ANISOU 457 CB PHE A 128 2941 5562 5286 396 884 503 C ATOM 458 CG PHE A 128 -9.415 14.543 21.839 1.00 33.73 C ANISOU 458 CG PHE A 128 2719 5136 4961 408 844 464 C ATOM 459 CD1 PHE A 128 -8.409 13.617 22.034 1.00 34.86 C ANISOU 459 CD1 PHE A 128 2960 5261 5025 365 838 468 C ATOM 460 CD2 PHE A 128 -9.099 15.746 21.233 1.00 32.53 C ANISOU 460 CD2 PHE A 128 2564 4909 4887 462 808 423 C ATOM 461 CE1 PHE A 128 -7.110 13.883 21.631 1.00 33.92 C ANISOU 461 CE1 PHE A 128 2924 5058 4908 376 804 429 C ATOM 462 CE2 PHE A 128 -7.805 16.017 20.834 1.00 32.38 C ANISOU 462 CE2 PHE A 128 2632 4804 4866 465 775 391 C ATOM 463 CZ PHE A 128 -6.809 15.085 21.034 1.00 29.96 C ANISOU 463 CZ PHE A 128 2412 4488 4483 423 776 392 C ATOM 464 N ASN A 129 -13.288 11.965 21.745 1.00 41.55 N ANISOU 464 N ASN A 129 3492 6371 5922 208 882 711 N ATOM 465 CA ASN A 129 -14.544 11.411 22.228 1.00 45.80 C ANISOU 465 CA ASN A 129 3934 7020 6447 164 925 763 C ATOM 466 C ASN A 129 -14.448 10.828 23.632 1.00 41.14 C ANISOU 466 C ASN A 129 3354 6521 5756 152 1002 749 C ATOM 467 O ASN A 129 -13.889 9.747 23.822 1.00 43.35 O ANISOU 467 O ASN A 129 3727 6788 5956 83 990 787 O ATOM 468 CB ASN A 129 -15.039 10.330 21.268 1.00 59.11 C ANISOU 468 CB ASN A 129 5635 8686 8138 55 864 868 C ATOM 469 CG ASN A 129 -16.487 9.957 21.511 1.00 66.65 C ANISOU 469 CG ASN A 129 6467 9748 9110 9 894 927 C ATOM 470 OD1 ASN A 129 -17.092 9.238 20.718 1.00 71.30 O ANISOU 470 OD1 ASN A 129 7044 10326 9720 -73 842 1010 O ATOM 471 ND2 ASN A 129 -17.055 10.457 22.604 1.00 66.25 N ANISOU 471 ND2 ASN A 129 6320 9803 9050 62 979 882 N ATOM 472 N PHE A 130 -15.019 11.531 24.605 1.00 36.54 N ANISOU 472 N PHE A 130 2679 6031 5176 221 1077 695 N ATOM 473 CA PHE A 130 -14.999 11.086 25.998 1.00 37.41 C ANISOU 473 CA PHE A 130 2792 6236 5184 217 1158 677 C ATOM 474 C PHE A 130 -16.224 10.282 26.407 1.00 44.42 C ANISOU 474 C PHE A 130 3591 7247 6040 138 1206 753 C ATOM 475 O PHE A 130 -16.442 10.047 27.596 1.00 51.41 O ANISOU 475 O PHE A 130 4454 8233 6846 138 1285 739 O ATOM 476 CB PHE A 130 -14.870 12.281 26.941 1.00 38.62 C ANISOU 476 CB PHE A 130 2902 6429 5342 339 1220 567 C ATOM 477 CG PHE A 130 -13.465 12.797 27.080 1.00 41.43 C ANISOU 477 CG PHE A 130 3368 6690 5683 401 1194 490 C ATOM 478 CD1 PHE A 130 -12.986 13.776 26.227 1.00 35.23 C ANISOU 478 CD1 PHE A 130 2597 5801 4986 460 1136 447 C ATOM 479 CD2 PHE A 130 -12.629 12.306 28.072 1.00 38.82 C ANISOU 479 CD2 PHE A 130 3127 6373 5250 398 1225 462 C ATOM 480 CE1 PHE A 130 -11.702 14.254 26.359 1.00 37.71 C ANISOU 480 CE1 PHE A 130 3006 6032 5291 509 1113 379 C ATOM 481 CE2 PHE A 130 -11.344 12.779 28.206 1.00 39.99 C ANISOU 481 CE2 PHE A 130 3369 6435 5389 453 1199 389 C ATOM 482 CZ PHE A 130 -10.879 13.754 27.349 1.00 39.27 C ANISOU 482 CZ PHE A 130 3284 6247 5390 507 1144 348 C ATOM 483 N THR A 131 -17.034 9.860 25.445 1.00 39.81 N ANISOU 483 N THR A 131 2954 6657 5514 68 1159 834 N ATOM 484 CA THR A 131 -18.253 9.151 25.810 1.00 44.40 C ANISOU 484 CA THR A 131 3437 7358 6074 -11 1203 908 C ATOM 485 C THR A 131 -18.294 7.713 25.315 1.00 41.15 C ANISOU 485 C THR A 131 3095 6918 5620 -149 1148 1018 C ATOM 486 O THR A 131 -17.707 7.374 24.295 1.00 37.08 O ANISOU 486 O THR A 131 2671 6288 5129 -180 1059 1047 O ATOM 487 CB THR A 131 -19.546 9.912 25.375 1.00 58.90 C ANISOU 487 CB THR A 131 5106 9255 8017 26 1212 907 C ATOM 488 OG1 THR A 131 -19.618 9.993 23.945 1.00 55.53 O ANISOU 488 OG1 THR A 131 4692 8724 7682 6 1112 946 O ATOM 489 CG2 THR A 131 -19.561 11.314 25.961 1.00 58.30 C ANISOU 489 CG2 THR A 131 4960 9211 7978 169 1265 793 C ATOM 490 N VAL A 132 -18.995 6.877 26.066 1.00 48.74 N ANISOU 490 N VAL A 132 4015 7988 6516 -232 1201 1079 N ATOM 491 CA VAL A 132 -19.255 5.505 25.676 1.00 49.82 C ANISOU 491 CA VAL A 132 4201 8112 6617 -371 1149 1192 C ATOM 492 C VAL A 132 -20.711 5.406 25.241 1.00 55.58 C ANISOU 492 C VAL A 132 4779 8921 7418 -429 1151 1261 C ATOM 493 O VAL A 132 -21.604 5.830 25.972 1.00 56.25 O ANISOU 493 O VAL A 132 4729 9137 7508 -406 1239 1244 O ATOM 494 CB VAL A 132 -19.013 4.550 26.859 1.00 45.52 C ANISOU 494 CB VAL A 132 3723 7630 5940 -441 1200 1223 C ATOM 495 CG1 VAL A 132 -19.489 3.145 26.527 1.00 43.37 C ANISOU 495 CG1 VAL A 132 3486 7358 5636 -592 1148 1347 C ATOM 496 CG2 VAL A 132 -17.537 4.551 27.254 1.00 37.68 C ANISOU 496 CG2 VAL A 132 2886 6552 4879 -388 1185 1158 C ATOM 497 N LEU A 133 -20.947 4.866 24.047 1.00 59.94 N ANISOU 497 N LEU A 133 5352 9396 8025 -499 1054 1333 N ATOM 498 CA LEU A 133 -22.305 4.610 23.564 1.00 60.96 C ANISOU 498 CA LEU A 133 5349 9590 8222 -570 1040 1409 C ATOM 499 C LEU A 133 -23.002 3.592 24.467 1.00 67.00 C ANISOU 499 C LEU A 133 6074 10476 8909 -687 1098 1488 C ATOM 500 O LEU A 133 -22.344 2.904 25.242 1.00 59.43 O ANISOU 500 O LEU A 133 5222 9518 7841 -728 1121 1499 O ATOM 501 CB LEU A 133 -22.264 4.096 22.124 1.00 61.70 C ANISOU 501 CB LEU A 133 5506 9563 8374 -630 913 1472 C ATOM 502 CG LEU A 133 -21.570 5.000 21.102 1.00 69.50 C ANISOU 502 CG LEU A 133 6546 10427 9434 -533 847 1409 C ATOM 503 CD1 LEU A 133 -21.307 4.255 19.800 1.00 70.79 C ANISOU 503 CD1 LEU A 133 6810 10469 9619 -604 725 1475 C ATOM 504 CD2 LEU A 133 -22.383 6.263 20.855 1.00 71.74 C ANISOU 504 CD2 LEU A 133 6678 10754 9826 -442 870 1359 C ATOM 505 N PRO A 134 -24.339 3.491 24.368 1.00 87.34 N ANISOU 505 N PRO A 134 8494 13153 11539 -744 1118 1545 N ATOM 506 CA PRO A 134 -25.147 2.594 25.201 1.00 96.25 C ANISOU 506 CA PRO A 134 9559 14411 12601 -864 1179 1627 C ATOM 507 C PRO A 134 -24.355 1.436 25.816 1.00100.17 C ANISOU 507 C PRO A 134 10219 14874 12967 -955 1170 1676 C ATOM 508 O PRO A 134 -23.885 1.555 26.950 1.00 99.57 O ANISOU 508 O PRO A 134 10179 14854 12798 -920 1254 1630 O ATOM 509 CB PRO A 134 -26.177 2.055 24.205 1.00 95.45 C ANISOU 509 CB PRO A 134 9377 14305 12584 -964 1102 1723 C ATOM 510 CG PRO A 134 -26.266 3.134 23.109 1.00 93.59 C ANISOU 510 CG PRO A 134 9089 13995 12477 -855 1042 1663 C ATOM 511 CD PRO A 134 -25.179 4.155 23.359 1.00 91.46 C ANISOU 511 CD PRO A 134 8893 13664 12193 -709 1071 1544 C TER 512 PRO A 134 ATOM 513 O5' DG B 1 35.835 25.276 -20.676 1.00 43.36 O ANISOU 513 O5' DG B 1 6217 3467 6789 -1716 1577 39 O ATOM 514 C5' DG B 1 35.386 24.005 -20.223 1.00 42.91 C ANISOU 514 C5' DG B 1 5997 3446 6859 -1672 1576 104 C ATOM 515 C4' DG B 1 36.568 23.121 -19.867 1.00 48.08 C ANISOU 515 C4' DG B 1 6445 4046 7778 -1710 1656 170 C ATOM 516 O4' DG B 1 37.354 23.752 -18.826 1.00 48.04 O ANISOU 516 O4' DG B 1 6362 4105 7786 -1715 1582 247 O ATOM 517 C3' DG B 1 36.172 21.761 -19.324 1.00 44.97 C ANISOU 517 C3' DG B 1 5860 3676 7551 -1670 1643 262 C ATOM 518 O3' DG B 1 36.160 20.834 -20.392 1.00 47.66 O ANISOU 518 O3' DG B 1 6194 3895 8020 -1703 1782 185 O ATOM 519 C2' DG B 1 37.263 21.426 -18.316 1.00 40.04 C ANISOU 519 C2' DG B 1 5023 3066 7126 -1686 1623 387 C ATOM 520 C1' DG B 1 37.728 22.798 -17.852 1.00 41.58 C ANISOU 520 C1' DG B 1 5307 3329 7163 -1701 1553 379 C ATOM 521 N9 DG B 1 37.231 23.246 -16.550 1.00 42.59 N ANISOU 521 N9 DG B 1 5385 3631 7167 -1657 1393 466 N ATOM 522 C8 DG B 1 36.456 24.350 -16.298 1.00 40.56 C ANISOU 522 C8 DG B 1 5277 3471 6664 -1621 1294 409 C ATOM 523 N7 DG B 1 36.182 24.517 -15.033 1.00 40.66 N ANISOU 523 N7 DG B 1 5187 3648 6614 -1597 1169 490 N ATOM 524 C5 DG B 1 36.823 23.461 -14.404 1.00 39.68 C ANISOU 524 C5 DG B 1 4836 3540 6700 -1625 1177 630 C ATOM 525 C6 DG B 1 36.890 23.122 -13.036 1.00 42.47 C ANISOU 525 C6 DG B 1 4994 4059 7083 -1634 1067 777 C ATOM 526 O6 DG B 1 36.380 23.700 -12.071 1.00 44.85 O ANISOU 526 O6 DG B 1 5283 4542 7216 -1624 949 794 O ATOM 527 N1 DG B 1 37.648 21.977 -12.829 1.00 46.69 N ANISOU 527 N1 DG B 1 5321 4537 7881 -1668 1105 913 N ATOM 528 C2 DG B 1 38.268 21.255 -13.816 1.00 42.01 C ANISOU 528 C2 DG B 1 4709 3747 7508 -1684 1243 886 C ATOM 529 N2 DG B 1 38.949 20.175 -13.418 1.00 43.48 N ANISOU 529 N2 DG B 1 4666 3890 7965 -1710 1255 1030 N ATOM 530 N3 DG B 1 38.217 21.559 -15.101 1.00 39.55 N ANISOU 530 N3 DG B 1 4577 3292 7158 -1681 1358 728 N ATOM 531 C4 DG B 1 37.476 22.671 -15.322 1.00 42.35 C ANISOU 531 C4 DG B 1 5141 3706 7245 -1654 1312 618 C ATOM 532 P DT B 2 35.206 19.545 -20.329 1.00 56.03 P ANISOU 532 P DT B 2 7153 4961 9176 -1660 1775 224 P ATOM 533 OP1 DT B 2 35.297 18.850 -21.630 1.00 63.14 O ANISOU 533 OP1 DT B 2 8086 5727 10177 -1714 1939 97 O ATOM 534 OP2 DT B 2 33.896 19.972 -19.787 1.00 49.32 O ANISOU 534 OP2 DT B 2 6385 4257 8099 -1590 1629 259 O ATOM 535 O5' DT B 2 35.900 18.621 -19.230 1.00 56.20 O ANISOU 535 O5' DT B 2 6903 4982 9469 -1647 1742 383 O ATOM 536 C5' DT B 2 37.181 18.075 -19.496 1.00 49.06 C ANISOU 536 C5' DT B 2 5862 3942 8837 -1699 1862 379 C ATOM 537 C4' DT B 2 37.620 17.194 -18.344 1.00 46.76 C ANISOU 537 C4' DT B 2 5307 3667 8795 -1680 1792 565 C ATOM 538 O4' DT B 2 37.586 17.967 -17.119 1.00 49.18 O ANISOU 538 O4' DT B 2 5594 4144 8950 -1660 1633 689 O ATOM 539 C3' DT B 2 36.741 15.980 -18.084 1.00 48.85 C ANISOU 539 C3' DT B 2 5450 3932 9179 -1641 1752 643 C ATOM 540 O3' DT B 2 37.563 14.910 -17.652 1.00 51.97 O ANISOU 540 O3' DT B 2 5590 4229 9929 -1654 1776 763 O ATOM 541 C2' DT B 2 35.829 16.466 -16.963 1.00 47.48 C ANISOU 541 C2' DT B 2 5295 3969 8777 -1595 1566 761 C ATOM 542 C1' DT B 2 36.813 17.295 -16.153 1.00 46.13 C ANISOU 542 C1' DT B 2 5075 3870 8582 -1621 1507 837 C ATOM 543 N1 DT B 2 36.167 18.310 -15.281 1.00 47.96 N ANISOU 543 N1 DT B 2 5393 4308 8523 -1596 1358 872 N ATOM 544 C2 DT B 2 36.363 18.242 -13.918 1.00 52.98 C ANISOU 544 C2 DT B 2 5857 5094 9177 -1606 1227 1046 C ATOM 545 O2 DT B 2 37.048 17.390 -13.379 1.00 59.49 O ANISOU 545 O2 DT B 2 6463 5889 10250 -1635 1215 1196 O ATOM 546 N3 DT B 2 35.724 19.219 -13.205 1.00 50.80 N ANISOU 546 N3 DT B 2 5669 5010 8623 -1589 1109 1037 N ATOM 547 C4 DT B 2 34.929 20.228 -13.709 1.00 51.21 C ANISOU 547 C4 DT B 2 5950 5095 8411 -1552 1103 881 C ATOM 548 O4 DT B 2 34.405 21.059 -12.980 1.00 58.23 O ANISOU 548 O4 DT B 2 6887 6151 9086 -1535 996 871 O ATOM 549 C5 DT B 2 34.760 20.241 -15.141 1.00 48.42 C ANISOU 549 C5 DT B 2 5766 4573 8059 -1541 1230 729 C ATOM 550 C7 DT B 2 33.911 21.295 -15.800 1.00 35.62 C ANISOU 550 C7 DT B 2 4391 2969 6176 -1507 1220 579 C ATOM 551 C6 DT B 2 35.385 19.292 -15.850 1.00 48.41 C ANISOU 551 C6 DT B 2 5686 4404 8305 -1570 1354 728 C ATOM 552 P DC B 3 37.060 13.393 -17.794 1.00 62.82 P ANISOU 552 P DC B 3 6807 5498 11562 -1636 1805 806 P ATOM 553 OP1 DC B 3 38.113 12.631 -18.502 1.00 64.57 O ANISOU 553 OP1 DC B 3 6899 5504 12129 -1672 1969 731 O ATOM 554 OP2 DC B 3 35.667 13.417 -18.300 1.00 62.28 O ANISOU 554 OP2 DC B 3 6907 5491 11264 -1608 1791 714 O ATOM 555 O5' DC B 3 37.017 12.874 -16.289 1.00 52.85 O ANISOU 555 O5' DC B 3 5320 4347 10413 -1617 1629 1074 O ATOM 556 C5' DC B 3 36.753 13.808 -15.271 1.00 61.05 C ANISOU 556 C5' DC B 3 6404 5604 11187 -1610 1475 1175 C ATOM 557 C4' DC B 3 36.663 13.106 -13.939 1.00 67.06 C ANISOU 557 C4' DC B 3 6932 6475 12073 -1615 1320 1430 C ATOM 558 O4' DC B 3 36.232 14.068 -12.948 1.00 71.33 O ANISOU 558 O4' DC B 3 7532 7265 12306 -1617 1172 1499 O ATOM 559 C3' DC B 3 35.631 11.994 -13.903 1.00 66.57 C ANISOU 559 C3' DC B 3 6795 6402 12098 -1591 1281 1496 C ATOM 560 O3' DC B 3 35.998 11.036 -12.918 1.00 68.46 O ANISOU 560 O3' DC B 3 6759 6647 12605 -1616 1180 1745 O ATOM 561 C2' DC B 3 34.353 12.744 -13.544 1.00 62.43 C ANISOU 561 C2' DC B 3 6435 6100 11186 -1563 1174 1467 C ATOM 562 C1' DC B 3 34.865 13.866 -12.647 1.00 64.44 C ANISOU 562 C1' DC B 3 6703 6529 11254 -1586 1080 1524 C ATOM 563 N1 DC B 3 34.135 15.154 -12.846 1.00 58.47 N ANISOU 563 N1 DC B 3 6192 5902 10123 -1556 1059 1368 N ATOM 564 C2 DC B 3 33.935 16.004 -11.751 1.00 56.92 C ANISOU 564 C2 DC B 3 5994 5938 9696 -1567 924 1433 C ATOM 565 O2 DC B 3 34.381 15.674 -10.642 1.00 57.09 O ANISOU 565 O2 DC B 3 5815 6071 9807 -1613 824 1625 O ATOM 566 N3 DC B 3 33.264 17.166 -11.942 1.00 49.30 N ANISOU 566 N3 DC B 3 5240 5069 8424 -1534 906 1282 N ATOM 567 C4 DC B 3 32.811 17.484 -13.151 1.00 44.14 C ANISOU 567 C4 DC B 3 4791 4295 7687 -1495 1004 1100 C ATOM 568 N4 DC B 3 32.163 18.646 -13.284 1.00 46.26 N ANISOU 568 N4 DC B 3 5251 4651 7673 -1462 970 971 N ATOM 569 C5 DC B 3 33.004 16.629 -14.276 1.00 41.75 C ANISOU 569 C5 DC B 3 4497 3778 7590 -1496 1140 1038 C ATOM 570 C6 DC B 3 33.661 15.484 -14.081 1.00 46.33 C ANISOU 570 C6 DC B 3 4867 4259 8478 -1525 1169 1164 C ATOM 571 P DA B 4 35.080 9.743 -12.665 1.00 89.96 P ANISOU 571 P DA B 4 9345 9354 15481 -1606 1115 1874 P ATOM 572 OP1 DA B 4 35.973 8.616 -12.318 1.00 90.21 O ANISOU 572 OP1 DA B 4 9095 9227 15952 -1633 1107 2056 O ATOM 573 OP2 DA B 4 34.128 9.626 -13.794 1.00 84.76 O ANISOU 573 OP2 DA B 4 8874 8617 14712 -1568 1221 1662 O ATOM 574 O5' DA B 4 34.227 10.142 -11.377 1.00 76.17 O ANISOU 574 O5' DA B 4 7582 7916 13446 -1621 914 2041 O ATOM 575 C5' DA B 4 34.921 10.598 -10.222 1.00 73.86 C ANISOU 575 C5' DA B 4 7163 7784 13115 -1671 794 2217 C ATOM 576 C4' DA B 4 33.935 10.895 -9.113 1.00 66.22 C ANISOU 576 C4' DA B 4 6185 7121 11856 -1694 622 2338 C ATOM 577 O4' DA B 4 33.349 12.204 -9.327 1.00 62.65 O ANISOU 577 O4' DA B 4 5980 6806 11017 -1661 636 2138 O ATOM 578 C3' DA B 4 32.784 9.902 -9.048 1.00 64.29 C ANISOU 578 C3' DA B 4 5885 6899 11645 -1684 567 2416 C ATOM 579 O3' DA B 4 32.571 9.517 -7.697 1.00 64.76 O ANISOU 579 O3' DA B 4 5743 7179 11683 -1753 386 2682 O ATOM 580 C2' DA B 4 31.604 10.668 -9.641 1.00 58.84 C ANISOU 580 C2' DA B 4 5456 6296 10605 -1626 604 2191 C ATOM 581 C1' DA B 4 31.942 12.119 -9.316 1.00 59.41 C ANISOU 581 C1' DA B 4 5658 6520 10396 -1630 585 2096 C ATOM 582 N9 DA B 4 31.416 13.071 -10.294 1.00 57.94 N ANISOU 582 N9 DA B 4 5747 6297 9971 -1567 680 1832 N ATOM 583 C8 DA B 4 31.281 12.872 -11.639 1.00 57.14 C ANISOU 583 C8 DA B 4 5787 5980 9944 -1524 825 1655 C ATOM 584 N7 DA B 4 30.780 13.898 -12.282 1.00 54.54 N ANISOU 584 N7 DA B 4 5694 5676 9352 -1484 869 1457 N ATOM 585 C5 DA B 4 30.567 14.837 -11.287 1.00 53.70 C ANISOU 585 C5 DA B 4 5601 5803 8999 -1491 749 1492 C ATOM 586 C6 DA B 4 30.047 16.146 -11.319 1.00 53.85 C ANISOU 586 C6 DA B 4 5812 5941 8708 -1457 724 1343 C ATOM 587 N6 DA B 4 29.637 16.745 -12.445 1.00 51.75 N ANISOU 587 N6 DA B 4 5770 5571 8323 -1410 810 1147 N ATOM 588 N1 DA B 4 29.973 16.816 -10.150 1.00 51.40 N ANISOU 588 N1 DA B 4 5445 5861 8223 -1481 603 1404 N ATOM 589 C2 DA B 4 30.388 16.210 -9.033 1.00 52.04 C ANISOU 589 C2 DA B 4 5297 6063 8411 -1546 511 1614 C ATOM 590 N3 DA B 4 30.889 14.984 -8.881 1.00 54.51 N ANISOU 590 N3 DA B 4 5415 6284 9011 -1585 511 1793 N ATOM 591 C4 DA B 4 30.954 14.345 -10.057 1.00 53.79 C ANISOU 591 C4 DA B 4 5383 5945 9109 -1548 637 1714 C ATOM 592 P DC B 5 31.509 8.366 -7.343 1.00 95.31 P ANISOU 592 P DC B 5 9491 11101 15623 -1770 291 2841 P ATOM 593 OP1 DC B 5 32.069 7.558 -6.238 1.00100.75 O ANISOU 593 OP1 DC B 5 9887 11853 16542 -1859 149 3168 O ATOM 594 OP2 DC B 5 31.101 7.715 -8.606 1.00 90.97 O ANISOU 594 OP2 DC B 5 9036 10294 15235 -1703 430 2678 O ATOM 595 O5' DC B 5 30.255 9.183 -6.794 1.00 84.83 O ANISOU 595 O5' DC B 5 8298 10091 13843 -1770 199 2776 O ATOM 596 C5' DC B 5 30.513 10.233 -5.870 1.00 83.31 C ANISOU 596 C5' DC B 5 8110 10154 13390 -1817 114 2799 C ATOM 597 C4' DC B 5 29.384 11.247 -5.862 1.00 76.34 C ANISOU 597 C4' DC B 5 7431 9477 12098 -1777 100 2607 C ATOM 598 O4' DC B 5 29.404 12.050 -7.061 1.00 73.40 O ANISOU 598 O4' DC B 5 7310 8934 11643 -1687 247 2327 O ATOM 599 C3' DC B 5 27.983 10.656 -5.859 1.00 65.38 C ANISOU 599 C3' DC B 5 6055 8182 10604 -1761 51 2618 C ATOM 600 O3' DC B 5 27.599 10.416 -4.517 1.00 68.86 O ANISOU 600 O3' DC B 5 6315 8921 10928 -1856 -114 2831 O ATOM 601 C2' DC B 5 27.141 11.758 -6.497 1.00 58.30 C ANISOU 601 C2' DC B 5 5425 7334 9394 -1677 115 2337 C ATOM 602 C1' DC B 5 28.165 12.721 -7.092 1.00 60.02 C ANISOU 602 C1' DC B 5 5776 7406 9623 -1644 221 2179 C ATOM 603 N1 DC B 5 27.859 13.104 -8.487 1.00 52.04 N ANISOU 603 N1 DC B 5 5003 6193 8578 -1555 361 1934 N ATOM 604 C2 DC B 5 27.455 14.411 -8.746 1.00 49.79 C ANISOU 604 C2 DC B 5 4925 5985 8008 -1505 379 1730 C ATOM 605 O2 DC B 5 27.380 15.198 -7.798 1.00 55.95 O ANISOU 605 O2 DC B 5 5681 6992 8586 -1533 288 1742 O ATOM 606 N3 DC B 5 27.166 14.775 -10.016 1.00 45.02 N ANISOU 606 N3 DC B 5 4533 5208 7364 -1437 493 1529 N ATOM 607 C4 DC B 5 27.276 13.881 -10.999 1.00 51.52 C ANISOU 607 C4 DC B 5 5366 5805 8406 -1425 596 1510 C ATOM 608 N4 DC B 5 26.989 14.280 -12.242 1.00 54.23 N ANISOU 608 N4 DC B 5 5916 6005 8683 -1376 706 1312 N ATOM 609 C5 DC B 5 27.688 12.537 -10.755 1.00 53.16 C ANISOU 609 C5 DC B 5 5361 5922 8916 -1468 590 1692 C ATOM 610 C6 DC B 5 27.967 12.193 -9.493 1.00 53.40 C ANISOU 610 C6 DC B 5 5182 6111 8997 -1529 466 1910 C ATOM 611 P DT B 6 26.121 9.886 -4.178 1.00 80.99 P ANISOU 611 P DT B 6 7828 10643 12303 -1868 -200 2879 P ATOM 612 OP1 DT B 6 26.142 9.327 -2.809 1.00 82.92 O ANISOU 612 OP1 DT B 6 7820 11141 12547 -1999 -368 3171 O ATOM 613 OP2 DT B 6 25.656 9.060 -5.317 1.00 77.36 O ANISOU 613 OP2 DT B 6 7441 9919 12032 -1794 -103 2806 O ATOM 614 O5' DT B 6 25.239 11.217 -4.181 1.00 61.17 O ANISOU 614 O5' DT B 6 5525 8335 9384 -1814 -189 2628 O ATOM 615 C5' DT B 6 25.657 12.345 -3.423 1.00 58.79 C ANISOU 615 C5' DT B 6 5232 8238 8867 -1854 -232 2578 C ATOM 616 C4' DT B 6 24.615 13.437 -3.539 1.00 53.54 C ANISOU 616 C4' DT B 6 4755 7728 7861 -1789 -219 2330 C ATOM 617 O4' DT B 6 24.674 14.044 -4.854 1.00 51.75 O ANISOU 617 O4' DT B 6 4767 7243 7651 -1671 -81 2091 O ATOM 618 C3' DT B 6 23.186 12.934 -3.353 1.00 52.19 C ANISOU 618 C3' DT B 6 4565 7716 7548 -1785 -280 2344 C ATOM 619 O3' DT B 6 22.501 13.819 -2.483 1.00 51.80 O ANISOU 619 O3' DT B 6 4518 7991 7173 -1814 -354 2254 O ATOM 620 C2' DT B 6 22.598 12.936 -4.762 1.00 50.27 C ANISOU 620 C2' DT B 6 4535 7223 7341 -1659 -162 2149 C ATOM 621 C1' DT B 6 23.382 14.059 -5.432 1.00 52.08 C ANISOU 621 C1' DT B 6 4941 7293 7552 -1596 -62 1954 C ATOM 622 N1 DT B 6 23.517 13.871 -6.901 1.00 52.88 N ANISOU 622 N1 DT B 6 5209 7072 7812 -1511 74 1827 N ATOM 623 C2 DT B 6 23.250 14.924 -7.751 1.00 57.07 C ANISOU 623 C2 DT B 6 5970 7518 8194 -1425 151 1588 C ATOM 624 O2 DT B 6 22.903 16.029 -7.367 1.00 59.08 O ANISOU 624 O2 DT B 6 6303 7930 8213 -1403 112 1466 O ATOM 625 N3 DT B 6 23.405 14.632 -9.083 1.00 51.39 N ANISOU 625 N3 DT B 6 5383 6524 7621 -1374 273 1494 N ATOM 626 C4 DT B 6 23.786 13.424 -9.631 1.00 48.87 C ANISOU 626 C4 DT B 6 4984 6003 7580 -1393 335 1590 C ATOM 627 O4 DT B 6 23.897 13.267 -10.842 1.00 52.78 O ANISOU 627 O4 DT B 6 5604 6272 8177 -1356 454 1472 O ATOM 628 C5 DT B 6 24.047 12.369 -8.683 1.00 44.91 C ANISOU 628 C5 DT B 6 4236 5580 7249 -1470 249 1835 C ATOM 629 C7 DT B 6 24.469 11.012 -9.154 1.00 45.05 C ANISOU 629 C7 DT B 6 4135 5373 7608 -1493 303 1953 C ATOM 630 C6 DT B 6 23.899 12.637 -7.382 1.00 45.84 C ANISOU 630 C6 DT B 6 4227 5975 7217 -1528 120 1952 C ATOM 631 P DA B 7 20.995 13.501 -2.025 1.00 68.96 P ANISOU 631 P DA B 7 6649 10417 9137 -1829 -433 2257 P ATOM 632 OP1 DA B 7 20.813 14.046 -0.663 1.00 69.85 O ANISOU 632 OP1 DA B 7 6631 10910 8998 -1936 -539 2287 O ATOM 633 OP2 DA B 7 20.721 12.073 -2.303 1.00 63.87 O ANISOU 633 OP2 DA B 7 5905 9655 8709 -1850 -452 2450 O ATOM 634 O5' DA B 7 20.112 14.361 -3.038 1.00 48.61 O ANISOU 634 O5' DA B 7 4326 7737 6407 -1684 -344 1956 O ATOM 635 C5' DA B 7 20.264 15.771 -3.056 1.00 43.21 C ANISOU 635 C5' DA B 7 3777 7091 5549 -1633 -311 1734 C ATOM 636 C4' DA B 7 19.369 16.364 -4.123 1.00 44.72 C ANISOU 636 C4' DA B 7 4193 7151 5647 -1498 -239 1496 C ATOM 637 O4' DA B 7 19.870 15.950 -5.413 1.00 42.66 O ANISOU 637 O4' DA B 7 4055 6543 5610 -1435 -133 1485 O ATOM 638 C3' DA B 7 17.896 15.944 -4.059 1.00 42.96 C ANISOU 638 C3' DA B 7 3956 7081 5285 -1476 -286 1476 C ATOM 639 O3' DA B 7 17.097 17.124 -3.884 1.00 45.24 O ANISOU 639 O3' DA B 7 4340 7523 5326 -1415 -300 1251 O ATOM 640 C2' DA B 7 17.639 15.219 -5.386 1.00 37.45 C ANISOU 640 C2' DA B 7 3379 6093 4756 -1401 -204 1468 C ATOM 641 C1' DA B 7 18.789 15.694 -6.277 1.00 42.80 C ANISOU 641 C1' DA B 7 4191 6480 5589 -1356 -100 1392 C ATOM 642 N9 DA B 7 19.274 14.724 -7.258 1.00 46.18 N ANISOU 642 N9 DA B 7 4643 6623 6278 -1348 -17 1467 N ATOM 643 C8 DA B 7 19.689 13.442 -7.025 1.00 45.60 C ANISOU 643 C8 DA B 7 4401 6495 6429 -1419 -33 1681 C ATOM 644 N7 DA B 7 20.077 12.805 -8.103 1.00 44.85 N ANISOU 644 N7 DA B 7 4368 6116 6558 -1391 67 1673 N ATOM 645 C5 DA B 7 19.916 13.741 -9.115 1.00 47.66 C ANISOU 645 C5 DA B 7 4952 6348 6810 -1306 153 1447 C ATOM 646 C6 DA B 7 20.154 13.694 -10.504 1.00 46.98 C ANISOU 646 C6 DA B 7 5026 5990 6835 -1258 280 1325 C ATOM 647 N6 DA B 7 20.628 12.619 -11.142 1.00 51.84 N ANISOU 647 N6 DA B 7 5592 6393 7713 -1283 358 1391 N ATOM 648 N1 DA B 7 19.885 14.801 -11.221 1.00 42.88 N ANISOU 648 N1 DA B 7 4713 5425 6152 -1191 325 1128 N ATOM 649 C2 DA B 7 19.407 15.881 -10.592 1.00 45.43 C ANISOU 649 C2 DA B 7 5078 5943 6241 -1160 250 1048 C ATOM 650 N3 DA B 7 19.143 16.047 -9.298 1.00 46.67 N ANISOU 650 N3 DA B 7 5097 6360 6277 -1195 141 1122 N ATOM 651 C4 DA B 7 19.424 14.929 -8.609 1.00 47.46 C ANISOU 651 C4 DA B 7 4995 6519 6520 -1274 97 1328 C ATOM 652 P DC B 8 15.493 17.047 -3.990 1.00 46.28 P ANISOU 652 P DC B 8 4502 7795 5287 -1359 -332 1155 P ATOM 653 OP1 DC B 8 14.934 18.224 -3.298 1.00 44.44 O ANISOU 653 OP1 DC B 8 4272 7797 4815 -1341 -371 966 O ATOM 654 OP2 DC B 8 15.073 15.682 -3.606 1.00 44.04 O ANISOU 654 OP2 DC B 8 4057 7613 5061 -1441 -389 1373 O ATOM 655 O5' DC B 8 15.218 17.225 -5.541 1.00 37.85 O ANISOU 655 O5' DC B 8 3665 6414 4302 -1230 -239 1020 O ATOM 656 C5' DC B 8 15.429 18.493 -6.118 1.00 43.09 C ANISOU 656 C5' DC B 8 4506 6949 4916 -1142 -189 816 C ATOM 657 C4' DC B 8 14.770 18.495 -7.478 1.00 41.55 C ANISOU 657 C4' DC B 8 4498 6538 4749 -1041 -129 714 C ATOM 658 O4' DC B 8 15.460 17.529 -8.298 1.00 39.82 O ANISOU 658 O4' DC B 8 4302 6078 4748 -1065 -57 834 O ATOM 659 C3' DC B 8 13.306 18.078 -7.458 1.00 37.98 C ANISOU 659 C3' DC B 8 4022 6234 4174 -1011 -177 694 C ATOM 660 O3' DC B 8 12.536 19.144 -8.009 1.00 39.79 O ANISOU 660 O3' DC B 8 4406 6434 4280 -904 -173 488 O ATOM 661 C2' DC B 8 13.262 16.787 -8.283 1.00 40.11 C ANISOU 661 C2' DC B 8 4302 6330 4608 -1029 -130 822 C ATOM 662 C1' DC B 8 14.545 16.829 -9.102 1.00 37.93 C ANISOU 662 C1' DC B 8 4123 5766 4524 -1029 -36 833 C ATOM 663 N1 DC B 8 15.207 15.517 -9.370 1.00 40.97 N ANISOU 663 N1 DC B 8 4423 6005 5141 -1096 8 1006 N ATOM 664 C2 DC B 8 15.597 15.173 -10.671 1.00 45.46 C ANISOU 664 C2 DC B 8 5119 6290 5865 -1072 115 969 C ATOM 665 O2 DC B 8 15.373 15.953 -11.604 1.00 50.21 O ANISOU 665 O2 DC B 8 5908 6776 6395 -1005 165 811 O ATOM 666 N3 DC B 8 16.212 13.984 -10.884 1.00 48.02 N ANISOU 666 N3 DC B 8 5349 6472 6423 -1130 160 1108 N ATOM 667 C4 DC B 8 16.445 13.154 -9.867 1.00 52.47 C ANISOU 667 C4 DC B 8 5702 7156 7077 -1207 92 1300 C ATOM 668 N4 DC B 8 17.050 11.989 -10.135 1.00 52.65 N ANISOU 668 N4 DC B 8 5630 7011 7364 -1257 136 1433 N ATOM 669 C5 DC B 8 16.060 13.487 -8.532 1.00 50.53 C ANISOU 669 C5 DC B 8 5328 7214 6658 -1244 -25 1362 C ATOM 670 C6 DC B 8 15.457 14.667 -8.333 1.00 44.97 C ANISOU 670 C6 DC B 8 4716 6655 5714 -1187 -57 1199 C HETATM 671 N1 5CM B 9 11.877 14.559 -11.458 1.00 44.05 N ANISOU 671 N1 5CM B 9 5044 6347 5344 -969 28 838 N HETATM 672 C2 5CM B 9 12.720 13.803 -12.310 1.00 48.69 C ANISOU 672 C2 5CM B 9 5664 6681 6154 -1004 127 889 C HETATM 673 N3 5CM B 9 13.333 12.678 -11.880 1.00 43.82 N ANISOU 673 N3 5CM B 9 4886 6030 5734 -1082 130 1060 N HETATM 674 C4 5CM B 9 13.141 12.248 -10.620 1.00 39.45 C ANISOU 674 C4 5CM B 9 4141 5695 5152 -1137 30 1207 C HETATM 675 C5 5CM B 9 12.257 13.026 -9.714 1.00 37.54 C ANISOU 675 C5 5CM B 9 3867 5745 4650 -1115 -70 1154 C HETATM 676 C5A 5CM B 9 12.022 12.575 -8.297 1.00 33.20 C ANISOU 676 C5A 5CM B 9 3099 5476 4038 -1198 -180 1312 C HETATM 677 C6 5CM B 9 11.644 14.173 -10.199 1.00 39.49 C ANISOU 677 C6 5CM B 9 4280 6008 4718 -1023 -61 956 C HETATM 678 O2 5CM B 9 12.907 14.187 -13.484 1.00 47.07 O ANISOU 678 O2 5CM B 9 5631 6282 5970 -968 211 772 O HETATM 679 N4 5CM B 9 13.756 11.120 -10.191 1.00 39.73 N ANISOU 679 N4 5CM B 9 4007 5685 5402 -1219 20 1399 N HETATM 680 C1' 5CM B 9 11.240 15.760 -12.002 1.00 38.22 C ANISOU 680 C1' 5CM B 9 4474 5609 4437 -877 25 654 C HETATM 681 C2' 5CM B 9 9.903 16.138 -11.384 1.00 41.85 C ANISOU 681 C2' 5CM B 9 4892 6320 4688 -834 -69 594 C HETATM 682 C3' 5CM B 9 9.761 17.518 -11.990 1.00 39.51 C ANISOU 682 C3' 5CM B 9 4770 5944 4297 -743 -59 414 C HETATM 683 C4' 5CM B 9 11.177 18.071 -11.958 1.00 33.85 C ANISOU 683 C4' 5CM B 9 4087 5092 3683 -764 -11 411 C HETATM 684 O4' 5CM B 9 12.038 16.935 -11.863 1.00 32.28 O ANISOU 684 O4' 5CM B 9 3789 4814 3661 -850 35 567 O HETATM 685 O3' 5CM B 9 9.457 17.269 -13.356 1.00 46.07 O ANISOU 685 O3' 5CM B 9 5754 6583 5169 -718 1 377 O HETATM 686 C5' 5CM B 9 11.398 18.957 -10.743 1.00 37.21 C ANISOU 686 C5' 5CM B 9 4422 5705 4012 -762 -75 365 C HETATM 687 O5' 5CM B 9 10.769 18.350 -9.615 1.00 37.27 O ANISOU 687 O5' 5CM B 9 4241 5981 3937 -810 -149 446 O HETATM 688 P 5CM B 9 10.946 19.002 -8.165 1.00 44.65 P ANISOU 688 P 5CM B 9 5031 7177 4756 -846 -217 419 P HETATM 689 OP1 5CM B 9 10.356 20.386 -8.223 1.00 49.82 O ANISOU 689 OP1 5CM B 9 5781 7867 5279 -749 -240 203 O HETATM 690 OP2 5CM B 9 10.462 18.008 -7.139 1.00 43.22 O ANISOU 690 OP2 5CM B 9 4643 7256 4522 -936 -283 563 O ATOM 691 P DG B 10 8.293 18.085 -14.097 1.00 56.99 P ANISOU 691 P DG B 10 7280 7968 6407 -627 -32 237 P ATOM 692 OP1 DG B 10 8.651 19.518 -14.063 1.00 58.64 O ANISOU 692 OP1 DG B 10 7578 8134 6568 -566 -50 118 O ATOM 693 OP2 DG B 10 6.999 17.636 -13.544 1.00 60.58 O ANISOU 693 OP2 DG B 10 7630 8643 6746 -614 -106 252 O ATOM 694 O5' DG B 10 8.404 17.582 -15.610 1.00 49.04 O ANISOU 694 O5' DG B 10 6422 6729 5481 -650 56 239 O ATOM 695 C5' DG B 10 9.631 17.804 -16.312 1.00 51.27 C ANISOU 695 C5' DG B 10 6803 6793 5883 -683 145 229 C ATOM 696 C4' DG B 10 9.909 16.743 -17.368 1.00 52.98 C ANISOU 696 C4' DG B 10 7067 6842 6220 -753 245 270 C ATOM 697 O4' DG B 10 10.544 15.579 -16.775 1.00 50.28 O ANISOU 697 O4' DG B 10 6566 6499 6038 -822 279 392 O ATOM 698 C3' DG B 10 8.689 16.224 -18.122 1.00 55.43 C ANISOU 698 C3' DG B 10 7431 7179 6452 -749 237 249 C ATOM 699 O3' DG B 10 9.012 16.110 -19.514 1.00 57.18 O ANISOU 699 O3' DG B 10 7799 7209 6718 -794 334 199 O ATOM 700 C2' DG B 10 8.401 14.876 -17.457 1.00 52.06 C ANISOU 700 C2' DG B 10 6831 6848 6101 -798 228 363 C ATOM 701 C1' DG B 10 9.798 14.407 -17.059 1.00 52.30 C ANISOU 701 C1' DG B 10 6772 6775 6326 -857 290 444 C ATOM 702 N9 DG B 10 9.872 13.568 -15.862 1.00 48.75 N ANISOU 702 N9 DG B 10 6116 6455 5951 -896 239 582 N ATOM 703 C8 DG B 10 9.368 13.854 -14.616 1.00 46.27 C ANISOU 703 C8 DG B 10 5682 6380 5519 -874 131 625 C ATOM 704 N7 DG B 10 9.612 12.926 -13.733 1.00 46.74 N ANISOU 704 N7 DG B 10 5559 6521 5678 -938 100 774 N ATOM 705 C5 DG B 10 10.327 11.964 -14.432 1.00 43.90 C ANISOU 705 C5 DG B 10 5197 5944 5540 -993 194 830 C ATOM 706 C6 DG B 10 10.864 10.728 -14.001 1.00 38.18 C ANISOU 706 C6 DG B 10 4305 5172 5028 -1071 203 991 C ATOM 707 O6 DG B 10 10.810 10.214 -12.882 1.00 34.92 O ANISOU 707 O6 DG B 10 3713 4916 4640 -1116 120 1140 O ATOM 708 N1 DG B 10 11.521 10.058 -15.025 1.00 43.06 N ANISOU 708 N1 DG B 10 4972 5533 5856 -1104 321 970 N ATOM 709 C2 DG B 10 11.642 10.525 -16.312 1.00 43.50 C ANISOU 709 C2 DG B 10 5217 5422 5889 -1080 421 814 C ATOM 710 N2 DG B 10 12.308 9.737 -17.165 1.00 41.85 N ANISOU 710 N2 DG B 10 5017 4990 5895 -1131 538 798 N ATOM 711 N3 DG B 10 11.142 11.680 -16.732 1.00 43.76 N ANISOU 711 N3 DG B 10 5410 5507 5709 -1018 404 684 N ATOM 712 C4 DG B 10 10.500 12.347 -15.743 1.00 45.09 C ANISOU 712 C4 DG B 10 5532 5903 5698 -970 287 700 C ATOM 713 P DG B 11 7.846 15.904 -20.602 1.00 63.71 P ANISOU 713 P DG B 11 8735 8037 7435 -799 332 150 P ATOM 714 OP1 DG B 11 8.336 16.416 -21.896 1.00 68.36 O ANISOU 714 OP1 DG B 11 9499 8458 8018 -838 406 79 O ATOM 715 OP2 DG B 11 6.582 16.411 -20.020 1.00 56.59 O ANISOU 715 OP2 DG B 11 7803 7324 6374 -715 208 135 O ATOM 716 O5' DG B 11 7.722 14.320 -20.719 1.00 52.57 O ANISOU 716 O5' DG B 11 7223 6608 6142 -877 395 215 O ATOM 717 C5' DG B 11 8.861 13.577 -21.132 1.00 50.12 C ANISOU 717 C5' DG B 11 6892 6125 6025 -958 517 231 C ATOM 718 C4' DG B 11 8.562 12.101 -21.003 1.00 48.93 C ANISOU 718 C4' DG B 11 6615 5978 5998 -1016 548 299 C ATOM 719 O4' DG B 11 8.804 11.673 -19.636 1.00 48.79 O ANISOU 719 O4' DG B 11 6411 6059 6069 -1003 485 422 O ATOM 720 C3' DG B 11 7.107 11.756 -21.298 1.00 50.52 C ANISOU 720 C3' DG B 11 6837 6299 6061 -1007 493 287 C ATOM 721 O3' DG B 11 7.053 10.482 -21.881 1.00 58.86 O ANISOU 721 O3' DG B 11 7855 7264 7246 -1090 578 294 O ATOM 722 C2' DG B 11 6.511 11.689 -19.901 1.00 47.96 C ANISOU 722 C2' DG B 11 6360 6179 5683 -955 371 382 C ATOM 723 C1' DG B 11 7.659 10.958 -19.224 1.00 47.64 C ANISOU 723 C1' DG B 11 6176 6060 5866 -1003 415 481 C ATOM 724 N9 DG B 11 7.541 10.859 -17.771 1.00 46.65 N ANISOU 724 N9 DG B 11 5881 6115 5731 -984 312 598 N ATOM 725 C8 DG B 11 6.895 11.708 -16.904 1.00 47.28 C ANISOU 725 C8 DG B 11 5932 6406 5624 -918 200 591 C ATOM 726 N7 DG B 11 6.953 11.324 -15.656 1.00 46.90 N ANISOU 726 N7 DG B 11 5708 6510 5603 -940 130 710 N ATOM 727 C5 DG B 11 7.680 10.141 -15.702 1.00 47.77 C ANISOU 727 C5 DG B 11 5722 6484 5945 -1018 189 819 C ATOM 728 C6 DG B 11 8.070 9.262 -14.667 1.00 47.30 C ANISOU 728 C6 DG B 11 5461 6488 6024 -1081 145 991 C ATOM 729 O6 DG B 11 7.843 9.353 -13.452 1.00 48.51 O ANISOU 729 O6 DG B 11 5477 6858 6095 -1091 43 1086 O ATOM 730 N1 DG B 11 8.798 8.182 -15.162 1.00 46.53 N ANISOU 730 N1 DG B 11 5316 6173 6190 -1144 230 1053 N ATOM 731 C2 DG B 11 9.110 7.976 -16.485 1.00 44.17 C ANISOU 731 C2 DG B 11 5146 5643 5992 -1153 355 941 C ATOM 732 N2 DG B 11 9.820 6.879 -16.778 1.00 43.07 N ANISOU 732 N2 DG B 11 4923 5312 6130 -1218 433 1001 N ATOM 733 N3 DG B 11 8.752 8.789 -17.461 1.00 48.01 N ANISOU 733 N3 DG B 11 5824 6092 6325 -1110 399 780 N ATOM 734 C4 DG B 11 8.044 9.843 -16.996 1.00 48.26 C ANISOU 734 C4 DG B 11 5905 6316 6114 -1041 306 739 C ATOM 735 P DA B 12 6.788 10.324 -23.453 1.00 64.67 P ANISOU 735 P DA B 12 8745 7891 7935 -1160 675 176 P ATOM 736 OP1 DA B 12 7.799 11.136 -24.170 1.00 64.84 O ANISOU 736 OP1 DA B 12 8893 7779 7965 -1180 754 96 O ATOM 737 OP2 DA B 12 5.349 10.549 -23.695 1.00 61.39 O ANISOU 737 OP2 DA B 12 8388 7626 7310 -1129 588 159 O ATOM 738 O5' DA B 12 7.101 8.782 -23.725 1.00 51.20 O ANISOU 738 O5' DA B 12 6935 6063 6456 -1255 781 190 O ATOM 739 C5' DA B 12 8.433 8.300 -23.601 1.00 46.57 C ANISOU 739 C5' DA B 12 6267 5309 6118 -1296 878 204 C ATOM 740 C4' DA B 12 8.443 6.907 -22.999 1.00 42.24 C ANISOU 740 C4' DA B 12 5530 4725 5794 -1333 884 302 C ATOM 741 O4' DA B 12 8.341 6.998 -21.552 1.00 41.73 O ANISOU 741 O4' DA B 12 5326 4802 5728 -1272 754 456 O ATOM 742 C3' DA B 12 7.302 6.006 -23.454 1.00 41.48 C ANISOU 742 C3' DA B 12 5426 4672 5663 -1379 884 284 C ATOM 743 O3' DA B 12 7.802 4.702 -23.689 1.00 46.01 O ANISOU 743 O3' DA B 12 5887 5076 6518 -1458 984 285 O ATOM 744 C2' DA B 12 6.346 6.023 -22.263 1.00 43.08 C ANISOU 744 C2' DA B 12 5528 5089 5751 -1317 724 419 C ATOM 745 C1' DA B 12 7.327 6.121 -21.099 1.00 45.17 C ANISOU 745 C1' DA B 12 5657 5347 6159 -1286 683 541 C ATOM 746 N9 DA B 12 6.747 6.657 -19.867 1.00 44.54 N ANISOU 746 N9 DA B 12 5504 5497 5923 -1220 533 647 N ATOM 747 C8 DA B 12 6.168 7.882 -19.697 1.00 44.99 C ANISOU 747 C8 DA B 12 5659 5711 5725 -1143 454 596 C ATOM 748 N7 DA B 12 5.732 8.100 -18.480 1.00 44.27 N ANISOU 748 N7 DA B 12 5456 5822 5543 -1104 333 692 N ATOM 749 C5 DA B 12 6.052 6.941 -17.797 1.00 42.02 C ANISOU 749 C5 DA B 12 4991 5518 5457 -1165 324 836 C ATOM 750 C6 DA B 12 5.860 6.544 -16.459 1.00 43.94 C ANISOU 750 C6 DA B 12 5048 5935 5710 -1180 215 997 C ATOM 751 N6 DA B 12 5.268 7.313 -15.540 1.00 42.20 N ANISOU 751 N6 DA B 12 4793 5962 5279 -1133 105 1015 N ATOM 752 N1 DA B 12 6.299 5.321 -16.098 1.00 44.85 N ANISOU 752 N1 DA B 12 5006 5966 6069 -1255 223 1139 N ATOM 753 C2 DA B 12 6.891 4.557 -17.022 1.00 45.39 C ANISOU 753 C2 DA B 12 5098 5781 6367 -1300 342 1098 C ATOM 754 N3 DA B 12 7.124 4.822 -18.307 1.00 43.46 N ANISOU 754 N3 DA B 12 5019 5367 6128 -1295 463 929 N ATOM 755 C4 DA B 12 6.679 6.042 -18.636 1.00 41.47 C ANISOU 755 C4 DA B 12 4925 5215 5616 -1230 443 812 C ATOM 756 P DC B 13 6.932 3.642 -24.526 1.00 65.92 P ANISOU 756 P DC B 13 8416 7565 9065 -1540 1043 212 P ATOM 757 OP1 DC B 13 7.864 2.673 -25.139 1.00 59.28 O ANISOU 757 OP1 DC B 13 7511 6487 8526 -1626 1200 133 O ATOM 758 OP2 DC B 13 5.965 4.401 -25.356 1.00 60.72 O ANISOU 758 OP2 DC B 13 7938 7030 8103 -1538 1022 112 O ATOM 759 O5' DC B 13 6.080 2.884 -23.406 1.00 58.20 O ANISOU 759 O5' DC B 13 7276 6716 8120 -1518 912 382 O ATOM 760 C5' DC B 13 6.689 1.922 -22.566 1.00 50.71 C ANISOU 760 C5' DC B 13 6128 5675 7463 -1538 901 518 C ATOM 761 C4' DC B 13 5.723 1.523 -21.473 1.00 44.43 C ANISOU 761 C4' DC B 13 5208 5070 6602 -1518 748 689 C ATOM 762 O4' DC B 13 5.431 2.665 -20.639 1.00 47.28 O ANISOU 762 O4' DC B 13 5599 5649 6718 -1434 625 750 O ATOM 763 C3' DC B 13 4.358 1.036 -21.960 1.00 45.01 C ANISOU 763 C3' DC B 13 5324 5240 6537 -1552 726 647 C ATOM 764 O3' DC B 13 4.226 -0.335 -21.631 1.00 43.28 O ANISOU 764 O3' DC B 13 4939 4942 6562 -1618 720 748 O ATOM 765 C2' DC B 13 3.333 1.899 -21.214 1.00 42.57 C ANISOU 765 C2' DC B 13 5042 5215 5919 -1478 574 713 C ATOM 766 C1' DC B 13 4.171 2.406 -20.050 1.00 42.81 C ANISOU 766 C1' DC B 13 4974 5291 6000 -1427 506 837 C ATOM 767 N1 DC B 13 3.708 3.651 -19.376 1.00 33.97 N ANISOU 767 N1 DC B 13 3901 4402 4602 -1341 395 848 N ATOM 768 C2 DC B 13 3.480 3.628 -18.000 1.00 36.72 C ANISOU 768 C2 DC B 13 4096 4943 4912 -1325 267 1007 C ATOM 769 O2 DC B 13 3.651 2.566 -17.387 1.00 41.16 O ANISOU 769 O2 DC B 13 4490 5480 5667 -1387 238 1156 O ATOM 770 N3 DC B 13 3.069 4.761 -17.380 1.00 37.49 N ANISOU 770 N3 DC B 13 4227 5252 4768 -1251 176 992 N ATOM 771 C4 DC B 13 2.902 5.878 -18.080 1.00 39.57 C ANISOU 771 C4 DC B 13 4666 5515 4856 -1186 202 841 C ATOM 772 N4 DC B 13 2.500 6.966 -17.421 1.00 43.03 N ANISOU 772 N4 DC B 13 5117 6147 5086 -1110 112 821 N ATOM 773 C5 DC B 13 3.137 5.924 -19.485 1.00 38.67 C ANISOU 773 C5 DC B 13 4712 5207 4776 -1204 320 703 C ATOM 774 C6 DC B 13 3.536 4.799 -20.087 1.00 36.28 C ANISOU 774 C6 DC B 13 4375 4717 4691 -1286 417 705 C ATOM 775 P DA B 14 3.694 -1.379 -22.726 1.00 47.52 P ANISOU 775 P DA B 14 5504 5353 7199 -1710 823 627 P ATOM 776 OP1 DA B 14 3.945 -2.744 -22.219 1.00 44.89 O ANISOU 776 OP1 DA B 14 4970 4883 7203 -1768 818 753 O ATOM 777 OP2 DA B 14 4.219 -0.967 -24.046 1.00 44.48 O ANISOU 777 OP2 DA B 14 5279 4830 6791 -1739 979 410 O ATOM 778 O5' DA B 14 2.116 -1.155 -22.707 1.00 60.85 O ANISOU 778 O5' DA B 14 7257 7290 8574 -1697 719 637 O ATOM 779 C5' DA B 14 1.425 -1.232 -21.472 1.00 57.94 C ANISOU 779 C5' DA B 14 6767 7127 8120 -1664 559 822 C ATOM 780 C4' DA B 14 -0.047 -0.984 -21.709 1.00 52.82 C ANISOU 780 C4' DA B 14 6199 6693 7178 -1655 489 785 C ATOM 781 O4' DA B 14 -0.202 0.322 -22.315 1.00 53.23 O ANISOU 781 O4' DA B 14 6435 6822 6966 -1591 502 652 O ATOM 782 C3' DA B 14 -0.658 -1.949 -22.708 1.00 47.55 C ANISOU 782 C3' DA B 14 5562 5931 6573 -1748 569 688 C ATOM 783 O3' DA B 14 -1.068 -3.122 -22.034 1.00 50.39 O ANISOU 783 O3' DA B 14 5749 6300 7097 -1803 507 835 O ATOM 784 C2' DA B 14 -1.822 -1.138 -23.259 1.00 43.22 C ANISOU 784 C2' DA B 14 5165 5580 5674 -1716 526 595 C ATOM 785 C1' DA B 14 -1.240 0.277 -23.274 1.00 48.23 C ANISOU 785 C1' DA B 14 5916 6248 6160 -1626 522 542 C ATOM 786 N9 DA B 14 -0.682 0.716 -24.550 1.00 51.05 N ANISOU 786 N9 DA B 14 6435 6459 6501 -1655 652 367 N ATOM 787 C8 DA B 14 0.637 0.762 -24.912 1.00 55.22 C ANISOU 787 C8 DA B 14 6982 6781 7217 -1675 769 303 C ATOM 788 N7 DA B 14 0.843 1.211 -26.131 1.00 52.41 N ANISOU 788 N7 DA B 14 6785 6354 6774 -1716 872 140 N ATOM 789 C5 DA B 14 -0.431 1.485 -26.599 1.00 53.92 C ANISOU 789 C5 DA B 14 7068 6712 6707 -1722 812 105 C ATOM 790 C6 DA B 14 -0.910 1.992 -27.824 1.00 53.54 C ANISOU 790 C6 DA B 14 7189 6700 6453 -1770 855 -28 C ATOM 791 N6 DA B 14 -0.118 2.328 -28.849 1.00 58.14 N ANISOU 791 N6 DA B 14 7886 7156 7047 -1832 980 -161 N ATOM 792 N1 DA B 14 -2.243 2.140 -27.960 1.00 44.92 N ANISOU 792 N1 DA B 14 6137 5792 5137 -1762 762 -12 N ATOM 793 C2 DA B 14 -3.036 1.807 -26.942 1.00 46.73 C ANISOU 793 C2 DA B 14 6247 6162 5346 -1709 642 115 C ATOM 794 N3 DA B 14 -2.708 1.323 -25.748 1.00 52.38 N ANISOU 794 N3 DA B 14 6802 6873 6228 -1670 593 244 N ATOM 795 C4 DA B 14 -1.380 1.186 -25.638 1.00 54.43 C ANISOU 795 C4 DA B 14 7024 6944 6712 -1679 679 238 C TER 796 DA B 14 ATOM 797 O5' DG C 1 0.429 5.156 -7.503 1.00 43.17 O ANISOU 797 O5' DG C 1 4595 7405 4404 -147 117 994 O ATOM 798 C5' DG C 1 -0.097 3.940 -6.969 1.00 34.48 C ANISOU 798 C5' DG C 1 3410 6327 3365 -46 185 1142 C ATOM 799 C4' DG C 1 0.132 2.780 -7.921 1.00 33.22 C ANISOU 799 C4' DG C 1 3323 6008 3290 -143 276 1173 C ATOM 800 O4' DG C 1 -0.583 3.027 -9.155 1.00 41.26 O ANISOU 800 O4' DG C 1 4501 6850 4328 -306 215 1134 O ATOM 801 C3' DG C 1 1.576 2.581 -8.358 1.00 37.48 C ANISOU 801 C3' DG C 1 3888 6538 3813 -190 360 1085 C ATOM 802 O3' DG C 1 2.244 1.736 -7.438 1.00 41.56 O ANISOU 802 O3' DG C 1 4265 7172 4354 -51 460 1155 O ATOM 803 C2' DG C 1 1.393 1.889 -9.701 1.00 35.75 C ANISOU 803 C2' DG C 1 3804 6122 3658 -336 390 1074 C ATOM 804 C1' DG C 1 0.199 2.643 -10.268 1.00 36.59 C ANISOU 804 C1' DG C 1 4012 6141 3750 -426 274 1060 C ATOM 805 N9 DG C 1 0.547 3.837 -11.035 1.00 35.09 N ANISOU 805 N9 DG C 1 3931 5918 3482 -545 212 938 N ATOM 806 C8 DG C 1 0.361 5.151 -10.679 1.00 33.61 C ANISOU 806 C8 DG C 1 3737 5801 3232 -541 116 886 C ATOM 807 N7 DG C 1 0.771 6.000 -11.584 1.00 30.12 N ANISOU 807 N7 DG C 1 3397 5296 2751 -665 83 790 N ATOM 808 C5 DG C 1 1.266 5.198 -12.601 1.00 30.23 C ANISOU 808 C5 DG C 1 3493 5206 2785 -750 163 777 C ATOM 809 C6 DG C 1 1.848 5.545 -13.844 1.00 34.00 C ANISOU 809 C6 DG C 1 4089 5599 3230 -881 177 701 C ATOM 810 O6 DG C 1 2.049 6.671 -14.310 1.00 38.95 O ANISOU 810 O6 DG C 1 4767 6216 3815 -959 123 641 O ATOM 811 N1 DG C 1 2.218 4.425 -14.580 1.00 30.96 N ANISOU 811 N1 DG C 1 3755 5137 2872 -915 265 705 N ATOM 812 C2 DG C 1 2.042 3.127 -14.164 1.00 40.46 C ANISOU 812 C2 DG C 1 4897 6328 4146 -838 328 772 C ATOM 813 N2 DG C 1 2.453 2.167 -15.003 1.00 38.27 N ANISOU 813 N2 DG C 1 4677 5965 3898 -882 401 752 N ATOM 814 N3 DG C 1 1.492 2.784 -13.005 1.00 45.98 N ANISOU 814 N3 DG C 1 5480 7098 4891 -720 321 859 N ATOM 815 C4 DG C 1 1.132 3.868 -12.277 1.00 38.20 C ANISOU 815 C4 DG C 1 4448 6205 3860 -678 238 857 C ATOM 816 P DT C 2 3.838 1.794 -7.300 1.00 40.36 P ANISOU 816 P DT C 2 4078 7100 4158 -32 535 1068 P ATOM 817 OP1 DT C 2 4.235 0.850 -6.234 1.00 44.72 O ANISOU 817 OP1 DT C 2 4470 7782 4741 132 631 1171 O ATOM 818 OP2 DT C 2 4.235 3.217 -7.228 1.00 40.57 O ANISOU 818 OP2 DT C 2 4126 7190 4099 -58 448 942 O ATOM 819 O5' DT C 2 4.359 1.229 -8.700 1.00 36.10 O ANISOU 819 O5' DT C 2 3676 6381 3660 -191 596 1015 O ATOM 820 C5' DT C 2 4.206 -0.146 -9.035 1.00 30.57 C ANISOU 820 C5' DT C 2 2972 5583 3059 -195 679 1096 C ATOM 821 C4' DT C 2 4.700 -0.380 -10.444 1.00 28.20 C ANISOU 821 C4' DT C 2 2818 5129 2766 -347 709 1007 C ATOM 822 O4' DT C 2 3.996 0.520 -11.336 1.00 29.93 O ANISOU 822 O4' DT C 2 3172 5257 2942 -470 606 942 O ATOM 823 C3' DT C 2 6.174 -0.061 -10.676 1.00 32.43 C ANISOU 823 C3' DT C 2 3369 5714 3238 -374 769 911 C ATOM 824 O3' DT C 2 6.959 -1.190 -10.382 1.00 42.55 O ANISOU 824 O3' DT C 2 4574 7018 4573 -308 886 953 O ATOM 825 C2' DT C 2 6.203 0.202 -12.172 1.00 32.61 C ANISOU 825 C2' DT C 2 3560 5593 3236 -536 745 823 C ATOM 826 C1' DT C 2 4.855 0.880 -12.401 1.00 32.76 C ANISOU 826 C1' DT C 2 3642 5557 3248 -585 626 835 C ATOM 827 N1 DT C 2 4.955 2.358 -12.462 1.00 35.90 N ANISOU 827 N1 DT C 2 4077 6001 3562 -634 543 763 N ATOM 828 C2 DT C 2 5.497 2.912 -13.597 1.00 35.10 C ANISOU 828 C2 DT C 2 4090 5833 3412 -757 540 679 C ATOM 829 O2 DT C 2 5.884 2.237 -14.530 1.00 37.34 O ANISOU 829 O2 DT C 2 4450 6036 3704 -818 602 656 O ATOM 830 N3 DT C 2 5.557 4.280 -13.602 1.00 36.25 N ANISOU 830 N3 DT C 2 4252 6014 3507 -798 460 626 N ATOM 831 C4 DT C 2 5.138 5.119 -12.585 1.00 39.83 C ANISOU 831 C4 DT C 2 4621 6561 3952 -726 378 632 C ATOM 832 O4 DT C 2 5.227 6.337 -12.678 1.00 39.29 O ANISOU 832 O4 DT C 2 4567 6506 3856 -771 302 575 O ATOM 833 C5 DT C 2 4.589 4.468 -11.416 1.00 36.99 C ANISOU 833 C5 DT C 2 4147 6284 3624 -588 385 712 C ATOM 834 C7 DT C 2 4.114 5.292 -10.259 1.00 32.40 C ANISOU 834 C7 DT C 2 3464 5826 3019 -484 297 718 C ATOM 835 C6 DT C 2 4.517 3.131 -11.405 1.00 35.16 C ANISOU 835 C6 DT C 2 3895 6018 3446 -549 470 783 C ATOM 836 P DC C 3 8.432 -1.019 -9.765 1.00 43.38 P ANISOU 836 P DC C 3 4595 7260 4626 -240 962 912 P ATOM 837 OP1 DC C 3 9.015 -2.362 -9.624 1.00 37.12 O ANISOU 837 OP1 DC C 3 3738 6457 3907 -186 1084 972 O ATOM 838 OP2 DC C 3 8.331 -0.136 -8.585 1.00 49.30 O ANISOU 838 OP2 DC C 3 5238 8174 5319 -131 901 919 O ATOM 839 O5' DC C 3 9.231 -0.219 -10.896 1.00 39.86 O ANISOU 839 O5' DC C 3 4282 6751 4113 -380 948 785 O ATOM 840 C5' DC C 3 9.694 -0.858 -12.065 1.00 39.60 C ANISOU 840 C5' DC C 3 4352 6600 4096 -475 1012 746 C ATOM 841 C4' DC C 3 10.136 0.177 -13.078 1.00 40.47 C ANISOU 841 C4' DC C 3 4579 6667 4129 -598 972 649 C ATOM 842 O4' DC C 3 9.132 1.208 -13.190 1.00 43.23 O ANISOU 842 O4' DC C 3 4978 6997 4452 -646 851 638 O ATOM 843 C3' DC C 3 11.390 0.975 -12.752 1.00 40.94 C ANISOU 843 C3' DC C 3 4590 6826 4138 -585 995 594 C ATOM 844 O3' DC C 3 12.531 0.188 -13.067 1.00 47.76 O ANISOU 844 O3' DC C 3 5450 7687 5008 -583 1112 581 O ATOM 845 C2' DC C 3 11.242 2.132 -13.734 1.00 41.65 C ANISOU 845 C2' DC C 3 4793 6853 4179 -710 919 532 C ATOM 846 C1' DC C 3 9.725 2.296 -13.868 1.00 39.18 C ANISOU 846 C1' DC C 3 4532 6476 3879 -736 821 563 C ATOM 847 N1 DC C 3 9.247 3.552 -13.252 1.00 33.64 N ANISOU 847 N1 DC C 3 3791 5833 3159 -722 711 548 N ATOM 848 C2 DC C 3 9.413 4.746 -13.947 1.00 37.40 C ANISOU 848 C2 DC C 3 4334 6275 3602 -821 650 492 C ATOM 849 O2 DC C 3 9.947 4.719 -15.062 1.00 45.77 O ANISOU 849 O2 DC C 3 5484 7268 4638 -913 695 467 O ATOM 850 N3 DC C 3 8.983 5.897 -13.384 1.00 35.38 N ANISOU 850 N3 DC C 3 4035 6063 3344 -807 543 470 N ATOM 851 C4 DC C 3 8.418 5.876 -12.181 1.00 34.18 C ANISOU 851 C4 DC C 3 3782 6000 3206 -692 498 497 C ATOM 852 N4 DC C 3 8.012 7.042 -11.671 1.00 32.05 N ANISOU 852 N4 DC C 3 3471 5774 2933 -675 385 461 N ATOM 853 C5 DC C 3 8.244 4.663 -11.452 1.00 37.68 C ANISOU 853 C5 DC C 3 4154 6494 3671 -582 565 566 C ATOM 854 C6 DC C 3 8.670 3.532 -12.021 1.00 32.94 C ANISOU 854 C6 DC C 3 3592 5834 3088 -605 671 593 C HETATM 855 P 5HC C 4 13.998 0.650 -12.600 1.00 49.21 P ANISOU 855 P 5HC C 4 5558 7978 5163 -546 1165 540 P HETATM 856 OP1 5HC C 4 14.899 -0.559 -12.642 1.00 56.11 O ANISOU 856 OP1 5HC C 4 6403 8856 6062 -508 1296 560 O HETATM 857 OP2 5HC C 4 13.859 1.451 -11.336 1.00 44.34 O ANISOU 857 OP2 5HC C 4 4822 7485 4541 -452 1094 540 O HETATM 858 O5' 5HC C 4 14.461 1.674 -13.752 1.00 49.17 O ANISOU 858 O5' 5HC C 4 5660 7912 5109 -676 1135 473 O HETATM 859 C5' 5HC C 4 14.823 1.195 -15.043 1.00 51.52 C ANISOU 859 C5' 5HC C 4 6071 8121 5383 -763 1198 455 C HETATM 860 C4' 5HC C 4 15.062 2.392 -15.953 1.00 50.64 C ANISOU 860 C4' 5HC C 4 6036 7978 5227 -868 1150 416 C HETATM 861 O4' 5HC C 4 14.006 3.330 -15.758 1.00 49.44 O ANISOU 861 O4' 5HC C 4 5895 7811 5078 -893 1028 417 O HETATM 862 C3' 5HC C 4 16.379 3.117 -15.702 1.00 51.92 C ANISOU 862 C3' 5HC C 4 6129 8208 5389 -863 1182 391 C HETATM 863 O3' 5HC C 4 17.134 3.047 -16.918 1.00 51.61 O ANISOU 863 O3' 5HC C 4 6174 8125 5310 -939 1252 383 O HETATM 864 C2' 5HC C 4 16.006 4.553 -15.383 1.00 50.39 C ANISOU 864 C2' 5HC C 4 5905 8029 5213 -890 1062 370 C HETATM 865 C1' 5HC C 4 14.525 4.659 -15.710 1.00 44.56 C ANISOU 865 C1' 5HC C 4 5246 7224 4462 -929 975 387 C HETATM 866 N1 5HC C 4 13.818 5.452 -14.707 1.00 37.22 N ANISOU 866 N1 5HC C 4 4240 6340 3561 -880 864 378 N HETATM 867 C2 5HC C 4 13.394 6.769 -15.000 1.00 39.13 C ANISOU 867 C2 5HC C 4 4506 6550 3812 -950 758 356 C HETATM 868 O2 5HC C 4 13.639 7.271 -16.118 1.00 44.22 O ANISOU 868 O2 5HC C 4 5231 7129 4442 -1053 764 357 O HETATM 869 N3 5HC C 4 12.731 7.507 -14.087 1.00 40.20 N ANISOU 869 N3 5HC C 4 4571 6729 3973 -900 649 338 N HETATM 870 C4 5HC C 4 12.449 6.997 -12.874 1.00 36.63 C ANISOU 870 C4 5HC C 4 4023 6366 3527 -774 643 346 C HETATM 871 N4 5HC C 4 11.778 7.744 -11.965 1.00 39.41 N ANISOU 871 N4 5HC C 4 4303 6777 3893 -710 532 324 N HETATM 872 C5 5HC C 4 12.876 5.612 -12.562 1.00 33.72 C ANISOU 872 C5 5HC C 4 3625 6036 3149 -700 760 385 C HETATM 873 C5M 5HC C 4 12.586 4.981 -11.222 1.00 40.12 C ANISOU 873 C5M 5HC C 4 4318 6958 3968 -549 768 419 C HETATM 874 O5 5HC C 4 11.219 5.226 -10.887 1.00 44.85 O ANISOU 874 O5 5HC C 4 4923 7552 4565 -527 673 449 O HETATM 875 C6 5HC C 4 13.553 4.891 -13.528 1.00 35.22 C ANISOU 875 C6 5HC C 4 3891 6165 3325 -763 866 396 C ATOM 876 P DG C 5 18.401 4.011 -17.160 1.00 48.82 P ANISOU 876 P DG C 5 5783 7805 4962 -977 1276 371 P ATOM 877 OP1 DG C 5 19.207 3.427 -18.247 1.00 57.50 O ANISOU 877 OP1 DG C 5 6954 8883 6013 -1016 1384 379 O ATOM 878 OP2 DG C 5 19.034 4.283 -15.855 1.00 42.69 O ANISOU 878 OP2 DG C 5 4865 7117 4239 -893 1268 353 O ATOM 879 O5' DG C 5 17.749 5.376 -17.679 1.00 50.14 O ANISOU 879 O5' DG C 5 5992 7925 5132 -1064 1164 372 O ATOM 880 C5' DG C 5 16.982 5.412 -18.879 1.00 44.94 C ANISOU 880 C5' DG C 5 5462 7194 4420 -1144 1144 388 C ATOM 881 C4' DG C 5 16.857 6.839 -19.395 1.00 46.15 C ANISOU 881 C4' DG C 5 5626 7320 4590 -1226 1066 403 C ATOM 882 O4' DG C 5 16.111 7.654 -18.454 1.00 46.09 O ANISOU 882 O4' DG C 5 5554 7318 4641 -1207 946 384 O ATOM 883 C3' DG C 5 18.163 7.598 -19.594 1.00 50.02 C ANISOU 883 C3' DG C 5 6052 7834 5120 -1251 1108 420 C ATOM 884 O3' DG C 5 17.955 8.558 -20.608 1.00 53.38 O ANISOU 884 O3' DG C 5 6530 8214 5539 -1341 1071 461 O ATOM 885 C2' DG C 5 18.367 8.281 -18.249 1.00 43.03 C ANISOU 885 C2' DG C 5 5030 6990 4328 -1196 1034 382 C ATOM 886 C1' DG C 5 16.932 8.666 -17.909 1.00 44.73 C ANISOU 886 C1' DG C 5 5271 7177 4547 -1201 913 368 C ATOM 887 N9 DG C 5 16.685 8.690 -16.474 1.00 45.00 N ANISOU 887 N9 DG C 5 5199 7272 4625 -1105 851 324 N ATOM 888 C8 DG C 5 17.109 7.756 -15.566 1.00 37.77 C ANISOU 888 C8 DG C 5 4216 6431 3703 -1002 912 308 C ATOM 889 N7 DG C 5 16.749 8.019 -14.346 1.00 38.26 N ANISOU 889 N7 DG C 5 4181 6559 3799 -914 836 273 N ATOM 890 C5 DG C 5 16.033 9.205 -14.451 1.00 43.84 C ANISOU 890 C5 DG C 5 4894 7224 4540 -966 713 256 C ATOM 891 C6 DG C 5 15.393 9.969 -13.450 1.00 41.76 C ANISOU 891 C6 DG C 5 4547 7004 4315 -905 587 209 C ATOM 892 O6 DG C 5 15.337 9.735 -12.239 1.00 45.55 O ANISOU 892 O6 DG C 5 4927 7583 4796 -782 562 177 O ATOM 893 N1 DG C 5 14.781 11.104 -13.969 1.00 39.46 N ANISOU 893 N1 DG C 5 4293 6640 4061 -991 485 204 N ATOM 894 C2 DG C 5 14.781 11.449 -15.299 1.00 45.61 C ANISOU 894 C2 DG C 5 5173 7323 4835 -1118 507 250 C ATOM 895 N2 DG C 5 14.134 12.578 -15.615 1.00 43.45 N ANISOU 895 N2 DG C 5 4913 6990 4607 -1185 400 248 N ATOM 896 N3 DG C 5 15.375 10.740 -16.251 1.00 50.19 N ANISOU 896 N3 DG C 5 5829 7875 5365 -1167 626 297 N ATOM 897 C4 DG C 5 15.981 9.633 -15.756 1.00 48.37 C ANISOU 897 C4 DG C 5 5568 7707 5103 -1087 722 291 C ATOM 898 P DG C 6 19.206 9.264 -21.319 1.00 55.80 P ANISOU 898 P DG C 6 6798 8528 5875 -1387 1132 514 P ATOM 899 OP1 DG C 6 19.083 9.041 -22.776 1.00 56.34 O ANISOU 899 OP1 DG C 6 6982 8581 5842 -1438 1191 566 O ATOM 900 OP2 DG C 6 20.430 8.861 -20.594 1.00 54.54 O ANISOU 900 OP2 DG C 6 6543 8421 5759 -1325 1206 493 O ATOM 901 O5' DG C 6 18.974 10.814 -21.024 1.00 54.50 O ANISOU 901 O5' DG C 6 6555 8327 5826 -1434 1014 526 O ATOM 902 C5' DG C 6 17.794 11.439 -21.497 1.00 52.67 C ANISOU 902 C5' DG C 6 6388 8044 5580 -1493 923 545 C ATOM 903 C4' DG C 6 17.704 12.860 -20.972 1.00 55.47 C ANISOU 903 C4' DG C 6 6640 8364 6073 -1522 807 540 C ATOM 904 O4' DG C 6 17.358 12.855 -19.563 1.00 57.18 O ANISOU 904 O4' DG C 6 6777 8606 6342 -1449 724 455 O ATOM 905 C3' DG C 6 18.986 13.670 -21.098 1.00 55.16 C ANISOU 905 C3' DG C 6 6491 8318 6148 -1545 836 581 C ATOM 906 O3' DG C 6 18.629 14.968 -21.551 1.00 57.46 O ANISOU 906 O3' DG C 6 6754 8546 6532 -1621 752 632 O ATOM 907 C2' DG C 6 19.556 13.658 -19.680 1.00 55.66 C ANISOU 907 C2' DG C 6 6426 8420 6302 -1464 799 494 C ATOM 908 C1' DG C 6 18.304 13.590 -18.812 1.00 51.90 C ANISOU 908 C1' DG C 6 5964 7951 5805 -1421 691 422 C ATOM 909 N9 DG C 6 18.477 12.921 -17.519 1.00 48.45 N ANISOU 909 N9 DG C 6 5458 7589 5363 -1311 689 342 N ATOM 910 C8 DG C 6 19.178 11.767 -17.253 1.00 48.02 C ANISOU 910 C8 DG C 6 5403 7596 5247 -1247 800 334 C ATOM 911 N7 DG C 6 19.143 11.408 -15.996 1.00 43.21 N ANISOU 911 N7 DG C 6 4714 7057 4647 -1143 771 268 N ATOM 912 C5 DG C 6 18.363 12.383 -15.384 1.00 41.79 C ANISOU 912 C5 DG C 6 4481 6867 4532 -1133 627 220 C ATOM 913 C6 DG C 6 17.968 12.529 -14.027 1.00 39.77 C ANISOU 913 C6 DG C 6 4127 6683 4300 -1025 534 141 C ATOM 914 O6 DG C 6 18.234 11.812 -13.049 1.00 37.03 O ANISOU 914 O6 DG C 6 3715 6432 3923 -912 565 105 O ATOM 915 N1 DG C 6 17.184 13.660 -13.840 1.00 37.85 N ANISOU 915 N1 DG C 6 3856 6402 4123 -1049 392 106 N ATOM 916 C2 DG C 6 16.820 14.533 -14.833 1.00 42.60 C ANISOU 916 C2 DG C 6 4516 6902 4770 -1167 348 151 C ATOM 917 N2 DG C 6 16.059 15.565 -14.454 1.00 42.87 N ANISOU 917 N2 DG C 6 4507 6909 4874 -1171 205 105 N ATOM 918 N3 DG C 6 17.176 14.410 -16.106 1.00 45.16 N ANISOU 918 N3 DG C 6 4927 7163 5069 -1266 438 236 N ATOM 919 C4 DG C 6 17.948 13.316 -16.309 1.00 44.55 C ANISOU 919 C4 DG C 6 4879 7127 4920 -1240 574 263 C ATOM 920 P DT C 7 19.754 16.092 -21.764 1.00 69.52 P ANISOU 920 P DT C 7 8150 10037 8226 -1662 754 695 P ATOM 921 OP1 DT C 7 19.347 16.933 -22.912 1.00 68.98 O ANISOU 921 OP1 DT C 7 8117 9917 8175 -1749 740 805 O ATOM 922 OP2 DT C 7 21.074 15.425 -21.745 1.00 67.90 O ANISOU 922 OP2 DT C 7 7907 9882 8010 -1621 875 707 O ATOM 923 O5' DT C 7 19.656 16.970 -20.440 1.00 68.81 O ANISOU 923 O5' DT C 7 7922 9919 8305 -1628 609 596 O ATOM 924 C5' DT C 7 18.436 17.611 -20.098 1.00 62.53 C ANISOU 924 C5' DT C 7 7137 9084 7538 -1644 475 553 C ATOM 925 C4' DT C 7 18.632 18.303 -18.767 1.00 59.49 C ANISOU 925 C4' DT C 7 6601 8696 7306 -1585 352 440 C ATOM 926 O4' DT C 7 18.744 17.308 -17.724 1.00 50.96 O ANISOU 926 O4' DT C 7 5513 7706 6143 -1477 374 346 O ATOM 927 C3' DT C 7 19.910 19.136 -18.685 1.00 61.44 C ANISOU 927 C3' DT C 7 6695 8903 7747 -1599 345 454 C ATOM 928 O3' DT C 7 19.540 20.502 -18.555 1.00 66.55 O ANISOU 928 O3' DT C 7 7249 9464 8573 -1642 205 440 O ATOM 929 C2' DT C 7 20.662 18.605 -17.461 1.00 58.07 C ANISOU 929 C2' DT C 7 6176 8551 7334 -1490 348 340 C ATOM 930 C1' DT C 7 19.601 17.796 -16.722 1.00 53.23 C ANISOU 930 C1' DT C 7 5641 8012 6571 -1414 317 261 C ATOM 931 N1 DT C 7 20.108 16.605 -15.991 1.00 54.23 N ANISOU 931 N1 DT C 7 5764 8241 6598 -1313 399 210 N ATOM 932 C2 DT C 7 19.764 16.431 -14.664 1.00 53.14 C ANISOU 932 C2 DT C 7 5559 8181 6450 -1199 320 97 C ATOM 933 O2 DT C 7 19.067 17.214 -14.038 1.00 53.28 O ANISOU 933 O2 DT C 7 5520 8191 6532 -1172 180 25 O ATOM 934 N3 DT C 7 20.276 15.297 -14.088 1.00 45.54 N ANISOU 934 N3 DT C 7 4591 7316 5397 -1109 413 73 N ATOM 935 C4 DT C 7 21.067 14.342 -14.690 1.00 45.63 C ANISOU 935 C4 DT C 7 4661 7344 5335 -1125 568 141 C ATOM 936 O4 DT C 7 21.469 13.356 -14.080 1.00 45.91 O ANISOU 936 O4 DT C 7 4679 7463 5299 -1039 641 116 O ATOM 937 C5 DT C 7 21.386 14.586 -16.078 1.00 48.34 C ANISOU 937 C5 DT C 7 5077 7605 5686 -1243 639 247 C ATOM 938 C7 DT C 7 22.242 13.616 -16.834 1.00 49.49 C ANISOU 938 C7 DT C 7 5287 7771 5746 -1259 804 319 C ATOM 939 C6 DT C 7 20.896 15.688 -16.659 1.00 48.41 C ANISOU 939 C6 DT C 7 5088 7528 5777 -1328 555 281 C ATOM 940 P DA C 8 20.645 21.612 -18.211 1.00 88.70 P ANISOU 940 P DA C 8 9859 12201 11643 -1650 140 422 P ATOM 941 OP1 DA C 8 20.198 22.894 -18.797 1.00 91.67 O ANISOU 941 OP1 DA C 8 10188 12464 12178 -1740 50 490 O ATOM 942 OP2 DA C 8 21.973 21.061 -18.560 1.00 91.05 O ANISOU 942 OP2 DA C 8 10131 12529 11937 -1644 279 485 O ATOM 943 O5' DA C 8 20.583 21.719 -16.621 1.00 64.76 O ANISOU 943 O5' DA C 8 6719 9217 8671 -1535 10 232 O ATOM 944 C5' DA C 8 19.349 21.988 -15.970 1.00 58.80 C ANISOU 944 C5' DA C 8 5984 8474 7883 -1498 -119 139 C ATOM 945 C4' DA C 8 19.588 22.225 -14.492 1.00 57.28 C ANISOU 945 C4' DA C 8 5651 8339 7774 -1375 -239 -38 C ATOM 946 O4' DA C 8 19.894 20.964 -13.846 1.00 56.19 O ANISOU 946 O4' DA C 8 5549 8332 7470 -1272 -149 -83 O ATOM 947 C3' DA C 8 20.751 23.156 -14.161 1.00 61.13 C ANISOU 947 C3' DA C 8 5950 8763 8515 -1370 -307 -91 C ATOM 948 O3' DA C 8 20.429 23.899 -12.996 1.00 66.28 O ANISOU 948 O3' DA C 8 6474 9427 9282 -1281 -489 -263 O ATOM 949 C2' DA C 8 21.903 22.190 -13.902 1.00 57.35 C ANISOU 949 C2' DA C 8 5455 8369 7968 -1309 -181 -94 C ATOM 950 C1' DA C 8 21.180 21.010 -13.259 1.00 55.16 C ANISOU 950 C1' DA C 8 5282 8228 7448 -1212 -140 -147 C ATOM 951 N9 DA C 8 21.850 19.725 -13.467 1.00 51.95 N ANISOU 951 N9 DA C 8 4949 7900 6891 -1189 31 -88 N ATOM 952 C8 DA C 8 22.378 19.240 -14.633 1.00 47.83 C ANISOU 952 C8 DA C 8 4515 7343 6316 -1276 183 54 C ATOM 953 N7 DA C 8 22.925 18.052 -14.514 1.00 46.86 N ANISOU 953 N7 DA C 8 4438 7306 6060 -1224 312 67 N ATOM 954 C5 DA C 8 22.743 17.733 -13.178 1.00 46.85 C ANISOU 954 C5 DA C 8 4371 7405 6023 -1094 246 -64 C ATOM 955 C6 DA C 8 23.093 16.603 -12.411 1.00 46.59 C ANISOU 955 C6 DA C 8 4335 7496 5870 -983 323 -107 C ATOM 956 N6 DA C 8 23.732 15.537 -12.904 1.00 44.70 N ANISOU 956 N6 DA C 8 4168 7288 5530 -994 485 -30 N ATOM 957 N1 DA C 8 22.759 16.609 -11.106 1.00 50.58 N ANISOU 957 N1 DA C 8 4755 8100 6365 -853 226 -231 N ATOM 958 C2 DA C 8 22.119 17.672 -10.603 1.00 54.57 C ANISOU 958 C2 DA C 8 5186 8579 6968 -833 58 -320 C ATOM 959 N3 DA C 8 21.733 18.787 -11.221 1.00 54.69 N ANISOU 959 N3 DA C 8 5199 8472 7110 -934 -33 -300 N ATOM 960 C4 DA C 8 22.080 18.753 -12.519 1.00 51.73 C ANISOU 960 C4 DA C 8 4906 8001 6747 -1065 73 -163 C ATOM 961 P DG C 9 21.264 25.217 -12.619 1.00 85.35 P ANISOU 961 P DG C 9 8675 11739 12015 -1282 -628 -350 P ATOM 962 OP1 DG C 9 20.299 26.273 -12.243 1.00 84.80 O ANISOU 962 OP1 DG C 9 8549 11609 12061 -1277 -813 -441 O ATOM 963 OP2 DG C 9 22.250 25.456 -13.695 1.00 86.08 O ANISOU 963 OP2 DG C 9 8742 11728 12237 -1395 -524 -194 O ATOM 964 O5' DG C 9 22.051 24.792 -11.297 1.00 70.27 O ANISOU 964 O5' DG C 9 6648 9950 10100 -1125 -663 -519 O ATOM 965 C5' DG C 9 21.317 24.428 -10.136 1.00 65.05 C ANISOU 965 C5' DG C 9 5989 9426 9301 -983 -745 -666 C ATOM 966 C4' DG C 9 22.205 23.631 -9.207 1.00 60.82 C ANISOU 966 C4' DG C 9 5386 9029 8692 -849 -697 -757 C ATOM 967 O4' DG C 9 22.543 22.386 -9.859 1.00 59.43 O ANISOU 967 O4' DG C 9 5347 8900 8332 -890 -490 -613 O ATOM 968 C3' DG C 9 23.535 24.308 -8.891 1.00 58.96 C ANISOU 968 C3' DG C 9 4964 8738 8700 -831 -757 -839 C ATOM 969 O3' DG C 9 23.546 24.806 -7.556 1.00 54.25 O ANISOU 969 O3' DG C 9 4212 8221 8181 -677 -932 -1059 O ATOM 970 C2' DG C 9 24.601 23.229 -9.102 1.00 59.60 C ANISOU 970 C2' DG C 9 5082 8883 8680 -825 -574 -757 C ATOM 971 C1' DG C 9 23.792 21.963 -9.365 1.00 56.30 C ANISOU 971 C1' DG C 9 4858 8567 7966 -819 -434 -660 C ATOM 972 N9 DG C 9 24.381 21.055 -10.344 1.00 55.87 N ANISOU 972 N9 DG C 9 4918 8499 7810 -904 -233 -495 N ATOM 973 C8 DG C 9 24.485 21.221 -11.704 1.00 56.41 C ANISOU 973 C8 DG C 9 5070 8449 7914 -1054 -142 -329 C ATOM 974 N7 DG C 9 25.058 20.215 -12.306 1.00 55.82 N ANISOU 974 N7 DG C 9 5086 8409 7712 -1082 35 -219 N ATOM 975 C5 DG C 9 25.354 19.325 -11.276 1.00 56.26 C ANISOU 975 C5 DG C 9 5116 8606 7653 -949 65 -313 C ATOM 976 C6 DG C 9 25.983 18.055 -11.302 1.00 52.45 C ANISOU 976 C6 DG C 9 4694 8213 7021 -911 228 -264 C ATOM 977 O6 DG C 9 26.425 17.431 -12.279 1.00 49.76 O ANISOU 977 O6 DG C 9 4449 7847 6612 -986 380 -133 O ATOM 978 N1 DG C 9 26.079 17.503 -10.028 1.00 52.14 N ANISOU 978 N1 DG C 9 4588 8315 6910 -759 201 -384 N ATOM 979 C2 DG C 9 25.627 18.100 -8.874 1.00 57.60 C ANISOU 979 C2 DG C 9 5167 9066 7652 -648 37 -537 C ATOM 980 N2 DG C 9 25.802 17.424 -7.731 1.00 61.10 N ANISOU 980 N2 DG C 9 5550 9668 7999 -493 41 -628 N ATOM 981 N3 DG C 9 25.042 19.286 -8.835 1.00 58.73 N ANISOU 981 N3 DG C 9 5256 9128 7932 -678 -122 -598 N ATOM 982 C4 DG C 9 24.939 19.833 -10.067 1.00 57.13 C ANISOU 982 C4 DG C 9 5118 8775 7814 -835 -96 -477 C ATOM 983 P DT C 10 24.790 25.677 -7.034 1.00 79.48 P ANISOU 983 P DT C 10 7183 11353 11663 -635 -1049 -1195 P ATOM 984 OP1 DT C 10 24.280 26.685 -6.084 1.00 80.10 O ANISOU 984 OP1 DT C 10 7122 11436 11875 -532 -1282 -1405 O ATOM 985 OP2 DT C 10 25.573 26.103 -8.213 1.00 80.17 O ANISOU 985 OP2 DT C 10 7259 11263 11940 -800 -970 -1037 O ATOM 986 O5' DT C 10 25.686 24.618 -6.245 1.00 74.05 O ANISOU 986 O5' DT C 10 6465 10836 10835 -502 -955 -1254 O ATOM 987 C5' DT C 10 25.110 23.474 -5.632 1.00 71.70 C ANISOU 987 C5' DT C 10 6266 10731 10246 -386 -879 -1262 C ATOM 988 C4' DT C 10 26.224 22.605 -5.080 1.00 67.78 C ANISOU 988 C4' DT C 10 5717 10358 9678 -289 -779 -1290 C ATOM 989 O4' DT C 10 26.561 21.561 -6.028 1.00 65.00 O ANISOU 989 O4' DT C 10 5515 9990 9191 -392 -556 -1092 O ATOM 990 C3' DT C 10 27.510 23.372 -4.799 1.00 71.26 C ANISOU 990 C3' DT C 10 5967 10727 10381 -274 -865 -1397 C ATOM 991 O3' DT C 10 27.954 23.084 -3.484 1.00 74.05 O ANISOU 991 O3' DT C 10 6197 11258 10681 -78 -928 -1574 O ATOM 992 C2' DT C 10 28.494 22.884 -5.866 1.00 70.47 C ANISOU 992 C2' DT C 10 5930 10536 10310 -411 -677 -1212 C ATOM 993 C1' DT C 10 27.963 21.492 -6.191 1.00 67.32 C ANISOU 993 C1' DT C 10 5727 10248 9604 -414 -488 -1074 C ATOM 994 N1 DT C 10 28.221 21.039 -7.588 1.00 62.56 N ANISOU 994 N1 DT C 10 5264 9541 8966 -580 -308 -856 N ATOM 995 C2 DT C 10 28.671 19.755 -7.806 1.00 57.23 C ANISOU 995 C2 DT C 10 4687 8952 8106 -570 -119 -758 C ATOM 996 O2 DT C 10 28.884 18.958 -6.910 1.00 58.20 O ANISOU 996 O2 DT C 10 4785 9228 8099 -438 -86 -829 O ATOM 997 N3 DT C 10 28.860 19.438 -9.124 1.00 51.66 N ANISOU 997 N3 DT C 10 4104 8153 7373 -715 29 -572 N ATOM 998 C4 DT C 10 28.657 20.255 -10.219 1.00 51.80 C ANISOU 998 C4 DT C 10 4152 8012 7518 -861 14 -465 C ATOM 999 O4 DT C 10 28.865 19.874 -11.366 1.00 53.25 O ANISOU 999 O4 DT C 10 4443 8142 7649 -968 157 -298 O ATOM 1000 C5 DT C 10 28.184 21.583 -9.918 1.00 53.97 C ANISOU 1000 C5 DT C 10 4316 8197 7992 -869 -182 -562 C ATOM 1001 C7 DT C 10 27.925 22.563 -11.026 1.00 49.70 C ANISOU 1001 C7 DT C 10 3786 7485 7614 -1019 -211 -444 C ATOM 1002 C6 DT C 10 27.990 21.908 -8.635 1.00 57.77 C ANISOU 1002 C6 DT C 10 4681 8760 8510 -732 -335 -757 C ATOM 1003 P DG C 11 29.090 23.989 -2.800 1.00 92.67 P ANISOU 1003 P DG C 11 8321 13579 13312 -4 -1084 -1764 P ATOM 1004 OP1 DG C 11 28.762 24.119 -1.364 1.00 94.41 O ANISOU 1004 OP1 DG C 11 8422 13984 13464 218 -1242 -1995 O ATOM 1005 OP2 DG C 11 29.275 25.197 -3.632 1.00 93.61 O ANISOU 1005 OP2 DG C 11 8378 13455 13733 -160 -1171 -1730 O ATOM 1006 O5' DG C 11 30.413 23.110 -2.960 1.00 73.61 O ANISOU 1006 O5' DG C 11 5904 11202 10862 -13 -910 -1681 O ATOM 1007 C5' DG C 11 30.421 21.756 -2.527 1.00 70.42 C ANISOU 1007 C5' DG C 11 5587 10994 10177 86 -760 -1635 C ATOM 1008 C4' DG C 11 31.674 21.055 -3.016 1.00 68.77 C ANISOU 1008 C4' DG C 11 5392 10762 9973 25 -585 -1520 C ATOM 1009 O4' DG C 11 31.521 20.657 -4.405 1.00 64.79 O ANISOU 1009 O4' DG C 11 5062 10134 9421 -161 -417 -1288 O ATOM 1010 C3' DG C 11 32.940 21.903 -2.976 1.00 72.63 C ANISOU 1010 C3' DG C 11 5702 11137 10756 4 -670 -1602 C ATOM 1011 O3' DG C 11 34.031 21.045 -2.747 1.00 78.59 O ANISOU 1011 O3' DG C 11 6434 11983 11443 54 -540 -1576 O ATOM 1012 C2' DG C 11 33.001 22.439 -4.400 1.00 69.90 C ANISOU 1012 C2' DG C 11 5425 10565 10571 -213 -612 -1419 C ATOM 1013 C1' DG C 11 32.636 21.150 -5.119 1.00 64.66 C ANISOU 1013 C1' DG C 11 4977 9964 9626 -275 -385 -1221 C ATOM 1014 N9 DG C 11 32.275 21.306 -6.521 1.00 59.51 N ANISOU 1014 N9 DG C 11 4457 9157 8996 -461 -294 -1022 N ATOM 1015 C8 DG C 11 31.683 22.383 -7.132 1.00 60.54 C ANISOU 1015 C8 DG C 11 4578 9131 9294 -567 -397 -992 C ATOM 1016 N7 DG C 11 31.486 22.205 -8.410 1.00 61.55 N ANISOU 1016 N7 DG C 11 4842 9165 9380 -716 -266 -788 N ATOM 1017 C5 DG C 11 31.981 20.929 -8.656 1.00 58.05 C ANISOU 1017 C5 DG C 11 4505 8818 8733 -706 -70 -688 C ATOM 1018 C6 DG C 11 32.049 20.186 -9.855 1.00 54.68 C ANISOU 1018 C6 DG C 11 4238 8363 8173 -816 124 -484 C ATOM 1019 O6 DG C 11 31.672 20.515 -10.986 1.00 55.56 O ANISOU 1019 O6 DG C 11 4433 8367 8310 -945 167 -339 O ATOM 1020 N1 DG C 11 32.630 18.937 -9.655 1.00 53.20 N ANISOU 1020 N1 DG C 11 4108 8299 7807 -756 276 -457 N ATOM 1021 C2 DG C 11 33.091 18.467 -8.451 1.00 53.85 C ANISOU 1021 C2 DG C 11 4102 8516 7842 -609 251 -596 C ATOM 1022 N2 DG C 11 33.624 17.237 -8.454 1.00 55.61 N ANISOU 1022 N2 DG C 11 4394 8839 7894 -573 418 -536 N ATOM 1023 N3 DG C 11 33.033 19.149 -7.320 1.00 54.58 N ANISOU 1023 N3 DG C 11 4044 8650 8043 -498 73 -785 N ATOM 1024 C4 DG C 11 32.469 20.366 -7.501 1.00 57.33 C ANISOU 1024 C4 DG C 11 4337 8875 8569 -555 -83 -825 C ATOM 1025 P DA C 12 35.215 21.481 -1.755 1.00 83.46 P ANISOU 1025 P DA C 12 6826 12648 12237 184 -659 -1773 P ATOM 1026 OP1 DA C 12 34.746 21.276 -0.367 1.00 87.69 O ANISOU 1026 OP1 DA C 12 7288 13406 12623 406 -769 -1968 O ATOM 1027 OP2 DA C 12 35.703 22.812 -2.181 1.00 81.91 O ANISOU 1027 OP2 DA C 12 6494 12232 12394 83 -799 -1815 O ATOM 1028 O5' DA C 12 36.354 20.413 -2.061 1.00 74.57 O ANISOU 1028 O5' DA C 12 5744 11567 11024 159 -446 -1642 O ATOM 1029 C5' DA C 12 35.979 19.056 -2.252 1.00 71.64 C ANISOU 1029 C5' DA C 12 5546 11321 10353 167 -248 -1502 C ATOM 1030 C4' DA C 12 36.992 18.362 -3.144 1.00 68.03 C ANISOU 1030 C4' DA C 12 5159 10801 9891 54 -44 -1322 C ATOM 1031 O4' DA C 12 36.549 18.417 -4.526 1.00 65.63 O ANISOU 1031 O4' DA C 12 5007 10341 9590 -133 53 -1126 O ATOM 1032 C3' DA C 12 38.389 18.972 -3.100 1.00 62.81 C ANISOU 1032 C3' DA C 12 4330 10050 9486 38 -89 -1375 C ATOM 1033 O3' DA C 12 39.356 17.923 -3.061 1.00 67.51 O ANISOU 1033 O3' DA C 12 4946 10735 9970 67 83 -1303 O ATOM 1034 C2' DA C 12 38.455 19.798 -4.382 1.00 57.83 C ANISOU 1034 C2' DA C 12 3726 9184 9064 -158 -85 -1234 C ATOM 1035 C1' DA C 12 37.535 19.032 -5.330 1.00 59.60 C ANISOU 1035 C1' DA C 12 4179 9408 9057 -257 74 -1044 C ATOM 1036 N9 DA C 12 36.851 19.883 -6.302 1.00 55.71 N ANISOU 1036 N9 DA C 12 3738 8746 8684 -401 26 -951 N ATOM 1037 C8 DA C 12 36.338 21.127 -6.080 1.00 55.58 C ANISOU 1037 C8 DA C 12 3618 8631 8869 -408 -175 -1060 C ATOM 1038 N7 DA C 12 35.775 21.662 -7.135 1.00 56.26 N ANISOU 1038 N7 DA C 12 3780 8572 9024 -552 -166 -925 N ATOM 1039 C5 DA C 12 35.926 20.703 -8.120 1.00 54.36 C ANISOU 1039 C5 DA C 12 3705 8344 8607 -640 53 -721 C ATOM 1040 C6 DA C 12 35.536 20.664 -9.473 1.00 54.83 C ANISOU 1040 C6 DA C 12 3904 8305 8622 -788 167 -514 C ATOM 1041 N6 DA C 12 34.890 21.660 -10.084 1.00 53.74 N ANISOU 1041 N6 DA C 12 3760 8031 8627 -884 77 -465 N ATOM 1042 N1 DA C 12 35.838 19.558 -10.179 1.00 55.04 N ANISOU 1042 N1 DA C 12 4073 8386 8454 -826 375 -363 N ATOM 1043 C2 DA C 12 36.486 18.566 -9.563 1.00 55.75 C ANISOU 1043 C2 DA C 12 4163 8607 8412 -731 464 -408 C ATOM 1044 N3 DA C 12 36.901 18.488 -8.300 1.00 56.70 N ANISOU 1044 N3 DA C 12 4160 8829 8555 -593 381 -582 N ATOM 1045 C4 DA C 12 36.585 19.599 -7.623 1.00 55.13 C ANISOU 1045 C4 DA C 12 3822 8584 8541 -550 171 -737 C ATOM 1046 P DC C 13 40.926 18.265 -3.052 1.00 81.25 P ANISOU 1046 P DC C 13 6530 12402 11937 53 84 -1326 P ATOM 1047 OP1 DC C 13 41.629 17.147 -2.390 1.00 91.38 O ANISOU 1047 OP1 DC C 13 7807 13864 13050 171 203 -1342 O ATOM 1048 OP2 DC C 13 41.097 19.638 -2.529 1.00 77.19 O ANISOU 1048 OP2 DC C 13 5818 11795 11715 88 -155 -1509 O ATOM 1049 O5' DC C 13 41.309 18.290 -4.606 1.00 59.12 O ANISOU 1049 O5' DC C 13 3832 9415 9216 -154 235 -1083 O ATOM 1050 C5' DC C 13 41.048 17.158 -5.428 1.00 55.95 C ANISOU 1050 C5' DC C 13 3632 9052 8574 -224 451 -892 C ATOM 1051 C4' DC C 13 41.339 17.479 -6.884 1.00 56.11 C ANISOU 1051 C4' DC C 13 3720 8895 8704 -406 550 -686 C ATOM 1052 O4' DC C 13 40.352 18.401 -7.405 1.00 58.42 O ANISOU 1052 O4' DC C 13 4040 9066 9089 -492 442 -665 O ATOM 1053 C3' DC C 13 42.689 18.139 -7.137 1.00 57.04 C ANISOU 1053 C3' DC C 13 3681 8894 9097 -456 537 -657 C ATOM 1054 O3' DC C 13 43.459 17.301 -7.989 1.00 59.63 O ANISOU 1054 O3' DC C 13 4101 9223 9332 -524 752 -471 O ATOM 1055 C2' DC C 13 42.350 19.481 -7.794 1.00 57.05 C ANISOU 1055 C2' DC C 13 3619 8702 9357 -570 412 -616 C ATOM 1056 C1' DC C 13 40.978 19.194 -8.388 1.00 55.33 C ANISOU 1056 C1' DC C 13 3592 8497 8932 -625 455 -534 C ATOM 1057 N1 DC C 13 40.122 20.391 -8.628 1.00 53.51 N ANISOU 1057 N1 DC C 13 3322 8136 8872 -688 293 -559 N ATOM 1058 C2 DC C 13 39.387 20.489 -9.814 1.00 51.31 C ANISOU 1058 C2 DC C 13 3183 7776 8535 -815 367 -382 C ATOM 1059 O2 DC C 13 39.457 19.584 -10.649 1.00 50.20 O ANISOU 1059 O2 DC C 13 3197 7675 8202 -869 559 -218 O ATOM 1060 N3 DC C 13 38.608 21.575 -10.019 1.00 58.31 N ANISOU 1060 N3 DC C 13 4031 8546 9580 -871 222 -401 N ATOM 1061 C4 DC C 13 38.543 22.537 -9.098 1.00 62.44 C ANISOU 1061 C4 DC C 13 4381 9026 10316 -805 8 -594 C ATOM 1062 N4 DC C 13 37.755 23.589 -9.349 1.00 60.03 N ANISOU 1062 N4 DC C 13 4041 8600 10169 -865 -130 -605 N ATOM 1063 C5 DC C 13 39.286 22.457 -7.881 1.00 60.29 C ANISOU 1063 C5 DC C 13 3963 8840 10104 -668 -78 -789 C ATOM 1064 C6 DC C 13 40.052 21.377 -7.690 1.00 56.70 C ANISOU 1064 C6 DC C 13 3550 8506 9485 -614 72 -760 C ATOM 1065 P DT C 14 44.453 16.208 -7.359 1.00 57.53 P ANISOU 1065 P DT C 14 3817 9103 8939 -423 873 -502 P ATOM 1066 OP1 DT C 14 43.633 15.105 -6.820 1.00 65.03 O ANISOU 1066 OP1 DT C 14 4896 10224 9589 -330 934 -546 O ATOM 1067 OP2 DT C 14 45.399 16.909 -6.470 1.00 49.46 O ANISOU 1067 OP2 DT C 14 2574 8065 8154 -347 736 -655 O ATOM 1068 O5' DT C 14 45.275 15.678 -8.622 1.00 56.37 O ANISOU 1068 O5' DT C 14 3757 8894 8766 -538 1085 -270 O ATOM 1069 C5' DT C 14 44.610 15.013 -9.683 1.00 55.19 C ANISOU 1069 C5' DT C 14 3811 8746 8414 -620 1233 -107 C ATOM 1070 C4' DT C 14 45.508 14.971 -10.902 1.00 56.56 C ANISOU 1070 C4' DT C 14 4007 8833 8649 -727 1383 99 C ATOM 1071 O4' DT C 14 45.768 16.331 -11.329 1.00 58.88 O ANISOU 1071 O4' DT C 14 4167 8962 9241 -809 1273 145 O ATOM 1072 C3' DT C 14 46.881 14.347 -10.681 1.00 61.75 C ANISOU 1072 C3' DT C 14 4601 9545 9316 -684 1497 122 C ATOM 1073 O3' DT C 14 47.344 13.760 -11.889 1.00 71.92 O ANISOU 1073 O3' DT C 14 6000 10818 10510 -763 1692 327 O ATOM 1074 C2' DT C 14 47.735 15.555 -10.320 1.00 58.82 C ANISOU 1074 C2' DT C 14 4005 9060 9282 -691 1358 66 C ATOM 1075 C1' DT C 14 47.160 16.584 -11.282 1.00 58.98 C ANISOU 1075 C1' DT C 14 4031 8928 9452 -810 1299 180 C ATOM 1076 N1 DT C 14 47.353 17.998 -10.857 1.00 60.99 N ANISOU 1076 N1 DT C 14 4078 9047 10051 -821 1095 88 N ATOM 1077 C2 DT C 14 48.167 18.816 -11.608 1.00 59.91 C ANISOU 1077 C2 DT C 14 3821 8759 10185 -912 1104 235 C ATOM 1078 O2 DT C 14 48.751 18.442 -12.609 1.00 61.39 O ANISOU 1078 O2 DT C 14 4067 8932 10328 -978 1277 442 O ATOM 1079 N3 DT C 14 48.275 20.099 -11.138 1.00 58.23 N ANISOU 1079 N3 DT C 14 3406 8412 10306 -916 900 131 N ATOM 1080 C4 DT C 14 47.663 20.633 -10.021 1.00 52.65 C ANISOU 1080 C4 DT C 14 2615 7718 9674 -833 688 -113 C ATOM 1081 O4 DT C 14 47.826 21.800 -9.679 1.00 53.93 O ANISOU 1081 O4 DT C 14 2587 7747 10156 -839 504 -203 O ATOM 1082 C5 DT C 14 46.829 19.725 -9.282 1.00 51.13 C ANISOU 1082 C5 DT C 14 2559 7704 9164 -733 697 -251 C ATOM 1083 C7 DT C 14 46.123 20.203 -8.051 1.00 51.06 C ANISOU 1083 C7 DT C 14 2467 7744 9191 -622 480 -511 C ATOM 1084 C6 DT C 14 46.711 18.468 -9.728 1.00 64.58 C ANISOU 1084 C6 DT C 14 4455 9529 10555 -735 898 -139 C TER 1085 DT C 14 HETATM 1086 C ACT A 201 -1.354 30.584 12.363 1.00 66.36 C HETATM 1087 O ACT A 201 -0.841 29.688 11.659 1.00 66.18 O HETATM 1088 OXT ACT A 201 -1.418 31.723 11.852 1.00 68.80 O HETATM 1089 CH3 ACT A 201 -1.858 30.306 13.745 1.00 63.37 C HETATM 1090 C1 EDO A 202 12.053 -0.630 -8.113 1.00 58.26 C HETATM 1091 O1 EDO A 202 11.936 -1.925 -8.713 1.00 59.27 O HETATM 1092 C2 EDO A 202 12.521 0.377 -9.156 1.00 57.51 C HETATM 1093 O2 EDO A 202 12.901 1.614 -8.536 1.00 55.25 O HETATM 1094 O HOH A 301 13.260 9.489 -7.706 1.00 42.59 O HETATM 1095 O HOH A 302 6.366 4.443 6.655 1.00 40.62 O HETATM 1096 O HOH A 303 4.942 1.847 -3.745 1.00 41.43 O HETATM 1097 O HOH A 304 7.162 6.716 -8.243 1.00 25.60 O HETATM 1098 O HOH A 305 7.027 15.187 -5.852 1.00 45.34 O HETATM 1099 O HOH A 306 9.363 -0.981 -1.613 1.00 30.70 O HETATM 1100 O HOH A 307 5.657 1.768 5.637 1.00 35.91 O HETATM 1101 O HOH A 308 1.445 18.493 11.230 1.00 42.44 O HETATM 1102 O HOH A 309 5.866 1.702 2.975 1.00 37.19 O HETATM 1103 O HOH A 310 -4.953 23.214 18.258 1.00 41.22 O HETATM 1104 O HOH A 311 8.759 3.314 7.195 1.00 47.47 O HETATM 1105 O HOH A 312 9.122 23.621 4.596 1.00 60.25 O HETATM 1106 O HOH A 313 9.629 -1.982 -3.938 1.00 49.57 O HETATM 1107 O HOH A 314 5.371 12.244 14.707 1.00 39.74 O HETATM 1108 O HOH A 315 -2.365 7.947 7.672 1.00 49.04 O HETATM 1109 O HOH A 316 6.490 -0.002 1.306 1.00 31.73 O HETATM 1110 O HOH A 317 10.964 24.429 -1.126 1.00 51.49 O HETATM 1111 O HOH A 318 0.917 15.919 9.691 1.00 61.17 O HETATM 1112 O HOH A 319 0.099 7.743 5.053 1.00 54.56 O HETATM 1113 O HOH A 320 2.913 8.622 -9.362 1.00 50.81 O HETATM 1114 O HOH A 321 20.749 6.108 -4.425 1.00 49.60 O HETATM 1115 O HOH A 322 -5.385 20.361 11.164 1.00 41.08 O HETATM 1116 O HOH A 323 12.342 -2.201 -5.523 1.00 57.04 O HETATM 1117 O HOH A 324 -11.631 10.255 20.127 1.00 42.94 O HETATM 1118 O HOH A 325 14.770 9.764 -3.488 1.00 41.71 O HETATM 1119 O HOH A 326 1.894 5.166 -3.659 1.00 48.45 O HETATM 1120 O HOH A 327 3.228 26.320 0.805 1.00 55.00 O HETATM 1121 O HOH A 328 -8.840 19.845 13.830 1.00 46.77 O HETATM 1122 O HOH A 329 -1.552 15.999 2.850 1.00 47.82 O HETATM 1123 O HOH A 330 -14.387 22.085 19.157 1.00 51.99 O HETATM 1124 O HOH A 331 1.818 6.868 12.230 1.00 48.11 O HETATM 1125 O HOH A 332 21.787 10.846 -18.955 1.00 54.11 O HETATM 1126 O HOH B 101 2.742 0.000 -27.862 0.50 41.85 O HETATM 1127 O HOH B 102 12.165 22.428 -9.135 1.00 45.85 O HETATM 1128 O HOH B 103 9.255 15.784 -8.064 1.00 37.78 O HETATM 1129 O HOH B 104 2.721 2.350 -29.183 1.00 40.69 O HETATM 1130 O HOH B 105 4.487 0.603 -25.924 1.00 41.36 O HETATM 1131 O HOH B 106 29.529 16.047 -15.265 1.00 47.00 O HETATM 1132 O HOH B 107 3.581 9.849 -15.578 1.00 42.21 O HETATM 1133 O HOH B 108 18.487 18.725 -8.719 1.00 39.96 O HETATM 1134 O HOH B 109 16.020 14.188 -1.556 1.00 46.32 O HETATM 1135 O HOH B 110 16.525 20.006 -1.950 1.00 44.05 O HETATM 1136 O HOH B 111 9.103 21.595 -6.029 1.00 53.51 O HETATM 1137 O HOH B 112 3.429 10.059 -18.267 1.00 56.76 O HETATM 1138 O HOH B 113 8.352 -0.277 -25.566 1.00 51.78 O HETATM 1139 O HOH B 114 22.202 18.159 -6.226 1.00 53.05 O HETATM 1140 O HOH B 115 9.756 23.985 -5.738 1.00 54.31 O HETATM 1141 O HOH B 116 12.048 11.590 -19.724 1.00 58.28 O HETATM 1142 O HOH B 117 12.859 16.514 -15.281 1.00 51.28 O HETATM 1143 O HOH B 118 16.545 19.825 -10.417 1.00 52.66 O HETATM 1144 O HOH B 119 8.807 2.778 -19.387 1.00 39.35 O HETATM 1145 O HOH C 101 5.399 10.750 -12.794 1.00 64.16 O HETATM 1146 O HOH C 102 10.836 8.049 -9.278 1.00 35.78 O HETATM 1147 O HOH C 103 8.595 2.329 -9.080 1.00 33.11 O HETATM 1148 O HOH C 104 0.067 8.796 -11.993 1.00 38.22 O HETATM 1149 O HOH C 105 3.150 5.530 -6.390 1.00 39.08 O HETATM 1150 O HOH C 106 10.859 3.782 -8.579 1.00 37.45 O HETATM 1151 O HOH C 107 7.097 4.114 -7.743 1.00 27.34 O HETATM 1152 O HOH C 108 3.680 8.550 -11.913 1.00 33.02 O HETATM 1153 O HOH C 109 47.574 23.897 -8.143 1.00 47.27 O HETATM 1154 O HOH C 110 17.628 1.476 -19.794 1.00 45.41 O HETATM 1155 O HOH C 111 20.430 9.057 -15.206 1.00 49.97 O HETATM 1156 O HOH C 112 22.713 15.179 -19.781 1.00 57.01 O HETATM 1157 O HOH C 113 13.756 -2.576 -13.777 1.00 54.86 O HETATM 1158 O HOH C 114 1.795 9.120 -13.923 1.00 36.84 O HETATM 1159 O HOH C 115 14.947 11.723 -18.784 1.00 57.32 O HETATM 1160 O HOH C 116 34.760 24.633 -7.593 1.00 58.14 O HETATM 1161 O HOH C 117 26.033 20.683 -15.145 1.00 61.00 O HETATM 1162 O HOH C 118 26.846 17.988 -14.947 1.00 52.95 O HETATM 1163 O HOH C 119 0.652 -0.018 -12.661 1.00 44.53 O HETATM 1164 O HOH C 120 20.182 4.277 -20.727 1.00 48.35 O CONECT 660 688 CONECT 671 672 677 680 CONECT 672 671 673 678 CONECT 673 672 674 CONECT 674 673 675 679 CONECT 675 674 676 677 CONECT 676 675 CONECT 677 671 675 CONECT 678 672 CONECT 679 674 CONECT 680 671 681 684 CONECT 681 680 682 CONECT 682 681 683 685 CONECT 683 682 684 686 CONECT 684 680 683 CONECT 685 682 691 CONECT 686 683 687 CONECT 687 686 688 CONECT 688 660 687 689 690 CONECT 689 688 CONECT 690 688 CONECT 691 685 CONECT 844 855 CONECT 855 844 856 857 858 CONECT 856 855 CONECT 857 855 CONECT 858 855 859 CONECT 859 858 860 CONECT 860 859 861 862 CONECT 861 860 865 CONECT 862 860 863 864 CONECT 863 862 876 CONECT 864 862 865 CONECT 865 861 864 866 CONECT 866 865 867 875 CONECT 867 866 868 869 CONECT 868 867 CONECT 869 867 870 CONECT 870 869 871 872 CONECT 871 870 CONECT 872 870 873 875 CONECT 873 872 874 CONECT 874 873 CONECT 875 866 872 CONECT 876 863 CONECT 1086 1087 1088 1089 CONECT 1087 1086 CONECT 1088 1086 CONECT 1089 1086 CONECT 1090 1091 1092 CONECT 1091 1090 CONECT 1092 1090 1093 CONECT 1093 1092 MASTER 311 0 4 2 3 0 3 6 1161 3 53 10 END
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Related entries of code: 3vyb
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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Complexes with the same small molecule ligand
PDB Code
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Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
3vyb
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
methyl CpG binding domain of MBD4
Ligand Name
14-mer DNA 5mCG/hmCG sequence
EC.Number
E.C.3.2.2.-
Resolution
2.4(Å)
Affinity (Kd/Ki/IC50)
Kd=162nM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) J.Biol.Chem. Vol. 288: pp. 6351-6362
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):
Q9Z2D7
Entrez Gene ID
NCBI Entrez Gene ID:
17193
ASD
Information of known allosteric effects of PDB entries
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