USER MOD reduce.3.24.130724 H: found=0, std=0, add=271, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 277 hydrogens (6 hets) HEADER DNA 30-OCT-06 2NPW TITLE SOLUTION STRUCTURES OF A DNA DODECAMER DUPLEX WITH A CISPLATIN 1,2- TITLE 2 D(GG) INTRASTRAND CROSS-LINK COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'-D(*CP*CP*TP*CP*AP*GP*GP*CP*CP*TP*CP*C)-3'; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: 5'-D(*GP*GP*AP*GP*GP*CP*CP*TP*GP*AP*GP*G)-3'; COMPND 7 CHAIN: B; COMPND 8 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 MOL_ID: 2; SOURCE 4 SYNTHETIC: YES KEYWDS DEOXYRIBONUCLEIC ACID, CISPLATIN, DNA, DUPLEX, DODECAMER EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR Y.WU,D.BHATTACHARYYA,S.CHANEY,S.CAMPBELL REVDAT 4 13-JUL-11 2NPW 1 VERSN REVDAT 3 23-JUN-10 2NPW 1 FORMUL REVDAT 2 24-FEB-09 2NPW 1 VERSN REVDAT 1 12-JUN-07 2NPW 0 JRNL AUTH Y.WU,D.BHATTACHARYYA,C.L.KING,I.BASKERVILLE-ABRAHAM, JRNL AUTH 2 S.-H.HUH,G.BOYSEN,J.A.SWENBERG,B.TEMPLE,S.L.CAMPBELL, JRNL AUTH 3 S.G.CHANEY JRNL TITL SOLUTION STRUCTURES OF A DNA DODECAMER DUPLEX WITH AND JRNL TITL 2 WITHOUT A CISPLATIN 1,2-D(GG) INTRASTRAND CROSS-LINK: JRNL TITL 3 COMPARISON WITH THE SAME DNA DUPLEX CONTAINING AN JRNL TITL 4 OXALIPLATIN 1,2-D(GG) INTRASTRAND CROSS-LINK JRNL REF BIOCHEMISTRY V. 46 6477 2007 JRNL REFN ISSN 0006-2960 JRNL PMID 17497831 JRNL DOI 10.1021/BI062291F REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2NPW COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 17-NOV-06. REMARK 100 THE RCSB ID CODE IS RCSB040158. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : 100MM NACL, 5MM NAPI REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 1.8 MM DNA, 100 MM NACL, 5 MM REMARK 210 PHOSPHATE BUFFER, PH 7.0, 95% REMARK 210 H2O, 5% D2O; 1.8 MM DNA, 100 MM REMARK 210 NACL, 5 MM PHOSPHATE BUFFER, PH REMARK 210 7.0, 100% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 2D TOCSY; DQF-COSY; 2D REMARK 210 1H 31P HETCOR REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 800 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : CNS 1.1 REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 1 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D REMARK 210 HOMONUCLEAR TECHNIQUES REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. 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: DIMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 H21 DG A 7 O2 DC B 18 1.45 REMARK 500 O2 DC A 12 H21 DG B 13 1.52 REMARK 500 O2 DC A 2 H21 DG B 23 1.54 REMARK 500 O2 DC A 1 H21 DG B 24 1.56 REMARK 500 H21 DG A 6 O2 DC B 19 1.58 REMARK 500 O2 DC A 11 H21 DG B 14 1.60 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CPT A 77 PT1 REMARK 620 N RES CSSEQI ATOM REMARK 620 1 DG A 6 N7 REMARK 620 2 CPT A 77 N1 90.6 REMARK 620 3 CPT A 77 N2 179.4 88.8 REMARK 620 4 DG A 7 N7 90.1 179.2 90.4 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CPT A 77 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2NQ0 RELATED DB: PDB REMARK 900 RELATED ID: 2NQ1 RELATED DB: PDB REMARK 900 RELATED ID: 2NQ4 RELATED DB: PDB SEQRES 1 A 12 DC DC DT DC DA DG DG DC DC DT DC DC SEQRES 1 B 12 DG DG DA DG DG DC DC DT DG DA DG DG HET CPT A 77 9 HETNAM CPT CISPLATIN HETSYN CPT DIAMMINE(DICHLORO)PLATINUM FORMUL 3 CPT CL2 H6 N2 PT LINK N7 DG A 6 PT1 CPT A 77 1555 1555 2.01 LINK N7 DG A 7 PT1 CPT A 77 1555 1555 2.01 SITE *** AC1 3 DA A 5 DG A 6 DG A 7 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 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 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DC O5' : rot 180:sc= -0.358 USER MOD Single : A 3 DT C7 :methyl 150:sc= -0.0185 (180deg=-0.0185) USER MOD Single : A 10 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 12 DC O3' : rot 180:sc= 0 USER MOD Single : B 13 DG O5' : rot 180:sc=-0.00059 USER MOD Single : B 20 DT C7 :methyl 150:sc=-0.00245 (180deg=-0.00245) USER MOD Single : B 24 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -10.637 9.226 -10.159 1.00 2.68 O ATOM 2 C5' DC A 1 -11.125 8.377 -11.202 1.00 2.62 C ATOM 3 C4' DC A 1 -10.409 7.043 -11.187 1.00 2.42 C ATOM 4 O4' DC A 1 -9.347 7.105 -12.163 1.00 2.31 O ATOM 5 C3' DC A 1 -9.745 6.676 -9.857 1.00 2.36 C ATOM 6 O3' DC A 1 -10.491 5.647 -9.195 1.00 2.34 O ATOM 7 C2' DC A 1 -8.371 6.149 -10.249 1.00 2.14 C ATOM 8 C1' DC A 1 -8.274 6.282 -11.756 1.00 2.13 C ATOM 9 N1 DC A 1 -7.027 6.912 -12.202 1.00 2.04 N ATOM 10 C2 DC A 1 -6.323 6.367 -13.278 1.00 1.95 C ATOM 11 O2 DC A 1 -6.770 5.358 -13.842 1.00 1.95 O ATOM 12 N3 DC A 1 -5.170 6.955 -13.676 1.00 1.88 N ATOM 13 C4 DC A 1 -4.724 8.042 -13.043 1.00 1.90 C ATOM 14 N4 DC A 1 -3.586 8.591 -13.471 1.00 1.84 N ATOM 15 C5 DC A 1 -5.426 8.617 -11.944 1.00 1.98 C ATOM 16 C6 DC A 1 -6.562 8.021 -11.561 1.00 2.05 C ATOM 0 H5' DC A 1 -10.982 8.861 -12.168 1.00 2.62 H new ATOM 0 H5'' DC A 1 -12.197 8.221 -11.079 1.00 2.62 H new ATOM 0 H4' DC A 1 -11.173 6.292 -11.387 1.00 2.42 H new ATOM 0 H3' DC A 1 -9.692 7.524 -9.174 1.00 2.36 H new ATOM 0 H2' DC A 1 -7.582 6.719 -9.758 1.00 2.14 H new ATOM 0 H2'' DC A 1 -8.252 5.110 -9.943 1.00 2.14 H new ATOM 0 HO5' DC A 1 -11.111 10.083 -10.187 1.00 2.68 H new ATOM 0 H1' DC A 1 -8.303 5.283 -12.190 1.00 2.13 H new ATOM 0 H41 DC A 1 -3.216 9.422 -13.010 1.00 1.84 H new ATOM 0 H42 DC A 1 -3.086 8.179 -14.259 1.00 1.84 H new ATOM 0 H5 DC A 1 -5.056 9.498 -11.440 1.00 1.98 H new ATOM 0 H6 DC A 1 -7.120 8.426 -10.730 1.00 2.05 H new ATOM 29 P DC A 2 -9.863 4.899 -7.913 1.00 2.29 P ATOM 30 OP1 DC A 2 -10.978 4.487 -7.023 1.00 2.47 O ATOM 31 OP2 DC A 2 -8.774 5.755 -7.375 1.00 2.37 O ATOM 32 O5' DC A 2 -9.196 3.584 -8.518 1.00 2.00 O ATOM 33 C5' DC A 2 -9.885 2.793 -9.486 1.00 1.99 C ATOM 34 C4' DC A 2 -9.019 1.643 -9.944 1.00 1.79 C ATOM 35 O4' DC A 2 -7.911 2.180 -10.701 1.00 1.62 O ATOM 36 C3' DC A 2 -8.416 0.778 -8.835 1.00 1.74 C ATOM 37 O3' DC A 2 -8.533 -0.609 -9.178 1.00 1.75 O ATOM 38 C2' DC A 2 -6.957 1.199 -8.787 1.00 1.54 C ATOM 39 C1' DC A 2 -6.679 1.724 -10.179 1.00 1.44 C ATOM 40 N1 DC A 2 -5.752 2.855 -10.176 1.00 1.35 N ATOM 41 C2 DC A 2 -4.633 2.837 -11.008 1.00 1.21 C ATOM 42 O2 DC A 2 -4.454 1.861 -11.749 1.00 1.16 O ATOM 43 N3 DC A 2 -3.776 3.883 -10.981 1.00 1.14 N ATOM 44 C4 DC A 2 -4.010 4.913 -10.164 1.00 1.20 C ATOM 45 N4 DC A 2 -3.139 5.923 -10.170 1.00 1.14 N ATOM 46 C5 DC A 2 -5.150 4.951 -9.306 1.00 1.34 C ATOM 47 C6 DC A 2 -5.986 3.913 -9.352 1.00 1.42 C ATOM 0 H5' DC A 2 -10.160 3.411 -10.340 1.00 1.99 H new ATOM 0 H5'' DC A 2 -10.812 2.410 -9.058 1.00 1.99 H new ATOM 0 H4' DC A 2 -9.686 0.999 -10.517 1.00 1.79 H new ATOM 0 H3' DC A 2 -8.915 0.907 -7.875 1.00 1.74 H new ATOM 0 H2' DC A 2 -6.788 1.965 -8.031 1.00 1.54 H new ATOM 0 H2'' DC A 2 -6.308 0.359 -8.541 1.00 1.54 H new ATOM 0 H1' DC A 2 -6.230 0.925 -10.768 1.00 1.44 H new ATOM 0 H41 DC A 2 -3.286 6.727 -9.559 1.00 1.14 H new ATOM 0 H42 DC A 2 -2.326 5.892 -10.786 1.00 1.14 H new ATOM 0 H5 DC A 2 -5.328 5.787 -8.646 1.00 1.34 H new ATOM 0 H6 DC A 2 -6.865 3.912 -8.724 1.00 1.42 H new ATOM 59 P DT A 3 -7.678 -1.709 -8.373 1.00 1.69 P ATOM 60 OP1 DT A 3 -8.293 -3.040 -8.612 1.00 1.81 O ATOM 61 OP2 DT A 3 -7.507 -1.221 -6.981 1.00 1.76 O ATOM 62 O5' DT A 3 -6.252 -1.680 -9.086 1.00 1.42 O ATOM 63 C5' DT A 3 -6.125 -1.983 -10.476 1.00 1.34 C ATOM 64 C4' DT A 3 -4.847 -2.744 -10.738 1.00 1.18 C ATOM 65 O4' DT A 3 -3.786 -1.802 -11.019 1.00 1.04 O ATOM 66 C3' DT A 3 -4.342 -3.612 -9.584 1.00 1.23 C ATOM 67 O3' DT A 3 -3.769 -4.820 -10.115 1.00 1.19 O ATOM 68 C2' DT A 3 -3.309 -2.727 -8.911 1.00 1.14 C ATOM 69 C1' DT A 3 -2.740 -1.941 -10.073 1.00 0.99 C ATOM 70 N1 DT A 3 -2.285 -0.597 -9.715 1.00 0.92 N ATOM 71 C2 DT A 3 -1.100 -0.133 -10.230 1.00 0.78 C ATOM 72 O2 DT A 3 -0.393 -0.791 -10.973 1.00 0.72 O ATOM 73 N3 DT A 3 -0.770 1.135 -9.842 1.00 0.74 N ATOM 74 C4 DT A 3 -1.483 1.960 -9.003 1.00 0.83 C ATOM 75 O4 DT A 3 -1.055 3.082 -8.744 1.00 0.80 O ATOM 76 C5 DT A 3 -2.713 1.402 -8.485 1.00 1.00 C ATOM 77 C7 DT A 3 -3.450 2.156 -7.425 1.00 1.12 C ATOM 78 C6 DT A 3 -3.059 0.166 -8.877 1.00 1.03 C ATOM 0 H5' DT A 3 -6.131 -1.061 -11.057 1.00 1.34 H new ATOM 0 H5'' DT A 3 -6.980 -2.573 -10.805 1.00 1.34 H new ATOM 0 H4' DT A 3 -5.093 -3.408 -11.567 1.00 1.18 H new ATOM 0 H3' DT A 3 -5.113 -3.932 -8.884 1.00 1.23 H new ATOM 0 H2' DT A 3 -3.760 -2.075 -8.163 1.00 1.14 H new ATOM 0 H2'' DT A 3 -2.542 -3.313 -8.404 1.00 1.14 H new ATOM 0 H1' DT A 3 -1.869 -2.480 -10.447 1.00 0.99 H new ATOM 0 H3 DT A 3 0.101 1.511 -10.216 1.00 0.74 H new ATOM 0 H71 DT A 3 -4.518 1.953 -7.510 1.00 1.12 H new ATOM 0 H72 DT A 3 -3.098 1.841 -6.443 1.00 1.12 H new ATOM 0 H73 DT A 3 -3.272 3.224 -7.548 1.00 1.12 H new ATOM 0 H6 DT A 3 -3.989 -0.247 -8.516 1.00 1.03 H new ATOM 91 P DC A 4 -2.606 -5.589 -9.312 1.00 1.27 P ATOM 92 OP1 DC A 4 -2.516 -6.957 -9.883 1.00 1.36 O ATOM 93 OP2 DC A 4 -2.838 -5.420 -7.854 1.00 1.39 O ATOM 94 O5' DC A 4 -1.277 -4.803 -9.711 1.00 1.14 O ATOM 95 C5' DC A 4 -0.685 -4.964 -11.005 1.00 1.10 C ATOM 96 C4' DC A 4 0.817 -5.091 -10.883 1.00 1.07 C ATOM 97 O4' DC A 4 1.371 -3.797 -10.542 1.00 1.00 O ATOM 98 C3' DC A 4 1.303 -6.036 -9.788 1.00 1.16 C ATOM 99 O3' DC A 4 2.579 -6.587 -10.137 1.00 1.17 O ATOM 100 C2' DC A 4 1.416 -5.116 -8.586 1.00 1.13 C ATOM 101 C1' DC A 4 1.917 -3.824 -9.229 1.00 1.00 C ATOM 102 N1 DC A 4 1.518 -2.569 -8.562 1.00 0.93 N ATOM 103 C2 DC A 4 2.370 -1.460 -8.653 1.00 0.82 C ATOM 104 O2 DC A 4 3.452 -1.578 -9.248 1.00 0.79 O ATOM 105 N3 DC A 4 1.994 -0.290 -8.088 1.00 0.77 N ATOM 106 C4 DC A 4 0.828 -0.205 -7.446 1.00 0.84 C ATOM 107 N4 DC A 4 0.495 0.966 -6.906 1.00 0.81 N ATOM 108 C5 DC A 4 -0.050 -1.319 -7.325 1.00 0.97 C ATOM 109 C6 DC A 4 0.333 -2.471 -7.887 1.00 1.00 C ATOM 0 H5' DC A 4 -0.935 -4.110 -11.635 1.00 1.10 H new ATOM 0 H5'' DC A 4 -1.093 -5.850 -11.492 1.00 1.10 H new ATOM 0 H4' DC A 4 1.140 -5.486 -11.846 1.00 1.07 H new ATOM 0 H3' DC A 4 0.647 -6.889 -9.616 1.00 1.16 H new ATOM 0 H2' DC A 4 0.458 -4.979 -8.085 1.00 1.13 H new ATOM 0 H2'' DC A 4 2.113 -5.500 -7.841 1.00 1.13 H new ATOM 0 H1' DC A 4 3.005 -3.850 -9.173 1.00 1.00 H new ATOM 0 H41 DC A 4 -0.390 1.065 -6.408 1.00 0.81 H new ATOM 0 H42 DC A 4 1.125 1.764 -6.990 1.00 0.81 H new ATOM 0 H5 DC A 4 -0.990 -1.237 -6.799 1.00 0.97 H new ATOM 0 H6 DC A 4 -0.305 -3.339 -7.806 1.00 1.00 H new ATOM 121 P DA A 5 3.333 -7.570 -9.113 1.00 1.30 P ATOM 122 OP1 DA A 5 4.336 -8.339 -9.892 1.00 1.49 O ATOM 123 OP2 DA A 5 2.311 -8.294 -8.315 1.00 1.56 O ATOM 124 O5' DA A 5 4.112 -6.582 -8.135 1.00 1.03 O ATOM 125 C5' DA A 5 5.107 -5.687 -8.634 1.00 0.92 C ATOM 126 C4' DA A 5 5.776 -4.957 -7.492 1.00 0.75 C ATOM 127 O4' DA A 5 5.111 -3.698 -7.288 1.00 0.69 O ATOM 128 C3' DA A 5 5.747 -5.664 -6.134 1.00 0.74 C ATOM 129 O3' DA A 5 7.031 -6.254 -5.881 1.00 0.87 O ATOM 130 C2' DA A 5 5.442 -4.549 -5.135 1.00 0.70 C ATOM 131 C1' DA A 5 5.388 -3.280 -5.973 1.00 0.67 C ATOM 132 N9 DA A 5 4.327 -2.371 -5.565 1.00 0.63 N ATOM 133 C8 DA A 5 3.038 -2.736 -5.335 1.00 0.62 C ATOM 134 N7 DA A 5 2.258 -1.741 -4.982 1.00 0.59 N ATOM 135 C5 DA A 5 3.108 -0.643 -4.980 1.00 0.57 C ATOM 136 C6 DA A 5 2.905 0.718 -4.685 1.00 0.54 C ATOM 137 N6 DA A 5 1.733 1.231 -4.311 1.00 0.52 N ATOM 138 N1 DA A 5 3.969 1.545 -4.782 1.00 0.54 N ATOM 139 C2 DA A 5 5.151 1.028 -5.146 1.00 0.57 C ATOM 140 N3 DA A 5 5.467 -0.228 -5.435 1.00 0.59 N ATOM 141 C4 DA A 5 4.388 -1.021 -5.335 1.00 0.59 C ATOM 0 H5' DA A 5 4.651 -4.969 -9.316 1.00 0.92 H new ATOM 0 H5'' DA A 5 5.851 -6.242 -9.206 1.00 0.92 H new ATOM 0 H4' DA A 5 6.819 -4.879 -7.800 1.00 0.75 H new ATOM 0 H3' DA A 5 5.012 -6.467 -6.076 1.00 0.74 H new ATOM 0 H2' DA A 5 4.496 -4.725 -4.622 1.00 0.70 H new ATOM 0 H2'' DA A 5 6.213 -4.484 -4.368 1.00 0.70 H new ATOM 0 H1' DA A 5 6.331 -2.744 -5.864 1.00 0.67 H new ATOM 0 H8 DA A 5 2.687 -3.753 -5.434 1.00 0.62 H new ATOM 0 H61 DA A 5 1.653 2.228 -4.111 1.00 0.52 H new ATOM 0 H62 DA A 5 0.916 0.626 -4.224 1.00 0.52 H new ATOM 0 H2 DA A 5 5.964 1.736 -5.214 1.00 0.57 H new ATOM 153 P DG A 6 7.480 -6.595 -4.374 1.00 0.96 P ATOM 154 OP1 DG A 6 8.706 -7.431 -4.431 1.00 1.16 O ATOM 155 OP2 DG A 6 6.285 -7.094 -3.647 1.00 0.92 O ATOM 156 O5' DG A 6 7.871 -5.175 -3.762 1.00 0.92 O ATOM 157 C5' DG A 6 8.852 -4.346 -4.391 1.00 0.95 C ATOM 158 C4' DG A 6 9.106 -3.113 -3.556 1.00 0.89 C ATOM 159 O4' DG A 6 7.902 -2.305 -3.501 1.00 0.82 O ATOM 160 C3' DG A 6 9.490 -3.403 -2.099 1.00 0.85 C ATOM 161 O3' DG A 6 10.727 -2.761 -1.774 1.00 0.87 O ATOM 162 C2' DG A 6 8.353 -2.805 -1.283 1.00 0.77 C ATOM 163 C1' DG A 6 7.802 -1.747 -2.207 1.00 0.75 C ATOM 164 N9 DG A 6 6.409 -1.388 -1.960 1.00 0.69 N ATOM 165 C8 DG A 6 5.327 -2.230 -1.902 1.00 0.67 C ATOM 166 N7 DG A 6 4.205 -1.613 -1.655 1.00 0.62 N ATOM 167 C5 DG A 6 4.569 -0.278 -1.550 1.00 0.61 C ATOM 168 C6 DG A 6 3.781 0.866 -1.280 1.00 0.58 C ATOM 169 O6 DG A 6 2.561 0.933 -1.098 1.00 0.55 O ATOM 170 N1 DG A 6 4.553 2.019 -1.230 1.00 0.60 N ATOM 171 C2 DG A 6 5.912 2.067 -1.423 1.00 0.64 C ATOM 172 N2 DG A 6 6.480 3.274 -1.338 1.00 0.66 N ATOM 173 N3 DG A 6 6.658 1.009 -1.682 1.00 0.66 N ATOM 174 C4 DG A 6 5.927 -0.124 -1.726 1.00 0.65 C ATOM 0 H5' DG A 6 8.511 -4.057 -5.385 1.00 0.95 H new ATOM 0 H5'' DG A 6 9.780 -4.903 -4.522 1.00 0.95 H new ATOM 0 H4' DG A 6 9.943 -2.611 -4.042 1.00 0.89 H new ATOM 0 H3' DG A 6 9.627 -4.467 -1.907 1.00 0.85 H new ATOM 0 H2' DG A 6 7.601 -3.552 -1.029 1.00 0.77 H new ATOM 0 H2'' DG A 6 8.709 -2.378 -0.345 1.00 0.77 H new ATOM 0 H1' DG A 6 8.364 -0.825 -2.061 1.00 0.75 H new ATOM 0 H8 DG A 6 5.398 -3.298 -2.047 1.00 0.67 H new ATOM 0 H1 DG A 6 4.074 2.898 -1.035 1.00 0.60 H new ATOM 0 H21 DG A 6 7.486 3.375 -1.472 1.00 0.66 H new ATOM 0 H22 DG A 6 5.907 4.094 -1.139 1.00 0.66 H new ATOM 186 P DG A 7 11.311 -2.862 -0.278 1.00 0.82 P ATOM 187 OP1 DG A 7 12.513 -1.992 -0.212 1.00 0.85 O ATOM 188 OP2 DG A 7 11.427 -4.298 0.079 1.00 0.91 O ATOM 189 O5' DG A 7 10.171 -2.214 0.628 1.00 0.66 O ATOM 190 C5' DG A 7 10.137 -0.807 0.879 1.00 0.63 C ATOM 191 C4' DG A 7 9.394 -0.521 2.163 1.00 0.54 C ATOM 192 O4' DG A 7 8.027 -0.164 1.846 1.00 0.53 O ATOM 193 C3' DG A 7 9.312 -1.696 3.146 1.00 0.53 C ATOM 194 O3' DG A 7 9.880 -1.322 4.405 1.00 0.57 O ATOM 195 C2' DG A 7 7.821 -1.970 3.296 1.00 0.49 C ATOM 196 C1' DG A 7 7.186 -0.661 2.862 1.00 0.48 C ATOM 197 N9 DG A 7 5.827 -0.733 2.325 1.00 0.48 N ATOM 198 C8 DG A 7 5.287 -1.680 1.484 1.00 0.48 C ATOM 199 N7 DG A 7 4.037 -1.448 1.183 1.00 0.49 N ATOM 200 C5 DG A 7 3.734 -0.276 1.864 1.00 0.50 C ATOM 201 C6 DG A 7 2.529 0.472 1.920 1.00 0.52 C ATOM 202 O6 DG A 7 1.448 0.235 1.366 1.00 0.53 O ATOM 203 N1 DG A 7 2.663 1.600 2.723 1.00 0.53 N ATOM 204 C2 DG A 7 3.808 1.957 3.394 1.00 0.53 C ATOM 205 N2 DG A 7 3.749 3.072 4.125 1.00 0.56 N ATOM 206 N3 DG A 7 4.933 1.269 3.353 1.00 0.51 N ATOM 207 C4 DG A 7 4.827 0.175 2.574 1.00 0.49 C ATOM 0 H5' DG A 7 9.652 -0.294 0.048 1.00 0.63 H new ATOM 0 H5'' DG A 7 11.153 -0.418 0.944 1.00 0.63 H new ATOM 0 H4' DG A 7 9.962 0.275 2.644 1.00 0.54 H new ATOM 0 H3' DG A 7 9.858 -2.572 2.797 1.00 0.53 H new ATOM 0 H2' DG A 7 7.499 -2.802 2.670 1.00 0.49 H new ATOM 0 H2'' DG A 7 7.559 -2.224 4.323 1.00 0.49 H new ATOM 0 H1' DG A 7 7.090 -0.040 3.753 1.00 0.48 H new ATOM 0 H8 DG A 7 5.841 -2.529 1.111 1.00 0.48 H new ATOM 0 H1 DG A 7 1.850 2.208 2.821 1.00 0.53 H new ATOM 0 H21 DG A 7 4.569 3.385 4.644 1.00 0.56 H new ATOM 0 H22 DG A 7 2.884 3.611 4.164 1.00 0.56 H new ATOM 219 P DC A 8 10.220 -2.453 5.497 1.00 0.67 P ATOM 220 OP1 DC A 8 11.699 -2.573 5.563 1.00 0.80 O ATOM 221 OP2 DC A 8 9.399 -3.657 5.208 1.00 0.66 O ATOM 222 O5' DC A 8 9.709 -1.824 6.870 1.00 0.70 O ATOM 223 C5' DC A 8 10.382 -0.712 7.463 1.00 0.74 C ATOM 224 C4' DC A 8 9.397 0.174 8.190 1.00 0.72 C ATOM 225 O4' DC A 8 8.185 0.275 7.402 1.00 0.70 O ATOM 226 C3' DC A 8 8.972 -0.321 9.576 1.00 0.69 C ATOM 227 O3' DC A 8 9.030 0.762 10.513 1.00 0.74 O ATOM 228 C2' DC A 8 7.538 -0.794 9.382 1.00 0.59 C ATOM 229 C1' DC A 8 7.051 0.047 8.217 1.00 0.62 C ATOM 230 N1 DC A 8 6.027 -0.602 7.385 1.00 0.57 N ATOM 231 C2 DC A 8 4.775 0.006 7.239 1.00 0.55 C ATOM 232 O2 DC A 8 4.547 1.067 7.838 1.00 0.57 O ATOM 233 N3 DC A 8 3.846 -0.579 6.450 1.00 0.55 N ATOM 234 C4 DC A 8 4.129 -1.723 5.823 1.00 0.55 C ATOM 235 N4 DC A 8 3.185 -2.261 5.052 1.00 0.58 N ATOM 236 C5 DC A 8 5.392 -2.367 5.960 1.00 0.56 C ATOM 237 C6 DC A 8 6.300 -1.780 6.750 1.00 0.57 C ATOM 0 H5' DC A 8 10.897 -0.138 6.693 1.00 0.74 H new ATOM 0 H5'' DC A 8 11.143 -1.068 8.158 1.00 0.74 H new ATOM 0 H4' DC A 8 9.918 1.122 8.325 1.00 0.72 H new ATOM 0 H3' DC A 8 9.614 -1.111 9.965 1.00 0.69 H new ATOM 0 H2' DC A 8 7.492 -1.859 9.156 1.00 0.59 H new ATOM 0 H2'' DC A 8 6.936 -0.631 10.276 1.00 0.59 H new ATOM 0 H1' DC A 8 6.591 0.949 8.621 1.00 0.62 H new ATOM 0 H41 DC A 8 3.367 -3.135 4.558 1.00 0.58 H new ATOM 0 H42 DC A 8 2.281 -1.799 4.956 1.00 0.58 H new ATOM 0 H5 DC A 8 5.609 -3.292 5.447 1.00 0.56 H new ATOM 0 H6 DC A 8 7.265 -2.246 6.887 1.00 0.57 H new ATOM 249 P DC A 9 8.526 0.543 12.025 1.00 0.73 P ATOM 250 OP1 DC A 9 9.257 1.495 12.900 1.00 0.82 O ATOM 251 OP2 DC A 9 8.579 -0.912 12.318 1.00 0.70 O ATOM 252 O5' DC A 9 6.995 0.981 11.980 1.00 0.66 O ATOM 253 C5' DC A 9 6.588 2.170 11.298 1.00 0.68 C ATOM 254 C4' DC A 9 5.147 2.491 11.621 1.00 0.62 C ATOM 255 O4' DC A 9 4.295 1.850 10.639 1.00 0.54 O ATOM 256 C3' DC A 9 4.678 1.996 12.991 1.00 0.58 C ATOM 257 O3' DC A 9 3.927 3.018 13.655 1.00 0.63 O ATOM 258 C2' DC A 9 3.809 0.791 12.668 1.00 0.49 C ATOM 259 C1' DC A 9 3.277 1.107 11.282 1.00 0.47 C ATOM 260 N1 DC A 9 2.975 -0.063 10.436 1.00 0.44 N ATOM 261 C2 DC A 9 1.710 -0.160 9.839 1.00 0.44 C ATOM 262 O2 DC A 9 0.869 0.725 10.060 1.00 0.43 O ATOM 263 N3 DC A 9 1.437 -1.214 9.038 1.00 0.48 N ATOM 264 C4 DC A 9 2.365 -2.149 8.826 1.00 0.51 C ATOM 265 N4 DC A 9 2.050 -3.171 8.032 1.00 0.59 N ATOM 266 C5 DC A 9 3.658 -2.078 9.422 1.00 0.48 C ATOM 267 C6 DC A 9 3.914 -1.034 10.219 1.00 0.45 C ATOM 0 H5' DC A 9 6.707 2.039 10.222 1.00 0.68 H new ATOM 0 H5'' DC A 9 7.228 3.003 11.590 1.00 0.68 H new ATOM 0 H4' DC A 9 5.081 3.579 11.617 1.00 0.62 H new ATOM 0 H3' DC A 9 5.499 1.741 13.661 1.00 0.58 H new ATOM 0 H2' DC A 9 4.385 -0.134 12.677 1.00 0.49 H new ATOM 0 H2'' DC A 9 3.002 0.671 13.391 1.00 0.49 H new ATOM 0 H1' DC A 9 2.328 1.629 11.408 1.00 0.47 H new ATOM 0 H41 DC A 9 2.735 -3.904 7.848 1.00 0.59 H new ATOM 0 H42 DC A 9 1.124 -3.221 7.608 1.00 0.59 H new ATOM 0 H5 DC A 9 4.403 -2.838 9.237 1.00 0.48 H new ATOM 0 H6 DC A 9 4.878 -0.957 10.699 1.00 0.45 H new ATOM 279 P DT A 10 3.406 2.780 15.157 1.00 0.67 P ATOM 280 OP1 DT A 10 3.550 4.065 15.887 1.00 0.80 O ATOM 281 OP2 DT A 10 4.047 1.553 15.699 1.00 0.67 O ATOM 282 O5' DT A 10 1.852 2.488 14.970 1.00 0.61 O ATOM 283 C5' DT A 10 1.155 2.957 13.815 1.00 0.56 C ATOM 284 C4' DT A 10 -0.156 2.225 13.659 1.00 0.51 C ATOM 285 O4' DT A 10 0.015 1.134 12.729 1.00 0.45 O ATOM 286 C3' DT A 10 -0.704 1.591 14.942 1.00 0.57 C ATOM 287 O3' DT A 10 -1.843 2.333 15.402 1.00 0.62 O ATOM 288 C2' DT A 10 -1.105 0.180 14.524 1.00 0.54 C ATOM 289 C1' DT A 10 -0.989 0.193 13.016 1.00 0.47 C ATOM 290 N1 DT A 10 -0.600 -1.101 12.436 1.00 0.47 N ATOM 291 C2 DT A 10 -1.463 -1.697 11.549 1.00 0.51 C ATOM 292 O2 DT A 10 -2.512 -1.185 11.198 1.00 0.52 O ATOM 293 N3 DT A 10 -1.055 -2.917 11.087 1.00 0.56 N ATOM 294 C4 DT A 10 0.103 -3.587 11.416 1.00 0.57 C ATOM 295 O4 DT A 10 0.333 -4.685 10.918 1.00 0.65 O ATOM 296 C5 DT A 10 0.969 -2.904 12.352 1.00 0.52 C ATOM 297 C7 DT A 10 2.171 -3.627 12.874 1.00 0.56 C ATOM 298 C6 DT A 10 0.588 -1.695 12.800 1.00 0.48 C ATOM 0 H5' DT A 10 1.769 2.809 12.927 1.00 0.56 H new ATOM 0 H5'' DT A 10 0.973 4.028 13.902 1.00 0.56 H new ATOM 0 H4' DT A 10 -0.859 2.990 13.328 1.00 0.51 H new ATOM 0 H3' DT A 10 0.018 1.585 15.759 1.00 0.57 H new ATOM 0 H2' DT A 10 -0.448 -0.569 14.968 1.00 0.54 H new ATOM 0 H2'' DT A 10 -2.120 -0.057 14.843 1.00 0.54 H new ATOM 0 H1' DT A 10 -1.962 0.429 12.586 1.00 0.47 H new ATOM 0 H3 DT A 10 -1.676 -3.383 10.426 1.00 0.56 H new ATOM 0 H71 DT A 10 2.960 -2.908 13.096 1.00 0.56 H new ATOM 0 H72 DT A 10 1.905 -4.167 13.783 1.00 0.56 H new ATOM 0 H73 DT A 10 2.525 -4.333 12.123 1.00 0.56 H new ATOM 0 H6 DT A 10 1.243 -1.166 13.476 1.00 0.48 H new ATOM 311 P DC A 11 -2.844 1.682 16.482 1.00 0.72 P ATOM 312 OP1 DC A 11 -3.694 2.775 17.018 1.00 0.79 O ATOM 313 OP2 DC A 11 -2.048 0.847 17.418 1.00 0.79 O ATOM 314 O5' DC A 11 -3.769 0.716 15.616 1.00 0.70 O ATOM 315 C5' DC A 11 -4.494 1.208 14.485 1.00 0.66 C ATOM 316 C4' DC A 11 -5.636 0.277 14.150 1.00 0.72 C ATOM 317 O4' DC A 11 -5.109 -0.856 13.418 1.00 0.70 O ATOM 318 C3' DC A 11 -6.376 -0.295 15.361 1.00 0.83 C ATOM 319 O3' DC A 11 -7.788 -0.312 15.123 1.00 0.90 O ATOM 320 C2' DC A 11 -5.850 -1.717 15.478 1.00 0.86 C ATOM 321 C1' DC A 11 -5.455 -2.071 14.058 1.00 0.79 C ATOM 322 N1 DC A 11 -4.298 -2.971 13.966 1.00 0.78 N ATOM 323 C2 DC A 11 -4.347 -4.068 13.101 1.00 0.83 C ATOM 324 O2 DC A 11 -5.371 -4.259 12.430 1.00 0.88 O ATOM 325 N3 DC A 11 -3.275 -4.890 13.019 1.00 0.85 N ATOM 326 C4 DC A 11 -2.190 -4.646 13.757 1.00 0.81 C ATOM 327 N4 DC A 11 -1.157 -5.479 13.638 1.00 0.84 N ATOM 328 C5 DC A 11 -2.118 -3.535 14.647 1.00 0.77 C ATOM 329 C6 DC A 11 -3.188 -2.736 14.720 1.00 0.76 C ATOM 0 H5' DC A 11 -3.827 1.299 13.628 1.00 0.66 H new ATOM 0 H5'' DC A 11 -4.879 2.206 14.697 1.00 0.66 H new ATOM 0 H4' DC A 11 -6.346 0.880 13.583 1.00 0.72 H new ATOM 0 H3' DC A 11 -6.215 0.293 16.265 1.00 0.83 H new ATOM 0 H2' DC A 11 -4.999 -1.775 16.157 1.00 0.86 H new ATOM 0 H2'' DC A 11 -6.611 -2.395 15.863 1.00 0.86 H new ATOM 0 H1' DC A 11 -6.295 -2.592 13.598 1.00 0.79 H new ATOM 0 H41 DC A 11 -0.311 -5.324 14.186 1.00 0.84 H new ATOM 0 H42 DC A 11 -1.212 -6.272 12.999 1.00 0.84 H new ATOM 0 H5 DC A 11 -1.235 -3.346 15.239 1.00 0.77 H new ATOM 0 H6 DC A 11 -3.172 -1.889 15.389 1.00 0.76 H new ATOM 341 P DC A 12 -8.808 -0.009 16.330 1.00 1.04 P ATOM 342 OP1 DC A 12 -9.912 0.827 15.793 1.00 1.12 O ATOM 343 OP2 DC A 12 -8.020 0.478 17.491 1.00 1.13 O ATOM 344 O5' DC A 12 -9.403 -1.438 16.710 1.00 1.14 O ATOM 345 C5' DC A 12 -10.517 -1.984 16.000 1.00 1.20 C ATOM 346 C4' DC A 12 -10.669 -3.455 16.316 1.00 1.32 C ATOM 347 O4' DC A 12 -9.661 -4.187 15.591 1.00 1.26 O ATOM 348 C3' DC A 12 -10.472 -3.861 17.776 1.00 1.45 C ATOM 349 O3' DC A 12 -11.711 -3.799 18.488 1.00 1.59 O ATOM 350 C2' DC A 12 -10.001 -5.303 17.666 1.00 1.52 C ATOM 351 C1' DC A 12 -9.333 -5.380 16.289 1.00 1.38 C ATOM 352 N1 DC A 12 -7.864 -5.494 16.310 1.00 1.29 N ATOM 353 C2 DC A 12 -7.269 -6.608 15.716 1.00 1.30 C ATOM 354 O2 DC A 12 -7.995 -7.472 15.206 1.00 1.40 O ATOM 355 N3 DC A 12 -5.921 -6.717 15.714 1.00 1.24 N ATOM 356 C4 DC A 12 -5.176 -5.766 16.283 1.00 1.15 C ATOM 357 N4 DC A 12 -3.851 -5.913 16.259 1.00 1.11 N ATOM 358 C5 DC A 12 -5.757 -4.622 16.901 1.00 1.14 C ATOM 359 C6 DC A 12 -7.093 -4.528 16.889 1.00 1.20 C ATOM 0 H5' DC A 12 -10.376 -1.848 14.928 1.00 1.20 H new ATOM 0 H5'' DC A 12 -11.428 -1.450 16.272 1.00 1.20 H new ATOM 0 H4' DC A 12 -11.701 -3.676 16.045 1.00 1.32 H new ATOM 0 H3' DC A 12 -9.778 -3.214 18.313 1.00 1.45 H new ATOM 0 H2' DC A 12 -9.301 -5.554 18.462 1.00 1.52 H new ATOM 0 H2'' DC A 12 -10.835 -6.001 17.743 1.00 1.52 H new ATOM 0 HO3' DC A 12 -11.566 -4.064 19.420 1.00 1.59 H new ATOM 0 H1' DC A 12 -9.703 -6.290 15.817 1.00 1.38 H new ATOM 0 H41 DC A 12 -3.252 -5.206 16.684 1.00 1.11 H new ATOM 0 H42 DC A 12 -3.437 -6.733 15.815 1.00 1.11 H new ATOM 0 H5 DC A 12 -5.145 -3.861 17.361 1.00 1.14 H new ATOM 0 H6 DC A 12 -7.569 -3.673 17.346 1.00 1.20 H new TER 372 DC A 12 ATOM 373 O5' DG B 13 -0.742 -15.530 12.551 1.00 1.97 O ATOM 374 C5' DG B 13 -1.929 -16.310 12.383 1.00 2.02 C ATOM 375 C4' DG B 13 -3.060 -15.466 11.843 1.00 1.90 C ATOM 376 O4' DG B 13 -3.395 -14.456 12.817 1.00 1.82 O ATOM 377 C3' DG B 13 -2.749 -14.698 10.561 1.00 1.75 C ATOM 378 O3' DG B 13 -3.142 -15.468 9.419 1.00 1.84 O ATOM 379 C2' DG B 13 -3.603 -13.445 10.678 1.00 1.63 C ATOM 380 C1' DG B 13 -3.907 -13.304 12.166 1.00 1.67 C ATOM 381 N9 DG B 13 -3.308 -12.134 12.800 1.00 1.54 N ATOM 382 C8 DG B 13 -1.972 -11.884 12.995 1.00 1.48 C ATOM 383 N7 DG B 13 -1.744 -10.753 13.605 1.00 1.38 N ATOM 384 C5 DG B 13 -3.009 -10.224 13.826 1.00 1.36 C ATOM 385 C6 DG B 13 -3.406 -9.013 14.455 1.00 1.28 C ATOM 386 O6 DG B 13 -2.694 -8.132 14.951 1.00 1.20 O ATOM 387 N1 DG B 13 -4.790 -8.875 14.470 1.00 1.32 N ATOM 388 C2 DG B 13 -5.678 -9.777 13.941 1.00 1.42 C ATOM 389 N2 DG B 13 -6.972 -9.465 14.045 1.00 1.47 N ATOM 390 N3 DG B 13 -5.323 -10.904 13.351 1.00 1.50 N ATOM 391 C4 DG B 13 -3.984 -11.064 13.332 1.00 1.46 C ATOM 0 H5' DG B 13 -2.220 -16.746 13.339 1.00 2.02 H new ATOM 0 H5'' DG B 13 -1.731 -17.138 11.702 1.00 2.02 H new ATOM 0 H4' DG B 13 -3.856 -16.179 11.630 1.00 1.90 H new ATOM 0 H3' DG B 13 -1.689 -14.477 10.439 1.00 1.75 H new ATOM 0 H2' DG B 13 -3.073 -12.571 10.300 1.00 1.63 H new ATOM 0 H2'' DG B 13 -4.520 -13.538 10.096 1.00 1.63 H new ATOM 0 HO5' DG B 13 -0.025 -16.097 12.903 1.00 1.97 H new ATOM 0 H1' DG B 13 -4.987 -13.190 12.258 1.00 1.67 H new ATOM 0 H8 DG B 13 -1.189 -12.556 12.676 1.00 1.48 H new ATOM 0 H1 DG B 13 -5.175 -8.038 14.908 1.00 1.32 H new ATOM 0 H21 DG B 13 -7.680 -10.096 13.671 1.00 1.47 H new ATOM 0 H22 DG B 13 -7.252 -8.596 14.499 1.00 1.47 H new ATOM 404 P DG B 14 -2.619 -15.056 7.954 1.00 1.86 P ATOM 405 OP1 DG B 14 -2.751 -16.239 7.067 1.00 2.11 O ATOM 406 OP2 DG B 14 -1.295 -14.402 8.111 1.00 1.83 O ATOM 407 O5' DG B 14 -3.657 -13.950 7.463 1.00 1.76 O ATOM 408 C5' DG B 14 -5.062 -14.105 7.681 1.00 1.81 C ATOM 409 C4' DG B 14 -5.763 -12.773 7.538 1.00 1.69 C ATOM 410 O4' DG B 14 -5.330 -11.894 8.611 1.00 1.57 O ATOM 411 C3' DG B 14 -5.471 -11.994 6.252 1.00 1.64 C ATOM 412 O3' DG B 14 -6.618 -11.207 5.901 1.00 1.61 O ATOM 413 C2' DG B 14 -4.302 -11.129 6.666 1.00 1.51 C ATOM 414 C1' DG B 14 -4.773 -10.717 8.040 1.00 1.44 C ATOM 415 N9 DG B 14 -3.704 -10.239 8.905 1.00 1.34 N ATOM 416 C8 DG B 14 -2.473 -10.812 9.070 1.00 1.36 C ATOM 417 N7 DG B 14 -1.707 -10.161 9.902 1.00 1.26 N ATOM 418 C5 DG B 14 -2.487 -9.086 10.309 1.00 1.17 C ATOM 419 C6 DG B 14 -2.199 -8.025 11.207 1.00 1.06 C ATOM 420 O6 DG B 14 -1.162 -7.816 11.848 1.00 1.02 O ATOM 421 N1 DG B 14 -3.272 -7.149 11.323 1.00 1.02 N ATOM 422 C2 DG B 14 -4.471 -7.280 10.667 1.00 1.07 C ATOM 423 N2 DG B 14 -5.387 -6.338 10.908 1.00 1.03 N ATOM 424 N3 DG B 14 -4.753 -8.262 9.832 1.00 1.18 N ATOM 425 C4 DG B 14 -3.723 -9.122 9.701 1.00 1.22 C ATOM 0 H5' DG B 14 -5.240 -14.513 8.676 1.00 1.81 H new ATOM 0 H5'' DG B 14 -5.472 -14.818 6.966 1.00 1.81 H new ATOM 0 H4' DG B 14 -6.822 -13.032 7.545 1.00 1.69 H new ATOM 0 H3' DG B 14 -5.253 -12.609 5.379 1.00 1.64 H new ATOM 0 H2' DG B 14 -3.362 -11.680 6.693 1.00 1.51 H new ATOM 0 H2'' DG B 14 -4.154 -10.278 6.001 1.00 1.51 H new ATOM 0 H1' DG B 14 -5.475 -9.888 7.948 1.00 1.44 H new ATOM 0 H8 DG B 14 -2.165 -11.714 8.562 1.00 1.36 H new ATOM 0 H1 DG B 14 -3.160 -6.347 11.943 1.00 1.02 H new ATOM 0 H21 DG B 14 -6.297 -6.382 10.449 1.00 1.03 H new ATOM 0 H22 DG B 14 -5.176 -5.574 11.551 1.00 1.03 H new ATOM 437 P DA B 15 -6.583 -10.259 4.602 1.00 1.59 P ATOM 438 OP1 DA B 15 -7.720 -10.666 3.738 1.00 1.72 O ATOM 439 OP2 DA B 15 -5.208 -10.240 4.040 1.00 1.58 O ATOM 440 O5' DA B 15 -6.907 -8.810 5.181 1.00 1.45 O ATOM 441 C5' DA B 15 -7.896 -8.626 6.198 1.00 1.43 C ATOM 442 C4' DA B 15 -8.440 -7.213 6.153 1.00 1.35 C ATOM 443 O4' DA B 15 -7.697 -6.395 7.085 1.00 1.22 O ATOM 444 C3' DA B 15 -8.298 -6.493 4.816 1.00 1.35 C ATOM 445 O3' DA B 15 -9.267 -5.440 4.719 1.00 1.33 O ATOM 446 C2' DA B 15 -6.891 -5.929 4.902 1.00 1.26 C ATOM 447 C1' DA B 15 -6.749 -5.593 6.384 1.00 1.16 C ATOM 448 N9 DA B 15 -5.429 -5.889 6.936 1.00 1.09 N ATOM 449 C8 DA B 15 -4.704 -7.033 6.733 1.00 1.16 C ATOM 450 N7 DA B 15 -3.563 -7.059 7.380 1.00 1.09 N ATOM 451 C5 DA B 15 -3.529 -5.840 8.043 1.00 0.97 C ATOM 452 C6 DA B 15 -2.583 -5.256 8.906 1.00 0.85 C ATOM 453 N6 DA B 15 -1.453 -5.855 9.284 1.00 0.85 N ATOM 454 N1 DA B 15 -2.847 -4.024 9.386 1.00 0.75 N ATOM 455 C2 DA B 15 -3.989 -3.427 9.026 1.00 0.77 C ATOM 456 N3 DA B 15 -4.964 -3.878 8.237 1.00 0.87 N ATOM 457 C4 DA B 15 -4.668 -5.104 7.771 1.00 0.97 C ATOM 0 H5' DA B 15 -7.461 -8.825 7.178 1.00 1.43 H new ATOM 0 H5'' DA B 15 -8.708 -9.340 6.059 1.00 1.43 H new ATOM 0 H4' DA B 15 -9.501 -7.328 6.375 1.00 1.35 H new ATOM 0 H3' DA B 15 -8.457 -7.130 3.946 1.00 1.35 H new ATOM 0 H2' DA B 15 -6.144 -6.654 4.579 1.00 1.26 H new ATOM 0 H2'' DA B 15 -6.770 -5.046 4.274 1.00 1.26 H new ATOM 0 H1' DA B 15 -6.908 -4.520 6.495 1.00 1.16 H new ATOM 0 H8 DA B 15 -5.041 -7.840 6.099 1.00 1.16 H new ATOM 0 H61 DA B 15 -0.808 -5.377 9.913 1.00 0.85 H new ATOM 0 H62 DA B 15 -1.234 -6.791 8.944 1.00 0.85 H new ATOM 0 H2 DA B 15 -4.143 -2.438 9.433 1.00 0.77 H new ATOM 469 P DG B 16 -9.149 -4.346 3.545 1.00 1.34 P ATOM 470 OP1 DG B 16 -10.522 -3.896 3.203 1.00 1.41 O ATOM 471 OP2 DG B 16 -8.278 -4.906 2.480 1.00 1.41 O ATOM 472 O5' DG B 16 -8.384 -3.125 4.228 1.00 1.18 O ATOM 473 C5' DG B 16 -9.045 -2.288 5.178 1.00 1.04 C ATOM 474 C4' DG B 16 -8.139 -1.159 5.611 1.00 0.97 C ATOM 475 O4' DG B 16 -6.900 -1.713 6.116 1.00 0.93 O ATOM 476 C3' DG B 16 -7.745 -0.168 4.507 1.00 0.98 C ATOM 477 O3' DG B 16 -8.056 1.167 4.932 1.00 0.96 O ATOM 478 C2' DG B 16 -6.239 -0.359 4.357 1.00 0.94 C ATOM 479 C1' DG B 16 -5.845 -0.863 5.726 1.00 0.90 C ATOM 480 N9 DG B 16 -4.602 -1.628 5.775 1.00 0.87 N ATOM 481 C8 DG B 16 -4.287 -2.749 5.048 1.00 0.95 C ATOM 482 N7 DG B 16 -3.104 -3.225 5.322 1.00 0.90 N ATOM 483 C5 DG B 16 -2.601 -2.357 6.281 1.00 0.78 C ATOM 484 C6 DG B 16 -1.355 -2.355 6.949 1.00 0.69 C ATOM 485 O6 DG B 16 -0.417 -3.149 6.827 1.00 0.70 O ATOM 486 N1 DG B 16 -1.252 -1.291 7.838 1.00 0.60 N ATOM 487 C2 DG B 16 -2.225 -0.349 8.054 1.00 0.59 C ATOM 488 N2 DG B 16 -1.939 0.600 8.953 1.00 0.52 N ATOM 489 N3 DG B 16 -3.393 -0.337 7.436 1.00 0.67 N ATOM 490 C4 DG B 16 -3.513 -1.363 6.568 1.00 0.76 C ATOM 0 H5' DG B 16 -9.342 -2.877 6.046 1.00 1.04 H new ATOM 0 H5'' DG B 16 -9.958 -1.882 4.741 1.00 1.04 H new ATOM 0 H4' DG B 16 -8.719 -0.611 6.354 1.00 0.97 H new ATOM 0 H3' DG B 16 -8.272 -0.331 3.567 1.00 0.98 H new ATOM 0 H2' DG B 16 -5.995 -1.076 3.573 1.00 0.94 H new ATOM 0 H2'' DG B 16 -5.733 0.573 4.105 1.00 0.94 H new ATOM 0 H1' DG B 16 -5.674 -0.002 6.372 1.00 0.90 H new ATOM 0 H8 DG B 16 -4.952 -3.192 4.322 1.00 0.95 H new ATOM 0 H1 DG B 16 -0.386 -1.204 8.370 1.00 0.60 H new ATOM 0 H21 DG B 16 -2.621 1.330 9.159 1.00 0.52 H new ATOM 0 H22 DG B 16 -1.039 0.594 9.432 1.00 0.52 H new ATOM 502 P DG B 17 -7.446 2.430 4.141 1.00 0.97 P ATOM 503 OP1 DG B 17 -8.384 3.571 4.302 1.00 1.01 O ATOM 504 OP2 DG B 17 -7.067 1.982 2.776 1.00 1.00 O ATOM 505 O5' DG B 17 -6.110 2.771 4.941 1.00 0.91 O ATOM 506 C5' DG B 17 -6.102 2.817 6.370 1.00 0.87 C ATOM 507 C4' DG B 17 -5.128 3.863 6.859 1.00 0.79 C ATOM 508 O4' DG B 17 -3.870 3.219 7.171 1.00 0.70 O ATOM 509 C3' DG B 17 -4.809 4.972 5.856 1.00 0.81 C ATOM 510 O3' DG B 17 -4.710 6.235 6.522 1.00 0.81 O ATOM 511 C2' DG B 17 -3.461 4.578 5.274 1.00 0.73 C ATOM 512 C1' DG B 17 -2.828 3.668 6.320 1.00 0.66 C ATOM 513 N9 DG B 17 -2.166 2.487 5.773 1.00 0.65 N ATOM 514 C8 DG B 17 -2.675 1.608 4.848 1.00 0.69 C ATOM 515 N7 DG B 17 -1.853 0.641 4.548 1.00 0.68 N ATOM 516 C5 DG B 17 -0.730 0.893 5.324 1.00 0.62 C ATOM 517 C6 DG B 17 0.494 0.184 5.421 1.00 0.59 C ATOM 518 O6 DG B 17 0.842 -0.836 4.818 1.00 0.61 O ATOM 519 N1 DG B 17 1.362 0.781 6.330 1.00 0.56 N ATOM 520 C2 DG B 17 1.086 1.915 7.054 1.00 0.55 C ATOM 521 N2 DG B 17 2.039 2.324 7.905 1.00 0.54 N ATOM 522 N3 DG B 17 -0.045 2.596 6.960 1.00 0.57 N ATOM 523 C4 DG B 17 -0.904 2.030 6.085 1.00 0.60 C ATOM 0 H5' DG B 17 -5.828 1.841 6.770 1.00 0.87 H new ATOM 0 H5'' DG B 17 -7.103 3.043 6.738 1.00 0.87 H new ATOM 0 H4' DG B 17 -5.615 4.326 7.718 1.00 0.79 H new ATOM 0 H3' DG B 17 -5.581 5.077 5.093 1.00 0.81 H new ATOM 0 H2' DG B 17 -3.579 4.062 4.321 1.00 0.73 H new ATOM 0 H2'' DG B 17 -2.841 5.455 5.087 1.00 0.73 H new ATOM 0 H1' DG B 17 -2.060 4.251 6.828 1.00 0.66 H new ATOM 0 H8 DG B 17 -3.658 1.708 4.413 1.00 0.69 H new ATOM 0 H1 DG B 17 2.273 0.343 6.469 1.00 0.56 H new ATOM 0 H21 DG B 17 1.893 3.160 8.471 1.00 0.54 H new ATOM 0 H22 DG B 17 2.910 1.799 7.986 1.00 0.54 H new ATOM 535 P DC B 18 -4.907 7.595 5.687 1.00 0.88 P ATOM 536 OP1 DC B 18 -5.329 8.642 6.652 1.00 0.99 O ATOM 537 OP2 DC B 18 -5.753 7.309 4.499 1.00 0.97 O ATOM 538 O5' DC B 18 -3.440 7.954 5.180 1.00 0.77 O ATOM 539 C5' DC B 18 -2.457 8.466 6.081 1.00 0.83 C ATOM 540 C4' DC B 18 -1.071 8.090 5.613 1.00 0.76 C ATOM 541 O4' DC B 18 -1.063 6.695 5.253 1.00 0.73 O ATOM 542 C3' DC B 18 -0.580 8.836 4.370 1.00 0.76 C ATOM 543 O3' DC B 18 0.348 9.862 4.742 1.00 0.83 O ATOM 544 C2' DC B 18 0.122 7.770 3.539 1.00 0.70 C ATOM 545 C1' DC B 18 -0.009 6.486 4.341 1.00 0.70 C ATOM 546 N1 DC B 18 -0.333 5.301 3.534 1.00 0.66 N ATOM 547 C2 DC B 18 0.627 4.303 3.396 1.00 0.62 C ATOM 548 O2 DC B 18 1.716 4.443 3.964 1.00 0.62 O ATOM 549 N3 DC B 18 0.349 3.211 2.650 1.00 0.60 N ATOM 550 C4 DC B 18 -0.841 3.097 2.058 1.00 0.61 C ATOM 551 N4 DC B 18 -1.072 2.003 1.331 1.00 0.60 N ATOM 552 C5 DC B 18 -1.846 4.101 2.185 1.00 0.65 C ATOM 553 C6 DC B 18 -1.549 5.178 2.925 1.00 0.67 C ATOM 0 H5' DC B 18 -2.630 8.071 7.082 1.00 0.83 H new ATOM 0 H5'' DC B 18 -2.544 9.550 6.147 1.00 0.83 H new ATOM 0 H4' DC B 18 -0.416 8.347 6.446 1.00 0.76 H new ATOM 0 H3' DC B 18 -1.392 9.321 3.828 1.00 0.76 H new ATOM 0 H2' DC B 18 -0.340 7.669 2.557 1.00 0.70 H new ATOM 0 H2'' DC B 18 1.169 8.026 3.374 1.00 0.70 H new ATOM 0 H1' DC B 18 0.954 6.282 4.810 1.00 0.70 H new ATOM 0 H41 DC B 18 -1.971 1.881 0.864 1.00 0.60 H new ATOM 0 H42 DC B 18 -0.350 1.288 1.242 1.00 0.60 H new ATOM 0 H5 DC B 18 -2.808 3.997 1.704 1.00 0.65 H new ATOM 0 H6 DC B 18 -2.283 5.961 3.042 1.00 0.67 H new ATOM 565 P DC B 19 1.051 10.754 3.603 1.00 0.94 P ATOM 566 OP1 DC B 19 1.784 11.850 4.287 1.00 1.14 O ATOM 567 OP2 DC B 19 0.032 11.085 2.574 1.00 1.01 O ATOM 568 O5' DC B 19 2.119 9.771 2.943 1.00 0.82 O ATOM 569 C5' DC B 19 3.380 9.523 3.568 1.00 0.93 C ATOM 570 C4' DC B 19 4.368 8.982 2.559 1.00 0.88 C ATOM 571 O4' DC B 19 4.011 7.621 2.220 1.00 0.80 O ATOM 572 C3' DC B 19 4.433 9.753 1.238 1.00 0.84 C ATOM 573 O3' DC B 19 5.785 10.165 1.002 1.00 0.87 O ATOM 574 C2' DC B 19 3.973 8.753 0.186 1.00 0.75 C ATOM 575 C1' DC B 19 4.211 7.408 0.838 1.00 0.74 C ATOM 576 N1 DC B 19 3.305 6.324 0.422 1.00 0.68 N ATOM 577 C2 DC B 19 3.859 5.141 -0.075 1.00 0.66 C ATOM 578 O2 DC B 19 5.089 5.057 -0.191 1.00 0.70 O ATOM 579 N3 DC B 19 3.042 4.120 -0.417 1.00 0.63 N ATOM 580 C4 DC B 19 1.721 4.252 -0.287 1.00 0.60 C ATOM 581 N4 DC B 19 0.957 3.220 -0.644 1.00 0.58 N ATOM 582 C5 DC B 19 1.127 5.448 0.210 1.00 0.62 C ATOM 583 C6 DC B 19 1.949 6.453 0.540 1.00 0.66 C ATOM 0 H5' DC B 19 3.256 8.811 4.383 1.00 0.93 H new ATOM 0 H5'' DC B 19 3.764 10.444 4.006 1.00 0.93 H new ATOM 0 H4' DC B 19 5.339 9.071 3.046 1.00 0.88 H new ATOM 0 H3' DC B 19 3.816 10.652 1.231 1.00 0.84 H new ATOM 0 H2' DC B 19 2.922 8.894 -0.068 1.00 0.75 H new ATOM 0 H2'' DC B 19 4.541 8.855 -0.739 1.00 0.75 H new ATOM 0 H1' DC B 19 5.208 7.077 0.549 1.00 0.74 H new ATOM 0 H41 DC B 19 -0.058 3.283 -0.559 1.00 0.58 H new ATOM 0 H42 DC B 19 1.387 2.367 -1.002 1.00 0.58 H new ATOM 0 H5 DC B 19 0.056 5.541 0.316 1.00 0.62 H new ATOM 0 H6 DC B 19 1.534 7.381 0.905 1.00 0.66 H new ATOM 595 P DT B 20 6.167 10.919 -0.365 1.00 0.88 P ATOM 596 OP1 DT B 20 7.494 11.556 -0.164 1.00 0.96 O ATOM 597 OP2 DT B 20 5.010 11.751 -0.784 1.00 0.88 O ATOM 598 O5' DT B 20 6.338 9.734 -1.416 1.00 0.81 O ATOM 599 C5' DT B 20 7.372 8.757 -1.271 1.00 0.81 C ATOM 600 C4' DT B 20 7.606 8.053 -2.590 1.00 0.75 C ATOM 601 O4' DT B 20 6.682 6.939 -2.714 1.00 0.72 O ATOM 602 C3' DT B 20 7.382 8.907 -3.846 1.00 0.71 C ATOM 603 O3' DT B 20 8.380 8.596 -4.827 1.00 0.69 O ATOM 604 C2' DT B 20 6.009 8.466 -4.313 1.00 0.65 C ATOM 605 C1' DT B 20 6.105 6.988 -4.006 1.00 0.63 C ATOM 606 N1 DT B 20 4.838 6.217 -3.979 1.00 0.60 N ATOM 607 C2 DT B 20 4.923 4.870 -4.255 1.00 0.58 C ATOM 608 O2 DT B 20 5.974 4.312 -4.514 1.00 0.59 O ATOM 609 N3 DT B 20 3.729 4.197 -4.213 1.00 0.56 N ATOM 610 C4 DT B 20 2.490 4.720 -3.925 1.00 0.56 C ATOM 611 O4 DT B 20 1.509 3.982 -3.896 1.00 0.55 O ATOM 612 C5 DT B 20 2.467 6.140 -3.650 1.00 0.57 C ATOM 613 C7 DT B 20 1.152 6.808 -3.397 1.00 0.58 C ATOM 614 C6 DT B 20 3.626 6.815 -3.689 1.00 0.60 C ATOM 0 H5' DT B 20 7.094 8.032 -0.506 1.00 0.81 H new ATOM 0 H5'' DT B 20 8.292 9.236 -0.936 1.00 0.81 H new ATOM 0 H4' DT B 20 8.657 7.767 -2.554 1.00 0.75 H new ATOM 0 H3' DT B 20 7.446 9.981 -3.670 1.00 0.71 H new ATOM 0 H2' DT B 20 5.203 8.956 -3.767 1.00 0.65 H new ATOM 0 H2'' DT B 20 5.843 8.664 -5.372 1.00 0.65 H new ATOM 0 H1' DT B 20 6.670 6.520 -4.812 1.00 0.63 H new ATOM 0 H3 DT B 20 3.764 3.198 -4.418 1.00 0.56 H new ATOM 0 H71 DT B 20 1.297 7.652 -2.723 1.00 0.58 H new ATOM 0 H72 DT B 20 0.737 7.163 -4.340 1.00 0.58 H new ATOM 0 H73 DT B 20 0.463 6.095 -2.943 1.00 0.58 H new ATOM 0 H6 DT B 20 3.611 7.875 -3.484 1.00 0.60 H new ATOM 627 P DG B 21 8.430 9.414 -6.212 1.00 0.64 P ATOM 628 OP1 DG B 21 9.764 10.062 -6.286 1.00 0.78 O ATOM 629 OP2 DG B 21 7.204 10.246 -6.328 1.00 0.65 O ATOM 630 O5' DG B 21 8.367 8.279 -7.330 1.00 0.53 O ATOM 631 C5' DG B 21 9.513 7.480 -7.632 1.00 0.59 C ATOM 632 C4' DG B 21 9.170 6.444 -8.679 1.00 0.58 C ATOM 633 O4' DG B 21 8.036 5.662 -8.226 1.00 0.56 O ATOM 634 C3' DG B 21 8.778 7.008 -10.050 1.00 0.54 C ATOM 635 O3' DG B 21 9.533 6.347 -11.073 1.00 0.66 O ATOM 636 C2' DG B 21 7.294 6.693 -10.175 1.00 0.47 C ATOM 637 C1' DG B 21 7.139 5.466 -9.303 1.00 0.49 C ATOM 638 N9 DG B 21 5.807 5.246 -8.744 1.00 0.47 N ATOM 639 C8 DG B 21 4.963 6.183 -8.199 1.00 0.47 C ATOM 640 N7 DG B 21 3.862 5.671 -7.724 1.00 0.52 N ATOM 641 C5 DG B 21 3.970 4.315 -7.998 1.00 0.53 C ATOM 642 C6 DG B 21 3.070 3.254 -7.735 1.00 0.60 C ATOM 643 O6 DG B 21 1.968 3.299 -7.178 1.00 0.67 O ATOM 644 N1 DG B 21 3.565 2.038 -8.191 1.00 0.61 N ATOM 645 C2 DG B 21 4.770 1.867 -8.828 1.00 0.58 C ATOM 646 N2 DG B 21 5.067 0.617 -9.202 1.00 0.63 N ATOM 647 N3 DG B 21 5.619 2.849 -9.080 1.00 0.54 N ATOM 648 C4 DG B 21 5.158 4.038 -8.640 1.00 0.50 C ATOM 0 H5' DG B 21 9.870 6.988 -6.727 1.00 0.59 H new ATOM 0 H5'' DG B 21 10.323 8.115 -7.991 1.00 0.59 H new ATOM 0 H4' DG B 21 10.085 5.865 -8.804 1.00 0.58 H new ATOM 0 H3' DG B 21 8.976 8.075 -10.151 1.00 0.54 H new ATOM 0 H2' DG B 21 6.674 7.519 -9.826 1.00 0.47 H new ATOM 0 H2'' DG B 21 7.008 6.494 -11.208 1.00 0.47 H new ATOM 0 H1' DG B 21 7.331 4.591 -9.924 1.00 0.49 H new ATOM 0 H8 DG B 21 5.189 7.239 -8.167 1.00 0.47 H new ATOM 0 H1 DG B 21 2.990 1.209 -8.041 1.00 0.61 H new ATOM 0 H21 DG B 21 5.947 0.423 -9.680 1.00 0.63 H new ATOM 0 H22 DG B 21 4.413 -0.142 -9.009 1.00 0.63 H new ATOM 660 P DA B 22 9.326 6.752 -12.615 1.00 0.73 P ATOM 661 OP1 DA B 22 10.672 7.021 -13.182 1.00 0.89 O ATOM 662 OP2 DA B 22 8.271 7.795 -12.707 1.00 0.66 O ATOM 663 O5' DA B 22 8.769 5.417 -13.284 1.00 0.78 O ATOM 664 C5' DA B 22 9.095 4.135 -12.743 1.00 0.81 C ATOM 665 C4' DA B 22 8.274 3.058 -13.414 1.00 0.83 C ATOM 666 O4' DA B 22 7.094 2.800 -12.612 1.00 0.70 O ATOM 667 C3' DA B 22 7.761 3.408 -14.813 1.00 0.92 C ATOM 668 O3' DA B 22 7.804 2.248 -15.653 1.00 1.03 O ATOM 669 C2' DA B 22 6.331 3.849 -14.557 1.00 0.79 C ATOM 670 C1' DA B 22 5.931 2.954 -13.406 1.00 0.66 C ATOM 671 N9 DA B 22 4.873 3.501 -12.559 1.00 0.54 N ATOM 672 C8 DA B 22 4.768 4.786 -12.096 1.00 0.51 C ATOM 673 N7 DA B 22 3.714 4.994 -11.345 1.00 0.46 N ATOM 674 C5 DA B 22 3.076 3.761 -11.320 1.00 0.45 C ATOM 675 C6 DA B 22 1.890 3.321 -10.709 1.00 0.49 C ATOM 676 N6 DA B 22 1.097 4.104 -9.975 1.00 0.56 N ATOM 677 N1 DA B 22 1.536 2.030 -10.884 1.00 0.52 N ATOM 678 C2 DA B 22 2.324 1.244 -11.629 1.00 0.51 C ATOM 679 N3 DA B 22 3.452 1.546 -12.266 1.00 0.51 N ATOM 680 C4 DA B 22 3.779 2.833 -12.067 1.00 0.48 C ATOM 0 H5' DA B 22 8.908 4.128 -11.669 1.00 0.81 H new ATOM 0 H5'' DA B 22 10.157 3.933 -12.883 1.00 0.81 H new ATOM 0 H4' DA B 22 8.949 2.207 -13.507 1.00 0.83 H new ATOM 0 H3' DA B 22 8.350 4.172 -15.320 1.00 0.92 H new ATOM 0 H2' DA B 22 6.270 4.905 -14.294 1.00 0.79 H new ATOM 0 H2'' DA B 22 5.695 3.701 -15.430 1.00 0.79 H new ATOM 0 H1' DA B 22 5.539 2.024 -13.817 1.00 0.66 H new ATOM 0 H8 DA B 22 5.488 5.557 -12.328 1.00 0.51 H new ATOM 0 H61 DA B 22 0.248 3.722 -9.558 1.00 0.56 H new ATOM 0 H62 DA B 22 1.340 5.084 -9.831 1.00 0.56 H new ATOM 0 H2 DA B 22 1.997 0.219 -11.726 1.00 0.51 H new ATOM 692 P DG B 23 7.303 2.347 -17.177 1.00 1.18 P ATOM 693 OP1 DG B 23 7.766 1.120 -17.876 1.00 1.32 O ATOM 694 OP2 DG B 23 7.677 3.680 -17.712 1.00 1.31 O ATOM 695 O5' DG B 23 5.715 2.285 -17.061 1.00 1.03 O ATOM 696 C5' DG B 23 5.054 1.106 -16.597 1.00 0.89 C ATOM 697 C4' DG B 23 3.587 1.157 -16.953 1.00 0.86 C ATOM 698 O4' DG B 23 2.854 1.691 -15.825 1.00 0.76 O ATOM 699 C3' DG B 23 3.248 2.054 -18.150 1.00 1.04 C ATOM 700 O3' DG B 23 2.571 1.302 -19.162 1.00 1.13 O ATOM 701 C2' DG B 23 2.325 3.117 -17.578 1.00 1.01 C ATOM 702 C1' DG B 23 1.793 2.477 -16.318 1.00 0.86 C ATOM 703 N9 DG B 23 1.403 3.428 -15.283 1.00 0.82 N ATOM 704 C8 DG B 23 2.030 4.608 -14.977 1.00 0.82 C ATOM 705 N7 DG B 23 1.439 5.274 -14.023 1.00 0.80 N ATOM 706 C5 DG B 23 0.354 4.480 -13.676 1.00 0.81 C ATOM 707 C6 DG B 23 -0.662 4.683 -12.705 1.00 0.86 C ATOM 708 O6 DG B 23 -0.808 5.634 -11.928 1.00 0.88 O ATOM 709 N1 DG B 23 -1.570 3.631 -12.687 1.00 0.90 N ATOM 710 C2 DG B 23 -1.507 2.521 -13.495 1.00 0.89 C ATOM 711 N2 DG B 23 -2.469 1.610 -13.328 1.00 0.95 N ATOM 712 N3 DG B 23 -0.566 2.319 -14.400 1.00 0.84 N ATOM 713 C4 DG B 23 0.323 3.332 -14.439 1.00 0.81 C ATOM 0 H5' DG B 23 5.171 1.016 -15.517 1.00 0.89 H new ATOM 0 H5'' DG B 23 5.513 0.223 -17.042 1.00 0.89 H new ATOM 0 H4' DG B 23 3.316 0.134 -17.214 1.00 0.86 H new ATOM 0 H3' DG B 23 4.137 2.479 -18.615 1.00 1.04 H new ATOM 0 H2' DG B 23 2.861 4.042 -17.364 1.00 1.01 H new ATOM 0 H2'' DG B 23 1.522 3.367 -18.271 1.00 1.01 H new ATOM 0 H1' DG B 23 0.889 1.918 -16.561 1.00 0.86 H new ATOM 0 H8 DG B 23 2.924 4.952 -15.476 1.00 0.82 H new ATOM 0 H1 DG B 23 -2.342 3.687 -12.023 1.00 0.90 H new ATOM 0 H21 DG B 23 -2.476 0.765 -13.899 1.00 0.95 H new ATOM 0 H22 DG B 23 -3.197 1.760 -12.630 1.00 0.95 H new ATOM 725 P DG B 24 2.429 1.907 -20.646 1.00 1.42 P ATOM 726 OP1 DG B 24 3.122 0.991 -21.588 1.00 1.60 O ATOM 727 OP2 DG B 24 2.818 3.339 -20.596 1.00 1.48 O ATOM 728 O5' DG B 24 0.865 1.837 -20.943 1.00 1.53 O ATOM 729 C5' DG B 24 0.139 0.617 -20.780 1.00 1.52 C ATOM 730 C4' DG B 24 -1.328 0.906 -20.563 1.00 1.59 C ATOM 731 O4' DG B 24 -1.466 1.768 -19.408 1.00 1.57 O ATOM 732 C3' DG B 24 -2.027 1.624 -21.723 1.00 1.77 C ATOM 733 O3' DG B 24 -3.219 0.926 -22.093 1.00 1.85 O ATOM 734 C2' DG B 24 -2.379 2.995 -21.163 1.00 1.82 C ATOM 735 C1' DG B 24 -2.454 2.740 -19.673 1.00 1.70 C ATOM 736 N9 DG B 24 -2.185 3.899 -18.826 1.00 1.68 N ATOM 737 C8 DG B 24 -1.112 4.755 -18.896 1.00 1.68 C ATOM 738 N7 DG B 24 -1.152 5.704 -18.002 1.00 1.67 N ATOM 739 C5 DG B 24 -2.322 5.460 -17.296 1.00 1.69 C ATOM 740 C6 DG B 24 -2.898 6.157 -16.203 1.00 1.72 C ATOM 741 O6 DG B 24 -2.478 7.165 -15.623 1.00 1.72 O ATOM 742 N1 DG B 24 -4.089 5.568 -15.790 1.00 1.75 N ATOM 743 C2 DG B 24 -4.653 4.452 -16.356 1.00 1.76 C ATOM 744 N2 DG B 24 -5.802 4.033 -15.816 1.00 1.82 N ATOM 745 N3 DG B 24 -4.128 3.794 -17.376 1.00 1.73 N ATOM 746 C4 DG B 24 -2.971 4.349 -17.792 1.00 1.70 C ATOM 0 H5' DG B 24 0.536 0.060 -19.932 1.00 1.52 H new ATOM 0 H5'' DG B 24 0.267 -0.011 -21.662 1.00 1.52 H new ATOM 0 H4' DG B 24 -1.798 -0.071 -20.448 1.00 1.59 H new ATOM 0 H3' DG B 24 -1.401 1.681 -22.613 1.00 1.77 H new ATOM 0 H2' DG B 24 -1.621 3.739 -21.408 1.00 1.82 H new ATOM 0 H2'' DG B 24 -3.326 3.362 -21.559 1.00 1.82 H new ATOM 0 HO3' DG B 24 -3.657 1.396 -22.833 1.00 1.85 H new ATOM 0 H1' DG B 24 -3.475 2.441 -19.436 1.00 1.70 H new ATOM 0 H8 DG B 24 -0.316 4.652 -19.618 1.00 1.68 H new ATOM 0 H1 DG B 24 -4.581 5.998 -15.007 1.00 1.75 H new ATOM 0 H21 DG B 24 -6.271 3.209 -16.192 1.00 1.82 H new ATOM 0 H22 DG B 24 -6.209 4.537 -15.029 1.00 1.82 H new TER 759 DG B 24 HETATM 760 PT1 CPT A 77 2.952 -2.337 -0.261 1.00 0.55 PT HETATM 761 N1 CPT A 77 1.843 -3.243 -1.697 1.00 0.65 N HETATM 762 N2 CPT A 77 1.673 -3.070 1.130 1.00 0.58 N CONECT 166 760 CONECT 199 760 CONECT 760 166 199 761 762 CONECT 761 760 763 764 767 CONECT 762 760 765 766 768 CONECT 763 761 CONECT 764 761 CONECT 765 762 CONECT 766 762 CONECT 767 761 CONECT 768 762 END