USER MOD reduce.3.24.130724 H: found=0, std=0, add=282, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 286 hydrogens (14 hets) HEADER DNA 15-FEB-08 2K0U TITLE HIGH RESOLUTION SOLUTION NMR STRUCTURES OF OXALIPLATIN-DNA ADDUCT COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA (5'-D(*DCP*DCP*DTP*DCP*DTP*DGP*DGP*DTP*DCP*DTP*DCP*DC) COMPND 3 3'); COMPND 4 CHAIN: A; COMPND 5 ENGINEERED: YES; COMPND 6 MOL_ID: 2; COMPND 7 MOLECULE: DNA (5'-D(*DGP*DGP*DAP*DGP*DAP*DCP*DCP*DAP*DGP*DAP*DGP*DG) COMPND 8 3'); COMPND 9 CHAIN: B; COMPND 0 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 MOL_ID: 2; SOURCE 4 SYNTHETIC: YES KEYWDS OXALIPLATIN-DNA ADDUCT, DNA EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR D.BHATTACHARYYA,C.L.KING,S.G.CHANEY,S.L.CAMPBELL REVDAT 2 31-AUG-11 2K0U 1 JRNL VERSN REVDAT 1 03-FEB-09 2K0U 0 JRNL AUTH D.BHATTACHARYYA,S.RAMACHANDRAN,S.SHARMA,W.PATHMASIRI, JRNL AUTH 2 C.L.KING,I.BASKERVILLE-ABRAHAM,G.BOYSEN,J.A.SWENBERG, JRNL AUTH 3 S.L.CAMPBELL,N.V.DOKHOLYAN,S.G.CHANEY JRNL TITL FLANKING BASES INFLUENCE THE NATURE OF DNA DISTORTION BY JRNL TITL 2 PLATINUM 1,2-INTRASTRAND (GG) CROSS-LINKS. JRNL REF PLOS ONE V. 6 23582 2011 JRNL REFN ESSN 1932-6203 JRNL PMID 21853154 JRNL DOI 10.1371/JOURNAL.PONE.0023582 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS REMARK 3 AUTHORS : BRUNGER A. T. ET.AL. REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: ENERGY BASED REFINEMENT WITH NOE REMARK 3 DISTANCE CONSTRAINTS REMARK 4 REMARK 4 2K0U COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 12-MAR-08. REMARK 100 THE RCSB ID CODE IS RCSB100533. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 6.8 REMARK 210 IONIC STRENGTH : 50 MM NACL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1 MM MM OXALIPLATIN-DNA ADDUCT, REMARK 210 90% H2O, 10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-1H NOESY; 2D DQF-COSY; 2D REMARK 210 1H-13C HSQC REMARK 210 SPECTROMETER FIELD STRENGTH : 700 MHZ REMARK 210 SPECTROMETER MODEL : UNITY REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 20 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: NULL 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 O2 DC A 9 H22 DG B 16 1.53 REMARK 500 O2 DC A 12 H22 DG B 13 1.54 REMARK 500 H22 DG A 6 O2 DC B 19 1.54 REMARK 500 H22 DG A 7 O2 DC B 18 1.54 REMARK 500 O2 DC A 2 H22 DG B 23 1.55 REMARK 500 O2 DC A 1 H22 DG B 24 1.55 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 1PT A 13 PT REMARK 620 N RES CSSEQI ATOM REMARK 620 1 DG A 6 N7 REMARK 620 2 1PT A 13 N1 92.4 REMARK 620 3 1PT A 13 N2 178.0 85.7 REMARK 620 4 DG A 7 N7 91.7 175.9 90.2 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 1PT A 13 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2K0T RELATED DB: PDB REMARK 900 RELATED ID: 2K0V RELATED DB: PDB REMARK 900 RELATED ID: 2K0W RELATED DB: PDB DBREF 2K0U A 1 12 PDB 2K0U 2K0U 1 12 DBREF 2K0U B 13 24 PDB 2K0U 2K0U 1 12 SEQRES 1 A 12 DC DC DT DC DT DG DG DT DC DT DC DC SEQRES 1 B 12 DG DG DA DG DA DC DC DA DG DA DG DG HET 1PT A 13 23 HETNAM 1PT CYCLOHEXANE-1(R),2(R)-DIAMINE-PLATINUM(II) HETSYN 1PT OXALIPLATIN FORMUL 3 1PT C6 H14 N2 PT 2+ LINK N7 DG A 6 PT 1PT A 13 1555 1555 2.02 LINK N7 DG A 7 PT 1PT A 13 1555 1555 2.01 SITE *** AC1 4 DT A 5 DG A 6 DG A 7 DT A 8 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 20:sc= 0.328 USER MOD Single : A 3 DT C7 :methyl 150:sc= -0.156 (180deg=-0.156) USER MOD Single : A 5 DT C7 :methyl -30:sc= -0.163 (180deg=-0.196) USER MOD Single : A 8 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 10 DT C7 :methyl -30:sc= -0.588 (180deg=-1.09) USER MOD Single : A 12 DC O3' : rot 180:sc= 0 USER MOD Single : B 13 DG O5' : rot -15:sc= 0.532 USER MOD Single : B 24 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -4.646 -9.946 -19.732 1.00 2.17 O ATOM 2 C5' DC A 1 -3.937 -11.013 -19.094 1.00 2.13 C ATOM 3 C4' DC A 1 -2.532 -10.589 -18.732 1.00 1.90 C ATOM 4 O4' DC A 1 -2.079 -9.604 -19.681 1.00 1.85 O ATOM 5 C3' DC A 1 -2.389 -9.923 -17.366 1.00 1.72 C ATOM 6 O3' DC A 1 -1.991 -10.890 -16.388 1.00 1.68 O ATOM 7 C2' DC A 1 -1.289 -8.888 -17.572 1.00 1.51 C ATOM 8 C1' DC A 1 -1.058 -8.832 -19.080 1.00 1.62 C ATOM 9 N1 DC A 1 -1.117 -7.479 -19.660 1.00 1.54 N ATOM 10 C2 DC A 1 0.061 -6.897 -20.137 1.00 1.42 C ATOM 11 O2 DC A 1 1.124 -7.529 -20.048 1.00 1.39 O ATOM 12 N3 DC A 1 0.013 -5.659 -20.682 1.00 1.35 N ATOM 13 C4 DC A 1 -1.150 -5.007 -20.754 1.00 1.41 C ATOM 14 N4 DC A 1 -1.150 -3.790 -21.300 1.00 1.34 N ATOM 15 C5 DC A 1 -2.364 -5.574 -20.269 1.00 1.56 C ATOM 16 C6 DC A 1 -2.302 -6.801 -19.736 1.00 1.62 C ATOM 0 H5' DC A 1 -3.900 -11.878 -19.757 1.00 2.13 H new ATOM 0 H5'' DC A 1 -4.470 -11.323 -18.195 1.00 2.13 H new ATOM 0 H4' DC A 1 -1.957 -11.515 -18.728 1.00 1.90 H new ATOM 0 H3' DC A 1 -3.319 -9.479 -17.010 1.00 1.72 H new ATOM 0 H2' DC A 1 -1.589 -7.914 -17.185 1.00 1.51 H new ATOM 0 H2'' DC A 1 -0.378 -9.174 -17.046 1.00 1.51 H new ATOM 0 HO5' DC A 1 -4.006 -9.290 -20.079 1.00 2.17 H new ATOM 0 H1' DC A 1 -0.050 -9.203 -19.267 1.00 1.62 H new ATOM 0 H41 DC A 1 -2.020 -3.263 -21.371 1.00 1.34 H new ATOM 0 H42 DC A 1 -0.280 -3.386 -21.646 1.00 1.34 H new ATOM 0 H5 DC A 1 -3.298 -5.035 -20.329 1.00 1.56 H new ATOM 0 H6 DC A 1 -3.203 -7.263 -19.360 1.00 1.62 H new ATOM 29 P DC A 2 -2.086 -10.533 -14.822 1.00 1.56 P ATOM 30 OP1 DC A 2 -2.879 -11.592 -14.149 1.00 1.71 O ATOM 31 OP2 DC A 2 -2.507 -9.113 -14.703 1.00 1.49 O ATOM 32 O5' DC A 2 -0.580 -10.638 -14.313 1.00 1.34 O ATOM 33 C5' DC A 2 0.340 -11.549 -14.918 1.00 1.37 C ATOM 34 C4' DC A 2 1.760 -11.092 -14.681 1.00 1.15 C ATOM 35 O4' DC A 2 2.146 -10.170 -15.728 1.00 1.07 O ATOM 36 C3' DC A 2 1.988 -10.327 -13.381 1.00 0.93 C ATOM 37 O3' DC A 2 2.304 -11.229 -12.315 1.00 0.95 O ATOM 38 C2' DC A 2 3.174 -9.449 -13.725 1.00 0.72 C ATOM 39 C1' DC A 2 2.881 -9.083 -15.173 1.00 0.82 C ATOM 40 N1 DC A 2 2.078 -7.860 -15.338 1.00 0.76 N ATOM 41 C2 DC A 2 2.721 -6.680 -15.717 1.00 0.58 C ATOM 42 O2 DC A 2 3.946 -6.700 -15.902 1.00 0.54 O ATOM 43 N3 DC A 2 1.995 -5.550 -15.871 1.00 0.53 N ATOM 44 C4 DC A 2 0.677 -5.571 -15.661 1.00 0.70 C ATOM 45 N4 DC A 2 0.001 -4.434 -15.820 1.00 0.71 N ATOM 46 C5 DC A 2 -0.006 -6.761 -15.275 1.00 0.90 C ATOM 47 C6 DC A 2 0.727 -7.871 -15.126 1.00 0.91 C ATOM 0 H5' DC A 2 0.146 -11.616 -15.988 1.00 1.37 H new ATOM 0 H5'' DC A 2 0.198 -12.548 -14.505 1.00 1.37 H new ATOM 0 H4' DC A 2 2.339 -12.015 -14.650 1.00 1.15 H new ATOM 0 H3' DC A 2 1.118 -9.765 -13.040 1.00 0.93 H new ATOM 0 H2' DC A 2 3.231 -8.569 -13.084 1.00 0.72 H new ATOM 0 H2'' DC A 2 4.120 -9.980 -13.621 1.00 0.72 H new ATOM 0 H1' DC A 2 3.834 -8.893 -15.666 1.00 0.82 H new ATOM 0 H41 DC A 2 -1.007 -4.415 -15.668 1.00 0.71 H new ATOM 0 H42 DC A 2 0.492 -3.583 -16.094 1.00 0.71 H new ATOM 0 H5 DC A 2 -1.073 -6.767 -15.109 1.00 0.90 H new ATOM 0 H6 DC A 2 0.243 -8.791 -14.833 1.00 0.91 H new ATOM 59 P DT A 3 1.535 -11.103 -10.907 1.00 0.99 P ATOM 60 OP1 DT A 3 1.370 -12.468 -10.347 1.00 1.17 O ATOM 61 OP2 DT A 3 0.340 -10.244 -11.109 1.00 1.04 O ATOM 62 O5' DT A 3 2.557 -10.304 -9.981 1.00 0.76 O ATOM 63 C5' DT A 3 3.925 -10.703 -9.879 1.00 0.59 C ATOM 64 C4' DT A 3 4.831 -9.503 -10.027 1.00 0.33 C ATOM 65 O4' DT A 3 4.430 -8.739 -11.184 1.00 0.33 O ATOM 66 C3' DT A 3 4.781 -8.507 -8.874 1.00 0.37 C ATOM 67 O3' DT A 3 5.711 -8.880 -7.851 1.00 0.34 O ATOM 68 C2' DT A 3 5.199 -7.205 -9.536 1.00 0.37 C ATOM 69 C1' DT A 3 4.779 -7.373 -10.997 1.00 0.22 C ATOM 70 N1 DT A 3 3.622 -6.543 -11.395 1.00 0.33 N ATOM 71 C2 DT A 3 3.873 -5.250 -11.797 1.00 0.32 C ATOM 72 O2 DT A 3 4.993 -4.770 -11.831 1.00 0.37 O ATOM 73 N3 DT A 3 2.762 -4.536 -12.157 1.00 0.44 N ATOM 74 C4 DT A 3 1.454 -4.972 -12.154 1.00 0.63 C ATOM 75 O4 DT A 3 0.558 -4.212 -12.510 1.00 0.76 O ATOM 76 C5 DT A 3 1.260 -6.337 -11.717 1.00 0.70 C ATOM 77 C7 DT A 3 -0.131 -6.885 -11.645 1.00 0.97 C ATOM 78 C6 DT A 3 2.338 -7.050 -11.364 1.00 0.55 C ATOM 0 H5' DT A 3 4.155 -11.439 -10.650 1.00 0.59 H new ATOM 0 H5'' DT A 3 4.100 -11.184 -8.917 1.00 0.59 H new ATOM 0 H4' DT A 3 5.832 -9.930 -10.085 1.00 0.33 H new ATOM 0 H3' DT A 3 3.807 -8.449 -8.388 1.00 0.37 H new ATOM 0 H2' DT A 3 4.706 -6.349 -9.076 1.00 0.37 H new ATOM 0 H2'' DT A 3 6.273 -7.040 -9.447 1.00 0.37 H new ATOM 0 H1' DT A 3 5.618 -7.051 -11.614 1.00 0.22 H new ATOM 0 H3 DT A 3 2.919 -3.575 -12.461 1.00 0.44 H new ATOM 0 H71 DT A 3 -0.109 -7.959 -11.830 1.00 0.97 H new ATOM 0 H72 DT A 3 -0.546 -6.696 -10.655 1.00 0.97 H new ATOM 0 H73 DT A 3 -0.753 -6.400 -12.397 1.00 0.97 H new ATOM 0 H6 DT A 3 2.196 -8.070 -11.040 1.00 0.55 H new ATOM 91 P DC A 4 5.508 -8.337 -6.350 1.00 0.20 P ATOM 92 OP1 DC A 4 6.482 -9.051 -5.486 1.00 0.27 O ATOM 93 OP2 DC A 4 4.061 -8.387 -6.020 1.00 0.20 O ATOM 94 O5' DC A 4 5.943 -6.806 -6.430 1.00 0.26 O ATOM 95 C5' DC A 4 7.308 -6.437 -6.641 1.00 0.26 C ATOM 96 C4' DC A 4 7.573 -5.065 -6.064 1.00 0.25 C ATOM 97 O4' DC A 4 6.863 -4.080 -6.851 1.00 0.26 O ATOM 98 C3' DC A 4 7.098 -4.864 -4.627 1.00 0.20 C ATOM 99 O3' DC A 4 7.942 -3.927 -3.948 1.00 0.23 O ATOM 100 C2' DC A 4 5.699 -4.302 -4.800 1.00 0.15 C ATOM 101 C1' DC A 4 5.786 -3.524 -6.107 1.00 0.22 C ATOM 102 N1 DC A 4 4.577 -3.604 -6.944 1.00 0.24 N ATOM 103 C2 DC A 4 4.075 -2.435 -7.527 1.00 0.31 C ATOM 104 O2 DC A 4 4.655 -1.359 -7.316 1.00 0.34 O ATOM 105 N3 DC A 4 2.970 -2.507 -8.304 1.00 0.36 N ATOM 106 C4 DC A 4 2.370 -3.683 -8.503 1.00 0.33 C ATOM 107 N4 DC A 4 1.283 -3.706 -9.274 1.00 0.40 N ATOM 108 C5 DC A 4 2.857 -4.887 -7.918 1.00 0.26 C ATOM 109 C6 DC A 4 3.953 -4.802 -7.154 1.00 0.21 C ATOM 0 H5' DC A 4 7.533 -6.441 -7.708 1.00 0.26 H new ATOM 0 H5'' DC A 4 7.967 -7.169 -6.174 1.00 0.26 H new ATOM 0 H4' DC A 4 8.658 -4.959 -6.081 1.00 0.25 H new ATOM 0 H3' DC A 4 7.120 -5.777 -4.033 1.00 0.20 H new ATOM 0 H2' DC A 4 4.952 -5.094 -4.854 1.00 0.15 H new ATOM 0 H2'' DC A 4 5.420 -3.657 -3.967 1.00 0.15 H new ATOM 0 H1' DC A 4 5.919 -2.473 -5.850 1.00 0.22 H new ATOM 0 H41 DC A 4 0.799 -4.587 -9.447 1.00 0.40 H new ATOM 0 H42 DC A 4 0.935 -2.842 -9.691 1.00 0.40 H new ATOM 0 H5 DC A 4 2.361 -5.832 -8.084 1.00 0.26 H new ATOM 0 H6 DC A 4 4.351 -5.695 -6.696 1.00 0.21 H new ATOM 121 P DT A 5 7.978 -3.904 -2.339 1.00 0.24 P ATOM 122 OP1 DT A 5 9.285 -4.449 -1.894 1.00 0.34 O ATOM 123 OP2 DT A 5 6.718 -4.522 -1.849 1.00 0.16 O ATOM 124 O5' DT A 5 7.929 -2.353 -1.976 1.00 0.25 O ATOM 125 C5' DT A 5 8.772 -1.413 -2.646 1.00 0.37 C ATOM 126 C4' DT A 5 8.043 -0.104 -2.843 1.00 0.33 C ATOM 127 O4' DT A 5 6.836 -0.353 -3.603 1.00 0.27 O ATOM 128 C3' DT A 5 7.606 0.591 -1.550 1.00 0.29 C ATOM 129 O3' DT A 5 7.937 1.983 -1.601 1.00 0.30 O ATOM 130 C2' DT A 5 6.099 0.400 -1.513 1.00 0.18 C ATOM 131 C1' DT A 5 5.727 0.261 -2.976 1.00 0.20 C ATOM 132 N1 DT A 5 4.541 -0.579 -3.233 1.00 0.18 N ATOM 133 C2 DT A 5 3.558 -0.091 -4.065 1.00 0.28 C ATOM 134 O2 DT A 5 3.613 1.008 -4.592 1.00 0.32 O ATOM 135 N3 DT A 5 2.500 -0.938 -4.258 1.00 0.36 N ATOM 136 C4 DT A 5 2.327 -2.192 -3.711 1.00 0.37 C ATOM 137 O4 DT A 5 1.314 -2.833 -3.965 1.00 0.49 O ATOM 138 C5 DT A 5 3.392 -2.642 -2.846 1.00 0.26 C ATOM 139 C7 DT A 5 3.291 -3.997 -2.219 1.00 0.30 C ATOM 140 C6 DT A 5 4.437 -1.826 -2.650 1.00 0.16 C ATOM 0 H5' DT A 5 9.081 -1.814 -3.611 1.00 0.37 H new ATOM 0 H5'' DT A 5 9.679 -1.248 -2.064 1.00 0.37 H new ATOM 0 H4' DT A 5 8.755 0.550 -3.346 1.00 0.33 H new ATOM 0 H3' DT A 5 8.097 0.185 -0.666 1.00 0.29 H new ATOM 0 H2' DT A 5 5.820 -0.485 -0.942 1.00 0.18 H new ATOM 0 H2'' DT A 5 5.597 1.250 -1.050 1.00 0.18 H new ATOM 0 H1' DT A 5 5.481 1.253 -3.354 1.00 0.20 H new ATOM 0 H3 DT A 5 1.758 -0.605 -4.874 1.00 0.36 H new ATOM 0 H71 DT A 5 2.242 -4.250 -2.065 1.00 0.30 H new ATOM 0 H72 DT A 5 3.750 -4.737 -2.875 1.00 0.30 H new ATOM 0 H73 DT A 5 3.808 -3.993 -1.259 1.00 0.30 H new ATOM 0 H6 DT A 5 5.236 -2.160 -2.005 1.00 0.16 H new ATOM 153 P DG A 6 8.178 2.797 -0.236 1.00 0.29 P ATOM 154 OP1 DG A 6 9.633 3.051 -0.087 1.00 0.28 O ATOM 155 OP2 DG A 6 7.443 2.085 0.843 1.00 0.29 O ATOM 156 O5' DG A 6 7.442 4.189 -0.480 1.00 0.32 O ATOM 157 C5' DG A 6 8.045 5.213 -1.274 1.00 0.47 C ATOM 158 C4' DG A 6 6.982 6.099 -1.879 1.00 0.42 C ATOM 159 O4' DG A 6 6.213 5.332 -2.839 1.00 0.35 O ATOM 160 C3' DG A 6 5.953 6.639 -0.890 1.00 0.37 C ATOM 161 O3' DG A 6 6.370 7.896 -0.345 1.00 0.44 O ATOM 162 C2' DG A 6 4.721 6.802 -1.759 1.00 0.28 C ATOM 163 C1' DG A 6 4.824 5.589 -2.663 1.00 0.26 C ATOM 164 N9 DG A 6 4.209 4.395 -2.093 1.00 0.19 N ATOM 165 C8 DG A 6 4.712 3.613 -1.086 1.00 0.21 C ATOM 166 N7 DG A 6 3.929 2.626 -0.755 1.00 0.12 N ATOM 167 C5 DG A 6 2.848 2.749 -1.620 1.00 0.07 C ATOM 168 C6 DG A 6 1.678 1.957 -1.749 1.00 0.12 C ATOM 169 O6 DG A 6 1.365 0.942 -1.121 1.00 0.15 O ATOM 170 N1 DG A 6 0.828 2.452 -2.734 1.00 0.19 N ATOM 171 C2 DG A 6 1.078 3.563 -3.506 1.00 0.17 C ATOM 172 N2 DG A 6 0.142 3.897 -4.409 1.00 0.24 N ATOM 173 N3 DG A 6 2.170 4.301 -3.402 1.00 0.12 N ATOM 174 C4 DG A 6 3.003 3.842 -2.446 1.00 0.11 C ATOM 0 H5' DG A 6 8.647 4.764 -2.064 1.00 0.47 H new ATOM 0 H5'' DG A 6 8.719 5.810 -0.660 1.00 0.47 H new ATOM 0 H4' DG A 6 7.533 6.938 -2.304 1.00 0.42 H new ATOM 0 H3' DG A 6 5.796 5.991 -0.028 1.00 0.37 H new ATOM 0 H2' DG A 6 3.802 6.799 -1.172 1.00 0.28 H new ATOM 0 H2'' DG A 6 4.737 7.735 -2.322 1.00 0.28 H new ATOM 0 H1' DG A 6 4.299 5.804 -3.594 1.00 0.26 H new ATOM 0 H8 DG A 6 5.665 3.797 -0.613 1.00 0.21 H new ATOM 0 H1 DG A 6 -0.047 1.953 -2.896 1.00 0.19 H new ATOM 0 H21 DG A 6 0.278 4.712 -5.007 1.00 0.24 H new ATOM 0 H22 DG A 6 -0.705 3.336 -4.497 1.00 0.24 H new ATOM 186 P DG A 7 6.314 8.132 1.247 1.00 0.51 P ATOM 187 OP1 DG A 7 7.075 9.373 1.537 1.00 0.76 O ATOM 188 OP2 DG A 7 6.692 6.864 1.923 1.00 0.44 O ATOM 189 O5' DG A 7 4.774 8.411 1.552 1.00 0.51 O ATOM 190 C5' DG A 7 3.938 9.052 0.587 1.00 0.54 C ATOM 191 C4' DG A 7 2.527 9.182 1.113 1.00 0.56 C ATOM 192 O4' DG A 7 1.785 7.997 0.735 1.00 0.39 O ATOM 193 C3' DG A 7 2.398 9.297 2.633 1.00 0.74 C ATOM 194 O3' DG A 7 1.343 10.207 2.970 1.00 0.70 O ATOM 195 C2' DG A 7 2.056 7.884 3.068 1.00 0.96 C ATOM 196 C1' DG A 7 1.273 7.346 1.885 1.00 0.61 C ATOM 197 N9 DG A 7 1.410 5.908 1.682 1.00 0.47 N ATOM 198 C8 DG A 7 2.572 5.218 1.450 1.00 0.36 C ATOM 199 N7 DG A 7 2.389 3.932 1.311 1.00 0.24 N ATOM 200 C5 DG A 7 1.020 3.766 1.465 1.00 0.31 C ATOM 201 C6 DG A 7 0.234 2.591 1.419 1.00 0.33 C ATOM 202 O6 DG A 7 0.606 1.428 1.246 1.00 0.26 O ATOM 203 N1 DG A 7 -1.115 2.869 1.607 1.00 0.50 N ATOM 204 C2 DG A 7 -1.637 4.121 1.828 1.00 0.61 C ATOM 205 N2 DG A 7 -2.962 4.188 1.995 1.00 0.77 N ATOM 206 N3 DG A 7 -0.911 5.225 1.880 1.00 0.59 N ATOM 207 C4 DG A 7 0.400 4.975 1.689 1.00 0.46 C ATOM 0 H5' DG A 7 3.936 8.478 -0.340 1.00 0.54 H new ATOM 0 H5'' DG A 7 4.336 10.038 0.350 1.00 0.54 H new ATOM 0 H4' DG A 7 2.150 10.110 0.683 1.00 0.56 H new ATOM 0 H3' DG A 7 3.297 9.678 3.117 1.00 0.74 H new ATOM 0 H2' DG A 7 2.951 7.293 3.262 1.00 0.96 H new ATOM 0 H2'' DG A 7 1.463 7.875 3.983 1.00 0.96 H new ATOM 0 H1' DG A 7 0.215 7.533 2.071 1.00 0.61 H new ATOM 0 H8 DG A 7 3.541 5.690 1.388 1.00 0.36 H new ATOM 0 H1 DG A 7 -1.767 2.085 1.579 1.00 0.50 H new ATOM 0 H21 DG A 7 -3.410 5.089 2.163 1.00 0.77 H new ATOM 0 H22 DG A 7 -3.525 3.338 1.955 1.00 0.77 H new ATOM 219 P DT A 8 1.024 10.529 4.514 1.00 0.91 P ATOM 220 OP1 DT A 8 0.604 11.952 4.587 1.00 1.33 O ATOM 221 OP2 DT A 8 2.161 10.057 5.345 1.00 1.15 O ATOM 222 O5' DT A 8 -0.245 9.623 4.843 1.00 0.65 O ATOM 223 C5' DT A 8 -1.238 9.361 3.849 1.00 0.77 C ATOM 224 C4' DT A 8 -2.473 8.763 4.480 1.00 0.45 C ATOM 225 O4' DT A 8 -2.385 7.320 4.391 1.00 0.34 O ATOM 226 C3' DT A 8 -2.675 9.079 5.963 1.00 0.44 C ATOM 227 O3' DT A 8 -4.069 9.242 6.247 1.00 0.34 O ATOM 228 C2' DT A 8 -2.125 7.850 6.663 1.00 0.40 C ATOM 229 C1' DT A 8 -2.469 6.742 5.683 1.00 0.13 C ATOM 230 N1 DT A 8 -1.567 5.573 5.714 1.00 0.16 N ATOM 231 C2 DT A 8 -2.127 4.326 5.559 1.00 0.16 C ATOM 232 O2 DT A 8 -3.322 4.148 5.399 1.00 0.15 O ATOM 233 N3 DT A 8 -1.236 3.289 5.599 1.00 0.24 N ATOM 234 C4 DT A 8 0.127 3.367 5.781 1.00 0.31 C ATOM 235 O4 DT A 8 0.802 2.340 5.776 1.00 0.38 O ATOM 236 C5 DT A 8 0.655 4.704 5.942 1.00 0.32 C ATOM 237 C7 DT A 8 2.124 4.872 6.185 1.00 0.42 C ATOM 238 C6 DT A 8 -0.207 5.736 5.893 1.00 0.25 C ATOM 0 H5' DT A 8 -0.839 8.678 3.099 1.00 0.77 H new ATOM 0 H5'' DT A 8 -1.497 10.285 3.333 1.00 0.77 H new ATOM 0 H4' DT A 8 -3.307 9.203 3.932 1.00 0.45 H new ATOM 0 H3' DT A 8 -2.186 10.000 6.279 1.00 0.44 H new ATOM 0 H2' DT A 8 -1.051 7.925 6.833 1.00 0.40 H new ATOM 0 H2'' DT A 8 -2.591 7.693 7.636 1.00 0.40 H new ATOM 0 H1' DT A 8 -3.454 6.362 5.952 1.00 0.13 H new ATOM 0 H3 DT A 8 -1.624 2.353 5.481 1.00 0.24 H new ATOM 0 H71 DT A 8 2.455 5.825 5.771 1.00 0.42 H new ATOM 0 H72 DT A 8 2.320 4.854 7.257 1.00 0.42 H new ATOM 0 H73 DT A 8 2.668 4.059 5.703 1.00 0.42 H new ATOM 0 H6 DT A 8 0.182 6.738 5.998 1.00 0.25 H new ATOM 251 P DC A 9 -4.532 9.843 7.665 1.00 0.53 P ATOM 252 OP1 DC A 9 -5.476 10.954 7.381 1.00 0.56 O ATOM 253 OP2 DC A 9 -3.326 10.100 8.493 1.00 0.71 O ATOM 254 O5' DC A 9 -5.350 8.653 8.338 1.00 0.55 O ATOM 255 C5' DC A 9 -6.754 8.503 8.115 1.00 0.66 C ATOM 256 C4' DC A 9 -7.237 7.195 8.696 1.00 0.68 C ATOM 257 O4' DC A 9 -6.470 6.119 8.118 1.00 0.70 O ATOM 258 C3' DC A 9 -7.054 7.055 10.204 1.00 0.67 C ATOM 259 O3' DC A 9 -8.242 7.475 10.887 1.00 0.68 O ATOM 260 C2' DC A 9 -6.826 5.565 10.402 1.00 0.64 C ATOM 261 C1' DC A 9 -6.347 5.053 9.047 1.00 0.64 C ATOM 262 N1 DC A 9 -4.945 4.603 9.031 1.00 0.61 N ATOM 263 C2 DC A 9 -4.679 3.236 8.966 1.00 0.55 C ATOM 264 O2 DC A 9 -5.631 2.444 8.938 1.00 0.51 O ATOM 265 N3 DC A 9 -3.396 2.809 8.937 1.00 0.54 N ATOM 266 C4 DC A 9 -2.399 3.696 8.968 1.00 0.59 C ATOM 267 N4 DC A 9 -1.151 3.230 8.935 1.00 0.58 N ATOM 268 C5 DC A 9 -2.639 5.099 9.036 1.00 0.65 C ATOM 269 C6 DC A 9 -3.918 5.504 9.074 1.00 0.66 C ATOM 0 H5' DC A 9 -6.965 8.535 7.046 1.00 0.66 H new ATOM 0 H5'' DC A 9 -7.293 9.333 8.571 1.00 0.66 H new ATOM 0 H4' DC A 9 -8.303 7.164 8.473 1.00 0.68 H new ATOM 0 H3' DC A 9 -6.238 7.663 10.594 1.00 0.67 H new ATOM 0 H2' DC A 9 -6.084 5.379 11.178 1.00 0.64 H new ATOM 0 H2'' DC A 9 -7.743 5.063 10.711 1.00 0.64 H new ATOM 0 H1' DC A 9 -6.959 4.186 8.800 1.00 0.64 H new ATOM 0 H41 DC A 9 -0.364 3.878 8.957 1.00 0.58 H new ATOM 0 H42 DC A 9 -0.983 2.225 8.888 1.00 0.58 H new ATOM 0 H5 DC A 9 -1.824 5.808 9.056 1.00 0.65 H new ATOM 0 H6 DC A 9 -4.139 6.559 9.140 1.00 0.66 H new ATOM 281 P DT A 10 -8.161 7.950 12.422 1.00 0.69 P ATOM 282 OP1 DT A 10 -9.268 8.914 12.643 1.00 0.75 O ATOM 283 OP2 DT A 10 -6.764 8.356 12.721 1.00 0.69 O ATOM 284 O5' DT A 10 -8.480 6.628 13.254 1.00 0.61 O ATOM 285 C5' DT A 10 -9.754 5.985 13.161 1.00 0.64 C ATOM 286 C4' DT A 10 -9.815 4.810 14.111 1.00 0.60 C ATOM 287 O4' DT A 10 -8.805 3.854 13.715 1.00 0.58 O ATOM 288 C3' DT A 10 -9.561 5.147 15.582 1.00 0.57 C ATOM 289 O3' DT A 10 -10.608 4.599 16.390 1.00 0.57 O ATOM 290 C2' DT A 10 -8.230 4.490 15.921 1.00 0.53 C ATOM 291 C1' DT A 10 -7.930 3.536 14.782 1.00 0.53 C ATOM 292 N1 DT A 10 -6.550 3.620 14.265 1.00 0.52 N ATOM 293 C2 DT A 10 -5.818 2.459 14.182 1.00 0.47 C ATOM 294 O2 DT A 10 -6.246 1.373 14.535 1.00 0.43 O ATOM 295 N3 DT A 10 -4.558 2.614 13.669 1.00 0.47 N ATOM 296 C4 DT A 10 -3.969 3.783 13.243 1.00 0.52 C ATOM 297 O4 DT A 10 -2.827 3.761 12.792 1.00 0.54 O ATOM 298 C5 DT A 10 -4.788 4.967 13.366 1.00 0.57 C ATOM 299 C7 DT A 10 -4.224 6.285 12.934 1.00 0.63 C ATOM 300 C6 DT A 10 -6.025 4.833 13.867 1.00 0.56 C ATOM 0 H5' DT A 10 -9.925 5.646 12.139 1.00 0.64 H new ATOM 0 H5'' DT A 10 -10.546 6.695 13.398 1.00 0.64 H new ATOM 0 H4' DT A 10 -10.835 4.431 14.044 1.00 0.60 H new ATOM 0 H3' DT A 10 -9.537 6.222 15.763 1.00 0.57 H new ATOM 0 H2' DT A 10 -7.442 5.236 16.022 1.00 0.53 H new ATOM 0 H2'' DT A 10 -8.289 3.957 16.870 1.00 0.53 H new ATOM 0 H1' DT A 10 -8.062 2.527 15.172 1.00 0.53 H new ATOM 0 H3 DT A 10 -3.992 1.768 13.594 1.00 0.47 H new ATOM 0 H71 DT A 10 -3.143 6.282 13.075 1.00 0.63 H new ATOM 0 H72 DT A 10 -4.452 6.451 11.881 1.00 0.63 H new ATOM 0 H73 DT A 10 -4.665 7.083 13.531 1.00 0.63 H new ATOM 0 H6 DT A 10 -6.639 5.716 13.964 1.00 0.56 H new ATOM 313 P DC A 11 -10.731 5.025 17.935 1.00 0.55 P ATOM 314 OP1 DC A 11 -11.989 4.434 18.459 1.00 0.56 O ATOM 315 OP2 DC A 11 -10.510 6.490 18.039 1.00 0.58 O ATOM 316 O5' DC A 11 -9.504 4.284 18.632 1.00 0.48 O ATOM 317 C5' DC A 11 -9.375 2.863 18.576 1.00 0.45 C ATOM 318 C4' DC A 11 -8.066 2.434 19.196 1.00 0.40 C ATOM 319 O4' DC A 11 -7.023 2.407 18.202 1.00 0.38 O ATOM 320 C3' DC A 11 -7.523 3.361 20.275 1.00 0.44 C ATOM 321 O3' DC A 11 -8.081 3.027 21.552 1.00 0.47 O ATOM 322 C2' DC A 11 -6.027 3.082 20.247 1.00 0.38 C ATOM 323 C1' DC A 11 -5.778 2.427 18.885 1.00 0.35 C ATOM 324 N1 DC A 11 -4.805 3.141 18.040 1.00 0.38 N ATOM 325 C2 DC A 11 -3.708 2.438 17.530 1.00 0.34 C ATOM 326 O2 DC A 11 -3.584 1.236 17.803 1.00 0.27 O ATOM 327 N3 DC A 11 -2.810 3.086 16.754 1.00 0.39 N ATOM 328 C4 DC A 11 -2.978 4.380 16.477 1.00 0.47 C ATOM 329 N4 DC A 11 -2.056 4.970 15.707 1.00 0.52 N ATOM 330 C5 DC A 11 -4.091 5.123 16.984 1.00 0.50 C ATOM 331 C6 DC A 11 -4.967 4.468 17.757 1.00 0.46 C ATOM 0 H5' DC A 11 -9.423 2.527 17.540 1.00 0.45 H new ATOM 0 H5'' DC A 11 -10.206 2.394 19.102 1.00 0.45 H new ATOM 0 H4' DC A 11 -8.304 1.463 19.631 1.00 0.40 H new ATOM 0 H3' DC A 11 -7.765 4.410 20.107 1.00 0.44 H new ATOM 0 H2' DC A 11 -5.451 4.001 20.356 1.00 0.38 H new ATOM 0 H2'' DC A 11 -5.732 2.423 21.063 1.00 0.38 H new ATOM 0 H1' DC A 11 -5.360 1.437 19.067 1.00 0.35 H new ATOM 0 H41 DC A 11 -2.146 5.958 15.470 1.00 0.52 H new ATOM 0 H42 DC A 11 -1.264 4.431 15.357 1.00 0.52 H new ATOM 0 H5 DC A 11 -4.219 6.170 16.753 1.00 0.50 H new ATOM 0 H6 DC A 11 -5.816 4.998 18.164 1.00 0.46 H new ATOM 343 P DC A 12 -8.764 4.174 22.452 1.00 0.56 P ATOM 344 OP1 DC A 12 -10.213 3.872 22.568 1.00 0.59 O ATOM 345 OP2 DC A 12 -8.328 5.491 21.921 1.00 0.59 O ATOM 346 O5' DC A 12 -8.099 3.987 23.888 1.00 0.58 O ATOM 347 C5' DC A 12 -7.902 2.687 24.448 1.00 0.57 C ATOM 348 C4' DC A 12 -6.475 2.533 24.918 1.00 0.58 C ATOM 349 O4' DC A 12 -5.599 2.632 23.771 1.00 0.40 O ATOM 350 C3' DC A 12 -6.000 3.596 25.916 1.00 0.77 C ATOM 351 O3' DC A 12 -5.444 2.977 27.078 1.00 1.03 O ATOM 352 C2' DC A 12 -4.923 4.365 25.167 1.00 0.48 C ATOM 353 C1' DC A 12 -4.451 3.365 24.132 1.00 0.35 C ATOM 354 N1 DC A 12 -3.881 3.946 22.904 1.00 0.36 N ATOM 355 C2 DC A 12 -2.762 3.337 22.328 1.00 0.29 C ATOM 356 O2 DC A 12 -2.283 2.330 22.868 1.00 0.21 O ATOM 357 N3 DC A 12 -2.232 3.858 21.197 1.00 0.33 N ATOM 358 C4 DC A 12 -2.777 4.944 20.646 1.00 0.41 C ATOM 359 N4 DC A 12 -2.223 5.429 19.535 1.00 0.46 N ATOM 360 C5 DC A 12 -3.918 5.586 21.211 1.00 0.46 C ATOM 361 C6 DC A 12 -4.432 5.058 22.330 1.00 0.44 C ATOM 0 H5' DC A 12 -8.132 1.924 23.704 1.00 0.57 H new ATOM 0 H5'' DC A 12 -8.586 2.535 25.283 1.00 0.57 H new ATOM 0 H4' DC A 12 -6.442 1.568 25.424 1.00 0.58 H new ATOM 0 H3' DC A 12 -6.813 4.237 26.257 1.00 0.77 H new ATOM 0 H2' DC A 12 -5.320 5.269 24.704 1.00 0.48 H new ATOM 0 H2'' DC A 12 -4.114 4.674 25.828 1.00 0.48 H new ATOM 0 HO3' DC A 12 -5.144 3.668 27.705 1.00 1.03 H new ATOM 0 H1' DC A 12 -3.644 2.782 24.576 1.00 0.35 H new ATOM 0 H41 DC A 12 -2.616 6.258 19.089 1.00 0.46 H new ATOM 0 H42 DC A 12 -1.406 4.971 19.131 1.00 0.46 H new ATOM 0 H5 DC A 12 -4.351 6.464 20.755 1.00 0.46 H new ATOM 0 H6 DC A 12 -5.296 5.518 22.786 1.00 0.44 H new TER 374 DC A 12 ATOM 375 O5' DG B 13 5.466 2.548 20.010 1.00 0.87 O ATOM 376 C5' DG B 13 6.514 1.602 20.242 1.00 0.58 C ATOM 377 C4' DG B 13 6.086 0.213 19.831 1.00 0.56 C ATOM 378 O4' DG B 13 4.723 -0.006 20.273 1.00 0.47 O ATOM 379 C3' DG B 13 6.078 -0.037 18.323 1.00 0.60 C ATOM 380 O3' DG B 13 7.279 -0.700 17.915 1.00 0.69 O ATOM 381 C2' DG B 13 4.876 -0.942 18.126 1.00 0.53 C ATOM 382 C1' DG B 13 3.919 -0.430 19.183 1.00 0.45 C ATOM 383 N9 DG B 13 3.104 0.704 18.760 1.00 0.42 N ATOM 384 C8 DG B 13 3.290 1.490 17.650 1.00 0.49 C ATOM 385 N7 DG B 13 2.406 2.442 17.539 1.00 0.47 N ATOM 386 C5 DG B 13 1.581 2.271 18.642 1.00 0.39 C ATOM 387 C6 DG B 13 0.443 3.004 19.058 1.00 0.36 C ATOM 388 O6 DG B 13 -0.082 3.982 18.517 1.00 0.41 O ATOM 389 N1 DG B 13 -0.096 2.493 20.235 1.00 0.28 N ATOM 390 C2 DG B 13 0.402 1.406 20.925 1.00 0.22 C ATOM 391 N2 DG B 13 -0.237 1.043 22.052 1.00 0.15 N ATOM 392 N3 DG B 13 1.460 0.714 20.541 1.00 0.27 N ATOM 393 C4 DG B 13 1.997 1.199 19.403 1.00 0.35 C ATOM 0 H5' DG B 13 6.786 1.606 21.298 1.00 0.58 H new ATOM 0 H5'' DG B 13 7.403 1.893 19.683 1.00 0.58 H new ATOM 0 H4' DG B 13 6.818 -0.456 20.284 1.00 0.56 H new ATOM 0 H3' DG B 13 6.024 0.881 17.737 1.00 0.60 H new ATOM 0 H2' DG B 13 4.460 -0.855 17.122 1.00 0.53 H new ATOM 0 H2'' DG B 13 5.127 -1.992 18.277 1.00 0.53 H new ATOM 0 HO5' DG B 13 4.793 2.152 19.418 1.00 0.87 H new ATOM 0 H1' DG B 13 3.222 -1.234 19.422 1.00 0.45 H new ATOM 0 H8 DG B 13 4.089 1.335 16.940 1.00 0.49 H new ATOM 0 H1 DG B 13 -0.921 2.956 20.616 1.00 0.28 H new ATOM 0 H21 DG B 13 0.097 0.246 22.593 1.00 0.15 H new ATOM 0 H22 DG B 13 -1.055 1.565 22.365 1.00 0.15 H new ATOM 406 P DG B 14 7.707 -0.691 16.365 1.00 0.76 P ATOM 407 OP1 DG B 14 8.890 -1.579 16.230 1.00 0.84 O ATOM 408 OP2 DG B 14 7.795 0.721 15.913 1.00 0.79 O ATOM 409 O5' DG B 14 6.478 -1.381 15.622 1.00 0.70 O ATOM 410 C5' DG B 14 6.171 -2.760 15.834 1.00 0.67 C ATOM 411 C4' DG B 14 4.738 -3.051 15.450 1.00 0.57 C ATOM 412 O4' DG B 14 3.932 -1.861 15.636 1.00 0.52 O ATOM 413 C3' DG B 14 4.537 -3.478 13.991 1.00 0.57 C ATOM 414 O3' DG B 14 3.877 -4.748 13.943 1.00 0.53 O ATOM 415 C2' DG B 14 3.656 -2.388 13.396 1.00 0.54 C ATOM 416 C1' DG B 14 2.963 -1.818 14.612 1.00 0.48 C ATOM 417 N9 DG B 14 2.511 -0.437 14.464 1.00 0.48 N ATOM 418 C8 DG B 14 3.114 0.547 13.721 1.00 0.55 C ATOM 419 N7 DG B 14 2.484 1.688 13.769 1.00 0.56 N ATOM 420 C5 DG B 14 1.393 1.443 14.593 1.00 0.48 C ATOM 421 C6 DG B 14 0.345 2.304 15.009 1.00 0.46 C ATOM 422 O6 DG B 14 0.166 3.494 14.726 1.00 0.51 O ATOM 423 N1 DG B 14 -0.556 1.649 15.841 1.00 0.37 N ATOM 424 C2 DG B 14 -0.461 0.336 16.227 1.00 0.31 C ATOM 425 N2 DG B 14 -1.423 -0.105 17.048 1.00 0.23 N ATOM 426 N3 DG B 14 0.507 -0.481 15.842 1.00 0.34 N ATOM 427 C4 DG B 14 1.395 0.136 15.032 1.00 0.42 C ATOM 0 H5' DG B 14 6.332 -3.017 16.881 1.00 0.67 H new ATOM 0 H5'' DG B 14 6.845 -3.383 15.245 1.00 0.67 H new ATOM 0 H4' DG B 14 4.444 -3.881 16.092 1.00 0.57 H new ATOM 0 H3' DG B 14 5.475 -3.589 13.447 1.00 0.57 H new ATOM 0 H2' DG B 14 4.244 -1.633 12.874 1.00 0.54 H new ATOM 0 H2'' DG B 14 2.944 -2.791 12.676 1.00 0.54 H new ATOM 0 H1' DG B 14 2.061 -2.398 14.806 1.00 0.48 H new ATOM 0 H8 DG B 14 4.020 0.392 13.153 1.00 0.55 H new ATOM 0 H1 DG B 14 -1.349 2.186 16.192 1.00 0.37 H new ATOM 0 H21 DG B 14 -1.412 -1.072 17.373 1.00 0.23 H new ATOM 0 H22 DG B 14 -2.166 0.526 17.348 1.00 0.23 H new ATOM 439 P DA B 15 3.849 -5.587 12.570 1.00 0.61 P ATOM 440 OP1 DA B 15 4.752 -6.756 12.722 1.00 0.68 O ATOM 441 OP2 DA B 15 4.065 -4.634 11.451 1.00 0.73 O ATOM 442 O5' DA B 15 2.351 -6.122 12.482 1.00 0.51 O ATOM 443 C5' DA B 15 1.649 -6.539 13.656 1.00 0.42 C ATOM 444 C4' DA B 15 0.173 -6.254 13.509 1.00 0.44 C ATOM 445 O4' DA B 15 -0.080 -4.886 13.884 1.00 0.40 O ATOM 446 C3' DA B 15 -0.366 -6.390 12.088 1.00 0.47 C ATOM 447 O3' DA B 15 -0.936 -7.691 11.908 1.00 1.03 O ATOM 448 C2' DA B 15 -1.443 -5.319 11.994 1.00 0.32 C ATOM 449 C1' DA B 15 -1.225 -4.411 13.199 1.00 0.31 C ATOM 450 N9 DA B 15 -0.988 -3.010 12.854 1.00 0.33 N ATOM 451 C8 DA B 15 0.116 -2.472 12.242 1.00 0.41 C ATOM 452 N7 DA B 15 0.046 -1.174 12.072 1.00 0.45 N ATOM 453 C5 DA B 15 -1.191 -0.836 12.602 1.00 0.40 C ATOM 454 C6 DA B 15 -1.868 0.391 12.721 1.00 0.43 C ATOM 455 N6 DA B 15 -1.376 1.554 12.290 1.00 0.51 N ATOM 456 N1 DA B 15 -3.088 0.381 13.300 1.00 0.39 N ATOM 457 C2 DA B 15 -3.588 -0.788 13.722 1.00 0.32 C ATOM 458 N3 DA B 15 -3.052 -2.004 13.661 1.00 0.28 N ATOM 459 C4 DA B 15 -1.839 -1.958 13.085 1.00 0.32 C ATOM 0 H5' DA B 15 2.043 -6.018 14.529 1.00 0.42 H new ATOM 0 H5'' DA B 15 1.806 -7.604 13.824 1.00 0.42 H new ATOM 0 H4' DA B 15 -0.320 -6.993 14.140 1.00 0.44 H new ATOM 0 H3' DA B 15 0.405 -6.271 11.326 1.00 0.47 H new ATOM 0 H2' DA B 15 -1.360 -4.760 11.062 1.00 0.32 H new ATOM 0 H2'' DA B 15 -2.439 -5.762 12.012 1.00 0.32 H new ATOM 0 H1' DA B 15 -2.136 -4.441 13.797 1.00 0.31 H new ATOM 0 H8 DA B 15 0.964 -3.063 11.929 1.00 0.41 H new ATOM 0 H61 DA B 15 -1.917 2.411 12.406 1.00 0.51 H new ATOM 0 H62 DA B 15 -0.459 1.586 11.845 1.00 0.51 H new ATOM 0 H2 DA B 15 -4.566 -0.736 14.177 1.00 0.32 H new ATOM 471 P DG B 16 -0.511 -8.587 10.641 1.00 1.43 P ATOM 472 OP1 DG B 16 -0.340 -9.986 11.109 1.00 2.12 O ATOM 473 OP2 DG B 16 0.607 -7.909 9.936 1.00 1.64 O ATOM 474 O5' DG B 16 -1.791 -8.538 9.693 1.00 1.04 O ATOM 475 C5' DG B 16 -3.074 -8.177 10.208 1.00 0.89 C ATOM 476 C4' DG B 16 -3.744 -7.183 9.288 1.00 0.43 C ATOM 477 O4' DG B 16 -3.357 -5.846 9.661 1.00 0.44 O ATOM 478 C3' DG B 16 -3.359 -7.301 7.816 1.00 0.45 C ATOM 479 O3' DG B 16 -4.294 -8.136 7.128 1.00 0.67 O ATOM 480 C2' DG B 16 -3.437 -5.869 7.302 1.00 0.29 C ATOM 481 C1' DG B 16 -3.593 -5.004 8.550 1.00 0.30 C ATOM 482 N9 DG B 16 -2.661 -3.883 8.625 1.00 0.38 N ATOM 483 C8 DG B 16 -1.288 -3.939 8.621 1.00 0.43 C ATOM 484 N7 DG B 16 -0.725 -2.763 8.686 1.00 0.50 N ATOM 485 C5 DG B 16 -1.793 -1.877 8.740 1.00 0.50 C ATOM 486 C6 DG B 16 -1.809 -0.460 8.819 1.00 0.57 C ATOM 487 O6 DG B 16 -0.853 0.322 8.857 1.00 0.64 O ATOM 488 N1 DG B 16 -3.108 0.036 8.853 1.00 0.57 N ATOM 489 C2 DG B 16 -4.248 -0.733 8.814 1.00 0.51 C ATOM 490 N2 DG B 16 -5.420 -0.086 8.856 1.00 0.54 N ATOM 491 N3 DG B 16 -4.244 -2.052 8.738 1.00 0.44 N ATOM 492 C4 DG B 16 -2.993 -2.553 8.706 1.00 0.44 C ATOM 0 H5' DG B 16 -2.967 -7.747 11.204 1.00 0.89 H new ATOM 0 H5'' DG B 16 -3.696 -9.066 10.310 1.00 0.89 H new ATOM 0 H4' DG B 16 -4.808 -7.396 9.395 1.00 0.43 H new ATOM 0 H3' DG B 16 -2.375 -7.746 7.666 1.00 0.45 H new ATOM 0 H2' DG B 16 -2.538 -5.600 6.747 1.00 0.29 H new ATOM 0 H2'' DG B 16 -4.281 -5.739 6.625 1.00 0.29 H new ATOM 0 H1' DG B 16 -4.593 -4.570 8.528 1.00 0.30 H new ATOM 0 H8 DG B 16 -0.731 -4.863 8.569 1.00 0.43 H new ATOM 0 H1 DG B 16 -3.224 1.048 8.911 1.00 0.57 H new ATOM 0 H21 DG B 16 -6.294 -0.611 8.830 1.00 0.54 H new ATOM 0 H22 DG B 16 -5.439 0.932 8.914 1.00 0.54 H new ATOM 504 P DA B 17 -4.052 -8.499 5.580 1.00 1.00 P ATOM 505 OP1 DA B 17 -4.839 -9.716 5.259 1.00 1.06 O ATOM 506 OP2 DA B 17 -2.586 -8.487 5.338 1.00 1.23 O ATOM 507 O5' DA B 17 -4.691 -7.269 4.793 1.00 1.14 O ATOM 508 C5' DA B 17 -6.016 -6.817 5.081 1.00 1.05 C ATOM 509 C4' DA B 17 -6.218 -5.416 4.551 1.00 1.17 C ATOM 510 O4' DA B 17 -5.363 -4.508 5.273 1.00 0.91 O ATOM 511 C3' DA B 17 -5.847 -5.221 3.083 1.00 1.49 C ATOM 512 O3' DA B 17 -7.002 -5.371 2.249 1.00 1.98 O ATOM 513 C2' DA B 17 -5.337 -3.788 3.022 1.00 0.92 C ATOM 514 C1' DA B 17 -5.144 -3.362 4.471 1.00 0.81 C ATOM 515 N9 DA B 17 -3.801 -2.860 4.752 1.00 0.73 N ATOM 516 C8 DA B 17 -2.646 -3.589 4.871 1.00 0.76 C ATOM 517 N7 DA B 17 -1.583 -2.861 5.114 1.00 0.70 N ATOM 518 C5 DA B 17 -2.072 -1.563 5.154 1.00 0.60 C ATOM 519 C6 DA B 17 -1.448 -0.322 5.367 1.00 0.51 C ATOM 520 N6 DA B 17 -0.142 -0.183 5.602 1.00 0.52 N ATOM 521 N1 DA B 17 -2.221 0.785 5.334 1.00 0.42 N ATOM 522 C2 DA B 17 -3.535 0.642 5.114 1.00 0.46 C ATOM 523 N3 DA B 17 -4.238 -0.469 4.907 1.00 0.56 N ATOM 524 C4 DA B 17 -3.437 -1.548 4.936 1.00 0.62 C ATOM 0 H5' DA B 17 -6.188 -6.834 6.157 1.00 1.05 H new ATOM 0 H5'' DA B 17 -6.744 -7.492 4.631 1.00 1.05 H new ATOM 0 H4' DA B 17 -7.285 -5.230 4.672 1.00 1.17 H new ATOM 0 H3' DA B 17 -5.114 -5.949 2.735 1.00 1.49 H new ATOM 0 H2' DA B 17 -4.401 -3.728 2.467 1.00 0.92 H new ATOM 0 H2'' DA B 17 -6.050 -3.139 2.514 1.00 0.92 H new ATOM 0 H1' DA B 17 -5.839 -2.549 4.681 1.00 0.81 H new ATOM 0 H8 DA B 17 -2.615 -4.664 4.774 1.00 0.76 H new ATOM 0 H61 DA B 17 0.254 0.746 5.749 1.00 0.52 H new ATOM 0 H62 DA B 17 0.461 -1.005 5.634 1.00 0.52 H new ATOM 0 H2 DA B 17 -4.105 1.559 5.103 1.00 0.46 H new ATOM 536 P DC B 18 -6.911 -5.009 0.684 1.00 2.35 P ATOM 537 OP1 DC B 18 -8.107 -5.567 0.004 1.00 2.93 O ATOM 538 OP2 DC B 18 -5.555 -5.388 0.209 1.00 2.41 O ATOM 539 O5' DC B 18 -7.013 -3.419 0.646 1.00 2.02 O ATOM 540 C5' DC B 18 -8.267 -2.755 0.819 1.00 2.14 C ATOM 541 C4' DC B 18 -8.063 -1.259 0.869 1.00 1.75 C ATOM 542 O4' DC B 18 -6.949 -0.968 1.740 1.00 1.41 O ATOM 543 C3' DC B 18 -7.713 -0.611 -0.467 1.00 1.51 C ATOM 544 O3' DC B 18 -8.900 -0.155 -1.124 1.00 1.66 O ATOM 545 C2' DC B 18 -6.838 0.568 -0.073 1.00 1.09 C ATOM 546 C1' DC B 18 -6.256 0.187 1.287 1.00 1.15 C ATOM 547 N1 DC B 18 -4.819 -0.132 1.254 1.00 0.99 N ATOM 548 C2 DC B 18 -3.893 0.901 1.429 1.00 0.83 C ATOM 549 O2 DC B 18 -4.306 2.054 1.625 1.00 0.87 O ATOM 550 N3 DC B 18 -2.572 0.618 1.383 1.00 0.68 N ATOM 551 C4 DC B 18 -2.166 -0.638 1.183 1.00 0.69 C ATOM 552 N4 DC B 18 -0.855 -0.870 1.154 1.00 0.57 N ATOM 553 C5 DC B 18 -3.086 -1.709 1.007 1.00 0.87 C ATOM 554 C6 DC B 18 -4.390 -1.414 1.048 1.00 1.00 C ATOM 0 H5' DC B 18 -8.743 -3.095 1.739 1.00 2.14 H new ATOM 0 H5'' DC B 18 -8.938 -3.011 -0.001 1.00 2.14 H new ATOM 0 H4' DC B 18 -9.019 -0.857 1.206 1.00 1.75 H new ATOM 0 H3' DC B 18 -7.219 -1.295 -1.158 1.00 1.51 H new ATOM 0 H2' DC B 18 -6.050 0.738 -0.807 1.00 1.09 H new ATOM 0 H2'' DC B 18 -7.419 1.488 -0.011 1.00 1.09 H new ATOM 0 H1' DC B 18 -6.375 1.049 1.943 1.00 1.15 H new ATOM 0 H41 DC B 18 -0.508 -1.817 1.003 1.00 0.57 H new ATOM 0 H42 DC B 18 -0.198 -0.100 1.282 1.00 0.57 H new ATOM 0 H5 DC B 18 -2.745 -2.721 0.847 1.00 0.87 H new ATOM 0 H6 DC B 18 -5.117 -2.202 0.916 1.00 1.00 H new ATOM 566 P DC B 19 -9.141 -0.509 -2.675 1.00 1.64 P ATOM 567 OP1 DC B 19 -10.429 0.113 -3.076 1.00 1.78 O ATOM 568 OP2 DC B 19 -8.945 -1.970 -2.855 1.00 1.87 O ATOM 569 O5' DC B 19 -7.960 0.249 -3.430 1.00 1.21 O ATOM 570 C5' DC B 19 -8.125 1.589 -3.901 1.00 0.96 C ATOM 571 C4' DC B 19 -7.038 1.931 -4.893 1.00 0.68 C ATOM 572 O4' DC B 19 -5.834 2.269 -4.173 1.00 0.68 O ATOM 573 C3' DC B 19 -6.635 0.797 -5.830 1.00 0.79 C ATOM 574 O3' DC B 19 -7.429 0.845 -7.023 1.00 1.10 O ATOM 575 C2' DC B 19 -5.175 1.093 -6.131 1.00 0.69 C ATOM 576 C1' DC B 19 -4.695 1.940 -4.954 1.00 0.69 C ATOM 577 N1 DC B 19 -3.727 1.270 -4.070 1.00 0.61 N ATOM 578 C2 DC B 19 -2.456 1.830 -3.913 1.00 0.50 C ATOM 579 O2 DC B 19 -2.171 2.860 -4.542 1.00 0.45 O ATOM 580 N3 DC B 19 -1.569 1.236 -3.083 1.00 0.44 N ATOM 581 C4 DC B 19 -1.909 0.122 -2.432 1.00 0.49 C ATOM 582 N4 DC B 19 -1.001 -0.433 -1.629 1.00 0.43 N ATOM 583 C5 DC B 19 -3.196 -0.474 -2.577 1.00 0.60 C ATOM 584 C6 DC B 19 -4.065 0.127 -3.400 1.00 0.66 C ATOM 0 H5' DC B 19 -8.093 2.284 -3.062 1.00 0.96 H new ATOM 0 H5'' DC B 19 -9.103 1.700 -4.369 1.00 0.96 H new ATOM 0 H4' DC B 19 -7.456 2.742 -5.490 1.00 0.68 H new ATOM 0 H3' DC B 19 -6.781 -0.196 -5.405 1.00 0.79 H new ATOM 0 H2' DC B 19 -4.596 0.174 -6.219 1.00 0.69 H new ATOM 0 H2'' DC B 19 -5.067 1.629 -7.074 1.00 0.69 H new ATOM 0 H1' DC B 19 -4.184 2.805 -5.377 1.00 0.69 H new ATOM 0 H41 DC B 19 -1.227 -1.285 -1.116 1.00 0.43 H new ATOM 0 H42 DC B 19 -0.080 -0.006 -1.528 1.00 0.43 H new ATOM 0 H5 DC B 19 -3.460 -1.375 -2.044 1.00 0.60 H new ATOM 0 H6 DC B 19 -5.048 -0.298 -3.537 1.00 0.66 H new ATOM 596 P DA B 20 -7.053 -0.091 -8.276 1.00 1.16 P ATOM 597 OP1 DA B 20 -8.301 -0.308 -9.052 1.00 1.25 O ATOM 598 OP2 DA B 20 -6.283 -1.263 -7.784 1.00 1.24 O ATOM 599 O5' DA B 20 -6.079 0.816 -9.154 1.00 1.15 O ATOM 600 C5' DA B 20 -6.414 2.172 -9.461 1.00 1.15 C ATOM 601 C4' DA B 20 -5.160 2.987 -9.682 1.00 1.12 C ATOM 602 O4' DA B 20 -4.177 2.633 -8.679 1.00 1.04 O ATOM 603 C3' DA B 20 -4.470 2.764 -11.026 1.00 1.17 C ATOM 604 O3' DA B 20 -3.819 3.966 -11.452 1.00 1.19 O ATOM 605 C2' DA B 20 -3.455 1.681 -10.712 1.00 1.08 C ATOM 606 C1' DA B 20 -3.049 2.018 -9.286 1.00 1.00 C ATOM 607 N9 DA B 20 -2.683 0.860 -8.472 1.00 0.94 N ATOM 608 C8 DA B 20 -3.384 -0.312 -8.331 1.00 1.02 C ATOM 609 N7 DA B 20 -2.821 -1.169 -7.515 1.00 0.95 N ATOM 610 C5 DA B 20 -1.667 -0.521 -7.097 1.00 0.80 C ATOM 611 C6 DA B 20 -0.635 -0.903 -6.227 1.00 0.67 C ATOM 612 N6 DA B 20 -0.607 -2.071 -5.589 1.00 0.68 N ATOM 613 N1 DA B 20 0.378 -0.032 -6.029 1.00 0.55 N ATOM 614 C2 DA B 20 0.340 1.146 -6.663 1.00 0.58 C ATOM 615 N3 DA B 20 -0.579 1.622 -7.503 1.00 0.70 N ATOM 616 C4 DA B 20 -1.567 0.728 -7.681 1.00 0.80 C ATOM 0 H5' DA B 20 -6.997 2.603 -8.647 1.00 1.15 H new ATOM 0 H5'' DA B 20 -7.039 2.206 -10.353 1.00 1.15 H new ATOM 0 H4' DA B 20 -5.496 4.023 -9.636 1.00 1.12 H new ATOM 0 H3' DA B 20 -5.153 2.488 -11.829 1.00 1.17 H new ATOM 0 H2' DA B 20 -3.889 0.684 -10.786 1.00 1.08 H new ATOM 0 H2'' DA B 20 -2.605 1.710 -11.394 1.00 1.08 H new ATOM 0 H1' DA B 20 -2.164 2.652 -9.336 1.00 1.00 H new ATOM 0 H8 DA B 20 -4.313 -0.509 -8.845 1.00 1.02 H new ATOM 0 H61 DA B 20 0.171 -2.294 -4.968 1.00 0.68 H new ATOM 0 H62 DA B 20 -1.363 -2.743 -5.721 1.00 0.68 H new ATOM 0 H2 DA B 20 1.173 1.805 -6.466 1.00 0.58 H new ATOM 628 P DG B 21 -3.515 4.202 -13.014 1.00 1.26 P ATOM 629 OP1 DG B 21 -4.429 5.264 -13.506 1.00 1.40 O ATOM 630 OP2 DG B 21 -3.506 2.875 -13.682 1.00 1.27 O ATOM 631 O5' DG B 21 -2.027 4.772 -13.033 1.00 1.20 O ATOM 632 C5' DG B 21 -1.731 6.073 -12.522 1.00 1.23 C ATOM 633 C4' DG B 21 -0.270 6.170 -12.146 1.00 1.14 C ATOM 634 O4' DG B 21 -0.043 5.423 -10.927 1.00 1.01 O ATOM 635 C3' DG B 21 0.704 5.583 -13.165 1.00 1.06 C ATOM 636 O3' DG B 21 1.132 6.591 -14.088 1.00 1.15 O ATOM 637 C2' DG B 21 1.857 5.122 -12.294 1.00 0.96 C ATOM 638 C1' DG B 21 1.144 4.648 -11.038 1.00 0.93 C ATOM 639 N9 DG B 21 0.759 3.240 -11.060 1.00 0.84 N ATOM 640 C8 DG B 21 -0.303 2.683 -11.728 1.00 0.87 C ATOM 641 N7 DG B 21 -0.402 1.394 -11.556 1.00 0.79 N ATOM 642 C5 DG B 21 0.663 1.079 -10.723 1.00 0.69 C ATOM 643 C6 DG B 21 1.073 -0.169 -10.189 1.00 0.57 C ATOM 644 O6 DG B 21 0.560 -1.281 -10.351 1.00 0.54 O ATOM 645 N1 DG B 21 2.205 -0.037 -9.392 1.00 0.50 N ATOM 646 C2 DG B 21 2.859 1.141 -9.142 1.00 0.55 C ATOM 647 N2 DG B 21 3.933 1.058 -8.349 1.00 0.48 N ATOM 648 N3 DG B 21 2.490 2.311 -9.634 1.00 0.66 N ATOM 649 C4 DG B 21 1.391 2.207 -10.410 1.00 0.72 C ATOM 0 H5' DG B 21 -2.352 6.279 -11.650 1.00 1.23 H new ATOM 0 H5'' DG B 21 -1.972 6.828 -13.270 1.00 1.23 H new ATOM 0 H4' DG B 21 -0.079 7.240 -12.064 1.00 1.14 H new ATOM 0 H3' DG B 21 0.276 4.785 -13.772 1.00 1.06 H new ATOM 0 H2' DG B 21 2.427 4.321 -12.765 1.00 0.96 H new ATOM 0 H2'' DG B 21 2.557 5.931 -12.084 1.00 0.96 H new ATOM 0 H1' DG B 21 1.833 4.766 -10.202 1.00 0.93 H new ATOM 0 H8 DG B 21 -0.988 3.255 -12.336 1.00 0.87 H new ATOM 0 H1 DG B 21 2.577 -0.883 -8.960 1.00 0.50 H new ATOM 0 H21 DG B 21 4.466 1.898 -8.123 1.00 0.48 H new ATOM 0 H22 DG B 21 4.219 0.155 -7.971 1.00 0.48 H new ATOM 661 P DA B 22 1.434 6.197 -15.618 1.00 1.09 P ATOM 662 OP1 DA B 22 1.637 7.464 -16.366 1.00 1.22 O ATOM 663 OP2 DA B 22 0.394 5.237 -16.070 1.00 1.01 O ATOM 664 O5' DA B 22 2.828 5.429 -15.552 1.00 1.00 O ATOM 665 C5' DA B 22 3.924 5.954 -14.801 1.00 1.10 C ATOM 666 C4' DA B 22 5.027 4.927 -14.704 1.00 1.18 C ATOM 667 O4' DA B 22 4.734 4.008 -13.627 1.00 1.34 O ATOM 668 C3' DA B 22 5.192 4.052 -15.941 1.00 0.98 C ATOM 669 O3' DA B 22 6.116 4.658 -16.850 1.00 1.00 O ATOM 670 C2' DA B 22 5.753 2.764 -15.370 1.00 1.06 C ATOM 671 C1' DA B 22 5.103 2.683 -13.994 1.00 1.16 C ATOM 672 N9 DA B 22 3.899 1.853 -13.935 1.00 0.96 N ATOM 673 C8 DA B 22 2.605 2.215 -14.220 1.00 0.94 C ATOM 674 N7 DA B 22 1.736 1.248 -14.051 1.00 0.84 N ATOM 675 C5 DA B 22 2.510 0.174 -13.633 1.00 0.74 C ATOM 676 C6 DA B 22 2.185 -1.149 -13.286 1.00 0.64 C ATOM 677 N6 DA B 22 0.942 -1.636 -13.304 1.00 0.71 N ATOM 678 N1 DA B 22 3.193 -1.966 -12.912 1.00 0.55 N ATOM 679 C2 DA B 22 4.441 -1.477 -12.895 1.00 0.64 C ATOM 680 N3 DA B 22 4.871 -0.256 -13.200 1.00 0.81 N ATOM 681 C4 DA B 22 3.844 0.531 -13.563 1.00 0.82 C ATOM 0 H5' DA B 22 3.589 6.235 -13.802 1.00 1.10 H new ATOM 0 H5'' DA B 22 4.301 6.859 -15.277 1.00 1.10 H new ATOM 0 H4' DA B 22 5.936 5.511 -14.560 1.00 1.18 H new ATOM 0 H3' DA B 22 4.270 3.901 -16.503 1.00 0.98 H new ATOM 0 H2' DA B 22 5.496 1.904 -15.988 1.00 1.06 H new ATOM 0 H2'' DA B 22 6.840 2.794 -15.301 1.00 1.06 H new ATOM 0 H1' DA B 22 5.829 2.221 -13.324 1.00 1.16 H new ATOM 0 H8 DA B 22 2.329 3.205 -14.553 1.00 0.94 H new ATOM 0 H61 DA B 22 0.771 -2.606 -13.041 1.00 0.71 H new ATOM 0 H62 DA B 22 0.164 -1.038 -13.581 1.00 0.71 H new ATOM 0 H2 DA B 22 5.207 -2.174 -12.590 1.00 0.64 H new ATOM 693 P DG B 23 5.698 4.889 -18.386 1.00 0.92 P ATOM 694 OP1 DG B 23 6.064 6.285 -18.734 1.00 1.22 O ATOM 695 OP2 DG B 23 4.300 4.426 -18.585 1.00 0.71 O ATOM 696 O5' DG B 23 6.664 3.914 -19.195 1.00 0.83 O ATOM 697 C5' DG B 23 7.925 3.514 -18.656 1.00 1.02 C ATOM 698 C4' DG B 23 8.068 2.012 -18.721 1.00 1.06 C ATOM 699 O4' DG B 23 7.225 1.406 -17.723 1.00 0.93 O ATOM 700 C3' DG B 23 7.624 1.373 -20.031 1.00 0.98 C ATOM 701 O3' DG B 23 8.705 1.361 -20.970 1.00 1.24 O ATOM 702 C2' DG B 23 7.255 -0.040 -19.612 1.00 0.93 C ATOM 703 C1' DG B 23 6.920 0.078 -18.123 1.00 0.86 C ATOM 704 N9 DG B 23 5.519 -0.177 -17.805 1.00 0.61 N ATOM 705 C8 DG B 23 4.476 0.714 -17.864 1.00 0.51 C ATOM 706 N7 DG B 23 3.331 0.190 -17.525 1.00 0.31 N ATOM 707 C5 DG B 23 3.637 -1.131 -17.223 1.00 0.25 C ATOM 708 C6 DG B 23 2.801 -2.194 -16.797 1.00 0.09 C ATOM 709 O6 DG B 23 1.582 -2.181 -16.593 1.00 0.21 O ATOM 710 N1 DG B 23 3.521 -3.368 -16.606 1.00 0.17 N ATOM 711 C2 DG B 23 4.878 -3.503 -16.803 1.00 0.36 C ATOM 712 N2 DG B 23 5.414 -4.712 -16.574 1.00 0.45 N ATOM 713 N3 DG B 23 5.665 -2.519 -17.199 1.00 0.52 N ATOM 714 C4 DG B 23 4.984 -1.371 -17.390 1.00 0.45 C ATOM 0 H5' DG B 23 8.010 3.850 -17.623 1.00 1.02 H new ATOM 0 H5'' DG B 23 8.733 3.988 -19.213 1.00 1.02 H new ATOM 0 H4' DG B 23 9.136 1.842 -18.585 1.00 1.06 H new ATOM 0 H3' DG B 23 6.806 1.902 -20.520 1.00 0.98 H new ATOM 0 H2' DG B 23 6.404 -0.414 -20.182 1.00 0.93 H new ATOM 0 H2'' DG B 23 8.080 -0.732 -19.780 1.00 0.93 H new ATOM 0 H1' DG B 23 7.503 -0.679 -17.599 1.00 0.86 H new ATOM 0 H8 DG B 23 4.592 1.746 -18.161 1.00 0.51 H new ATOM 0 H1 DG B 23 3.005 -4.192 -16.297 1.00 0.17 H new ATOM 0 H21 DG B 23 6.415 -4.860 -16.706 1.00 0.45 H new ATOM 0 H22 DG B 23 4.821 -5.483 -16.267 1.00 0.45 H new ATOM 726 P DG B 24 8.394 1.276 -22.546 1.00 1.33 P ATOM 727 OP1 DG B 24 9.536 1.888 -23.273 1.00 1.62 O ATOM 728 OP2 DG B 24 7.021 1.794 -22.772 1.00 1.12 O ATOM 729 O5' DG B 24 8.388 -0.287 -22.855 1.00 1.38 O ATOM 730 C5' DG B 24 9.495 -1.114 -22.492 1.00 1.53 C ATOM 731 C4' DG B 24 9.239 -2.544 -22.907 1.00 1.57 C ATOM 732 O4' DG B 24 8.172 -3.092 -22.099 1.00 1.33 O ATOM 733 C3' DG B 24 8.779 -2.729 -24.350 1.00 1.74 C ATOM 734 O3' DG B 24 9.896 -2.895 -25.227 1.00 2.04 O ATOM 735 C2' DG B 24 7.962 -4.005 -24.280 1.00 1.73 C ATOM 736 C1' DG B 24 7.358 -3.960 -22.880 1.00 1.43 C ATOM 737 N9 DG B 24 5.990 -3.454 -22.832 1.00 1.28 N ATOM 738 C8 DG B 24 5.540 -2.236 -23.279 1.00 1.20 C ATOM 739 N7 DG B 24 4.259 -2.064 -23.105 1.00 1.11 N ATOM 740 C5 DG B 24 3.835 -3.242 -22.504 1.00 1.13 C ATOM 741 C6 DG B 24 2.543 -3.643 -22.074 1.00 1.13 C ATOM 742 O6 DG B 24 1.479 -3.017 -22.142 1.00 1.11 O ATOM 743 N1 DG B 24 2.563 -4.916 -21.515 1.00 1.19 N ATOM 744 C2 DG B 24 3.677 -5.702 -21.387 1.00 1.24 C ATOM 745 N2 DG B 24 3.486 -6.896 -20.822 1.00 1.29 N ATOM 746 N3 DG B 24 4.886 -5.344 -21.782 1.00 1.27 N ATOM 747 C4 DG B 24 4.892 -4.110 -22.328 1.00 1.22 C ATOM 0 H5' DG B 24 9.657 -1.064 -21.415 1.00 1.53 H new ATOM 0 H5'' DG B 24 10.404 -0.747 -22.969 1.00 1.53 H new ATOM 0 H4' DG B 24 10.202 -3.038 -22.783 1.00 1.57 H new ATOM 0 H3' DG B 24 8.223 -1.875 -24.737 1.00 1.74 H new ATOM 0 H2' DG B 24 7.191 -4.031 -25.050 1.00 1.73 H new ATOM 0 H2'' DG B 24 8.584 -4.889 -24.421 1.00 1.73 H new ATOM 0 HO3' DG B 24 9.576 -3.013 -26.146 1.00 2.04 H new ATOM 0 H1' DG B 24 7.324 -4.984 -22.509 1.00 1.43 H new ATOM 0 H8 DG B 24 6.183 -1.494 -23.730 1.00 1.20 H new ATOM 0 H1 DG B 24 1.679 -5.294 -21.174 1.00 1.19 H new ATOM 0 H21 DG B 24 4.273 -7.532 -20.696 1.00 1.29 H new ATOM 0 H22 DG B 24 2.553 -7.172 -20.516 1.00 1.29 H new TER 760 DG B 24 HETATM 761 PT 1PT A 13 3.689 2.401 1.233 1.00 0.15 PT HETATM 762 N1 1PT A 13 4.984 0.844 1.299 1.00 0.19 N HETATM 763 N2 1PT A 13 3.475 2.109 3.225 1.00 0.29 N HETATM 764 C1 1PT A 13 5.315 0.542 2.776 1.00 0.26 C HETATM 765 C2 1PT A 13 4.028 0.712 3.564 1.00 0.25 C HETATM 766 C3 1PT A 13 4.261 0.520 5.034 1.00 0.36 C HETATM 767 C4 1PT A 13 4.840 -0.849 5.307 1.00 0.32 C HETATM 768 C5 1PT A 13 6.209 -1.080 4.493 1.00 0.34 C HETATM 769 C6 1PT A 13 5.887 -0.822 2.975 1.00 0.26 C HETATM 0 H62 1PT A 13 5.182 -1.572 2.616 1.00 0.26 H new HETATM 0 H61 1PT A 13 6.796 -0.929 2.383 1.00 0.26 H new HETATM 0 H52 1PT A 13 6.986 -0.401 4.844 1.00 0.34 H new HETATM 0 H51 1PT A 13 6.581 -2.094 4.642 1.00 0.34 H new HETATM 0 H42 1PT A 13 5.027 -0.960 6.375 1.00 0.32 H new HETATM 0 H41 1PT A 13 4.116 -1.614 5.028 1.00 0.32 H new HETATM 0 H32 1PT A 13 4.940 1.288 5.403 1.00 0.36 H new HETATM 0 H31 1PT A 13 3.322 0.638 5.575 1.00 0.36 H new HETATM 0 H2 1PT A 13 3.295 -0.047 3.290 1.00 0.25 H new HETATM 0 H1 1PT A 13 6.086 1.231 3.122 1.00 0.26 H new CONECT 166 761 CONECT 199 761 CONECT 761 166 199 762 763 CONECT 762 761 764 770 771 CONECT 763 761 765 772 773 CONECT 764 762 765 769 774 CONECT 765 763 764 766 775 CONECT 766 765 767 776 777 CONECT 767 766 768 778 779 CONECT 768 767 769 780 781 CONECT 769 764 768 782 783 CONECT 770 762 CONECT 771 762 CONECT 772 763 CONECT 773 763 CONECT 774 764 CONECT 775 765 CONECT 776 766 CONECT 777 766 CONECT 778 767 CONECT 779 767 CONECT 780 768 CONECT 781 768 CONECT 782 769 CONECT 783 769 END