USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 288 hydrogens (17 hets) HEADER DNA 23-SEP-08 2K8T TITLE SOLUTION NMR STRUCTURE OF TRANS-4-HYDROXYNONENAL DERIVED DG TITLE 2 ADDUCT OF (6R,8S,11R)-CONFIGURATION OPPOSITE DC COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'- COMPND 3 D(*DGP*DCP*DTP*DAP*DGP*DCP*DGP*DAP*DGP*DTP*DCP*DC)-3'; COMPND 4 CHAIN: A; COMPND 5 ENGINEERED: YES; COMPND 6 MOL_ID: 2; COMPND 7 MOLECULE: 5'- COMPND 8 D(*DGP*DGP*DAP*DCP*DTP*DCP*DGP*DCP*DTP*DAP*DGP*DC)-3'; COMPND 9 CHAIN: B; COMPND 0 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: DNA STRAND A; SOURCE 4 MOL_ID: 2; SOURCE 5 SYNTHETIC: YES; SOURCE 6 OTHER_DETAILS: DNA STRAND B KEYWDS HNE-DG (6R,8S,11R), HNE DERIVED DG ADDUCT, TRANS-4- KEYWDS 2 HYDROXYNONENAL, DNA EXPDTA SOLUTION NMR AUTHOR H.HUANG,H.WANG,N.QI,R.S.LLOYD,C.J.RIZZO,M.P.STONE REVDAT 3 24-FEB-09 2K8T 1 VERSN REVDAT 2 11-NOV-08 2K8T 1 JRNL REVDAT 1 04-NOV-08 2K8T 0 JRNL AUTH H.HUANG,H.WANG,N.QI,R.S.LLOYD,C.J.RIZZO,M.P.STONE JRNL TITL THE STEREOCHEMISTRY OF JRNL TITL 2 TRANS-4-HYDROXYNONENAL-DERIVED EXOCYCLIC JRNL TITL 3 1,N2-2'-DEOXYGUANOSINE ADDUCTS MODULATES FORMATION JRNL TITL 4 OF INTERSTRAND CROSS-LINKS IN THE 5'-CPG-3' JRNL TITL 5 SEQUENCE. JRNL REF BIOCHEMISTRY V. 47 11457 2008 JRNL REFN ISSN 0006-2960 JRNL PMID 18847226 JRNL DOI 10.1021/BI8011143 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : AMBER 7.0 REMARK 3 AUTHORS : CASE, DARDEN, CHEATHAM, III, SIMMERLING, WANG, REMARK 3 DUKE, LUO, ... AND KOLLM REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2K8T COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 08-OCT-08. REMARK 100 THE RCSB ID CODE IS RCSB100820. 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 : 100 REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1 MM DNA (5'-D(*DGP*DCP*DTP* REMARK 210 DAP*DGP*DCP*DGP*DAP*DGP*DTP*DCP*DC)-3'), 1 MM DNA (5'-D(*DGP* REMARK 210 DGP*DAP*DCP*DTP*DCP*DGP*DCP*DTP*DAP*DGP*DC)-3'), 100% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-1H NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 10 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : BACK CALCULATED DATA AGREE REMARK 210 WITH EXPERIMENTAL NOESY REMARK 210 SPECTRUM 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 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 DC A 2 N3 - C2 - O2 ANGL. DEV. = -5.1 DEGREES REMARK 500 DT A 3 O4' - C1' - N1 ANGL. DEV. = 2.0 DEGREES REMARK 500 DT A 3 C6 - C5 - C7 ANGL. DEV. = -4.3 DEGREES REMARK 500 DA A 4 C4 - C5 - C6 ANGL. DEV. = -3.4 DEGREES REMARK 500 DA A 4 C5 - C6 - N1 ANGL. DEV. = 3.7 DEGREES REMARK 500 DA A 4 N1 - C6 - N6 ANGL. DEV. = -5.0 DEGREES REMARK 500 DG A 5 O4' - C1' - N9 ANGL. DEV. = 3.0 DEGREES REMARK 500 DC A 6 N3 - C2 - O2 ANGL. DEV. = -4.9 DEGREES REMARK 500 DA A 8 C4 - C5 - C6 ANGL. DEV. = -3.2 DEGREES REMARK 500 DA A 8 C5 - C6 - N1 ANGL. DEV. = 3.6 DEGREES REMARK 500 DA A 8 N1 - C6 - N6 ANGL. DEV. = -4.7 DEGREES REMARK 500 DG A 9 O4' - C1' - N9 ANGL. DEV. = 2.4 DEGREES REMARK 500 DT A 10 C6 - C5 - C7 ANGL. DEV. = -4.4 DEGREES REMARK 500 DC A 11 N3 - C2 - O2 ANGL. DEV. = -5.0 DEGREES REMARK 500 DC A 12 N3 - C2 - O2 ANGL. DEV. = -5.1 DEGREES REMARK 500 DG B 13 O4' - C1' - N9 ANGL. DEV. = 2.2 DEGREES REMARK 500 DA B 15 C4 - C5 - C6 ANGL. DEV. = -3.1 DEGREES REMARK 500 DA B 15 C5 - C6 - N1 ANGL. DEV. = 3.6 DEGREES REMARK 500 DA B 15 N1 - C6 - N6 ANGL. DEV. = -4.5 DEGREES REMARK 500 DC B 16 O4' - C1' - N1 ANGL. DEV. = 2.0 DEGREES REMARK 500 DC B 16 N3 - C2 - O2 ANGL. DEV. = -4.9 DEGREES REMARK 500 DT B 17 C6 - C5 - C7 ANGL. DEV. = -4.8 DEGREES REMARK 500 DC B 18 N1 - C2 - O2 ANGL. DEV. = 3.9 DEGREES REMARK 500 DC B 18 N3 - C2 - O2 ANGL. DEV. = -5.2 DEGREES REMARK 500 DG B 19 O4' - C1' - N9 ANGL. DEV. = 5.3 DEGREES REMARK 500 DC B 20 N3 - C2 - O2 ANGL. DEV. = -4.9 DEGREES REMARK 500 DT B 21 C6 - C5 - C7 ANGL. DEV. = -3.8 DEGREES REMARK 500 DA B 22 C4 - C5 - C6 ANGL. DEV. = -3.4 DEGREES REMARK 500 DA B 22 C5 - C6 - N1 ANGL. DEV. = 3.5 DEGREES REMARK 500 DA B 22 N1 - C6 - N6 ANGL. DEV. = -4.9 DEGREES REMARK 500 DC B 24 O4' - C1' - N1 ANGL. DEV. = 3.0 DEGREES REMARK 500 DC B 24 N3 - C2 - O2 ANGL. DEV. = -5.1 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 DG A 7 0.06 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HNB A 125 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2K8U RELATED DB: PDB REMARK 900 TRANS-4-HYDROXYNONENAL DERIVED DG ADDUCT OF (6S,8R,11S)- REMARK 900 CONFIGURATION MATCHED WITH DC DBREF 2K8T A 1 12 PDB 2K8T 2K8T 1 12 DBREF 2K8T B 13 24 PDB 2K8T 2K8T 13 24 SEQRES 1 A 12 DG DC DT DA DG DC DG DA DG DT DC DC SEQRES 1 B 12 DG DG DA DC DT DC DG DC DT DA DG DC HET HNB A 125 28 HETNAM HNB (2S,5R)-5-PENTYLTETRAHYDROFURAN-2-OL FORMUL 3 HNB C9 H18 O2 LINK N2 DG A 7 C3 HNB A 125 1555 1555 1.48 SITE *** AC1 5 DG A 7 DA A 8 DG A 9 DG B 19 SITE *** AC1 5 DC B 20 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 NoAdj-H: A 7 DG H21 : A 7 DG N2 : A 125 HNB C3 :(H bumps) USER MOD NoAdj-H: A 125 HNB H3 : A 125 HNB C3 : A 7 DG N2 :(H bumps) USER MOD Single : A 1 DG O5' : rot 180:sc= 0 USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) 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 : A 125 HNB O1 : rot 170:sc= 0 USER MOD Single : B 13 DG O5' : rot 180:sc= 0 USER MOD Single : B 17 DT C7 :methyl 150:sc= -0.119 (180deg=-0.119) USER MOD Single : B 21 DT C7 :methyl 150:sc= -0.051 (180deg=-0.051) USER MOD Single : B 24 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 11.123 -2.994 0.404 1.00 0.00 O ATOM 2 C5' DG A 1 12.245 -2.330 -0.185 1.00 0.00 C ATOM 3 C4' DG A 1 12.123 -0.791 -0.197 1.00 0.00 C ATOM 4 O4' DG A 1 11.007 -0.379 -0.987 1.00 0.00 O ATOM 5 C3' DG A 1 11.977 -0.175 1.202 1.00 0.00 C ATOM 6 O3' DG A 1 12.767 1.010 1.281 1.00 0.00 O ATOM 7 C2' DG A 1 10.474 0.081 1.282 1.00 0.00 C ATOM 8 C1' DG A 1 10.079 0.331 -0.175 1.00 0.00 C ATOM 9 N9 DG A 1 8.699 -0.126 -0.480 1.00 0.00 N ATOM 10 C8 DG A 1 8.148 -1.371 -0.281 1.00 0.00 C ATOM 11 N7 DG A 1 6.913 -1.490 -0.695 1.00 0.00 N ATOM 12 C5 DG A 1 6.613 -0.216 -1.201 1.00 0.00 C ATOM 13 C6 DG A 1 5.421 0.310 -1.819 1.00 0.00 C ATOM 14 O6 DG A 1 4.360 -0.260 -2.084 1.00 0.00 O ATOM 15 N1 DG A 1 5.523 1.642 -2.165 1.00 0.00 N ATOM 16 C2 DG A 1 6.638 2.387 -1.972 1.00 0.00 C ATOM 17 N2 DG A 1 6.596 3.633 -2.356 1.00 0.00 N ATOM 18 N3 DG A 1 7.771 1.943 -1.432 1.00 0.00 N ATOM 19 C4 DG A 1 7.698 0.627 -1.058 1.00 0.00 C ATOM 0 H5' DG A 1 12.368 -2.683 -1.209 1.00 0.00 H new ATOM 0 H5'' DG A 1 13.147 -2.609 0.359 1.00 0.00 H new ATOM 0 H4' DG A 1 13.058 -0.431 -0.626 1.00 0.00 H new ATOM 0 H3' DG A 1 12.323 -0.792 2.031 1.00 0.00 H new ATOM 0 H2' DG A 1 9.943 -0.773 1.701 1.00 0.00 H new ATOM 0 H2'' DG A 1 10.246 0.940 1.913 1.00 0.00 H new ATOM 0 HO5' DG A 1 11.265 -3.963 0.377 1.00 0.00 H new ATOM 0 H1' DG A 1 10.100 1.403 -0.370 1.00 0.00 H new ATOM 0 H8 DG A 1 8.691 -2.183 0.179 1.00 0.00 H new ATOM 0 H1 DG A 1 4.712 2.092 -2.591 1.00 0.00 H new ATOM 0 H21 DG A 1 7.411 4.233 -2.231 1.00 0.00 H new ATOM 0 H22 DG A 1 5.748 4.007 -2.781 1.00 0.00 H new ATOM 32 P DC A 2 12.947 1.859 2.643 1.00 0.00 P ATOM 33 OP1 DC A 2 14.254 2.559 2.571 1.00 0.00 O ATOM 34 OP2 DC A 2 12.672 0.977 3.804 1.00 0.00 O ATOM 35 O5' DC A 2 11.772 2.958 2.553 1.00 0.00 O ATOM 36 C5' DC A 2 11.818 4.002 1.584 1.00 0.00 C ATOM 37 C4' DC A 2 10.540 4.851 1.568 1.00 0.00 C ATOM 38 O4' DC A 2 9.437 4.076 1.114 1.00 0.00 O ATOM 39 C3' DC A 2 10.180 5.457 2.937 1.00 0.00 C ATOM 40 O3' DC A 2 10.256 6.878 2.870 1.00 0.00 O ATOM 41 C2' DC A 2 8.762 4.931 3.175 1.00 0.00 C ATOM 42 C1' DC A 2 8.276 4.528 1.782 1.00 0.00 C ATOM 43 N1 DC A 2 7.261 3.436 1.798 1.00 0.00 N ATOM 44 C2 DC A 2 6.003 3.648 1.218 1.00 0.00 C ATOM 45 O2 DC A 2 5.657 4.743 0.772 1.00 0.00 O ATOM 46 N3 DC A 2 5.100 2.641 1.135 1.00 0.00 N ATOM 47 C4 DC A 2 5.422 1.465 1.629 1.00 0.00 C ATOM 48 N4 DC A 2 4.535 0.526 1.481 1.00 0.00 N ATOM 49 C5 DC A 2 6.665 1.191 2.259 1.00 0.00 C ATOM 50 C6 DC A 2 7.563 2.205 2.328 1.00 0.00 C ATOM 0 H5' DC A 2 11.974 3.569 0.596 1.00 0.00 H new ATOM 0 H5'' DC A 2 12.674 4.645 1.789 1.00 0.00 H new ATOM 0 H4' DC A 2 10.747 5.677 0.888 1.00 0.00 H new ATOM 0 H3' DC A 2 10.849 5.185 3.754 1.00 0.00 H new ATOM 0 H2' DC A 2 8.761 4.082 3.859 1.00 0.00 H new ATOM 0 H2'' DC A 2 8.122 5.695 3.615 1.00 0.00 H new ATOM 0 H1' DC A 2 7.785 5.374 1.301 1.00 0.00 H new ATOM 0 H41 DC A 2 4.719 -0.411 1.840 1.00 0.00 H new ATOM 0 H42 DC A 2 3.655 0.726 1.006 1.00 0.00 H new ATOM 0 H5 DC A 2 6.886 0.215 2.666 1.00 0.00 H new ATOM 0 H6 DC A 2 8.520 2.044 2.802 1.00 0.00 H new ATOM 62 P DT A 3 10.108 7.824 4.173 1.00 0.00 P ATOM 63 OP1 DT A 3 10.784 9.112 3.879 1.00 0.00 O ATOM 64 OP2 DT A 3 10.518 7.061 5.378 1.00 0.00 O ATOM 65 O5' DT A 3 8.523 8.091 4.260 1.00 0.00 O ATOM 66 C5' DT A 3 7.850 8.823 3.242 1.00 0.00 C ATOM 67 C4' DT A 3 6.323 8.741 3.367 1.00 0.00 C ATOM 68 O4' DT A 3 5.880 7.412 3.115 1.00 0.00 O ATOM 69 C3' DT A 3 5.782 9.176 4.742 1.00 0.00 C ATOM 70 O3' DT A 3 4.871 10.258 4.569 1.00 0.00 O ATOM 71 C2' DT A 3 5.105 7.901 5.251 1.00 0.00 C ATOM 72 C1' DT A 3 4.761 7.177 3.947 1.00 0.00 C ATOM 73 N1 DT A 3 4.526 5.715 4.097 1.00 0.00 N ATOM 74 C2 DT A 3 3.318 5.188 3.602 1.00 0.00 C ATOM 75 O2 DT A 3 2.433 5.862 3.086 1.00 0.00 O ATOM 76 N3 DT A 3 3.134 3.835 3.737 1.00 0.00 N ATOM 77 C4 DT A 3 3.986 2.965 4.384 1.00 0.00 C ATOM 78 O4 DT A 3 3.651 1.782 4.467 1.00 0.00 O ATOM 79 C5 DT A 3 5.210 3.569 4.890 1.00 0.00 C ATOM 80 C7 DT A 3 6.261 2.724 5.599 1.00 0.00 C ATOM 81 C6 DT A 3 5.450 4.898 4.719 1.00 0.00 C ATOM 0 H5' DT A 3 8.152 8.442 2.266 1.00 0.00 H new ATOM 0 H5'' DT A 3 8.159 9.867 3.286 1.00 0.00 H new ATOM 0 H4' DT A 3 5.934 9.440 2.626 1.00 0.00 H new ATOM 0 H3' DT A 3 6.533 9.542 5.442 1.00 0.00 H new ATOM 0 H2' DT A 3 5.770 7.311 5.882 1.00 0.00 H new ATOM 0 H2'' DT A 3 4.216 8.120 5.842 1.00 0.00 H new ATOM 0 H1' DT A 3 3.819 7.553 3.547 1.00 0.00 H new ATOM 0 H3 DT A 3 2.292 3.437 3.322 1.00 0.00 H new ATOM 0 H71 DT A 3 7.248 3.155 5.432 1.00 0.00 H new ATOM 0 H72 DT A 3 6.050 2.703 6.668 1.00 0.00 H new ATOM 0 H73 DT A 3 6.237 1.708 5.205 1.00 0.00 H new ATOM 0 H6 DT A 3 6.378 5.320 5.075 1.00 0.00 H new ATOM 94 P DA A 4 4.256 11.085 5.812 1.00 0.00 P ATOM 95 OP1 DA A 4 3.926 12.450 5.330 1.00 0.00 O ATOM 96 OP2 DA A 4 5.155 10.942 6.984 1.00 0.00 O ATOM 97 O5' DA A 4 2.882 10.309 6.136 1.00 0.00 O ATOM 98 C5' DA A 4 1.758 10.410 5.268 1.00 0.00 C ATOM 99 C4' DA A 4 0.577 9.536 5.714 1.00 0.00 C ATOM 100 O4' DA A 4 0.846 8.161 5.474 1.00 0.00 O ATOM 101 C3' DA A 4 0.195 9.694 7.198 1.00 0.00 C ATOM 102 O3' DA A 4 -1.120 10.233 7.289 1.00 0.00 O ATOM 103 C2' DA A 4 0.309 8.260 7.726 1.00 0.00 C ATOM 104 C1' DA A 4 0.159 7.419 6.461 1.00 0.00 C ATOM 105 N9 DA A 4 0.759 6.071 6.572 1.00 0.00 N ATOM 106 C8 DA A 4 2.059 5.735 6.876 1.00 0.00 C ATOM 107 N7 DA A 4 2.305 4.449 6.853 1.00 0.00 N ATOM 108 C5 DA A 4 1.053 3.898 6.528 1.00 0.00 C ATOM 109 C6 DA A 4 0.552 2.587 6.332 1.00 0.00 C ATOM 110 N6 DA A 4 1.274 1.484 6.392 1.00 0.00 N ATOM 111 N1 DA A 4 -0.734 2.370 6.047 1.00 0.00 N ATOM 112 C2 DA A 4 -1.531 3.422 5.923 1.00 0.00 C ATOM 113 N3 DA A 4 -1.211 4.705 6.052 1.00 0.00 N ATOM 114 C4 DA A 4 0.107 4.877 6.364 1.00 0.00 C ATOM 0 H5' DA A 4 2.057 10.121 4.260 1.00 0.00 H new ATOM 0 H5'' DA A 4 1.435 11.450 5.219 1.00 0.00 H new ATOM 0 H4' DA A 4 -0.265 9.886 5.117 1.00 0.00 H new ATOM 0 H3' DA A 4 0.818 10.378 7.773 1.00 0.00 H new ATOM 0 H2' DA A 4 1.266 8.085 8.217 1.00 0.00 H new ATOM 0 H2'' DA A 4 -0.469 8.035 8.456 1.00 0.00 H new ATOM 0 H1' DA A 4 -0.894 7.243 6.243 1.00 0.00 H new ATOM 0 H8 DA A 4 2.813 6.471 7.114 1.00 0.00 H new ATOM 0 H61 DA A 4 0.833 0.577 6.238 1.00 0.00 H new ATOM 0 H62 DA A 4 2.273 1.538 6.592 1.00 0.00 H new ATOM 0 H2 DA A 4 -2.564 3.211 5.689 1.00 0.00 H new ATOM 126 P DG A 5 -1.809 10.635 8.694 1.00 0.00 P ATOM 127 OP1 DG A 5 -2.736 11.766 8.440 1.00 0.00 O ATOM 128 OP2 DG A 5 -0.758 10.789 9.730 1.00 0.00 O ATOM 129 O5' DG A 5 -2.681 9.327 9.047 1.00 0.00 O ATOM 130 C5' DG A 5 -3.807 8.971 8.254 1.00 0.00 C ATOM 131 C4' DG A 5 -4.416 7.619 8.648 1.00 0.00 C ATOM 132 O4' DG A 5 -3.527 6.553 8.323 1.00 0.00 O ATOM 133 C3' DG A 5 -4.780 7.506 10.141 1.00 0.00 C ATOM 134 O3' DG A 5 -6.156 7.148 10.245 1.00 0.00 O ATOM 135 C2' DG A 5 -3.821 6.413 10.616 1.00 0.00 C ATOM 136 C1' DG A 5 -3.635 5.585 9.349 1.00 0.00 C ATOM 137 N9 DG A 5 -2.436 4.716 9.398 1.00 0.00 N ATOM 138 C8 DG A 5 -1.135 5.059 9.675 1.00 0.00 C ATOM 139 N7 DG A 5 -0.304 4.049 9.697 1.00 0.00 N ATOM 140 C5 DG A 5 -1.123 2.943 9.422 1.00 0.00 C ATOM 141 C6 DG A 5 -0.835 1.535 9.320 1.00 0.00 C ATOM 142 O6 DG A 5 0.242 0.949 9.440 1.00 0.00 O ATOM 143 N1 DG A 5 -1.946 0.760 9.059 1.00 0.00 N ATOM 144 C2 DG A 5 -3.194 1.262 8.906 1.00 0.00 C ATOM 145 N2 DG A 5 -4.166 0.404 8.761 1.00 0.00 N ATOM 146 N3 DG A 5 -3.508 2.551 8.972 1.00 0.00 N ATOM 147 C4 DG A 5 -2.429 3.349 9.236 1.00 0.00 C ATOM 0 H5' DG A 5 -3.510 8.938 7.206 1.00 0.00 H new ATOM 0 H5'' DG A 5 -4.568 9.746 8.345 1.00 0.00 H new ATOM 0 H4' DG A 5 -5.342 7.548 8.077 1.00 0.00 H new ATOM 0 H3' DG A 5 -4.676 8.413 10.736 1.00 0.00 H new ATOM 0 H2' DG A 5 -2.879 6.825 10.977 1.00 0.00 H new ATOM 0 H2'' DG A 5 -4.244 5.824 11.430 1.00 0.00 H new ATOM 0 H1' DG A 5 -4.462 4.891 9.199 1.00 0.00 H new ATOM 0 H8 DG A 5 -0.824 6.077 9.859 1.00 0.00 H new ATOM 0 H1 DG A 5 -1.820 -0.249 8.977 1.00 0.00 H new ATOM 0 H21 DG A 5 -5.124 0.734 8.642 1.00 0.00 H new ATOM 0 H22 DG A 5 -3.968 -0.597 8.766 1.00 0.00 H new ATOM 159 P DC A 6 -6.908 6.893 11.651 1.00 0.00 P ATOM 160 OP1 DC A 6 -8.322 7.316 11.495 1.00 0.00 O ATOM 161 OP2 DC A 6 -6.104 7.476 12.753 1.00 0.00 O ATOM 162 O5' DC A 6 -6.865 5.286 11.779 1.00 0.00 O ATOM 163 C5' DC A 6 -7.533 4.465 10.825 1.00 0.00 C ATOM 164 C4' DC A 6 -7.410 2.962 11.114 1.00 0.00 C ATOM 165 O4' DC A 6 -6.064 2.529 10.963 1.00 0.00 O ATOM 166 C3' DC A 6 -7.890 2.566 12.520 1.00 0.00 C ATOM 167 O3' DC A 6 -8.853 1.524 12.408 1.00 0.00 O ATOM 168 C2' DC A 6 -6.596 2.114 13.196 1.00 0.00 C ATOM 169 C1' DC A 6 -5.762 1.626 12.012 1.00 0.00 C ATOM 170 N1 DC A 6 -4.298 1.639 12.286 1.00 0.00 N ATOM 171 C2 DC A 6 -3.577 0.437 12.257 1.00 0.00 C ATOM 172 O2 DC A 6 -4.119 -0.651 12.059 1.00 0.00 O ATOM 173 N3 DC A 6 -2.234 0.431 12.435 1.00 0.00 N ATOM 174 C4 DC A 6 -1.628 1.575 12.674 1.00 0.00 C ATOM 175 N4 DC A 6 -0.334 1.518 12.798 1.00 0.00 N ATOM 176 C5 DC A 6 -2.300 2.826 12.729 1.00 0.00 C ATOM 177 C6 DC A 6 -3.642 2.821 12.529 1.00 0.00 C ATOM 0 H5' DC A 6 -7.128 4.670 9.834 1.00 0.00 H new ATOM 0 H5'' DC A 6 -8.588 4.737 10.800 1.00 0.00 H new ATOM 0 H4' DC A 6 -8.059 2.474 10.387 1.00 0.00 H new ATOM 0 H3' DC A 6 -8.385 3.356 13.085 1.00 0.00 H new ATOM 0 H2' DC A 6 -6.108 2.931 13.727 1.00 0.00 H new ATOM 0 H2'' DC A 6 -6.773 1.321 13.923 1.00 0.00 H new ATOM 0 H1' DC A 6 -6.003 0.589 11.778 1.00 0.00 H new ATOM 0 H41 DC A 6 0.198 2.368 12.984 1.00 0.00 H new ATOM 0 H42 DC A 6 0.148 0.623 12.709 1.00 0.00 H new ATOM 0 H5 DC A 6 -1.764 3.744 12.922 1.00 0.00 H new ATOM 0 H6 DC A 6 -4.195 3.748 12.561 1.00 0.00 H new ATOM 189 P DG A 7 -9.702 0.984 13.669 1.00 0.00 P ATOM 190 OP1 DG A 7 -11.076 0.686 13.195 1.00 0.00 O ATOM 191 OP2 DG A 7 -9.530 1.915 14.812 1.00 0.00 O ATOM 192 O5' DG A 7 -8.974 -0.403 14.044 1.00 0.00 O ATOM 193 C5' DG A 7 -9.042 -1.529 13.174 1.00 0.00 C ATOM 194 C4' DG A 7 -8.614 -2.846 13.843 1.00 0.00 C ATOM 195 O4' DG A 7 -7.196 -2.929 13.911 1.00 0.00 O ATOM 196 C3' DG A 7 -9.179 -3.031 15.262 1.00 0.00 C ATOM 197 O3' DG A 7 -9.602 -4.383 15.403 1.00 0.00 O ATOM 198 C2' DG A 7 -7.978 -2.631 16.124 1.00 0.00 C ATOM 199 C1' DG A 7 -6.793 -3.066 15.264 1.00 0.00 C ATOM 200 N9 DG A 7 -5.563 -2.263 15.462 1.00 0.00 N ATOM 201 C8 DG A 7 -5.411 -0.901 15.570 1.00 0.00 C ATOM 202 N7 DG A 7 -4.166 -0.495 15.565 1.00 0.00 N ATOM 203 C5 DG A 7 -3.436 -1.689 15.460 1.00 0.00 C ATOM 204 C6 DG A 7 -2.024 -1.955 15.374 1.00 0.00 C ATOM 205 O6 DG A 7 -1.093 -1.153 15.361 1.00 0.00 O ATOM 206 N1 DG A 7 -1.706 -3.299 15.287 1.00 0.00 N ATOM 207 C2 DG A 7 -2.627 -4.303 15.274 1.00 0.00 C ATOM 208 N2 DG A 7 -2.170 -5.544 15.167 1.00 0.00 N ATOM 209 N3 DG A 7 -3.941 -4.084 15.371 1.00 0.00 N ATOM 210 C4 DG A 7 -4.286 -2.769 15.441 1.00 0.00 C ATOM 0 H5' DG A 7 -8.407 -1.348 12.307 1.00 0.00 H new ATOM 0 H5'' DG A 7 -10.063 -1.633 12.805 1.00 0.00 H new ATOM 0 H4' DG A 7 -9.025 -3.638 13.217 1.00 0.00 H new ATOM 0 H3' DG A 7 -10.059 -2.446 15.530 1.00 0.00 H new ATOM 0 H2' DG A 7 -7.962 -1.560 16.325 1.00 0.00 H new ATOM 0 H2'' DG A 7 -7.986 -3.136 17.090 1.00 0.00 H new ATOM 0 H1' DG A 7 -6.539 -4.087 15.549 1.00 0.00 H new ATOM 0 H8 DG A 7 -6.248 -0.223 15.652 1.00 0.00 H new ATOM 0 H1 DG A 7 -0.720 -3.554 15.229 1.00 0.00 H new ATOM 0 H22 DG A 7 -1.167 -5.714 15.099 1.00 0.00 H new ATOM 221 P DA A 8 -10.161 -5.005 16.782 1.00 0.00 P ATOM 222 OP1 DA A 8 -11.100 -6.104 16.449 1.00 0.00 O ATOM 223 OP2 DA A 8 -10.625 -3.908 17.669 1.00 0.00 O ATOM 224 O5' DA A 8 -8.825 -5.646 17.411 1.00 0.00 O ATOM 225 C5' DA A 8 -8.136 -6.683 16.722 1.00 0.00 C ATOM 226 C4' DA A 8 -6.805 -7.055 17.381 1.00 0.00 C ATOM 227 O4' DA A 8 -5.897 -5.968 17.322 1.00 0.00 O ATOM 228 C3' DA A 8 -6.947 -7.490 18.846 1.00 0.00 C ATOM 229 O3' DA A 8 -6.534 -8.850 18.940 1.00 0.00 O ATOM 230 C2' DA A 8 -6.039 -6.499 19.584 1.00 0.00 C ATOM 231 C1' DA A 8 -5.100 -5.999 18.489 1.00 0.00 C ATOM 232 N9 DA A 8 -4.574 -4.634 18.718 1.00 0.00 N ATOM 233 C8 DA A 8 -5.283 -3.466 18.875 1.00 0.00 C ATOM 234 N7 DA A 8 -4.545 -2.386 18.930 1.00 0.00 N ATOM 235 C5 DA A 8 -3.240 -2.898 18.825 1.00 0.00 C ATOM 236 C6 DA A 8 -1.942 -2.330 18.796 1.00 0.00 C ATOM 237 N6 DA A 8 -1.686 -1.038 18.847 1.00 0.00 N ATOM 238 N1 DA A 8 -0.853 -3.094 18.691 1.00 0.00 N ATOM 239 C2 DA A 8 -1.019 -4.406 18.595 1.00 0.00 C ATOM 240 N3 DA A 8 -2.163 -5.083 18.590 1.00 0.00 N ATOM 241 C4 DA A 8 -3.248 -4.263 18.711 1.00 0.00 C ATOM 0 H5' DA A 8 -7.952 -6.369 15.695 1.00 0.00 H new ATOM 0 H5'' DA A 8 -8.772 -7.567 16.676 1.00 0.00 H new ATOM 0 H4' DA A 8 -6.428 -7.907 16.815 1.00 0.00 H new ATOM 0 H3' DA A 8 -7.952 -7.464 19.266 1.00 0.00 H new ATOM 0 H2' DA A 8 -6.610 -5.683 20.027 1.00 0.00 H new ATOM 0 H2'' DA A 8 -5.492 -6.981 20.394 1.00 0.00 H new ATOM 0 H1' DA A 8 -4.228 -6.651 18.440 1.00 0.00 H new ATOM 0 H8 DA A 8 -6.360 -3.442 18.947 1.00 0.00 H new ATOM 0 H61 DA A 8 -0.721 -0.708 18.821 1.00 0.00 H new ATOM 0 H62 DA A 8 -2.453 -0.368 18.912 1.00 0.00 H new ATOM 0 H2 DA A 8 -0.117 -4.995 18.511 1.00 0.00 H new ATOM 253 P DG A 9 -6.676 -9.719 20.289 1.00 0.00 P ATOM 254 OP1 DG A 9 -6.740 -11.152 19.907 1.00 0.00 O ATOM 255 OP2 DG A 9 -7.760 -9.151 21.128 1.00 0.00 O ATOM 256 O5' DG A 9 -5.271 -9.445 21.016 1.00 0.00 O ATOM 257 C5' DG A 9 -4.053 -9.905 20.443 1.00 0.00 C ATOM 258 C4' DG A 9 -2.822 -9.329 21.152 1.00 0.00 C ATOM 259 O4' DG A 9 -2.690 -7.937 20.886 1.00 0.00 O ATOM 260 C3' DG A 9 -2.842 -9.526 22.679 1.00 0.00 C ATOM 261 O3' DG A 9 -1.746 -10.354 23.051 1.00 0.00 O ATOM 262 C2' DG A 9 -2.742 -8.088 23.196 1.00 0.00 C ATOM 263 C1' DG A 9 -2.098 -7.348 22.028 1.00 0.00 C ATOM 264 N9 DG A 9 -2.352 -5.888 22.056 1.00 0.00 N ATOM 265 C8 DG A 9 -3.557 -5.228 22.080 1.00 0.00 C ATOM 266 N7 DG A 9 -3.458 -3.925 22.104 1.00 0.00 N ATOM 267 C5 DG A 9 -2.074 -3.700 22.117 1.00 0.00 C ATOM 268 C6 DG A 9 -1.300 -2.485 22.149 1.00 0.00 C ATOM 269 O6 DG A 9 -1.681 -1.313 22.142 1.00 0.00 O ATOM 270 N1 DG A 9 0.061 -2.702 22.194 1.00 0.00 N ATOM 271 C2 DG A 9 0.631 -3.930 22.174 1.00 0.00 C ATOM 272 N2 DG A 9 1.931 -3.984 22.265 1.00 0.00 N ATOM 273 N3 DG A 9 -0.036 -5.078 22.122 1.00 0.00 N ATOM 274 C4 DG A 9 -1.393 -4.901 22.098 1.00 0.00 C ATOM 0 H5' DG A 9 -4.024 -9.630 19.389 1.00 0.00 H new ATOM 0 H5'' DG A 9 -4.020 -10.993 20.490 1.00 0.00 H new ATOM 0 H4' DG A 9 -1.974 -9.885 20.751 1.00 0.00 H new ATOM 0 H3' DG A 9 -3.720 -10.028 23.085 1.00 0.00 H new ATOM 0 H2' DG A 9 -3.722 -7.679 23.442 1.00 0.00 H new ATOM 0 H2'' DG A 9 -2.134 -8.025 24.098 1.00 0.00 H new ATOM 0 H1' DG A 9 -1.012 -7.438 22.052 1.00 0.00 H new ATOM 0 H8 DG A 9 -4.506 -5.743 22.079 1.00 0.00 H new ATOM 0 H1 DG A 9 0.675 -1.889 22.245 1.00 0.00 H new ATOM 0 H21 DG A 9 2.406 -4.887 22.254 1.00 0.00 H new ATOM 0 H22 DG A 9 2.473 -3.124 22.347 1.00 0.00 H new ATOM 286 P DT A 10 -1.473 -10.821 24.571 1.00 0.00 P ATOM 287 OP1 DT A 10 -0.805 -12.146 24.531 1.00 0.00 O ATOM 288 OP2 DT A 10 -2.718 -10.669 25.366 1.00 0.00 O ATOM 289 O5' DT A 10 -0.408 -9.726 25.078 1.00 0.00 O ATOM 290 C5' DT A 10 0.877 -9.631 24.473 1.00 0.00 C ATOM 291 C4' DT A 10 1.724 -8.491 25.051 1.00 0.00 C ATOM 292 O4' DT A 10 1.168 -7.230 24.701 1.00 0.00 O ATOM 293 C3' DT A 10 1.870 -8.550 26.581 1.00 0.00 C ATOM 294 O3' DT A 10 3.242 -8.722 26.923 1.00 0.00 O ATOM 295 C2' DT A 10 1.300 -7.202 27.026 1.00 0.00 C ATOM 296 C1' DT A 10 1.413 -6.337 25.770 1.00 0.00 C ATOM 297 N1 DT A 10 0.426 -5.223 25.732 1.00 0.00 N ATOM 298 C2 DT A 10 0.903 -3.903 25.722 1.00 0.00 C ATOM 299 O2 DT A 10 2.090 -3.598 25.799 1.00 0.00 O ATOM 300 N3 DT A 10 -0.042 -2.907 25.629 1.00 0.00 N ATOM 301 C4 DT A 10 -1.405 -3.089 25.590 1.00 0.00 C ATOM 302 O4 DT A 10 -2.124 -2.094 25.491 1.00 0.00 O ATOM 303 C5 DT A 10 -1.843 -4.481 25.660 1.00 0.00 C ATOM 304 C7 DT A 10 -3.320 -4.843 25.641 1.00 0.00 C ATOM 305 C6 DT A 10 -0.929 -5.488 25.710 1.00 0.00 C ATOM 0 H5' DT A 10 0.758 -9.481 23.400 1.00 0.00 H new ATOM 0 H5'' DT A 10 1.407 -10.574 24.606 1.00 0.00 H new ATOM 0 H4' DT A 10 2.716 -8.614 24.616 1.00 0.00 H new ATOM 0 H3' DT A 10 1.355 -9.381 27.063 1.00 0.00 H new ATOM 0 H2' DT A 10 0.266 -7.293 27.359 1.00 0.00 H new ATOM 0 H2'' DT A 10 1.867 -6.781 27.856 1.00 0.00 H new ATOM 0 H1' DT A 10 2.390 -5.855 25.727 1.00 0.00 H new ATOM 0 H3 DT A 10 0.299 -1.947 25.585 1.00 0.00 H new ATOM 0 H71 DT A 10 -3.449 -5.822 25.180 1.00 0.00 H new ATOM 0 H72 DT A 10 -3.701 -4.869 26.662 1.00 0.00 H new ATOM 0 H73 DT A 10 -3.870 -4.097 25.067 1.00 0.00 H new ATOM 0 H6 DT A 10 -1.269 -6.513 25.733 1.00 0.00 H new ATOM 318 P DC A 11 3.736 -9.011 28.435 1.00 0.00 P ATOM 319 OP1 DC A 11 4.989 -9.803 28.359 1.00 0.00 O ATOM 320 OP2 DC A 11 2.600 -9.546 29.226 1.00 0.00 O ATOM 321 O5' DC A 11 4.092 -7.545 28.998 1.00 0.00 O ATOM 322 C5' DC A 11 5.204 -6.814 28.489 1.00 0.00 C ATOM 323 C4' DC A 11 5.278 -5.390 29.058 1.00 0.00 C ATOM 324 O4' DC A 11 4.159 -4.638 28.610 1.00 0.00 O ATOM 325 C3' DC A 11 5.323 -5.339 30.595 1.00 0.00 C ATOM 326 O3' DC A 11 6.559 -4.776 31.031 1.00 0.00 O ATOM 327 C2' DC A 11 4.110 -4.476 30.948 1.00 0.00 C ATOM 328 C1' DC A 11 3.763 -3.757 29.642 1.00 0.00 C ATOM 329 N1 DC A 11 2.309 -3.465 29.485 1.00 0.00 N ATOM 330 C2 DC A 11 1.889 -2.148 29.249 1.00 0.00 C ATOM 331 O2 DC A 11 2.669 -1.195 29.262 1.00 0.00 O ATOM 332 N3 DC A 11 0.585 -1.869 29.014 1.00 0.00 N ATOM 333 C4 DC A 11 -0.284 -2.857 29.034 1.00 0.00 C ATOM 334 N4 DC A 11 -1.519 -2.534 28.792 1.00 0.00 N ATOM 335 C5 DC A 11 0.070 -4.210 29.284 1.00 0.00 C ATOM 336 C6 DC A 11 1.381 -4.478 29.509 1.00 0.00 C ATOM 0 H5' DC A 11 5.136 -6.765 27.402 1.00 0.00 H new ATOM 0 H5'' DC A 11 6.125 -7.346 28.727 1.00 0.00 H new ATOM 0 H4' DC A 11 6.214 -4.966 28.695 1.00 0.00 H new ATOM 0 H3' DC A 11 5.276 -6.313 31.082 1.00 0.00 H new ATOM 0 H2' DC A 11 3.277 -5.085 31.300 1.00 0.00 H new ATOM 0 H2'' DC A 11 4.344 -3.767 31.742 1.00 0.00 H new ATOM 0 H1' DC A 11 4.267 -2.791 29.623 1.00 0.00 H new ATOM 0 H41 DC A 11 -2.243 -3.252 28.792 1.00 0.00 H new ATOM 0 H42 DC A 11 -1.764 -1.562 28.602 1.00 0.00 H new ATOM 0 H5 DC A 11 -0.674 -4.993 29.295 1.00 0.00 H new ATOM 0 H6 DC A 11 1.696 -5.492 29.708 1.00 0.00 H new ATOM 348 P DC A 12 7.037 -4.817 32.576 1.00 0.00 P ATOM 349 OP1 DC A 12 8.513 -4.661 32.600 1.00 0.00 O ATOM 350 OP2 DC A 12 6.437 -6.004 33.237 1.00 0.00 O ATOM 351 O5' DC A 12 6.374 -3.499 33.222 1.00 0.00 O ATOM 352 C5' DC A 12 6.866 -2.199 32.914 1.00 0.00 C ATOM 353 C4' DC A 12 5.892 -1.086 33.330 1.00 0.00 C ATOM 354 O4' DC A 12 4.723 -1.125 32.527 1.00 0.00 O ATOM 355 C3' DC A 12 5.405 -1.153 34.786 1.00 0.00 C ATOM 356 O3' DC A 12 6.254 -0.469 35.706 1.00 0.00 O ATOM 357 C2' DC A 12 4.049 -0.450 34.702 1.00 0.00 C ATOM 358 C1' DC A 12 3.698 -0.422 33.206 1.00 0.00 C ATOM 359 N1 DC A 12 2.382 -1.060 32.922 1.00 0.00 N ATOM 360 C2 DC A 12 1.310 -0.266 32.491 1.00 0.00 C ATOM 361 O2 DC A 12 1.418 0.950 32.322 1.00 0.00 O ATOM 362 N3 DC A 12 0.091 -0.809 32.263 1.00 0.00 N ATOM 363 C4 DC A 12 -0.064 -2.102 32.459 1.00 0.00 C ATOM 364 N4 DC A 12 -1.258 -2.565 32.233 1.00 0.00 N ATOM 365 C5 DC A 12 0.974 -2.962 32.906 1.00 0.00 C ATOM 366 C6 DC A 12 2.189 -2.404 33.137 1.00 0.00 C ATOM 0 H5' DC A 12 7.055 -2.130 31.843 1.00 0.00 H new ATOM 0 H5'' DC A 12 7.821 -2.047 33.416 1.00 0.00 H new ATOM 0 H4' DC A 12 6.474 -0.173 33.203 1.00 0.00 H new ATOM 0 H3' DC A 12 5.378 -2.177 35.159 1.00 0.00 H new ATOM 0 H2' DC A 12 3.292 -0.987 35.274 1.00 0.00 H new ATOM 0 H2'' DC A 12 4.103 0.558 35.112 1.00 0.00 H new ATOM 0 HO3' DC A 12 5.887 -0.549 36.611 1.00 0.00 H new ATOM 0 H1' DC A 12 3.622 0.613 32.873 1.00 0.00 H new ATOM 0 H41 DC A 12 -1.453 -3.558 32.364 1.00 0.00 H new ATOM 0 H42 DC A 12 -1.999 -1.936 31.925 1.00 0.00 H new ATOM 0 H5 DC A 12 0.803 -4.018 33.056 1.00 0.00 H new ATOM 0 H6 DC A 12 3.005 -3.016 33.490 1.00 0.00 H new TER 379 DC A 12 ATOM 380 O5' DG B 13 -8.864 6.966 31.399 1.00 0.00 O ATOM 381 C5' DG B 13 -8.235 6.941 30.115 1.00 0.00 C ATOM 382 C4' DG B 13 -6.723 6.652 30.186 1.00 0.00 C ATOM 383 O4' DG B 13 -6.445 5.360 30.706 1.00 0.00 O ATOM 384 C3' DG B 13 -6.078 6.681 28.790 1.00 0.00 C ATOM 385 O3' DG B 13 -5.493 7.953 28.536 1.00 0.00 O ATOM 386 C2' DG B 13 -5.057 5.538 28.840 1.00 0.00 C ATOM 387 C1' DG B 13 -5.143 5.009 30.270 1.00 0.00 C ATOM 388 N9 DG B 13 -4.949 3.542 30.345 1.00 0.00 N ATOM 389 C8 DG B 13 -5.875 2.556 30.103 1.00 0.00 C ATOM 390 N7 DG B 13 -5.442 1.342 30.330 1.00 0.00 N ATOM 391 C5 DG B 13 -4.111 1.539 30.730 1.00 0.00 C ATOM 392 C6 DG B 13 -3.091 0.609 31.144 1.00 0.00 C ATOM 393 O6 DG B 13 -3.155 -0.616 31.271 1.00 0.00 O ATOM 394 N1 DG B 13 -1.888 1.213 31.452 1.00 0.00 N ATOM 395 C2 DG B 13 -1.676 2.549 31.388 1.00 0.00 C ATOM 396 N2 DG B 13 -0.476 2.973 31.676 1.00 0.00 N ATOM 397 N3 DG B 13 -2.590 3.451 31.038 1.00 0.00 N ATOM 398 C4 DG B 13 -3.796 2.884 30.717 1.00 0.00 C ATOM 0 H5' DG B 13 -8.392 7.900 29.622 1.00 0.00 H new ATOM 0 H5'' DG B 13 -8.715 6.182 29.497 1.00 0.00 H new ATOM 0 H4' DG B 13 -6.319 7.429 30.835 1.00 0.00 H new ATOM 0 H3' DG B 13 -6.784 6.542 27.972 1.00 0.00 H new ATOM 0 H2' DG B 13 -5.296 4.761 28.114 1.00 0.00 H new ATOM 0 H2'' DG B 13 -4.053 5.893 28.608 1.00 0.00 H new ATOM 0 HO5' DG B 13 -9.820 7.155 31.292 1.00 0.00 H new ATOM 0 H1' DG B 13 -4.356 5.435 30.892 1.00 0.00 H new ATOM 0 H8 DG B 13 -6.876 2.765 29.755 1.00 0.00 H new ATOM 0 H1 DG B 13 -1.113 0.618 31.745 1.00 0.00 H new ATOM 0 H21 DG B 13 -0.266 3.971 31.642 1.00 0.00 H new ATOM 0 H22 DG B 13 0.252 2.307 31.935 1.00 0.00 H new ATOM 411 P DG B 14 -4.844 8.347 27.108 1.00 0.00 P ATOM 412 OP1 DG B 14 -4.945 9.820 26.956 1.00 0.00 O ATOM 413 OP2 DG B 14 -5.429 7.479 26.057 1.00 0.00 O ATOM 414 O5' DG B 14 -3.289 7.957 27.272 1.00 0.00 O ATOM 415 C5' DG B 14 -2.473 8.601 28.246 1.00 0.00 C ATOM 416 C4' DG B 14 -1.008 8.136 28.222 1.00 0.00 C ATOM 417 O4' DG B 14 -0.912 6.776 28.638 1.00 0.00 O ATOM 418 C3' DG B 14 -0.351 8.272 26.840 1.00 0.00 C ATOM 419 O3' DG B 14 0.965 8.798 26.992 1.00 0.00 O ATOM 420 C2' DG B 14 -0.380 6.832 26.332 1.00 0.00 C ATOM 421 C1' DG B 14 -0.289 6.010 27.618 1.00 0.00 C ATOM 422 N9 DG B 14 -0.971 4.695 27.521 1.00 0.00 N ATOM 423 C8 DG B 14 -2.247 4.423 27.091 1.00 0.00 C ATOM 424 N7 DG B 14 -2.611 3.175 27.232 1.00 0.00 N ATOM 425 C5 DG B 14 -1.469 2.562 27.767 1.00 0.00 C ATOM 426 C6 DG B 14 -1.209 1.200 28.157 1.00 0.00 C ATOM 427 O6 DG B 14 -1.968 0.229 28.149 1.00 0.00 O ATOM 428 N1 DG B 14 0.078 0.989 28.605 1.00 0.00 N ATOM 429 C2 DG B 14 1.015 1.964 28.692 1.00 0.00 C ATOM 430 N2 DG B 14 2.209 1.607 29.076 1.00 0.00 N ATOM 431 N3 DG B 14 0.816 3.241 28.377 1.00 0.00 N ATOM 432 C4 DG B 14 -0.451 3.483 27.917 1.00 0.00 C ATOM 0 H5' DG B 14 -2.889 8.416 29.237 1.00 0.00 H new ATOM 0 H5'' DG B 14 -2.507 9.678 28.082 1.00 0.00 H new ATOM 0 H4' DG B 14 -0.475 8.791 28.911 1.00 0.00 H new ATOM 0 H3' DG B 14 -0.842 8.954 26.146 1.00 0.00 H new ATOM 0 H2' DG B 14 -1.295 6.617 25.780 1.00 0.00 H new ATOM 0 H2'' DG B 14 0.453 6.624 25.661 1.00 0.00 H new ATOM 0 H1' DG B 14 0.761 5.800 27.824 1.00 0.00 H new ATOM 0 H8 DG B 14 -2.896 5.177 26.671 1.00 0.00 H new ATOM 0 H1 DG B 14 0.340 0.044 28.887 1.00 0.00 H new ATOM 0 H21 DG B 14 2.949 2.305 29.157 1.00 0.00 H new ATOM 0 H22 DG B 14 2.403 0.630 29.295 1.00 0.00 H new ATOM 444 P DA B 15 1.904 9.184 25.737 1.00 0.00 P ATOM 445 OP1 DA B 15 2.805 10.283 26.165 1.00 0.00 O ATOM 446 OP2 DA B 15 1.055 9.383 24.536 1.00 0.00 O ATOM 447 O5' DA B 15 2.786 7.854 25.516 1.00 0.00 O ATOM 448 C5' DA B 15 3.758 7.455 26.477 1.00 0.00 C ATOM 449 C4' DA B 15 4.440 6.124 26.130 1.00 0.00 C ATOM 450 O4' DA B 15 3.511 5.051 26.253 1.00 0.00 O ATOM 451 C3' DA B 15 5.043 6.093 24.715 1.00 0.00 C ATOM 452 O3' DA B 15 6.392 5.642 24.797 1.00 0.00 O ATOM 453 C2' DA B 15 4.103 5.128 23.990 1.00 0.00 C ATOM 454 C1' DA B 15 3.625 4.212 25.117 1.00 0.00 C ATOM 455 N9 DA B 15 2.308 3.584 24.857 1.00 0.00 N ATOM 456 C8 DA B 15 1.163 4.167 24.362 1.00 0.00 C ATOM 457 N7 DA B 15 0.122 3.376 24.323 1.00 0.00 N ATOM 458 C5 DA B 15 0.637 2.164 24.810 1.00 0.00 C ATOM 459 C6 DA B 15 0.099 0.876 25.046 1.00 0.00 C ATOM 460 N6 DA B 15 -1.163 0.545 24.854 1.00 0.00 N ATOM 461 N1 DA B 15 0.854 -0.114 25.526 1.00 0.00 N ATOM 462 C2 DA B 15 2.132 0.141 25.772 1.00 0.00 C ATOM 463 N3 DA B 15 2.780 1.290 25.606 1.00 0.00 N ATOM 464 C4 DA B 15 1.967 2.275 25.122 1.00 0.00 C ATOM 0 H5' DA B 15 3.280 7.368 27.453 1.00 0.00 H new ATOM 0 H5'' DA B 15 4.516 8.233 26.562 1.00 0.00 H new ATOM 0 H4' DA B 15 5.261 6.015 26.838 1.00 0.00 H new ATOM 0 H3' DA B 15 5.104 7.049 24.196 1.00 0.00 H new ATOM 0 H2' DA B 15 3.273 5.652 23.515 1.00 0.00 H new ATOM 0 H2'' DA B 15 4.619 4.572 23.208 1.00 0.00 H new ATOM 0 H1' DA B 15 4.329 3.389 25.236 1.00 0.00 H new ATOM 0 H8 DA B 15 1.127 5.195 24.032 1.00 0.00 H new ATOM 0 H61 DA B 15 -1.476 -0.406 25.047 1.00 0.00 H new ATOM 0 H62 DA B 15 -1.826 1.240 24.512 1.00 0.00 H new ATOM 0 H2 DA B 15 2.716 -0.684 26.153 1.00 0.00 H new ATOM 476 P DC B 16 7.363 5.527 23.513 1.00 0.00 P ATOM 477 OP1 DC B 16 8.762 5.689 23.981 1.00 0.00 O ATOM 478 OP2 DC B 16 6.860 6.415 22.436 1.00 0.00 O ATOM 479 O5' DC B 16 7.149 3.998 23.056 1.00 0.00 O ATOM 480 C5' DC B 16 7.567 2.925 23.893 1.00 0.00 C ATOM 481 C4' DC B 16 7.044 1.566 23.413 1.00 0.00 C ATOM 482 O4' DC B 16 5.627 1.517 23.480 1.00 0.00 O ATOM 483 C3' DC B 16 7.454 1.204 21.976 1.00 0.00 C ATOM 484 O3' DC B 16 8.496 0.233 21.995 1.00 0.00 O ATOM 485 C2' DC B 16 6.147 0.683 21.367 1.00 0.00 C ATOM 486 C1' DC B 16 5.209 0.526 22.565 1.00 0.00 C ATOM 487 N1 DC B 16 3.774 0.718 22.213 1.00 0.00 N ATOM 488 C2 DC B 16 2.900 -0.375 22.274 1.00 0.00 C ATOM 489 O2 DC B 16 3.286 -1.510 22.552 1.00 0.00 O ATOM 490 N3 DC B 16 1.581 -0.222 22.015 1.00 0.00 N ATOM 491 C4 DC B 16 1.140 0.969 21.674 1.00 0.00 C ATOM 492 N4 DC B 16 -0.146 1.062 21.500 1.00 0.00 N ATOM 493 C5 DC B 16 1.977 2.112 21.558 1.00 0.00 C ATOM 494 C6 DC B 16 3.296 1.950 21.839 1.00 0.00 C ATOM 0 H5' DC B 16 7.219 3.106 24.910 1.00 0.00 H new ATOM 0 H5'' DC B 16 8.656 2.899 23.928 1.00 0.00 H new ATOM 0 H4' DC B 16 7.502 0.842 24.087 1.00 0.00 H new ATOM 0 H3' DC B 16 7.862 2.032 21.396 1.00 0.00 H new ATOM 0 H2' DC B 16 5.743 1.382 20.634 1.00 0.00 H new ATOM 0 H2'' DC B 16 6.298 -0.266 20.853 1.00 0.00 H new ATOM 0 H1' DC B 16 5.267 -0.485 22.968 1.00 0.00 H new ATOM 0 H41 DC B 16 -0.561 1.955 21.234 1.00 0.00 H new ATOM 0 H42 DC B 16 -0.739 0.242 21.629 1.00 0.00 H new ATOM 0 H5 DC B 16 1.580 3.071 21.258 1.00 0.00 H new ATOM 0 H6 DC B 16 3.970 2.791 21.768 1.00 0.00 H new ATOM 506 P DT B 17 9.298 -0.209 20.663 1.00 0.00 P ATOM 507 OP1 DT B 17 10.624 -0.727 21.084 1.00 0.00 O ATOM 508 OP2 DT B 17 9.248 0.899 19.678 1.00 0.00 O ATOM 509 O5' DT B 17 8.433 -1.436 20.081 1.00 0.00 O ATOM 510 C5' DT B 17 8.358 -2.677 20.775 1.00 0.00 C ATOM 511 C4' DT B 17 7.404 -3.675 20.097 1.00 0.00 C ATOM 512 O4' DT B 17 6.060 -3.208 20.201 1.00 0.00 O ATOM 513 C3' DT B 17 7.728 -3.898 18.606 1.00 0.00 C ATOM 514 O3' DT B 17 7.771 -5.287 18.292 1.00 0.00 O ATOM 515 C2' DT B 17 6.562 -3.189 17.926 1.00 0.00 C ATOM 516 C1' DT B 17 5.432 -3.385 18.944 1.00 0.00 C ATOM 517 N1 DT B 17 4.278 -2.453 18.813 1.00 0.00 N ATOM 518 C2 DT B 17 2.976 -2.997 18.874 1.00 0.00 C ATOM 519 O2 DT B 17 2.740 -4.197 18.962 1.00 0.00 O ATOM 520 N3 DT B 17 1.930 -2.113 18.802 1.00 0.00 N ATOM 521 C4 DT B 17 2.033 -0.745 18.620 1.00 0.00 C ATOM 522 O4 DT B 17 0.999 -0.088 18.548 1.00 0.00 O ATOM 523 C5 DT B 17 3.400 -0.251 18.522 1.00 0.00 C ATOM 524 C7 DT B 17 3.678 1.226 18.254 1.00 0.00 C ATOM 525 C6 DT B 17 4.459 -1.092 18.623 1.00 0.00 C ATOM 0 H5' DT B 17 8.025 -2.498 21.797 1.00 0.00 H new ATOM 0 H5'' DT B 17 9.354 -3.116 20.836 1.00 0.00 H new ATOM 0 H4' DT B 17 7.532 -4.625 20.615 1.00 0.00 H new ATOM 0 H3' DT B 17 8.703 -3.521 18.296 1.00 0.00 H new ATOM 0 H2' DT B 17 6.773 -2.134 17.749 1.00 0.00 H new ATOM 0 H2'' DT B 17 6.322 -3.633 16.960 1.00 0.00 H new ATOM 0 H1' DT B 17 4.980 -4.365 18.793 1.00 0.00 H new ATOM 0 H3 DT B 17 0.990 -2.499 18.891 1.00 0.00 H new ATOM 0 H71 DT B 17 4.623 1.509 18.719 1.00 0.00 H new ATOM 0 H72 DT B 17 3.738 1.396 17.179 1.00 0.00 H new ATOM 0 H73 DT B 17 2.873 1.830 18.673 1.00 0.00 H new ATOM 0 H6 DT B 17 5.461 -0.694 18.554 1.00 0.00 H new ATOM 538 P DC B 18 8.327 -5.850 16.885 1.00 0.00 P ATOM 539 OP1 DC B 18 9.219 -6.999 17.176 1.00 0.00 O ATOM 540 OP2 DC B 18 8.854 -4.728 16.075 1.00 0.00 O ATOM 541 O5' DC B 18 7.000 -6.411 16.154 1.00 0.00 O ATOM 542 C5' DC B 18 6.408 -7.641 16.591 1.00 0.00 C ATOM 543 C4' DC B 18 5.036 -7.975 15.986 1.00 0.00 C ATOM 544 O4' DC B 18 4.068 -6.973 16.308 1.00 0.00 O ATOM 545 C3' DC B 18 5.107 -8.135 14.465 1.00 0.00 C ATOM 546 O3' DC B 18 4.303 -9.278 14.136 1.00 0.00 O ATOM 547 C2' DC B 18 4.532 -6.794 14.014 1.00 0.00 C ATOM 548 C1' DC B 18 3.455 -6.556 15.092 1.00 0.00 C ATOM 549 N1 DC B 18 3.021 -5.130 15.241 1.00 0.00 N ATOM 550 C2 DC B 18 1.649 -4.820 15.235 1.00 0.00 C ATOM 551 O2 DC B 18 0.767 -5.683 15.152 1.00 0.00 O ATOM 552 N3 DC B 18 1.235 -3.532 15.309 1.00 0.00 N ATOM 553 C4 DC B 18 2.148 -2.589 15.418 1.00 0.00 C ATOM 554 N4 DC B 18 1.700 -1.369 15.445 1.00 0.00 N ATOM 555 C5 DC B 18 3.541 -2.839 15.508 1.00 0.00 C ATOM 556 C6 DC B 18 3.945 -4.127 15.409 1.00 0.00 C ATOM 0 H5' DC B 18 6.307 -7.609 17.676 1.00 0.00 H new ATOM 0 H5'' DC B 18 7.094 -8.455 16.359 1.00 0.00 H new ATOM 0 H4' DC B 18 4.729 -8.925 16.423 1.00 0.00 H new ATOM 0 H3' DC B 18 6.077 -8.319 14.002 1.00 0.00 H new ATOM 0 H2' DC B 18 5.285 -6.006 14.003 1.00 0.00 H new ATOM 0 H2'' DC B 18 4.107 -6.844 13.011 1.00 0.00 H new ATOM 0 H1' DC B 18 2.551 -7.100 14.818 1.00 0.00 H new ATOM 0 H41 DC B 18 2.351 -0.588 15.528 1.00 0.00 H new ATOM 0 H42 DC B 18 0.697 -1.192 15.383 1.00 0.00 H new ATOM 0 H5 DC B 18 4.249 -2.036 15.649 1.00 0.00 H new ATOM 0 H6 DC B 18 4.997 -4.367 15.462 1.00 0.00 H new ATOM 568 P DG B 19 4.662 -10.247 12.870 1.00 0.00 P ATOM 569 OP1 DG B 19 4.728 -11.680 13.347 1.00 0.00 O ATOM 570 OP2 DG B 19 5.790 -9.710 12.104 1.00 0.00 O ATOM 571 O5' DG B 19 3.353 -10.072 11.931 1.00 0.00 O ATOM 572 C5' DG B 19 2.042 -10.292 12.424 1.00 0.00 C ATOM 573 C4' DG B 19 1.101 -9.224 11.855 1.00 0.00 C ATOM 574 O4' DG B 19 1.381 -7.916 12.371 1.00 0.00 O ATOM 575 C3' DG B 19 1.046 -9.095 10.314 1.00 0.00 C ATOM 576 O3' DG B 19 -0.205 -9.604 9.860 1.00 0.00 O ATOM 577 C2' DG B 19 1.171 -7.580 10.119 1.00 0.00 C ATOM 578 C1' DG B 19 0.735 -7.027 11.479 1.00 0.00 C ATOM 579 N9 DG B 19 1.117 -5.603 11.678 1.00 0.00 N ATOM 580 C8 DG B 19 2.373 -5.052 11.593 1.00 0.00 C ATOM 581 N7 DG B 19 2.415 -3.762 11.789 1.00 0.00 N ATOM 582 C5 DG B 19 1.070 -3.409 11.958 1.00 0.00 C ATOM 583 C6 DG B 19 0.442 -2.124 12.152 1.00 0.00 C ATOM 584 O6 DG B 19 0.956 -1.011 12.279 1.00 0.00 O ATOM 585 N1 DG B 19 -0.934 -2.182 12.166 1.00 0.00 N ATOM 586 C2 DG B 19 -1.636 -3.331 12.038 1.00 0.00 C ATOM 587 N2 DG B 19 -2.936 -3.221 12.006 1.00 0.00 N ATOM 588 N3 DG B 19 -1.104 -4.545 11.904 1.00 0.00 N ATOM 589 C4 DG B 19 0.264 -4.527 11.863 1.00 0.00 C ATOM 0 H5' DG B 19 2.039 -10.252 13.513 1.00 0.00 H new ATOM 0 H5'' DG B 19 1.696 -11.286 12.140 1.00 0.00 H new ATOM 0 H4' DG B 19 0.132 -9.598 12.187 1.00 0.00 H new ATOM 0 H3' DG B 19 1.809 -9.644 9.762 1.00 0.00 H new ATOM 0 H2' DG B 19 2.191 -7.287 9.871 1.00 0.00 H new ATOM 0 H2'' DG B 19 0.531 -7.222 9.312 1.00 0.00 H new ATOM 0 H1' DG B 19 -0.346 -6.992 11.613 1.00 0.00 H new ATOM 0 H8 DG B 19 3.254 -5.639 11.381 1.00 0.00 H new ATOM 0 H1 DG B 19 -1.452 -1.311 12.279 1.00 0.00 H new ATOM 0 H21 DG B 19 -3.516 -4.055 11.911 1.00 0.00 H new ATOM 0 H22 DG B 19 -3.372 -2.301 12.076 1.00 0.00 H new ATOM 601 P DC B 20 -0.640 -9.683 8.309 1.00 0.00 P ATOM 602 OP1 DC B 20 -1.324 -10.983 8.101 1.00 0.00 O ATOM 603 OP2 DC B 20 0.512 -9.328 7.443 1.00 0.00 O ATOM 604 O5' DC B 20 -1.734 -8.505 8.194 1.00 0.00 O ATOM 605 C5' DC B 20 -2.926 -8.560 8.972 1.00 0.00 C ATOM 606 C4' DC B 20 -3.852 -7.361 8.748 1.00 0.00 C ATOM 607 O4' DC B 20 -3.276 -6.181 9.298 1.00 0.00 O ATOM 608 C3' DC B 20 -4.170 -7.122 7.266 1.00 0.00 C ATOM 609 O3' DC B 20 -5.581 -7.040 7.100 1.00 0.00 O ATOM 610 C2' DC B 20 -3.436 -5.814 6.981 1.00 0.00 C ATOM 611 C1' DC B 20 -3.365 -5.133 8.349 1.00 0.00 C ATOM 612 N1 DC B 20 -2.171 -4.253 8.476 1.00 0.00 N ATOM 613 C2 DC B 20 -2.334 -2.870 8.627 1.00 0.00 C ATOM 614 O2 DC B 20 -3.442 -2.335 8.647 1.00 0.00 O ATOM 615 N3 DC B 20 -1.257 -2.057 8.748 1.00 0.00 N ATOM 616 C4 DC B 20 -0.055 -2.593 8.709 1.00 0.00 C ATOM 617 N4 DC B 20 0.937 -1.770 8.870 1.00 0.00 N ATOM 618 C5 DC B 20 0.181 -3.984 8.548 1.00 0.00 C ATOM 619 C6 DC B 20 -0.907 -4.787 8.434 1.00 0.00 C ATOM 0 H5' DC B 20 -2.660 -8.613 10.028 1.00 0.00 H new ATOM 0 H5'' DC B 20 -3.466 -9.476 8.733 1.00 0.00 H new ATOM 0 H4' DC B 20 -4.788 -7.596 9.254 1.00 0.00 H new ATOM 0 H3' DC B 20 -3.856 -7.908 6.580 1.00 0.00 H new ATOM 0 H2' DC B 20 -2.442 -5.994 6.571 1.00 0.00 H new ATOM 0 H2'' DC B 20 -3.974 -5.202 6.257 1.00 0.00 H new ATOM 0 H1' DC B 20 -4.239 -4.499 8.497 1.00 0.00 H new ATOM 0 H41 DC B 20 1.896 -2.117 8.851 1.00 0.00 H new ATOM 0 H42 DC B 20 0.757 -0.777 9.015 1.00 0.00 H new ATOM 0 H5 DC B 20 1.183 -4.386 8.518 1.00 0.00 H new ATOM 0 H6 DC B 20 -0.778 -5.852 8.310 1.00 0.00 H new ATOM 631 P DT B 21 -6.282 -7.000 5.648 1.00 0.00 P ATOM 632 OP1 DT B 21 -7.670 -7.503 5.800 1.00 0.00 O ATOM 633 OP2 DT B 21 -5.390 -7.653 4.658 1.00 0.00 O ATOM 634 O5' DT B 21 -6.340 -5.427 5.317 1.00 0.00 O ATOM 635 C5' DT B 21 -7.159 -4.551 6.083 1.00 0.00 C ATOM 636 C4' DT B 21 -6.981 -3.078 5.689 1.00 0.00 C ATOM 637 O4' DT B 21 -5.698 -2.613 6.088 1.00 0.00 O ATOM 638 C3' DT B 21 -7.141 -2.813 4.180 1.00 0.00 C ATOM 639 O3' DT B 21 -8.148 -1.825 3.982 1.00 0.00 O ATOM 640 C2' DT B 21 -5.742 -2.338 3.781 1.00 0.00 C ATOM 641 C1' DT B 21 -5.229 -1.729 5.088 1.00 0.00 C ATOM 642 N1 DT B 21 -3.751 -1.607 5.173 1.00 0.00 N ATOM 643 C2 DT B 21 -3.206 -0.344 5.478 1.00 0.00 C ATOM 644 O2 DT B 21 -3.869 0.681 5.591 1.00 0.00 O ATOM 645 N3 DT B 21 -1.845 -0.280 5.633 1.00 0.00 N ATOM 646 C4 DT B 21 -0.959 -1.320 5.435 1.00 0.00 C ATOM 647 O4 DT B 21 0.243 -1.090 5.561 1.00 0.00 O ATOM 648 C5 DT B 21 -1.578 -2.591 5.088 1.00 0.00 C ATOM 649 C7 DT B 21 -0.712 -3.821 4.843 1.00 0.00 C ATOM 650 C6 DT B 21 -2.927 -2.700 4.975 1.00 0.00 C ATOM 0 H5' DT B 21 -6.923 -4.671 7.140 1.00 0.00 H new ATOM 0 H5'' DT B 21 -8.204 -4.833 5.956 1.00 0.00 H new ATOM 0 H4' DT B 21 -7.777 -2.541 6.205 1.00 0.00 H new ATOM 0 H3' DT B 21 -7.461 -3.668 3.584 1.00 0.00 H new ATOM 0 H2' DT B 21 -5.114 -3.161 3.440 1.00 0.00 H new ATOM 0 H2'' DT B 21 -5.774 -1.606 2.974 1.00 0.00 H new ATOM 0 H1' DT B 21 -5.587 -0.704 5.186 1.00 0.00 H new ATOM 0 H3 DT B 21 -1.452 0.616 5.920 1.00 0.00 H new ATOM 0 H71 DT B 21 -1.266 -4.717 5.121 1.00 0.00 H new ATOM 0 H72 DT B 21 -0.443 -3.873 3.788 1.00 0.00 H new ATOM 0 H73 DT B 21 0.194 -3.754 5.445 1.00 0.00 H new ATOM 0 H6 DT B 21 -3.364 -3.656 4.726 1.00 0.00 H new ATOM 663 P DA B 22 -8.688 -1.410 2.518 1.00 0.00 P ATOM 664 OP1 DA B 22 -10.062 -0.872 2.676 1.00 0.00 O ATOM 665 OP2 DA B 22 -8.466 -2.538 1.580 1.00 0.00 O ATOM 666 O5' DA B 22 -7.710 -0.202 2.095 1.00 0.00 O ATOM 667 C5' DA B 22 -7.775 1.057 2.755 1.00 0.00 C ATOM 668 C4' DA B 22 -6.677 2.029 2.300 1.00 0.00 C ATOM 669 O4' DA B 22 -5.402 1.630 2.779 1.00 0.00 O ATOM 670 C3' DA B 22 -6.566 2.201 0.774 1.00 0.00 C ATOM 671 O3' DA B 22 -7.011 3.507 0.420 1.00 0.00 O ATOM 672 C2' DA B 22 -5.072 1.971 0.514 1.00 0.00 C ATOM 673 C1' DA B 22 -4.447 2.174 1.891 1.00 0.00 C ATOM 674 N9 DA B 22 -3.151 1.480 2.066 1.00 0.00 N ATOM 675 C8 DA B 22 -2.895 0.129 2.052 1.00 0.00 C ATOM 676 N7 DA B 22 -1.655 -0.188 2.334 1.00 0.00 N ATOM 677 C5 DA B 22 -1.047 1.067 2.518 1.00 0.00 C ATOM 678 C6 DA B 22 0.255 1.513 2.858 1.00 0.00 C ATOM 679 N6 DA B 22 1.275 0.726 3.149 1.00 0.00 N ATOM 680 N1 DA B 22 0.542 2.814 2.937 1.00 0.00 N ATOM 681 C2 DA B 22 -0.434 3.685 2.717 1.00 0.00 C ATOM 682 N3 DA B 22 -1.703 3.426 2.424 1.00 0.00 N ATOM 683 C4 DA B 22 -1.945 2.085 2.335 1.00 0.00 C ATOM 0 H5' DA B 22 -7.693 0.902 3.831 1.00 0.00 H new ATOM 0 H5'' DA B 22 -8.750 1.507 2.572 1.00 0.00 H new ATOM 0 H4' DA B 22 -6.981 2.985 2.726 1.00 0.00 H new ATOM 0 H3' DA B 22 -7.177 1.522 0.180 1.00 0.00 H new ATOM 0 H2' DA B 22 -4.879 0.970 0.127 1.00 0.00 H new ATOM 0 H2'' DA B 22 -4.676 2.677 -0.216 1.00 0.00 H new ATOM 0 H1' DA B 22 -4.223 3.228 2.057 1.00 0.00 H new ATOM 0 H8 DA B 22 -3.652 -0.608 1.828 1.00 0.00 H new ATOM 0 H61 DA B 22 2.181 1.131 3.384 1.00 0.00 H new ATOM 0 H62 DA B 22 1.156 -0.287 3.139 1.00 0.00 H new ATOM 0 H2 DA B 22 -0.165 4.729 2.784 1.00 0.00 H new ATOM 695 P DG B 23 -7.187 3.985 -1.111 1.00 0.00 P ATOM 696 OP1 DG B 23 -8.247 5.024 -1.144 1.00 0.00 O ATOM 697 OP2 DG B 23 -7.329 2.793 -1.983 1.00 0.00 O ATOM 698 O5' DG B 23 -5.775 4.684 -1.440 1.00 0.00 O ATOM 699 C5' DG B 23 -5.401 5.909 -0.819 1.00 0.00 C ATOM 700 C4' DG B 23 -3.997 6.380 -1.222 1.00 0.00 C ATOM 701 O4' DG B 23 -3.005 5.560 -0.612 1.00 0.00 O ATOM 702 C3' DG B 23 -3.758 6.380 -2.744 1.00 0.00 C ATOM 703 O3' DG B 23 -3.337 7.679 -3.152 1.00 0.00 O ATOM 704 C2' DG B 23 -2.681 5.305 -2.900 1.00 0.00 C ATOM 705 C1' DG B 23 -1.965 5.359 -1.552 1.00 0.00 C ATOM 706 N9 DG B 23 -1.218 4.120 -1.223 1.00 0.00 N ATOM 707 C8 DG B 23 -1.660 2.819 -1.257 1.00 0.00 C ATOM 708 N7 DG B 23 -0.766 1.935 -0.898 1.00 0.00 N ATOM 709 C5 DG B 23 0.367 2.713 -0.613 1.00 0.00 C ATOM 710 C6 DG B 23 1.692 2.351 -0.180 1.00 0.00 C ATOM 711 O6 DG B 23 2.157 1.235 0.058 1.00 0.00 O ATOM 712 N1 DG B 23 2.537 3.429 -0.022 1.00 0.00 N ATOM 713 C2 DG B 23 2.172 4.712 -0.253 1.00 0.00 C ATOM 714 N2 DG B 23 3.095 5.624 -0.119 1.00 0.00 N ATOM 715 N3 DG B 23 0.963 5.099 -0.652 1.00 0.00 N ATOM 716 C4 DG B 23 0.096 4.052 -0.815 1.00 0.00 C ATOM 0 H5' DG B 23 -5.441 5.789 0.264 1.00 0.00 H new ATOM 0 H5'' DG B 23 -6.126 6.679 -1.081 1.00 0.00 H new ATOM 0 H4' DG B 23 -3.923 7.411 -0.875 1.00 0.00 H new ATOM 0 H3' DG B 23 -4.629 6.165 -3.363 1.00 0.00 H new ATOM 0 H2' DG B 23 -3.113 4.323 -3.092 1.00 0.00 H new ATOM 0 H2'' DG B 23 -2.006 5.523 -3.727 1.00 0.00 H new ATOM 0 H1' DG B 23 -1.210 6.145 -1.555 1.00 0.00 H new ATOM 0 H8 DG B 23 -2.662 2.549 -1.555 1.00 0.00 H new ATOM 0 H1 DG B 23 3.492 3.249 0.287 1.00 0.00 H new ATOM 0 H21 DG B 23 2.870 6.605 -0.282 1.00 0.00 H new ATOM 0 H22 DG B 23 4.042 5.356 0.149 1.00 0.00 H new ATOM 728 P DC B 24 -3.091 8.079 -4.697 1.00 0.00 P ATOM 729 OP1 DC B 24 -3.337 9.536 -4.837 1.00 0.00 O ATOM 730 OP2 DC B 24 -3.836 7.140 -5.572 1.00 0.00 O ATOM 731 O5' DC B 24 -1.515 7.809 -4.890 1.00 0.00 O ATOM 732 C5' DC B 24 -0.553 8.595 -4.195 1.00 0.00 C ATOM 733 C4' DC B 24 0.871 8.038 -4.324 1.00 0.00 C ATOM 734 O4' DC B 24 0.967 6.769 -3.687 1.00 0.00 O ATOM 735 C3' DC B 24 1.361 7.867 -5.779 1.00 0.00 C ATOM 736 O3' DC B 24 2.504 8.673 -6.064 1.00 0.00 O ATOM 737 C2' DC B 24 1.756 6.392 -5.837 1.00 0.00 C ATOM 738 C1' DC B 24 1.978 6.051 -4.363 1.00 0.00 C ATOM 739 N1 DC B 24 1.888 4.592 -4.076 1.00 0.00 N ATOM 740 C2 DC B 24 3.017 3.921 -3.587 1.00 0.00 C ATOM 741 O2 DC B 24 4.083 4.498 -3.365 1.00 0.00 O ATOM 742 N3 DC B 24 2.982 2.590 -3.343 1.00 0.00 N ATOM 743 C4 DC B 24 1.867 1.936 -3.591 1.00 0.00 C ATOM 744 N4 DC B 24 1.893 0.664 -3.319 1.00 0.00 N ATOM 745 C5 DC B 24 0.690 2.551 -4.095 1.00 0.00 C ATOM 746 C6 DC B 24 0.734 3.888 -4.326 1.00 0.00 C ATOM 0 H5' DC B 24 -0.825 8.646 -3.141 1.00 0.00 H new ATOM 0 H5'' DC B 24 -0.576 9.615 -4.580 1.00 0.00 H new ATOM 0 H4' DC B 24 1.505 8.784 -3.845 1.00 0.00 H new ATOM 0 H3' DC B 24 0.600 8.164 -6.501 1.00 0.00 H new ATOM 0 H2' DC B 24 0.972 5.779 -6.282 1.00 0.00 H new ATOM 0 H2'' DC B 24 2.657 6.236 -6.430 1.00 0.00 H new ATOM 0 HO3' DC B 24 2.780 8.532 -6.994 1.00 0.00 H new ATOM 0 H1' DC B 24 2.984 6.322 -4.043 1.00 0.00 H new ATOM 0 H41 DC B 24 1.066 0.090 -3.484 1.00 0.00 H new ATOM 0 H42 DC B 24 2.740 0.241 -2.940 1.00 0.00 H new ATOM 0 H5 DC B 24 -0.205 1.977 -4.287 1.00 0.00 H new ATOM 0 H6 DC B 24 -0.138 4.399 -4.706 1.00 0.00 H new TER 759 DC B 24 HETATM 760 C1 HNB A 125 -1.690 -8.446 14.316 1.00 0.00 C HETATM 761 C2 HNB A 125 -2.095 -7.933 15.690 1.00 0.00 C HETATM 762 C3 HNB A 125 -2.989 -6.758 15.345 1.00 0.00 C HETATM 763 C4 HNB A 125 -3.670 -7.325 14.079 1.00 0.00 C HETATM 764 C5 HNB A 125 -4.418 -6.316 13.187 1.00 0.00 C HETATM 765 C6 HNB A 125 -5.219 -6.953 12.039 1.00 0.00 C HETATM 766 C7 HNB A 125 -6.602 -7.505 12.433 1.00 0.00 C HETATM 767 C8 HNB A 125 -7.635 -6.400 12.709 1.00 0.00 C HETATM 768 C9 HNB A 125 -9.016 -7.003 12.971 1.00 0.00 C HETATM 769 O4 HNB A 125 -2.639 -8.005 13.371 1.00 0.00 O HETATM 770 O1 HNB A 125 -1.871 -9.827 14.210 1.00 0.00 O HETATM 0 HO1 HNB A 125 -1.758 -10.101 13.276 1.00 0.00 H new HETATM 0 H4 HNB A 125 -4.486 -7.979 14.388 1.00 0.00 H new HETATM 0 H3A HNB A 125 -3.701 -6.526 16.137 1.00 0.00 H new HETATM 0 H39 HNB A 125 -9.335 -7.573 12.099 1.00 0.00 H new HETATM 0 H29 HNB A 125 -8.967 -7.663 13.837 1.00 0.00 H new HETATM 0 H28 HNB A 125 -7.322 -5.809 13.570 1.00 0.00 H new HETATM 0 H27 HNB A 125 -6.971 -8.148 11.634 1.00 0.00 H new HETATM 0 H26 HNB A 125 -5.353 -6.209 11.254 1.00 0.00 H new HETATM 0 H25 HNB A 125 -5.098 -5.734 13.809 1.00 0.00 H new HETATM 0 H22 HNB A 125 -2.624 -8.691 16.267 1.00 0.00 H new HETATM 0 H19 HNB A 125 -9.731 -6.204 13.164 1.00 0.00 H new HETATM 0 H18 HNB A 125 -7.685 -5.721 11.858 1.00 0.00 H new HETATM 0 H17 HNB A 125 -6.499 -8.128 13.322 1.00 0.00 H new HETATM 0 H16 HNB A 125 -4.630 -7.765 11.612 1.00 0.00 H new HETATM 0 H15 HNB A 125 -3.695 -5.617 12.765 1.00 0.00 H new HETATM 0 H12 HNB A 125 -1.232 -7.627 16.281 1.00 0.00 H new HETATM 0 H1 HNB A 125 -0.661 -8.120 14.165 1.00 0.00 H new CONECT 208 762 CONECT 760 761 769 770 773 CONECT 761 760 762 775 776 CONECT 762 208 761 763 771 CONECT 763 762 764 769 772 CONECT 764 763 765 777 778 CONECT 765 764 766 779 780 CONECT 766 765 767 781 782 CONECT 767 766 768 783 784 CONECT 768 767 785 786 787 CONECT 769 760 763 CONECT 770 760 774 CONECT 771 762 CONECT 772 763 CONECT 773 760 CONECT 774 770 CONECT 775 761 CONECT 776 761 CONECT 777 764 CONECT 778 764 CONECT 779 765 CONECT 780 765 CONECT 781 766 CONECT 782 766 CONECT 783 767 CONECT 784 767 CONECT 785 768 CONECT 786 768 CONECT 787 768 END