USER MOD reduce.3.24.130724 H: found=0, std=0, add=273, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 273 hydrogens (9 hets) HEADER DNA 18-JUL-11 2LFX TITLE STRUCTURE OF THE DUPLEX WHEN (5'S)-8,5'-CYCLO-2'-DEOXYGUANOSINE IS TITLE 2 PLACED OPPOSITE DT COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA (5'-D(*GP*TP*GP*CP*(2LF)P*TP*GP*TP*TP*TP*GP*T)-3'); COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: DNA (5'-D(*AP*CP*AP*AP*AP*CP*AP*TP*GP*CP*AP*C)-3'); COMPND 7 CHAIN: B; COMPND 8 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 MOL_ID: 2; SOURCE 4 SYNTHETIC: YES KEYWDS (5'S)-8,5'-CYCLO-2'-DEOXYGUANOSINE, CYCLOPURINE, CYCLO-DG, DNA EXPDTA SOLUTION NMR AUTHOR H.HUANG,R.S.DAS,A.BASU,M.P.STONE REVDAT 1 27-JUN-12 2LFX 0 JRNL AUTH H.HUANG,R.S.DAS,A.K.BASU,M.P.STONE JRNL TITL STRUCTURES OF (5'S)-8,5'-CYCLO-2'-DEOXYGUANOSINE MISMATCHED JRNL TITL 2 WITH DA OR DT. JRNL REF CHEM.RES.TOXICOL. V. 25 478 2012 JRNL REFN ISSN 0893-228X JRNL PMID 22309170 JRNL DOI 10.1021/TX2005053 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : AMBER 10 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 2LFX COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 26-JUL-11. REMARK 100 THE RCSB ID CODE IS RCSB102343. 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 : 1.0 MM DNA (5'-D(*GP*TP*GP*CP* REMARK 210 TP*GP*TP*TP*TP*GP*T)-3'), 1.0 MM DNA (5'-D(*AP*CP*AP*AP*AP*CP*AP* REMARK 210 CP*GP*CP*AP*C)-3'), 100% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-1H NOESY; 2D 1H-1H COSY 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 WITH REMARK 210 EXPERIMENTAL NOESY 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 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: 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 4 O4' - C1' - N1 ANGL. DEV. = 2.2 DEGREES REMARK 500 DC A 4 N3 - C2 - O2 ANGL. DEV. = -4.7 DEGREES REMARK 500 DT A 6 O4' - C1' - N1 ANGL. DEV. = 2.2 DEGREES REMARK 500 DT A 6 C6 - C5 - C7 ANGL. DEV. = -3.7 DEGREES REMARK 500 DT A 9 C6 - C5 - C7 ANGL. DEV. = -3.7 DEGREES REMARK 500 DT A 10 O4' - C1' - N1 ANGL. DEV. = 2.3 DEGREES REMARK 500 DT A 10 C6 - C5 - C7 ANGL. DEV. = -3.7 DEGREES REMARK 500 DG A 11 O4' - C1' - N9 ANGL. DEV. = 2.6 DEGREES REMARK 500 DG A 11 N1 - C6 - O6 ANGL. DEV. = -3.7 DEGREES REMARK 500 DT A 12 O4' - C1' - N1 ANGL. DEV. = 2.2 DEGREES REMARK 500 DA B 13 C4 - C5 - C6 ANGL. DEV. = -3.5 DEGREES REMARK 500 DA B 13 C5 - C6 - N1 ANGL. DEV. = 3.3 DEGREES REMARK 500 DA B 13 N1 - C6 - N6 ANGL. DEV. = -4.4 DEGREES REMARK 500 DC B 14 N3 - C2 - O2 ANGL. DEV. = -4.6 DEGREES REMARK 500 DA B 15 C4 - C5 - C6 ANGL. DEV. = -3.5 DEGREES REMARK 500 DA B 15 C5 - C6 - N1 ANGL. DEV. = 3.8 DEGREES REMARK 500 DA B 15 N1 - C6 - N6 ANGL. DEV. = -4.8 DEGREES REMARK 500 DA B 16 C4 - C5 - C6 ANGL. DEV. = -3.3 DEGREES REMARK 500 DA B 16 C5 - C6 - N1 ANGL. DEV. = 3.8 DEGREES REMARK 500 DA B 16 N1 - C6 - N6 ANGL. DEV. = -4.6 DEGREES REMARK 500 DA B 17 C4 - C5 - C6 ANGL. DEV. = -3.4 DEGREES REMARK 500 DA B 17 C5 - C6 - N1 ANGL. DEV. = 3.9 DEGREES REMARK 500 DA B 17 N1 - C6 - N6 ANGL. DEV. = -4.7 DEGREES REMARK 500 DC B 18 N3 - C2 - O2 ANGL. DEV. = -4.5 DEGREES REMARK 500 DA B 19 C4 - C5 - C6 ANGL. DEV. = -3.0 DEGREES REMARK 500 DA B 19 C5 - C6 - N1 ANGL. DEV. = 3.9 DEGREES REMARK 500 DA B 19 N1 - C6 - N6 ANGL. DEV. = -4.2 DEGREES REMARK 500 DT B 20 O4' - C1' - N1 ANGL. DEV. = 3.0 DEGREES REMARK 500 DT B 20 C6 - C5 - C7 ANGL. DEV. = -3.6 DEGREES REMARK 500 DC B 22 N3 - C2 - O2 ANGL. DEV. = -4.4 DEGREES REMARK 500 DA B 23 C4 - C5 - C6 ANGL. DEV. = -3.1 DEGREES REMARK 500 DA B 23 C5 - C6 - N1 ANGL. DEV. = 3.5 DEGREES REMARK 500 DA B 23 N1 - C6 - N6 ANGL. DEV. = -4.4 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 1 0.05 SIDE CHAIN REMARK 500 DT A 2 0.07 SIDE CHAIN REMARK 500 DA B 23 0.07 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 17786 RELATED DB: BMRB REMARK 900 RELATED ID: 2LFY RELATED DB: PDB DBREF 2LFX A 1 12 PDB 2LFX 2LFX 1 12 DBREF 2LFX B 13 24 PDB 2LFX 2LFX 13 24 SEQRES 1 A 12 DG DT DG DC 2LF DT DG DT DT DT DG DT SEQRES 1 B 12 DA DC DA DA DA DC DA DT DG DC DA DC HET 2LF A 5 31 HETNAM 2LF (6S,7S,8S,10R)-2-AMINO-8-HYDROXY-4-OXO-3,6,7,8,9,10- HETNAM 2 2LF HEXAHYDRO-4H-7,10-EPOXYAZEPINO[1,2-E]PURIN-6-YL HETNAM 3 2LF DIHYDROGEN PHOSPHATE FORMUL 1 2LF C10 H12 N5 O7 P LINK O3' DC A 4 P 2LF A 5 1555 1555 1.61 LINK O3' 2LF A 5 P DT A 6 1555 1555 1.60 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 DG O5' : rot -26:sc= 0.0453 USER MOD Single : A 2 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 6 DT C7 :methyl -30:sc= 0 (180deg=-0.715) USER MOD Single : A 8 DT C7 :methyl 150:sc= -0.201 (180deg=-0.201) USER MOD Single : A 9 DT C7 :methyl -30:sc= -0.127 (180deg=-0.158) USER MOD Single : A 10 DT C7 :methyl 150:sc= -0.0622 (180deg=-0.0622) USER MOD Single : A 12 DT C7 :methyl 150:sc= -0.0377 (180deg=-0.0377) USER MOD Single : A 12 DT O3' : rot 180:sc= 0 USER MOD Single : B 13 DA O5' : rot -25:sc= 0.0495 USER MOD Single : B 20 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 24 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 8.593 0.198 -4.788 1.00 0.00 O ATOM 2 C5' DG A 1 8.925 0.102 -3.414 1.00 0.00 C ATOM 3 C4' DG A 1 9.361 1.481 -2.900 1.00 0.00 C ATOM 4 O4' DG A 1 8.323 2.419 -3.171 1.00 0.00 O ATOM 5 C3' DG A 1 9.589 1.487 -1.391 1.00 0.00 C ATOM 6 O3' DG A 1 10.625 2.412 -1.118 1.00 0.00 O ATOM 7 C2' DG A 1 8.227 1.907 -0.846 1.00 0.00 C ATOM 8 C1' DG A 1 7.680 2.800 -1.957 1.00 0.00 C ATOM 9 N9 DG A 1 6.215 2.683 -2.147 1.00 0.00 N ATOM 10 C8 DG A 1 5.482 1.575 -2.490 1.00 0.00 C ATOM 11 N7 DG A 1 4.234 1.820 -2.777 1.00 0.00 N ATOM 12 C5 DG A 1 4.106 3.200 -2.541 1.00 0.00 C ATOM 13 C6 DG A 1 2.992 4.109 -2.670 1.00 0.00 C ATOM 14 O6 DG A 1 1.834 3.899 -3.037 1.00 0.00 O ATOM 15 N1 DG A 1 3.320 5.417 -2.379 1.00 0.00 N ATOM 16 C2 DG A 1 4.546 5.820 -1.978 1.00 0.00 C ATOM 17 N2 DG A 1 4.714 7.084 -1.721 1.00 0.00 N ATOM 18 N3 DG A 1 5.604 5.028 -1.858 1.00 0.00 N ATOM 19 C4 DG A 1 5.320 3.725 -2.147 1.00 0.00 C ATOM 0 H5' DG A 1 9.727 -0.622 -3.272 1.00 0.00 H new ATOM 0 H5'' DG A 1 8.067 -0.256 -2.845 1.00 0.00 H new ATOM 0 H4' DG A 1 10.294 1.737 -3.402 1.00 0.00 H new ATOM 0 H3' DG A 1 9.905 0.544 -0.944 1.00 0.00 H new ATOM 0 H2' DG A 1 7.582 1.048 -0.663 1.00 0.00 H new ATOM 0 H2'' DG A 1 8.317 2.445 0.098 1.00 0.00 H new ATOM 0 HO5' DG A 1 8.320 1.116 -4.995 1.00 0.00 H new ATOM 0 H1' DG A 1 7.879 3.834 -1.677 1.00 0.00 H new ATOM 0 H8 DG A 1 5.904 0.581 -2.520 1.00 0.00 H new ATOM 0 H1 DG A 1 2.591 6.125 -2.472 1.00 0.00 H new ATOM 0 H21 DG A 1 5.625 7.426 -1.416 1.00 0.00 H new ATOM 0 H22 DG A 1 3.934 7.733 -1.825 1.00 0.00 H new ATOM 32 P DT A 2 11.311 2.504 0.333 1.00 0.00 P ATOM 33 OP1 DT A 2 12.673 3.039 0.136 1.00 0.00 O ATOM 34 OP2 DT A 2 11.114 1.193 0.983 1.00 0.00 O ATOM 35 O5' DT A 2 10.391 3.621 1.039 1.00 0.00 O ATOM 36 C5' DT A 2 10.509 4.986 0.662 1.00 0.00 C ATOM 37 C4' DT A 2 9.460 5.912 1.295 1.00 0.00 C ATOM 38 O4' DT A 2 8.152 5.572 0.858 1.00 0.00 O ATOM 39 C3' DT A 2 9.455 5.960 2.829 1.00 0.00 C ATOM 40 O3' DT A 2 9.599 7.319 3.221 1.00 0.00 O ATOM 41 C2' DT A 2 8.073 5.413 3.182 1.00 0.00 C ATOM 42 C1' DT A 2 7.268 5.805 1.941 1.00 0.00 C ATOM 43 N1 DT A 2 6.009 5.040 1.724 1.00 0.00 N ATOM 44 C2 DT A 2 4.846 5.761 1.413 1.00 0.00 C ATOM 45 O2 DT A 2 4.804 6.988 1.340 1.00 0.00 O ATOM 46 N3 DT A 2 3.721 5.027 1.113 1.00 0.00 N ATOM 47 C4 DT A 2 3.664 3.656 1.017 1.00 0.00 C ATOM 48 O4 DT A 2 2.642 3.143 0.575 1.00 0.00 O ATOM 49 C5 DT A 2 4.895 2.957 1.387 1.00 0.00 C ATOM 50 C7 DT A 2 4.945 1.438 1.367 1.00 0.00 C ATOM 51 C6 DT A 2 6.012 3.658 1.721 1.00 0.00 C ATOM 0 H5' DT A 2 10.433 5.059 -0.423 1.00 0.00 H new ATOM 0 H5'' DT A 2 11.502 5.341 0.936 1.00 0.00 H new ATOM 0 H4' DT A 2 9.755 6.904 0.953 1.00 0.00 H new ATOM 0 H3' DT A 2 10.250 5.397 3.318 1.00 0.00 H new ATOM 0 H2' DT A 2 8.086 4.335 3.340 1.00 0.00 H new ATOM 0 H2'' DT A 2 7.673 5.863 4.090 1.00 0.00 H new ATOM 0 H1' DT A 2 6.932 6.836 2.050 1.00 0.00 H new ATOM 0 H3 DT A 2 2.857 5.543 0.948 1.00 0.00 H new ATOM 0 H71 DT A 2 5.959 1.110 1.139 1.00 0.00 H new ATOM 0 H72 DT A 2 4.649 1.051 2.342 1.00 0.00 H new ATOM 0 H73 DT A 2 4.262 1.061 0.605 1.00 0.00 H new ATOM 0 H6 DT A 2 6.914 3.127 1.988 1.00 0.00 H new ATOM 64 P DG A 3 9.891 7.755 4.745 1.00 0.00 P ATOM 65 OP1 DG A 3 10.613 9.046 4.697 1.00 0.00 O ATOM 66 OP2 DG A 3 10.488 6.600 5.442 1.00 0.00 O ATOM 67 O5' DG A 3 8.409 8.007 5.323 1.00 0.00 O ATOM 68 C5' DG A 3 7.730 9.221 5.047 1.00 0.00 C ATOM 69 C4' DG A 3 6.288 9.266 5.572 1.00 0.00 C ATOM 70 O4' DG A 3 5.455 8.365 4.861 1.00 0.00 O ATOM 71 C3' DG A 3 6.120 8.992 7.073 1.00 0.00 C ATOM 72 O3' DG A 3 5.641 10.185 7.687 1.00 0.00 O ATOM 73 C2' DG A 3 5.094 7.854 7.098 1.00 0.00 C ATOM 74 C1' DG A 3 4.416 7.965 5.732 1.00 0.00 C ATOM 75 N9 DG A 3 3.836 6.699 5.233 1.00 0.00 N ATOM 76 C8 DG A 3 4.483 5.521 4.965 1.00 0.00 C ATOM 77 N7 DG A 3 3.729 4.599 4.431 1.00 0.00 N ATOM 78 C5 DG A 3 2.464 5.210 4.361 1.00 0.00 C ATOM 79 C6 DG A 3 1.191 4.745 3.867 1.00 0.00 C ATOM 80 O6 DG A 3 0.891 3.670 3.350 1.00 0.00 O ATOM 81 N1 DG A 3 0.180 5.676 3.984 1.00 0.00 N ATOM 82 C2 DG A 3 0.350 6.915 4.495 1.00 0.00 C ATOM 83 N2 DG A 3 -0.696 7.693 4.538 1.00 0.00 N ATOM 84 N3 DG A 3 1.506 7.406 4.933 1.00 0.00 N ATOM 85 C4 DG A 3 2.528 6.498 4.853 1.00 0.00 C ATOM 0 H5' DG A 3 7.718 9.381 3.969 1.00 0.00 H new ATOM 0 H5'' DG A 3 8.291 10.046 5.486 1.00 0.00 H new ATOM 0 H4' DG A 3 5.990 10.301 5.407 1.00 0.00 H new ATOM 0 H3' DG A 3 7.027 8.715 7.610 1.00 0.00 H new ATOM 0 H2' DG A 3 5.572 6.884 7.233 1.00 0.00 H new ATOM 0 H2'' DG A 3 4.380 7.973 7.913 1.00 0.00 H new ATOM 0 H1' DG A 3 3.575 8.655 5.796 1.00 0.00 H new ATOM 0 H8 DG A 3 5.531 5.368 5.178 1.00 0.00 H new ATOM 0 H1 DG A 3 -0.753 5.413 3.665 1.00 0.00 H new ATOM 0 H21 DG A 3 -0.614 8.637 4.916 1.00 0.00 H new ATOM 0 H22 DG A 3 -1.596 7.357 4.194 1.00 0.00 H new ATOM 97 P DC A 4 5.555 10.366 9.290 1.00 0.00 P ATOM 98 OP1 DC A 4 5.647 11.815 9.579 1.00 0.00 O ATOM 99 OP2 DC A 4 6.501 9.427 9.923 1.00 0.00 O ATOM 100 O5' DC A 4 4.060 9.889 9.614 1.00 0.00 O ATOM 101 C5' DC A 4 2.963 10.710 9.252 1.00 0.00 C ATOM 102 C4' DC A 4 1.600 10.035 9.439 1.00 0.00 C ATOM 103 O4' DC A 4 1.482 8.919 8.567 1.00 0.00 O ATOM 104 C3' DC A 4 1.277 9.572 10.870 1.00 0.00 C ATOM 105 O3' DC A 4 0.006 10.117 11.205 1.00 0.00 O ATOM 106 C2' DC A 4 1.267 8.052 10.712 1.00 0.00 C ATOM 107 C1' DC A 4 0.782 7.911 9.269 1.00 0.00 C ATOM 108 N1 DC A 4 1.003 6.582 8.633 1.00 0.00 N ATOM 109 C2 DC A 4 -0.037 6.013 7.883 1.00 0.00 C ATOM 110 O2 DC A 4 -1.112 6.589 7.714 1.00 0.00 O ATOM 111 N3 DC A 4 0.119 4.808 7.287 1.00 0.00 N ATOM 112 C4 DC A 4 1.259 4.173 7.440 1.00 0.00 C ATOM 113 N4 DC A 4 1.359 3.027 6.835 1.00 0.00 N ATOM 114 C5 DC A 4 2.373 4.715 8.140 1.00 0.00 C ATOM 115 C6 DC A 4 2.207 5.927 8.728 1.00 0.00 C ATOM 0 H5' DC A 4 3.071 11.007 8.209 1.00 0.00 H new ATOM 0 H5'' DC A 4 2.991 11.622 9.848 1.00 0.00 H new ATOM 0 H4' DC A 4 0.878 10.817 9.203 1.00 0.00 H new ATOM 0 H3' DC A 4 1.961 9.880 11.661 1.00 0.00 H new ATOM 0 H2' DC A 4 2.255 7.616 10.859 1.00 0.00 H new ATOM 0 H2'' DC A 4 0.596 7.568 11.422 1.00 0.00 H new ATOM 0 H1' DC A 4 -0.303 8.009 9.246 1.00 0.00 H new ATOM 0 H41 DC A 4 2.218 2.482 6.913 1.00 0.00 H new ATOM 0 H42 DC A 4 0.578 2.672 6.282 1.00 0.00 H new ATOM 0 H5 DC A 4 3.312 4.184 8.201 1.00 0.00 H new ATOM 0 H6 DC A 4 3.024 6.378 9.272 1.00 0.00 H new HETATM 127 P 2LF A 5 -0.681 9.964 12.654 1.00 0.00 P HETATM 128 N1 2LF A 5 -3.319 2.799 9.708 1.00 0.00 N HETATM 129 C2 2LF A 5 -4.573 3.263 9.684 1.00 0.00 C HETATM 130 N2 2LF A 5 -5.476 2.390 9.350 1.00 0.00 N HETATM 131 N3 2LF A 5 -4.936 4.503 9.963 1.00 0.00 N HETATM 132 C4 2LF A 5 -3.867 5.268 10.302 1.00 0.00 C HETATM 133 C5 2LF A 5 -2.539 4.916 10.367 1.00 0.00 C HETATM 134 C6 2LF A 5 -2.216 3.561 10.000 1.00 0.00 C HETATM 135 O6 2LF A 5 -1.133 2.997 9.901 1.00 0.00 O HETATM 136 N7 2LF A 5 -1.769 6.015 10.811 1.00 0.00 N HETATM 137 C8 2LF A 5 -2.667 6.948 11.004 1.00 0.00 C HETATM 138 N9 2LF A 5 -3.926 6.580 10.657 1.00 0.00 N HETATM 139 C1' 2LF A 5 -5.115 7.403 10.867 1.00 0.00 C HETATM 140 C2' 2LF A 5 -5.524 7.283 12.316 1.00 0.00 C HETATM 141 OP2 2LF A 5 -1.651 11.072 12.776 1.00 0.00 O HETATM 142 C3' 2LF A 5 -4.572 8.226 13.067 1.00 0.00 C HETATM 143 O3' 2LF A 5 -5.373 9.073 13.870 1.00 0.00 O HETATM 144 C4' 2LF A 5 -3.868 8.972 11.904 1.00 0.00 C HETATM 145 O4' 2LF A 5 -4.730 8.765 10.779 1.00 0.00 O HETATM 146 C5' 2LF A 5 -2.480 8.394 11.485 1.00 0.00 C HETATM 147 O5' 2LF A 5 -1.491 8.568 12.500 1.00 0.00 O HETATM 157 OP1 2LF A 5 0.392 9.818 13.657 1.00 0.00 O HETATM 0 HN2A 2LF A 5 -6.458 2.663 9.307 1.00 0.00 H new HETATM 0 H'2' 2LF A 5 -6.565 7.574 12.459 1.00 0.00 H new HETATM 0 HN2 2LF A 5 -5.203 1.432 9.130 1.00 0.00 H new HETATM 0 HN1 2LF A 5 -3.173 1.812 9.495 1.00 0.00 H new HETATM 0 H5' 2LF A 5 -2.078 8.961 10.645 1.00 0.00 H new HETATM 0 H4' 2LF A 5 -3.696 10.001 12.218 1.00 0.00 H new HETATM 0 H3' 2LF A 5 -3.845 7.763 13.734 1.00 0.00 H new HETATM 0 H2' 2LF A 5 -5.428 6.257 12.671 1.00 0.00 H new HETATM 0 H1' 2LF A 5 -5.884 7.103 10.155 1.00 0.00 H new ATOM 158 P DT A 6 -5.768 8.657 15.367 1.00 0.00 P ATOM 159 OP1 DT A 6 -6.759 9.638 15.866 1.00 0.00 O ATOM 160 OP2 DT A 6 -4.528 8.429 16.126 1.00 0.00 O ATOM 161 O5' DT A 6 -6.518 7.235 15.243 1.00 0.00 O ATOM 162 C5' DT A 6 -7.881 7.138 14.853 1.00 0.00 C ATOM 163 C4' DT A 6 -8.339 5.681 14.670 1.00 0.00 C ATOM 164 O4' DT A 6 -7.475 4.983 13.777 1.00 0.00 O ATOM 165 C3' DT A 6 -8.423 4.897 15.985 1.00 0.00 C ATOM 166 O3' DT A 6 -9.655 4.184 16.007 1.00 0.00 O ATOM 167 C2' DT A 6 -7.207 3.986 15.904 1.00 0.00 C ATOM 168 C1' DT A 6 -6.997 3.797 14.399 1.00 0.00 C ATOM 169 N1 DT A 6 -5.570 3.556 14.037 1.00 0.00 N ATOM 170 C2 DT A 6 -5.239 2.372 13.358 1.00 0.00 C ATOM 171 O2 DT A 6 -6.070 1.545 12.993 1.00 0.00 O ATOM 172 N3 DT A 6 -3.903 2.142 13.118 1.00 0.00 N ATOM 173 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22.135 1.00 0.00 H new ATOM 0 H6 DT A 9 -3.924 -7.462 20.524 1.00 0.00 H new ATOM 287 P DT A 10 -1.359 -13.056 20.003 1.00 0.00 P ATOM 288 OP1 DT A 10 -0.915 -14.235 19.226 1.00 0.00 O ATOM 289 OP2 DT A 10 -2.412 -13.221 21.029 1.00 0.00 O ATOM 290 O5' DT A 10 -0.064 -12.410 20.720 1.00 0.00 O ATOM 291 C5' DT A 10 1.152 -12.219 20.004 1.00 0.00 C ATOM 292 C4' DT A 10 2.197 -11.413 20.793 1.00 0.00 C ATOM 293 O4' DT A 10 1.716 -10.095 21.015 1.00 0.00 O ATOM 294 C3' DT A 10 2.610 -12.000 22.156 1.00 0.00 C ATOM 295 O3' DT A 10 3.947 -12.500 22.121 1.00 0.00 O ATOM 296 C2' DT A 10 2.488 -10.796 23.094 1.00 0.00 C ATOM 297 C1' DT A 10 2.348 -9.587 22.169 1.00 0.00 C ATOM 298 N1 DT A 10 1.530 -8.505 22.780 1.00 0.00 N ATOM 299 C2 DT A 10 2.166 -7.320 23.172 1.00 0.00 C ATOM 300 O2 DT A 10 3.376 -7.132 23.083 1.00 0.00 O ATOM 301 N3 DT A 10 1.371 -6.344 23.727 1.00 0.00 N ATOM 302 C4 DT A 10 0.030 -6.467 24.013 1.00 0.00 C ATOM 303 O4 DT A 10 -0.555 -5.529 24.550 1.00 0.00 O ATOM 304 C5 DT 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-10.987 22.868 1.00 0.00 H new ATOM 0 H5'' DG A 11 7.225 -12.161 23.638 1.00 0.00 H new ATOM 0 H4' DG A 11 7.859 -10.062 24.455 1.00 0.00 H new ATOM 0 H3' DG A 11 7.013 -11.981 26.386 1.00 0.00 H new ATOM 0 H2' DG A 11 5.082 -10.721 27.066 1.00 0.00 H new ATOM 0 H2'' DG A 11 6.306 -9.903 28.018 1.00 0.00 H new ATOM 0 H1' DG A 11 6.486 -8.075 26.461 1.00 0.00 H new ATOM 0 H8 DG A 11 3.116 -9.838 25.736 1.00 0.00 H new ATOM 0 H1 DG A 11 2.816 -3.945 28.375 1.00 0.00 H new ATOM 0 H21 DG A 11 6.250 -4.031 28.000 1.00 0.00 H new ATOM 0 H22 DG A 11 4.825 -3.124 28.517 1.00 0.00 H new ATOM 352 P DT A 12 8.967 -10.971 28.176 1.00 0.00 P ATOM 353 OP1 DT A 12 10.438 -11.138 28.130 1.00 0.00 O ATOM 354 OP2 DT A 12 8.123 -12.017 28.787 1.00 0.00 O ATOM 355 O5' DT A 12 8.678 -9.604 28.964 1.00 0.00 O ATOM 356 C5' DT A 12 9.283 -8.392 28.543 1.00 0.00 C ATOM 357 C4' DT A 12 8.938 -7.240 29.490 1.00 0.00 C ATOM 358 O4' DT A 12 7.570 -6.905 29.348 1.00 0.00 O ATOM 359 C3' DT A 12 9.196 -7.589 30.969 1.00 0.00 C ATOM 360 O3' DT A 12 9.977 -6.605 31.634 1.00 0.00 O ATOM 361 C2' DT A 12 7.792 -7.610 31.561 1.00 0.00 C ATOM 362 C1' DT A 12 7.027 -6.670 30.629 1.00 0.00 C ATOM 363 N1 DT A 12 5.567 -6.938 30.633 1.00 0.00 N ATOM 364 C2 DT A 12 4.726 -5.979 31.200 1.00 0.00 C ATOM 365 O2 DT A 12 5.128 -4.979 31.789 1.00 0.00 O ATOM 366 N3 DT A 12 3.381 -6.244 31.155 1.00 0.00 N ATOM 367 C4 DT A 12 2.797 -7.412 30.728 1.00 0.00 C ATOM 368 O4 DT A 12 1.584 -7.542 30.865 1.00 0.00 O ATOM 369 C5 DT A 12 3.733 -8.402 30.195 1.00 0.00 C ATOM 370 C7 DT A 12 3.223 -9.742 29.692 1.00 0.00 C ATOM 371 C6 DT A 12 5.067 -8.133 30.157 1.00 0.00 C ATOM 0 H5' DT A 12 8.950 -8.148 27.534 1.00 0.00 H new ATOM 0 H5'' DT A 12 10.365 -8.519 28.500 1.00 0.00 H new ATOM 0 H4' DT A 12 9.584 -6.405 29.219 1.00 0.00 H new ATOM 0 H3' DT A 12 9.751 -8.521 31.075 1.00 0.00 H new ATOM 0 H2' DT A 12 7.367 -8.614 31.563 1.00 0.00 H new ATOM 0 H2'' DT A 12 7.781 -7.257 32.592 1.00 0.00 H new ATOM 0 HO3' DT A 12 10.112 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1.00 0.00 C ATOM 398 C6 DA B 13 0.295 -4.100 31.643 1.00 0.00 C ATOM 399 N6 DA B 13 -0.160 -5.226 31.129 1.00 0.00 N ATOM 400 N1 DA B 13 1.616 -4.065 31.794 1.00 0.00 N ATOM 401 C2 DA B 13 2.168 -2.962 32.278 1.00 0.00 C ATOM 402 N3 DA B 13 1.548 -1.874 32.717 1.00 0.00 N ATOM 403 C4 DA B 13 0.200 -1.964 32.568 1.00 0.00 C ATOM 0 H5' DA B 13 -3.010 2.696 36.074 1.00 0.00 H new ATOM 0 H5'' DA B 13 -3.466 1.383 35.007 1.00 0.00 H new ATOM 0 H4' DA B 13 -0.651 2.086 35.930 1.00 0.00 H new ATOM 0 H3' DA B 13 -2.061 3.157 33.718 1.00 0.00 H new ATOM 0 H2' DA B 13 -2.054 1.165 32.389 1.00 0.00 H new ATOM 0 H2'' DA B 13 -0.468 1.788 31.980 1.00 0.00 H new ATOM 0 HO5' DA B 13 -2.137 0.112 36.799 1.00 0.00 H new ATOM 0 H1' DA B 13 0.646 0.396 33.554 1.00 0.00 H new ATOM 0 H8 DA B 13 -2.882 -1.046 32.795 1.00 0.00 H new ATOM 0 H61 DA B 13 0.491 -5.962 30.857 1.00 0.00 H new ATOM 0 H62 DA B 13 -1.163 -5.361 31.004 1.00 0.00 H new ATOM 0 H2 DA B 13 3.247 -2.947 32.320 1.00 0.00 H new ATOM 416 P DC B 14 0.238 4.449 32.892 1.00 0.00 P ATOM 417 OP1 DC B 14 0.836 5.595 33.605 1.00 0.00 O ATOM 418 OP2 DC B 14 -0.990 4.623 32.086 1.00 0.00 O ATOM 419 O5' DC B 14 1.356 3.710 32.003 1.00 0.00 O ATOM 420 C5' DC B 14 2.651 3.459 32.533 1.00 0.00 C ATOM 421 C4' DC B 14 3.561 2.651 31.593 1.00 0.00 C ATOM 422 O4' DC B 14 3.007 1.370 31.326 1.00 0.00 O ATOM 423 C3' DC B 14 3.878 3.330 30.253 1.00 0.00 C ATOM 424 O3' DC B 14 5.287 3.500 30.162 1.00 0.00 O ATOM 425 C2' DC B 14 3.350 2.328 29.225 1.00 0.00 C ATOM 426 C1' DC B 14 3.359 1.008 30.002 1.00 0.00 C ATOM 427 N1 DC B 14 2.389 -0.005 29.501 1.00 0.00 N ATOM 428 C2 DC B 14 2.840 -1.285 29.147 1.00 0.00 C ATOM 429 O2 DC B 14 4.028 -1.598 29.196 1.00 0.00 O ATOM 430 N3 DC B 14 1.961 -2.244 28.773 1.00 0.00 N ATOM 431 C4 DC B 14 0.686 -1.942 28.715 1.00 0.00 C ATOM 432 N4 DC B 14 -0.107 -2.917 28.382 1.00 0.00 N ATOM 433 C5 DC B 14 0.154 -0.672 29.076 1.00 0.00 C ATOM 434 C6 DC B 14 1.045 0.278 29.468 1.00 0.00 C ATOM 0 H5' DC B 14 2.549 2.921 33.476 1.00 0.00 H new ATOM 0 H5'' DC B 14 3.132 4.411 32.759 1.00 0.00 H new ATOM 0 H4' DC B 14 4.501 2.571 32.138 1.00 0.00 H new ATOM 0 H3' DC B 14 3.435 4.316 30.115 1.00 0.00 H new ATOM 0 H2' DC B 14 2.349 2.589 28.883 1.00 0.00 H new ATOM 0 H2'' DC B 14 3.987 2.282 28.341 1.00 0.00 H new ATOM 0 H1' DC B 14 4.337 0.536 29.904 1.00 0.00 H new ATOM 0 H41 DC B 14 -1.112 -2.757 28.316 1.00 0.00 H new ATOM 0 H42 DC B 14 0.276 -3.842 28.186 1.00 0.00 H new ATOM 0 H5 DC B 14 -0.907 -0.472 29.040 1.00 0.00 H new ATOM 0 H6 DC B 14 0.695 1.259 29.754 1.00 0.00 H new ATOM 446 P DA B 15 5.978 4.389 29.005 1.00 0.00 P ATOM 447 OP1 DA B 15 7.275 4.864 29.536 1.00 0.00 O ATOM 448 OP2 DA B 15 4.983 5.358 28.505 1.00 0.00 O ATOM 449 O5' DA B 15 6.258 3.298 27.858 1.00 0.00 O ATOM 450 C5' DA B 15 7.296 2.343 28.013 1.00 0.00 C ATOM 451 C4' DA B 15 7.330 1.285 26.901 1.00 0.00 C ATOM 452 O4' DA B 15 6.192 0.436 26.954 1.00 0.00 O ATOM 453 C3' DA B 15 7.457 1.843 25.474 1.00 0.00 C ATOM 454 O3' DA B 15 8.716 1.428 24.952 1.00 0.00 O ATOM 455 C2' DA B 15 6.264 1.207 24.753 1.00 0.00 C ATOM 456 C1' DA B 15 5.916 0.007 25.634 1.00 0.00 C ATOM 457 N9 DA B 15 4.497 -0.408 25.559 1.00 0.00 N ATOM 458 C8 DA B 15 3.379 0.333 25.857 1.00 0.00 C ATOM 459 N7 DA B 15 2.252 -0.328 25.796 1.00 0.00 N ATOM 460 C5 DA B 15 2.672 -1.607 25.384 1.00 0.00 C ATOM 461 C6 DA B 15 2.023 -2.834 25.102 1.00 0.00 C ATOM 462 N6 DA B 15 0.720 -3.021 25.152 1.00 0.00 N ATOM 463 N1 DA B 15 2.707 -3.914 24.733 1.00 0.00 N ATOM 464 C2 DA B 15 4.023 -3.805 24.609 1.00 0.00 C ATOM 465 N3 DA B 15 4.777 -2.740 24.859 1.00 0.00 N ATOM 466 C4 DA B 15 4.033 -1.663 25.236 1.00 0.00 C ATOM 0 H5' DA B 15 7.178 1.843 28.975 1.00 0.00 H new ATOM 0 H5'' DA B 15 8.254 2.862 28.039 1.00 0.00 H new ATOM 0 H4' DA B 15 8.242 0.725 27.106 1.00 0.00 H new ATOM 0 H3' DA B 15 7.434 2.929 25.381 1.00 0.00 H new ATOM 0 H2' DA B 15 5.428 1.901 24.671 1.00 0.00 H new ATOM 0 H2'' DA B 15 6.524 0.900 23.740 1.00 0.00 H new ATOM 0 H1' DA B 15 6.491 -0.859 25.306 1.00 0.00 H new ATOM 0 H8 DA B 15 3.427 1.379 26.121 1.00 0.00 H new ATOM 0 H61 DA B 15 0.328 -3.937 24.934 1.00 0.00 H new ATOM 0 H62 DA B 15 0.104 -2.250 25.408 1.00 0.00 H new ATOM 0 H2 DA B 15 4.543 -4.686 24.264 1.00 0.00 H new ATOM 478 P DA B 16 9.305 1.941 23.536 1.00 0.00 P ATOM 479 OP1 DA B 16 10.781 1.883 23.624 1.00 0.00 O ATOM 480 OP2 DA B 16 8.636 3.205 23.165 1.00 0.00 O ATOM 481 O5' DA B 16 8.813 0.780 22.540 1.00 0.00 O ATOM 482 C5' DA B 16 9.354 -0.527 22.648 1.00 0.00 C ATOM 483 C4' DA B 16 8.647 -1.553 21.757 1.00 0.00 C ATOM 484 O4' DA B 16 7.285 -1.681 22.128 1.00 0.00 O ATOM 485 C3' DA B 16 8.720 -1.284 20.247 1.00 0.00 C ATOM 486 O3' DA B 16 9.539 -2.293 19.660 1.00 0.00 O ATOM 487 C2' DA B 16 7.248 -1.359 19.825 1.00 0.00 C ATOM 488 C1' DA B 16 6.566 -2.091 20.984 1.00 0.00 C ATOM 489 N9 DA B 16 5.138 -1.746 21.179 1.00 0.00 N ATOM 490 C8 DA B 16 4.590 -0.522 21.478 1.00 0.00 C ATOM 491 N7 DA B 16 3.296 -0.534 21.671 1.00 0.00 N ATOM 492 C5 DA B 16 2.968 -1.886 21.470 1.00 0.00 C ATOM 493 C6 DA B 16 1.775 -2.648 21.527 1.00 0.00 C ATOM 494 N6 DA B 16 0.584 -2.153 21.807 1.00 0.00 N ATOM 495 N1 DA B 16 1.775 -3.961 21.297 1.00 0.00 N ATOM 496 C2 DA B 16 2.935 -4.537 21.002 1.00 0.00 C ATOM 497 N3 DA B 16 4.131 -3.965 20.928 1.00 0.00 N ATOM 498 C4 DA B 16 4.080 -2.627 21.172 1.00 0.00 C ATOM 0 H5' DA B 16 9.291 -0.854 23.686 1.00 0.00 H new ATOM 0 H5'' DA B 16 10.412 -0.497 22.387 1.00 0.00 H new ATOM 0 H4' DA B 16 9.200 -2.477 21.928 1.00 0.00 H new ATOM 0 H3' DA B 16 9.162 -0.334 19.945 1.00 0.00 H new ATOM 0 H2' DA B 16 6.825 -0.366 19.676 1.00 0.00 H new ATOM 0 H2'' DA B 16 7.129 -1.900 18.886 1.00 0.00 H new ATOM 0 H1' DA B 16 6.576 -3.163 20.786 1.00 0.00 H new ATOM 0 H8 DA B 16 5.181 0.379 21.548 1.00 0.00 H new ATOM 0 H61 DA B 16 -0.231 -2.766 21.829 1.00 0.00 H new ATOM 0 H62 DA B 16 0.478 -1.157 22.001 1.00 0.00 H new ATOM 0 H2 DA B 16 2.901 -5.597 20.798 1.00 0.00 H new ATOM 510 P DA B 17 10.011 -2.268 18.116 1.00 0.00 P ATOM 511 OP1 DA B 17 11.327 -2.944 18.034 1.00 0.00 O ATOM 512 OP2 DA B 17 9.863 -0.894 17.598 1.00 0.00 O ATOM 513 O5' DA B 17 8.913 -3.216 17.411 1.00 0.00 O ATOM 514 C5' DA B 17 8.904 -4.615 17.671 1.00 0.00 C ATOM 515 C4' DA B 17 7.749 -5.380 17.008 1.00 0.00 C ATOM 516 O4' DA B 17 6.515 -4.953 17.568 1.00 0.00 O ATOM 517 C3' DA B 17 7.671 -5.273 15.476 1.00 0.00 C ATOM 518 O3' DA B 17 7.616 -6.592 14.933 1.00 0.00 O ATOM 519 C2' DA B 17 6.393 -4.458 15.288 1.00 0.00 C ATOM 520 C1' DA B 17 5.565 -4.785 16.532 1.00 0.00 C ATOM 521 N9 DA B 17 4.635 -3.699 16.923 1.00 0.00 N ATOM 522 C8 DA B 17 4.912 -2.367 17.119 1.00 0.00 C ATOM 523 N7 DA B 17 3.890 -1.644 17.499 1.00 0.00 N ATOM 524 C5 DA B 17 2.856 -2.596 17.576 1.00 0.00 C ATOM 525 C6 DA B 17 1.486 -2.563 17.938 1.00 0.00 C ATOM 526 N6 DA B 17 0.844 -1.483 18.339 1.00 0.00 N ATOM 527 N1 DA B 17 0.729 -3.660 17.906 1.00 0.00 N ATOM 528 C2 DA B 17 1.301 -4.794 17.517 1.00 0.00 C ATOM 529 N3 DA B 17 2.562 -4.982 17.142 1.00 0.00 N ATOM 530 C4 DA B 17 3.296 -3.839 17.209 1.00 0.00 C ATOM 0 H5' DA B 17 8.855 -4.771 18.749 1.00 0.00 H new ATOM 0 H5'' DA B 17 9.848 -5.041 17.330 1.00 0.00 H new ATOM 0 H4' DA B 17 7.951 -6.431 17.214 1.00 0.00 H new ATOM 0 H3' DA B 17 8.515 -4.802 14.972 1.00 0.00 H new ATOM 0 H2' DA B 17 6.606 -3.391 15.218 1.00 0.00 H new ATOM 0 H2'' DA B 17 5.870 -4.739 14.374 1.00 0.00 H new ATOM 0 H1' DA B 17 4.946 -5.661 16.339 1.00 0.00 H new ATOM 0 H8 DA B 17 5.897 -1.950 16.971 1.00 0.00 H new ATOM 0 H61 DA B 17 -0.145 -1.539 18.583 1.00 0.00 H new ATOM 0 H62 DA B 17 1.336 -0.592 18.405 1.00 0.00 H new ATOM 0 H2 DA B 17 0.666 -5.667 17.504 1.00 0.00 H new ATOM 542 P DC B 18 7.505 -6.920 13.354 1.00 0.00 P ATOM 543 OP1 DC B 18 8.059 -8.273 13.127 1.00 0.00 O ATOM 544 OP2 DC B 18 8.050 -5.779 12.590 1.00 0.00 O ATOM 545 O5' DC B 18 5.905 -6.979 13.153 1.00 0.00 O ATOM 546 C5' DC B 18 5.133 -7.984 13.803 1.00 0.00 C ATOM 547 C4' DC B 18 3.613 -7.823 13.633 1.00 0.00 C ATOM 548 O4' DC B 18 3.162 -6.628 14.257 1.00 0.00 O ATOM 549 C3' DC B 18 3.116 -7.815 12.179 1.00 0.00 C ATOM 550 O3' DC B 18 2.238 -8.918 11.979 1.00 0.00 O ATOM 551 C2' DC B 18 2.396 -6.468 12.076 1.00 0.00 C ATOM 552 C1' DC B 18 2.051 -6.140 13.529 1.00 0.00 C ATOM 553 N1 DC B 18 1.892 -4.679 13.774 1.00 0.00 N ATOM 554 C2 DC B 18 0.643 -4.161 14.144 1.00 0.00 C ATOM 555 O2 DC B 18 -0.363 -4.864 14.197 1.00 0.00 O ATOM 556 N3 DC B 18 0.506 -2.852 14.462 1.00 0.00 N ATOM 557 C4 DC B 18 1.566 -2.078 14.401 1.00 0.00 C ATOM 558 N4 DC B 18 1.396 -0.849 14.788 1.00 0.00 N ATOM 559 C5 DC B 18 2.860 -2.536 14.029 1.00 0.00 C ATOM 560 C6 DC B 18 2.982 -3.849 13.709 1.00 0.00 C ATOM 0 H5' DC B 18 5.371 -7.977 14.867 1.00 0.00 H new ATOM 0 H5'' DC B 18 5.429 -8.959 13.417 1.00 0.00 H new ATOM 0 H4' DC B 18 3.196 -8.711 14.108 1.00 0.00 H new ATOM 0 H3' DC B 18 3.896 -7.917 11.425 1.00 0.00 H new ATOM 0 H2' DC B 18 3.034 -5.704 11.632 1.00 0.00 H new ATOM 0 H2'' DC B 18 1.502 -6.536 11.456 1.00 0.00 H new ATOM 0 H1' DC B 18 1.098 -6.584 13.815 1.00 0.00 H new ATOM 0 H41 DC B 18 2.178 -0.195 14.766 1.00 0.00 H new ATOM 0 H42 DC B 18 0.480 -0.539 15.113 1.00 0.00 H new ATOM 0 H5 DC B 18 3.708 -1.868 14.002 1.00 0.00 H new ATOM 0 H6 DC B 18 3.940 -4.242 13.402 1.00 0.00 H new ATOM 572 P DA B 19 1.722 -9.364 10.516 1.00 0.00 P ATOM 573 OP1 DA B 19 1.305 -10.782 10.586 1.00 0.00 O ATOM 574 OP2 DA B 19 2.733 -8.953 9.518 1.00 0.00 O ATOM 575 O5' DA B 19 0.406 -8.456 10.312 1.00 0.00 O ATOM 576 C5' DA B 19 -0.763 -8.684 11.090 1.00 0.00 C ATOM 577 C4' DA B 19 -1.921 -7.723 10.768 1.00 0.00 C ATOM 578 O4' DA B 19 -1.701 -6.448 11.361 1.00 0.00 O ATOM 579 C3' DA B 19 -2.183 -7.511 9.266 1.00 0.00 C ATOM 580 O3' DA B 19 -3.538 -7.843 8.971 1.00 0.00 O ATOM 581 C2' DA B 19 -1.893 -6.017 9.101 1.00 0.00 C ATOM 582 C1' DA B 19 -2.208 -5.458 10.488 1.00 0.00 C ATOM 583 N9 DA B 19 -1.556 -4.158 10.780 1.00 0.00 N ATOM 584 C8 DA B 19 -0.222 -3.847 10.676 1.00 0.00 C ATOM 585 N7 DA B 19 0.081 -2.622 11.012 1.00 0.00 N ATOM 586 C5 DA B 19 -1.162 -2.090 11.396 1.00 0.00 C ATOM 587 C6 DA B 19 -1.599 -0.838 11.895 1.00 0.00 C ATOM 588 N6 DA B 19 -0.804 0.191 12.101 1.00 0.00 N ATOM 589 N1 DA B 19 -2.885 -0.602 12.161 1.00 0.00 N ATOM 590 C2 DA B 19 -3.744 -1.589 11.948 1.00 0.00 C ATOM 591 N3 DA B 19 -3.494 -2.814 11.492 1.00 0.00 N ATOM 592 C4 DA B 19 -2.166 -3.010 11.243 1.00 0.00 C ATOM 0 H5' DA B 19 -0.509 -8.591 12.146 1.00 0.00 H new ATOM 0 H5'' DA B 19 -1.099 -9.709 10.932 1.00 0.00 H new ATOM 0 H4' DA B 19 -2.801 -8.212 11.186 1.00 0.00 H new ATOM 0 H3' DA B 19 -1.583 -8.126 8.595 1.00 0.00 H new ATOM 0 H2' DA B 19 -0.857 -5.835 8.817 1.00 0.00 H new ATOM 0 H2'' DA B 19 -2.519 -5.566 8.331 1.00 0.00 H new ATOM 0 H1' DA B 19 -3.275 -5.257 10.587 1.00 0.00 H new ATOM 0 H8 DA B 19 0.518 -4.560 10.343 1.00 0.00 H new ATOM 0 H61 DA B 19 -1.185 1.065 12.463 1.00 0.00 H new ATOM 0 H62 DA B 19 0.193 0.114 11.899 1.00 0.00 H new ATOM 0 H2 DA B 19 -4.778 -1.371 12.173 1.00 0.00 H new ATOM 604 P DT B 20 -4.099 -7.958 7.462 1.00 0.00 P ATOM 605 OP1 DT B 20 -5.325 -8.788 7.480 1.00 0.00 O ATOM 606 OP2 DT B 20 -2.984 -8.319 6.562 1.00 0.00 O ATOM 607 O5' DT B 20 -4.523 -6.439 7.158 1.00 0.00 O ATOM 608 C5' DT B 20 -5.643 -5.870 7.816 1.00 0.00 C ATOM 609 C4' DT B 20 -5.684 -4.342 7.720 1.00 0.00 C ATOM 610 O4' DT B 20 -4.541 -3.755 8.323 1.00 0.00 O ATOM 611 C3' DT B 20 -5.765 -3.768 6.307 1.00 0.00 C ATOM 612 O3' DT B 20 -7.115 -3.694 5.861 1.00 0.00 O ATOM 613 C2' DT B 20 -5.122 -2.391 6.507 1.00 0.00 C ATOM 614 C1' DT B 20 -4.478 -2.407 7.899 1.00 0.00 C ATOM 615 N1 DT B 20 -3.073 -1.906 7.893 1.00 0.00 N ATOM 616 C2 DT B 20 -2.808 -0.626 8.402 1.00 0.00 C ATOM 617 O2 DT B 20 -3.682 0.118 8.840 1.00 0.00 O ATOM 618 N3 DT B 20 -1.497 -0.196 8.380 1.00 0.00 N ATOM 619 C4 DT B 20 -0.439 -0.895 7.842 1.00 0.00 C ATOM 620 O4 DT B 20 0.680 -0.387 7.848 1.00 0.00 O ATOM 621 C5 DT B 20 -0.785 -2.213 7.305 1.00 0.00 C ATOM 622 C7 DT B 20 0.295 -3.084 6.688 1.00 0.00 C ATOM 623 C6 DT B 20 -2.065 -2.671 7.347 1.00 0.00 C ATOM 0 H5' DT B 20 -5.627 -6.162 8.866 1.00 0.00 H new ATOM 0 H5'' DT B 20 -6.557 -6.280 7.385 1.00 0.00 H new ATOM 0 H4' DT B 20 -6.609 -4.095 8.240 1.00 0.00 H new ATOM 0 H3' DT B 20 -5.272 -4.363 5.538 1.00 0.00 H new ATOM 0 H2' DT B 20 -4.376 -2.196 5.737 1.00 0.00 H new ATOM 0 H2'' DT B 20 -5.869 -1.600 6.434 1.00 0.00 H new ATOM 0 H1' DT B 20 -5.006 -1.736 8.576 1.00 0.00 H new ATOM 0 H3 DT B 20 -1.295 0.713 8.796 1.00 0.00 H new ATOM 0 H71 DT B 20 0.041 -4.134 6.830 1.00 0.00 H new ATOM 0 H72 DT B 20 0.370 -2.870 5.622 1.00 0.00 H new ATOM 0 H73 DT B 20 1.251 -2.874 7.168 1.00 0.00 H new ATOM 0 H6 DT B 20 -2.295 -3.648 6.947 1.00 0.00 H new ATOM 636 P DG B 21 -7.504 -3.170 4.388 1.00 0.00 P ATOM 637 OP1 DG B 21 -8.810 -3.752 4.005 1.00 0.00 O ATOM 638 OP2 DG B 21 -6.334 -3.337 3.500 1.00 0.00 O ATOM 639 O5' DG B 21 -7.716 -1.589 4.627 1.00 0.00 O ATOM 640 C5' DG B 21 -8.749 -1.110 5.481 1.00 0.00 C ATOM 641 C4' DG B 21 -8.854 0.425 5.536 1.00 0.00 C ATOM 642 O4' DG B 21 -7.684 0.975 6.132 1.00 0.00 O ATOM 643 C3' DG B 21 -9.070 1.094 4.171 1.00 0.00 C ATOM 644 O3' DG B 21 -9.993 2.173 4.300 1.00 0.00 O ATOM 645 C2' DG B 21 -7.655 1.539 3.825 1.00 0.00 C ATOM 646 C1' DG B 21 -7.000 1.785 5.188 1.00 0.00 C ATOM 647 N9 DG B 21 -5.553 1.457 5.196 1.00 0.00 N ATOM 648 C8 DG B 21 -4.926 0.334 4.712 1.00 0.00 C ATOM 649 N7 DG B 21 -3.624 0.350 4.822 1.00 0.00 N ATOM 650 C5 DG B 21 -3.365 1.578 5.447 1.00 0.00 C ATOM 651 C6 DG B 21 -2.130 2.209 5.837 1.00 0.00 C ATOM 652 O6 DG B 21 -0.978 1.795 5.737 1.00 0.00 O ATOM 653 N1 DG B 21 -2.299 3.468 6.370 1.00 0.00 N ATOM 654 C2 DG B 21 -3.500 4.066 6.517 1.00 0.00 C ATOM 655 N2 DG B 21 -3.508 5.269 7.016 1.00 0.00 N ATOM 656 N3 DG B 21 -4.667 3.530 6.173 1.00 0.00 N ATOM 657 C4 DG B 21 -4.539 2.271 5.652 1.00 0.00 C ATOM 0 H5' DG B 21 -8.578 -1.489 6.489 1.00 0.00 H new ATOM 0 H5'' DG B 21 -9.702 -1.517 5.145 1.00 0.00 H new ATOM 0 H4' DG B 21 -9.741 0.632 6.135 1.00 0.00 H new ATOM 0 H3' DG B 21 -9.505 0.463 3.396 1.00 0.00 H new ATOM 0 H2' DG B 21 -7.123 0.774 3.259 1.00 0.00 H new ATOM 0 H2'' DG B 21 -7.659 2.442 3.215 1.00 0.00 H new ATOM 0 H1' DG B 21 -7.073 2.845 5.432 1.00 0.00 H new ATOM 0 H8 DG B 21 -5.465 -0.494 4.276 1.00 0.00 H new ATOM 0 H1 DG B 21 -1.468 3.978 6.671 1.00 0.00 H new ATOM 0 H21 DG B 21 -4.392 5.761 7.146 1.00 0.00 H new ATOM 0 H22 DG B 21 -2.630 5.719 7.277 1.00 0.00 H new ATOM 669 P DC B 22 -10.515 3.039 3.037 1.00 0.00 P ATOM 670 OP1 DC B 22 -11.823 3.632 3.398 1.00 0.00 O ATOM 671 OP2 DC B 22 -10.406 2.208 1.818 1.00 0.00 O ATOM 672 O5' DC B 22 -9.418 4.218 2.958 1.00 0.00 O ATOM 673 C5' DC B 22 -9.327 5.189 3.994 1.00 0.00 C ATOM 674 C4' DC B 22 -8.154 6.169 3.827 1.00 0.00 C ATOM 675 O4' DC B 22 -6.912 5.513 4.044 1.00 0.00 O ATOM 676 C3' DC B 22 -8.088 6.880 2.467 1.00 0.00 C ATOM 677 O3' DC B 22 -8.215 8.285 2.664 1.00 0.00 O ATOM 678 C2' DC B 22 -6.701 6.487 1.952 1.00 0.00 C ATOM 679 C1' DC B 22 -5.935 6.133 3.228 1.00 0.00 C ATOM 680 N1 DC B 22 -4.798 5.196 2.998 1.00 0.00 N ATOM 681 C2 DC B 22 -3.482 5.603 3.261 1.00 0.00 C ATOM 682 O2 DC B 22 -3.215 6.753 3.607 1.00 0.00 O ATOM 683 N3 DC B 22 -2.448 4.738 3.115 1.00 0.00 N ATOM 684 C4 DC B 22 -2.709 3.506 2.742 1.00 0.00 C ATOM 685 N4 DC B 22 -1.692 2.699 2.665 1.00 0.00 N ATOM 686 C5 DC B 22 -4.015 3.030 2.449 1.00 0.00 C ATOM 687 C6 DC B 22 -5.038 3.912 2.577 1.00 0.00 C ATOM 0 H5' DC B 22 -9.227 4.677 4.951 1.00 0.00 H new ATOM 0 H5'' DC B 22 -10.258 5.755 4.031 1.00 0.00 H new ATOM 0 H4' DC B 22 -8.340 6.936 4.579 1.00 0.00 H new ATOM 0 H3' DC B 22 -8.877 6.608 1.766 1.00 0.00 H new ATOM 0 H2' DC B 22 -6.752 5.641 1.266 1.00 0.00 H new ATOM 0 H2'' DC B 22 -6.226 7.306 1.413 1.00 0.00 H new ATOM 0 H1' DC B 22 -5.479 7.021 3.666 1.00 0.00 H new ATOM 0 H41 DC B 22 -1.831 1.729 2.381 1.00 0.00 H new ATOM 0 H42 DC B 22 -0.756 3.036 2.889 1.00 0.00 H new ATOM 0 H5 DC B 22 -4.186 2.010 2.138 1.00 0.00 H new ATOM 0 H6 DC B 22 -6.047 3.602 2.346 1.00 0.00 H new ATOM 699 P DA B 23 -8.372 9.325 1.442 1.00 0.00 P ATOM 700 OP1 DA B 23 -9.114 10.506 1.937 1.00 0.00 O ATOM 701 OP2 DA B 23 -8.860 8.596 0.253 1.00 0.00 O ATOM 702 O5' DA B 23 -6.852 9.769 1.161 1.00 0.00 O ATOM 703 C5' DA B 23 -6.165 10.607 2.077 1.00 0.00 C ATOM 704 C4' DA B 23 -4.706 10.854 1.673 1.00 0.00 C ATOM 705 O4' DA B 23 -3.953 9.658 1.821 1.00 0.00 O ATOM 706 C3' DA B 23 -4.519 11.374 0.236 1.00 0.00 C ATOM 707 O3' DA B 23 -4.027 12.717 0.248 1.00 0.00 O ATOM 708 C2' DA B 23 -3.513 10.370 -0.338 1.00 0.00 C ATOM 709 C1' DA B 23 -2.906 9.668 0.878 1.00 0.00 C ATOM 710 N9 DA B 23 -2.475 8.277 0.602 1.00 0.00 N ATOM 711 C8 DA B 23 -3.261 7.201 0.267 1.00 0.00 C ATOM 712 N7 DA B 23 -2.611 6.077 0.104 1.00 0.00 N ATOM 713 C5 DA B 23 -1.289 6.439 0.424 1.00 0.00 C ATOM 714 C6 DA B 23 -0.057 5.744 0.528 1.00 0.00 C ATOM 715 N6 DA B 23 0.075 4.437 0.429 1.00 0.00 N ATOM 716 N1 DA B 23 1.089 6.395 0.742 1.00 0.00 N ATOM 717 C2 DA B 23 1.026 7.706 0.929 1.00 0.00 C ATOM 718 N3 DA B 23 -0.045 8.493 0.896 1.00 0.00 N ATOM 719 C4 DA B 23 -1.188 7.785 0.663 1.00 0.00 C ATOM 0 H5' DA B 23 -6.192 10.154 3.068 1.00 0.00 H new ATOM 0 H5'' DA B 23 -6.685 11.562 2.149 1.00 0.00 H new ATOM 0 H4' DA B 23 -4.352 11.639 2.341 1.00 0.00 H new ATOM 0 H3' DA B 23 -5.434 11.430 -0.354 1.00 0.00 H new ATOM 0 H2' DA B 23 -4.003 9.656 -1.000 1.00 0.00 H new ATOM 0 H2'' DA B 23 -2.745 10.874 -0.925 1.00 0.00 H new ATOM 0 H1' DA B 23 -2.005 10.184 1.209 1.00 0.00 H new ATOM 0 H8 DA B 23 -4.332 7.277 0.148 1.00 0.00 H new ATOM 0 H61 DA B 23 0.997 4.010 0.515 1.00 0.00 H new ATOM 0 H62 DA B 23 -0.745 3.853 0.266 1.00 0.00 H new ATOM 0 H2 DA B 23 1.965 8.198 1.135 1.00 0.00 H new ATOM 731 P DC B 24 -3.887 13.619 -1.089 1.00 0.00 P ATOM 732 OP1 DC B 24 -3.838 15.052 -0.722 1.00 0.00 O ATOM 733 OP2 DC B 24 -4.833 13.149 -2.120 1.00 0.00 O ATOM 734 O5' DC B 24 -2.426 13.225 -1.597 1.00 0.00 O ATOM 735 C5' DC B 24 -1.276 13.573 -0.851 1.00 0.00 C ATOM 736 C4' DC B 24 -0.033 12.920 -1.464 1.00 0.00 C ATOM 737 O4' DC B 24 0.004 11.537 -1.186 1.00 0.00 O ATOM 738 C3' DC B 24 0.035 13.007 -2.994 1.00 0.00 C ATOM 739 O3' DC B 24 0.585 14.236 -3.442 1.00 0.00 O ATOM 740 C2' DC B 24 0.920 11.817 -3.351 1.00 0.00 C ATOM 741 C1' DC B 24 0.897 10.929 -2.099 1.00 0.00 C ATOM 742 N1 DC B 24 0.460 9.535 -2.386 1.00 0.00 N ATOM 743 C2 DC B 24 1.430 8.536 -2.489 1.00 0.00 C ATOM 744 O2 DC B 24 2.630 8.810 -2.440 1.00 0.00 O ATOM 745 N3 DC B 24 1.082 7.245 -2.677 1.00 0.00 N ATOM 746 C4 DC B 24 -0.196 6.937 -2.720 1.00 0.00 C ATOM 747 N4 DC B 24 -0.464 5.670 -2.798 1.00 0.00 N ATOM 748 C5 DC B 24 -1.233 7.911 -2.689 1.00 0.00 C ATOM 749 C6 DC B 24 -0.867 9.210 -2.527 1.00 0.00 C ATOM 0 H5' DC B 24 -1.393 13.251 0.184 1.00 0.00 H new ATOM 0 H5'' DC B 24 -1.157 14.656 -0.836 1.00 0.00 H new ATOM 0 H4' DC B 24 0.793 13.474 -1.018 1.00 0.00 H new ATOM 0 H3' DC B 24 -0.945 12.976 -3.469 1.00 0.00 H new ATOM 0 H2' DC B 24 0.537 11.285 -4.222 1.00 0.00 H new ATOM 0 H2'' DC B 24 1.934 12.135 -3.593 1.00 0.00 H new ATOM 0 HO3' DC B 24 0.610 14.245 -4.422 1.00 0.00 H new ATOM 0 H1' DC B 24 1.907 10.849 -1.696 1.00 0.00 H new ATOM 0 H41 DC B 24 -1.433 5.355 -2.835 1.00 0.00 H new ATOM 0 H42 DC B 24 0.295 4.989 -2.822 1.00 0.00 H new ATOM 0 H5 DC B 24 -2.271 7.629 -2.790 1.00 0.00 H new ATOM 0 H6 DC B 24 -1.619 9.985 -2.509 1.00 0.00 H new TER 762 DC B 24 CONECT 105 127 CONECT 127 105 141 147 157 CONECT 128 129 134 148 CONECT 129 128 130 131 CONECT 130 129 152 153 CONECT 131 129 132 CONECT 132 131 133 138 CONECT 133 132 134 136 CONECT 134 128 133 135 CONECT 135 134 CONECT 136 133 137 CONECT 137 136 138 146 CONECT 138 132 137 139 CONECT 139 138 140 145 149 CONECT 140 139 142 150 151 CONECT 141 127 CONECT 142 140 143 144 154 CONECT 143 142 158 CONECT 144 142 145 146 155 CONECT 145 139 144 CONECT 146 137 144 147 156 CONECT 147 127 146 CONECT 148 128 CONECT 149 139 CONECT 150 140 CONECT 151 140 CONECT 152 130 CONECT 153 130 CONECT 154 142 CONECT 155 144 CONECT 156 146 CONECT 157 127 CONECT 158 143 END