USER MOD reduce.3.24.130724 H: found=0, std=0, add=259, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 259 hydrogens (19 hets) HEADER DNA 25-MAR-97 1AGO TITLE THE SOLUTION NMR STRUCTURE OF AN (S)-A-(N6-ADENYL)-STYRENE TITLE 2 OXIDE-RAS61 OLIGODEOXYNUCLEOTIDE MODIFIED AT THE THIRD TITLE 3 POSITION OF THE CODON 61 REGION, MINIMIZED AVERAGE TITLE 4 STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA (5'-D(*CP*GP*GP*AP*CP*AP*YP*GP*AP*AP*G)-3'); COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 OTHER_DETAILS: (S)-(N6-ADENYL)-STYRENE OXIDE-RAS61-3 DNA COMPND 6 ADDUCT; COMPND 7 MOL_ID: 2; COMPND 8 MOLECULE: DNA (5'-D(*CP*TP*TP*CP*TP*TP*GP*TP*CP*CP*G)-3'); COMPND 9 CHAIN: B; COMPND 0 ENGINEERED: YES; COMPND 1 OTHER_DETAILS: (S)-(N6-ADENYL)-STYRENE OXIDE-RAS61-3 DNA COMPND 2 ADDUCT SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 MOL_ID: 2; SOURCE 4 SYNTHETIC: YES KEYWDS DNA DUPLEX, B-DNA, NMR, HUMAN N-RAS GENE, CODON 61 SEQUENCE, KEYWDS 2 S-STYRENE OXIDE ADDUCT, N6-ADENINE ADDUCT, MAJOR GROOVE KEYWDS 3 ADDUCT, DEOXYRIBONUCLEIC ACID EXPDTA SOLUTION NMR AUTHOR B.FENG,M.P.STONE REVDAT 2 24-FEB-09 1AGO 1 VERSN REVDAT 1 20-AUG-97 1AGO 0 JRNL AUTH B.FENG,M.VOEHLER,L.ZHOU,M.PASSARELLI,C.M.HARRIS, JRNL AUTH 2 T.M.HARRIS,M.P.STONE JRNL TITL MAJOR GROOVE (S)-ALPHA-(N6-ADENYL)STYRENE OXIDE JRNL TITL 2 ADDUCTS IN AN OLIGODEOXYNUCLEOTIDE CONTAINING THE JRNL TITL 3 HUMAN N-RAS CODON 61 SEQUENCE: CONFORMATIONS OF JRNL TITL 4 THE S(61,2) AND S(61,3) SEQUENCE ISOMERS FROM 1H JRNL TITL 5 NMR. JRNL REF BIOCHEMISTRY V. 35 7316 1996 JRNL REFN ISSN 0006-2960 JRNL PMID 8652508 JRNL DOI 10.1021/BI952526F REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH B.FENG,M.P.STONE REMARK 1 TITL SOLUTION STRUCTURE OF AN OLIGODEOXYNUCLEOTIDE REMARK 1 TITL 2 CONTAINING THE HUMAN N-RAS CODON 61 SEQUENCE REMARK 1 TITL 3 REFINED FROM 1H NMR USING MOLECULAR DYNAMICS REMARK 1 TITL 4 RESTRAINED BY NUCLEAR OVERHAUSER EFFECTS REMARK 1 REF CHEM.RES.TOXICOL. V. 8 821 1995 REMARK 1 REFN ISSN 0893-228X REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN REMARK 3 THE JRNL CITATION ABOVE. REMARK 4 REMARK 4 1AGO COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 293 REMARK 210 PH : 6.9 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY, 2QF-COSY, AND TOCSY, : REMARK 210 NOESY, AND(DO, 05'-D REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : AMX500 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : FELIX, X-PLOR, MARDIGRAS, REMARK 210 CORMA REMARK 210 METHOD USED : NOE-RESTRAINED MOLECULAR REMARK 210 DYNAMICS/SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 1 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : THIS STRUCTURE PROVIDED THE REMARK 210 BEST-FIT FOR THE NOE DATA REMARK 210 BASED ON THE RELAXATION MATRIX REMARK 210 ANALYSIS USING CORMA. REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL 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 1 O4' - C1' - N1 ANGL. DEV. = 2.5 DEGREES REMARK 500 DG A 2 O4' - C1' - N9 ANGL. DEV. = 2.6 DEGREES REMARK 500 DG A 2 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 DG A 2 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 DG A 3 O4' - C1' - N9 ANGL. DEV. = 2.8 DEGREES REMARK 500 DG A 3 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 DG A 3 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 DA A 4 O4' - C1' - N9 ANGL. DEV. = 3.0 DEGREES REMARK 500 DA A 4 N7 - C8 - N9 ANGL. DEV. = 3.6 DEGREES REMARK 500 DC A 5 O4' - C1' - N1 ANGL. DEV. = 3.4 DEGREES REMARK 500 DA A 6 OP1 - P - OP2 ANGL. DEV. = -17.3 DEGREES REMARK 500 DA A 6 O5' - P - OP1 ANGL. DEV. = -33.4 DEGREES REMARK 500 DA A 6 O5' - P - OP2 ANGL. DEV. = 16.4 DEGREES REMARK 500 DA A 6 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES REMARK 500 DA A 6 O3' - P - O5' ANGL. DEV. = -36.9 DEGREES REMARK 500 DA A 6 O3' - P - OP2 ANGL. DEV. = -15.9 DEGREES REMARK 500 DA A 6 O3' - P - OP1 ANGL. DEV. = 25.5 DEGREES REMARK 500 DG A 8 O4' - C1' - N9 ANGL. DEV. = 2.9 DEGREES REMARK 500 DG A 8 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 DG A 8 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES REMARK 500 DA A 9 O4' - C1' - N9 ANGL. DEV. = 2.2 DEGREES REMARK 500 DA A 9 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 DA A 10 O4' - C1' - N9 ANGL. DEV. = 2.3 DEGREES REMARK 500 DA A 10 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 DA A 10 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES REMARK 500 DG A 11 O4' - C1' - N9 ANGL. DEV. = 2.2 DEGREES REMARK 500 DG A 11 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 DG A 11 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES REMARK 500 DC B 12 O4' - C1' - N1 ANGL. DEV. = 4.6 DEGREES REMARK 500 DT B 13 OP1 - P - OP2 ANGL. DEV. = -13.6 DEGREES REMARK 500 DT B 13 O5' - P - OP1 ANGL. DEV. = -15.5 DEGREES REMARK 500 DT B 13 O5' - P - OP2 ANGL. DEV. = 26.7 DEGREES REMARK 500 DT B 13 O4' - C1' - N1 ANGL. DEV. = 2.4 DEGREES REMARK 500 DT B 13 O3' - P - O5' ANGL. DEV. = -38.1 DEGREES REMARK 500 DT B 13 O3' - P - OP2 ANGL. DEV. = -33.1 DEGREES REMARK 500 DT B 13 O3' - P - OP1 ANGL. DEV. = 10.9 DEGREES REMARK 500 DT B 14 O4' - C1' - N1 ANGL. DEV. = 3.0 DEGREES REMARK 500 DC B 15 O4' - C1' - N1 ANGL. DEV. = 2.6 DEGREES REMARK 500 DT B 16 O4' - C1' - N1 ANGL. DEV. = 3.1 DEGREES REMARK 500 DT B 17 O4' - C1' - N1 ANGL. DEV. = 2.9 DEGREES REMARK 500 DG B 18 O4' - C1' - N9 ANGL. DEV. = 2.6 DEGREES REMARK 500 DG B 18 N7 - C8 - N9 ANGL. DEV. = 4.4 DEGREES REMARK 500 DG B 18 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES REMARK 500 DT B 19 O4' - C1' - N1 ANGL. DEV. = 2.7 DEGREES REMARK 500 DC B 20 O4' - C1' - N1 ANGL. DEV. = 2.2 DEGREES REMARK 500 DC B 21 O4' - C1' - N1 ANGL. DEV. = 2.7 DEGREES REMARK 500 DG B 22 O4' - C1' - N9 ANGL. DEV. = 2.2 DEGREES REMARK 500 DG B 22 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 DG B 22 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1AGK RELATED DB: PDB REMARK 900 MINIMIZED AVERAGE STRUCTURE REMARK 900 RELATED ID: 1AGZ RELATED DB: PDB REMARK 900 MINIMIZED AVERAGE STRUCTURE DBREF 1AGO A 1 11 PDB 1AGO 1AGO 1 11 DBREF 1AGO B 12 22 PDB 1AGO 1AGO 12 22 SEQRES 1 A 11 DC DG DG DA DC DA Y DG DA DA DG SEQRES 1 B 11 DC DT DT DC DT DT DG DT DC DC DG MODRES 1AGO Y A 7 DA HET Y A 7 49 HETNAM Y 2'-DEOXY-N6-(S)STYRENE OXIDE ADENOSINE MONOPHOSPHATE FORMUL 1 Y C18 H22 N5 O7 P LINK P Y A 7 O3' DA A 6 1555 1555 1.63 LINK O3' Y A 7 P DG A 8 1555 1555 1.61 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 14:sc= 0.366 USER MOD Single : A 7 Y OB : rot 165:sc= 0.215 USER MOD Single : A 11 DG O3' : rot 180:sc= 0 USER MOD Single : B 12 DC O5' : rot 180:sc= 0 USER MOD Single : B 13 DT C7 :methyl -30:sc= -0.927 (180deg=-3.4!) USER MOD Single : B 14 DT C7 :methyl -30:sc= -1 (180deg=-1.6) USER MOD Single : B 16 DT C7 :methyl 150:sc= -0.975 (180deg=-0.975) USER MOD Single : B 17 DT C7 :methyl -30:sc= -1.09 (180deg=-1.29) USER MOD Single : B 19 DT C7 :methyl 150:sc= -1.44 (180deg=-1.44) USER MOD Single : B 22 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -0.301 -6.842 -1.548 1.00 1.96 O ATOM 2 C5' DC A 1 1.002 -7.238 -1.982 1.00 1.86 C ATOM 3 C4' DC A 1 2.098 -6.407 -1.311 1.00 1.60 C ATOM 4 O4' DC A 1 1.718 -5.014 -1.272 1.00 1.41 O ATOM 5 C3' DC A 1 2.350 -6.875 0.123 1.00 1.49 C ATOM 6 O3' DC A 1 3.738 -7.239 0.286 1.00 1.49 O ATOM 7 C2' DC A 1 1.958 -5.706 1.001 1.00 1.23 C ATOM 8 C1' DC A 1 1.805 -4.509 0.076 1.00 1.17 C ATOM 9 N1 DC A 1 0.612 -3.682 0.408 1.00 1.08 N ATOM 10 C2 DC A 1 0.795 -2.308 0.470 1.00 0.96 C ATOM 11 O2 DC A 1 1.917 -1.829 0.345 1.00 1.02 O ATOM 12 N3 DC A 1 -0.291 -1.517 0.688 1.00 0.93 N ATOM 13 C4 DC A 1 -1.510 -2.040 0.842 1.00 0.98 C ATOM 14 N4 DC A 1 -2.555 -1.226 1.012 1.00 0.96 N ATOM 15 C5 DC A 1 -1.709 -3.455 0.792 1.00 1.19 C ATOM 16 C6 DC A 1 -0.628 -4.236 0.574 1.00 1.25 C ATOM 0 H5' DC A 1 1.074 -7.129 -3.064 1.00 1.86 H new ATOM 0 H5'' DC A 1 1.156 -8.293 -1.757 1.00 1.86 H new ATOM 0 H4' DC A 1 3.007 -6.536 -1.898 1.00 1.60 H new ATOM 0 H3' DC A 1 1.773 -7.762 0.386 1.00 1.49 H new ATOM 0 H2' DC A 1 1.026 -5.911 1.528 1.00 1.23 H new ATOM 0 H2'' DC A 1 2.718 -5.517 1.759 1.00 1.23 H new ATOM 0 HO5' DC A 1 -0.243 -5.981 -1.083 1.00 1.96 H new ATOM 0 H1' DC A 1 2.666 -3.851 0.193 1.00 1.17 H new ATOM 0 H41 DC A 1 -3.490 -1.615 1.131 1.00 0.96 H new ATOM 0 H42 DC A 1 -2.418 -0.215 1.023 1.00 0.96 H new ATOM 0 H5 DC A 1 -2.691 -3.885 0.924 1.00 1.19 H new ATOM 0 H6 DC A 1 -0.744 -5.309 0.530 1.00 1.25 H new ATOM 29 P DG A 2 4.404 -7.509 1.740 1.00 1.84 P ATOM 30 OP1 DG A 2 5.512 -8.479 1.573 1.00 2.65 O ATOM 31 OP2 DG A 2 3.325 -7.792 2.718 1.00 2.63 O ATOM 32 O5' DG A 2 5.051 -6.076 2.107 1.00 1.41 O ATOM 33 C5' DG A 2 6.315 -5.677 1.566 1.00 1.28 C ATOM 34 C4' DG A 2 6.838 -4.429 2.267 1.00 1.06 C ATOM 35 O4' DG A 2 5.865 -3.365 2.181 1.00 0.93 O ATOM 36 C3' DG A 2 7.106 -4.715 3.740 1.00 0.98 C ATOM 37 O3' DG A 2 8.472 -4.392 4.071 1.00 1.02 O ATOM 38 C2' DG A 2 6.110 -3.870 4.503 1.00 0.90 C ATOM 39 C1' DG A 2 5.493 -2.914 3.499 1.00 0.83 C ATOM 40 N9 DG A 2 4.022 -2.856 3.642 1.00 0.78 N ATOM 41 C8 DG A 2 3.115 -3.859 3.756 1.00 0.86 C ATOM 42 N7 DG A 2 1.867 -3.532 3.829 1.00 0.83 N ATOM 43 C5 DG A 2 1.933 -2.138 3.753 1.00 0.71 C ATOM 44 C6 DG A 2 0.890 -1.175 3.776 1.00 0.65 C ATOM 45 O6 DG A 2 -0.321 -1.363 3.860 1.00 0.70 O ATOM 46 N1 DG A 2 1.389 0.116 3.678 1.00 0.60 N ATOM 47 C2 DG A 2 2.725 0.448 3.568 1.00 0.62 C ATOM 48 N2 DG A 2 3.010 1.747 3.494 1.00 0.67 N ATOM 49 N3 DG A 2 3.711 -0.451 3.547 1.00 0.66 N ATOM 50 C4 DG A 2 3.249 -1.718 3.638 1.00 0.69 C ATOM 0 H5' DG A 2 6.213 -5.483 0.498 1.00 1.28 H new ATOM 0 H5'' DG A 2 7.034 -6.489 1.675 1.00 1.28 H new ATOM 0 H4' DG A 2 7.764 -4.132 1.775 1.00 1.06 H new ATOM 0 H3' DG A 2 6.983 -5.768 3.992 1.00 0.98 H new ATOM 0 H2' DG A 2 5.345 -4.495 4.964 1.00 0.90 H new ATOM 0 H2'' DG A 2 6.602 -3.323 5.307 1.00 0.90 H new ATOM 0 H1' DG A 2 5.862 -1.903 3.673 1.00 0.83 H new ATOM 0 H8 DG A 2 3.425 -4.893 3.785 1.00 0.86 H new ATOM 0 H1 DG A 2 0.715 0.881 3.688 1.00 0.60 H new ATOM 0 H21 DG A 2 3.980 2.052 3.412 1.00 0.67 H new ATOM 0 H22 DG A 2 2.259 2.436 3.520 1.00 0.67 H new ATOM 62 P DG A 3 8.936 -4.139 5.595 1.00 1.18 P ATOM 63 OP1 DG A 3 10.412 -4.027 5.623 1.00 1.49 O ATOM 64 OP2 DG A 3 8.249 -5.118 6.472 1.00 2.26 O ATOM 65 O5' DG A 3 8.319 -2.685 5.880 1.00 0.98 O ATOM 66 C5' DG A 3 8.745 -1.559 5.114 1.00 0.98 C ATOM 67 C4' DG A 3 8.192 -0.273 5.701 1.00 0.87 C ATOM 68 O4' DG A 3 6.757 -0.221 5.539 1.00 0.76 O ATOM 69 C3' DG A 3 8.504 -0.201 7.192 1.00 0.85 C ATOM 70 O3' DG A 3 9.336 0.935 7.483 1.00 0.93 O ATOM 71 C2' DG A 3 7.161 -0.112 7.883 1.00 0.78 C ATOM 72 C1' DG A 3 6.132 0.116 6.793 1.00 0.72 C ATOM 73 N9 DG A 3 4.919 -0.697 7.018 1.00 0.67 N ATOM 74 C8 DG A 3 4.794 -2.020 7.293 1.00 0.72 C ATOM 75 N7 DG A 3 3.600 -2.496 7.417 1.00 0.69 N ATOM 76 C5 DG A 3 2.817 -1.357 7.207 1.00 0.61 C ATOM 77 C6 DG A 3 1.404 -1.210 7.212 1.00 0.56 C ATOM 78 O6 DG A 3 0.546 -2.070 7.398 1.00 0.58 O ATOM 79 N1 DG A 3 1.028 0.102 6.959 1.00 0.53 N ATOM 80 C2 DG A 3 1.898 1.148 6.729 1.00 0.54 C ATOM 81 N2 DG A 3 1.345 2.341 6.516 1.00 0.57 N ATOM 82 N3 DG A 3 3.226 1.018 6.719 1.00 0.58 N ATOM 83 C4 DG A 3 3.618 -0.252 6.965 1.00 0.60 C ATOM 0 H5' DG A 3 8.411 -1.667 4.082 1.00 0.98 H new ATOM 0 H5'' DG A 3 9.834 -1.517 5.094 1.00 0.98 H new ATOM 0 H4' DG A 3 8.656 0.563 5.177 1.00 0.87 H new ATOM 0 H3' DG A 3 9.062 -1.071 7.538 1.00 0.85 H new ATOM 0 H2' DG A 3 6.946 -1.028 8.434 1.00 0.78 H new ATOM 0 H2'' DG A 3 7.149 0.705 8.605 1.00 0.78 H new ATOM 0 H1' DG A 3 5.808 1.157 6.792 1.00 0.72 H new ATOM 0 H8 DG A 3 5.662 -2.652 7.404 1.00 0.72 H new ATOM 0 H1 DG A 3 0.029 0.309 6.942 1.00 0.53 H new ATOM 0 H21 DG A 3 1.936 3.153 6.340 1.00 0.57 H new ATOM 0 H22 DG A 3 0.330 2.442 6.529 1.00 0.57 H new ATOM 95 P DA A 4 9.550 1.448 8.997 1.00 0.97 P ATOM 96 OP1 DA A 4 10.682 2.402 9.009 1.00 1.59 O ATOM 97 OP2 DA A 4 9.556 0.272 9.899 1.00 1.78 O ATOM 98 O5' DA A 4 8.191 2.267 9.260 1.00 0.95 O ATOM 99 C5' DA A 4 7.833 3.384 8.442 1.00 0.97 C ATOM 100 C4' DA A 4 6.546 4.034 8.939 1.00 0.90 C ATOM 101 O4' DA A 4 5.424 3.133 8.763 1.00 0.78 O ATOM 102 C3' DA A 4 6.642 4.380 10.424 1.00 0.94 C ATOM 103 O3' DA A 4 6.323 5.762 10.617 1.00 1.04 O ATOM 104 C2' DA A 4 5.639 3.483 11.105 1.00 0.80 C ATOM 105 C1' DA A 4 4.711 3.003 10.009 1.00 0.71 C ATOM 106 N9 DA A 4 4.275 1.612 10.235 1.00 0.62 N ATOM 107 C8 DA A 4 5.003 0.510 10.533 1.00 0.59 C ATOM 108 N7 DA A 4 4.364 -0.603 10.682 1.00 0.55 N ATOM 109 C5 DA A 4 3.044 -0.202 10.454 1.00 0.54 C ATOM 110 C6 DA A 4 1.828 -0.895 10.453 1.00 0.53 C ATOM 111 N6 DA A 4 1.731 -2.204 10.687 1.00 0.55 N ATOM 112 N1 DA A 4 0.714 -0.190 10.191 1.00 0.55 N ATOM 113 C2 DA A 4 0.784 1.119 9.941 1.00 0.59 C ATOM 114 N3 DA A 4 1.878 1.873 9.919 1.00 0.61 N ATOM 115 C4 DA A 4 2.983 1.143 10.181 1.00 0.58 C ATOM 0 H5' DA A 4 7.705 3.057 7.410 1.00 0.97 H new ATOM 0 H5'' DA A 4 8.640 4.117 8.447 1.00 0.97 H new ATOM 0 H4' DA A 4 6.399 4.944 8.358 1.00 0.90 H new ATOM 0 H3' DA A 4 7.642 4.228 10.830 1.00 0.94 H new ATOM 0 H2' DA A 4 6.133 2.644 11.595 1.00 0.80 H new ATOM 0 H2'' DA A 4 5.089 4.024 11.875 1.00 0.80 H new ATOM 0 H1' DA A 4 3.801 3.603 9.995 1.00 0.71 H new ATOM 0 H8 DA A 4 6.076 0.559 10.642 1.00 0.59 H new ATOM 0 H61 DA A 4 0.818 -2.658 10.674 1.00 0.55 H new ATOM 0 H62 DA A 4 2.570 -2.751 10.879 1.00 0.55 H new ATOM 0 H2 DA A 4 -0.150 1.620 9.734 1.00 0.59 H new ATOM 127 P DC A 5 6.085 6.393 12.088 1.00 1.12 P ATOM 128 OP1 DC A 5 6.458 7.827 12.035 1.00 1.69 O ATOM 129 OP2 DC A 5 6.740 5.495 13.057 1.00 1.81 O ATOM 130 O5' DC A 5 4.474 6.254 12.288 1.00 1.01 O ATOM 131 C5' DC A 5 3.536 6.991 11.477 1.00 1.03 C ATOM 132 C4' DC A 5 2.058 6.697 11.828 1.00 0.95 C ATOM 133 O4' DC A 5 1.767 5.289 11.691 1.00 0.83 O ATOM 134 C3' DC A 5 1.708 7.092 13.260 1.00 0.98 C ATOM 135 O3' DC A 5 0.406 7.747 13.311 1.00 1.01 O ATOM 136 C2' DC A 5 1.659 5.788 13.997 1.00 0.89 C ATOM 137 C1' DC A 5 1.258 4.786 12.940 1.00 0.78 C ATOM 138 N1 DC A 5 1.771 3.433 13.233 1.00 0.71 N ATOM 139 C2 DC A 5 0.865 2.385 13.158 1.00 0.65 C ATOM 140 O2 DC A 5 -0.316 2.604 12.895 1.00 0.69 O ATOM 141 N3 DC A 5 1.313 1.127 13.392 1.00 0.62 N ATOM 142 C4 DC A 5 2.597 0.898 13.689 1.00 0.62 C ATOM 143 N4 DC A 5 2.996 -0.352 13.905 1.00 0.62 N ATOM 144 C5 DC A 5 3.539 1.973 13.770 1.00 0.70 C ATOM 145 C6 DC A 5 3.085 3.220 13.535 1.00 0.75 C ATOM 0 H5' DC A 5 3.707 6.751 10.428 1.00 1.03 H new ATOM 0 H5'' DC A 5 3.725 8.058 11.595 1.00 1.03 H new ATOM 0 H4' DC A 5 1.466 7.291 11.132 1.00 0.95 H new ATOM 0 H3' DC A 5 2.426 7.793 13.685 1.00 0.98 H new ATOM 0 H2' DC A 5 2.626 5.541 14.435 1.00 0.89 H new ATOM 0 H2'' DC A 5 0.937 5.818 14.813 1.00 0.89 H new ATOM 0 H1' DC A 5 0.174 4.678 12.906 1.00 0.78 H new ATOM 0 H41 DC A 5 3.972 -0.544 14.133 1.00 0.62 H new ATOM 0 H42 DC A 5 2.326 -1.119 13.843 1.00 0.62 H new ATOM 0 H5 DC A 5 4.576 1.791 14.011 1.00 0.70 H new ATOM 0 H6 DC A 5 3.766 4.057 13.586 1.00 0.75 H new ATOM 157 P DA A 6 0.032 8.830 14.470 1.00 1.07 P ATOM 158 OP1 DA A 6 -0.668 8.795 15.776 1.00 1.67 O ATOM 159 OP2 DA A 6 1.460 8.861 14.878 1.00 1.73 O ATOM 160 O5' DA A 6 -0.967 7.530 14.465 1.00 1.03 O ATOM 161 C5' DA A 6 -2.337 7.695 13.938 1.00 0.91 C ATOM 162 C4' DA A 6 -3.399 6.807 14.630 1.00 0.87 C ATOM 163 O4' DA A 6 -3.032 5.420 14.554 1.00 0.86 O ATOM 164 C3' DA A 6 -3.640 7.162 16.109 1.00 0.86 C ATOM 165 O3' DA A 6 -5.023 7.540 16.316 1.00 0.89 O ATOM 166 C2' DA A 6 -3.319 5.905 16.874 1.00 0.81 C ATOM 167 C1' DA A 6 -3.168 4.794 15.848 1.00 0.81 C ATOM 168 N9 DA A 6 -1.983 3.986 16.134 1.00 0.78 N ATOM 169 C8 DA A 6 -0.689 4.368 16.132 1.00 0.79 C ATOM 170 N7 DA A 6 0.199 3.465 16.345 1.00 0.77 N ATOM 171 C5 DA A 6 -0.591 2.330 16.519 1.00 0.74 C ATOM 172 C6 DA A 6 -0.268 1.004 16.781 1.00 0.73 C ATOM 173 N6 DA A 6 0.989 0.589 16.913 1.00 0.73 N ATOM 174 N1 DA A 6 -1.281 0.129 16.896 1.00 0.73 N ATOM 175 C2 DA A 6 -2.546 0.539 16.760 1.00 0.73 C ATOM 176 N3 DA A 6 -2.966 1.778 16.502 1.00 0.74 N ATOM 177 C4 DA A 6 -1.924 2.632 16.392 1.00 0.75 C ATOM 0 H5' DA A 6 -2.332 7.471 12.871 1.00 0.91 H new ATOM 0 H5'' DA A 6 -2.630 8.740 14.043 1.00 0.91 H new ATOM 0 H4' DA A 6 -4.325 6.997 14.087 1.00 0.87 H new ATOM 0 H3' DA A 6 -3.028 8.004 16.433 1.00 0.86 H new ATOM 0 H2' DA A 6 -2.402 6.027 17.450 1.00 0.81 H new ATOM 0 H2'' DA A 6 -4.113 5.671 17.584 1.00 0.81 H new ATOM 0 H1' DA A 6 -4.035 4.135 15.876 1.00 0.81 H new ATOM 0 H8 DA A 6 -0.410 5.397 15.957 1.00 0.79 H new ATOM 0 H61 DA A 6 1.184 -0.394 17.105 1.00 0.73 H new ATOM 0 H62 DA A 6 1.758 1.253 16.822 1.00 0.73 H new ATOM 0 H2 DA A 6 -3.311 -0.215 16.871 1.00 0.73 H new HETATM 189 P Y A 7 -5.676 7.708 17.796 1.00 1.34 P HETATM 190 OP1 Y A 7 -7.016 8.321 17.637 1.00 2.07 O HETATM 191 OP2 Y A 7 -4.679 8.357 18.680 1.00 2.06 O HETATM 192 O5' Y A 7 -5.879 6.182 18.307 1.00 1.18 O HETATM 193 C5' Y A 7 -6.892 5.336 17.749 1.00 0.81 C HETATM 194 C4' Y A 7 -6.904 3.948 18.398 1.00 0.78 C HETATM 195 O4' Y A 7 -5.614 3.309 18.271 1.00 0.75 O HETATM 196 C3' Y A 7 -7.244 4.022 19.888 1.00 0.74 C HETATM 197 O3' Y A 7 -8.527 3.409 20.130 1.00 0.81 O HETATM 198 C2' Y A 7 -6.116 3.293 20.593 1.00 0.67 C HETATM 199 C1' Y A 7 -5.287 2.639 19.503 1.00 0.68 C HETATM 200 N9 Y A 7 -3.838 2.723 19.787 1.00 0.63 N HETATM 201 C8 Y A 7 -3.056 3.814 20.002 1.00 0.64 C HETATM 202 N7 Y A 7 -1.793 3.617 20.163 1.00 0.62 N HETATM 203 C5 Y A 7 -1.696 2.225 20.046 1.00 0.58 C HETATM 204 C6 Y A 7 -0.612 1.336 20.118 1.00 0.58 C HETATM 205 N6 Y A 7 0.671 1.757 20.316 1.00 0.60 N HETATM 206 N1 Y A 7 -0.896 0.006 19.960 1.00 0.58 N HETATM 207 C2 Y A 7 -2.150 -0.397 19.750 1.00 0.58 C HETATM 208 N3 Y A 7 -3.236 0.368 19.666 1.00 0.58 N HETATM 209 C4 Y A 7 -2.938 1.670 19.823 1.00 0.59 C HETATM 210 CA Y A 7 0.976 3.216 20.451 1.00 0.61 C HETATM 211 CB Y A 7 0.895 3.888 19.078 1.00 0.69 C HETATM 212 OB Y A 7 1.866 3.318 18.213 1.00 1.13 O HETATM 213 CJ Y A 7 2.370 3.407 21.004 1.00 0.64 C HETATM 214 CO Y A 7 3.469 2.754 20.424 1.00 1.33 C HETATM 215 CO' Y A 7 2.563 4.272 22.093 1.00 1.39 C HETATM 216 CM Y A 7 4.756 2.963 20.949 1.00 1.38 C HETATM 217 CM' Y A 7 3.858 4.480 22.607 1.00 1.43 C HETATM 218 CP Y A 7 4.949 3.821 22.034 1.00 0.81 C HETATM 0 H5'' Y A 7 -7.867 5.805 17.878 1.00 0.81 H new HETATM 0 H2'' Y A 7 -5.512 3.985 21.179 1.00 0.67 H new HETATM 0 HP Y A 7 5.951 3.977 22.434 1.00 0.81 H new HETATM 0 HO' Y A 7 1.711 4.783 22.541 1.00 1.39 H new HETATM 0 HO Y A 7 3.325 2.089 19.572 1.00 1.33 H new HETATM 0 HM' Y A 7 4.009 5.154 23.450 1.00 1.43 H new HETATM 0 HM Y A 7 5.610 2.451 20.506 1.00 1.38 H new HETATM 0 HB2 Y A 7 -0.102 3.760 18.657 1.00 0.69 H new HETATM 0 HB1 Y A 7 1.064 4.960 19.176 1.00 0.69 H new HETATM 0 HB Y A 7 1.667 3.570 17.287 1.00 1.13 H new HETATM 0 HA Y A 7 0.249 3.663 21.129 1.00 0.61 H new HETATM 0 H8 Y A 7 -3.481 4.817 20.037 1.00 0.64 H new HETATM 0 H6 Y A 7 1.426 1.074 20.372 1.00 0.60 H new HETATM 0 H5' Y A 7 -6.728 5.233 16.676 1.00 0.81 H new HETATM 0 H4' Y A 7 -7.668 3.371 17.877 1.00 0.78 H new HETATM 0 H3' Y A 7 -7.326 5.045 20.254 1.00 0.74 H new HETATM 0 H2' Y A 7 -6.507 2.547 21.285 1.00 0.67 H new HETATM 0 H2 Y A 7 -2.302 -1.470 19.635 1.00 0.58 H new HETATM 0 H1' Y A 7 -5.517 1.575 19.442 1.00 0.68 H new ATOM 238 P DG A 8 -9.016 3.016 21.616 1.00 0.97 P ATOM 239 OP1 DG A 8 -10.449 2.645 21.554 1.00 1.40 O ATOM 240 OP2 DG A 8 -8.564 4.065 22.561 1.00 2.05 O ATOM 241 O5' DG A 8 -8.168 1.684 21.900 1.00 0.89 O ATOM 242 C5' DG A 8 -8.459 0.475 21.199 1.00 0.92 C ATOM 243 C4' DG A 8 -7.733 -0.698 21.834 1.00 0.80 C ATOM 244 O4' DG A 8 -6.306 -0.584 21.628 1.00 0.73 O ATOM 245 C3' DG A 8 -7.993 -0.727 23.336 1.00 0.75 C ATOM 246 O3' DG A 8 -8.654 -1.950 23.705 1.00 0.80 O ATOM 247 C2' DG A 8 -6.629 -0.592 23.982 1.00 0.65 C ATOM 248 C1' DG A 8 -5.616 -0.811 22.871 1.00 0.63 C ATOM 249 N9 DG A 8 -4.440 0.082 23.002 1.00 0.57 N ATOM 250 C8 DG A 8 -4.372 1.437 23.080 1.00 0.55 C ATOM 251 N7 DG A 8 -3.197 1.975 23.145 1.00 0.52 N ATOM 252 C5 DG A 8 -2.366 0.852 23.105 1.00 0.52 C ATOM 253 C6 DG A 8 -0.947 0.765 23.139 1.00 0.53 C ATOM 254 O6 DG A 8 -0.125 1.678 23.202 1.00 0.55 O ATOM 255 N1 DG A 8 -0.516 -0.553 23.081 1.00 0.56 N ATOM 256 C2 DG A 8 -1.341 -1.658 22.997 1.00 0.57 C ATOM 257 N2 DG A 8 -0.739 -2.846 22.966 1.00 0.60 N ATOM 258 N3 DG A 8 -2.674 -1.584 22.962 1.00 0.56 N ATOM 259 C4 DG A 8 -3.119 -0.309 23.017 1.00 0.54 C ATOM 0 H5' DG A 8 -8.161 0.573 20.155 1.00 0.92 H new ATOM 0 H5'' DG A 8 -9.534 0.293 21.208 1.00 0.92 H new ATOM 0 H4' DG A 8 -8.104 -1.611 21.368 1.00 0.80 H new ATOM 0 H3' DG A 8 -8.654 0.076 23.663 1.00 0.75 H new ATOM 0 H2' DG A 8 -6.507 0.393 24.433 1.00 0.65 H new ATOM 0 H2'' DG A 8 -6.500 -1.325 24.778 1.00 0.65 H new ATOM 0 H1' DG A 8 -5.220 -1.825 22.920 1.00 0.63 H new ATOM 0 H8 DG A 8 -5.266 2.043 23.087 1.00 0.55 H new ATOM 0 H1 DG A 8 0.490 -0.719 23.102 1.00 0.56 H new ATOM 0 H21 DG A 8 -1.296 -3.698 22.904 1.00 0.60 H new ATOM 0 H22 DG A 8 0.279 -2.903 23.004 1.00 0.60 H new ATOM 271 P DA A 9 -8.887 -2.348 25.249 1.00 1.24 P ATOM 272 OP1 DA A 9 -9.986 -3.344 25.311 1.00 2.07 O ATOM 273 OP2 DA A 9 -8.970 -1.102 26.049 1.00 2.10 O ATOM 274 O5' DA A 9 -7.509 -3.092 25.615 1.00 1.00 O ATOM 275 C5' DA A 9 -7.151 -4.325 24.982 1.00 1.04 C ATOM 276 C4' DA A 9 -5.886 -4.909 25.596 1.00 0.91 C ATOM 277 O4' DA A 9 -4.765 -4.030 25.367 1.00 0.77 O ATOM 278 C3' DA A 9 -6.047 -5.097 27.102 1.00 0.86 C ATOM 279 O3' DA A 9 -5.797 -6.473 27.451 1.00 0.99 O ATOM 280 C2' DA A 9 -5.048 -4.150 27.731 1.00 0.71 C ATOM 281 C1' DA A 9 -4.114 -3.717 26.614 1.00 0.64 C ATOM 282 N9 DA A 9 -3.790 -2.275 26.683 1.00 0.51 N ATOM 283 C8 DA A 9 -4.599 -1.203 26.885 1.00 0.51 C ATOM 284 N7 DA A 9 -4.062 -0.029 26.814 1.00 0.41 N ATOM 285 C5 DA A 9 -2.730 -0.345 26.533 1.00 0.35 C ATOM 286 C6 DA A 9 -1.591 0.443 26.327 1.00 0.35 C ATOM 287 N6 DA A 9 -1.609 1.775 26.346 1.00 0.40 N ATOM 288 N1 DA A 9 -0.434 -0.197 26.078 1.00 0.38 N ATOM 289 C2 DA A 9 -0.395 -1.529 26.029 1.00 0.37 C ATOM 290 N3 DA A 9 -1.409 -2.368 26.208 1.00 0.39 N ATOM 291 C4 DA A 9 -2.556 -1.708 26.458 1.00 0.40 C ATOM 0 H5' DA A 9 -6.998 -4.159 23.916 1.00 1.04 H new ATOM 0 H5'' DA A 9 -7.969 -5.038 25.080 1.00 1.04 H new ATOM 0 H4' DA A 9 -5.709 -5.875 25.124 1.00 0.91 H new ATOM 0 H3' DA A 9 -7.054 -4.876 27.455 1.00 0.86 H new ATOM 0 H2' DA A 9 -5.551 -3.290 28.173 1.00 0.71 H new ATOM 0 H2'' DA A 9 -4.496 -4.642 28.532 1.00 0.71 H new ATOM 0 H1' DA A 9 -3.165 -4.246 26.707 1.00 0.64 H new ATOM 0 H8 DA A 9 -5.651 -1.326 27.097 1.00 0.51 H new ATOM 0 H61 DA A 9 -0.748 2.299 26.189 1.00 0.40 H new ATOM 0 H62 DA A 9 -2.484 2.271 26.517 1.00 0.40 H new ATOM 0 H2 DA A 9 0.567 -1.974 25.821 1.00 0.37 H new ATOM 303 P DA A 10 -5.546 -6.942 28.975 1.00 0.63 P ATOM 304 OP1 DA A 10 -5.631 -8.421 29.017 1.00 1.31 O ATOM 305 OP2 DA A 10 -6.403 -6.125 29.872 1.00 1.61 O ATOM 306 O5' DA A 10 -4.008 -6.526 29.203 1.00 0.64 O ATOM 307 C5' DA A 10 -2.971 -7.223 28.504 1.00 0.76 C ATOM 308 C4' DA A 10 -1.596 -6.902 29.073 1.00 0.80 C ATOM 309 O4' DA A 10 -1.279 -5.501 28.891 1.00 0.73 O ATOM 310 C3' DA A 10 -1.569 -7.198 30.564 1.00 0.80 C ATOM 311 O3' DA A 10 -0.394 -7.946 30.910 1.00 0.89 O ATOM 312 C2' DA A 10 -1.589 -5.843 31.228 1.00 0.73 C ATOM 313 C1' DA A 10 -1.089 -4.868 30.174 1.00 0.70 C ATOM 314 N9 DA A 10 -1.780 -3.554 30.217 1.00 0.63 N ATOM 315 C8 DA A 10 -3.072 -3.236 30.501 1.00 0.68 C ATOM 316 N7 DA A 10 -3.413 -1.989 30.416 1.00 0.66 N ATOM 317 C5 DA A 10 -2.210 -1.392 30.026 1.00 0.58 C ATOM 318 C6 DA A 10 -1.850 -0.065 29.749 1.00 0.57 C ATOM 319 N6 DA A 10 -2.705 0.958 29.820 1.00 0.61 N ATOM 320 N1 DA A 10 -0.575 0.167 29.394 1.00 0.60 N ATOM 321 C2 DA A 10 0.299 -0.837 29.312 1.00 0.64 C ATOM 322 N3 DA A 10 0.068 -2.122 29.551 1.00 0.63 N ATOM 323 C4 DA A 10 -1.215 -2.335 29.906 1.00 0.59 C ATOM 0 H5' DA A 10 -3.000 -6.955 27.448 1.00 0.76 H new ATOM 0 H5'' DA A 10 -3.149 -8.297 28.565 1.00 0.76 H new ATOM 0 H4' DA A 10 -0.866 -7.517 28.546 1.00 0.80 H new ATOM 0 H3' DA A 10 -2.412 -7.810 30.885 1.00 0.80 H new ATOM 0 H2' DA A 10 -2.595 -5.582 31.558 1.00 0.73 H new ATOM 0 H2'' DA A 10 -0.950 -5.829 32.111 1.00 0.73 H new ATOM 0 H1' DA A 10 -0.039 -4.647 30.363 1.00 0.70 H new ATOM 0 H8 DA A 10 -3.786 -3.994 30.786 1.00 0.68 H new ATOM 0 H61 DA A 10 -2.388 1.904 29.607 1.00 0.61 H new ATOM 0 H62 DA A 10 -3.676 0.794 30.087 1.00 0.61 H new ATOM 0 H2 DA A 10 1.305 -0.576 29.019 1.00 0.64 H new ATOM 335 P DG A 11 -0.040 -8.294 32.446 1.00 1.59 P ATOM 336 OP1 DG A 11 0.679 -9.594 32.472 1.00 2.54 O ATOM 337 OP2 DG A 11 -1.259 -8.093 33.274 1.00 2.35 O ATOM 338 O5' DG A 11 1.017 -7.143 32.816 1.00 1.26 O ATOM 339 C5' DG A 11 2.339 -7.209 32.292 1.00 1.37 C ATOM 340 C4' DG A 11 3.285 -6.305 33.065 1.00 1.18 C ATOM 341 O4' DG A 11 3.066 -4.920 32.720 1.00 1.04 O ATOM 342 C3' DG A 11 3.056 -6.470 34.559 1.00 1.20 C ATOM 343 O3' DG A 11 4.280 -6.779 35.227 1.00 1.26 O ATOM 344 C2' DG A 11 2.490 -5.153 35.031 1.00 1.11 C ATOM 345 C1' DG A 11 2.688 -4.165 33.890 1.00 1.00 C ATOM 346 N9 DG A 11 1.461 -3.380 33.627 1.00 0.90 N ATOM 347 C8 DG A 11 0.162 -3.774 33.603 1.00 0.88 C ATOM 348 N7 DG A 11 -0.732 -2.876 33.351 1.00 0.84 N ATOM 349 C5 DG A 11 0.052 -1.731 33.184 1.00 0.82 C ATOM 350 C6 DG A 11 -0.337 -0.399 32.883 1.00 0.81 C ATOM 351 O6 DG A 11 -1.470 0.046 32.712 1.00 0.84 O ATOM 352 N1 DG A 11 0.762 0.446 32.802 1.00 0.81 N ATOM 353 C2 DG A 11 2.077 0.062 32.979 1.00 0.82 C ATOM 354 N2 DG A 11 2.998 1.019 32.855 1.00 0.83 N ATOM 355 N3 DG A 11 2.452 -1.189 33.261 1.00 0.85 N ATOM 356 C4 DG A 11 1.396 -2.032 33.346 1.00 0.85 C ATOM 0 H5' DG A 11 2.331 -6.918 31.242 1.00 1.37 H new ATOM 0 H5'' DG A 11 2.699 -8.237 32.335 1.00 1.37 H new ATOM 0 H4' DG A 11 4.305 -6.587 32.806 1.00 1.18 H new ATOM 0 H3' DG A 11 2.375 -7.293 34.777 1.00 1.20 H new ATOM 0 H2' DG A 11 1.433 -5.252 35.280 1.00 1.11 H new ATOM 0 H2'' DG A 11 3.000 -4.812 35.932 1.00 1.11 H new ATOM 0 HO3' DG A 11 4.112 -6.880 36.187 1.00 1.26 H new ATOM 0 H1' DG A 11 3.465 -3.449 34.157 1.00 1.00 H new ATOM 0 H8 DG A 11 -0.114 -4.802 33.788 1.00 0.88 H new ATOM 0 H1 DG A 11 0.584 1.429 32.595 1.00 0.81 H new ATOM 0 H21 DG A 11 3.986 0.795 32.975 1.00 0.83 H new ATOM 0 H22 DG A 11 2.714 1.975 32.640 1.00 0.83 H new TER 369 DG A 11 ATOM 370 O5' DC B 12 -0.506 8.470 35.255 1.00 1.86 O ATOM 371 C5' DC B 12 0.819 8.635 35.759 1.00 1.48 C ATOM 372 C4' DC B 12 1.825 7.801 34.969 1.00 1.32 C ATOM 373 O4' DC B 12 1.395 6.419 34.926 1.00 1.21 O ATOM 374 C3' DC B 12 1.948 8.289 33.527 1.00 1.23 C ATOM 375 O3' DC B 12 3.340 8.322 33.103 1.00 1.21 O ATOM 376 C2' DC B 12 1.178 7.279 32.735 1.00 1.08 C ATOM 377 C1' DC B 12 1.270 6.014 33.551 1.00 1.06 C ATOM 378 N1 DC B 12 0.105 5.138 33.314 1.00 1.01 N ATOM 379 C2 DC B 12 0.377 3.829 32.954 1.00 0.90 C ATOM 380 O2 DC B 12 1.538 3.426 32.910 1.00 0.86 O ATOM 381 N3 DC B 12 -0.664 3.012 32.655 1.00 0.87 N ATOM 382 C4 DC B 12 -1.924 3.455 32.708 1.00 0.95 C ATOM 383 N4 DC B 12 -2.914 2.619 32.411 1.00 0.94 N ATOM 384 C5 DC B 12 -2.216 4.805 33.083 1.00 1.06 C ATOM 385 C6 DC B 12 -1.177 5.609 33.381 1.00 1.08 C ATOM 0 H5' DC B 12 0.849 8.345 36.809 1.00 1.48 H new ATOM 0 H5'' DC B 12 1.099 9.687 35.711 1.00 1.48 H new ATOM 0 H4' DC B 12 2.788 7.899 35.471 1.00 1.32 H new ATOM 0 H3' DC B 12 1.571 9.303 33.398 1.00 1.23 H new ATOM 0 H2' DC B 12 0.142 7.588 32.597 1.00 1.08 H new ATOM 0 H2'' DC B 12 1.605 7.143 31.742 1.00 1.08 H new ATOM 0 HO5' DC B 12 -1.127 9.015 35.782 1.00 1.86 H new ATOM 0 H1' DC B 12 2.135 5.417 33.263 1.00 1.06 H new ATOM 0 H41 DC B 12 -3.881 2.941 32.446 1.00 0.94 H new ATOM 0 H42 DC B 12 -2.706 1.656 32.148 1.00 0.94 H new ATOM 0 H5 DC B 12 -3.233 5.166 33.126 1.00 1.06 H new ATOM 0 H6 DC B 12 -1.358 6.632 33.675 1.00 1.08 H new ATOM 398 P DT B 13 3.722 8.745 31.573 1.00 1.12 P ATOM 399 OP1 DT B 13 5.120 8.688 31.081 1.00 2.02 O ATOM 400 OP2 DT B 13 3.623 9.993 32.382 1.00 1.37 O ATOM 401 O5' DT B 13 3.745 7.157 31.841 1.00 0.98 O ATOM 402 C5' DT B 13 4.998 6.658 32.362 1.00 1.00 C ATOM 403 C4' DT B 13 5.460 5.317 31.783 1.00 0.88 C ATOM 404 O4' DT B 13 4.390 4.353 31.823 1.00 0.77 O ATOM 405 C3' DT B 13 5.946 5.428 30.325 1.00 0.85 C ATOM 406 O3' DT B 13 7.241 4.801 30.162 1.00 0.90 O ATOM 407 C2' DT B 13 4.914 4.698 29.520 1.00 0.72 C ATOM 408 C1' DT B 13 4.166 3.815 30.504 1.00 0.66 C ATOM 409 N1 DT B 13 2.726 3.779 30.193 1.00 0.61 N ATOM 410 C2 DT B 13 2.141 2.537 29.992 1.00 0.52 C ATOM 411 O2 DT B 13 2.783 1.492 30.027 1.00 0.48 O ATOM 412 N3 DT B 13 0.782 2.547 29.733 1.00 0.54 N ATOM 413 C4 DT B 13 -0.025 3.665 29.656 1.00 0.63 C ATOM 414 O4 DT B 13 -1.230 3.552 29.433 1.00 0.68 O ATOM 415 C5 DT B 13 0.674 4.912 29.874 1.00 0.71 C ATOM 416 C7 DT B 13 -0.097 6.228 29.819 1.00 0.85 C ATOM 417 C6 DT B 13 1.995 4.931 30.129 1.00 0.70 C ATOM 0 H5' DT B 13 4.908 6.556 33.444 1.00 1.00 H new ATOM 0 H5'' DT B 13 5.772 7.402 32.175 1.00 1.00 H new ATOM 0 H4' DT B 13 6.297 4.997 32.404 1.00 0.88 H new ATOM 0 H3' DT B 13 6.061 6.467 30.015 1.00 0.85 H new ATOM 0 H2' DT B 13 4.236 5.396 29.029 1.00 0.72 H new ATOM 0 H2'' DT B 13 5.380 4.101 28.736 1.00 0.72 H new ATOM 0 H1' DT B 13 4.529 2.789 30.442 1.00 0.66 H new ATOM 0 H3 DT B 13 0.334 1.643 29.585 1.00 0.54 H new ATOM 0 H71 DT B 13 -0.936 6.130 29.130 1.00 0.85 H new ATOM 0 H72 DT B 13 -0.471 6.472 30.813 1.00 0.85 H new ATOM 0 H73 DT B 13 0.564 7.023 29.475 1.00 0.85 H new ATOM 0 H6 DT B 13 2.488 5.879 30.287 1.00 0.70 H new ATOM 430 P DT B 14 7.868 4.505 28.689 1.00 1.17 P ATOM 431 OP1 DT B 14 9.343 4.547 28.790 1.00 1.73 O ATOM 432 OP2 DT B 14 7.176 5.371 27.702 1.00 2.15 O ATOM 433 O5' DT B 14 7.430 2.975 28.395 1.00 0.88 O ATOM 434 C5' DT B 14 7.986 1.895 29.152 1.00 0.87 C ATOM 435 C4' DT B 14 7.552 0.536 28.600 1.00 0.76 C ATOM 436 O4' DT B 14 6.109 0.428 28.607 1.00 0.65 O ATOM 437 C3' DT B 14 8.032 0.347 27.161 1.00 0.75 C ATOM 438 O3' DT B 14 8.714 -0.919 27.024 1.00 0.85 O ATOM 439 C2' DT B 14 6.776 0.402 26.325 1.00 0.66 C ATOM 440 C1' DT B 14 5.635 0.113 27.281 1.00 0.60 C ATOM 441 N1 DT B 14 4.423 0.893 26.944 1.00 0.53 N ATOM 442 C2 DT B 14 3.246 0.179 26.776 1.00 0.49 C ATOM 443 O2 DT B 14 3.203 -1.044 26.863 1.00 0.50 O ATOM 444 N3 DT B 14 2.117 0.924 26.489 1.00 0.46 N ATOM 445 C4 DT B 14 2.059 2.296 26.357 1.00 0.47 C ATOM 446 O4 DT B 14 0.992 2.851 26.102 1.00 0.47 O ATOM 447 C5 DT B 14 3.329 2.961 26.544 1.00 0.51 C ATOM 448 C7 DT B 14 3.397 4.484 26.412 1.00 0.56 C ATOM 449 C6 DT B 14 4.449 2.260 26.826 1.00 0.55 C ATOM 0 H5' DT B 14 7.674 1.982 30.193 1.00 0.87 H new ATOM 0 H5'' DT B 14 9.074 1.963 29.138 1.00 0.87 H new ATOM 0 H4' DT B 14 7.995 -0.229 29.238 1.00 0.76 H new ATOM 0 H3' DT B 14 8.748 1.108 26.850 1.00 0.75 H new ATOM 0 H2' DT B 14 6.658 1.380 25.859 1.00 0.66 H new ATOM 0 H2'' DT B 14 6.809 -0.333 25.520 1.00 0.66 H new ATOM 0 H1' DT B 14 5.342 -0.935 27.213 1.00 0.60 H new ATOM 0 H3 DT B 14 1.245 0.411 26.363 1.00 0.46 H new ATOM 0 H71 DT B 14 2.640 4.822 25.705 1.00 0.56 H new ATOM 0 H72 DT B 14 3.215 4.942 27.384 1.00 0.56 H new ATOM 0 H73 DT B 14 4.384 4.774 26.053 1.00 0.56 H new ATOM 0 H6 DT B 14 5.383 2.786 26.961 1.00 0.55 H new ATOM 462 P DC B 15 8.925 -1.622 25.583 1.00 0.82 P ATOM 463 OP1 DC B 15 10.037 -2.592 25.697 1.00 1.37 O ATOM 464 OP2 DC B 15 8.975 -0.562 24.547 1.00 1.78 O ATOM 465 O5' DC B 15 7.552 -2.446 25.397 1.00 0.73 O ATOM 466 C5' DC B 15 7.260 -3.583 26.218 1.00 0.69 C ATOM 467 C4' DC B 15 6.155 -4.445 25.611 1.00 0.65 C ATOM 468 O4' DC B 15 4.921 -3.695 25.536 1.00 0.61 O ATOM 469 C3' DC B 15 6.520 -4.893 24.197 1.00 0.70 C ATOM 470 O3' DC B 15 6.313 -6.312 24.051 1.00 0.75 O ATOM 471 C2' DC B 15 5.616 -4.095 23.291 1.00 0.68 C ATOM 472 C1' DC B 15 4.479 -3.600 24.166 1.00 0.61 C ATOM 473 N1 DC B 15 4.092 -2.210 23.832 1.00 0.59 N ATOM 474 C2 DC B 15 2.738 -1.947 23.660 1.00 0.57 C ATOM 475 O2 DC B 15 1.918 -2.860 23.700 1.00 0.57 O ATOM 476 N3 DC B 15 2.355 -0.665 23.426 1.00 0.55 N ATOM 477 C4 DC B 15 3.254 0.321 23.358 1.00 0.58 C ATOM 478 N4 DC B 15 2.835 1.569 23.179 1.00 0.58 N ATOM 479 C5 DC B 15 4.650 0.058 23.522 1.00 0.61 C ATOM 480 C6 DC B 15 5.024 -1.214 23.755 1.00 0.61 C ATOM 0 H5' DC B 15 6.958 -3.248 27.210 1.00 0.69 H new ATOM 0 H5'' DC B 15 8.162 -4.182 26.345 1.00 0.69 H new ATOM 0 H4' DC B 15 6.034 -5.318 26.252 1.00 0.65 H new ATOM 0 H3' DC B 15 7.569 -4.720 23.958 1.00 0.70 H new ATOM 0 H2' DC B 15 6.153 -3.261 22.840 1.00 0.68 H new ATOM 0 H2'' DC B 15 5.240 -4.711 22.474 1.00 0.68 H new ATOM 0 H1' DC B 15 3.591 -4.211 24.001 1.00 0.61 H new ATOM 0 H41 DC B 15 3.511 2.331 23.125 1.00 0.58 H new ATOM 0 H42 DC B 15 1.838 1.765 23.095 1.00 0.58 H new ATOM 0 H5 DC B 15 5.379 0.852 23.461 1.00 0.61 H new ATOM 0 H6 DC B 15 6.070 -1.449 23.882 1.00 0.61 H new ATOM 492 P DT B 16 6.220 -7.014 22.597 1.00 1.03 P ATOM 493 OP1 DT B 16 6.490 -8.462 22.762 1.00 1.32 O ATOM 494 OP2 DT B 16 7.023 -6.218 21.636 1.00 2.23 O ATOM 495 O5' DT B 16 4.666 -6.825 22.220 1.00 0.88 O ATOM 496 C5' DT B 16 3.659 -7.629 22.833 1.00 0.90 C ATOM 497 C4' DT B 16 2.319 -7.478 22.114 1.00 0.82 C ATOM 498 O4' DT B 16 1.868 -6.106 22.166 1.00 0.75 O ATOM 499 C3' DT B 16 2.434 -7.878 20.643 1.00 0.76 C ATOM 500 O3' DT B 16 1.552 -8.969 20.351 1.00 0.79 O ATOM 501 C2' DT B 16 2.074 -6.636 19.864 1.00 0.72 C ATOM 502 C1' DT B 16 1.435 -5.695 20.857 1.00 0.71 C ATOM 503 N1 DT B 16 1.813 -4.298 20.579 1.00 0.67 N ATOM 504 C2 DT B 16 0.779 -3.399 20.398 1.00 0.65 C ATOM 505 O2 DT B 16 -0.396 -3.748 20.384 1.00 0.65 O ATOM 506 N3 DT B 16 1.145 -2.084 20.202 1.00 0.63 N ATOM 507 C4 DT B 16 2.436 -1.598 20.161 1.00 0.63 C ATOM 508 O4 DT B 16 2.645 -0.400 19.980 1.00 0.63 O ATOM 509 C5 DT B 16 3.454 -2.607 20.345 1.00 0.65 C ATOM 510 C7 DT B 16 4.926 -2.197 20.307 1.00 0.66 C ATOM 511 C6 DT B 16 3.124 -3.898 20.544 1.00 0.67 C ATOM 0 H5' DT B 16 3.548 -7.343 23.879 1.00 0.90 H new ATOM 0 H5'' DT B 16 3.966 -8.675 22.819 1.00 0.90 H new ATOM 0 H4' DT B 16 1.609 -8.132 22.620 1.00 0.82 H new ATOM 0 H3' DT B 16 3.434 -8.226 20.382 1.00 0.76 H new ATOM 0 H2' DT B 16 2.959 -6.187 19.414 1.00 0.72 H new ATOM 0 H2'' DT B 16 1.387 -6.871 19.051 1.00 0.72 H new ATOM 0 H1' DT B 16 0.348 -5.738 20.787 1.00 0.71 H new ATOM 0 H3 DT B 16 0.392 -1.408 20.076 1.00 0.63 H new ATOM 0 H71 DT B 16 5.506 -2.862 20.947 1.00 0.66 H new ATOM 0 H72 DT B 16 5.296 -2.264 19.284 1.00 0.66 H new ATOM 0 H73 DT B 16 5.027 -1.172 20.663 1.00 0.66 H new ATOM 0 H6 DT B 16 3.906 -4.631 20.678 1.00 0.67 H new ATOM 524 P DT B 17 1.140 -9.360 18.839 1.00 0.77 P ATOM 525 OP1 DT B 17 0.736 -10.780 18.828 1.00 1.73 O ATOM 526 OP2 DT B 17 2.197 -8.865 17.923 1.00 1.21 O ATOM 527 O5' DT B 17 -0.192 -8.473 18.601 1.00 0.82 O ATOM 528 C5' DT B 17 -1.388 -8.710 19.360 1.00 0.84 C ATOM 529 C4' DT B 17 -2.563 -7.928 18.785 1.00 0.75 C ATOM 530 O4' DT B 17 -2.345 -6.505 18.932 1.00 0.75 O ATOM 531 C3' DT B 17 -2.756 -8.228 17.300 1.00 0.74 C ATOM 532 O3' DT B 17 -4.126 -8.599 17.044 1.00 0.79 O ATOM 533 C2' DT B 17 -2.383 -6.950 16.595 1.00 0.67 C ATOM 534 C1' DT B 17 -2.459 -5.857 17.647 1.00 0.69 C ATOM 535 N1 DT B 17 -1.392 -4.851 17.458 1.00 0.66 N ATOM 536 C2 DT B 17 -1.769 -3.518 17.458 1.00 0.66 C ATOM 537 O2 DT B 17 -2.940 -3.165 17.575 1.00 0.68 O ATOM 538 N3 DT B 17 -0.748 -2.600 17.302 1.00 0.65 N ATOM 539 C4 DT B 17 0.592 -2.892 17.145 1.00 0.66 C ATOM 540 O4 DT B 17 1.422 -1.993 17.035 1.00 0.67 O ATOM 541 C5 DT B 17 0.891 -4.303 17.149 1.00 0.66 C ATOM 542 C7 DT B 17 2.333 -4.763 16.962 1.00 0.68 C ATOM 543 C6 DT B 17 -0.082 -5.222 17.302 1.00 0.65 C ATOM 0 H5' DT B 17 -1.227 -8.421 20.399 1.00 0.84 H new ATOM 0 H5'' DT B 17 -1.619 -9.775 19.358 1.00 0.84 H new ATOM 0 H4' DT B 17 -3.452 -8.234 19.337 1.00 0.75 H new ATOM 0 H3' DT B 17 -2.146 -9.062 16.954 1.00 0.74 H new ATOM 0 H2' DT B 17 -1.381 -7.016 16.172 1.00 0.67 H new ATOM 0 H2'' DT B 17 -3.065 -6.746 15.770 1.00 0.67 H new ATOM 0 H1' DT B 17 -3.402 -5.316 17.570 1.00 0.69 H new ATOM 0 H3 DT B 17 -1.009 -1.614 17.303 1.00 0.65 H new ATOM 0 H71 DT B 17 2.868 -4.041 16.345 1.00 0.68 H new ATOM 0 H72 DT B 17 2.819 -4.840 17.934 1.00 0.68 H new ATOM 0 H73 DT B 17 2.344 -5.737 16.473 1.00 0.68 H new ATOM 0 H6 DT B 17 0.175 -6.271 17.302 1.00 0.65 H new ATOM 556 P DG B 18 -4.721 -8.632 15.545 1.00 0.91 P ATOM 557 OP1 DG B 18 -6.013 -9.352 15.575 1.00 1.66 O ATOM 558 OP2 DG B 18 -3.647 -9.080 14.624 1.00 1.68 O ATOM 559 O5' DG B 18 -5.004 -7.073 15.254 1.00 0.89 O ATOM 560 C5' DG B 18 -6.035 -6.361 15.948 1.00 0.77 C ATOM 561 C4' DG B 18 -6.418 -5.085 15.200 1.00 0.70 C ATOM 562 O4' DG B 18 -5.327 -4.134 15.229 1.00 0.69 O ATOM 563 C3' DG B 18 -6.740 -5.382 13.734 1.00 0.70 C ATOM 564 O3' DG B 18 -8.002 -4.787 13.374 1.00 0.78 O ATOM 565 C2' DG B 18 -5.581 -4.798 12.959 1.00 0.62 C ATOM 566 C1' DG B 18 -4.937 -3.788 13.884 1.00 0.61 C ATOM 567 N9 DG B 18 -3.472 -3.790 13.745 1.00 0.58 N ATOM 568 C8 DG B 18 -2.611 -4.832 13.653 1.00 0.60 C ATOM 569 N7 DG B 18 -1.352 -4.560 13.572 1.00 0.63 N ATOM 570 C5 DG B 18 -1.360 -3.163 13.614 1.00 0.61 C ATOM 571 C6 DG B 18 -0.281 -2.246 13.560 1.00 0.64 C ATOM 572 O6 DG B 18 0.921 -2.485 13.484 1.00 0.70 O ATOM 573 N1 DG B 18 -0.724 -0.932 13.625 1.00 0.64 N ATOM 574 C2 DG B 18 -2.044 -0.541 13.723 1.00 0.63 C ATOM 575 N2 DG B 18 -2.270 0.772 13.759 1.00 0.67 N ATOM 576 N3 DG B 18 -3.066 -1.398 13.777 1.00 0.60 N ATOM 577 C4 DG B 18 -2.657 -2.685 13.711 1.00 0.59 C ATOM 0 H5' DG B 18 -5.695 -6.110 16.953 1.00 0.77 H new ATOM 0 H5'' DG B 18 -6.912 -6.999 16.058 1.00 0.77 H new ATOM 0 H4' DG B 18 -7.297 -4.673 15.696 1.00 0.70 H new ATOM 0 H3' DG B 18 -6.849 -6.446 13.524 1.00 0.70 H new ATOM 0 H2' DG B 18 -4.871 -5.574 12.672 1.00 0.62 H new ATOM 0 H2'' DG B 18 -5.924 -4.324 12.040 1.00 0.62 H new ATOM 0 H1' DG B 18 -5.269 -2.781 13.633 1.00 0.61 H new ATOM 0 H8 DG B 18 -2.965 -5.852 13.648 1.00 0.60 H new ATOM 0 H1 DG B 18 -0.018 -0.197 13.598 1.00 0.64 H new ATOM 0 H21 DG B 18 -3.225 1.123 13.831 1.00 0.67 H new ATOM 0 H22 DG B 18 -1.488 1.425 13.715 1.00 0.67 H new ATOM 589 P DT B 19 -8.356 -4.356 11.856 1.00 0.82 P ATOM 590 OP1 DT B 19 -9.835 -4.177 11.765 1.00 1.55 O ATOM 591 OP2 DT B 19 -7.650 -5.294 10.931 1.00 1.55 O ATOM 592 O5' DT B 19 -7.659 -2.896 11.723 1.00 0.76 O ATOM 593 C5' DT B 19 -8.099 -1.786 12.530 1.00 0.83 C ATOM 594 C4' DT B 19 -7.568 -0.449 12.010 1.00 0.80 C ATOM 595 O4' DT B 19 -6.133 -0.358 12.171 1.00 0.71 O ATOM 596 C3' DT B 19 -7.888 -0.273 10.536 1.00 0.78 C ATOM 597 O3' DT B 19 -8.520 0.994 10.323 1.00 0.86 O ATOM 598 C2' DT B 19 -6.557 -0.354 9.832 1.00 0.66 C ATOM 599 C1' DT B 19 -5.510 -0.082 10.900 1.00 0.63 C ATOM 600 N1 DT B 19 -4.294 -0.910 10.714 1.00 0.54 N ATOM 601 C2 DT B 19 -3.067 -0.258 10.718 1.00 0.52 C ATOM 602 O2 DT B 19 -2.969 0.959 10.842 1.00 0.55 O ATOM 603 N3 DT B 19 -1.949 -1.063 10.565 1.00 0.49 N ATOM 604 C4 DT B 19 -1.950 -2.435 10.412 1.00 0.49 C ATOM 605 O4 DT B 19 -0.891 -3.051 10.298 1.00 0.52 O ATOM 606 C5 DT B 19 -3.269 -3.027 10.415 1.00 0.51 C ATOM 607 C7 DT B 19 -3.414 -4.537 10.240 1.00 0.54 C ATOM 608 C6 DT B 19 -4.374 -2.269 10.566 1.00 0.54 C ATOM 0 H5' DT B 19 -7.767 -1.932 13.558 1.00 0.83 H new ATOM 0 H5'' DT B 19 -9.189 -1.761 12.547 1.00 0.83 H new ATOM 0 H4' DT B 19 -8.055 0.332 12.594 1.00 0.80 H new ATOM 0 H3' DT B 19 -8.577 -1.029 10.161 1.00 0.78 H new ATOM 0 H2' DT B 19 -6.411 -1.336 9.382 1.00 0.66 H new ATOM 0 H2'' DT B 19 -6.495 0.378 9.027 1.00 0.66 H new ATOM 0 H1' DT B 19 -5.175 0.953 10.841 1.00 0.63 H new ATOM 0 H3 DT B 19 -1.041 -0.598 10.566 1.00 0.49 H new ATOM 0 H71 DT B 19 -4.304 -4.881 10.767 1.00 0.54 H new ATOM 0 H72 DT B 19 -3.506 -4.773 9.180 1.00 0.54 H new ATOM 0 H73 DT B 19 -2.535 -5.037 10.648 1.00 0.54 H new ATOM 0 H6 DT B 19 -5.344 -2.744 10.570 1.00 0.54 H new ATOM 621 P DC B 20 -8.650 1.633 8.851 1.00 0.84 P ATOM 622 OP1 DC B 20 -9.706 2.679 8.899 1.00 1.46 O ATOM 623 OP2 DC B 20 -8.729 0.518 7.864 1.00 1.64 O ATOM 624 O5' DC B 20 -7.237 2.380 8.670 1.00 0.76 O ATOM 625 C5' DC B 20 -6.962 3.551 9.433 1.00 0.84 C ATOM 626 C4' DC B 20 -5.800 4.350 8.846 1.00 0.80 C ATOM 627 O4' DC B 20 -4.586 3.566 8.871 1.00 0.73 O ATOM 628 C3' DC B 20 -6.083 4.737 7.393 1.00 0.77 C ATOM 629 O3' DC B 20 -5.844 6.152 7.201 1.00 0.85 O ATOM 630 C2' DC B 20 -5.150 3.869 6.574 1.00 0.66 C ATOM 631 C1' DC B 20 -4.067 3.404 7.533 1.00 0.64 C ATOM 632 N1 DC B 20 -3.652 1.993 7.303 1.00 0.54 N ATOM 633 C2 DC B 20 -2.286 1.736 7.266 1.00 0.53 C ATOM 634 O2 DC B 20 -1.479 2.661 7.310 1.00 0.62 O ATOM 635 N3 DC B 20 -1.871 0.444 7.162 1.00 0.48 N ATOM 636 C4 DC B 20 -2.750 -0.561 7.092 1.00 0.44 C ATOM 637 N4 DC B 20 -2.302 -1.817 7.031 1.00 0.45 N ATOM 638 C5 DC B 20 -4.158 -0.307 7.113 1.00 0.47 C ATOM 639 C6 DC B 20 -4.565 0.977 7.221 1.00 0.52 C ATOM 0 H5' DC B 20 -6.728 3.269 10.460 1.00 0.84 H new ATOM 0 H5'' DC B 20 -7.853 4.178 9.470 1.00 0.84 H new ATOM 0 H4' DC B 20 -5.683 5.248 9.452 1.00 0.80 H new ATOM 0 H3' DC B 20 -7.119 4.575 7.097 1.00 0.77 H new ATOM 0 H2' DC B 20 -5.682 3.020 6.144 1.00 0.66 H new ATOM 0 H2'' DC B 20 -4.722 4.431 5.744 1.00 0.66 H new ATOM 0 H1' DC B 20 -3.170 4.003 7.374 1.00 0.64 H new ATOM 0 H41 DC B 20 -2.963 -2.592 6.977 1.00 0.45 H new ATOM 0 H42 DC B 20 -1.299 -2.002 7.038 1.00 0.45 H new ATOM 0 H5 DC B 20 -4.872 -1.115 7.045 1.00 0.47 H new ATOM 0 H6 DC B 20 -5.621 1.203 7.243 1.00 0.52 H new ATOM 651 P DC B 21 -5.505 6.780 5.750 1.00 1.44 P ATOM 652 OP1 DC B 21 -5.684 8.250 5.820 1.00 2.29 O ATOM 653 OP2 DC B 21 -6.223 5.999 4.712 1.00 2.23 O ATOM 654 O5' DC B 21 -3.933 6.476 5.610 1.00 1.29 O ATOM 655 C5' DC B 21 -2.964 7.273 6.293 1.00 1.39 C ATOM 656 C4' DC B 21 -1.629 7.230 5.565 1.00 1.24 C ATOM 657 O4' DC B 21 -1.090 5.889 5.585 1.00 1.01 O ATOM 658 C3' DC B 21 -1.802 7.651 4.111 1.00 1.27 C ATOM 659 O3' DC B 21 -0.936 8.755 3.797 1.00 1.44 O ATOM 660 C2' DC B 21 -1.467 6.427 3.290 1.00 1.06 C ATOM 661 C1' DC B 21 -0.828 5.433 4.241 1.00 0.88 C ATOM 662 N1 DC B 21 -1.358 4.065 4.031 1.00 0.70 N ATOM 663 C2 DC B 21 -0.438 3.032 3.947 1.00 0.59 C ATOM 664 O2 DC B 21 0.766 3.269 4.004 1.00 0.61 O ATOM 665 N3 DC B 21 -0.901 1.766 3.779 1.00 0.55 N ATOM 666 C4 DC B 21 -2.212 1.515 3.693 1.00 0.58 C ATOM 667 N4 DC B 21 -2.626 0.258 3.535 1.00 0.65 N ATOM 668 C5 DC B 21 -3.168 2.575 3.772 1.00 0.64 C ATOM 669 C6 DC B 21 -2.702 3.828 3.942 1.00 0.72 C ATOM 0 H5' DC B 21 -2.840 6.910 7.313 1.00 1.39 H new ATOM 0 H5'' DC B 21 -3.315 8.303 6.361 1.00 1.39 H new ATOM 0 H4' DC B 21 -0.950 7.915 6.073 1.00 1.24 H new ATOM 0 H3' DC B 21 -2.815 7.995 3.903 1.00 1.27 H new ATOM 0 H2' DC B 21 -2.364 6.007 2.835 1.00 1.06 H new ATOM 0 H2'' DC B 21 -0.786 6.679 2.477 1.00 1.06 H new ATOM 0 H1' DC B 21 0.245 5.379 4.059 1.00 0.88 H new ATOM 0 H41 DC B 21 -3.623 0.054 3.468 1.00 0.65 H new ATOM 0 H42 DC B 21 -1.946 -0.500 3.481 1.00 0.65 H new ATOM 0 H5 DC B 21 -4.227 2.378 3.698 1.00 0.64 H new ATOM 0 H6 DC B 21 -3.396 4.653 4.009 1.00 0.72 H new ATOM 681 P DG B 22 -0.717 9.232 2.272 1.00 1.59 P ATOM 682 OP1 DG B 22 -0.262 10.644 2.290 1.00 2.21 O ATOM 683 OP2 DG B 22 -1.920 8.850 1.489 1.00 2.02 O ATOM 684 O5' DG B 22 0.512 8.299 1.790 1.00 1.53 O ATOM 685 C5' DG B 22 1.835 8.486 2.314 1.00 1.53 C ATOM 686 C4' DG B 22 2.889 7.825 1.429 1.00 1.48 C ATOM 687 O4' DG B 22 2.794 6.389 1.523 1.00 1.24 O ATOM 688 C3' DG B 22 2.712 8.219 -0.031 1.00 1.65 C ATOM 689 O3' DG B 22 3.945 8.693 -0.576 1.00 1.81 O ATOM 690 C2' DG B 22 2.266 6.967 -0.740 1.00 1.51 C ATOM 691 C1' DG B 22 2.472 5.821 0.238 1.00 1.25 C ATOM 692 N9 DG B 22 1.271 4.968 0.337 1.00 1.10 N ATOM 693 C8 DG B 22 -0.043 5.306 0.379 1.00 1.14 C ATOM 694 N7 DG B 22 -0.902 4.350 0.488 1.00 1.05 N ATOM 695 C5 DG B 22 -0.073 3.226 0.520 1.00 0.92 C ATOM 696 C6 DG B 22 -0.408 1.853 0.631 1.00 0.86 C ATOM 697 O6 DG B 22 -1.521 1.344 0.723 1.00 0.91 O ATOM 698 N1 DG B 22 0.726 1.052 0.626 1.00 0.79 N ATOM 699 C2 DG B 22 2.026 1.509 0.532 1.00 0.77 C ATOM 700 N2 DG B 22 2.984 0.585 0.556 1.00 0.74 N ATOM 701 N3 DG B 22 2.348 2.799 0.428 1.00 0.86 N ATOM 702 C4 DG B 22 1.258 3.599 0.429 1.00 0.94 C ATOM 0 H5' DG B 22 1.891 8.070 3.320 1.00 1.53 H new ATOM 0 H5'' DG B 22 2.046 9.552 2.398 1.00 1.53 H new ATOM 0 H4' DG B 22 3.864 8.165 1.780 1.00 1.48 H new ATOM 0 H3' DG B 22 1.986 9.024 -0.145 1.00 1.65 H new ATOM 0 H2' DG B 22 1.220 7.041 -1.036 1.00 1.51 H new ATOM 0 H2'' DG B 22 2.845 6.809 -1.650 1.00 1.51 H new ATOM 0 HO3' DG B 22 3.814 8.940 -1.515 1.00 1.81 H new ATOM 0 H1' DG B 22 3.283 5.184 -0.115 1.00 1.25 H new ATOM 0 H8 DG B 22 -0.358 6.338 0.323 1.00 1.14 H new ATOM 0 H1 DG B 22 0.588 0.044 0.698 1.00 0.79 H new ATOM 0 H21 DG B 22 3.963 0.864 0.490 1.00 0.74 H new ATOM 0 H22 DG B 22 2.739 -0.402 0.640 1.00 0.74 H new TER 715 DG B 22 CONECT 165 189 CONECT 189 165 190 191 192 CONECT 190 189 CONECT 191 189 CONECT 192 189 193 CONECT 193 192 194 219 220 CONECT 194 193 195 196 221 CONECT 195 194 199 CONECT 196 194 197 198 222 CONECT 197 196 238 CONECT 198 196 199 223 224 CONECT 199 195 198 200 225 CONECT 200 199 201 209 CONECT 201 200 202 226 CONECT 202 201 203 CONECT 203 202 204 209 CONECT 204 203 205 206 CONECT 205 204 210 227 CONECT 206 204 207 CONECT 207 206 208 228 CONECT 208 207 209 CONECT 209 200 203 208 CONECT 210 205 211 213 229 CONECT 211 210 212 230 231 CONECT 212 211 232 CONECT 213 210 214 215 CONECT 214 213 216 233 CONECT 215 213 217 234 CONECT 216 214 218 235 CONECT 217 215 218 236 CONECT 218 216 217 237 CONECT 219 193 CONECT 220 193 CONECT 221 194 CONECT 222 196 CONECT 223 198 CONECT 224 198 CONECT 225 199 CONECT 226 201 CONECT 227 205 CONECT 228 207 CONECT 229 210 CONECT 230 211 CONECT 231 211 CONECT 232 212 CONECT 233 214 CONECT 234 215 CONECT 235 216 CONECT 236 217 CONECT 237 218 CONECT 238 197 END