USER MOD reduce.3.24.130724 H: found=0, std=0, add=244, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 245 hydrogens (25 hets) HEADER DNA 11-MAY-98 1HM1 TITLE THE SOLUTION NMR STRUCTURE OF A THERMALLY STABLE FAPY TITLE 2 ADDUCT OF AFLATOXIN B1 IN AN OLIGODEOXYNUCLEOTIDE DUPLEX TITLE 3 REFINED FROM DISTANCE RESTRAINED MOLECULAR DYNAMICS TITLE 4 SIMULATED ANNEALING, MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA (5'-D(*CP*TP*AP*TP*(FAG)P*AP*TP*TP*CP*A)-3'); COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 OTHER_DETAILS: CHAIN A, GUA 5 -> FAG, FAPY ADDUCT OF; COMPND 6 MOL_ID: 2; COMPND 7 MOLECULE: DNA (5'-D(TP*GP*AP*AP*TP*CP*AP*TP*AP*G)-3'); COMPND 8 CHAIN: B; COMPND 9 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 MOL_ID: 2; SOURCE 4 SYNTHETIC: YES KEYWDS AFLATOXIN B1, FAPY, FORMAMIDOPYRIMIDINE, INTERCALATION, DNA KEYWDS 2 DUPLEX, NMR, SOLUTION STRUCTURE, DNA ADDUCT, KEYWDS 3 DEOXYRIBONUCLEIC ACID EXPDTA SOLUTION NMR AUTHOR H.MAO,Z.DENG,F.WANG,T.M.HARRIS,M.P.STONE REVDAT 2 24-FEB-09 1HM1 1 VERSN REVDAT 1 14-OCT-98 1HM1 0 JRNL AUTH H.MAO,Z.DENG,F.WANG,T.M.HARRIS,M.P.STONE JRNL TITL AN INTERCALATED AND THERMALLY STABLE FAPY ADDUCT JRNL TITL 2 OF AFLATOXIN B1 IN A DNA DUPLEX: STRUCTURAL JRNL TITL 3 REFINEMENT FROM 1H NMR. JRNL REF BIOCHEMISTRY V. 37 4374 1998 JRNL REFN ISSN 0006-2960 JRNL PMID 9521757 JRNL DOI 10.1021/BI9718292 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 2.4 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 1HM1 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) : 298.00 REMARK 210 PH : 6.80 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 0.1 M NACL,10 MM NAH2PO4, REMARK 210 0.05 MM NA2(EDTA) REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY, TOCSY, DQF-COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 750 MHZ REMARK 210 SPECTROMETER MODEL : DMX750 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : FELIX, INSIGHTII, X-PLOR REMARK 210 METHOD USED : DISTANCE 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 : MINIMIZED AVERAGE 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. = 4.1 DEGREES REMARK 500 DT A 2 O4' - C1' - N1 ANGL. DEV. = 3.3 DEGREES REMARK 500 DT A 2 C6 - C5 - C7 ANGL. DEV. = -5.0 DEGREES REMARK 500 DA A 3 O4' - C1' - N9 ANGL. DEV. = 3.5 DEGREES REMARK 500 DA A 3 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES REMARK 500 DA A 3 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES REMARK 500 DT A 4 C6 - C5 - C7 ANGL. DEV. = -4.3 DEGREES REMARK 500 DA A 6 O4' - C1' - N9 ANGL. DEV. = 3.4 DEGREES REMARK 500 DA A 6 N7 - C8 - N9 ANGL. DEV. = 3.6 DEGREES REMARK 500 DA A 6 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES REMARK 500 DT A 7 O4' - C1' - N1 ANGL. DEV. = 6.0 DEGREES REMARK 500 DT A 8 O4' - C1' - N1 ANGL. DEV. = 3.7 DEGREES REMARK 500 DT A 8 C6 - C5 - C7 ANGL. DEV. = -3.7 DEGREES REMARK 500 DC A 9 O4' - C1' - N1 ANGL. DEV. = 3.5 DEGREES REMARK 500 DA A 10 O4' - C1' - N9 ANGL. DEV. = 2.9 DEGREES REMARK 500 DA A 10 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 DA A 10 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 DT B 11 O4' - C1' - N1 ANGL. DEV. = 3.7 DEGREES REMARK 500 DG B 12 O4' - C1' - N9 ANGL. DEV. = 4.0 DEGREES REMARK 500 DG B 12 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 DG B 12 C8 - N9 - C4 ANGL. DEV. = -3.3 DEGREES REMARK 500 DA B 13 O4' - C1' - N9 ANGL. DEV. = 3.8 DEGREES REMARK 500 DA B 13 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 DA B 13 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 DA B 14 O4' - C1' - N9 ANGL. DEV. = 6.7 DEGREES REMARK 500 DA B 14 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 DT B 15 O4' - C1' - N1 ANGL. DEV. = 3.0 DEGREES REMARK 500 DT B 15 C6 - C5 - C7 ANGL. DEV. = -4.6 DEGREES REMARK 500 DC B 16 O4' - C1' - N1 ANGL. DEV. = 4.7 DEGREES REMARK 500 DA B 17 O4' - C1' - N9 ANGL. DEV. = 3.9 DEGREES REMARK 500 DA B 17 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES REMARK 500 DA B 17 C8 - N9 - C4 ANGL. DEV. = -2.4 DEGREES REMARK 500 DT B 18 O4' - C1' - N1 ANGL. DEV. = 3.4 DEGREES REMARK 500 DA B 19 O4' - C1' - N9 ANGL. DEV. = 4.2 DEGREES REMARK 500 DA B 19 N7 - C8 - N9 ANGL. DEV. = 4.0 DEGREES REMARK 500 DA B 19 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 DG B 20 O4' - C1' - N9 ANGL. DEV. = 3.0 DEGREES REMARK 500 DG B 20 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 DG B 20 C8 - N9 - C4 ANGL. DEV. = -2.9 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 DT A 4 0.08 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 1HM1 A 1 10 PDB 1HM1 1HM1 1 10 DBREF 1HM1 B 11 20 PDB 1HM1 1HM1 11 20 SEQRES 1 A 10 DC DT DA DT FAG DA DT DT DC DA SEQRES 1 B 10 DT DG DA DA DT DC DA DT DA DG HET FAG A 5 72 HETNAM FAG [1',2'-DIDEOXY[2-AMINO-5-([9-HYDROXY-AFLATOXINB2-8- HETNAM 2 FAG YL]-FORMYL-AMINO)-6-OXO-1,6-IHYDRO-PYRIMIDIN-4- HETNAM 3 FAG YLAMINO]-RIBOFURANOSE]-5-MONOPHOSPHATE GROUP FORMUL 1 FAG C27 H28 N5 O15 P LINK P FAG A 5 O3' DT A 4 1555 1555 1.61 LINK O3' FAG A 5 P DA A 6 1555 1555 1.62 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 5 FAG H8A : A 5 FAG C8A : A 5 FAG N7 :(H bumps) USER MOD Single : A 1 DC O5' : rot 42:sc= 0.18 USER MOD Single : A 2 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 5 FAG O9 : rot -35:sc= 0.286 USER MOD Single : A 7 DT C7 :methyl -30:sc= 0 (180deg=-0.0188) USER MOD Single : A 8 DT C7 :methyl 150:sc= -0.526 (180deg=-0.526) USER MOD Single : A 10 DA O3' : rot 180:sc= 0 USER MOD Single : B 11 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 11 DT O5' : rot 180:sc= -1.39 USER MOD Single : B 15 DT C7 :methyl -30:sc= -0.105 (180deg=-2.73!) USER MOD Single : B 18 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 20 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 6.622 19.009 4.158 1.00 1.33 O ATOM 2 C5' DC A 1 6.245 19.711 5.346 1.00 1.38 C ATOM 3 C4' DC A 1 4.807 19.386 5.755 1.00 1.20 C ATOM 4 O4' DC A 1 3.964 19.533 4.598 1.00 1.10 O ATOM 5 C3' DC A 1 4.718 17.946 6.193 1.00 1.09 C ATOM 6 O3' DC A 1 3.696 17.752 7.182 1.00 1.00 O ATOM 7 C2' DC A 1 4.405 17.240 4.920 1.00 0.95 C ATOM 8 C1' DC A 1 3.550 18.234 4.170 1.00 0.92 C ATOM 9 N1 DC A 1 3.639 18.068 2.699 1.00 0.91 N ATOM 10 C2 DC A 1 2.477 18.250 1.960 1.00 0.87 C ATOM 11 O2 DC A 1 1.417 18.508 2.525 1.00 0.83 O ATOM 12 N3 DC A 1 2.548 18.127 0.607 1.00 0.89 N ATOM 13 C4 DC A 1 3.705 17.841 -0.002 1.00 0.93 C ATOM 14 N4 DC A 1 3.736 17.728 -1.330 1.00 0.96 N ATOM 15 C5 DC A 1 4.904 17.651 0.751 1.00 0.96 C ATOM 16 C6 DC A 1 4.826 17.769 2.091 1.00 0.96 C ATOM 0 H5' DC A 1 6.345 20.784 5.183 1.00 1.38 H new ATOM 0 H5'' DC A 1 6.924 19.447 6.157 1.00 1.38 H new ATOM 0 H4' DC A 1 4.501 20.050 6.564 1.00 1.20 H new ATOM 0 H3' DC A 1 5.626 17.582 6.673 1.00 1.09 H new ATOM 0 H2' DC A 1 5.310 16.990 4.366 1.00 0.95 H new ATOM 0 H2'' DC A 1 3.872 16.306 5.099 1.00 0.95 H new ATOM 0 HO5' DC A 1 5.879 19.025 3.519 1.00 1.33 H new ATOM 0 H1' DC A 1 2.496 18.074 4.395 1.00 0.92 H new ATOM 0 H41 DC A 1 4.613 17.510 -1.803 1.00 0.96 H new ATOM 0 H42 DC A 1 2.883 17.859 -1.873 1.00 0.96 H new ATOM 0 H5 DC A 1 5.840 17.421 0.264 1.00 0.96 H new ATOM 0 H6 DC A 1 5.712 17.626 2.692 1.00 0.96 H new ATOM 29 P DT A 2 3.294 16.272 7.681 1.00 0.89 P ATOM 30 OP1 DT A 2 2.921 16.351 9.110 1.00 0.98 O ATOM 31 OP2 DT A 2 4.346 15.326 7.244 1.00 0.98 O ATOM 32 O5' DT A 2 1.962 15.971 6.828 1.00 0.61 O ATOM 33 C5' DT A 2 0.795 16.776 7.015 1.00 0.55 C ATOM 34 C4' DT A 2 -0.463 16.110 6.478 1.00 0.47 C ATOM 35 O4' DT A 2 -0.419 16.055 5.031 1.00 0.43 O ATOM 36 C3' DT A 2 -0.518 14.680 6.956 1.00 0.50 C ATOM 37 O3' DT A 2 -1.877 14.237 7.092 1.00 0.48 O ATOM 38 C2' DT A 2 0.205 13.944 5.887 1.00 0.50 C ATOM 39 C1' DT A 2 -0.169 14.690 4.627 1.00 0.43 C ATOM 40 N1 DT A 2 0.832 14.618 3.522 1.00 0.45 N ATOM 41 C2 DT A 2 0.350 14.917 2.258 1.00 0.44 C ATOM 42 O2 DT A 2 -0.822 15.237 2.063 1.00 0.44 O ATOM 43 N3 DT A 2 1.257 14.837 1.223 1.00 0.47 N ATOM 44 C4 DT A 2 2.587 14.486 1.329 1.00 0.51 C ATOM 45 O4 DT A 2 3.306 14.456 0.332 1.00 0.54 O ATOM 46 C5 DT A 2 3.003 14.183 2.681 1.00 0.53 C ATOM 47 C7 DT A 2 4.417 13.712 2.965 1.00 0.62 C ATOM 48 C6 DT A 2 2.151 14.260 3.708 1.00 0.50 C ATOM 0 H5' DT A 2 0.935 17.735 6.517 1.00 0.55 H new ATOM 0 H5'' DT A 2 0.667 16.984 8.077 1.00 0.55 H new ATOM 0 H4' DT A 2 -1.323 16.684 6.823 1.00 0.47 H new ATOM 0 H3' DT A 2 -0.075 14.530 7.941 1.00 0.50 H new ATOM 0 H2' DT A 2 1.282 13.952 6.053 1.00 0.50 H new ATOM 0 H2'' DT A 2 -0.103 12.899 5.841 1.00 0.50 H new ATOM 0 H1' DT A 2 -1.047 14.216 4.188 1.00 0.43 H new ATOM 0 H3 DT A 2 0.912 15.059 0.289 1.00 0.47 H new ATOM 0 H71 DT A 2 4.714 14.033 3.964 1.00 0.62 H new ATOM 0 H72 DT A 2 4.457 12.624 2.907 1.00 0.62 H new ATOM 0 H73 DT A 2 5.098 14.140 2.229 1.00 0.62 H new ATOM 0 H6 DT A 2 2.503 14.037 4.705 1.00 0.50 H new ATOM 61 P DA A 3 -2.241 12.739 7.571 1.00 0.57 P ATOM 62 OP1 DA A 3 -2.939 12.827 8.873 1.00 0.80 O ATOM 63 OP2 DA A 3 -1.033 11.894 7.438 1.00 0.57 O ATOM 64 O5' DA A 3 -3.308 12.268 6.458 1.00 0.49 O ATOM 65 C5' DA A 3 -4.402 13.117 6.089 1.00 0.49 C ATOM 66 C4' DA A 3 -5.174 12.568 4.903 1.00 0.47 C ATOM 67 O4' DA A 3 -4.331 12.639 3.734 1.00 0.47 O ATOM 68 C3' DA A 3 -5.500 11.124 5.142 1.00 0.49 C ATOM 69 O3' DA A 3 -6.690 10.704 4.468 1.00 0.54 O ATOM 70 C2' DA A 3 -4.307 10.457 4.602 1.00 0.47 C ATOM 71 C1' DA A 3 -3.880 11.313 3.431 1.00 0.48 C ATOM 72 N9 DA A 3 -2.418 11.268 3.206 1.00 0.50 N ATOM 73 C8 DA A 3 -1.405 10.940 4.054 1.00 0.50 C ATOM 74 N7 DA A 3 -0.202 10.988 3.593 1.00 0.55 N ATOM 75 C5 DA A 3 -0.421 11.395 2.276 1.00 0.58 C ATOM 76 C6 DA A 3 0.444 11.644 1.210 1.00 0.66 C ATOM 77 N6 DA A 3 1.767 11.517 1.304 1.00 0.70 N ATOM 78 N1 DA A 3 -0.107 12.027 0.046 1.00 0.70 N ATOM 79 C2 DA A 3 -1.430 12.159 -0.067 1.00 0.67 C ATOM 80 N3 DA A 3 -2.340 11.949 0.877 1.00 0.60 N ATOM 81 C4 DA A 3 -1.765 11.566 2.032 1.00 0.56 C ATOM 0 H5' DA A 3 -4.024 14.110 5.847 1.00 0.49 H new ATOM 0 H5'' DA A 3 -5.075 13.230 6.939 1.00 0.49 H new ATOM 0 H4' DA A 3 -6.089 13.145 4.767 1.00 0.47 H new ATOM 0 H3' DA A 3 -5.707 10.898 6.188 1.00 0.49 H new ATOM 0 H2' DA A 3 -3.518 10.391 5.351 1.00 0.47 H new ATOM 0 H2'' DA A 3 -4.533 9.439 4.286 1.00 0.47 H new ATOM 0 H1' DA A 3 -4.316 10.946 2.501 1.00 0.48 H new ATOM 0 H8 DA A 3 -1.602 10.650 5.076 1.00 0.50 H new ATOM 0 H61 DA A 3 2.357 11.711 0.495 1.00 0.70 H new ATOM 0 H62 DA A 3 2.190 11.226 2.185 1.00 0.70 H new ATOM 0 H2 DA A 3 -1.801 12.471 -1.032 1.00 0.67 H new ATOM 93 P DT A 4 -7.033 9.132 4.343 1.00 0.58 P ATOM 94 OP1 DT A 4 -8.501 8.987 4.220 1.00 0.72 O ATOM 95 OP2 DT A 4 -6.306 8.406 5.410 1.00 0.54 O ATOM 96 O5' DT A 4 -6.364 8.752 2.929 1.00 0.56 O ATOM 97 C5' DT A 4 -7.039 9.114 1.728 1.00 0.65 C ATOM 98 C4' DT A 4 -6.948 8.059 0.646 1.00 0.70 C ATOM 99 O4' DT A 4 -5.596 7.997 0.099 1.00 0.67 O ATOM 100 C3' DT A 4 -7.237 6.664 1.167 1.00 0.67 C ATOM 101 O3' DT A 4 -7.976 5.876 0.242 1.00 0.81 O ATOM 102 C2' DT A 4 -5.882 6.066 1.488 1.00 0.56 C ATOM 103 C1' DT A 4 -4.896 6.818 0.604 1.00 0.60 C ATOM 104 N1 DT A 4 -3.667 7.263 1.333 1.00 0.52 N ATOM 105 C2 DT A 4 -2.551 7.500 0.541 1.00 0.62 C ATOM 106 O2 DT A 4 -2.622 7.556 -0.686 1.00 0.74 O ATOM 107 N3 DT A 4 -1.351 7.675 1.200 1.00 0.63 N ATOM 108 C4 DT A 4 -1.159 7.618 2.564 1.00 0.57 C ATOM 109 O4 DT A 4 -0.026 7.740 3.030 1.00 0.65 O ATOM 110 C5 DT A 4 -2.374 7.388 3.324 1.00 0.47 C ATOM 111 C7 DT A 4 -2.296 7.165 4.834 1.00 0.49 C ATOM 112 C6 DT A 4 -3.570 7.251 2.711 1.00 0.43 C ATOM 0 H5' DT A 4 -6.620 10.047 1.352 1.00 0.65 H new ATOM 0 H5'' DT A 4 -8.089 9.304 1.953 1.00 0.65 H new ATOM 0 H4' DT A 4 -7.687 8.349 -0.101 1.00 0.70 H new ATOM 0 H3' DT A 4 -7.875 6.697 2.050 1.00 0.67 H new ATOM 0 H2' DT A 4 -5.637 6.188 2.543 1.00 0.56 H new ATOM 0 H2'' DT A 4 -5.863 4.997 1.278 1.00 0.56 H new ATOM 0 H1' DT A 4 -4.561 6.148 -0.188 1.00 0.60 H new ATOM 0 H3 DT A 4 -0.530 7.864 0.625 1.00 0.63 H new ATOM 0 H71 DT A 4 -3.210 7.530 5.303 1.00 0.49 H new ATOM 0 H72 DT A 4 -2.182 6.101 5.039 1.00 0.49 H new ATOM 0 H73 DT A 4 -1.440 7.706 5.238 1.00 0.49 H new ATOM 0 H6 DT A 4 -4.463 7.130 3.307 1.00 0.43 H new HETATM 125 C3A FAG A 5 1.990 3.386 0.495 1.00 1.81 C HETATM 126 C3 FAG A 5 2.858 3.456 -0.705 1.00 2.13 C HETATM 127 C2A FAG A 5 4.284 3.252 -0.119 1.00 2.45 C HETATM 128 C1 FAG A 5 4.081 3.069 1.411 1.00 2.32 C HETATM 129 O1 FAG A 5 4.959 2.882 2.207 1.00 2.54 O HETATM 130 P FAG A 5 -8.665 4.503 0.733 1.00 0.89 P HETATM 131 O1P FAG A 5 -10.070 4.493 0.268 1.00 1.05 O HETATM 132 O2P FAG A 5 -8.355 4.300 2.167 1.00 0.80 O HETATM 133 O5' FAG A 5 -7.843 3.428 -0.117 1.00 0.91 O HETATM 134 C5' FAG A 5 -7.411 3.795 -1.422 1.00 0.95 C HETATM 135 C4' FAG A 5 -7.200 2.608 -2.319 1.00 1.00 C HETATM 136 O4' FAG A 5 -5.820 2.201 -2.252 1.00 0.88 O HETATM 137 C1' FAG A 5 -5.736 1.005 -1.458 1.00 0.69 C HETATM 138 N9 FAG A 5 -4.700 1.125 -0.439 1.00 0.52 N HETATM 139 C4 FAG A 5 -3.388 1.409 -0.722 1.00 0.64 C HETATM 140 N3 FAG A 5 -2.947 1.695 -1.978 1.00 0.83 N HETATM 141 C2 FAG A 5 -1.643 1.472 -2.137 1.00 0.92 C HETATM 142 N2 FAG A 5 -1.070 1.651 -3.326 1.00 1.10 N HETATM 143 N1 FAG A 5 -0.827 1.025 -1.135 1.00 0.88 N HETATM 144 C6 FAG A 5 -1.227 0.762 0.158 1.00 0.74 C HETATM 145 O6 FAG A 5 -0.406 0.378 0.984 1.00 0.79 O HETATM 146 C5 FAG A 5 -2.617 0.986 0.353 1.00 0.58 C HETATM 147 N7 FAG A 5 -3.052 0.875 1.675 1.00 0.47 N HETATM 148 C8 FAG A 5 -3.698 -0.333 1.840 1.00 0.39 C HETATM 149 O8 FAG A 5 -3.123 -1.366 1.639 1.00 0.43 O HETATM 150 C2' FAG A 5 -7.107 0.797 -0.860 1.00 0.71 C HETATM 151 C3' FAG A 5 -8.033 1.467 -1.820 1.00 0.97 C HETATM 152 O3' FAG A 5 -8.467 0.618 -2.906 1.00 1.15 O HETATM 153 C8A FAG A 5 -3.559 1.763 2.596 1.00 0.44 C HETATM 154 C9 FAG A 5 -2.647 2.490 3.641 1.00 0.66 C HETATM 155 O9 FAG A 5 -3.330 2.913 4.803 1.00 0.69 O HETATM 156 C9A FAG A 5 -2.447 3.661 2.636 1.00 0.68 C HETATM 157 C9B FAG A 5 -1.406 3.631 1.619 1.00 0.94 C HETATM 158 O7 FAG A 5 -4.299 3.006 2.547 1.00 0.38 O HETATM 159 C6A FAG A 5 -3.627 3.939 2.024 1.00 0.52 C HETATM 160 O6A FAG A 5 -3.422 3.975 0.660 1.00 0.72 O HETATM 161 C5M FAG A 5 -2.055 3.859 0.498 1.00 0.94 C HETATM 162 C5B FAG A 5 -1.476 3.895 -0.679 1.00 1.20 C HETATM 163 C4B FAG A 5 -0.085 3.760 -0.724 1.00 1.46 C HETATM 164 O4 FAG A 5 0.605 3.846 -1.886 1.00 1.76 O HETATM 165 CM FAG A 5 0.003 4.273 -3.100 1.00 1.76 C HETATM 166 C4A FAG A 5 0.628 3.530 0.476 1.00 1.49 C HETATM 167 CAA FAG A 5 -0.061 3.462 1.674 1.00 1.25 C HETATM 168 O10 FAG A 5 0.598 3.246 2.858 1.00 1.40 O HETATM 169 C11 FAG A 5 2.003 3.088 2.898 1.00 1.77 C HETATM 170 O11 FAG A 5 2.508 2.900 3.970 1.00 1.94 O HETATM 171 CBA FAG A 5 2.676 3.174 1.634 1.00 1.94 C HETATM 0 HN22 FAG A 5 -0.071 1.479 -3.442 1.00 1.10 H new HETATM 0 HN21 FAG A 5 -1.630 1.960 -4.121 1.00 1.10 H new HETATM 0 H5'2 FAG A 5 -8.150 4.458 -1.872 1.00 0.95 H new HETATM 0 H5'1 FAG A 5 -6.481 4.358 -1.347 1.00 0.95 H new HETATM 0 H2A2 FAG A 5 4.768 2.379 -0.558 1.00 2.45 H new HETATM 0 H2A1 FAG A 5 4.922 4.110 -0.331 1.00 2.45 H new HETATM 0 H2'2 FAG A 5 -7.339 -0.263 -0.757 1.00 0.71 H new HETATM 0 H2'1 FAG A 5 -7.178 1.237 0.135 1.00 0.71 H new HETATM 0 HO9 FAG A 5 -4.239 3.193 4.565 1.00 0.69 H new HETATM 0 HN9 FAG A 5 -4.965 0.991 0.537 1.00 0.52 H new HETATM 0 HM3 FAG A 5 -0.814 3.599 -3.357 1.00 1.76 H new HETATM 0 HM2 FAG A 5 -0.385 5.284 -2.978 1.00 1.76 H new HETATM 0 HM1 FAG A 5 0.746 4.263 -3.898 1.00 1.76 H new HETATM 0 H9A FAG A 5 -2.067 4.426 3.313 1.00 0.68 H new HETATM 0 H9 FAG A 5 -1.803 1.961 4.083 1.00 0.66 H new HETATM 0 H8 FAG A 5 -4.741 -0.349 2.156 1.00 0.39 H new HETATM 0 H6A FAG A 5 -4.133 4.896 2.153 1.00 0.52 H new HETATM 0 H5B FAG A 5 -2.059 4.026 -1.590 1.00 1.20 H new HETATM 0 H4' FAG A 5 -7.474 2.874 -3.340 1.00 1.00 H new HETATM 0 H32 FAG A 5 2.606 2.683 -1.431 1.00 2.13 H new HETATM 0 H31 FAG A 5 2.765 4.415 -1.215 1.00 2.13 H new HETATM 0 H3' FAG A 5 -8.970 1.761 -1.348 1.00 0.97 H new HETATM 0 H1' FAG A 5 -5.452 0.143 -2.061 1.00 0.69 H new HETATM 0 H1 FAG A 5 0.156 0.874 -1.362 1.00 0.88 H new ATOM 197 P DA A 6 -8.465 -0.999 -2.830 1.00 0.84 P ATOM 198 OP1 DA A 6 -9.585 -1.498 -3.660 1.00 0.97 O ATOM 199 OP2 DA A 6 -8.356 -1.421 -1.416 1.00 0.83 O ATOM 200 O5' DA A 6 -7.090 -1.363 -3.579 1.00 0.81 O ATOM 201 C5' DA A 6 -6.778 -0.728 -4.822 1.00 0.87 C ATOM 202 C4' DA A 6 -5.853 -1.591 -5.693 1.00 0.82 C ATOM 203 O4' DA A 6 -4.590 -1.750 -5.012 1.00 0.78 O ATOM 204 C3' DA A 6 -6.418 -2.972 -5.895 1.00 0.72 C ATOM 205 O3' DA A 6 -6.018 -3.517 -7.167 1.00 0.75 O ATOM 206 C2' DA A 6 -5.853 -3.716 -4.740 1.00 0.61 C ATOM 207 C1' DA A 6 -4.506 -3.091 -4.505 1.00 0.66 C ATOM 208 N9 DA A 6 -4.111 -3.112 -3.074 1.00 0.63 N ATOM 209 C8 DA A 6 -4.871 -3.035 -1.945 1.00 0.65 C ATOM 210 N7 DA A 6 -4.257 -3.091 -0.810 1.00 0.68 N ATOM 211 C5 DA A 6 -2.925 -3.219 -1.213 1.00 0.63 C ATOM 212 C6 DA A 6 -1.725 -3.330 -0.499 1.00 0.64 C ATOM 213 N6 DA A 6 -1.668 -3.341 0.832 1.00 0.71 N ATOM 214 N1 DA A 6 -0.588 -3.436 -1.209 1.00 0.59 N ATOM 215 C2 DA A 6 -0.625 -3.435 -2.543 1.00 0.56 C ATOM 216 N3 DA A 6 -1.700 -3.338 -3.319 1.00 0.58 N ATOM 217 C4 DA A 6 -2.827 -3.231 -2.585 1.00 0.60 C ATOM 0 H5' DA A 6 -6.301 0.233 -4.629 1.00 0.87 H new ATOM 0 H5'' DA A 6 -7.700 -0.523 -5.366 1.00 0.87 H new ATOM 0 H4' DA A 6 -5.744 -1.095 -6.657 1.00 0.82 H new ATOM 0 H3' DA A 6 -7.507 -3.012 -5.925 1.00 0.72 H new ATOM 0 H2' DA A 6 -6.490 -3.625 -3.860 1.00 0.61 H new ATOM 0 H2'' DA A 6 -5.763 -4.780 -4.960 1.00 0.61 H new ATOM 0 H1' DA A 6 -3.730 -3.659 -5.018 1.00 0.66 H new ATOM 0 H8 DA A 6 -5.945 -2.931 -1.997 1.00 0.65 H new ATOM 0 H61 DA A 6 -0.767 -3.424 1.303 1.00 0.71 H new ATOM 0 H62 DA A 6 -2.525 -3.266 1.380 1.00 0.71 H new ATOM 0 H2 DA A 6 0.325 -3.523 -3.049 1.00 0.56 H new ATOM 229 P DT A 7 -5.659 -5.081 -7.362 1.00 0.68 P ATOM 230 OP1 DT A 7 -5.740 -5.398 -8.805 1.00 0.80 O ATOM 231 OP2 DT A 7 -6.440 -5.873 -6.386 1.00 0.58 O ATOM 232 O5' DT A 7 -4.112 -5.119 -6.924 1.00 0.62 O ATOM 233 C5' DT A 7 -3.174 -4.265 -7.580 1.00 0.72 C ATOM 234 C4' DT A 7 -1.744 -4.791 -7.494 1.00 0.66 C ATOM 235 O4' DT A 7 -1.329 -4.865 -6.098 1.00 0.61 O ATOM 236 C3' DT A 7 -1.696 -6.221 -8.027 1.00 0.60 C ATOM 237 O3' DT A 7 -0.433 -6.516 -8.646 1.00 0.62 O ATOM 238 C2' DT A 7 -1.931 -7.051 -6.801 1.00 0.50 C ATOM 239 C1' DT A 7 -1.247 -6.256 -5.709 1.00 0.50 C ATOM 240 N1 DT A 7 -1.778 -6.544 -4.343 1.00 0.45 N ATOM 241 C2 DT A 7 -0.840 -6.845 -3.364 1.00 0.41 C ATOM 242 O2 DT A 7 0.368 -6.851 -3.592 1.00 0.42 O ATOM 243 N3 DT A 7 -1.336 -7.142 -2.111 1.00 0.38 N ATOM 244 C4 DT A 7 -2.664 -7.167 -1.745 1.00 0.40 C ATOM 245 O4 DT A 7 -2.987 -7.438 -0.591 1.00 0.41 O ATOM 246 C5 DT A 7 -3.577 -6.852 -2.816 1.00 0.43 C ATOM 247 C7 DT A 7 -5.081 -6.920 -2.537 1.00 0.47 C ATOM 248 C6 DT A 7 -3.118 -6.550 -4.061 1.00 0.45 C ATOM 0 H5' DT A 7 -3.219 -3.271 -7.135 1.00 0.72 H new ATOM 0 H5'' DT A 7 -3.456 -4.158 -8.627 1.00 0.72 H new ATOM 0 H4' DT A 7 -1.100 -4.124 -8.067 1.00 0.66 H new ATOM 0 H3' DT A 7 -2.430 -6.410 -8.810 1.00 0.60 H new ATOM 0 H2' DT A 7 -2.994 -7.180 -6.600 1.00 0.50 H new ATOM 0 H2'' DT A 7 -1.503 -8.048 -6.902 1.00 0.50 H new ATOM 0 H1' DT A 7 -0.202 -6.551 -5.618 1.00 0.50 H new ATOM 0 H3 DT A 7 -0.654 -7.364 -1.386 1.00 0.38 H new ATOM 0 H71 DT A 7 -5.276 -7.672 -1.773 1.00 0.47 H new ATOM 0 H72 DT A 7 -5.430 -5.949 -2.187 1.00 0.47 H new ATOM 0 H73 DT A 7 -5.609 -7.187 -3.452 1.00 0.47 H new ATOM 0 H6 DT A 7 -3.824 -6.310 -4.842 1.00 0.45 H new ATOM 261 P DT A 8 0.150 -8.021 -8.673 1.00 0.56 P ATOM 262 OP1 DT A 8 1.250 -8.076 -9.662 1.00 0.62 O ATOM 263 OP2 DT A 8 -0.985 -8.965 -8.777 1.00 0.54 O ATOM 264 O5' DT A 8 0.786 -8.154 -7.198 1.00 0.46 O ATOM 265 C5' DT A 8 1.922 -7.361 -6.857 1.00 0.50 C ATOM 266 C4' DT A 8 3.031 -8.179 -6.206 1.00 0.48 C ATOM 267 O4' DT A 8 2.697 -8.470 -4.825 1.00 0.41 O ATOM 268 C3' DT A 8 3.193 -9.526 -6.896 1.00 0.48 C ATOM 269 O3' DT A 8 4.550 -9.981 -6.855 1.00 0.53 O ATOM 270 C2' DT A 8 2.281 -10.424 -6.112 1.00 0.41 C ATOM 271 C1' DT A 8 2.362 -9.872 -4.700 1.00 0.36 C ATOM 272 N1 DT A 8 1.111 -10.078 -3.937 1.00 0.28 N ATOM 273 C2 DT A 8 1.238 -10.468 -2.615 1.00 0.24 C ATOM 274 O2 DT A 8 2.333 -10.636 -2.082 1.00 0.27 O ATOM 275 N3 DT A 8 0.059 -10.664 -1.925 1.00 0.18 N ATOM 276 C4 DT A 8 -1.216 -10.510 -2.431 1.00 0.17 C ATOM 277 O4 DT A 8 -2.198 -10.712 -1.721 1.00 0.16 O ATOM 278 C5 DT A 8 -1.251 -10.106 -3.817 1.00 0.22 C ATOM 279 C7 DT A 8 -2.591 -9.929 -4.515 1.00 0.24 C ATOM 280 C6 DT A 8 -0.118 -9.903 -4.511 1.00 0.27 C ATOM 0 H5' DT A 8 1.615 -6.566 -6.178 1.00 0.50 H new ATOM 0 H5'' DT A 8 2.309 -6.881 -7.756 1.00 0.50 H new ATOM 0 H4' DT A 8 3.945 -7.590 -6.283 1.00 0.48 H new ATOM 0 H3' DT A 8 2.946 -9.493 -7.957 1.00 0.48 H new ATOM 0 H2' DT A 8 1.261 -10.394 -6.496 1.00 0.41 H new ATOM 0 H2'' DT A 8 2.607 -11.463 -6.155 1.00 0.41 H new ATOM 0 H1' DT A 8 3.123 -10.404 -4.129 1.00 0.36 H new ATOM 0 H3 DT A 8 0.137 -10.950 -0.949 1.00 0.18 H new ATOM 0 H71 DT A 8 -2.500 -9.166 -5.288 1.00 0.24 H new ATOM 0 H72 DT A 8 -2.892 -10.873 -4.970 1.00 0.24 H new ATOM 0 H73 DT A 8 -3.342 -9.621 -3.788 1.00 0.24 H new ATOM 0 H6 DT A 8 -0.179 -9.595 -5.544 1.00 0.27 H new ATOM 293 P DC A 9 4.946 -11.459 -7.366 1.00 0.57 P ATOM 294 OP1 DC A 9 6.236 -11.370 -8.087 1.00 0.65 O ATOM 295 OP2 DC A 9 3.768 -12.061 -8.031 1.00 0.57 O ATOM 296 O5' DC A 9 5.194 -12.238 -5.981 1.00 0.55 O ATOM 297 C5' DC A 9 6.138 -11.721 -5.042 1.00 0.56 C ATOM 298 C4' DC A 9 6.495 -12.733 -3.957 1.00 0.56 C ATOM 299 O4' DC A 9 5.380 -12.868 -3.044 1.00 0.47 O ATOM 300 C3' DC A 9 6.727 -14.109 -4.560 1.00 0.62 C ATOM 301 O3' DC A 9 7.656 -14.875 -3.779 1.00 0.68 O ATOM 302 C2' DC A 9 5.358 -14.711 -4.537 1.00 0.57 C ATOM 303 C1' DC A 9 4.733 -14.137 -3.284 1.00 0.47 C ATOM 304 N1 DC A 9 3.254 -13.996 -3.362 1.00 0.40 N ATOM 305 C2 DC A 9 2.545 -14.254 -2.195 1.00 0.36 C ATOM 306 O2 DC A 9 3.139 -14.589 -1.172 1.00 0.39 O ATOM 307 N3 DC A 9 1.191 -14.131 -2.217 1.00 0.31 N ATOM 308 C4 DC A 9 0.551 -13.774 -3.336 1.00 0.31 C ATOM 309 N4 DC A 9 -0.777 -13.649 -3.318 1.00 0.29 N ATOM 310 C5 DC A 9 1.270 -13.512 -4.542 1.00 0.35 C ATOM 311 C6 DC A 9 2.612 -13.630 -4.512 1.00 0.40 C ATOM 0 H5' DC A 9 5.730 -10.824 -4.577 1.00 0.56 H new ATOM 0 H5'' DC A 9 7.044 -11.423 -5.569 1.00 0.56 H new ATOM 0 H4' DC A 9 7.394 -12.379 -3.453 1.00 0.56 H new ATOM 0 H3' DC A 9 7.166 -14.077 -5.557 1.00 0.62 H new ATOM 0 H2' DC A 9 4.788 -14.444 -5.427 1.00 0.57 H new ATOM 0 H2'' DC A 9 5.400 -15.800 -4.501 1.00 0.57 H new ATOM 0 H1' DC A 9 4.888 -14.827 -2.454 1.00 0.47 H new ATOM 0 H41 DC A 9 -1.275 -13.377 -4.166 1.00 0.29 H new ATOM 0 H42 DC A 9 -1.294 -13.825 -2.457 1.00 0.29 H new ATOM 0 H5 DC A 9 0.755 -13.229 -5.448 1.00 0.35 H new ATOM 0 H6 DC A 9 3.186 -13.433 -5.405 1.00 0.40 H new ATOM 323 P DA A 10 7.853 -16.455 -4.039 1.00 0.81 P ATOM 324 OP1 DA A 10 9.202 -16.839 -3.564 1.00 1.07 O ATOM 325 OP2 DA A 10 7.451 -16.755 -5.433 1.00 0.77 O ATOM 326 O5' DA A 10 6.763 -17.111 -3.048 1.00 1.03 O ATOM 327 C5' DA A 10 7.003 -17.148 -1.638 1.00 0.70 C ATOM 328 C4' DA A 10 6.458 -18.420 -0.988 1.00 0.76 C ATOM 329 O4' DA A 10 5.035 -18.281 -0.763 1.00 0.70 O ATOM 330 C3' DA A 10 6.629 -19.616 -1.909 1.00 0.92 C ATOM 331 O3' DA A 10 6.760 -20.829 -1.160 1.00 1.05 O ATOM 332 C2' DA A 10 5.360 -19.608 -2.707 1.00 0.90 C ATOM 333 C1' DA A 10 4.322 -19.103 -1.715 1.00 0.78 C ATOM 334 N9 DA A 10 3.204 -18.352 -2.344 1.00 0.69 N ATOM 335 C8 DA A 10 3.055 -17.840 -3.599 1.00 0.65 C ATOM 336 N7 DA A 10 1.935 -17.259 -3.877 1.00 0.59 N ATOM 337 C5 DA A 10 1.242 -17.389 -2.672 1.00 0.59 C ATOM 338 C6 DA A 10 -0.035 -16.985 -2.265 1.00 0.56 C ATOM 339 N6 DA A 10 -0.891 -16.357 -3.069 1.00 0.53 N ATOM 340 N1 DA A 10 -0.402 -17.271 -1.005 1.00 0.60 N ATOM 341 C2 DA A 10 0.430 -17.918 -0.188 1.00 0.66 C ATOM 342 N3 DA A 10 1.656 -18.347 -0.469 1.00 0.69 N ATOM 343 C4 DA A 10 2.004 -18.049 -1.737 1.00 0.65 C ATOM 0 H5' DA A 10 6.542 -16.278 -1.171 1.00 0.70 H new ATOM 0 H5'' DA A 10 8.075 -17.079 -1.453 1.00 0.70 H new ATOM 0 H4' DA A 10 7.005 -18.570 -0.057 1.00 0.76 H new ATOM 0 H3' DA A 10 7.526 -19.559 -2.526 1.00 0.92 H new ATOM 0 H2' DA A 10 5.436 -18.955 -3.576 1.00 0.90 H new ATOM 0 H2'' DA A 10 5.112 -20.603 -3.077 1.00 0.90 H new ATOM 0 HO3' DA A 10 6.867 -21.584 -1.776 1.00 1.05 H new ATOM 0 H1' DA A 10 3.837 -19.954 -1.237 1.00 0.78 H new ATOM 0 H8 DA A 10 3.844 -17.917 -4.333 1.00 0.65 H new ATOM 0 H61 DA A 10 -1.810 -16.084 -2.722 1.00 0.53 H new ATOM 0 H62 DA A 10 -0.627 -16.149 -4.032 1.00 0.53 H new ATOM 0 H2 DA A 10 0.068 -18.115 0.810 1.00 0.66 H new TER 356 DA A 10 ATOM 357 O5' DT B 11 -8.058 -18.585 2.014 1.00 0.91 O ATOM 358 C5' DT B 11 -7.918 -19.759 2.819 1.00 0.97 C ATOM 359 C4' DT B 11 -6.643 -19.719 3.662 1.00 0.87 C ATOM 360 O4' DT B 11 -5.499 -19.606 2.785 1.00 0.82 O ATOM 361 C3' DT B 11 -6.628 -18.486 4.551 1.00 0.78 C ATOM 362 O3' DT B 11 -5.882 -18.705 5.759 1.00 0.74 O ATOM 363 C2' DT B 11 -5.965 -17.463 3.696 1.00 0.68 C ATOM 364 C1' DT B 11 -4.963 -18.271 2.889 1.00 0.69 C ATOM 365 N1 DT B 11 -4.674 -17.681 1.556 1.00 0.65 N ATOM 366 C2 DT B 11 -3.340 -17.576 1.196 1.00 0.59 C ATOM 367 O2 DT B 11 -2.428 -17.941 1.935 1.00 0.59 O ATOM 368 N3 DT B 11 -3.087 -17.031 -0.047 1.00 0.57 N ATOM 369 C4 DT B 11 -4.031 -16.585 -0.951 1.00 0.60 C ATOM 370 O4 DT B 11 -3.685 -16.113 -2.031 1.00 0.58 O ATOM 371 C5 DT B 11 -5.395 -16.731 -0.495 1.00 0.68 C ATOM 372 C7 DT B 11 -6.541 -16.272 -1.392 1.00 0.75 C ATOM 373 C6 DT B 11 -5.673 -17.263 0.714 1.00 0.70 C ATOM 0 H5' DT B 11 -7.902 -20.640 2.178 1.00 0.97 H new ATOM 0 H5'' DT B 11 -8.784 -19.857 3.474 1.00 0.97 H new ATOM 0 H4' DT B 11 -6.609 -20.627 4.265 1.00 0.87 H new ATOM 0 H3' DT B 11 -7.625 -18.197 4.883 1.00 0.78 H new ATOM 0 H2' DT B 11 -6.681 -16.953 3.052 1.00 0.68 H new ATOM 0 H2'' DT B 11 -5.473 -16.697 4.295 1.00 0.68 H new ATOM 0 HO5' DT B 11 -8.882 -18.646 1.488 1.00 0.91 H new ATOM 0 H1' DT B 11 -3.997 -18.275 3.394 1.00 0.69 H new ATOM 0 H3 DT B 11 -2.109 -16.950 -0.324 1.00 0.57 H new ATOM 0 H71 DT B 11 -7.422 -16.885 -1.199 1.00 0.75 H new ATOM 0 H72 DT B 11 -6.772 -15.228 -1.181 1.00 0.75 H new ATOM 0 H73 DT B 11 -6.249 -16.375 -2.437 1.00 0.75 H new ATOM 0 H6 DT B 11 -6.703 -17.362 1.025 1.00 0.70 H new ATOM 387 P DG B 12 -5.439 -17.463 6.698 1.00 0.64 P ATOM 388 OP1 DG B 12 -5.284 -17.965 8.083 1.00 0.67 O ATOM 389 OP2 DG B 12 -6.351 -16.328 6.428 1.00 0.64 O ATOM 390 O5' DG B 12 -3.973 -17.078 6.132 1.00 0.54 O ATOM 391 C5' DG B 12 -2.813 -17.730 6.660 1.00 0.56 C ATOM 392 C4' DG B 12 -1.620 -16.791 6.846 1.00 0.48 C ATOM 393 O4' DG B 12 -1.075 -16.416 5.558 1.00 0.43 O ATOM 394 C3' DG B 12 -2.061 -15.503 7.511 1.00 0.44 C ATOM 395 O3' DG B 12 -0.991 -14.958 8.306 1.00 0.46 O ATOM 396 C2' DG B 12 -2.413 -14.629 6.351 1.00 0.39 C ATOM 397 C1' DG B 12 -1.405 -15.034 5.298 1.00 0.36 C ATOM 398 N9 DG B 12 -1.860 -14.815 3.896 1.00 0.33 N ATOM 399 C8 DG B 12 -3.100 -14.580 3.376 1.00 0.35 C ATOM 400 N7 DG B 12 -3.192 -14.400 2.102 1.00 0.35 N ATOM 401 C5 DG B 12 -1.865 -14.524 1.697 1.00 0.30 C ATOM 402 C6 DG B 12 -1.301 -14.426 0.398 1.00 0.29 C ATOM 403 O6 DG B 12 -1.873 -14.206 -0.668 1.00 0.30 O ATOM 404 N1 DG B 12 0.074 -14.613 0.424 1.00 0.30 N ATOM 405 C2 DG B 12 0.822 -14.862 1.558 1.00 0.34 C ATOM 406 N2 DG B 12 2.135 -15.008 1.380 1.00 0.41 N ATOM 407 N3 DG B 12 0.299 -14.956 2.783 1.00 0.34 N ATOM 408 C4 DG B 12 -1.042 -14.778 2.785 1.00 0.31 C ATOM 0 H5' DG B 12 -2.526 -18.542 5.992 1.00 0.56 H new ATOM 0 H5'' DG B 12 -3.064 -18.181 7.620 1.00 0.56 H new ATOM 0 H4' DG B 12 -0.883 -17.316 7.453 1.00 0.48 H new ATOM 0 H3' DG B 12 -2.895 -15.621 8.203 1.00 0.44 H new ATOM 0 H2' DG B 12 -3.436 -14.797 6.015 1.00 0.39 H new ATOM 0 H2'' DG B 12 -2.330 -13.572 6.603 1.00 0.39 H new ATOM 0 H1' DG B 12 -0.527 -14.393 5.375 1.00 0.36 H new ATOM 0 H8 DG B 12 -3.974 -14.546 4.009 1.00 0.35 H new ATOM 0 H1 DG B 12 0.572 -14.563 -0.465 1.00 0.30 H new ATOM 0 H21 DG B 12 2.741 -15.194 2.180 1.00 0.41 H new ATOM 0 H22 DG B 12 2.534 -14.934 0.444 1.00 0.41 H new ATOM 420 P DA B 13 -0.927 -13.400 8.727 1.00 0.51 P ATOM 421 OP1 DA B 13 -0.561 -13.325 10.160 1.00 0.63 O ATOM 422 OP2 DA B 13 -2.149 -12.719 8.244 1.00 0.49 O ATOM 423 O5' DA B 13 0.324 -12.869 7.862 1.00 0.53 O ATOM 424 C5' DA B 13 1.588 -13.535 7.951 1.00 0.59 C ATOM 425 C4' DA B 13 2.711 -12.733 7.291 1.00 0.65 C ATOM 426 O4' DA B 13 2.421 -12.571 5.884 1.00 0.52 O ATOM 427 C3' DA B 13 2.775 -11.336 7.886 1.00 0.77 C ATOM 428 O3' DA B 13 4.113 -10.810 7.857 1.00 0.93 O ATOM 429 C2' DA B 13 1.856 -10.556 7.001 1.00 0.67 C ATOM 430 C1' DA B 13 2.054 -11.201 5.634 1.00 0.52 C ATOM 431 N9 DA B 13 0.857 -11.093 4.755 1.00 0.38 N ATOM 432 C8 DA B 13 -0.467 -10.937 5.054 1.00 0.38 C ATOM 433 N7 DA B 13 -1.297 -10.884 4.070 1.00 0.33 N ATOM 434 C5 DA B 13 -0.448 -11.014 2.974 1.00 0.25 C ATOM 435 C6 DA B 13 -0.684 -11.035 1.599 1.00 0.22 C ATOM 436 N6 DA B 13 -1.903 -10.928 1.071 1.00 0.31 N ATOM 437 N1 DA B 13 0.381 -11.173 0.790 1.00 0.20 N ATOM 438 C2 DA B 13 1.608 -11.287 1.303 1.00 0.24 C ATOM 439 N3 DA B 13 1.945 -11.282 2.588 1.00 0.30 N ATOM 440 C4 DA B 13 0.862 -11.140 3.378 1.00 0.29 C ATOM 0 H5' DA B 13 1.515 -14.514 7.477 1.00 0.59 H new ATOM 0 H5'' DA B 13 1.834 -13.706 8.999 1.00 0.59 H new ATOM 0 H4' DA B 13 3.649 -13.266 7.449 1.00 0.65 H new ATOM 0 H3' DA B 13 2.488 -11.303 8.937 1.00 0.77 H new ATOM 0 H2' DA B 13 0.820 -10.628 7.333 1.00 0.67 H new ATOM 0 H2'' DA B 13 2.114 -9.497 6.987 1.00 0.67 H new ATOM 0 H1' DA B 13 2.835 -10.677 5.082 1.00 0.52 H new ATOM 0 H8 DA B 13 -0.805 -10.861 6.077 1.00 0.38 H new ATOM 0 H61 DA B 13 -2.024 -10.949 0.058 1.00 0.31 H new ATOM 0 H62 DA B 13 -2.715 -10.825 1.680 1.00 0.31 H new ATOM 0 H2 DA B 13 2.416 -11.395 0.595 1.00 0.24 H new ATOM 452 P DA B 14 4.403 -9.216 7.854 1.00 1.10 P ATOM 453 OP1 DA B 14 5.651 -8.972 8.611 1.00 1.37 O ATOM 454 OP2 DA B 14 3.161 -8.503 8.232 1.00 1.43 O ATOM 455 O5' DA B 14 4.697 -8.932 6.296 1.00 0.69 O ATOM 456 C5' DA B 14 5.755 -9.645 5.660 1.00 0.63 C ATOM 457 C4' DA B 14 6.179 -9.049 4.321 1.00 0.59 C ATOM 458 O4' DA B 14 5.089 -9.202 3.368 1.00 0.56 O ATOM 459 C3' DA B 14 6.422 -7.536 4.450 1.00 0.58 C ATOM 460 O3' DA B 14 7.449 -7.033 3.580 1.00 0.63 O ATOM 461 C2' DA B 14 5.118 -6.946 4.082 1.00 0.53 C ATOM 462 C1' DA B 14 4.533 -7.907 3.080 1.00 0.52 C ATOM 463 N9 DA B 14 3.063 -7.849 3.079 1.00 0.49 N ATOM 464 C8 DA B 14 2.194 -7.740 4.106 1.00 0.49 C ATOM 465 N7 DA B 14 0.938 -7.639 3.817 1.00 0.47 N ATOM 466 C5 DA B 14 0.969 -7.670 2.419 1.00 0.45 C ATOM 467 C6 DA B 14 -0.029 -7.590 1.443 1.00 0.43 C ATOM 468 N6 DA B 14 -1.325 -7.476 1.730 1.00 0.43 N ATOM 469 N1 DA B 14 0.361 -7.632 0.156 1.00 0.43 N ATOM 470 C2 DA B 14 1.650 -7.759 -0.157 1.00 0.45 C ATOM 471 N3 DA B 14 2.671 -7.852 0.685 1.00 0.46 N ATOM 472 C4 DA B 14 2.259 -7.798 1.967 1.00 0.46 C ATOM 0 H5' DA B 14 5.443 -10.678 5.505 1.00 0.63 H new ATOM 0 H5'' DA B 14 6.617 -9.669 6.326 1.00 0.63 H new ATOM 0 H4' DA B 14 7.087 -9.559 4.000 1.00 0.59 H new ATOM 0 H3' DA B 14 6.770 -7.285 5.452 1.00 0.58 H new ATOM 0 H2' DA B 14 4.471 -6.840 4.953 1.00 0.53 H new ATOM 0 H2'' DA B 14 5.240 -5.952 3.653 1.00 0.53 H new ATOM 0 H1' DA B 14 4.799 -7.643 2.056 1.00 0.52 H new ATOM 0 H8 DA B 14 2.535 -7.737 5.131 1.00 0.49 H new ATOM 0 H61 DA B 14 -2.011 -7.422 0.977 1.00 0.43 H new ATOM 0 H62 DA B 14 -1.631 -7.443 2.702 1.00 0.43 H new ATOM 0 H2 DA B 14 1.889 -7.790 -1.210 1.00 0.45 H new ATOM 484 P DT B 15 7.611 -5.428 3.345 1.00 0.75 P ATOM 485 OP1 DT B 15 9.057 -5.116 3.288 1.00 0.88 O ATOM 486 OP2 DT B 15 6.745 -4.716 4.313 1.00 0.88 O ATOM 487 O5' DT B 15 6.993 -5.221 1.866 1.00 0.67 O ATOM 488 C5' DT B 15 7.589 -5.953 0.808 1.00 0.66 C ATOM 489 C4' DT B 15 7.322 -5.419 -0.602 1.00 0.67 C ATOM 490 O4' DT B 15 5.897 -5.380 -0.838 1.00 0.62 O ATOM 491 C3' DT B 15 7.825 -3.994 -0.801 1.00 0.70 C ATOM 492 O3' DT B 15 8.205 -3.753 -2.165 1.00 0.76 O ATOM 493 C2' DT B 15 6.637 -3.137 -0.426 1.00 0.64 C ATOM 494 C1' DT B 15 5.438 -4.006 -0.816 1.00 0.60 C ATOM 495 N1 DT B 15 4.252 -3.844 0.074 1.00 0.54 N ATOM 496 C2 DT B 15 3.054 -3.550 -0.560 1.00 0.51 C ATOM 497 O2 DT B 15 2.971 -3.429 -1.781 1.00 0.54 O ATOM 498 N3 DT B 15 1.951 -3.396 0.255 1.00 0.48 N ATOM 499 C4 DT B 15 1.935 -3.495 1.631 1.00 0.48 C ATOM 500 O4 DT B 15 0.889 -3.339 2.255 1.00 0.47 O ATOM 501 C5 DT B 15 3.225 -3.798 2.211 1.00 0.51 C ATOM 502 C7 DT B 15 3.384 -3.872 3.719 1.00 0.53 C ATOM 503 C6 DT B 15 4.313 -3.971 1.449 1.00 0.54 C ATOM 0 H5' DT B 15 7.236 -6.983 0.859 1.00 0.66 H new ATOM 0 H5'' DT B 15 8.667 -5.977 0.969 1.00 0.66 H new ATOM 0 H4' DT B 15 7.847 -6.087 -1.285 1.00 0.67 H new ATOM 0 H3' DT B 15 8.713 -3.785 -0.205 1.00 0.70 H new ATOM 0 H2' DT B 15 6.632 -2.899 0.638 1.00 0.64 H new ATOM 0 H2'' DT B 15 6.639 -2.189 -0.964 1.00 0.64 H new ATOM 0 H1' DT B 15 5.081 -3.687 -1.795 1.00 0.60 H new ATOM 0 H3 DT B 15 1.064 -3.189 -0.203 1.00 0.48 H new ATOM 0 H71 DT B 15 2.671 -3.198 4.194 1.00 0.53 H new ATOM 0 H72 DT B 15 3.198 -4.892 4.055 1.00 0.53 H new ATOM 0 H73 DT B 15 4.397 -3.579 3.993 1.00 0.53 H new ATOM 0 H6 DT B 15 5.255 -4.214 1.918 1.00 0.54 H new ATOM 516 P DC B 16 8.470 -2.247 -2.695 1.00 0.79 P ATOM 517 OP1 DC B 16 9.169 -2.335 -3.998 1.00 0.88 O ATOM 518 OP2 DC B 16 9.074 -1.467 -1.591 1.00 0.83 O ATOM 519 O5' DC B 16 6.976 -1.679 -2.956 1.00 0.70 O ATOM 520 C5' DC B 16 6.410 -1.726 -4.271 1.00 0.72 C ATOM 521 C4' DC B 16 5.672 -0.432 -4.669 1.00 0.71 C ATOM 522 O4' DC B 16 4.392 -0.346 -3.976 1.00 0.59 O ATOM 523 C3' DC B 16 6.444 0.824 -4.244 1.00 0.79 C ATOM 524 O3' DC B 16 6.201 1.900 -5.167 1.00 0.86 O ATOM 525 C2' DC B 16 5.897 1.140 -2.873 1.00 0.68 C ATOM 526 C1' DC B 16 4.450 0.707 -2.974 1.00 0.56 C ATOM 527 N1 DC B 16 3.852 0.303 -1.672 1.00 0.47 N ATOM 528 C2 DC B 16 2.468 0.329 -1.598 1.00 0.42 C ATOM 529 O2 DC B 16 1.797 0.624 -2.588 1.00 0.44 O ATOM 530 N3 DC B 16 1.879 0.033 -0.413 1.00 0.46 N ATOM 531 C4 DC B 16 2.604 -0.287 0.663 1.00 0.54 C ATOM 532 N4 DC B 16 1.985 -0.567 1.808 1.00 0.66 N ATOM 533 C5 DC B 16 4.028 -0.319 0.600 1.00 0.59 C ATOM 534 C6 DC B 16 4.611 -0.018 -0.577 1.00 0.56 C ATOM 0 H5' DC B 16 5.715 -2.564 -4.329 1.00 0.72 H new ATOM 0 H5'' DC B 16 7.203 -1.919 -4.993 1.00 0.72 H new ATOM 0 H4' DC B 16 5.561 -0.473 -5.753 1.00 0.71 H new ATOM 0 H3' DC B 16 7.524 0.679 -4.233 1.00 0.79 H new ATOM 0 H2' DC B 16 6.427 0.595 -2.092 1.00 0.68 H new ATOM 0 H2'' DC B 16 5.985 2.201 -2.638 1.00 0.68 H new ATOM 0 H1' DC B 16 3.835 1.555 -3.276 1.00 0.56 H new ATOM 0 H41 DC B 16 2.529 -0.812 2.635 1.00 0.66 H new ATOM 0 H42 DC B 16 0.967 -0.536 1.858 1.00 0.66 H new ATOM 0 H5 DC B 16 4.619 -0.576 1.466 1.00 0.59 H new ATOM 0 H6 DC B 16 5.688 -0.030 -0.658 1.00 0.56 H new ATOM 546 P DA B 17 6.711 3.412 -4.886 1.00 0.92 P ATOM 547 OP1 DA B 17 7.854 3.688 -5.784 1.00 1.25 O ATOM 548 OP2 DA B 17 6.859 3.604 -3.425 1.00 0.86 O ATOM 549 O5' DA B 17 5.456 4.295 -5.384 1.00 0.80 O ATOM 550 C5' DA B 17 4.624 3.809 -6.441 1.00 0.85 C ATOM 551 C4' DA B 17 3.529 4.810 -6.840 1.00 0.86 C ATOM 552 O4' DA B 17 2.680 5.098 -5.701 1.00 0.73 O ATOM 553 C3' DA B 17 4.159 6.125 -7.244 1.00 0.89 C ATOM 554 O3' DA B 17 3.362 6.789 -8.245 1.00 1.00 O ATOM 555 C2' DA B 17 4.207 6.881 -5.965 1.00 0.74 C ATOM 556 C1' DA B 17 2.960 6.436 -5.236 1.00 0.67 C ATOM 557 N9 DA B 17 3.111 6.496 -3.763 1.00 0.56 N ATOM 558 C8 DA B 17 4.176 6.183 -2.984 1.00 0.54 C ATOM 559 N7 DA B 17 4.052 6.342 -1.705 1.00 0.50 N ATOM 560 C5 DA B 17 2.740 6.820 -1.603 1.00 0.49 C ATOM 561 C6 DA B 17 1.942 7.195 -0.508 1.00 0.55 C ATOM 562 N6 DA B 17 2.363 7.158 0.759 1.00 0.61 N ATOM 563 N1 DA B 17 0.690 7.604 -0.773 1.00 0.63 N ATOM 564 C2 DA B 17 0.241 7.662 -2.025 1.00 0.64 C ATOM 565 N3 DA B 17 0.905 7.334 -3.133 1.00 0.60 N ATOM 566 C4 DA B 17 2.159 6.915 -2.851 1.00 0.53 C ATOM 0 H5' DA B 17 4.160 2.873 -6.131 1.00 0.85 H new ATOM 0 H5'' DA B 17 5.242 3.586 -7.311 1.00 0.85 H new ATOM 0 H4' DA B 17 2.958 4.372 -7.659 1.00 0.86 H new ATOM 0 H3' DA B 17 5.144 6.020 -7.699 1.00 0.89 H new ATOM 0 H2' DA B 17 5.107 6.648 -5.396 1.00 0.74 H new ATOM 0 H2'' DA B 17 4.208 7.957 -6.136 1.00 0.74 H new ATOM 0 H1' DA B 17 2.129 7.107 -5.451 1.00 0.67 H new ATOM 0 H8 DA B 17 5.095 5.814 -3.415 1.00 0.54 H new ATOM 0 H61 DA B 17 1.738 7.443 1.513 1.00 0.61 H new ATOM 0 H62 DA B 17 3.310 6.845 0.973 1.00 0.61 H new ATOM 0 H2 DA B 17 -0.772 8.013 -2.157 1.00 0.64 H new ATOM 578 P DT B 18 3.358 8.396 -8.419 1.00 0.92 P ATOM 579 OP1 DT B 18 3.015 8.708 -9.824 1.00 1.04 O ATOM 580 OP2 DT B 18 4.602 8.939 -7.827 1.00 0.85 O ATOM 581 O5' DT B 18 2.119 8.838 -7.488 1.00 0.82 O ATOM 582 C5' DT B 18 0.819 8.286 -7.720 1.00 0.93 C ATOM 583 C4' DT B 18 -0.295 9.268 -7.416 1.00 0.93 C ATOM 584 O4' DT B 18 -0.327 9.539 -6.003 1.00 0.83 O ATOM 585 C3' DT B 18 -0.013 10.582 -8.117 1.00 0.92 C ATOM 586 O3' DT B 18 -1.248 11.236 -8.445 1.00 1.04 O ATOM 587 C2' DT B 18 0.787 11.348 -7.078 1.00 0.79 C ATOM 588 C1' DT B 18 0.137 10.877 -5.776 1.00 0.76 C ATOM 589 N1 DT B 18 1.011 10.960 -4.570 1.00 0.65 N ATOM 590 C2 DT B 18 0.432 11.478 -3.424 1.00 0.65 C ATOM 591 O2 DT B 18 -0.721 11.904 -3.407 1.00 0.76 O ATOM 592 N3 DT B 18 1.223 11.496 -2.293 1.00 0.60 N ATOM 593 C4 DT B 18 2.529 11.059 -2.202 1.00 0.54 C ATOM 594 O4 DT B 18 3.139 11.134 -1.139 1.00 0.55 O ATOM 595 C5 DT B 18 3.062 10.540 -3.438 1.00 0.59 C ATOM 596 C7 DT B 18 4.507 10.036 -3.469 1.00 0.67 C ATOM 597 C6 DT B 18 2.309 10.501 -4.561 1.00 0.64 C ATOM 0 H5' DT B 18 0.691 7.396 -7.104 1.00 0.93 H new ATOM 0 H5'' DT B 18 0.744 7.968 -8.760 1.00 0.93 H new ATOM 0 H4' DT B 18 -1.240 8.840 -7.751 1.00 0.93 H new ATOM 0 H3' DT B 18 0.522 10.486 -9.062 1.00 0.92 H new ATOM 0 H2' DT B 18 1.849 11.104 -7.117 1.00 0.79 H new ATOM 0 H2'' DT B 18 0.703 12.427 -7.210 1.00 0.79 H new ATOM 0 H1' DT B 18 -0.682 11.555 -5.536 1.00 0.76 H new ATOM 0 H3 DT B 18 0.802 11.868 -1.442 1.00 0.60 H new ATOM 0 H71 DT B 18 4.600 9.242 -4.210 1.00 0.67 H new ATOM 0 H72 DT B 18 5.173 10.857 -3.732 1.00 0.67 H new ATOM 0 H73 DT B 18 4.779 9.649 -2.487 1.00 0.67 H new ATOM 0 H6 DT B 18 2.735 10.101 -5.470 1.00 0.64 H new ATOM 610 P DA B 19 -1.306 12.757 -8.975 1.00 0.89 P ATOM 611 OP1 DA B 19 -1.938 12.757 -10.314 1.00 1.76 O ATOM 612 OP2 DA B 19 0.025 13.378 -8.790 1.00 1.29 O ATOM 613 O5' DA B 19 -2.330 13.437 -7.936 1.00 1.03 O ATOM 614 C5' DA B 19 -3.612 12.847 -7.677 1.00 1.01 C ATOM 615 C4' DA B 19 -4.429 13.685 -6.695 1.00 0.98 C ATOM 616 O4' DA B 19 -3.702 13.808 -5.451 1.00 0.76 O ATOM 617 C3' DA B 19 -4.609 15.084 -7.237 1.00 1.10 C ATOM 618 O3' DA B 19 -5.836 15.673 -6.775 1.00 1.21 O ATOM 619 C2' DA B 19 -3.418 15.793 -6.701 1.00 0.97 C ATOM 620 C1' DA B 19 -3.210 15.154 -5.340 1.00 0.75 C ATOM 621 N9 DA B 19 -1.797 15.206 -4.886 1.00 0.61 N ATOM 622 C8 DA B 19 -0.648 15.255 -5.605 1.00 0.62 C ATOM 623 N7 DA B 19 0.467 15.257 -4.958 1.00 0.56 N ATOM 624 C5 DA B 19 0.025 15.212 -3.636 1.00 0.49 C ATOM 625 C6 DA B 19 0.707 15.194 -2.416 1.00 0.47 C ATOM 626 N6 DA B 19 2.038 15.207 -2.326 1.00 0.56 N ATOM 627 N1 DA B 19 -0.033 15.157 -1.296 1.00 0.44 N ATOM 628 C2 DA B 19 -1.367 15.135 -1.368 1.00 0.43 C ATOM 629 N3 DA B 19 -2.114 15.144 -2.469 1.00 0.49 N ATOM 630 C4 DA B 19 -1.350 15.184 -3.579 1.00 0.51 C ATOM 0 H5' DA B 19 -3.476 11.843 -7.274 1.00 1.01 H new ATOM 0 H5'' DA B 19 -4.161 12.744 -8.613 1.00 1.01 H new ATOM 0 H4' DA B 19 -5.394 13.199 -6.547 1.00 0.98 H new ATOM 0 H3' DA B 19 -4.679 15.125 -8.324 1.00 1.10 H new ATOM 0 H2' DA B 19 -2.548 15.660 -7.344 1.00 0.97 H new ATOM 0 H2'' DA B 19 -3.593 16.866 -6.619 1.00 0.97 H new ATOM 0 H1' DA B 19 -3.752 15.706 -4.572 1.00 0.75 H new ATOM 0 H8 DA B 19 -0.667 15.291 -6.684 1.00 0.62 H new ATOM 0 H61 DA B 19 2.487 15.193 -1.410 1.00 0.56 H new ATOM 0 H62 DA B 19 2.606 15.231 -3.173 1.00 0.56 H new ATOM 0 H2 DA B 19 -1.898 15.107 -0.428 1.00 0.43 H new ATOM 642 P DG B 20 -6.076 17.271 -6.823 1.00 1.32 P ATOM 643 OP1 DG B 20 -7.516 17.516 -7.060 1.00 1.52 O ATOM 644 OP2 DG B 20 -5.069 17.872 -7.728 1.00 1.36 O ATOM 645 O5' DG B 20 -5.729 17.719 -5.314 1.00 1.15 O ATOM 646 C5' DG B 20 -6.563 17.284 -4.237 1.00 1.12 C ATOM 647 C4' DG B 20 -6.591 18.279 -3.075 1.00 1.12 C ATOM 648 O4' DG B 20 -5.333 18.234 -2.371 1.00 1.00 O ATOM 649 C3' DG B 20 -6.745 19.702 -3.580 1.00 1.25 C ATOM 650 O3' DG B 20 -7.411 20.521 -2.612 1.00 1.31 O ATOM 651 C2' DG B 20 -5.331 20.143 -3.774 1.00 1.21 C ATOM 652 C1' DG B 20 -4.588 19.433 -2.666 1.00 1.06 C ATOM 653 N9 DG B 20 -3.178 19.123 -3.002 1.00 1.01 N ATOM 654 C8 DG B 20 -2.566 18.961 -4.204 1.00 1.03 C ATOM 655 N7 DG B 20 -1.305 18.686 -4.201 1.00 1.00 N ATOM 656 C5 DG B 20 -1.022 18.658 -2.835 1.00 0.94 C ATOM 657 C6 DG B 20 0.204 18.408 -2.167 1.00 0.91 C ATOM 658 O6 DG B 20 1.302 18.161 -2.657 1.00 0.93 O ATOM 659 N1 DG B 20 0.056 18.473 -0.788 1.00 0.88 N ATOM 660 C2 DG B 20 -1.124 18.744 -0.127 1.00 0.87 C ATOM 661 N2 DG B 20 -1.068 18.761 1.205 1.00 0.84 N ATOM 662 N3 DG B 20 -2.282 18.981 -0.748 1.00 0.91 N ATOM 663 C4 DG B 20 -2.162 18.923 -2.095 1.00 0.94 C ATOM 0 H5' DG B 20 -6.209 16.319 -3.875 1.00 1.12 H new ATOM 0 H5'' DG B 20 -7.578 17.133 -4.606 1.00 1.12 H new ATOM 0 H4' DG B 20 -7.429 18.007 -2.433 1.00 1.12 H new ATOM 0 H3' DG B 20 -7.346 19.775 -4.486 1.00 1.25 H new ATOM 0 H2' DG B 20 -4.953 19.860 -4.757 1.00 1.21 H new ATOM 0 H2'' DG B 20 -5.233 21.226 -3.694 1.00 1.21 H new ATOM 0 HO3' DG B 20 -7.497 21.433 -2.959 1.00 1.31 H new ATOM 0 H1' DG B 20 -4.522 20.089 -1.798 1.00 1.06 H new ATOM 0 H8 DG B 20 -3.115 19.059 -5.129 1.00 1.03 H new ATOM 0 H1 DG B 20 0.886 18.307 -0.218 1.00 0.88 H new ATOM 0 H21 DG B 20 -1.909 18.956 1.748 1.00 0.84 H new ATOM 0 H22 DG B 20 -0.184 18.579 1.681 1.00 0.84 H new TER 676 DG B 20 CONECT 101 130 CONECT 125 126 166 171 CONECT 126 125 127 172 173 CONECT 127 126 128 174 175 CONECT 128 127 129 171 CONECT 129 128 CONECT 130 101 131 132 133 CONECT 131 130 CONECT 132 130 CONECT 133 130 134 CONECT 134 133 135 176 177 CONECT 135 134 136 151 178 CONECT 136 135 137 CONECT 137 136 138 150 179 CONECT 138 137 139 180 CONECT 139 138 140 146 CONECT 140 139 141 CONECT 141 140 142 143 CONECT 142 141 181 182 CONECT 143 141 144 183 CONECT 144 143 145 146 CONECT 145 144 CONECT 146 139 144 147 CONECT 147 146 148 153 CONECT 148 147 149 184 CONECT 149 148 CONECT 150 137 151 185 186 CONECT 151 135 150 152 187 CONECT 152 151 197 CONECT 153 147 154 158 188 CONECT 154 153 155 156 189 CONECT 155 154 190 CONECT 156 154 157 159 191 CONECT 157 156 161 167 CONECT 158 153 159 CONECT 159 156 158 160 192 CONECT 160 159 161 CONECT 161 157 160 162 CONECT 162 161 163 193 CONECT 163 162 164 166 CONECT 164 163 165 CONECT 165 164 194 195 196 CONECT 166 125 163 167 CONECT 167 157 166 168 CONECT 168 167 169 CONECT 169 168 170 171 CONECT 170 169 CONECT 171 125 128 169 CONECT 172 126 CONECT 173 126 CONECT 174 127 CONECT 175 127 CONECT 176 134 CONECT 177 134 CONECT 178 135 CONECT 179 137 CONECT 180 138 CONECT 181 142 CONECT 182 142 CONECT 183 143 CONECT 184 148 CONECT 185 150 CONECT 186 150 CONECT 187 151 CONECT 188 153 CONECT 189 154 CONECT 190 155 CONECT 191 156 CONECT 192 159 CONECT 193 162 CONECT 194 165 CONECT 195 165 CONECT 196 165 CONECT 197 152 END