HEADER DNA 01-SEP-95 1DXA TITLE BENZO[A]PYRENE DIOL EPOXIDE ADDUCT OF DA IN DUPLEX DNA COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA (5'-D(*GP*GP*TP*CP*AP*CP*GP*AP*G)-3'); COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 OTHER_DETAILS: BENZO[A]PYRENE DIOL EPOXIDE ADDUCT OF DA; COMPND 6 MOL_ID: 2; COMPND 7 MOLECULE: DNA (5'-D(*CP*TP*CP*GP*GP*GP*AP*CP*C)-3'); COMPND 8 CHAIN: B; COMPND 9 ENGINEERED: YES; COMPND 10 OTHER_DETAILS: BENZO[A]PYRENE DIOL EPOXIDE ADDUCT OF DA SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: CHEMICALLY SYNTHESIZED; SOURCE 4 MOL_ID: 2; SOURCE 5 SYNTHETIC: YES; SOURCE 6 OTHER_DETAILS: CHEMICALLY SYNTHESIZED KEYWDS NMR, DOUBLE HELIX, BENZO[A]PYRENE DIOL EPOXIDE ADDUCT, KEYWDS 2 DUPLEX DNA, NON-WATSON-CRICK BASE PAIR EXPDTA SOLUTION NMR AUTHOR H.J.C.YEH,J.M.SAYER,X.LIU,A.S.ALTIERI,R.A.BYRD,M.K.LAKSHMAN, AUTHOR 2 H.YAGI,E.J.SCHURTER,D.G.GORENSTEIN,D.M.JERINA REVDAT 3 24-FEB-09 1DXA 1 VERSN REVDAT 2 01-APR-03 1DXA 1 JRNL REVDAT 1 07-DEC-95 1DXA 0 JRNL AUTH H.J.YEH,J.M.SAYER,X.LIU,A.S.ALTIERI,R.A.BYRD, JRNL AUTH 2 M.K.LAKSHMAN,H.YAGI,E.J.SCHURTER,D.G.GORENSTEIN, JRNL AUTH 3 D.M.JERINA JRNL TITL NMR SOLUTION STRUCTURE OF A NONANUCLEOTIDE DUPLEX JRNL TITL 2 WITH A DG MISMATCH OPPOSITE A 10S ADDUCT DERIVED JRNL TITL 3 FROM TRANS ADDITION OF A DEOXYADENOSINE N6-AMINO JRNL TITL 4 GROUP TO (+)-(7R,8S,9S,10R)-7,8-DIHYDROXY-9,10- JRNL TITL 5 EPOXY-7,8,9,10- TETRAHYDROBENZO[A]PYRENE: AN JRNL TITL 6 UNUSUAL SYN GLYCOSIDIC TORSION ANGLE AT THE JRNL TITL 7 MODIFIED DA JRNL REF BIOCHEMISTRY V. 34 13570 1995 JRNL REFN ISSN 0006-2960 JRNL PMID 7577946 JRNL DOI 10.1021/BI00041A037 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : NMRCHITECT REMARK 3 AUTHORS : BIOSYM REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: TWO STARTING STRUCTURES WITH REMARK 3 BENZO[A]PYRENE MOIETY INSIDE THE DUPLEX AND OUTSIDE THE REMARK 3 DUPLEX, RESPECTIVELY, WERE GENERATED BY CONNECTING A STANDARD REMARK 3 B-TYPE DNA FRAGMENT WITH A MANUALLY BUILD (+)-DE2-[BAP] REMARK 3 FRAGMENT. SOLUTION STRUCTURES FOR THE DUPLEX WERE GENERATED BY REMARK 3 RESTRAINTED MOLECULAR DYNAMICS AND RESTRAINTED ENERGY REMARK 3 MINIMIZATION USING A SET OF INTER-PROTON DISTANCE RESTRAINTS REMARK 3 AND DIHEDRAL ANGLE RESTRAINTS WHICH WERE DERIVED FROM NMR REMARK 3 EXPERIMENTS. SOME OF STRUCTURES WITH MINIMUM RESTRAINT REMARK 3 VIOLATIONS WERE FURTHER REFINED BY THE ITERATIVE RELAXATION REMARK 3 MATRIX ANALYSIS (IRMA) METHOD OVER 111 WELL-SEPARATED CROSS REMARK 3 PEAKS IN NOESY SPECTRA RECORDED IN D2O AND MIXING TIMES OF 50, REMARK 3 80, 120, 160 AND 200 MS. THE STRUCTURE PRESENTED HERE WAS ONE REMARK 3 OF THE FIVE REFINED AND MINIMIZED STRUCTURES. THE FOLLOWING REMARK 3 RESTRAINTS WERE APPLIED IN THE MOLECULAR DYNAMICS/ENERGY REMARK 3 MINIMIZATION CALCULATIONS. THESE WERE; (1) INTER-PROTON REMARK 3 DISTANCE RESTRAINTS DIRECTLY DERIVED FROM NOE DATA; (2) REMARK 3 BACKBONE DIHEDRAL ANGLE RESTRAINTS FOR A STANDARD B-DNA EXCEPT REMARK 3 THOSE IMMEDIATELY ADJACENT TO THE MODIFIED RESIDUE; (3) REMARK 3 DIHEDRAL ANGLE RESTRAINTS FOR ALL GLYCOSIDIC BONDS, EXCEPT REMARK 3 MODIFIED DA RESIDUE IN THE CENTER; (4) HYDROGEN BOND REMARK 3 RESTRAINTS (BOTH DISTANCE AND PLANARITY ) FOR ALL BASE-PAIRS REMARK 3 EXCEPT CENTRAL DA-DG MISMATCH PAIR. THESE RESTRAINTS WERE REMARK 3 JUSTIFIED BY THE FACT THAT THE MODIFIED DUPLEX DISPLAYED REMARK 3 CHARACTERISTIC NMR SPECTRA OF A B-DNA EXCEPT NEAR LESION SITE, REMARK 3 WHERE THE BAP MOIETY WAS INTERCALATED. THE MODIFIED DA RESIDUE REMARK 3 DISPLAYED C3'-ENDO SUGAR RING AND A SYN GLYCOSIDIC BOND. IT REMARK 3 ALSO FORMED A NON-WATSON-CRICK BASE PAIR WITH THE OPPOSITE DG. REMARK 4 REMARK 4 1DXA 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) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : ENERGY MINIMIZATION, REMARK 210 MOLECULAR DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: (+)-(7R,8S,9S,10R)-7,8-DIHYDROXY-9,10-EPOXY-7,8,9,10- REMARK 210 TETRAHYDROBENZO[A]PYRENE IS COVALENTLY BONDED TO THE EXOCYCLIC REMARK 210 N6 AMINO GROUP OF DEOXYADENOSINE IN THE CENTER OF THE DUPLEX REMARK 210 THROUGH TRANS ADDITION AT THE C10 OF THE EPOXIDE. 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 DG A 1 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES REMARK 500 DG A 2 O4' - C1' - N9 ANGL. DEV. = 4.2 DEGREES REMARK 500 DA A 5 C3' - C2' - C1' ANGL. DEV. = -6.0 DEGREES REMARK 500 DA A 5 O4' - C1' - N9 ANGL. DEV. = 4.2 DEGREES REMARK 500 DC A 6 O4' - C1' - N1 ANGL. DEV. = 4.3 DEGREES REMARK 500 DA A 8 O4' - C1' - N9 ANGL. DEV. = 2.1 DEGREES REMARK 500 DG A 9 O4' - C1' - N9 ANGL. DEV. = 3.9 DEGREES REMARK 500 DC B 1 C3' - C2' - C1' ANGL. DEV. = -5.1 DEGREES REMARK 500 DC B 1 O4' - C1' - N1 ANGL. DEV. = 5.2 DEGREES REMARK 500 DC B 3 O4' - C1' - N1 ANGL. DEV. = 2.9 DEGREES REMARK 500 DG B 4 O4' - C1' - N9 ANGL. DEV. = 1.9 DEGREES REMARK 500 DG B 5 O4' - C1' - N9 ANGL. DEV. = 3.4 DEGREES REMARK 500 DG B 6 O4' - C1' - N9 ANGL. DEV. = 3.4 DEGREES REMARK 500 DA B 7 O4' - C1' - N9 ANGL. DEV. = 2.9 DEGREES REMARK 500 DC B 8 O4' - C1' - N1 ANGL. DEV. = 2.4 DEGREES REMARK 500 DC B 9 O4' - C1' - N1 ANGL. DEV. = 2.3 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 DG A 2 0.10 SIDE_CHAIN REMARK 500 DT A 3 0.13 SIDE_CHAIN REMARK 500 DA A 5 0.08 SIDE_CHAIN REMARK 500 DA A 8 0.07 SIDE_CHAIN REMARK 500 DT B 2 0.12 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE BAP A 10 DBREF 1DXA A 1 9 PDB 1DXA 1DXA 1 9 DBREF 1DXA B 1 9 PDB 1DXA 1DXA 1 9 SEQRES 1 A 9 DG DG DT DC DA DC DG DA DG SEQRES 1 B 9 DC DT DC DG DG DG DA DC DC HET BAP A 10 38 HETNAM BAP 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE FORMUL 3 BAP C20 H16 O3 LINK N6 DA A 5 C4' BAP A 10 1555 1555 1.47 SITE 1 AC1 4 DA A 5 DC A 6 DG B 4 DG B 5 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 ATOM 1 O5' DG A 1 5.411 -9.488 2.240 1.00 0.00 O ATOM 2 C5' DG A 1 6.641 -9.427 1.549 1.00 0.00 C ATOM 3 C4' DG A 1 7.160 -7.987 1.492 1.00 0.00 C ATOM 4 O4' DG A 1 6.219 -7.172 0.808 1.00 0.00 O ATOM 5 C3' DG A 1 7.375 -7.379 2.887 1.00 0.00 C ATOM 6 O3' DG A 1 8.634 -6.724 2.909 1.00 0.00 O ATOM 7 C2' DG A 1 6.209 -6.400 2.989 1.00 0.00 C ATOM 8 C1' DG A 1 6.075 -5.968 1.533 1.00 0.00 C ATOM 9 N9 DG A 1 4.759 -5.347 1.264 1.00 0.00 N ATOM 10 C8 DG A 1 3.516 -5.929 1.303 1.00 0.00 C ATOM 11 N7 DG A 1 2.540 -5.127 0.983 1.00 0.00 N ATOM 12 C5 DG A 1 3.174 -3.919 0.716 1.00 0.00 C ATOM 13 C6 DG A 1 2.627 -2.667 0.303 1.00 0.00 C ATOM 14 O6 DG A 1 1.450 -2.393 0.078 1.00 0.00 O ATOM 15 N1 DG A 1 3.604 -1.686 0.144 1.00 0.00 N ATOM 16 C2 DG A 1 4.958 -1.894 0.342 1.00 0.00 C ATOM 17 N2 DG A 1 5.770 -0.842 0.201 1.00 0.00 N ATOM 18 N3 DG A 1 5.474 -3.075 0.715 1.00 0.00 N ATOM 19 C4 DG A 1 4.533 -4.044 0.887 1.00 0.00 C ATOM 20 H5' DG A 1 6.497 -9.801 0.535 1.00 0.00 H ATOM 21 H5'' DG A 1 7.369 -10.059 2.059 1.00 0.00 H ATOM 22 H4' DG A 1 8.101 -7.982 0.939 1.00 0.00 H ATOM 23 H3' DG A 1 7.332 -8.136 3.672 1.00 0.00 H ATOM 24 H2' DG A 1 5.316 -6.939 3.306 1.00 0.00 H ATOM 25 H2'' DG A 1 6.393 -5.570 3.670 1.00 0.00 H ATOM 26 H1' DG A 1 6.891 -5.296 1.260 1.00 0.00 H ATOM 27 H8 DG A 1 3.359 -6.964 1.567 1.00 0.00 H ATOM 28 H1 DG A 1 3.276 -0.764 -0.118 1.00 0.00 H ATOM 29 H21 DG A 1 5.391 0.067 -0.029 1.00 0.00 H ATOM 30 H22 DG A 1 6.758 -0.951 0.381 1.00 0.00 H ATOM 31 HO5' DG A 1 4.789 -8.903 1.800 1.00 0.00 H ATOM 32 P DG A 2 9.205 -5.977 4.226 1.00 0.00 P ATOM 33 OP1 DG A 2 10.671 -6.180 4.264 1.00 0.00 O ATOM 34 OP2 DG A 2 8.380 -6.374 5.388 1.00 0.00 O ATOM 35 O5' DG A 2 8.916 -4.419 3.913 1.00 0.00 O ATOM 36 C5' DG A 2 9.658 -3.721 2.930 1.00 0.00 C ATOM 37 C4' DG A 2 9.298 -2.231 2.878 1.00 0.00 C ATOM 38 O4' DG A 2 7.940 -2.052 2.498 1.00 0.00 O ATOM 39 C3' DG A 2 9.442 -1.522 4.232 1.00 0.00 C ATOM 40 O3' DG A 2 10.033 -0.243 4.057 1.00 0.00 O ATOM 41 C2' DG A 2 8.033 -1.513 4.760 1.00 0.00 C ATOM 42 C1' DG A 2 7.323 -1.227 3.474 1.00 0.00 C ATOM 43 N9 DG A 2 5.877 -1.491 3.605 1.00 0.00 N ATOM 44 C8 DG A 2 5.280 -2.653 4.004 1.00 0.00 C ATOM 45 N7 DG A 2 3.981 -2.654 3.901 1.00 0.00 N ATOM 46 C5 DG A 2 3.690 -1.371 3.452 1.00 0.00 C ATOM 47 C6 DG A 2 2.433 -0.766 3.158 1.00 0.00 C ATOM 48 O6 DG A 2 1.329 -1.303 3.127 1.00 0.00 O ATOM 49 N1 DG A 2 2.552 0.592 2.873 1.00 0.00 N ATOM 50 C2 DG A 2 3.752 1.280 2.840 1.00 0.00 C ATOM 51 N2 DG A 2 3.700 2.601 2.644 1.00 0.00 N ATOM 52 N3 DG A 2 4.942 0.692 3.031 1.00 0.00 N ATOM 53 C4 DG A 2 4.842 -0.627 3.343 1.00 0.00 C ATOM 54 H5' DG A 2 9.474 -4.166 1.951 1.00 0.00 H ATOM 55 H5'' DG A 2 10.722 -3.799 3.156 1.00 0.00 H ATOM 56 H4' DG A 2 9.966 -1.781 2.137 1.00 0.00 H ATOM 57 H3' DG A 2 9.937 -2.085 4.981 1.00 0.00 H ATOM 58 H2' DG A 2 7.796 -2.502 5.147 1.00 0.00 H ATOM 59 H2'' DG A 2 7.878 -0.737 5.494 1.00 0.00 H ATOM 60 H1' DG A 2 7.586 -0.192 3.331 1.00 0.00 H ATOM 61 H8 DG A 2 5.861 -3.485 4.363 1.00 0.00 H ATOM 62 H1 DG A 2 1.689 1.090 2.695 1.00 0.00 H ATOM 63 H21 DG A 2 2.810 3.066 2.521 1.00 0.00 H ATOM 64 H22 DG A 2 4.556 3.136 2.642 1.00 0.00 H ATOM 65 P DT A 3 10.354 0.754 5.290 1.00 0.00 P ATOM 66 OP1 DT A 3 11.533 1.569 4.923 1.00 0.00 O ATOM 67 OP2 DT A 3 10.367 -0.030 6.546 1.00 0.00 O ATOM 68 O5' DT A 3 9.062 1.718 5.314 1.00 0.00 O ATOM 69 C5' DT A 3 8.799 2.606 4.244 1.00 0.00 C ATOM 70 C4' DT A 3 7.572 3.467 4.544 1.00 0.00 C ATOM 71 O4' DT A 3 6.431 2.652 4.722 1.00 0.00 O ATOM 72 C3' DT A 3 7.734 4.315 5.812 1.00 0.00 C ATOM 73 O3' DT A 3 7.351 5.639 5.464 1.00 0.00 O ATOM 74 C2' DT A 3 6.753 3.657 6.795 1.00 0.00 C ATOM 75 C1' DT A 3 5.690 3.139 5.823 1.00 0.00 C ATOM 76 N1 DT A 3 4.832 2.026 6.314 1.00 0.00 N ATOM 77 C2 DT A 3 3.463 2.095 6.056 1.00 0.00 C ATOM 78 O2 DT A 3 2.883 3.131 5.741 1.00 0.00 O ATOM 79 N3 DT A 3 2.761 0.904 6.149 1.00 0.00 N ATOM 80 C4 DT A 3 3.278 -0.326 6.519 1.00 0.00 C ATOM 81 O4 DT A 3 2.556 -1.321 6.502 1.00 0.00 O ATOM 82 C5 DT A 3 4.681 -0.291 6.893 1.00 0.00 C ATOM 83 C7 DT A 3 5.347 -1.529 7.466 1.00 0.00 C ATOM 84 C6 DT A 3 5.396 0.857 6.771 1.00 0.00 C ATOM 85 H5' DT A 3 8.622 2.041 3.329 1.00 0.00 H ATOM 86 H5'' DT A 3 9.654 3.266 4.090 1.00 0.00 H ATOM 87 H4' DT A 3 7.399 4.116 3.683 1.00 0.00 H ATOM 88 H3' DT A 3 8.767 4.309 6.168 1.00 0.00 H ATOM 89 H2' DT A 3 7.204 2.844 7.364 1.00 0.00 H ATOM 90 H2'' DT A 3 6.375 4.370 7.514 1.00 0.00 H ATOM 91 H1' DT A 3 5.091 3.989 5.494 1.00 0.00 H ATOM 92 H3 DT A 3 1.776 0.946 5.927 1.00 0.00 H ATOM 93 H71 DT A 3 5.230 -1.530 8.550 1.00 0.00 H ATOM 94 H72 DT A 3 4.890 -2.430 7.058 1.00 0.00 H ATOM 95 H73 DT A 3 6.411 -1.539 7.232 1.00 0.00 H ATOM 96 H6 DT A 3 6.443 0.846 7.023 1.00 0.00 H ATOM 97 P DC A 4 7.555 6.898 6.453 1.00 0.00 P ATOM 98 OP1 DC A 4 7.440 8.136 5.650 1.00 0.00 O ATOM 99 OP2 DC A 4 8.766 6.664 7.271 1.00 0.00 O ATOM 100 O5' DC A 4 6.268 6.795 7.413 1.00 0.00 O ATOM 101 C5' DC A 4 4.996 7.271 7.019 1.00 0.00 C ATOM 102 C4' DC A 4 3.922 6.862 8.036 1.00 0.00 C ATOM 103 O4' DC A 4 3.628 5.486 7.948 1.00 0.00 O ATOM 104 C3' DC A 4 4.304 7.127 9.503 1.00 0.00 C ATOM 105 O3' DC A 4 3.592 8.281 9.925 1.00 0.00 O ATOM 106 C2' DC A 4 3.862 5.835 10.236 1.00 0.00 C ATOM 107 C1' DC A 4 2.999 5.151 9.164 1.00 0.00 C ATOM 108 N1 DC A 4 2.921 3.674 9.282 1.00 0.00 N ATOM 109 C2 DC A 4 1.708 3.031 9.029 1.00 0.00 C ATOM 110 O2 DC A 4 0.710 3.658 8.683 1.00 0.00 O ATOM 111 N3 DC A 4 1.653 1.676 9.160 1.00 0.00 N ATOM 112 C4 DC A 4 2.739 0.969 9.505 1.00 0.00 C ATOM 113 N4 DC A 4 2.639 -0.363 9.543 1.00 0.00 N ATOM 114 C5 DC A 4 4.022 1.601 9.652 1.00 0.00 C ATOM 115 C6 DC A 4 4.059 2.948 9.513 1.00 0.00 C ATOM 116 H5' DC A 4 4.728 6.870 6.040 1.00 0.00 H ATOM 117 H5'' DC A 4 5.029 8.360 6.961 1.00 0.00 H ATOM 118 H4' DC A 4 3.002 7.398 7.797 1.00 0.00 H ATOM 119 H3' DC A 4 5.391 7.287 9.552 1.00 0.00 H ATOM 120 H2' DC A 4 4.749 5.259 10.512 1.00 0.00 H ATOM 121 H2'' DC A 4 3.275 5.958 11.151 1.00 0.00 H ATOM 122 H1' DC A 4 2.003 5.598 9.206 1.00 0.00 H ATOM 123 H41 DC A 4 1.736 -0.794 9.394 1.00 0.00 H ATOM 124 H42 DC A 4 3.446 -0.932 9.747 1.00 0.00 H ATOM 125 H5 DC A 4 4.937 1.058 9.838 1.00 0.00 H ATOM 126 H6 DC A 4 4.994 3.490 9.546 1.00 0.00 H ATOM 127 P DA A 5 4.001 9.129 11.236 1.00 0.00 P ATOM 128 OP1 DA A 5 3.254 10.407 11.201 1.00 0.00 O ATOM 129 OP2 DA A 5 5.478 9.152 11.334 1.00 0.00 O ATOM 130 O5' DA A 5 3.437 8.241 12.458 1.00 0.00 O ATOM 131 C5' DA A 5 2.206 8.518 13.105 1.00 0.00 C ATOM 132 C4' DA A 5 0.968 8.363 12.203 1.00 0.00 C ATOM 133 O4' DA A 5 1.089 7.310 11.264 1.00 0.00 O ATOM 134 C3' DA A 5 -0.301 8.032 12.958 1.00 0.00 C ATOM 135 O3' DA A 5 -0.905 9.104 13.657 1.00 0.00 O ATOM 136 C2' DA A 5 -1.207 7.474 11.888 1.00 0.00 C ATOM 137 C1' DA A 5 -0.151 6.625 11.199 1.00 0.00 C ATOM 138 N9 DA A 5 -0.052 5.226 11.676 1.00 0.00 N ATOM 139 C8 DA A 5 -0.763 4.157 11.210 1.00 0.00 C ATOM 140 N7 DA A 5 -0.323 2.990 11.600 1.00 0.00 N ATOM 141 C5 DA A 5 0.769 3.317 12.400 1.00 0.00 C ATOM 142 C6 DA A 5 1.709 2.551 13.125 1.00 0.00 C ATOM 143 N6 DA A 5 1.698 1.213 13.155 1.00 0.00 N ATOM 144 N1 DA A 5 2.622 3.198 13.877 1.00 0.00 N ATOM 145 C2 DA A 5 2.628 4.524 13.885 1.00 0.00 C ATOM 146 N3 DA A 5 1.826 5.350 13.233 1.00 0.00 N ATOM 147 C4 DA A 5 0.905 4.680 12.494 1.00 0.00 C ATOM 148 H5' DA A 5 2.229 9.529 13.512 1.00 0.00 H ATOM 149 H5'' DA A 5 2.139 7.824 13.941 1.00 0.00 H ATOM 150 H4' DA A 5 0.747 9.277 11.692 1.00 0.00 H ATOM 151 H3' DA A 5 -0.024 7.178 13.521 1.00 0.00 H ATOM 152 H2' DA A 5 -2.069 6.905 12.251 1.00 0.00 H ATOM 153 H2'' DA A 5 -1.533 8.273 11.220 1.00 0.00 H ATOM 154 H1' DA A 5 -0.476 6.556 10.193 1.00 0.00 H ATOM 155 H8 DA A 5 -1.579 4.315 10.527 1.00 0.00 H ATOM 156 H61 DA A 5 1.085 0.698 12.538 1.00 0.00 H ATOM 157 H2 DA A 5 3.372 4.994 14.502 1.00 0.00 H ATOM 158 P DC A 6 -0.724 9.315 15.249 1.00 0.00 P ATOM 159 OP1 DC A 6 -1.492 10.518 15.639 1.00 0.00 O ATOM 160 OP2 DC A 6 0.711 9.223 15.593 1.00 0.00 O ATOM 161 O5' DC A 6 -1.463 8.025 15.871 1.00 0.00 O ATOM 162 C5' DC A 6 -2.834 7.777 15.634 1.00 0.00 C ATOM 163 C4' DC A 6 -3.338 6.672 16.565 1.00 0.00 C ATOM 164 O4' DC A 6 -2.652 5.447 16.323 1.00 0.00 O ATOM 165 C3' DC A 6 -3.138 7.035 18.048 1.00 0.00 C ATOM 166 O3' DC A 6 -4.377 6.826 18.707 1.00 0.00 O ATOM 167 C2' DC A 6 -1.997 6.087 18.415 1.00 0.00 C ATOM 168 C1' DC A 6 -2.368 4.869 17.582 1.00 0.00 C ATOM 169 N1 DC A 6 -1.224 3.908 17.527 1.00 0.00 N ATOM 170 C2 DC A 6 -1.406 2.627 18.060 1.00 0.00 C ATOM 171 O2 DC A 6 -2.506 2.248 18.457 1.00 0.00 O ATOM 172 N3 DC A 6 -0.337 1.782 18.114 1.00 0.00 N ATOM 173 C4 DC A 6 0.870 2.158 17.669 1.00 0.00 C ATOM 174 N4 DC A 6 1.878 1.286 17.751 1.00 0.00 N ATOM 175 C5 DC A 6 1.079 3.453 17.081 1.00 0.00 C ATOM 176 C6 DC A 6 0.012 4.286 17.035 1.00 0.00 C ATOM 177 H5' DC A 6 -2.983 7.477 14.597 1.00 0.00 H ATOM 178 H5'' DC A 6 -3.417 8.678 15.829 1.00 0.00 H ATOM 179 H4' DC A 6 -4.399 6.519 16.362 1.00 0.00 H ATOM 180 H3' DC A 6 -2.866 8.076 18.220 1.00 0.00 H ATOM 181 H2' DC A 6 -1.044 6.493 18.067 1.00 0.00 H ATOM 182 H2'' DC A 6 -1.895 5.870 19.465 1.00 0.00 H ATOM 183 H1' DC A 6 -3.300 4.439 17.986 1.00 0.00 H ATOM 184 H41 DC A 6 1.700 0.360 18.119 1.00 0.00 H ATOM 185 H42 DC A 6 2.797 1.537 17.420 1.00 0.00 H ATOM 186 H5 DC A 6 2.027 3.784 16.674 1.00 0.00 H ATOM 187 H6 DC A 6 0.179 5.278 16.626 1.00 0.00 H ATOM 188 P DG A 7 -4.630 7.200 20.258 1.00 0.00 P ATOM 189 OP1 DG A 7 -5.692 8.229 20.319 1.00 0.00 O ATOM 190 OP2 DG A 7 -3.326 7.452 20.912 1.00 0.00 O ATOM 191 O5' DG A 7 -5.217 5.822 20.847 1.00 0.00 O ATOM 192 C5' DG A 7 -6.509 5.378 20.475 1.00 0.00 C ATOM 193 C4' DG A 7 -6.902 4.086 21.197 1.00 0.00 C ATOM 194 O4' DG A 7 -5.927 3.090 20.931 1.00 0.00 O ATOM 195 C3' DG A 7 -6.996 4.246 22.721 1.00 0.00 C ATOM 196 O3' DG A 7 -8.028 3.389 23.182 1.00 0.00 O ATOM 197 C2' DG A 7 -5.603 3.802 23.155 1.00 0.00 C ATOM 198 C1' DG A 7 -5.338 2.678 22.152 1.00 0.00 C ATOM 199 N9 DG A 7 -3.893 2.438 21.956 1.00 0.00 N ATOM 200 C8 DG A 7 -2.893 3.349 21.738 1.00 0.00 C ATOM 201 N7 DG A 7 -1.730 2.814 21.483 1.00 0.00 N ATOM 202 C5 DG A 7 -1.972 1.444 21.541 1.00 0.00 C ATOM 203 C6 DG A 7 -1.094 0.335 21.329 1.00 0.00 C ATOM 204 O6 DG A 7 0.091 0.353 21.001 1.00 0.00 O ATOM 205 N1 DG A 7 -1.729 -0.888 21.542 1.00 0.00 N ATOM 206 C2 DG A 7 -3.065 -1.031 21.881 1.00 0.00 C ATOM 207 N2 DG A 7 -3.547 -2.267 22.037 1.00 0.00 N ATOM 208 N3 DG A 7 -3.893 0.007 22.047 1.00 0.00 N ATOM 209 C4 DG A 7 -3.288 1.210 21.865 1.00 0.00 C ATOM 210 H5' DG A 7 -6.528 5.195 19.400 1.00 0.00 H ATOM 211 H5'' DG A 7 -7.250 6.142 20.712 1.00 0.00 H ATOM 212 H4' DG A 7 -7.870 3.777 20.795 1.00 0.00 H ATOM 213 H3' DG A 7 -7.204 5.277 23.014 1.00 0.00 H ATOM 214 H2' DG A 7 -4.922 4.637 23.010 1.00 0.00 H ATOM 215 H2'' DG A 7 -5.520 3.483 24.191 1.00 0.00 H ATOM 216 H1' DG A 7 -5.837 1.760 22.473 1.00 0.00 H ATOM 217 H8 DG A 7 -3.074 4.414 21.778 1.00 0.00 H ATOM 218 H1 DG A 7 -1.155 -1.716 21.437 1.00 0.00 H ATOM 219 H21 DG A 7 -2.946 -3.069 21.910 1.00 0.00 H ATOM 220 H22 DG A 7 -4.515 -2.393 22.291 1.00 0.00 H ATOM 221 P DA A 8 -8.381 3.194 24.746 1.00 0.00 P ATOM 222 OP1 DA A 8 -9.847 3.037 24.871 1.00 0.00 O ATOM 223 OP2 DA A 8 -7.685 4.239 25.529 1.00 0.00 O ATOM 224 O5' DA A 8 -7.691 1.772 25.068 1.00 0.00 O ATOM 225 C5' DA A 8 -8.187 0.576 24.495 1.00 0.00 C ATOM 226 C4' DA A 8 -7.399 -0.637 24.997 1.00 0.00 C ATOM 227 O4' DA A 8 -6.048 -0.539 24.575 1.00 0.00 O ATOM 228 C3' DA A 8 -7.408 -0.739 26.530 1.00 0.00 C ATOM 229 O3' DA A 8 -7.625 -2.095 26.895 1.00 0.00 O ATOM 230 C2' DA A 8 -6.001 -0.266 26.878 1.00 0.00 C ATOM 231 C1' DA A 8 -5.217 -0.790 25.690 1.00 0.00 C ATOM 232 N9 DA A 8 -3.909 -0.126 25.516 1.00 0.00 N ATOM 233 C8 DA A 8 -3.627 1.215 25.514 1.00 0.00 C ATOM 234 N7 DA A 8 -2.410 1.510 25.145 1.00 0.00 N ATOM 235 C5 DA A 8 -1.830 0.267 24.919 1.00 0.00 C ATOM 236 C6 DA A 8 -0.548 -0.135 24.490 1.00 0.00 C ATOM 237 N6 DA A 8 0.412 0.728 24.136 1.00 0.00 N ATOM 238 N1 DA A 8 -0.289 -1.454 24.406 1.00 0.00 N ATOM 239 C2 DA A 8 -1.245 -2.327 24.716 1.00 0.00 C ATOM 240 N3 DA A 8 -2.491 -2.077 25.105 1.00 0.00 N ATOM 241 C4 DA A 8 -2.725 -0.740 25.187 1.00 0.00 C ATOM 242 H5' DA A 8 -8.110 0.625 23.408 1.00 0.00 H ATOM 243 H5'' DA A 8 -9.235 0.443 24.769 1.00 0.00 H ATOM 244 H4' DA A 8 -7.836 -1.538 24.565 1.00 0.00 H ATOM 245 H3' DA A 8 -8.170 -0.102 26.982 1.00 0.00 H ATOM 246 H2' DA A 8 -5.955 0.818 26.957 1.00 0.00 H ATOM 247 H2'' DA A 8 -5.636 -0.705 27.788 1.00 0.00 H ATOM 248 H1' DA A 8 -5.096 -1.862 25.836 1.00 0.00 H ATOM 249 H8 DA A 8 -4.362 1.955 25.787 1.00 0.00 H ATOM 250 H61 DA A 8 1.308 0.395 23.807 1.00 0.00 H ATOM 251 H62 DA A 8 0.225 1.720 24.182 1.00 0.00 H ATOM 252 H2 DA A 8 -0.982 -3.370 24.630 1.00 0.00 H ATOM 253 P DG A 9 -7.614 -2.600 28.433 1.00 0.00 P ATOM 254 OP1 DG A 9 -8.461 -3.810 28.526 1.00 0.00 O ATOM 255 OP2 DG A 9 -7.892 -1.443 29.312 1.00 0.00 O ATOM 256 O5' DG A 9 -6.075 -3.043 28.659 1.00 0.00 O ATOM 257 C5' DG A 9 -5.554 -4.212 28.056 1.00 0.00 C ATOM 258 C4' DG A 9 -4.122 -4.515 28.515 1.00 0.00 C ATOM 259 O4' DG A 9 -3.187 -3.608 27.934 1.00 0.00 O ATOM 260 C3' DG A 9 -3.957 -4.395 30.039 1.00 0.00 C ATOM 261 O3' DG A 9 -3.152 -5.450 30.525 1.00 0.00 O ATOM 262 C2' DG A 9 -3.213 -3.071 30.197 1.00 0.00 C ATOM 263 C1' DG A 9 -2.337 -3.099 28.954 1.00 0.00 C ATOM 264 N9 DG A 9 -1.733 -1.797 28.581 1.00 0.00 N ATOM 265 C8 DG A 9 -2.257 -0.528 28.647 1.00 0.00 C ATOM 266 N7 DG A 9 -1.453 0.407 28.227 1.00 0.00 N ATOM 267 C5 DG A 9 -0.301 -0.280 27.869 1.00 0.00 C ATOM 268 C6 DG A 9 0.936 0.213 27.360 1.00 0.00 C ATOM 269 O6 DG A 9 1.219 1.372 27.071 1.00 0.00 O ATOM 270 N1 DG A 9 1.886 -0.793 27.194 1.00 0.00 N ATOM 271 C2 DG A 9 1.664 -2.127 27.483 1.00 0.00 C ATOM 272 N2 DG A 9 2.712 -2.952 27.397 1.00 0.00 N ATOM 273 N3 DG A 9 0.490 -2.595 27.936 1.00 0.00 N ATOM 274 C4 DG A 9 -0.452 -1.626 28.104 1.00 0.00 C ATOM 275 H5' DG A 9 -5.574 -4.115 26.969 1.00 0.00 H ATOM 276 H5'' DG A 9 -6.176 -5.062 28.341 1.00 0.00 H ATOM 277 H4' DG A 9 -3.925 -5.540 28.181 1.00 0.00 H ATOM 278 H3' DG A 9 -4.908 -4.393 30.572 1.00 0.00 H ATOM 279 HO3' DG A 9 -3.613 -6.279 30.373 1.00 0.00 H ATOM 280 H2' DG A 9 -3.921 -2.242 30.170 1.00 0.00 H ATOM 281 H2'' DG A 9 -2.597 -3.041 31.094 1.00 0.00 H ATOM 282 H1' DG A 9 -1.518 -3.781 29.187 1.00 0.00 H ATOM 283 H8 DG A 9 -3.236 -0.293 29.024 1.00 0.00 H ATOM 284 H1 DG A 9 2.802 -0.516 26.864 1.00 0.00 H ATOM 285 H21 DG A 9 3.616 -2.610 27.101 1.00 0.00 H ATOM 286 H22 DG A 9 2.591 -3.931 27.615 1.00 0.00 H TER 287 DG A 9 ATOM 288 O5' DC B 1 10.663 0.160 24.486 1.00 0.00 O ATOM 289 C5' DC B 1 11.330 -0.616 25.457 1.00 0.00 C ATOM 290 C4' DC B 1 10.440 -1.717 26.054 1.00 0.00 C ATOM 291 O4' DC B 1 9.266 -1.135 26.613 1.00 0.00 O ATOM 292 C3' DC B 1 9.931 -2.719 25.008 1.00 0.00 C ATOM 293 O3' DC B 1 9.746 -4.001 25.593 1.00 0.00 O ATOM 294 C2' DC B 1 8.628 -2.076 24.547 1.00 0.00 C ATOM 295 C1' DC B 1 8.133 -1.643 25.914 1.00 0.00 C ATOM 296 N1 DC B 1 6.974 -0.707 25.903 1.00 0.00 N ATOM 297 C2 DC B 1 5.720 -1.120 26.369 1.00 0.00 C ATOM 298 O2 DC B 1 5.513 -2.281 26.711 1.00 0.00 O ATOM 299 N3 DC B 1 4.708 -0.201 26.420 1.00 0.00 N ATOM 300 C4 DC B 1 4.896 1.062 26.002 1.00 0.00 C ATOM 301 N4 DC B 1 3.891 1.937 26.083 1.00 0.00 N ATOM 302 C5 DC B 1 6.156 1.482 25.463 1.00 0.00 C ATOM 303 C6 DC B 1 7.144 0.568 25.445 1.00 0.00 C ATOM 304 H5' DC B 1 11.661 0.046 26.259 1.00 0.00 H ATOM 305 H5'' DC B 1 12.209 -1.073 25.000 1.00 0.00 H ATOM 306 H4' DC B 1 11.075 -2.207 26.806 1.00 0.00 H ATOM 307 H3' DC B 1 10.612 -2.818 24.189 1.00 0.00 H ATOM 308 H2' DC B 1 8.801 -1.313 23.790 1.00 0.00 H ATOM 309 H2'' DC B 1 7.921 -2.760 24.131 1.00 0.00 H ATOM 310 H1' DC B 1 7.856 -2.596 26.340 1.00 0.00 H ATOM 311 H41 DC B 1 2.998 1.646 26.453 1.00 0.00 H ATOM 312 H42 DC B 1 4.016 2.885 25.761 1.00 0.00 H ATOM 313 H5 DC B 1 6.375 2.461 25.072 1.00 0.00 H ATOM 314 H6 DC B 1 8.068 0.845 24.999 1.00 0.00 H ATOM 315 HO5' DC B 1 11.273 0.821 24.151 1.00 0.00 H ATOM 316 P DT B 2 9.400 -5.311 24.703 1.00 0.00 P ATOM 317 OP1 DT B 2 10.115 -6.462 25.299 1.00 0.00 O ATOM 318 OP2 DT B 2 9.615 -4.978 23.277 1.00 0.00 O ATOM 319 O5' DT B 2 7.815 -5.533 24.919 1.00 0.00 O ATOM 320 C5' DT B 2 7.303 -6.084 26.119 1.00 0.00 C ATOM 321 C4' DT B 2 5.798 -6.345 25.997 1.00 0.00 C ATOM 322 O4' DT B 2 5.122 -5.117 25.795 1.00 0.00 O ATOM 323 C3' DT B 2 5.444 -7.274 24.824 1.00 0.00 C ATOM 324 O3' DT B 2 4.542 -8.267 25.289 1.00 0.00 O ATOM 325 C2' DT B 2 4.780 -6.314 23.826 1.00 0.00 C ATOM 326 C1' DT B 2 4.158 -5.295 24.779 1.00 0.00 C ATOM 327 N1 DT B 2 3.876 -3.974 24.156 1.00 0.00 N ATOM 328 C2 DT B 2 2.614 -3.408 24.326 1.00 0.00 C ATOM 329 O2 DT B 2 1.643 -4.035 24.740 1.00 0.00 O ATOM 330 N3 DT B 2 2.502 -2.063 24.007 1.00 0.00 N ATOM 331 C4 DT B 2 3.510 -1.247 23.515 1.00 0.00 C ATOM 332 O4 DT B 2 3.303 -0.047 23.354 1.00 0.00 O ATOM 333 C5 DT B 2 4.757 -1.942 23.247 1.00 0.00 C ATOM 334 C7 DT B 2 5.922 -1.198 22.616 1.00 0.00 C ATOM 335 C6 DT B 2 4.892 -3.251 23.579 1.00 0.00 C ATOM 336 H5' DT B 2 7.487 -5.396 26.945 1.00 0.00 H ATOM 337 H5'' DT B 2 7.794 -7.034 26.333 1.00 0.00 H ATOM 338 H4' DT B 2 5.450 -6.785 26.933 1.00 0.00 H ATOM 339 H3' DT B 2 6.340 -7.764 24.430 1.00 0.00 H ATOM 340 H2' DT B 2 5.519 -5.855 23.170 1.00 0.00 H ATOM 341 H2'' DT B 2 4.025 -6.783 23.205 1.00 0.00 H ATOM 342 H1' DT B 2 3.274 -5.748 25.229 1.00 0.00 H ATOM 343 H3 DT B 2 1.593 -1.646 24.151 1.00 0.00 H ATOM 344 H71 DT B 2 6.256 -0.404 23.276 1.00 0.00 H ATOM 345 H72 DT B 2 6.765 -1.861 22.424 1.00 0.00 H ATOM 346 H73 DT B 2 5.613 -0.748 21.676 1.00 0.00 H ATOM 347 H6 DT B 2 5.829 -3.748 23.405 1.00 0.00 H ATOM 348 P DC B 3 4.070 -9.508 24.364 1.00 0.00 P ATOM 349 OP1 DC B 3 3.644 -10.608 25.257 1.00 0.00 O ATOM 350 OP2 DC B 3 5.109 -9.756 23.340 1.00 0.00 O ATOM 351 O5' DC B 3 2.762 -8.927 23.620 1.00 0.00 O ATOM 352 C5' DC B 3 1.503 -8.895 24.263 1.00 0.00 C ATOM 353 C4' DC B 3 0.472 -8.131 23.424 1.00 0.00 C ATOM 354 O4' DC B 3 0.818 -6.763 23.338 1.00 0.00 O ATOM 355 C3' DC B 3 0.331 -8.630 21.975 1.00 0.00 C ATOM 356 O3' DC B 3 -0.847 -9.418 21.869 1.00 0.00 O ATOM 357 C2' DC B 3 0.249 -7.332 21.145 1.00 0.00 C ATOM 358 C1' DC B 3 0.147 -6.243 22.209 1.00 0.00 C ATOM 359 N1 DC B 3 0.775 -4.991 21.744 1.00 0.00 N ATOM 360 C2 DC B 3 0.024 -3.828 21.601 1.00 0.00 C ATOM 361 O2 DC B 3 -1.182 -3.812 21.826 1.00 0.00 O ATOM 362 N3 DC B 3 0.658 -2.697 21.186 1.00 0.00 N ATOM 363 C4 DC B 3 1.959 -2.714 20.860 1.00 0.00 C ATOM 364 N4 DC B 3 2.528 -1.563 20.489 1.00 0.00 N ATOM 365 C5 DC B 3 2.727 -3.931 20.925 1.00 0.00 C ATOM 366 C6 DC B 3 2.086 -5.027 21.384 1.00 0.00 C ATOM 367 H5' DC B 3 1.593 -8.406 25.234 1.00 0.00 H ATOM 368 H5'' DC B 3 1.149 -9.916 24.412 1.00 0.00 H ATOM 369 H4' DC B 3 -0.489 -8.223 23.937 1.00 0.00 H ATOM 370 H3' DC B 3 1.218 -9.222 21.728 1.00 0.00 H ATOM 371 H2' DC B 3 1.112 -7.198 20.482 1.00 0.00 H ATOM 372 H2'' DC B 3 -0.635 -7.250 20.528 1.00 0.00 H ATOM 373 H1' DC B 3 -0.895 -6.090 22.452 1.00 0.00 H ATOM 374 H41 DC B 3 1.958 -0.727 20.460 1.00 0.00 H ATOM 375 H42 DC B 3 3.503 -1.530 20.233 1.00 0.00 H ATOM 376 H5 DC B 3 3.755 -4.041 20.631 1.00 0.00 H ATOM 377 H6 DC B 3 2.564 -5.991 21.457 1.00 0.00 H ATOM 378 P DG B 4 -1.338 -10.088 20.477 1.00 0.00 P ATOM 379 OP1 DG B 4 -2.168 -11.269 20.808 1.00 0.00 O ATOM 380 OP2 DG B 4 -0.162 -10.246 19.593 1.00 0.00 O ATOM 381 O5' DG B 4 -2.306 -8.967 19.826 1.00 0.00 O ATOM 382 C5' DG B 4 -3.545 -8.622 20.423 1.00 0.00 C ATOM 383 C4' DG B 4 -4.203 -7.451 19.682 1.00 0.00 C ATOM 384 O4' DG B 4 -3.329 -6.333 19.709 1.00 0.00 O ATOM 385 C3' DG B 4 -4.522 -7.766 18.210 1.00 0.00 C ATOM 386 O3' DG B 4 -5.851 -7.361 17.899 1.00 0.00 O ATOM 387 C2' DG B 4 -3.513 -6.903 17.467 1.00 0.00 C ATOM 388 C1' DG B 4 -3.344 -5.733 18.432 1.00 0.00 C ATOM 389 N9 DG B 4 -2.116 -4.925 18.230 1.00 0.00 N ATOM 390 C8 DG B 4 -0.852 -5.337 17.890 1.00 0.00 C ATOM 391 N7 DG B 4 0.033 -4.381 17.851 1.00 0.00 N ATOM 392 C5 DG B 4 -0.698 -3.238 18.152 1.00 0.00 C ATOM 393 C6 DG B 4 -0.289 -1.870 18.183 1.00 0.00 C ATOM 394 O6 DG B 4 0.840 -1.414 18.024 1.00 0.00 O ATOM 395 N1 DG B 4 -1.353 -1.002 18.409 1.00 0.00 N ATOM 396 C2 DG B 4 -2.659 -1.407 18.613 1.00 0.00 C ATOM 397 N2 DG B 4 -3.571 -0.452 18.820 1.00 0.00 N ATOM 398 N3 DG B 4 -3.039 -2.694 18.622 1.00 0.00 N ATOM 399 C4 DG B 4 -2.017 -3.559 18.372 1.00 0.00 C ATOM 400 H5' DG B 4 -3.379 -8.326 21.460 1.00 0.00 H ATOM 401 H5'' DG B 4 -4.216 -9.481 20.404 1.00 0.00 H ATOM 402 H4' DG B 4 -5.126 -7.190 20.202 1.00 0.00 H ATOM 403 H3' DG B 4 -4.379 -8.824 17.988 1.00 0.00 H ATOM 404 H2' DG B 4 -2.580 -7.431 17.347 1.00 0.00 H ATOM 405 H2'' DG B 4 -3.890 -6.635 16.491 1.00 0.00 H ATOM 406 H1' DG B 4 -4.222 -5.105 18.344 1.00 0.00 H ATOM 407 H8 DG B 4 -0.613 -6.360 17.646 1.00 0.00 H ATOM 408 H1 DG B 4 -1.132 -0.014 18.424 1.00 0.00 H ATOM 409 H21 DG B 4 -3.302 0.522 18.814 1.00 0.00 H ATOM 410 H22 DG B 4 -4.532 -0.710 18.987 1.00 0.00 H ATOM 411 P DG B 5 -6.560 -7.688 16.472 1.00 0.00 P ATOM 412 OP1 DG B 5 -8.023 -7.684 16.692 1.00 0.00 O ATOM 413 OP2 DG B 5 -5.916 -8.893 15.903 1.00 0.00 O ATOM 414 O5' DG B 5 -6.213 -6.434 15.503 1.00 0.00 O ATOM 415 C5' DG B 5 -6.444 -6.516 14.105 1.00 0.00 C ATOM 416 C4' DG B 5 -6.338 -5.145 13.420 1.00 0.00 C ATOM 417 O4' DG B 5 -5.015 -4.645 13.404 1.00 0.00 O ATOM 418 C3' DG B 5 -6.770 -5.196 11.945 1.00 0.00 C ATOM 419 O3' DG B 5 -8.060 -4.616 11.826 1.00 0.00 O ATOM 420 C2' DG B 5 -5.678 -4.380 11.222 1.00 0.00 C ATOM 421 C1' DG B 5 -4.972 -3.678 12.374 1.00 0.00 C ATOM 422 N9 DG B 5 -3.579 -3.281 12.053 1.00 0.00 N ATOM 423 C8 DG B 5 -2.495 -4.091 11.826 1.00 0.00 C ATOM 424 N7 DG B 5 -1.368 -3.452 11.679 1.00 0.00 N ATOM 425 C5 DG B 5 -1.724 -2.115 11.804 1.00 0.00 C ATOM 426 C6 DG B 5 -0.910 -0.942 11.761 1.00 0.00 C ATOM 427 O6 DG B 5 0.308 -0.868 11.626 1.00 0.00 O ATOM 428 N1 DG B 5 -1.652 0.229 11.887 1.00 0.00 N ATOM 429 C2 DG B 5 -3.023 0.264 12.062 1.00 0.00 C ATOM 430 N2 DG B 5 -3.587 1.471 12.166 1.00 0.00 N ATOM 431 N3 DG B 5 -3.787 -0.839 12.142 1.00 0.00 N ATOM 432 C4 DG B 5 -3.081 -1.996 12.003 1.00 0.00 C ATOM 433 H5' DG B 5 -7.455 -6.892 13.940 1.00 0.00 H ATOM 434 H5'' DG B 5 -5.732 -7.209 13.654 1.00 0.00 H ATOM 435 H4' DG B 5 -6.966 -4.431 13.956 1.00 0.00 H ATOM 436 H3' DG B 5 -6.816 -6.237 11.607 1.00 0.00 H ATOM 437 H2' DG B 5 -4.961 -5.016 10.694 1.00 0.00 H ATOM 438 H2'' DG B 5 -6.084 -3.644 10.534 1.00 0.00 H ATOM 439 H1' DG B 5 -5.559 -2.805 12.660 1.00 0.00 H ATOM 440 H8 DG B 5 -2.562 -5.169 11.797 1.00 0.00 H ATOM 441 H1 DG B 5 -1.143 1.103 11.832 1.00 0.00 H ATOM 442 H21 DG B 5 -3.020 2.306 12.112 1.00 0.00 H ATOM 443 H22 DG B 5 -4.586 1.541 12.293 1.00 0.00 H ATOM 444 P DG B 6 -8.873 -4.579 10.427 1.00 0.00 P ATOM 445 OP1 DG B 6 -10.317 -4.484 10.736 1.00 0.00 O ATOM 446 OP2 DG B 6 -8.378 -5.676 9.565 1.00 0.00 O ATOM 447 O5' DG B 6 -8.407 -3.180 9.774 1.00 0.00 O ATOM 448 C5' DG B 6 -8.827 -1.942 10.314 1.00 0.00 C ATOM 449 C4' DG B 6 -8.154 -0.776 9.584 1.00 0.00 C ATOM 450 O4' DG B 6 -6.756 -0.781 9.837 1.00 0.00 O ATOM 451 C3' DG B 6 -8.349 -0.837 8.059 1.00 0.00 C ATOM 452 O3' DG B 6 -8.711 0.458 7.609 1.00 0.00 O ATOM 453 C2' DG B 6 -6.951 -1.249 7.593 1.00 0.00 C ATOM 454 C1' DG B 6 -6.103 -0.504 8.615 1.00 0.00 C ATOM 455 N9 DG B 6 -4.700 -0.970 8.628 1.00 0.00 N ATOM 456 C8 DG B 6 -4.227 -2.256 8.682 1.00 0.00 C ATOM 457 N7 DG B 6 -2.929 -2.351 8.713 1.00 0.00 N ATOM 458 C5 DG B 6 -2.501 -1.030 8.674 1.00 0.00 C ATOM 459 C6 DG B 6 -1.179 -0.495 8.725 1.00 0.00 C ATOM 460 O6 DG B 6 -0.125 -1.112 8.846 1.00 0.00 O ATOM 461 N1 DG B 6 -1.166 0.897 8.677 1.00 0.00 N ATOM 462 C2 DG B 6 -2.298 1.680 8.539 1.00 0.00 C ATOM 463 N2 DG B 6 -2.119 2.991 8.363 1.00 0.00 N ATOM 464 N3 DG B 6 -3.543 1.181 8.521 1.00 0.00 N ATOM 465 C4 DG B 6 -3.577 -0.177 8.604 1.00 0.00 C ATOM 466 H5' DG B 6 -8.570 -1.890 11.374 1.00 0.00 H ATOM 467 H5'' DG B 6 -9.909 -1.848 10.207 1.00 0.00 H ATOM 468 H4' DG B 6 -8.574 0.154 9.972 1.00 0.00 H ATOM 469 H3' DG B 6 -9.123 -1.545 7.758 1.00 0.00 H ATOM 470 H2' DG B 6 -6.812 -2.326 7.706 1.00 0.00 H ATOM 471 H2'' DG B 6 -6.717 -0.963 6.573 1.00 0.00 H ATOM 472 H1' DG B 6 -6.151 0.567 8.413 1.00 0.00 H ATOM 473 H8 DG B 6 -4.879 -3.114 8.698 1.00 0.00 H ATOM 474 H1 DG B 6 -0.256 1.340 8.715 1.00 0.00 H ATOM 475 H21 DG B 6 -1.185 3.379 8.343 1.00 0.00 H ATOM 476 H22 DG B 6 -2.920 3.587 8.216 1.00 0.00 H ATOM 477 P DA B 7 -9.129 0.769 6.080 1.00 0.00 P ATOM 478 OP1 DA B 7 -10.457 1.423 6.086 1.00 0.00 O ATOM 479 OP2 DA B 7 -8.911 -0.445 5.262 1.00 0.00 O ATOM 480 O5' DA B 7 -8.025 1.861 5.655 1.00 0.00 O ATOM 481 C5' DA B 7 -8.046 3.171 6.193 1.00 0.00 C ATOM 482 C4' DA B 7 -6.870 3.990 5.655 1.00 0.00 C ATOM 483 O4' DA B 7 -5.655 3.381 6.070 1.00 0.00 O ATOM 484 C3' DA B 7 -6.868 4.061 4.119 1.00 0.00 C ATOM 485 O3' DA B 7 -6.512 5.376 3.721 1.00 0.00 O ATOM 486 C2' DA B 7 -5.803 3.026 3.771 1.00 0.00 C ATOM 487 C1' DA B 7 -4.838 3.199 4.932 1.00 0.00 C ATOM 488 N9 DA B 7 -3.965 2.016 5.084 1.00 0.00 N ATOM 489 C8 DA B 7 -4.329 0.695 5.125 1.00 0.00 C ATOM 490 N7 DA B 7 -3.336 -0.133 5.296 1.00 0.00 N ATOM 491 C5 DA B 7 -2.226 0.702 5.369 1.00 0.00 C ATOM 492 C6 DA B 7 -0.849 0.458 5.556 1.00 0.00 C ATOM 493 N6 DA B 7 -0.343 -0.767 5.741 1.00 0.00 N ATOM 494 N1 DA B 7 -0.013 1.514 5.585 1.00 0.00 N ATOM 495 C2 DA B 7 -0.505 2.738 5.410 1.00 0.00 C ATOM 496 N3 DA B 7 -1.772 3.098 5.228 1.00 0.00 N ATOM 497 C4 DA B 7 -2.598 2.016 5.222 1.00 0.00 C ATOM 498 H5' DA B 7 -7.977 3.125 7.281 1.00 0.00 H ATOM 499 H5'' DA B 7 -8.977 3.668 5.918 1.00 0.00 H ATOM 500 H4' DA B 7 -6.931 4.995 6.074 1.00 0.00 H ATOM 501 H3' DA B 7 -7.838 3.796 3.697 1.00 0.00 H ATOM 502 H2' DA B 7 -6.269 2.037 3.735 1.00 0.00 H ATOM 503 H2'' DA B 7 -5.266 3.218 2.854 1.00 0.00 H ATOM 504 H1' DA B 7 -4.253 4.103 4.750 1.00 0.00 H ATOM 505 H8 DA B 7 -5.357 0.383 5.013 1.00 0.00 H ATOM 506 H61 DA B 7 0.648 -0.895 5.893 1.00 0.00 H ATOM 507 H62 DA B 7 -0.962 -1.565 5.741 1.00 0.00 H ATOM 508 H2 DA B 7 0.212 3.545 5.435 1.00 0.00 H ATOM 509 P DC B 8 -6.387 5.818 2.169 1.00 0.00 P ATOM 510 OP1 DC B 8 -6.915 7.195 2.037 1.00 0.00 O ATOM 511 OP2 DC B 8 -6.931 4.737 1.317 1.00 0.00 O ATOM 512 O5' DC B 8 -4.789 5.869 1.958 1.00 0.00 O ATOM 513 C5' DC B 8 -4.003 6.843 2.618 1.00 0.00 C ATOM 514 C4' DC B 8 -2.514 6.625 2.341 1.00 0.00 C ATOM 515 O4' DC B 8 -2.147 5.319 2.760 1.00 0.00 O ATOM 516 C3' DC B 8 -2.141 6.764 0.855 1.00 0.00 C ATOM 517 O3' DC B 8 -0.943 7.522 0.784 1.00 0.00 O ATOM 518 C2' DC B 8 -1.934 5.300 0.451 1.00 0.00 C ATOM 519 C1' DC B 8 -1.347 4.747 1.747 1.00 0.00 C ATOM 520 N1 DC B 8 -1.373 3.264 1.833 1.00 0.00 N ATOM 521 C2 DC B 8 -0.208 2.572 2.172 1.00 0.00 C ATOM 522 O2 DC B 8 0.875 3.144 2.277 1.00 0.00 O ATOM 523 N3 DC B 8 -0.286 1.226 2.373 1.00 0.00 N ATOM 524 C4 DC B 8 -1.442 0.563 2.223 1.00 0.00 C ATOM 525 N4 DC B 8 -1.465 -0.748 2.476 1.00 0.00 N ATOM 526 C5 DC B 8 -2.640 1.250 1.836 1.00 0.00 C ATOM 527 C6 DC B 8 -2.550 2.583 1.661 1.00 0.00 C ATOM 528 H5' DC B 8 -4.166 6.776 3.695 1.00 0.00 H ATOM 529 H5'' DC B 8 -4.286 7.842 2.281 1.00 0.00 H ATOM 530 H4' DC B 8 -1.954 7.354 2.928 1.00 0.00 H ATOM 531 H3' DC B 8 -2.921 7.270 0.279 1.00 0.00 H ATOM 532 H2' DC B 8 -2.892 4.829 0.226 1.00 0.00 H ATOM 533 H2'' DC B 8 -1.261 5.168 -0.392 1.00 0.00 H ATOM 534 H1' DC B 8 -0.341 5.142 1.850 1.00 0.00 H ATOM 535 H41 DC B 8 -0.607 -1.208 2.754 1.00 0.00 H ATOM 536 H42 DC B 8 -2.326 -1.269 2.408 1.00 0.00 H ATOM 537 H5 DC B 8 -3.607 0.800 1.689 1.00 0.00 H ATOM 538 H6 DC B 8 -3.442 3.104 1.372 1.00 0.00 H ATOM 539 P DC B 9 -0.179 7.853 -0.602 1.00 0.00 P ATOM 540 OP1 DC B 9 0.231 9.274 -0.576 1.00 0.00 O ATOM 541 OP2 DC B 9 -0.986 7.343 -1.734 1.00 0.00 O ATOM 542 O5' DC B 9 1.148 6.942 -0.478 1.00 0.00 O ATOM 543 C5' DC B 9 2.130 7.219 0.503 1.00 0.00 C ATOM 544 C4' DC B 9 3.335 6.278 0.389 1.00 0.00 C ATOM 545 O4' DC B 9 2.923 4.937 0.627 1.00 0.00 O ATOM 546 C3' DC B 9 3.975 6.310 -1.006 1.00 0.00 C ATOM 547 O3' DC B 9 5.374 6.145 -0.899 1.00 0.00 O ATOM 548 C2' DC B 9 3.369 5.073 -1.668 1.00 0.00 C ATOM 549 C1' DC B 9 3.319 4.125 -0.469 1.00 0.00 C ATOM 550 N1 DC B 9 2.370 2.992 -0.651 1.00 0.00 N ATOM 551 C2 DC B 9 2.819 1.682 -0.464 1.00 0.00 C ATOM 552 O2 DC B 9 4.007 1.424 -0.285 1.00 0.00 O ATOM 553 N3 DC B 9 1.907 0.669 -0.497 1.00 0.00 N ATOM 554 C4 DC B 9 0.611 0.908 -0.741 1.00 0.00 C ATOM 555 N4 DC B 9 -0.244 -0.120 -0.720 1.00 0.00 N ATOM 556 C5 DC B 9 0.139 2.238 -1.004 1.00 0.00 C ATOM 557 C6 DC B 9 1.050 3.234 -0.939 1.00 0.00 C ATOM 558 H5' DC B 9 1.694 7.114 1.498 1.00 0.00 H ATOM 559 H5'' DC B 9 2.486 8.244 0.384 1.00 0.00 H ATOM 560 H4' DC B 9 4.054 6.599 1.148 1.00 0.00 H ATOM 561 H3' DC B 9 3.770 7.240 -1.542 1.00 0.00 H ATOM 562 HO3' DC B 9 5.733 6.890 -0.412 1.00 0.00 H ATOM 563 H2' DC B 9 2.375 5.295 -2.055 1.00 0.00 H ATOM 564 H2'' DC B 9 3.980 4.670 -2.471 1.00 0.00 H ATOM 565 H1' DC B 9 4.335 3.767 -0.291 1.00 0.00 H ATOM 566 H41 DC B 9 0.107 -1.043 -0.501 1.00 0.00 H ATOM 567 H42 DC B 9 -1.228 0.029 -0.886 1.00 0.00 H ATOM 568 H5 DC B 9 -0.884 2.495 -1.226 1.00 0.00 H ATOM 569 H6 DC B 9 0.718 4.240 -1.118 1.00 0.00 H TER 570 DC B 9 HETATM 571 C1 BAP A 10 -4.490 -2.431 15.602 1.00 0.00 C HETATM 572 C2 BAP A 10 -5.033 -1.167 15.752 1.00 0.00 C HETATM 573 C3 BAP A 10 -4.198 -0.046 15.655 1.00 0.00 C HETATM 574 C3A BAP A 10 -2.817 -0.218 15.405 1.00 0.00 C HETATM 575 C4 BAP A 10 -1.973 0.899 15.309 1.00 0.00 C HETATM 576 C5 BAP A 10 -0.612 0.723 15.058 1.00 0.00 C HETATM 577 C5A BAP A 10 -0.075 -0.571 14.858 1.00 0.00 C HETATM 578 C6 BAP A 10 1.286 -0.761 14.482 1.00 0.00 C HETATM 579 C7 BAP A 10 1.769 -2.058 14.224 1.00 0.00 C HETATM 580 C8 BAP A 10 0.928 -3.151 14.450 1.00 0.00 C HETATM 581 C8A BAP A 10 -0.418 -2.949 14.787 1.00 0.00 C HETATM 582 C9 BAP A 10 -1.261 -4.064 14.906 1.00 0.00 C HETATM 583 C10 BAP A 10 -2.603 -3.879 15.198 1.00 0.00 C HETATM 584 C1A BAP A 10 -3.119 -2.590 15.347 1.00 0.00 C HETATM 585 C3B BAP A 10 -2.282 -1.490 15.243 1.00 0.00 C HETATM 586 C5B BAP A 10 -0.924 -1.667 14.967 1.00 0.00 C HETATM 587 C1' BAP A 10 3.168 -2.296 13.682 1.00 0.00 C HETATM 588 O1' BAP A 10 3.122 -3.263 12.653 1.00 0.00 O HETATM 589 C2' BAP A 10 3.843 -1.049 13.108 1.00 0.00 C HETATM 590 O2' BAP A 10 5.209 -1.304 12.859 1.00 0.00 O HETATM 591 C3' BAP A 10 3.699 0.097 14.104 1.00 0.00 C HETATM 592 O3' BAP A 10 4.262 -0.267 15.349 1.00 0.00 O HETATM 593 C4' BAP A 10 2.213 0.428 14.286 1.00 0.00 C HETATM 594 H1 BAP A 10 -5.160 -3.268 15.672 1.00 0.00 H HETATM 595 H2 BAP A 10 -6.088 -1.133 15.940 1.00 0.00 H HETATM 596 H3 BAP A 10 -4.616 0.943 15.777 1.00 0.00 H HETATM 597 H4 BAP A 10 -2.366 1.898 15.421 1.00 0.00 H HETATM 598 H5 BAP A 10 -0.013 1.615 15.011 1.00 0.00 H HETATM 599 H8 BAP A 10 1.288 -4.161 14.315 1.00 0.00 H HETATM 600 H9 BAP A 10 -0.894 -5.067 14.770 1.00 0.00 H HETATM 601 H10 BAP A 10 -3.244 -4.724 15.310 1.00 0.00 H HETATM 602 H1' BAP A 10 3.778 -2.694 14.494 1.00 0.00 H HETATM 603 HO1 BAP A 10 4.013 -3.389 12.318 1.00 0.00 H HETATM 604 H2' BAP A 10 3.364 -0.771 12.169 1.00 0.00 H HETATM 605 HO2 BAP A 10 5.639 -1.482 13.699 1.00 0.00 H HETATM 606 H3' BAP A 10 4.236 0.971 13.733 1.00 0.00 H HETATM 607 HO3 BAP A 10 4.176 0.475 15.950 1.00 0.00 H HETATM 608 H4'1 BAP A 10 2.153 1.035 15.186 1.00 0.00 H CONECT 143 593 CONECT 571 572 584 594 CONECT 572 571 573 595 CONECT 573 572 574 596 CONECT 574 573 575 585 CONECT 575 574 576 597 CONECT 576 575 577 598 CONECT 577 576 578 586 CONECT 578 577 579 593 CONECT 579 578 580 587 CONECT 580 579 581 599 CONECT 581 580 582 586 CONECT 582 581 583 600 CONECT 583 582 584 601 CONECT 584 571 583 585 CONECT 585 574 584 586 CONECT 586 577 581 585 CONECT 587 579 588 589 602 CONECT 588 587 603 CONECT 589 587 590 591 604 CONECT 590 589 605 CONECT 591 589 592 593 606 CONECT 592 591 607 CONECT 593 143 578 591 608 CONECT 594 571 CONECT 595 572 CONECT 596 573 CONECT 597 575 CONECT 598 576 CONECT 599 580 CONECT 600 582 CONECT 601 583 CONECT 602 587 CONECT 603 588 CONECT 604 589 CONECT 605 590 CONECT 606 591 CONECT 607 592 CONECT 608 593 MASTER 134 0 1 0 0 0 1 6 606 2 39 2 END