USER MOD reduce.3.24.130724 H: found=0, std=0, add=226, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 226 hydrogens (0 hets) HEADER DNA 29-APR-94 175D TITLE THE DNA SEQUENCE GCGAATGAGC CONTAINING THE HUMAN CENTROMERE TITLE 2 CORE SEQUENCE GAAT FORMS A SELF-COMPLEMENTARY DUPLEX WITH TITLE 3 SHEARED G:A PAIRS IN SOLUTION COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA (5'-D(*GP*CP*GP*AP*AP*TP*GP*AP*GP*C)-3'); COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: CHEMICALLY SYNTHESIZED KEYWDS DNA, NMR, DOUBLE HELIX, SHEARED G:A PAIRS EXPDTA SOLUTION NMR AUTHOR S.-H.CHOU,J.-W.CHENG,O.FEDOROFF,B.R.REID REVDAT 4 19-MAY-09 175D 1 REMARK REVDAT 3 24-FEB-09 175D 1 VERSN REVDAT 2 01-APR-03 175D 1 JRNL REVDAT 1 30-SEP-94 175D 0 JRNL AUTH S.H.CHOU,J.W.CHENG,O.FEDOROFF,B.R.REID JRNL TITL DNA SEQUENCE GCGAATGAGC CONTAINING THE HUMAN JRNL TITL 2 CENTROMERE CORE SEQUENCE GAAT FORMS A JRNL TITL 3 SELF-COMPLEMENTARY DUPLEX WITH SHEARED G.A PAIRS JRNL TITL 4 IN SOLUTION. JRNL REF J.MOL.BIOL. V. 241 467 1994 JRNL REFN ISSN 0022-2836 JRNL PMID 8064859 JRNL DOI 10.1006/JMBI.1994.1521 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : NULL REMARK 3 AUTHORS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE SEQUENCE FORMS A STABLE TEN BASE REMARK 3 -PAIR B-FORM DUPLEX WITH TWO PAIRS OF ADJACENT G:A MISMATCHES REMARK 3 PAIRED VIA A SHEARED HYDROGEN BONDING SCHEME: 5' - G - C - G - REMARK 3 A - A - T - G - A - G - C - 3' 3' - C - G - A - G - T - A - A REMARK 3 - G - C - G - 5' REMARK 4 REMARK 4 175D 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 : NULL 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: 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 DG A 1 O4' - C1' - N9 ANGL. DEV. = 3.1 DEGREES REMARK 500 DC A 2 O4' - C1' - N1 ANGL. DEV. = 3.0 DEGREES REMARK 500 DA A 4 O4' - C1' - N9 ANGL. DEV. = 2.6 DEGREES REMARK 500 DT A 6 O4' - C1' - N1 ANGL. DEV. = 3.0 DEGREES REMARK 500 DT A 6 C6 - C5 - C7 ANGL. DEV. = -4.0 DEGREES REMARK 500 DA A 8 O4' - C1' - N9 ANGL. DEV. = 2.7 DEGREES REMARK 500 DG A 9 O4' - C1' - N9 ANGL. DEV. = 2.8 DEGREES REMARK 500 DC A 10 O4' - C1' - N1 ANGL. DEV. = 2.7 DEGREES REMARK 500 DG B 11 O4' - C1' - N9 ANGL. DEV. = 3.2 DEGREES REMARK 500 DC B 12 O4' - C1' - N1 ANGL. DEV. = 3.1 DEGREES REMARK 500 DA B 14 O4' - C1' - N9 ANGL. DEV. = 2.7 DEGREES REMARK 500 DT B 16 O4' - C1' - N1 ANGL. DEV. = 3.1 DEGREES REMARK 500 DT B 16 C6 - C5 - C7 ANGL. DEV. = -4.1 DEGREES REMARK 500 DA B 18 O4' - C1' - N9 ANGL. DEV. = 2.6 DEGREES REMARK 500 DG B 19 O4' - C1' - N9 ANGL. DEV. = 2.8 DEGREES REMARK 500 DC B 20 O4' - C1' - N1 ANGL. DEV. = 2.7 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 DA A 5 0.06 SIDE_CHAIN REMARK 500 DT A 6 0.06 SIDE_CHAIN REMARK 500 DA B 15 0.06 SIDE_CHAIN REMARK 500 DT B 16 0.06 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 175D A 1 10 PDB 175D 175D 1 10 DBREF 175D B 11 20 PDB 175D 175D 11 20 SEQRES 1 A 10 DG DC DG DA DA DT DG DA DG DC SEQRES 1 B 10 DG DC DG DA DA DT DG DA DG DC CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DG O5' : rot 180:sc= 0 USER MOD Single : A 6 DT C7 :methyl -30:sc= -2.42! (180deg=-4.37!) USER MOD Single : A 10 DC O3' : rot 180:sc= 0 USER MOD Single : B 11 DG O5' : rot 180:sc= 0 USER MOD Single : B 16 DT C7 :methyl -30:sc= -2.44! (180deg=-4.27!) USER MOD Single : B 20 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -9.448 -15.303 4.586 1.00 0.00 O ATOM 2 C5' DG A 1 -9.082 -15.872 5.828 1.00 0.00 C ATOM 3 C4' DG A 1 -7.709 -15.370 6.305 1.00 0.00 C ATOM 4 O4' DG A 1 -6.706 -15.747 5.370 1.00 0.00 O ATOM 5 C3' DG A 1 -7.643 -13.837 6.463 1.00 0.00 C ATOM 6 O3' DG A 1 -6.961 -13.515 7.670 1.00 0.00 O ATOM 7 C2' DG A 1 -6.835 -13.437 5.230 1.00 0.00 C ATOM 8 C1' DG A 1 -5.881 -14.623 5.137 1.00 0.00 C ATOM 9 N9 DG A 1 -5.204 -14.712 3.824 1.00 0.00 N ATOM 10 C8 DG A 1 -5.752 -14.924 2.584 1.00 0.00 C ATOM 11 N7 DG A 1 -4.878 -14.997 1.618 1.00 0.00 N ATOM 12 C5 DG A 1 -3.654 -14.816 2.258 1.00 0.00 C ATOM 13 C6 DG A 1 -2.315 -14.786 1.738 1.00 0.00 C ATOM 14 O6 DG A 1 -1.953 -14.939 0.575 1.00 0.00 O ATOM 15 N1 DG A 1 -1.348 -14.540 2.716 1.00 0.00 N ATOM 16 C2 DG A 1 -1.640 -14.331 4.052 1.00 0.00 C ATOM 17 N2 DG A 1 -0.624 -14.046 4.862 1.00 0.00 N ATOM 18 N3 DG A 1 -2.889 -14.371 4.548 1.00 0.00 N ATOM 19 C4 DG A 1 -3.850 -14.619 3.609 1.00 0.00 C ATOM 0 H5' DG A 1 -9.060 -16.958 5.738 1.00 0.00 H new ATOM 0 H5'' DG A 1 -9.837 -15.629 6.575 1.00 0.00 H new ATOM 0 H4' DG A 1 -7.545 -15.824 7.282 1.00 0.00 H new ATOM 0 H3' DG A 1 -8.607 -13.332 6.525 1.00 0.00 H new ATOM 0 H2' DG A 1 -7.457 -13.333 4.341 1.00 0.00 H new ATOM 0 H2'' DG A 1 -6.311 -12.491 5.365 1.00 0.00 H new ATOM 0 HO5' DG A 1 -10.325 -15.647 4.314 1.00 0.00 H new ATOM 0 H1' DG A 1 -5.065 -14.539 5.855 1.00 0.00 H new ATOM 0 H8 DG A 1 -6.815 -15.022 2.422 1.00 0.00 H new ATOM 0 H1 DG A 1 -0.370 -14.513 2.428 1.00 0.00 H new ATOM 0 H21 DG A 1 -0.793 -13.884 5.855 1.00 0.00 H new ATOM 0 H22 DG A 1 0.324 -13.989 4.490 1.00 0.00 H new ATOM 32 P DC A 2 -6.760 -11.993 8.189 1.00 0.00 P ATOM 33 OP1 DC A 2 -6.901 -11.996 9.662 1.00 0.00 O ATOM 34 OP2 DC A 2 -7.622 -11.106 7.375 1.00 0.00 O ATOM 35 O5' DC A 2 -5.218 -11.654 7.825 1.00 0.00 O ATOM 36 C5' DC A 2 -4.133 -12.122 8.615 1.00 0.00 C ATOM 37 C4' DC A 2 -2.792 -11.545 8.129 1.00 0.00 C ATOM 38 O4' DC A 2 -2.522 -11.937 6.785 1.00 0.00 O ATOM 39 C3' DC A 2 -2.762 -10.004 8.181 1.00 0.00 C ATOM 40 O3' DC A 2 -1.514 -9.576 8.716 1.00 0.00 O ATOM 41 C2' DC A 2 -2.910 -9.658 6.699 1.00 0.00 C ATOM 42 C1' DC A 2 -2.104 -10.791 6.065 1.00 0.00 C ATOM 43 N1 DC A 2 -2.337 -10.956 4.598 1.00 0.00 N ATOM 44 C2 DC A 2 -1.234 -10.999 3.726 1.00 0.00 C ATOM 45 O2 DC A 2 -0.087 -10.817 4.124 1.00 0.00 O ATOM 46 N3 DC A 2 -1.445 -11.276 2.405 1.00 0.00 N ATOM 47 C4 DC A 2 -2.681 -11.503 1.937 1.00 0.00 C ATOM 48 N4 DC A 2 -2.816 -11.831 0.654 1.00 0.00 N ATOM 49 C5 DC A 2 -3.833 -11.445 2.795 1.00 0.00 C ATOM 50 C6 DC A 2 -3.610 -11.172 4.107 1.00 0.00 C ATOM 0 H5' DC A 2 -4.097 -13.211 8.577 1.00 0.00 H new ATOM 0 H5'' DC A 2 -4.294 -11.844 9.657 1.00 0.00 H new ATOM 0 H4' DC A 2 -2.036 -11.943 8.806 1.00 0.00 H new ATOM 0 H3' DC A 2 -3.520 -9.533 8.806 1.00 0.00 H new ATOM 0 H2' DC A 2 -3.951 -9.659 6.375 1.00 0.00 H new ATOM 0 H2'' DC A 2 -2.502 -8.676 6.460 1.00 0.00 H new ATOM 0 H1' DC A 2 -1.033 -10.596 6.129 1.00 0.00 H new ATOM 0 H41 DC A 2 -3.743 -12.010 0.268 1.00 0.00 H new ATOM 0 H42 DC A 2 -1.992 -11.903 0.057 1.00 0.00 H new ATOM 0 H5 DC A 2 -4.830 -11.611 2.414 1.00 0.00 H new ATOM 0 H6 DC A 2 -4.450 -11.123 4.784 1.00 0.00 H new ATOM 62 P DG A 3 -1.159 -8.020 8.986 1.00 0.00 P ATOM 63 OP1 DG A 3 -0.027 -7.969 9.937 1.00 0.00 O ATOM 64 OP2 DG A 3 -2.413 -7.300 9.301 1.00 0.00 O ATOM 65 O5' DG A 3 -0.635 -7.506 7.547 1.00 0.00 O ATOM 66 C5' DG A 3 0.628 -7.884 7.026 1.00 0.00 C ATOM 67 C4' DG A 3 0.804 -7.335 5.603 1.00 0.00 C ATOM 68 O4' DG A 3 -0.133 -7.934 4.717 1.00 0.00 O ATOM 69 C3' DG A 3 0.607 -5.807 5.526 1.00 0.00 C ATOM 70 O3' DG A 3 1.668 -5.184 4.821 1.00 0.00 O ATOM 71 C2' DG A 3 -0.682 -5.684 4.716 1.00 0.00 C ATOM 72 C1' DG A 3 -0.624 -6.939 3.844 1.00 0.00 C ATOM 73 N9 DG A 3 -1.938 -7.354 3.293 1.00 0.00 N ATOM 74 C8 DG A 3 -3.169 -7.297 3.895 1.00 0.00 C ATOM 75 N7 DG A 3 -4.148 -7.774 3.181 1.00 0.00 N ATOM 76 C5 DG A 3 -3.531 -8.171 2.001 1.00 0.00 C ATOM 77 C6 DG A 3 -4.095 -8.726 0.802 1.00 0.00 C ATOM 78 O6 DG A 3 -5.264 -9.023 0.577 1.00 0.00 O ATOM 79 N1 DG A 3 -3.151 -8.927 -0.205 1.00 0.00 N ATOM 80 C2 DG A 3 -1.802 -8.667 -0.059 1.00 0.00 C ATOM 81 N2 DG A 3 -1.042 -8.905 -1.124 1.00 0.00 N ATOM 82 N3 DG A 3 -1.263 -8.151 1.063 1.00 0.00 N ATOM 83 C4 DG A 3 -2.175 -7.919 2.058 1.00 0.00 C ATOM 0 H5' DG A 3 0.715 -8.971 7.017 1.00 0.00 H new ATOM 0 H5'' DG A 3 1.422 -7.506 7.670 1.00 0.00 H new ATOM 0 H4' DG A 3 1.827 -7.575 5.315 1.00 0.00 H new ATOM 0 H3' DG A 3 0.575 -5.334 6.508 1.00 0.00 H new ATOM 0 H2' DG A 3 -1.566 -5.670 5.354 1.00 0.00 H new ATOM 0 H2'' DG A 3 -0.705 -4.772 4.119 1.00 0.00 H new ATOM 0 H1' DG A 3 -0.005 -6.763 2.965 1.00 0.00 H new ATOM 0 H8 DG A 3 -3.315 -6.888 4.884 1.00 0.00 H new ATOM 0 H1 DG A 3 -3.476 -9.287 -1.102 1.00 0.00 H new ATOM 0 H21 DG A 3 -0.037 -8.734 -1.082 1.00 0.00 H new ATOM 0 H22 DG A 3 -1.464 -9.259 -1.983 1.00 0.00 H new ATOM 95 P DA A 4 2.984 -4.636 5.583 1.00 0.00 P ATOM 96 OP1 DA A 4 3.222 -5.482 6.774 1.00 0.00 O ATOM 97 OP2 DA A 4 2.835 -3.173 5.738 1.00 0.00 O ATOM 98 O5' DA A 4 4.162 -4.912 4.514 1.00 0.00 O ATOM 99 C5' DA A 4 5.147 -5.915 4.710 1.00 0.00 C ATOM 100 C4' DA A 4 6.079 -6.018 3.490 1.00 0.00 C ATOM 101 O4' DA A 4 5.333 -6.498 2.380 1.00 0.00 O ATOM 102 C3' DA A 4 6.699 -4.666 3.100 1.00 0.00 C ATOM 103 O3' DA A 4 8.039 -4.839 2.654 1.00 0.00 O ATOM 104 C2' DA A 4 5.773 -4.236 1.966 1.00 0.00 C ATOM 105 C1' DA A 4 5.369 -5.559 1.322 1.00 0.00 C ATOM 106 N9 DA A 4 4.041 -5.440 0.675 1.00 0.00 N ATOM 107 C8 DA A 4 2.805 -5.402 1.273 1.00 0.00 C ATOM 108 N7 DA A 4 1.814 -5.215 0.449 1.00 0.00 N ATOM 109 C5 DA A 4 2.428 -5.112 -0.792 1.00 0.00 C ATOM 110 C6 DA A 4 1.945 -4.892 -2.109 1.00 0.00 C ATOM 111 N6 DA A 4 0.658 -4.702 -2.403 1.00 0.00 N ATOM 112 N1 DA A 4 2.825 -4.836 -3.132 1.00 0.00 N ATOM 113 C2 DA A 4 4.125 -4.989 -2.870 1.00 0.00 C ATOM 114 N3 DA A 4 4.705 -5.198 -1.683 1.00 0.00 N ATOM 115 C4 DA A 4 3.793 -5.250 -0.666 1.00 0.00 C ATOM 0 H5' DA A 4 4.663 -6.876 4.885 1.00 0.00 H new ATOM 0 H5'' DA A 4 5.732 -5.686 5.601 1.00 0.00 H new ATOM 0 H4' DA A 4 6.889 -6.696 3.759 1.00 0.00 H new ATOM 0 H3' DA A 4 6.768 -3.940 3.910 1.00 0.00 H new ATOM 0 H2' DA A 4 4.907 -3.689 2.339 1.00 0.00 H new ATOM 0 H2'' DA A 4 6.282 -3.582 1.257 1.00 0.00 H new ATOM 0 H1' DA A 4 6.068 -5.861 0.542 1.00 0.00 H new ATOM 0 H8 DA A 4 2.667 -5.518 2.338 1.00 0.00 H new ATOM 0 H61 DA A 4 0.373 -4.549 -3.370 1.00 0.00 H new ATOM 0 H62 DA A 4 -0.041 -4.710 -1.660 1.00 0.00 H new ATOM 0 H2 DA A 4 4.789 -4.938 -3.720 1.00 0.00 H new ATOM 127 P DA A 5 9.067 -3.595 2.467 1.00 0.00 P ATOM 128 OP1 DA A 5 10.434 -4.151 2.357 1.00 0.00 O ATOM 129 OP2 DA A 5 8.773 -2.587 3.509 1.00 0.00 O ATOM 130 O5' DA A 5 8.667 -2.959 1.037 1.00 0.00 O ATOM 131 C5' DA A 5 9.061 -3.563 -0.184 1.00 0.00 C ATOM 132 C4' DA A 5 8.352 -2.913 -1.382 1.00 0.00 C ATOM 133 O4' DA A 5 6.937 -2.967 -1.224 1.00 0.00 O ATOM 134 C3' DA A 5 8.753 -1.443 -1.598 1.00 0.00 C ATOM 135 O3' DA A 5 9.028 -1.222 -2.975 1.00 0.00 O ATOM 136 C2' DA A 5 7.506 -0.707 -1.116 1.00 0.00 C ATOM 137 C1' DA A 5 6.383 -1.685 -1.467 1.00 0.00 C ATOM 138 N9 DA A 5 5.162 -1.498 -0.642 1.00 0.00 N ATOM 139 C8 DA A 5 5.072 -1.323 0.718 1.00 0.00 C ATOM 140 N7 DA A 5 3.858 -1.333 1.190 1.00 0.00 N ATOM 141 C5 DA A 5 3.070 -1.491 0.056 1.00 0.00 C ATOM 142 C6 DA A 5 1.669 -1.556 -0.156 1.00 0.00 C ATOM 143 N6 DA A 5 0.779 -1.531 0.839 1.00 0.00 N ATOM 144 N1 DA A 5 1.196 -1.636 -1.419 1.00 0.00 N ATOM 145 C2 DA A 5 2.067 -1.667 -2.431 1.00 0.00 C ATOM 146 N3 DA A 5 3.404 -1.640 -2.363 1.00 0.00 N ATOM 147 C4 DA A 5 3.855 -1.550 -1.075 1.00 0.00 C ATOM 0 H5' DA A 5 8.831 -4.628 -0.156 1.00 0.00 H new ATOM 0 H5'' DA A 5 10.141 -3.473 -0.305 1.00 0.00 H new ATOM 0 H4' DA A 5 8.667 -3.487 -2.253 1.00 0.00 H new ATOM 0 H3' DA A 5 9.654 -1.120 -1.076 1.00 0.00 H new ATOM 0 H2' DA A 5 7.545 -0.502 -0.046 1.00 0.00 H new ATOM 0 H2'' DA A 5 7.381 0.251 -1.620 1.00 0.00 H new ATOM 0 H1' DA A 5 6.057 -1.535 -2.496 1.00 0.00 H new ATOM 0 H8 DA A 5 5.940 -1.188 1.346 1.00 0.00 H new ATOM 0 H61 DA A 5 -0.219 -1.581 0.632 1.00 0.00 H new ATOM 0 H62 DA A 5 1.097 -1.462 1.806 1.00 0.00 H new ATOM 0 H2 DA A 5 1.642 -1.720 -3.423 1.00 0.00 H new ATOM 159 P DT A 6 9.506 0.210 -3.562 1.00 0.00 P ATOM 160 OP1 DT A 6 10.506 -0.037 -4.624 1.00 0.00 O ATOM 161 OP2 DT A 6 9.839 1.104 -2.431 1.00 0.00 O ATOM 162 O5' DT A 6 8.153 0.754 -4.252 1.00 0.00 O ATOM 163 C5' DT A 6 7.657 0.189 -5.457 1.00 0.00 C ATOM 164 C4' DT A 6 6.240 0.700 -5.756 1.00 0.00 C ATOM 165 O4' DT A 6 5.377 0.526 -4.636 1.00 0.00 O ATOM 166 C3' DT A 6 6.215 2.195 -6.140 1.00 0.00 C ATOM 167 O3' DT A 6 5.409 2.354 -7.303 1.00 0.00 O ATOM 168 C2' DT A 6 5.581 2.814 -4.891 1.00 0.00 C ATOM 169 C1' DT A 6 4.606 1.704 -4.496 1.00 0.00 C ATOM 170 N1 DT A 6 4.042 1.824 -3.117 1.00 0.00 N ATOM 171 C2 DT A 6 2.653 1.715 -2.951 1.00 0.00 C ATOM 172 O2 DT A 6 1.856 1.645 -3.882 1.00 0.00 O ATOM 173 N3 DT A 6 2.184 1.675 -1.645 1.00 0.00 N ATOM 174 C4 DT A 6 2.966 1.734 -0.498 1.00 0.00 C ATOM 175 O4 DT A 6 2.428 1.632 0.601 1.00 0.00 O ATOM 176 C5 DT A 6 4.395 1.913 -0.744 1.00 0.00 C ATOM 177 C7 DT A 6 5.374 2.069 0.413 1.00 0.00 C ATOM 178 C6 DT A 6 4.873 1.943 -2.017 1.00 0.00 C ATOM 0 H5' DT A 6 7.647 -0.898 -5.377 1.00 0.00 H new ATOM 0 H5'' DT A 6 8.322 0.442 -6.283 1.00 0.00 H new ATOM 0 H4' DT A 6 5.893 0.107 -6.602 1.00 0.00 H new ATOM 0 H3' DT A 6 7.176 2.646 -6.387 1.00 0.00 H new ATOM 0 H2' DT A 6 6.315 3.018 -4.111 1.00 0.00 H new ATOM 0 H2'' DT A 6 5.074 3.755 -5.106 1.00 0.00 H new ATOM 0 H1' DT A 6 3.714 1.733 -5.122 1.00 0.00 H new ATOM 0 H3 DT A 6 1.175 1.595 -1.516 1.00 0.00 H new ATOM 0 H71 DT A 6 4.870 2.543 1.255 1.00 0.00 H new ATOM 0 H72 DT A 6 5.740 1.088 0.715 1.00 0.00 H new ATOM 0 H73 DT A 6 6.214 2.688 0.098 1.00 0.00 H new ATOM 0 H6 DT A 6 5.935 2.064 -2.174 1.00 0.00 H new ATOM 191 P DG A 7 5.228 3.767 -8.069 1.00 0.00 P ATOM 192 OP1 DG A 7 4.677 3.490 -9.414 1.00 0.00 O ATOM 193 OP2 DG A 7 6.484 4.538 -7.936 1.00 0.00 O ATOM 194 O5' DG A 7 4.091 4.511 -7.200 1.00 0.00 O ATOM 195 C5' DG A 7 2.742 4.068 -7.184 1.00 0.00 C ATOM 196 C4' DG A 7 1.953 4.858 -6.130 1.00 0.00 C ATOM 197 O4' DG A 7 2.483 4.620 -4.834 1.00 0.00 O ATOM 198 C3' DG A 7 1.999 6.377 -6.392 1.00 0.00 C ATOM 199 O3' DG A 7 0.700 6.944 -6.416 1.00 0.00 O ATOM 200 C2' DG A 7 2.782 6.900 -5.188 1.00 0.00 C ATOM 201 C1' DG A 7 2.484 5.840 -4.125 1.00 0.00 C ATOM 202 N9 DG A 7 3.480 5.767 -3.029 1.00 0.00 N ATOM 203 C8 DG A 7 4.833 5.994 -3.082 1.00 0.00 C ATOM 204 N7 DG A 7 5.455 5.842 -1.949 1.00 0.00 N ATOM 205 C5 DG A 7 4.448 5.465 -1.068 1.00 0.00 C ATOM 206 C6 DG A 7 4.502 5.184 0.338 1.00 0.00 C ATOM 207 O6 DG A 7 5.469 5.249 1.090 1.00 0.00 O ATOM 208 N1 DG A 7 3.270 4.807 0.871 1.00 0.00 N ATOM 209 C2 DG A 7 2.102 4.744 0.136 1.00 0.00 C ATOM 210 N2 DG A 7 1.014 4.366 0.799 1.00 0.00 N ATOM 211 N3 DG A 7 2.035 5.033 -1.178 1.00 0.00 N ATOM 212 C4 DG A 7 3.238 5.387 -1.727 1.00 0.00 C ATOM 0 H5' DG A 7 2.701 3.002 -6.960 1.00 0.00 H new ATOM 0 H5'' DG A 7 2.292 4.204 -8.167 1.00 0.00 H new ATOM 0 H4' DG A 7 0.920 4.517 -6.193 1.00 0.00 H new ATOM 0 H3' DG A 7 2.444 6.626 -7.356 1.00 0.00 H new ATOM 0 H2' DG A 7 3.849 6.977 -5.398 1.00 0.00 H new ATOM 0 H2'' DG A 7 2.445 7.890 -4.882 1.00 0.00 H new ATOM 0 H1' DG A 7 1.544 6.080 -3.628 1.00 0.00 H new ATOM 0 H8 DG A 7 5.341 6.276 -3.992 1.00 0.00 H new ATOM 0 H1 DG A 7 3.229 4.564 1.861 1.00 0.00 H new ATOM 0 H21 DG A 7 0.119 4.299 0.314 1.00 0.00 H new ATOM 0 H22 DG A 7 1.074 4.143 1.792 1.00 0.00 H new ATOM 224 P DA A 8 -0.225 6.861 -7.740 1.00 0.00 P ATOM 225 OP1 DA A 8 -0.219 5.463 -8.226 1.00 0.00 O ATOM 226 OP2 DA A 8 0.172 7.957 -8.650 1.00 0.00 O ATOM 227 O5' DA A 8 -1.690 7.192 -7.157 1.00 0.00 O ATOM 228 C5' DA A 8 -2.860 6.582 -7.673 1.00 0.00 C ATOM 229 C4' DA A 8 -4.107 7.106 -6.944 1.00 0.00 C ATOM 230 O4' DA A 8 -3.989 6.822 -5.554 1.00 0.00 O ATOM 231 C3' DA A 8 -4.279 8.626 -7.113 1.00 0.00 C ATOM 232 O3' DA A 8 -5.655 8.955 -7.266 1.00 0.00 O ATOM 233 C2' DA A 8 -3.705 9.143 -5.796 1.00 0.00 C ATOM 234 C1' DA A 8 -4.063 8.026 -4.817 1.00 0.00 C ATOM 235 N9 DA A 8 -3.134 7.999 -3.663 1.00 0.00 N ATOM 236 C8 DA A 8 -1.789 7.730 -3.662 1.00 0.00 C ATOM 237 N7 DA A 8 -1.223 7.811 -2.490 1.00 0.00 N ATOM 238 C5 DA A 8 -2.266 8.170 -1.643 1.00 0.00 C ATOM 239 C6 DA A 8 -2.358 8.432 -0.251 1.00 0.00 C ATOM 240 N6 DA A 8 -1.323 8.390 0.589 1.00 0.00 N ATOM 241 N1 DA A 8 -3.555 8.764 0.279 1.00 0.00 N ATOM 242 C2 DA A 8 -4.617 8.838 -0.525 1.00 0.00 C ATOM 243 N3 DA A 8 -4.665 8.616 -1.842 1.00 0.00 N ATOM 244 C4 DA A 8 -3.441 8.284 -2.353 1.00 0.00 C ATOM 0 H5' DA A 8 -2.793 5.500 -7.560 1.00 0.00 H new ATOM 0 H5'' DA A 8 -2.943 6.786 -8.740 1.00 0.00 H new ATOM 0 H4' DA A 8 -4.975 6.610 -7.379 1.00 0.00 H new ATOM 0 H3' DA A 8 -3.792 9.050 -7.991 1.00 0.00 H new ATOM 0 H2' DA A 8 -2.628 9.300 -5.857 1.00 0.00 H new ATOM 0 H2'' DA A 8 -4.150 10.095 -5.506 1.00 0.00 H new ATOM 0 H1' DA A 8 -5.058 8.177 -4.399 1.00 0.00 H new ATOM 0 H8 DA A 8 -1.244 7.472 -4.558 1.00 0.00 H new ATOM 0 H61 DA A 8 -1.462 8.590 1.580 1.00 0.00 H new ATOM 0 H62 DA A 8 -0.393 8.158 0.241 1.00 0.00 H new ATOM 0 H2 DA A 8 -5.550 9.110 -0.055 1.00 0.00 H new ATOM 256 P DG A 9 -6.163 10.455 -7.621 1.00 0.00 P ATOM 257 OP1 DG A 9 -7.498 10.346 -8.250 1.00 0.00 O ATOM 258 OP2 DG A 9 -5.076 11.166 -8.331 1.00 0.00 O ATOM 259 O5' DG A 9 -6.346 11.145 -6.173 1.00 0.00 O ATOM 260 C5' DG A 9 -7.412 10.788 -5.309 1.00 0.00 C ATOM 261 C4' DG A 9 -7.221 11.388 -3.908 1.00 0.00 C ATOM 262 O4' DG A 9 -5.943 11.033 -3.385 1.00 0.00 O ATOM 263 C3' DG A 9 -7.333 12.924 -3.873 1.00 0.00 C ATOM 264 O3' DG A 9 -8.077 13.305 -2.720 1.00 0.00 O ATOM 265 C2' DG A 9 -5.863 13.324 -3.778 1.00 0.00 C ATOM 266 C1' DG A 9 -5.309 12.201 -2.899 1.00 0.00 C ATOM 267 N9 DG A 9 -3.832 12.073 -2.961 1.00 0.00 N ATOM 268 C8 DG A 9 -3.014 12.102 -4.062 1.00 0.00 C ATOM 269 N7 DG A 9 -1.754 11.883 -3.807 1.00 0.00 N ATOM 270 C5 DG A 9 -1.718 11.721 -2.426 1.00 0.00 C ATOM 271 C6 DG A 9 -0.608 11.500 -1.543 1.00 0.00 C ATOM 272 O6 DG A 9 0.575 11.357 -1.837 1.00 0.00 O ATOM 273 N1 DG A 9 -0.973 11.467 -0.196 1.00 0.00 N ATOM 274 C2 DG A 9 -2.270 11.640 0.253 1.00 0.00 C ATOM 275 N2 DG A 9 -2.463 11.591 1.569 1.00 0.00 N ATOM 276 N3 DG A 9 -3.316 11.845 -0.570 1.00 0.00 N ATOM 277 C4 DG A 9 -2.983 11.873 -1.895 1.00 0.00 C ATOM 0 H5' DG A 9 -7.476 9.702 -5.236 1.00 0.00 H new ATOM 0 H5'' DG A 9 -8.356 11.135 -5.730 1.00 0.00 H new ATOM 0 H4' DG A 9 -8.029 10.975 -3.304 1.00 0.00 H new ATOM 0 H3' DG A 9 -7.843 13.389 -4.717 1.00 0.00 H new ATOM 0 H2' DG A 9 -5.381 13.358 -4.755 1.00 0.00 H new ATOM 0 H2'' DG A 9 -5.732 14.306 -3.323 1.00 0.00 H new ATOM 0 H1' DG A 9 -5.512 12.396 -1.846 1.00 0.00 H new ATOM 0 H8 DG A 9 -3.384 12.291 -5.059 1.00 0.00 H new ATOM 0 H1 DG A 9 -0.242 11.306 0.497 1.00 0.00 H new ATOM 0 H21 DG A 9 -3.401 11.713 1.952 1.00 0.00 H new ATOM 0 H22 DG A 9 -1.673 11.432 2.195 1.00 0.00 H new ATOM 289 P DC A 10 -8.410 14.844 -2.337 1.00 0.00 P ATOM 290 OP1 DC A 10 -9.829 14.919 -1.924 1.00 0.00 O ATOM 291 OP2 DC A 10 -7.912 15.728 -3.414 1.00 0.00 O ATOM 292 O5' DC A 10 -7.491 15.082 -1.027 1.00 0.00 O ATOM 293 C5' DC A 10 -7.815 14.500 0.227 1.00 0.00 C ATOM 294 C4' DC A 10 -6.696 14.746 1.252 1.00 0.00 C ATOM 295 O4' DC A 10 -5.449 14.289 0.740 1.00 0.00 O ATOM 296 C3' DC A 10 -6.530 16.234 1.617 1.00 0.00 C ATOM 297 O3' DC A 10 -6.423 16.396 3.018 1.00 0.00 O ATOM 298 C2' DC A 10 -5.201 16.601 0.964 1.00 0.00 C ATOM 299 C1' DC A 10 -4.462 15.261 1.030 1.00 0.00 C ATOM 300 N1 DC A 10 -3.323 15.170 0.068 1.00 0.00 N ATOM 301 C2 DC A 10 -2.038 14.873 0.551 1.00 0.00 C ATOM 302 O2 DC A 10 -1.822 14.723 1.750 1.00 0.00 O ATOM 303 N3 DC A 10 -1.010 14.743 -0.341 1.00 0.00 N ATOM 304 C4 DC A 10 -1.213 14.901 -1.657 1.00 0.00 C ATOM 305 N4 DC A 10 -0.177 14.738 -2.476 1.00 0.00 N ATOM 306 C5 DC A 10 -2.514 15.215 -2.184 1.00 0.00 C ATOM 307 C6 DC A 10 -3.528 15.336 -1.288 1.00 0.00 C ATOM 0 H5' DC A 10 -7.973 13.428 0.105 1.00 0.00 H new ATOM 0 H5'' DC A 10 -8.751 14.920 0.596 1.00 0.00 H new ATOM 0 H4' DC A 10 -6.986 14.197 2.148 1.00 0.00 H new ATOM 0 H3' DC A 10 -7.371 16.846 1.291 1.00 0.00 H new ATOM 0 H2' DC A 10 -5.328 16.952 -0.060 1.00 0.00 H new ATOM 0 H2'' DC A 10 -4.678 17.388 1.508 1.00 0.00 H new ATOM 0 HO3' DC A 10 -6.317 17.347 3.230 1.00 0.00 H new ATOM 0 H1' DC A 10 -4.004 15.121 2.009 1.00 0.00 H new ATOM 0 H41 DC A 10 -0.300 14.851 -3.482 1.00 0.00 H new ATOM 0 H42 DC A 10 0.740 14.500 -2.098 1.00 0.00 H new ATOM 0 H5 DC A 10 -2.677 15.348 -3.243 1.00 0.00 H new ATOM 0 H6 DC A 10 -4.520 15.568 -1.645 1.00 0.00 H new TER 320 DC A 10 ATOM 321 O5' DG B 11 9.362 15.531 3.746 1.00 0.00 O ATOM 322 C5' DG B 11 8.889 16.236 4.875 1.00 0.00 C ATOM 323 C4' DG B 11 7.475 15.781 5.269 1.00 0.00 C ATOM 324 O4' DG B 11 6.571 16.044 4.202 1.00 0.00 O ATOM 325 C3' DG B 11 7.391 14.273 5.586 1.00 0.00 C ATOM 326 O3' DG B 11 6.596 14.077 6.751 1.00 0.00 O ATOM 327 C2' DG B 11 6.703 13.735 4.333 1.00 0.00 C ATOM 328 C1' DG B 11 5.767 14.896 4.019 1.00 0.00 C ATOM 329 N9 DG B 11 5.217 14.832 2.647 1.00 0.00 N ATOM 330 C8 DG B 11 5.880 14.910 1.448 1.00 0.00 C ATOM 331 N7 DG B 11 5.102 14.868 0.402 1.00 0.00 N ATOM 332 C5 DG B 11 3.823 14.747 0.941 1.00 0.00 C ATOM 333 C6 DG B 11 2.539 14.646 0.303 1.00 0.00 C ATOM 334 O6 DG B 11 2.288 14.665 -0.899 1.00 0.00 O ATOM 335 N1 DG B 11 1.484 14.500 1.207 1.00 0.00 N ATOM 336 C2 DG B 11 1.648 14.443 2.579 1.00 0.00 C ATOM 337 N2 DG B 11 0.561 14.238 3.318 1.00 0.00 N ATOM 338 N3 DG B 11 2.845 14.549 3.183 1.00 0.00 N ATOM 339 C4 DG B 11 3.890 14.702 2.317 1.00 0.00 C ATOM 0 H5' DG B 11 8.883 17.305 4.662 1.00 0.00 H new ATOM 0 H5'' DG B 11 9.569 16.082 5.713 1.00 0.00 H new ATOM 0 H4' DG B 11 7.216 16.339 6.169 1.00 0.00 H new ATOM 0 H3' DG B 11 8.344 13.786 5.793 1.00 0.00 H new ATOM 0 H2' DG B 11 7.407 13.538 3.524 1.00 0.00 H new ATOM 0 H2'' DG B 11 6.165 12.806 4.521 1.00 0.00 H new ATOM 0 HO5' DG B 11 10.263 15.844 3.519 1.00 0.00 H new ATOM 0 H1' DG B 11 4.886 14.888 4.661 1.00 0.00 H new ATOM 0 H8 DG B 11 6.954 14.999 1.377 1.00 0.00 H new ATOM 0 H1 DG B 11 0.537 14.431 0.833 1.00 0.00 H new ATOM 0 H21 DG B 11 0.637 14.189 4.334 1.00 0.00 H new ATOM 0 H22 DG B 11 -0.348 14.130 2.869 1.00 0.00 H new ATOM 352 P DC B 12 6.343 12.619 7.410 1.00 0.00 P ATOM 353 OP1 DC B 12 6.343 12.781 8.880 1.00 0.00 O ATOM 354 OP2 DC B 12 7.274 11.655 6.782 1.00 0.00 O ATOM 355 O5' DC B 12 4.840 12.231 6.941 1.00 0.00 O ATOM 356 C5' DC B 12 3.687 12.773 7.570 1.00 0.00 C ATOM 357 C4' DC B 12 2.397 12.135 7.026 1.00 0.00 C ATOM 358 O4' DC B 12 2.256 12.373 5.628 1.00 0.00 O ATOM 359 C3' DC B 12 2.356 10.608 7.246 1.00 0.00 C ATOM 360 O3' DC B 12 1.061 10.234 7.705 1.00 0.00 O ATOM 361 C2' DC B 12 2.643 10.101 5.833 1.00 0.00 C ATOM 362 C1' DC B 12 1.906 11.151 5.003 1.00 0.00 C ATOM 363 N1 DC B 12 2.278 11.154 3.556 1.00 0.00 N ATOM 364 C2 DC B 12 1.263 11.093 2.584 1.00 0.00 C ATOM 365 O2 DC B 12 0.083 10.948 2.889 1.00 0.00 O ATOM 366 N3 DC B 12 1.600 11.223 1.266 1.00 0.00 N ATOM 367 C4 DC B 12 2.875 11.405 0.895 1.00 0.00 C ATOM 368 N4 DC B 12 3.132 11.588 -0.398 1.00 0.00 N ATOM 369 C5 DC B 12 3.940 11.450 1.860 1.00 0.00 C ATOM 370 C6 DC B 12 3.593 11.323 3.166 1.00 0.00 C ATOM 0 H5' DC B 12 3.657 13.851 7.410 1.00 0.00 H new ATOM 0 H5'' DC B 12 3.748 12.612 8.646 1.00 0.00 H new ATOM 0 H4' DC B 12 1.582 12.601 7.580 1.00 0.00 H new ATOM 0 H3' DC B 12 3.049 10.214 7.989 1.00 0.00 H new ATOM 0 H2' DC B 12 3.710 10.072 5.612 1.00 0.00 H new ATOM 0 H2'' DC B 12 2.256 9.096 5.667 1.00 0.00 H new ATOM 0 H1' DC B 12 0.834 10.956 4.986 1.00 0.00 H new ATOM 0 H41 DC B 12 4.092 11.729 -0.712 1.00 0.00 H new ATOM 0 H42 DC B 12 2.369 11.587 -1.075 1.00 0.00 H new ATOM 0 H5 DC B 12 4.969 11.579 1.559 1.00 0.00 H new ATOM 0 H6 DC B 12 4.365 11.355 3.921 1.00 0.00 H new ATOM 382 P DG B 13 0.675 8.715 8.110 1.00 0.00 P ATOM 383 OP1 DG B 13 -0.542 8.763 8.950 1.00 0.00 O ATOM 384 OP2 DG B 13 1.891 8.042 8.619 1.00 0.00 O ATOM 385 O5' DG B 13 0.287 8.042 6.694 1.00 0.00 O ATOM 386 C5' DG B 13 -0.922 8.349 6.019 1.00 0.00 C ATOM 387 C4' DG B 13 -0.968 7.641 4.658 1.00 0.00 C ATOM 388 O4' DG B 13 0.050 8.143 3.800 1.00 0.00 O ATOM 389 C3' DG B 13 -0.768 6.116 4.774 1.00 0.00 C ATOM 390 O3' DG B 13 -1.759 5.408 4.047 1.00 0.00 O ATOM 391 C2' DG B 13 0.591 5.913 4.109 1.00 0.00 C ATOM 392 C1' DG B 13 0.617 7.058 3.096 1.00 0.00 C ATOM 393 N9 DG B 13 1.977 7.419 2.625 1.00 0.00 N ATOM 394 C8 DG B 13 3.148 7.439 3.340 1.00 0.00 C ATOM 395 N7 DG B 13 4.189 7.842 2.670 1.00 0.00 N ATOM 396 C5 DG B 13 3.684 8.101 1.401 1.00 0.00 C ATOM 397 C6 DG B 13 4.356 8.524 0.205 1.00 0.00 C ATOM 398 O6 DG B 13 5.541 8.803 0.056 1.00 0.00 O ATOM 399 N1 DG B 13 3.509 8.605 -0.900 1.00 0.00 N ATOM 400 C2 DG B 13 2.152 8.352 -0.850 1.00 0.00 C ATOM 401 N2 DG B 13 1.494 8.465 -2.000 1.00 0.00 N ATOM 402 N3 DG B 13 1.511 7.959 0.268 1.00 0.00 N ATOM 403 C4 DG B 13 2.328 7.846 1.361 1.00 0.00 C ATOM 0 H5' DG B 13 -1.004 9.427 5.879 1.00 0.00 H new ATOM 0 H5'' DG B 13 -1.773 8.041 6.626 1.00 0.00 H new ATOM 0 H4' DG B 13 -1.960 7.839 4.251 1.00 0.00 H new ATOM 0 H3' DG B 13 -0.830 5.758 5.802 1.00 0.00 H new ATOM 0 H2' DG B 13 1.411 5.981 4.824 1.00 0.00 H new ATOM 0 H2'' DG B 13 0.669 4.939 3.627 1.00 0.00 H new ATOM 0 H1' DG B 13 0.082 6.776 2.189 1.00 0.00 H new ATOM 0 H8 DG B 13 3.202 7.144 4.377 1.00 0.00 H new ATOM 0 H1 DG B 13 3.916 8.867 -1.798 1.00 0.00 H new ATOM 0 H21 DG B 13 0.489 8.292 -2.032 1.00 0.00 H new ATOM 0 H22 DG B 13 1.994 8.725 -2.850 1.00 0.00 H new ATOM 415 P DA B 14 -3.147 4.947 4.735 1.00 0.00 P ATOM 416 OP1 DA B 14 -3.487 5.919 5.799 1.00 0.00 O ATOM 417 OP2 DA B 14 -3.029 3.510 5.063 1.00 0.00 O ATOM 418 O5' DA B 14 -4.216 5.104 3.536 1.00 0.00 O ATOM 419 C5' DA B 14 -5.208 6.118 3.529 1.00 0.00 C ATOM 420 C4' DA B 14 -6.025 6.081 2.225 1.00 0.00 C ATOM 421 O4' DA B 14 -5.178 6.436 1.141 1.00 0.00 O ATOM 422 C3' DA B 14 -6.616 4.692 1.934 1.00 0.00 C ATOM 423 O3' DA B 14 -7.908 4.811 1.347 1.00 0.00 O ATOM 424 C2' DA B 14 -5.593 4.139 0.946 1.00 0.00 C ATOM 425 C1' DA B 14 -5.122 5.383 0.198 1.00 0.00 C ATOM 426 N9 DA B 14 -3.740 5.195 -0.306 1.00 0.00 N ATOM 427 C8 DA B 14 -2.565 5.228 0.404 1.00 0.00 C ATOM 428 N7 DA B 14 -1.504 4.952 -0.298 1.00 0.00 N ATOM 429 C5 DA B 14 -2.001 4.708 -1.571 1.00 0.00 C ATOM 430 C6 DA B 14 -1.401 4.343 -2.805 1.00 0.00 C ATOM 431 N6 DA B 14 -0.093 4.128 -2.955 1.00 0.00 N ATOM 432 N1 DA B 14 -2.183 4.170 -3.891 1.00 0.00 N ATOM 433 C2 DA B 14 -3.501 4.347 -3.770 1.00 0.00 C ATOM 434 N3 DA B 14 -4.186 4.687 -2.673 1.00 0.00 N ATOM 435 C4 DA B 14 -3.371 4.855 -1.588 1.00 0.00 C ATOM 0 H5' DA B 14 -4.736 7.094 3.639 1.00 0.00 H new ATOM 0 H5'' DA B 14 -5.873 5.987 4.383 1.00 0.00 H new ATOM 0 H4' DA B 14 -6.852 6.782 2.342 1.00 0.00 H new ATOM 0 H3' DA B 14 -6.765 4.062 2.811 1.00 0.00 H new ATOM 0 H2' DA B 14 -4.769 3.640 1.456 1.00 0.00 H new ATOM 0 H2'' DA B 14 -6.039 3.408 0.271 1.00 0.00 H new ATOM 0 H1' DA B 14 -5.744 5.593 -0.672 1.00 0.00 H new ATOM 0 H8 DA B 14 -2.525 5.463 1.457 1.00 0.00 H new ATOM 0 H61 DA B 14 0.280 3.868 -3.868 1.00 0.00 H new ATOM 0 H62 DA B 14 0.534 4.224 -2.157 1.00 0.00 H new ATOM 0 H2 DA B 14 -4.084 4.197 -4.667 1.00 0.00 H new ATOM 447 P DA B 15 -8.924 3.551 1.208 1.00 0.00 P ATOM 448 OP1 DA B 15 -10.270 4.088 0.908 1.00 0.00 O ATOM 449 OP2 DA B 15 -8.737 2.668 2.380 1.00 0.00 O ATOM 450 O5' DA B 15 -8.399 2.757 -0.098 1.00 0.00 O ATOM 451 C5' DA B 15 -8.674 3.216 -1.411 1.00 0.00 C ATOM 452 C4' DA B 15 -7.861 2.435 -2.455 1.00 0.00 C ATOM 453 O4' DA B 15 -6.466 2.510 -2.173 1.00 0.00 O ATOM 454 C3' DA B 15 -8.252 0.948 -2.538 1.00 0.00 C ATOM 455 O3' DA B 15 -8.400 0.569 -3.900 1.00 0.00 O ATOM 456 C2' DA B 15 -7.062 0.275 -1.859 1.00 0.00 C ATOM 457 C1' DA B 15 -5.903 1.210 -2.213 1.00 0.00 C ATOM 458 N9 DA B 15 -4.767 1.123 -1.258 1.00 0.00 N ATOM 459 C8 DA B 15 -4.808 1.105 0.115 1.00 0.00 C ATOM 460 N7 DA B 15 -3.644 1.175 0.696 1.00 0.00 N ATOM 461 C5 DA B 15 -2.751 1.206 -0.369 1.00 0.00 C ATOM 462 C6 DA B 15 -1.336 1.255 -0.452 1.00 0.00 C ATOM 463 N6 DA B 15 -0.544 1.352 0.618 1.00 0.00 N ATOM 464 N1 DA B 15 -0.744 1.190 -1.665 1.00 0.00 N ATOM 465 C2 DA B 15 -1.515 1.099 -2.752 1.00 0.00 C ATOM 466 N3 DA B 15 -2.852 1.074 -2.810 1.00 0.00 N ATOM 467 C4 DA B 15 -3.424 1.131 -1.569 1.00 0.00 C ATOM 0 H5' DA B 15 -8.440 4.278 -1.484 1.00 0.00 H new ATOM 0 H5'' DA B 15 -9.738 3.109 -1.621 1.00 0.00 H new ATOM 0 H4' DA B 15 -8.088 2.905 -3.412 1.00 0.00 H new ATOM 0 H3' DA B 15 -9.200 0.685 -2.069 1.00 0.00 H new ATOM 0 H2' DA B 15 -7.203 0.194 -0.781 1.00 0.00 H new ATOM 0 H2'' DA B 15 -6.898 -0.735 -2.236 1.00 0.00 H new ATOM 0 H1' DA B 15 -5.483 0.943 -3.183 1.00 0.00 H new ATOM 0 H8 DA B 15 -5.733 1.038 0.669 1.00 0.00 H new ATOM 0 H61 DA B 15 0.469 1.384 0.502 1.00 0.00 H new ATOM 0 H62 DA B 15 -0.952 1.395 1.552 1.00 0.00 H new ATOM 0 H2 DA B 15 -0.997 1.038 -3.698 1.00 0.00 H new ATOM 479 P DT B 16 -8.832 -0.923 -4.359 1.00 0.00 P ATOM 480 OP1 DT B 16 -9.724 -0.804 -5.533 1.00 0.00 O ATOM 481 OP2 DT B 16 -9.279 -1.680 -3.168 1.00 0.00 O ATOM 482 O5' DT B 16 -7.424 -1.541 -4.849 1.00 0.00 O ATOM 483 C5' DT B 16 -6.814 -1.123 -6.060 1.00 0.00 C ATOM 484 C4' DT B 16 -5.379 -1.660 -6.163 1.00 0.00 C ATOM 485 O4' DT B 16 -4.624 -1.353 -4.994 1.00 0.00 O ATOM 486 C3' DT B 16 -5.327 -3.189 -6.367 1.00 0.00 C ATOM 487 O3' DT B 16 -4.418 -3.475 -7.424 1.00 0.00 O ATOM 488 C2' DT B 16 -4.816 -3.657 -5.002 1.00 0.00 C ATOM 489 C1' DT B 16 -3.875 -2.504 -4.649 1.00 0.00 C ATOM 490 N1 DT B 16 -3.440 -2.462 -3.220 1.00 0.00 N ATOM 491 C2 DT B 16 -2.071 -2.328 -2.942 1.00 0.00 C ATOM 492 O2 DT B 16 -1.192 -2.361 -3.799 1.00 0.00 O ATOM 493 N3 DT B 16 -1.722 -2.137 -1.612 1.00 0.00 N ATOM 494 C4 DT B 16 -2.605 -2.066 -0.542 1.00 0.00 C ATOM 495 O4 DT B 16 -2.170 -1.835 0.582 1.00 0.00 O ATOM 496 C5 DT B 16 -4.007 -2.276 -0.895 1.00 0.00 C ATOM 497 C7 DT B 16 -5.088 -2.298 0.178 1.00 0.00 C ATOM 498 C6 DT B 16 -4.368 -2.455 -2.194 1.00 0.00 C ATOM 0 H5' DT B 16 -6.804 -0.034 -6.110 1.00 0.00 H new ATOM 0 H5'' DT B 16 -7.401 -1.476 -6.908 1.00 0.00 H new ATOM 0 H4' DT B 16 -4.950 -1.168 -7.036 1.00 0.00 H new ATOM 0 H3' DT B 16 -6.263 -3.672 -6.647 1.00 0.00 H new ATOM 0 H2' DT B 16 -5.620 -3.774 -4.276 1.00 0.00 H new ATOM 0 H2'' DT B 16 -4.297 -4.614 -5.059 1.00 0.00 H new ATOM 0 H1' DT B 16 -2.930 -2.601 -5.183 1.00 0.00 H new ATOM 0 H3 DT B 16 -0.729 -2.040 -1.402 1.00 0.00 H new ATOM 0 H71 DT B 16 -4.666 -2.669 1.112 1.00 0.00 H new ATOM 0 H72 DT B 16 -5.472 -1.289 0.329 1.00 0.00 H new ATOM 0 H73 DT B 16 -5.901 -2.952 -0.138 1.00 0.00 H new ATOM 0 H6 DT B 16 -5.412 -2.596 -2.432 1.00 0.00 H new ATOM 511 P DG B 17 -4.172 -4.966 -8.002 1.00 0.00 P ATOM 512 OP1 DG B 17 -3.501 -4.843 -9.315 1.00 0.00 O ATOM 513 OP2 DG B 17 -5.437 -5.726 -7.893 1.00 0.00 O ATOM 514 O5' DG B 17 -3.119 -5.593 -6.954 1.00 0.00 O ATOM 515 C5' DG B 17 -1.776 -5.143 -6.871 1.00 0.00 C ATOM 516 C4' DG B 17 -1.087 -5.801 -5.667 1.00 0.00 C ATOM 517 O4' DG B 17 -1.728 -5.418 -4.460 1.00 0.00 O ATOM 518 C3' DG B 17 -1.118 -7.341 -5.755 1.00 0.00 C ATOM 519 O3' DG B 17 0.174 -7.900 -5.591 1.00 0.00 O ATOM 520 C2' DG B 17 -2.013 -7.724 -4.577 1.00 0.00 C ATOM 521 C1' DG B 17 -1.806 -6.548 -3.619 1.00 0.00 C ATOM 522 N9 DG B 17 -2.900 -6.354 -2.636 1.00 0.00 N ATOM 523 C8 DG B 17 -4.243 -6.593 -2.788 1.00 0.00 C ATOM 524 N7 DG B 17 -4.967 -6.316 -1.742 1.00 0.00 N ATOM 525 C5 DG B 17 -4.044 -5.838 -0.820 1.00 0.00 C ATOM 526 C6 DG B 17 -4.227 -5.402 0.535 1.00 0.00 C ATOM 527 O6 DG B 17 -5.261 -5.388 1.197 1.00 0.00 O ATOM 528 N1 DG B 17 -3.048 -4.962 1.135 1.00 0.00 N ATOM 529 C2 DG B 17 -1.816 -4.978 0.511 1.00 0.00 C ATOM 530 N2 DG B 17 -0.793 -4.524 1.227 1.00 0.00 N ATOM 531 N3 DG B 17 -1.628 -5.412 -0.751 1.00 0.00 N ATOM 532 C4 DG B 17 -2.777 -5.830 -1.367 1.00 0.00 C ATOM 0 H5' DG B 17 -1.751 -4.058 -6.769 1.00 0.00 H new ATOM 0 H5'' DG B 17 -1.242 -5.390 -7.788 1.00 0.00 H new ATOM 0 H4' DG B 17 -0.051 -5.464 -5.677 1.00 0.00 H new ATOM 0 H3' DG B 17 -1.472 -7.702 -6.720 1.00 0.00 H new ATOM 0 H2' DG B 17 -3.056 -7.828 -4.875 1.00 0.00 H new ATOM 0 H2'' DG B 17 -1.714 -8.672 -4.129 1.00 0.00 H new ATOM 0 H1' DG B 17 -0.918 -6.726 -3.012 1.00 0.00 H new ATOM 0 H8 DG B 17 -4.666 -6.980 -3.703 1.00 0.00 H new ATOM 0 H1 DG B 17 -3.098 -4.608 2.090 1.00 0.00 H new ATOM 0 H21 DG B 17 0.144 -4.509 0.825 1.00 0.00 H new ATOM 0 H22 DG B 17 -0.945 -4.191 2.179 1.00 0.00 H new ATOM 544 P DA B 18 1.216 -7.975 -6.825 1.00 0.00 P ATOM 545 OP1 DA B 18 1.257 -6.650 -7.483 1.00 0.00 O ATOM 546 OP2 DA B 18 0.904 -9.182 -7.622 1.00 0.00 O ATOM 547 O5' DA B 18 2.620 -8.215 -6.073 1.00 0.00 O ATOM 548 C5' DA B 18 3.832 -7.651 -6.544 1.00 0.00 C ATOM 549 C4' DA B 18 5.005 -8.078 -5.647 1.00 0.00 C ATOM 550 O4' DA B 18 4.758 -7.641 -4.316 1.00 0.00 O ATOM 551 C3' DA B 18 5.189 -9.605 -5.629 1.00 0.00 C ATOM 552 O3' DA B 18 6.573 -9.936 -5.620 1.00 0.00 O ATOM 553 C2' DA B 18 4.496 -9.977 -4.320 1.00 0.00 C ATOM 554 C1' DA B 18 4.762 -8.754 -3.444 1.00 0.00 C ATOM 555 N9 DA B 18 3.729 -8.606 -2.392 1.00 0.00 N ATOM 556 C8 DA B 18 2.390 -8.349 -2.547 1.00 0.00 C ATOM 557 N7 DA B 18 1.716 -8.304 -1.433 1.00 0.00 N ATOM 558 C5 DA B 18 2.674 -8.555 -0.457 1.00 0.00 C ATOM 559 C6 DA B 18 2.635 -8.658 0.959 1.00 0.00 C ATOM 560 N6 DA B 18 1.525 -8.531 1.688 1.00 0.00 N ATOM 561 N1 DA B 18 3.776 -8.918 1.632 1.00 0.00 N ATOM 562 C2 DA B 18 4.909 -9.075 0.944 1.00 0.00 C ATOM 563 N3 DA B 18 5.080 -9.003 -0.378 1.00 0.00 N ATOM 564 C4 DA B 18 3.911 -8.739 -1.036 1.00 0.00 C ATOM 0 H5' DA B 18 3.753 -6.564 -6.558 1.00 0.00 H new ATOM 0 H5'' DA B 18 4.015 -7.971 -7.570 1.00 0.00 H new ATOM 0 H4' DA B 18 5.911 -7.626 -6.050 1.00 0.00 H new ATOM 0 H3' DA B 18 4.784 -10.130 -6.494 1.00 0.00 H new ATOM 0 H2' DA B 18 3.429 -10.151 -4.461 1.00 0.00 H new ATOM 0 H2'' DA B 18 4.912 -10.886 -3.885 1.00 0.00 H new ATOM 0 H1' DA B 18 5.714 -8.848 -2.921 1.00 0.00 H new ATOM 0 H8 DA B 18 1.932 -8.197 -3.513 1.00 0.00 H new ATOM 0 H61 DA B 18 1.569 -8.617 2.703 1.00 0.00 H new ATOM 0 H62 DA B 18 0.632 -8.348 1.230 1.00 0.00 H new ATOM 0 H2 DA B 18 5.794 -9.286 1.527 1.00 0.00 H new ATOM 576 P DG B 19 7.109 -11.462 -5.760 1.00 0.00 P ATOM 577 OP1 DG B 19 8.497 -11.411 -6.269 1.00 0.00 O ATOM 578 OP2 DG B 19 6.092 -12.255 -6.487 1.00 0.00 O ATOM 579 O5' DG B 19 7.152 -11.987 -4.234 1.00 0.00 O ATOM 580 C5' DG B 19 8.129 -11.525 -3.317 1.00 0.00 C ATOM 581 C4' DG B 19 7.808 -11.973 -1.884 1.00 0.00 C ATOM 582 O4' DG B 19 6.489 -11.572 -1.522 1.00 0.00 O ATOM 583 C3' DG B 19 7.910 -13.496 -1.675 1.00 0.00 C ATOM 584 O3' DG B 19 8.545 -13.748 -0.426 1.00 0.00 O ATOM 585 C2' DG B 19 6.436 -13.892 -1.671 1.00 0.00 C ATOM 586 C1' DG B 19 5.809 -12.685 -0.972 1.00 0.00 C ATOM 587 N9 DG B 19 4.345 -12.573 -1.183 1.00 0.00 N ATOM 588 C8 DG B 19 3.631 -12.729 -2.345 1.00 0.00 C ATOM 589 N7 DG B 19 2.355 -12.489 -2.233 1.00 0.00 N ATOM 590 C5 DG B 19 2.193 -12.173 -0.888 1.00 0.00 C ATOM 591 C6 DG B 19 1.008 -11.859 -0.141 1.00 0.00 C ATOM 592 O6 DG B 19 -0.141 -11.754 -0.558 1.00 0.00 O ATOM 593 N1 DG B 19 1.248 -11.674 1.221 1.00 0.00 N ATOM 594 C2 DG B 19 2.496 -11.789 1.805 1.00 0.00 C ATOM 595 N2 DG B 19 2.567 -11.589 3.118 1.00 0.00 N ATOM 596 N3 DG B 19 3.613 -12.079 1.110 1.00 0.00 N ATOM 597 C4 DG B 19 3.402 -12.258 -0.229 1.00 0.00 C ATOM 0 H5' DG B 19 8.182 -10.437 -3.357 1.00 0.00 H new ATOM 0 H5'' DG B 19 9.110 -11.902 -3.607 1.00 0.00 H new ATOM 0 H4' DG B 19 8.559 -11.493 -1.256 1.00 0.00 H new ATOM 0 H3' DG B 19 8.493 -14.045 -2.415 1.00 0.00 H new ATOM 0 H2' DG B 19 6.045 -14.034 -2.678 1.00 0.00 H new ATOM 0 H2'' DG B 19 6.260 -14.820 -1.127 1.00 0.00 H new ATOM 0 H1' DG B 19 5.915 -12.764 0.110 1.00 0.00 H new ATOM 0 H8 DG B 19 4.090 -13.026 -3.276 1.00 0.00 H new ATOM 0 H1 DG B 19 0.457 -11.440 1.821 1.00 0.00 H new ATOM 0 H21 DG B 19 3.464 -11.662 3.597 1.00 0.00 H new ATOM 0 H22 DG B 19 1.724 -11.362 3.646 1.00 0.00 H new ATOM 609 P DC B 20 8.829 -15.236 0.151 1.00 0.00 P ATOM 610 OP1 DC B 20 10.204 -15.263 0.697 1.00 0.00 O ATOM 611 OP2 DC B 20 8.423 -16.232 -0.865 1.00 0.00 O ATOM 612 O5' DC B 20 7.792 -15.331 1.389 1.00 0.00 O ATOM 613 C5' DC B 20 8.008 -14.617 2.598 1.00 0.00 C ATOM 614 C4' DC B 20 6.803 -14.757 3.542 1.00 0.00 C ATOM 615 O4' DC B 20 5.608 -14.360 2.879 1.00 0.00 O ATOM 616 C3' DC B 20 6.598 -16.198 4.047 1.00 0.00 C ATOM 617 O3' DC B 20 6.383 -16.217 5.445 1.00 0.00 O ATOM 618 C2' DC B 20 5.324 -16.635 3.330 1.00 0.00 C ATOM 619 C1' DC B 20 4.592 -15.298 3.180 1.00 0.00 C ATOM 620 N1 DC B 20 3.546 -15.315 2.114 1.00 0.00 N ATOM 621 C2 DC B 20 2.226 -14.968 2.441 1.00 0.00 C ATOM 622 O2 DC B 20 1.903 -14.685 3.592 1.00 0.00 O ATOM 623 N3 DC B 20 1.284 -14.939 1.451 1.00 0.00 N ATOM 624 C4 DC B 20 1.605 -15.242 0.184 1.00 0.00 C ATOM 625 N4 DC B 20 0.650 -15.166 -0.741 1.00 0.00 N ATOM 626 C5 DC B 20 2.945 -15.610 -0.184 1.00 0.00 C ATOM 627 C6 DC B 20 3.872 -15.630 0.809 1.00 0.00 C ATOM 0 H5' DC B 20 8.181 -13.564 2.377 1.00 0.00 H new ATOM 0 H5'' DC B 20 8.906 -14.991 3.090 1.00 0.00 H new ATOM 0 H4' DC B 20 7.017 -14.115 4.396 1.00 0.00 H new ATOM 0 H3' DC B 20 7.459 -16.839 3.855 1.00 0.00 H new ATOM 0 H2' DC B 20 5.533 -17.100 2.366 1.00 0.00 H new ATOM 0 H2'' DC B 20 4.750 -17.355 3.913 1.00 0.00 H new ATOM 0 HO3' DC B 20 6.254 -17.141 5.744 1.00 0.00 H new ATOM 0 H1' DC B 20 4.047 -15.054 4.092 1.00 0.00 H new ATOM 0 H41 DC B 20 0.863 -15.390 -1.713 1.00 0.00 H new ATOM 0 H42 DC B 20 -0.294 -14.884 -0.477 1.00 0.00 H new ATOM 0 H5 DC B 20 3.203 -15.859 -1.203 1.00 0.00 H new ATOM 0 H6 DC B 20 4.891 -15.899 0.572 1.00 0.00 H new TER 640 DC B 20 END