HEADER DNA-RNA HYBRID 18-JUL-95 XXXX TITLE CRYSTAL STRUCTURES OF THE B-FORM DNA-RNA CHIMER (5'-D(*IP*)- TITLE 2 R(*CP*)-D(*IP*CP*IP*CP*IP*C)-3') COMPLEXED WITH DISTAMYCIN COMPND 5'-D(*IP*)-R(*CP*)-D(*IP*CP*IP*CP*IP*C)-3', DISTAMYCIN A KEYWDS B-DNA/RNA, DOUBLE HELIX, COMPLEXED WITH DRUG, MODIFIED, DNA- KEYWDS 2 RNA HYBRID EXPDTA X-RAY DIFFRACTION AUTHOR X.CHEN, B.RAMAKRISHNAN, M.SUNDARALINGAM JRNL AUTH X.CHEN, B.RAMAKRISHNAN, M.SUNDARALINGAM JRNL TITL CRYSTAL STRUCTURES OF B-FORM DNA-RNA CHIMERS JRNL TITL 2 COMPLEXED WITH DISTAMYCIN. JRNL REF NAT.STRUCT.BIOL. V. 2 733 1995 JRNL REFN ASTM NSBIEW US ISSN 1072-8368 JRNL PMID 7552741 JRNL DOI 10.1038/NSB0995-733 SEQRES 1 A 8 DI C DI DC DI DC DI DC HETNAM DMY DISTAMYCIN A HETNAM MG MAGNESIUM ION HETSYN DMY DISTAMYCIN; STALLIMYCIN FORMUL 2 DMY C22 H27 N9 O4 FORMUL 3 MG MG 2+ FORMUL 4 HOH *43(H2 O) LINK OP2 DC A 6 MG MG A 10 1555 1555 2.00 LINK MG MG A 10 O HOH A 14 1555 1555 2.09 LINK MG MG A 10 O HOH A 23 1555 1555 2.15 LINK MG MG A 10 O HOH A 19 1555 1555 2.16 SITE 1 AC1 15 C A 2 DI A 3 DI A 3 DC A 4 SITE 2 AC1 15 DI A 5 DC A 6 DC A 6 DI A 7 SITE 3 AC1 15 DC A 8 HOH A 12 HOH A 21 HOH A 33 SITE 4 AC1 15 HOH A 35 HOH A 35 HOH A 39 SITE 1 AC2 6 DC A 6 HOH A 14 HOH A 15 HOH A 16 SITE 2 AC2 6 HOH A 19 HOH A 23 CRYST1 27.920 27.920 57.700 90.00 90.00 90.00 P 41 2 2 8 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 0.035804 0.000000 0.000000 0.00000 SCALE2 0.000000 0.035804 0.000000 0.00000 SCALE3 0.000000 0.000000 0.017400 0.00000 MODEL 1 ATOM 1 O5' DI A 1 -0.977 14.566 18.155 1.00 10.41 O ATOM 2 C5' DI A 1 -1.057 13.221 17.651 1.00 9.75 C ATOM 3 C4' DI A 1 -0.684 13.185 16.168 1.00 9.31 C ATOM 4 O4' DI A 1 0.712 13.544 16.035 1.00 9.02 O ATOM 5 C3' DI A 1 -0.842 11.774 15.684 1.00 9.33 C ATOM 6 O3' DI A 1 -1.186 11.936 14.305 1.00 9.55 O ATOM 7 C2' DI A 1 0.583 11.220 15.842 1.00 8.91 C ATOM 8 C1' DI A 1 1.443 12.411 15.492 1.00 8.75 C ATOM 9 N9 DI A 1 2.780 12.288 16.115 1.00 8.55 N ATOM 10 C8 DI A 1 3.062 12.301 17.467 1.00 8.55 C ATOM 11 N7 DI A 1 4.343 12.352 17.744 1.00 8.48 N ATOM 12 C5 DI A 1 4.966 12.399 16.497 1.00 8.33 C ATOM 13 C6 DI A 1 6.343 12.347 16.179 1.00 8.23 C ATOM 14 O6 DI A 1 7.307 12.324 16.942 1.00 8.21 O ATOM 15 N1 DI A 1 6.554 12.271 14.818 1.00 8.50 N ATOM 16 C2 DI A 1 5.558 12.218 13.870 1.00 8.19 C ATOM 17 N3 DI A 1 4.258 12.293 14.154 1.00 8.20 N ATOM 18 C4 DI A 1 4.026 12.351 15.490 1.00 8.36 C ATOM 19 P C A 2 -1.749 10.679 13.474 1.00 9.89 P ATOM 20 OP1 C A 2 -2.336 11.199 12.213 1.00 10.05 O ATOM 21 OP2 C A 2 -2.534 9.833 14.384 1.00 10.35 O ATOM 22 O5' C A 2 -0.438 9.830 13.090 1.00 9.90 O ATOM 23 C5' C A 2 0.348 10.096 11.916 1.00 9.85 C ATOM 24 C4' C A 2 1.570 9.200 11.832 1.00 9.86 C ATOM 25 O4' C A 2 2.467 9.563 12.897 1.00 9.57 O ATOM 26 C3' C A 2 1.125 7.737 12.145 1.00 10.11 C ATOM 27 O3' C A 2 1.820 6.918 11.193 1.00 10.89 O ATOM 28 C2' C A 2 1.725 7.510 13.535 1.00 9.67 C ATOM 29 O2' C A 2 1.960 6.126 13.843 1.00 9.53 O ATOM 30 C1' C A 2 2.991 8.320 13.383 1.00 9.39 C ATOM 31 N1 C A 2 3.765 8.477 14.639 1.00 8.92 N ATOM 32 C2 C A 2 5.146 8.655 14.516 1.00 8.73 C ATOM 33 O2 C A 2 5.723 8.628 13.419 1.00 8.59 O ATOM 34 N3 C A 2 5.868 8.890 15.654 1.00 8.46 N ATOM 35 C4 C A 2 5.270 8.985 16.846 1.00 8.50 C ATOM 36 N4 C A 2 6.029 9.223 17.917 1.00 8.60 N ATOM 37 C5 C A 2 3.847 8.853 16.976 1.00 8.51 C ATOM 38 C6 C A 2 3.138 8.620 15.854 1.00 8.71 C ATOM 39 P DI A 3 1.040 6.453 9.867 1.00 11.40 P ATOM 40 OP1 DI A 3 0.460 7.629 9.204 1.00 11.65 O ATOM 41 OP2 DI A 3 0.198 5.296 10.230 1.00 11.28 O ATOM 42 O5' DI A 3 2.218 5.910 8.980 1.00 11.11 O ATOM 43 C5' DI A 3 3.061 6.711 8.174 1.00 10.98 C ATOM 44 C4' DI A 3 4.264 5.900 7.701 1.00 10.85 C ATOM 45 O4' DI A 3 5.239 5.832 8.744 1.00 10.75 O ATOM 46 C3' DI A 3 3.880 4.445 7.376 1.00 11.00 C ATOM 47 O3' DI A 3 4.792 4.099 6.337 1.00 11.67 O ATOM 48 C2' DI A 3 4.211 3.684 8.682 1.00 10.68 C ATOM 49 C1' DI A 3 5.374 4.489 9.265 1.00 10.38 C ATOM 50 N9 DI A 3 5.280 4.594 10.736 1.00 9.99 N ATOM 51 C8 DI A 3 4.174 4.901 11.463 1.00 10.09 C ATOM 52 N7 DI A 3 4.396 5.130 12.730 1.00 9.88 N ATOM 53 C5 DI A 3 5.761 5.013 12.851 1.00 9.65 C ATOM 54 C6 DI A 3 6.571 5.233 13.988 1.00 9.61 C ATOM 55 O6 DI A 3 6.187 5.517 15.123 1.00 9.29 O ATOM 56 N1 DI A 3 7.933 5.096 13.682 1.00 9.38 N ATOM 57 C2 DI A 3 8.428 4.746 12.446 1.00 9.35 C ATOM 58 N3 DI A 3 7.639 4.502 11.384 1.00 9.53 N ATOM 59 C4 DI A 3 6.325 4.690 11.638 1.00 9.79 C ATOM 60 P DC A 4 4.845 2.683 5.571 1.00 12.36 P ATOM 61 OP1 DC A 4 5.480 2.939 4.242 1.00 12.61 O ATOM 62 OP2 DC A 4 3.556 1.999 5.701 1.00 12.29 O ATOM 63 O5' DC A 4 5.898 1.833 6.440 1.00 11.79 O ATOM 64 C5' DC A 4 7.299 2.063 6.399 1.00 11.07 C ATOM 65 C4' DC A 4 7.990 1.230 7.452 1.00 10.65 C ATOM 66 O4' DC A 4 7.462 1.671 8.725 1.00 10.47 O ATOM 67 C3' DC A 4 7.574 -0.225 7.316 1.00 10.46 C ATOM 68 O3' DC A 4 8.814 -0.911 7.308 1.00 10.89 O ATOM 69 C2' DC A 4 6.906 -0.508 8.654 1.00 10.37 C ATOM 70 C1' DC A 4 7.549 0.533 9.551 1.00 10.02 C ATOM 71 N1 DC A 4 6.793 0.825 10.791 1.00 9.73 N ATOM 72 C2 DC A 4 7.527 1.182 11.925 1.00 9.46 C ATOM 73 O2 DC A 4 8.753 1.155 11.981 1.00 9.30 O ATOM 74 N3 DC A 4 6.846 1.552 13.029 1.00 9.30 N ATOM 75 C4 DC A 4 5.510 1.488 13.081 1.00 9.25 C ATOM 76 N4 DC A 4 4.927 1.863 14.220 1.00 9.15 N ATOM 77 C5 DC A 4 4.738 1.077 11.945 1.00 9.41 C ATOM 78 C6 DC A 4 5.416 0.851 10.799 1.00 9.46 C ATOM 79 P DI A 5 9.334 -1.670 5.965 1.00 10.77 P ATOM 80 OP1 DI A 5 9.355 -0.681 4.855 1.00 11.06 O ATOM 81 OP2 DI A 5 8.550 -2.901 5.801 1.00 10.87 O ATOM 82 O5' DI A 5 10.839 -2.048 6.344 1.00 10.35 O ATOM 83 C5' DI A 5 11.840 -1.047 6.597 1.00 9.65 C ATOM 84 C4' DI A 5 12.692 -1.400 7.791 1.00 9.25 C ATOM 85 O4' DI A 5 11.830 -1.328 8.927 1.00 9.03 O ATOM 86 C3' DI A 5 13.181 -2.837 7.649 1.00 9.02 C ATOM 87 O3' DI A 5 14.549 -2.787 8.028 1.00 9.05 O ATOM 88 C2' DI A 5 12.335 -3.625 8.664 1.00 8.95 C ATOM 89 C1' DI A 5 11.886 -2.551 9.672 1.00 8.78 C ATOM 90 N9 DI A 5 10.511 -2.827 10.148 1.00 8.60 N ATOM 91 C8 DI A 5 9.431 -3.277 9.423 1.00 8.44 C ATOM 92 N7 DI A 5 8.291 -3.181 10.041 1.00 8.43 N ATOM 93 C5 DI A 5 8.640 -2.663 11.282 1.00 8.44 C ATOM 94 C6 DI A 5 7.814 -2.393 12.402 1.00 8.45 C ATOM 95 O6 DI A 5 6.596 -2.502 12.466 1.00 8.40 O ATOM 96 N1 DI A 5 8.533 -1.945 13.508 1.00 8.33 N ATOM 97 C2 DI A 5 9.902 -1.778 13.529 1.00 8.35 C ATOM 98 N3 DI A 5 10.691 -2.018 12.459 1.00 8.50 N ATOM 99 C4 DI A 5 9.985 -2.423 11.357 1.00 8.53 C ATOM 100 P DC A 6 15.544 -4.052 8.008 1.00 8.97 P ATOM 101 OP1 DC A 6 16.919 -3.558 7.828 1.00 9.25 O ATOM 102 OP2 DC A 6 15.005 -5.093 7.103 1.00 9.02 O ATOM 103 O5' DC A 6 15.381 -4.569 9.525 1.00 9.08 O ATOM 104 C5' DC A 6 15.789 -3.783 10.657 1.00 8.94 C ATOM 105 C4' DC A 6 15.198 -4.351 11.945 1.00 9.11 C ATOM 106 O4' DC A 6 13.788 -4.355 11.787 1.00 8.98 O ATOM 107 C3' DC A 6 15.577 -5.808 12.063 1.00 9.39 C ATOM 108 O3' DC A 6 16.585 -5.751 13.059 1.00 9.99 O ATOM 109 C2' DC A 6 14.315 -6.458 12.605 1.00 9.11 C ATOM 110 C1' DC A 6 13.332 -5.313 12.744 1.00 8.87 C ATOM 111 N1 DC A 6 11.940 -5.720 12.448 1.00 8.68 N ATOM 112 C2 DC A 6 10.964 -5.431 13.401 1.00 8.57 C ATOM 113 O2 DC A 6 11.266 -5.021 14.517 1.00 8.22 O ATOM 114 N3 DC A 6 9.647 -5.603 13.080 1.00 8.43 N ATOM 115 C4 DC A 6 9.288 -6.037 11.863 1.00 8.50 C ATOM 116 N4 DC A 6 8.001 -6.274 11.611 1.00 8.36 N ATOM 117 C5 DC A 6 10.279 -6.321 10.862 1.00 8.59 C ATOM 118 C6 DC A 6 11.579 -6.167 11.207 1.00 8.77 C ATOM 119 P DI A 7 17.379 -7.029 13.634 1.00 10.65 P ATOM 120 OP1 DI A 7 18.620 -6.484 14.212 1.00 11.01 O ATOM 121 OP2 DI A 7 17.457 -8.093 12.613 1.00 10.96 O ATOM 122 O5' DI A 7 16.457 -7.610 14.824 1.00 10.14 O ATOM 123 C5' DI A 7 16.139 -6.855 15.988 1.00 9.61 C ATOM 124 C4' DI A 7 14.967 -7.471 16.715 1.00 9.25 C ATOM 125 O4' DI A 7 13.839 -7.485 15.839 1.00 8.96 O ATOM 126 C3' DI A 7 15.288 -8.918 17.061 1.00 9.35 C ATOM 127 O3' DI A 7 14.965 -8.890 18.445 1.00 9.89 O ATOM 128 C2' DI A 7 14.254 -9.715 16.295 1.00 8.97 C ATOM 129 C1' DI A 7 13.126 -8.713 16.057 1.00 8.59 C ATOM 130 N9 DI A 7 12.400 -9.006 14.797 1.00 8.41 N ATOM 131 C8 DI A 7 12.920 -9.357 13.564 1.00 8.19 C ATOM 132 N7 DI A 7 12.024 -9.440 12.613 1.00 8.03 N ATOM 133 C5 DI A 7 10.813 -9.157 13.268 1.00 7.89 C ATOM 134 C6 DI A 7 9.455 -9.202 12.779 1.00 7.82 C ATOM 135 O6 DI A 7 9.040 -9.459 11.651 1.00 7.54 O ATOM 136 N1 DI A 7 8.547 -8.852 13.765 1.00 7.46 N ATOM 137 C2 DI A 7 8.871 -8.561 15.067 1.00 7.66 C ATOM 138 N3 DI A 7 10.119 -8.548 15.532 1.00 7.81 N ATOM 139 C4 DI A 7 11.045 -8.839 14.584 1.00 8.08 C ATOM 140 P DC A 8 15.195 -10.163 19.402 1.00 10.31 P ATOM 141 OP1 DC A 8 15.585 -9.615 20.732 1.00 10.52 O ATOM 142 OP2 DC A 8 16.027 -11.186 18.731 1.00 10.27 O ATOM 143 O5' DC A 8 13.734 -10.803 19.507 1.00 9.98 O ATOM 144 C5' DC A 8 12.676 -10.173 20.228 1.00 9.30 C ATOM 145 C4' DC A 8 11.369 -10.931 20.106 1.00 8.88 C ATOM 146 O4' DC A 8 11.037 -10.872 18.722 1.00 8.47 O ATOM 147 C3' DC A 8 11.603 -12.424 20.445 1.00 8.61 C ATOM 148 O3' DC A 8 10.725 -12.827 21.491 1.00 8.69 O ATOM 149 C2' DC A 8 11.296 -13.118 19.126 1.00 8.51 C ATOM 150 C1' DC A 8 10.384 -12.091 18.438 1.00 8.18 C ATOM 151 N1 DC A 8 10.378 -12.201 16.971 1.00 7.73 N ATOM 152 C2 DC A 8 9.139 -12.204 16.336 1.00 7.66 C ATOM 153 O2 DC A 8 8.083 -12.109 16.961 1.00 7.77 O ATOM 154 N3 DC A 8 9.101 -12.285 14.981 1.00 7.40 N ATOM 155 C4 DC A 8 10.231 -12.349 14.270 1.00 7.29 C ATOM 156 N4 DC A 8 10.118 -12.412 12.939 1.00 7.21 N ATOM 157 C5 DC A 8 11.528 -12.355 14.906 1.00 7.35 C ATOM 158 C6 DC A 8 11.553 -12.266 16.255 1.00 7.51 C TER 159 DC A 8 HETATM 160 C1 DMY A 9 10.117 -3.157 19.690 1.00 8.55 C HETATM 161 O1 DMY A 9 10.706 -3.510 20.709 1.00 8.70 O HETATM 162 N1 DMY A 9 10.586 -2.340 18.731 1.00 8.28 N HETATM 163 C2 DMY A 9 11.781 -1.724 18.623 1.00 8.27 C HETATM 164 C3 DMY A 9 12.162 -0.892 17.558 1.00 8.20 C HETATM 165 C4 DMY A 9 13.485 -0.495 17.783 1.00 8.27 C HETATM 166 N2 DMY A 9 13.889 -1.068 18.939 1.00 8.36 N HETATM 167 C5 DMY A 9 12.907 -1.795 19.468 1.00 8.29 C HETATM 168 C6 DMY A 9 15.259 -0.924 19.617 1.00 8.32 C HETATM 169 C7 DMY A 9 14.275 0.301 16.904 1.00 8.29 C HETATM 170 O2 DMY A 9 15.508 0.289 16.967 1.00 8.53 O HETATM 171 N3 DMY A 9 13.594 1.081 16.033 1.00 8.24 N HETATM 172 C8 DMY A 9 14.145 1.762 15.001 1.00 8.15 C HETATM 173 C9 DMY A 9 13.479 2.588 14.079 1.00 8.17 C HETATM 174 C10 DMY A 9 14.432 3.101 13.187 1.00 8.21 C HETATM 175 N4 DMY A 9 15.624 2.583 13.535 1.00 8.23 N HETATM 176 C11 DMY A 9 15.493 1.805 14.592 1.00 8.27 C HETATM 177 C12 DMY A 9 17.002 2.781 12.895 1.00 8.23 C HETATM 178 C13 DMY A 9 14.167 3.920 12.044 1.00 8.24 C HETATM 179 O3 DMY A 9 14.981 4.007 11.125 1.00 8.43 O HETATM 180 N5 DMY A 9 13.033 4.646 12.067 1.00 8.13 N HETATM 181 C14 DMY A 9 12.508 5.377 11.054 1.00 8.17 C HETATM 182 C15 DMY A 9 11.344 6.148 11.113 1.00 8.32 C HETATM 183 C16 DMY A 9 11.148 6.729 9.842 1.00 8.50 C HETATM 184 N6 DMY A 9 12.166 6.323 9.048 1.00 8.48 N HETATM 185 C17 DMY A 9 12.970 5.522 9.723 1.00 8.41 C HETATM 186 C18 DMY A 9 12.366 6.648 7.551 1.00 8.54 C HETATM 187 C19 DMY A 9 9.998 7.488 9.440 1.00 8.67 C HETATM 188 O4 DMY A 9 9.591 7.581 8.264 1.00 8.91 O HETATM 189 N7 DMY A 9 9.385 8.118 10.455 1.00 8.58 N HETATM 190 C20 DMY A 9 8.230 8.977 10.241 1.00 8.46 C HETATM 191 C21 DMY A 9 6.926 8.211 10.108 1.00 8.54 C HETATM 192 C22 DMY A 9 5.778 9.171 9.848 1.00 8.65 C HETATM 193 N8 DMY A 9 5.540 9.595 8.610 1.00 8.73 N HETATM 194 N9 DMY A 9 5.040 9.605 10.868 1.00 8.55 N HETATM 195 MG MG A 10 14.017 -6.572 6.181 1.00 11.51 MG HETATM 196 O HOH A 11 10.090 1.919 4.175 1.00 17.22 O HETATM 197 O HOH A 12 3.737 12.184 11.266 1.00 9.44 O HETATM 198 O HOH A 13 1.602 15.127 19.267 1.00 12.93 O HETATM 199 O HOH A 14 14.999 -6.203 4.379 1.00 7.85 O HETATM 200 O HOH A 15 8.245 13.106 19.463 1.00 9.36 O HETATM 201 O HOH A 16 5.512 12.297 20.245 1.00 10.13 O HETATM 202 O HOH A 17 5.450 9.535 20.931 1.00 12.74 O HETATM 203 O HOH A 18 7.423 -0.518 2.706 1.00 18.82 O HETATM 204 O HOH A 19 15.621 -7.896 6.768 1.00 10.58 O HETATM 205 O HOH A 20 9.894 -10.763 9.259 1.00 20.79 O HETATM 206 O HOH A 21 12.041 -2.840 23.055 1.00 19.56 O HETATM 207 O HOH A 22 12.845 -12.266 11.728 1.00 16.35 O HETATM 208 O HOH A 23 12.904 -7.221 7.903 1.00 12.49 O HETATM 209 O HOH A 24 13.456 -8.937 9.925 1.00 19.01 O HETATM 210 O HOH A 25 1.026 10.545 8.230 1.00 32.45 O HETATM 211 O HOH A 26 15.815 -10.004 11.340 1.00 42.78 O HETATM 212 O HOH A 27 3.726 5.096 16.416 1.00 27.25 O HETATM 213 O HOH A 28 18.890 -1.483 8.990 1.00 49.08 O HETATM 214 O HOH A 29 14.862 -13.160 16.815 1.00 25.99 O HETATM 215 O HOH A 30 19.491 -3.736 12.986 1.00 38.62 O HETATM 216 O HOH A 31 -2.792 14.760 20.439 1.00 36.05 O HETATM 217 O HOH A 32 18.163 -7.762 8.017 1.00 41.85 O HETATM 218 O HOH A 33 16.787 4.589 9.139 1.00 30.61 O HETATM 219 O HOH A 34 7.818 -7.054 8.433 1.00 11.08 O HETATM 220 O HOH A 35 8.683 5.083 6.985 1.00 30.63 O HETATM 221 O HOH A 36 11.403 -15.297 22.841 1.00 25.56 O HETATM 222 O HOH A 37 1.969 2.109 14.188 1.00 22.30 O HETATM 223 O HOH A 38 6.137 -4.594 8.901 1.00 28.63 O HETATM 224 O HOH A 39 18.254 0.907 17.228 1.00 39.02 O HETATM 225 O HOH A 40 -4.749 12.592 12.091 1.00 45.31 O HETATM 226 O HOH A 41 4.487 -2.909 10.646 1.00 24.46 O HETATM 227 O HOH A 42 8.425 10.521 22.055 1.00 22.39 O HETATM 228 O HOH A 43 15.242 -12.163 13.385 1.00 45.46 O HETATM 229 O HOH A 44 -2.554 7.976 16.743 1.00 43.08 O HETATM 230 O HOH A 45 12.494 -5.076 24.861 1.00 42.67 O HETATM 231 O HOH A 46 7.239 5.773 4.615 1.00 43.22 O HETATM 232 O HOH A 47 1.288 2.470 10.965 1.00 56.90 O HETATM 233 O HOH A 48 -0.481 4.517 14.127 1.00 53.32 O HETATM 234 O HOH A 49 18.905 -10.576 8.912 1.00 43.45 O HETATM 235 O HOH A 50 16.258 -6.860 21.272 1.00 42.96 O HETATM 236 O HOH A 51 19.316 -4.567 9.148 1.00 45.99 O HETATM 237 O HOH A 52 5.849 -3.464 5.091 1.00 41.48 O HETATM 238 O HOH A 53 17.772 -13.234 19.914 1.00 55.91 O ENDMDL MODEL 2 ATOM 1 O5' DI A 1 -0.977 -14.566 10.581 1.00 10.41 O ATOM 2 C5' DI A 1 -1.057 -13.221 11.085 1.00 9.75 C ATOM 3 C4' DI A 1 -0.684 -13.185 12.568 1.00 9.31 C ATOM 4 O4' DI A 1 0.712 -13.544 12.701 1.00 9.02 O ATOM 5 C3' DI A 1 -0.842 -11.774 13.052 1.00 9.33 C ATOM 6 O3' DI A 1 -1.186 -11.936 14.431 1.00 9.55 O ATOM 7 C2' DI A 1 0.583 -11.220 12.894 1.00 8.91 C ATOM 8 C1' DI A 1 1.443 -12.411 13.244 1.00 8.75 C ATOM 9 N9 DI A 1 2.780 -12.288 12.621 1.00 8.55 N ATOM 10 C8 DI A 1 3.062 -12.301 11.269 1.00 8.55 C ATOM 11 N7 DI A 1 4.343 -12.352 10.992 1.00 8.48 N ATOM 12 C5 DI A 1 4.966 -12.399 12.239 1.00 8.33 C ATOM 13 C6 DI A 1 6.343 -12.347 12.557 1.00 8.23 C ATOM 14 O6 DI A 1 7.307 -12.324 11.794 1.00 8.21 O ATOM 15 N1 DI A 1 6.554 -12.271 13.918 1.00 8.50 N ATOM 16 C2 DI A 1 5.558 -12.218 14.866 1.00 8.19 C ATOM 17 N3 DI A 1 4.258 -12.293 14.582 1.00 8.20 N ATOM 18 C4 DI A 1 4.026 -12.351 13.246 1.00 8.36 C ATOM 19 P C A 2 -1.749 -10.679 15.262 1.00 9.89 P ATOM 20 OP1 C A 2 -2.336 -11.199 16.523 1.00 10.05 O ATOM 21 OP2 C A 2 -2.534 -9.833 14.352 1.00 10.35 O ATOM 22 O5' C A 2 -0.438 -9.830 15.646 1.00 9.90 O ATOM 23 C5' C A 2 0.348 -10.096 16.820 1.00 9.85 C ATOM 24 C4' C A 2 1.570 -9.200 16.904 1.00 9.86 C ATOM 25 O4' C A 2 2.467 -9.563 15.839 1.00 9.57 O ATOM 26 C3' C A 2 1.125 -7.737 16.591 1.00 10.11 C ATOM 27 O3' C A 2 1.820 -6.918 17.543 1.00 10.89 O ATOM 28 C2' C A 2 1.725 -7.510 15.201 1.00 9.67 C ATOM 29 O2' C A 2 1.960 -6.126 14.893 1.00 9.53 O ATOM 30 C1' C A 2 2.991 -8.320 15.353 1.00 9.39 C ATOM 31 N1 C A 2 3.765 -8.477 14.097 1.00 8.92 N ATOM 32 C2 C A 2 5.146 -8.655 14.220 1.00 8.73 C ATOM 33 O2 C A 2 5.723 -8.628 15.317 1.00 8.59 O ATOM 34 N3 C A 2 5.868 -8.890 13.082 1.00 8.46 N ATOM 35 C4 C A 2 5.270 -8.985 11.890 1.00 8.50 C ATOM 36 N4 C A 2 6.029 -9.223 10.819 1.00 8.60 N ATOM 37 C5 C A 2 3.847 -8.853 11.760 1.00 8.51 C ATOM 38 C6 C A 2 3.138 -8.620 12.882 1.00 8.71 C ATOM 39 P DI A 3 1.040 -6.453 18.869 1.00 11.40 P ATOM 40 OP1 DI A 3 0.460 -7.629 19.532 1.00 11.65 O ATOM 41 OP2 DI A 3 0.198 -5.296 18.506 1.00 11.28 O ATOM 42 O5' DI A 3 2.218 -5.910 19.756 1.00 11.11 O ATOM 43 C5' DI A 3 3.061 -6.711 20.562 1.00 10.98 C ATOM 44 C4' DI A 3 4.264 -5.900 21.035 1.00 10.85 C ATOM 45 O4' DI A 3 5.239 -5.832 19.992 1.00 10.75 O ATOM 46 C3' DI A 3 3.880 -4.445 21.360 1.00 11.00 C ATOM 47 O3' DI A 3 4.792 -4.099 22.399 1.00 11.67 O ATOM 48 C2' DI A 3 4.211 -3.684 20.054 1.00 10.68 C ATOM 49 C1' DI A 3 5.374 -4.489 19.471 1.00 10.38 C ATOM 50 N9 DI A 3 5.280 -4.594 18.000 1.00 9.99 N ATOM 51 C8 DI A 3 4.174 -4.901 17.273 1.00 10.09 C ATOM 52 N7 DI A 3 4.396 -5.130 16.006 1.00 9.88 N ATOM 53 C5 DI A 3 5.761 -5.013 15.885 1.00 9.65 C ATOM 54 C6 DI A 3 6.571 -5.233 14.748 1.00 9.61 C ATOM 55 O6 DI A 3 6.187 -5.517 13.613 1.00 9.29 O ATOM 56 N1 DI A 3 7.933 -5.096 15.054 1.00 9.38 N ATOM 57 C2 DI A 3 8.428 -4.746 16.290 1.00 9.35 C ATOM 58 N3 DI A 3 7.639 -4.502 17.352 1.00 9.53 N ATOM 59 C4 DI A 3 6.325 -4.690 17.098 1.00 9.79 C ATOM 60 P DC A 4 4.845 -2.683 23.165 1.00 12.36 P ATOM 61 OP1 DC A 4 5.480 -2.939 24.494 1.00 12.61 O ATOM 62 OP2 DC A 4 3.556 -1.999 23.035 1.00 12.29 O ATOM 63 O5' DC A 4 5.898 -1.833 22.296 1.00 11.79 O ATOM 64 C5' DC A 4 7.299 -2.063 22.337 1.00 11.07 C ATOM 65 C4' DC A 4 7.990 -1.230 21.284 1.00 10.65 C ATOM 66 O4' DC A 4 7.462 -1.671 20.011 1.00 10.47 O ATOM 67 C3' DC A 4 7.574 0.225 21.420 1.00 10.46 C ATOM 68 O3' DC A 4 8.814 0.911 21.428 1.00 10.89 O ATOM 69 C2' DC A 4 6.906 0.508 20.082 1.00 10.37 C ATOM 70 C1' DC A 4 7.549 -0.533 19.185 1.00 10.02 C ATOM 71 N1 DC A 4 6.793 -0.825 17.945 1.00 9.73 N ATOM 72 C2 DC A 4 7.527 -1.182 16.811 1.00 9.46 C ATOM 73 O2 DC A 4 8.753 -1.155 16.755 1.00 9.30 O ATOM 74 N3 DC A 4 6.846 -1.552 15.707 1.00 9.30 N ATOM 75 C4 DC A 4 5.510 -1.488 15.655 1.00 9.25 C ATOM 76 N4 DC A 4 4.927 -1.863 14.516 1.00 9.15 N ATOM 77 C5 DC A 4 4.738 -1.077 16.791 1.00 9.41 C ATOM 78 C6 DC A 4 5.416 -0.851 17.937 1.00 9.46 C ATOM 79 P DI A 5 9.334 1.670 22.771 1.00 10.77 P ATOM 80 OP1 DI A 5 9.355 0.681 23.881 1.00 11.06 O ATOM 81 OP2 DI A 5 8.550 2.901 22.935 1.00 10.87 O ATOM 82 O5' DI A 5 10.839 2.048 22.392 1.00 10.35 O ATOM 83 C5' DI A 5 11.840 1.047 22.139 1.00 9.65 C ATOM 84 C4' DI A 5 12.692 1.400 20.945 1.00 9.25 C ATOM 85 O4' DI A 5 11.830 1.328 19.809 1.00 9.03 O ATOM 86 C3' DI A 5 13.181 2.837 21.087 1.00 9.02 C ATOM 87 O3' DI A 5 14.549 2.787 20.708 1.00 9.05 O ATOM 88 C2' DI A 5 12.335 3.625 20.072 1.00 8.95 C ATOM 89 C1' DI A 5 11.886 2.551 19.064 1.00 8.78 C ATOM 90 N9 DI A 5 10.511 2.827 18.588 1.00 8.60 N ATOM 91 C8 DI A 5 9.431 3.277 19.313 1.00 8.44 C ATOM 92 N7 DI A 5 8.291 3.181 18.695 1.00 8.43 N ATOM 93 C5 DI A 5 8.640 2.663 17.454 1.00 8.44 C ATOM 94 C6 DI A 5 7.814 2.393 16.334 1.00 8.45 C ATOM 95 O6 DI A 5 6.596 2.502 16.270 1.00 8.40 O ATOM 96 N1 DI A 5 8.533 1.945 15.228 1.00 8.33 N ATOM 97 C2 DI A 5 9.902 1.778 15.207 1.00 8.35 C ATOM 98 N3 DI A 5 10.691 2.018 16.277 1.00 8.50 N ATOM 99 C4 DI A 5 9.985 2.423 17.379 1.00 8.53 C ATOM 100 P DC A 6 15.544 4.052 20.728 1.00 8.97 P ATOM 101 OP1 DC A 6 16.919 3.558 20.908 1.00 9.25 O ATOM 102 OP2 DC A 6 15.005 5.093 21.633 1.00 9.02 O ATOM 103 O5' DC A 6 15.381 4.569 19.211 1.00 9.08 O ATOM 104 C5' DC A 6 15.789 3.783 18.079 1.00 8.94 C ATOM 105 C4' DC A 6 15.198 4.351 16.791 1.00 9.11 C ATOM 106 O4' DC A 6 13.788 4.355 16.949 1.00 8.98 O ATOM 107 C3' DC A 6 15.577 5.808 16.673 1.00 9.39 C ATOM 108 O3' DC A 6 16.585 5.751 15.677 1.00 9.99 O ATOM 109 C2' DC A 6 14.315 6.458 16.131 1.00 9.11 C ATOM 110 C1' DC A 6 13.332 5.313 15.992 1.00 8.87 C ATOM 111 N1 DC A 6 11.940 5.720 16.288 1.00 8.68 N ATOM 112 C2 DC A 6 10.964 5.431 15.335 1.00 8.57 C ATOM 113 O2 DC A 6 11.266 5.021 14.219 1.00 8.22 O ATOM 114 N3 DC A 6 9.647 5.603 15.656 1.00 8.43 N ATOM 115 C4 DC A 6 9.288 6.037 16.873 1.00 8.50 C ATOM 116 N4 DC A 6 8.001 6.274 17.125 1.00 8.36 N ATOM 117 C5 DC A 6 10.279 6.321 17.874 1.00 8.59 C ATOM 118 C6 DC A 6 11.579 6.167 17.529 1.00 8.77 C ATOM 119 P DI A 7 17.379 7.029 15.102 1.00 10.65 P ATOM 120 OP1 DI A 7 18.620 6.484 14.524 1.00 11.01 O ATOM 121 OP2 DI A 7 17.457 8.093 16.123 1.00 10.96 O ATOM 122 O5' DI A 7 16.457 7.610 13.912 1.00 10.14 O ATOM 123 C5' DI A 7 16.139 6.855 12.748 1.00 9.61 C ATOM 124 C4' DI A 7 14.967 7.471 12.021 1.00 9.25 C ATOM 125 O4' DI A 7 13.839 7.485 12.897 1.00 8.96 O ATOM 126 C3' DI A 7 15.288 8.918 11.675 1.00 9.35 C ATOM 127 O3' DI A 7 14.965 8.890 10.291 1.00 9.89 O ATOM 128 C2' DI A 7 14.254 9.715 12.441 1.00 8.97 C ATOM 129 C1' DI A 7 13.126 8.713 12.679 1.00 8.59 C ATOM 130 N9 DI A 7 12.400 9.006 13.939 1.00 8.41 N ATOM 131 C8 DI A 7 12.920 9.357 15.172 1.00 8.19 C ATOM 132 N7 DI A 7 12.024 9.440 16.123 1.00 8.03 N ATOM 133 C5 DI A 7 10.813 9.157 15.468 1.00 7.89 C ATOM 134 C6 DI A 7 9.455 9.202 15.957 1.00 7.82 C ATOM 135 O6 DI A 7 9.040 9.459 17.085 1.00 7.54 O ATOM 136 N1 DI A 7 8.547 8.852 14.971 1.00 7.46 N ATOM 137 C2 DI A 7 8.871 8.561 13.669 1.00 7.66 C ATOM 138 N3 DI A 7 10.119 8.548 13.204 1.00 7.81 N ATOM 139 C4 DI A 7 11.045 8.839 14.152 1.00 8.08 C ATOM 140 P DC A 8 15.195 10.163 9.334 1.00 10.31 P ATOM 141 OP1 DC A 8 15.585 9.615 8.004 1.00 10.52 O ATOM 142 OP2 DC A 8 16.027 11.186 10.005 1.00 10.27 O ATOM 143 O5' DC A 8 13.734 10.803 9.229 1.00 9.98 O ATOM 144 C5' DC A 8 12.676 10.173 8.508 1.00 9.30 C ATOM 145 C4' DC A 8 11.369 10.931 8.630 1.00 8.88 C ATOM 146 O4' DC A 8 11.037 10.872 10.014 1.00 8.47 O ATOM 147 C3' DC A 8 11.603 12.424 8.291 1.00 8.61 C ATOM 148 O3' DC A 8 10.725 12.827 7.245 1.00 8.69 O ATOM 149 C2' DC A 8 11.296 13.118 9.610 1.00 8.51 C ATOM 150 C1' DC A 8 10.384 12.091 10.298 1.00 8.18 C ATOM 151 N1 DC A 8 10.378 12.201 11.765 1.00 7.73 N ATOM 152 C2 DC A 8 9.139 12.204 12.400 1.00 7.66 C ATOM 153 O2 DC A 8 8.083 12.109 11.775 1.00 7.77 O ATOM 154 N3 DC A 8 9.101 12.285 13.755 1.00 7.40 N ATOM 155 C4 DC A 8 10.231 12.349 14.466 1.00 7.29 C ATOM 156 N4 DC A 8 10.118 12.412 15.797 1.00 7.21 N ATOM 157 C5 DC A 8 11.528 12.355 13.830 1.00 7.35 C ATOM 158 C6 DC A 8 11.553 12.266 12.481 1.00 7.51 C TER 159 DC A 8 HETATM 160 C1 DMY A 9 10.117 3.157 9.046 1.00 8.55 C HETATM 161 O1 DMY A 9 10.706 3.510 8.027 1.00 8.70 O HETATM 162 N1 DMY A 9 10.586 2.340 10.005 1.00 8.28 N HETATM 163 C2 DMY A 9 11.781 1.724 10.113 1.00 8.27 C HETATM 164 C3 DMY A 9 12.162 0.892 11.178 1.00 8.20 C HETATM 165 C4 DMY A 9 13.485 0.495 10.953 1.00 8.27 C HETATM 166 N2 DMY A 9 13.889 1.068 9.797 1.00 8.36 N HETATM 167 C5 DMY A 9 12.907 1.795 9.268 1.00 8.29 C HETATM 168 C6 DMY A 9 15.259 0.924 9.119 1.00 8.32 C HETATM 169 C7 DMY A 9 14.275 -0.301 11.832 1.00 8.29 C HETATM 170 O2 DMY A 9 15.508 -0.289 11.769 1.00 8.53 O HETATM 171 N3 DMY A 9 13.594 -1.081 12.703 1.00 8.24 N HETATM 172 C8 DMY A 9 14.145 -1.762 13.735 1.00 8.15 C HETATM 173 C9 DMY A 9 13.479 -2.588 14.657 1.00 8.17 C HETATM 174 C10 DMY A 9 14.432 -3.101 15.549 1.00 8.21 C HETATM 175 N4 DMY A 9 15.624 -2.583 15.201 1.00 8.23 N HETATM 176 C11 DMY A 9 15.493 -1.805 14.144 1.00 8.27 C HETATM 177 C12 DMY A 9 17.002 -2.781 15.841 1.00 8.23 C HETATM 178 C13 DMY A 9 14.167 -3.920 16.692 1.00 8.24 C HETATM 179 O3 DMY A 9 14.981 -4.007 17.611 1.00 8.43 O HETATM 180 N5 DMY A 9 13.033 -4.646 16.669 1.00 8.13 N HETATM 181 C14 DMY A 9 12.508 -5.377 17.682 1.00 8.17 C HETATM 182 C15 DMY A 9 11.344 -6.148 17.623 1.00 8.32 C HETATM 183 C16 DMY A 9 11.148 -6.729 18.894 1.00 8.50 C HETATM 184 N6 DMY A 9 12.166 -6.323 19.688 1.00 8.48 N HETATM 185 C17 DMY A 9 12.970 -5.522 19.013 1.00 8.41 C HETATM 186 C18 DMY A 9 12.366 -6.648 21.185 1.00 8.54 C HETATM 187 C19 DMY A 9 9.998 -7.488 19.296 1.00 8.67 C HETATM 188 O4 DMY A 9 9.591 -7.581 20.472 1.00 8.91 O HETATM 189 N7 DMY A 9 9.385 -8.118 18.281 1.00 8.58 N HETATM 190 C20 DMY A 9 8.230 -8.977 18.495 1.00 8.46 C HETATM 191 C21 DMY A 9 6.926 -8.211 18.628 1.00 8.54 C HETATM 192 C22 DMY A 9 5.778 -9.171 18.888 1.00 8.65 C HETATM 193 N8 DMY A 9 5.540 -9.595 20.126 1.00 8.73 N HETATM 194 N9 DMY A 9 5.040 -9.605 17.868 1.00 8.55 N HETATM 195 MG MG A 10 14.017 6.572 22.555 1.00 11.51 MG HETATM 196 O HOH A 11 10.090 -1.919 24.561 1.00 17.22 O HETATM 197 O HOH A 12 3.737 -12.184 17.470 1.00 9.44 O HETATM 198 O HOH A 13 1.602 -15.127 9.469 1.00 12.93 O HETATM 199 O HOH A 14 14.999 6.203 24.357 1.00 7.85 O HETATM 200 O HOH A 15 8.245 -13.106 9.273 1.00 9.36 O HETATM 201 O HOH A 16 5.512 -12.297 8.491 1.00 10.13 O HETATM 202 O HOH A 17 5.450 -9.535 7.805 1.00 12.74 O HETATM 203 O HOH A 18 7.423 0.518 26.030 1.00 18.82 O HETATM 204 O HOH A 19 15.621 7.896 21.968 1.00 10.58 O HETATM 205 O HOH A 20 9.894 10.763 19.477 1.00 20.79 O HETATM 206 O HOH A 21 12.041 2.840 5.681 1.00 19.56 O HETATM 207 O HOH A 22 12.845 12.266 17.008 1.00 16.35 O HETATM 208 O HOH A 23 12.904 7.221 20.833 1.00 12.49 O HETATM 209 O HOH A 24 13.456 8.937 18.811 1.00 19.01 O HETATM 210 O HOH A 25 1.026 -10.545 20.506 1.00 32.45 O HETATM 211 O HOH A 26 15.815 10.004 17.396 1.00 42.78 O HETATM 212 O HOH A 27 3.726 -5.096 12.320 1.00 27.25 O HETATM 213 O HOH A 28 18.890 1.483 19.746 1.00 49.08 O HETATM 214 O HOH A 29 14.862 13.160 11.921 1.00 25.99 O HETATM 215 O HOH A 30 19.491 3.736 15.750 1.00 38.62 O HETATM 216 O HOH A 31 -2.792 -14.760 8.297 1.00 36.05 O HETATM 217 O HOH A 32 18.163 7.762 20.719 1.00 41.85 O HETATM 218 O HOH A 33 16.787 -4.589 19.597 1.00 30.61 O HETATM 219 O HOH A 34 7.818 7.054 20.303 1.00 11.08 O HETATM 220 O HOH A 35 8.683 -5.083 21.751 1.00 30.63 O HETATM 221 O HOH A 36 11.403 15.297 5.895 1.00 25.56 O HETATM 222 O HOH A 37 1.969 -2.109 14.548 1.00 22.30 O HETATM 223 O HOH A 38 6.137 4.594 19.835 1.00 28.63 O HETATM 224 O HOH A 39 18.254 -0.907 11.508 1.00 39.02 O HETATM 225 O HOH A 40 -4.749 -12.592 16.645 1.00 45.31 O HETATM 226 O HOH A 41 4.487 2.909 18.090 1.00 24.46 O HETATM 227 O HOH A 42 8.425 -10.521 6.681 1.00 22.39 O HETATM 228 O HOH A 43 15.242 12.163 15.351 1.00 45.46 O HETATM 229 O HOH A 44 -2.554 -7.976 11.993 1.00 43.08 O HETATM 230 O HOH A 45 12.494 5.076 3.875 1.00 42.67 O HETATM 231 O HOH A 46 7.239 -5.773 24.121 1.00 43.22 O HETATM 232 O HOH A 47 1.288 -2.470 17.771 1.00 56.90 O HETATM 233 O HOH A 48 -0.481 -4.517 14.609 1.00 53.32 O HETATM 234 O HOH A 49 18.905 10.576 19.824 1.00 43.45 O HETATM 235 O HOH A 50 16.258 6.860 7.464 1.00 42.96 O HETATM 236 O HOH A 51 19.316 4.567 19.588 1.00 45.99 O HETATM 237 O HOH A 52 5.849 3.464 23.645 1.00 41.48 O HETATM 238 O HOH A 53 17.772 13.234 8.822 1.00 55.91 O ENDMDL MASTER 0 0 0 0 0 0 6 6 237 1 0 1 END