HEADER DNA 25-MAR-97 XXXX TITLE STRUCTURE OF A DNA-BISDAUNOMYCIN COMPLEX COMPND 5'-D(*CP*GP*AP*TP*CP*G)-3', BISDAUNOMYCIN KEYWDS RIGHT HANDED DNA, DOUBLE HELIX, COMPLEXED WITH DRUG EXPDTA X-RAY DIFFRACTION AUTHOR G.G.HU, X.SHUI, F.LENG, W.PRIEBE, J.B.CHAIRES, L.D.WILLIAMS JRNL AUTH G.G.HU, X.SHUI, F.LENG, W.PRIEBE, J.B.CHAIRES, JRNL AUTH 2 L.D.WILLIAMS JRNL TITL STRUCTURE OF A DNA-BISDAUNOMYCIN COMPLEX. JRNL REF BIOCHEMISTRY V. 36 5940 1997 JRNL REFN ASTM BICHAW US ISSN 0006-2960 REMARK 1 SEQRES 1 A 6 DC DG DA DT DC DG HETNAM BDA 4-METHYLBENZYL-N-BIS[DAUNOMYCIN] HETSYN BDA WP631 FORMUL 2 BDA C62 H66 N2 O20 2+ FORMUL 3 HOH *8(H2 O) LINK C9A BDA A 7 C9A BDA A 7 8_665 LINK C9B BDA A 7 C9B BDA A 7 8_665 CRYST1 28.270 28.270 53.770 90.00 90.00 90.00 P 41 21 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 0.035373 0.000000 0.000000 0.00000 SCALE2 0.000000 0.035373 0.000000 0.00000 SCALE3 0.000000 0.000000 0.018598 0.00000 MODEL 1 ATOM 1 N1 DC A 1 11.408 16.840 24.975 1.00 13.97 N ATOM 2 C2 DC A 1 12.383 15.863 25.121 1.00 10.17 C ATOM 3 O2 DC A 1 13.577 16.125 25.196 1.00 9.00 O ATOM 4 N3 DC A 1 12.003 14.568 25.189 1.00 10.22 N ATOM 5 C4 DC A 1 10.714 14.257 25.138 1.00 6.53 C ATOM 6 N4 DC A 1 10.390 12.993 25.207 1.00 11.82 N ATOM 7 C5 DC A 1 9.685 15.235 24.998 1.00 12.34 C ATOM 8 C6 DC A 1 10.086 16.518 24.914 1.00 9.72 C ATOM 9 O5' DC A 1 8.502 19.354 23.546 1.00 21.94 O ATOM 10 C5' DC A 1 9.070 20.429 24.302 1.00 16.63 C ATOM 11 C4' DC A 1 10.542 20.221 24.701 1.00 18.84 C ATOM 12 O4' DC A 1 10.767 19.021 25.470 1.00 12.77 O ATOM 13 C3' DC A 1 11.454 20.193 23.484 1.00 18.81 C ATOM 14 O3' DC A 1 12.523 21.099 23.753 1.00 23.77 O ATOM 15 C2' DC A 1 11.893 18.739 23.440 1.00 15.12 C ATOM 16 C1' DC A 1 11.810 18.251 24.879 1.00 12.90 C ATOM 17 P DG A 2 12.945 22.222 22.687 1.00 26.09 P ATOM 18 N9 DG A 2 13.397 17.743 18.821 1.00 7.33 N ATOM 19 C8 DG A 2 12.065 18.010 18.830 1.00 7.79 C ATOM 20 N7 DG A 2 11.301 16.960 18.679 1.00 6.65 N ATOM 21 C5 DG A 2 12.220 15.919 18.597 1.00 2.35 C ATOM 22 C6 DG A 2 12.007 14.541 18.430 1.00 6.98 C ATOM 23 O6 DG A 2 10.927 13.965 18.342 1.00 9.54 O ATOM 24 N1 DG A 2 13.198 13.834 18.391 1.00 6.90 N ATOM 25 C2 DG A 2 14.440 14.407 18.504 1.00 9.83 C ATOM 26 N2 DG A 2 15.495 13.626 18.482 1.00 2.85 N ATOM 27 N3 DG A 2 14.644 15.699 18.663 1.00 2.01 N ATOM 28 C4 DG A 2 13.494 16.392 18.691 1.00 7.39 C ATOM 29 OP1 DG A 2 13.930 23.098 23.354 1.00 26.89 O ATOM 30 OP2 DG A 2 11.731 22.825 22.086 1.00 28.36 O ATOM 31 O5' DG A 2 13.690 21.362 21.546 1.00 27.59 O ATOM 32 C5' DG A 2 15.046 20.874 21.704 1.00 24.61 C ATOM 33 C4' DG A 2 15.583 20.024 20.523 1.00 23.60 C ATOM 34 O4' DG A 2 14.872 18.779 20.379 1.00 22.26 O ATOM 35 C3' DG A 2 15.431 20.792 19.194 1.00 21.88 C ATOM 36 O3' DG A 2 16.631 20.728 18.409 1.00 27.23 O ATOM 37 C2' DG A 2 14.300 20.050 18.533 1.00 19.18 C ATOM 38 C1' DG A 2 14.546 18.634 18.987 1.00 15.61 C ATOM 39 P DA A 3 17.534 22.042 18.075 1.00 31.53 P ATOM 40 N9 DA A 3 17.060 17.826 15.615 1.00 14.70 N ATOM 41 C8 DA A 3 16.165 18.859 15.615 1.00 14.07 C ATOM 42 N7 DA A 3 14.929 18.497 15.442 1.00 12.78 N ATOM 43 C5 DA A 3 15.020 17.118 15.366 1.00 11.98 C ATOM 44 C6 DA A 3 14.058 16.132 15.186 1.00 15.93 C ATOM 45 N6 DA A 3 12.766 16.399 15.060 1.00 15.90 N ATOM 46 N1 DA A 3 14.467 14.875 15.128 1.00 12.49 N ATOM 47 C2 DA A 3 15.764 14.625 15.271 1.00 12.30 C ATOM 48 N3 DA A 3 16.781 15.447 15.434 1.00 16.40 N ATOM 49 C4 DA A 3 16.313 16.704 15.485 1.00 13.83 C ATOM 50 OP1 DA A 3 18.073 22.637 19.330 1.00 31.06 O ATOM 51 OP2 DA A 3 16.788 22.883 17.101 1.00 28.99 O ATOM 52 O5' DA A 3 18.740 21.338 17.289 1.00 30.21 O ATOM 53 C5' DA A 3 19.598 20.449 17.996 1.00 23.22 C ATOM 54 C4' DA A 3 19.851 19.155 17.237 1.00 18.82 C ATOM 55 O4' DA A 3 18.702 18.301 17.146 1.00 16.53 O ATOM 56 C3' DA A 3 20.327 19.447 15.844 1.00 15.71 C ATOM 57 O3' DA A 3 21.510 18.681 15.644 1.00 16.92 O ATOM 58 C2' DA A 3 19.183 18.974 14.996 1.00 15.63 C ATOM 59 C1' DA A 3 18.517 17.870 15.805 1.00 16.07 C ATOM 60 P DT A 4 22.364 18.806 14.300 1.00 18.81 P ATOM 61 N1 DT A 4 17.832 15.692 12.010 1.00 10.28 N ATOM 62 C2 DT A 4 16.692 14.931 11.920 1.00 11.51 C ATOM 63 O2 DT A 4 16.676 13.723 11.910 1.00 13.83 O ATOM 64 N3 DT A 4 15.504 15.582 11.817 1.00 15.02 N ATOM 65 C4 DT A 4 15.342 16.937 11.797 1.00 13.07 C ATOM 66 O4 DT A 4 14.210 17.389 11.674 1.00 15.33 O ATOM 67 C5 DT A 4 16.572 17.683 11.910 1.00 10.85 C ATOM 68 C6 DT A 4 17.749 17.054 12.020 1.00 9.06 C ATOM 69 OP1 DT A 4 23.797 18.603 14.624 1.00 21.11 O ATOM 70 OP2 DT A 4 21.907 20.015 13.566 1.00 13.70 O ATOM 71 O5' DT A 4 21.856 17.562 13.477 1.00 16.62 O ATOM 72 C5' DT A 4 22.036 16.232 13.982 1.00 15.93 C ATOM 73 C4' DT A 4 21.125 15.259 13.240 1.00 13.91 C ATOM 74 O4' DT A 4 19.757 15.675 13.300 1.00 15.60 O ATOM 75 C3' DT A 4 21.474 15.256 11.760 1.00 11.48 C ATOM 76 O3' DT A 4 22.373 14.183 11.534 1.00 17.80 O ATOM 77 C2' DT A 4 20.139 15.109 11.089 1.00 9.95 C ATOM 78 C1' DT A 4 19.124 15.003 12.199 1.00 12.47 C ATOM 79 C7 DT A 4 16.559 19.213 11.870 1.00 12.24 C ATOM 80 P DC A 5 23.588 14.250 10.489 1.00 24.72 P ATOM 81 N1 DC A 5 18.956 14.787 7.738 1.00 9.19 N ATOM 82 C2 DC A 5 17.638 14.683 8.071 1.00 5.97 C ATOM 83 O2 DC A 5 17.036 13.622 8.095 1.00 10.61 O ATOM 84 N3 DC A 5 16.947 15.797 8.354 1.00 11.36 N ATOM 85 C4 DC A 5 17.535 16.980 8.344 1.00 12.57 C ATOM 86 N4 DC A 5 16.807 18.055 8.631 1.00 11.51 N ATOM 87 C5 DC A 5 18.915 17.112 8.036 1.00 13.44 C ATOM 88 C6 DC A 5 19.578 15.983 7.722 1.00 10.55 C ATOM 89 OP1 DC A 5 24.604 13.267 10.939 1.00 27.14 O ATOM 90 OP2 DC A 5 23.967 15.656 10.199 1.00 25.23 O ATOM 91 O5' DC A 5 22.883 13.702 9.170 1.00 22.42 O ATOM 92 C5' DC A 5 22.488 12.335 9.065 1.00 17.60 C ATOM 93 C4' DC A 5 21.344 12.155 8.081 1.00 16.50 C ATOM 94 O4' DC A 5 20.231 12.969 8.519 1.00 12.38 O ATOM 95 C3' DC A 5 21.697 12.530 6.641 1.00 13.96 C ATOM 96 O3' DC A 5 21.133 11.578 5.761 1.00 17.70 O ATOM 97 C2' DC A 5 20.900 13.792 6.477 1.00 10.61 C ATOM 98 C1' DC A 5 19.687 13.563 7.366 1.00 11.66 C ATOM 99 P DG A 6 22.034 10.655 4.838 1.00 22.85 P ATOM 100 N9 DG A 6 18.180 11.347 1.612 1.00 5.84 N ATOM 101 C8 DG A 6 19.260 12.185 1.702 1.00 7.02 C ATOM 102 N7 DG A 6 18.976 13.451 1.691 1.00 2.10 N ATOM 103 C5 DG A 6 17.598 13.444 1.634 1.00 4.72 C ATOM 104 C6 DG A 6 16.703 14.530 1.601 1.00 9.98 C ATOM 105 O6 DG A 6 16.962 15.722 1.624 1.00 3.59 O ATOM 106 N1 DG A 6 15.390 14.123 1.552 1.00 8.40 N ATOM 107 C2 DG A 6 14.997 12.822 1.533 1.00 9.84 C ATOM 108 N2 DG A 6 13.704 12.608 1.475 1.00 13.81 N ATOM 109 N3 DG A 6 15.815 11.784 1.542 1.00 11.20 N ATOM 110 C4 DG A 6 17.106 12.172 1.595 1.00 3.52 C ATOM 111 OP1 DG A 6 22.656 9.602 5.694 1.00 18.10 O ATOM 112 OP2 DG A 6 22.893 11.545 4.005 1.00 14.77 O ATOM 113 O5' DG A 6 20.948 9.954 3.873 1.00 16.04 O ATOM 114 C5' DG A 6 20.006 9.039 4.425 1.00 15.69 C ATOM 115 C4' DG A 6 18.971 8.532 3.429 1.00 13.83 C ATOM 116 O4' DG A 6 17.983 9.508 3.023 1.00 14.10 O ATOM 117 C3' DG A 6 19.647 8.071 2.157 1.00 11.99 C ATOM 118 O3' DG A 6 18.907 6.985 1.630 1.00 17.17 O ATOM 119 C2' DG A 6 19.496 9.269 1.257 1.00 9.11 C ATOM 120 C1' DG A 6 18.146 9.877 1.643 1.00 7.05 C TER 121 DG A 6 HETATM 122 C1 BDA A 7 16.000 19.065 5.115 1.00 12.71 C HETATM 123 C2 BDA A 7 17.112 19.838 5.052 1.00 15.25 C HETATM 124 C3 BDA A 7 18.336 19.275 4.895 1.00 17.32 C HETATM 125 C4 BDA A 7 18.456 17.816 4.793 1.00 20.92 C HETATM 126 O4 BDA A 7 19.707 17.103 4.674 1.00 21.47 O HETATM 127 C5 BDA A 7 17.265 16.997 4.876 1.00 12.54 C HETATM 128 C6 BDA A 7 17.333 15.560 4.813 1.00 11.38 C HETATM 129 O6 BDA A 7 18.405 15.003 4.688 1.00 12.12 O HETATM 130 C7 BDA A 7 16.094 14.841 4.913 1.00 9.33 C HETATM 131 C8 BDA A 7 16.114 13.411 4.856 1.00 8.26 C HETATM 132 O8 BDA A 7 17.285 12.740 4.689 1.00 11.07 O HETATM 133 C9 BDA A 7 14.899 12.677 4.896 1.00 7.22 C HETATM 134 C10 BDA A 7 14.996 11.195 4.902 1.00 7.42 C HETATM 135 O10 BDA A 7 15.549 10.849 6.191 1.00 14.24 O HETATM 136 C11 BDA A 7 13.630 10.484 4.709 1.00 2.78 C HETATM 137 C12 BDA A 7 12.565 11.145 5.570 1.00 5.10 C HETATM 138 O12 BDA A 7 12.934 11.091 6.959 1.00 12.28 O HETATM 139 C13 BDA A 7 11.238 10.429 5.350 1.00 12.64 C HETATM 140 O13 BDA A 7 10.520 10.676 4.375 1.00 23.18 O HETATM 141 C14 BDA A 7 10.832 9.347 6.340 1.00 11.57 C HETATM 142 C15 BDA A 7 12.396 12.579 5.106 1.00 2.80 C HETATM 143 C16 BDA A 7 13.694 13.347 5.041 1.00 8.24 C HETATM 144 C17 BDA A 7 13.675 14.777 5.110 1.00 9.04 C HETATM 145 O17 BDA A 7 12.519 15.480 5.236 1.00 16.01 O HETATM 146 C18 BDA A 7 14.890 15.509 5.044 1.00 10.93 C HETATM 147 C19 BDA A 7 14.819 16.940 5.110 1.00 13.27 C HETATM 148 O19 BDA A 7 13.770 17.572 5.229 1.00 15.89 O HETATM 149 C20 BDA A 7 16.051 17.654 5.030 1.00 13.16 C HETATM 150 C21 BDA A 7 20.942 17.717 4.588 1.00 28.12 C HETATM 151 C9A BDA A 7 16.880 10.840 12.888 0.50 38.09 C HETATM 152 C9B BDA A 7 18.650 9.076 12.882 0.50 43.55 C HETATM 153 C1' BDA A 7 16.743 10.049 6.188 1.00 12.83 C HETATM 154 C2' BDA A 7 17.456 10.099 7.549 1.00 15.30 C HETATM 155 C3' BDA A 7 16.628 9.429 8.658 1.00 17.84 C HETATM 156 N3' BDA A 7 17.478 9.558 9.840 1.00 22.41 N HETATM 157 C4' BDA A 7 16.280 7.960 8.260 1.00 17.28 C HETATM 158 O4' BDA A 7 17.413 7.036 8.227 1.00 18.11 O HETATM 159 C5' BDA A 7 15.604 8.009 6.873 1.00 15.91 C HETATM 160 O5' BDA A 7 16.399 8.693 5.853 1.00 13.96 O HETATM 161 C6' BDA A 7 15.321 6.584 6.422 1.00 16.41 C HETATM 162 C7' BDA A 7 16.806 9.081 11.034 1.00 30.90 C HETATM 163 C8' BDA A 7 17.458 9.663 12.277 1.00 37.32 C HETATM 164 O HOH A 8 8.572 16.905 17.906 1.00 39.71 O HETATM 165 O HOH A 9 18.722 20.854 8.906 1.00 35.71 O HETATM 166 O HOH A 10 12.322 20.544 14.950 1.00 42.27 O HETATM 167 O HOH A 11 19.722 7.768 9.878 1.00 59.78 O HETATM 168 O HOH A 12 8.139 10.500 25.318 1.00 53.75 O HETATM 169 O HOH A 13 19.842 22.115 12.212 1.00 40.31 O HETATM 170 O HOH A 14 20.008 27.454 18.011 1.00 36.98 O HETATM 171 O HOH A 15 12.335 19.648 12.087 1.00 46.13 O ENDMDL MODEL 2 ATOM 1 O5' DC A 1 8.916 19.768 3.339 1.00 21.94 O ATOM 2 C5' DC A 1 7.841 19.200 2.583 1.00 16.63 C ATOM 3 C4' DC A 1 8.049 17.728 2.184 1.00 18.84 C ATOM 4 O4' DC A 1 9.249 17.503 1.415 1.00 12.77 O ATOM 5 C3' DC A 1 8.077 16.816 3.401 1.00 18.81 C ATOM 6 O3' DC A 1 7.171 15.747 3.132 1.00 23.77 O ATOM 7 C2' DC A 1 9.531 16.377 3.445 1.00 15.12 C ATOM 8 C1' DC A 1 10.019 16.460 2.006 1.00 12.90 C ATOM 9 N1 DC A 1 11.430 16.862 1.910 1.00 13.97 N ATOM 10 C2 DC A 1 12.407 15.887 1.764 1.00 10.17 C ATOM 11 O2 DC A 1 12.145 14.693 1.689 1.00 9.00 O ATOM 12 N3 DC A 1 13.702 16.267 1.696 1.00 10.22 N ATOM 13 C4 DC A 1 14.013 17.556 1.747 1.00 6.53 C ATOM 14 N4 DC A 1 15.277 17.880 1.678 1.00 11.82 N ATOM 15 C5 DC A 1 13.035 18.585 1.887 1.00 12.34 C ATOM 16 C6 DC A 1 11.752 18.184 1.971 1.00 9.72 C ATOM 17 P DG A 2 6.048 15.325 4.198 1.00 26.09 P ATOM 18 OP1 DG A 2 5.172 14.340 3.531 1.00 26.89 O ATOM 19 OP2 DG A 2 5.445 16.539 4.799 1.00 28.36 O ATOM 20 O5' DG A 2 6.908 14.580 5.339 1.00 27.59 O ATOM 21 C5' DG A 2 7.396 13.224 5.181 1.00 24.61 C ATOM 22 C4' DG A 2 8.246 12.687 6.362 1.00 23.60 C ATOM 23 O4' DG A 2 9.491 13.398 6.506 1.00 22.26 O ATOM 24 C3' DG A 2 7.478 12.839 7.691 1.00 21.88 C ATOM 25 O3' DG A 2 7.542 11.639 8.476 1.00 27.23 O ATOM 26 C2' DG A 2 8.220 13.970 8.352 1.00 19.18 C ATOM 27 C1' DG A 2 9.636 13.724 7.898 1.00 15.61 C ATOM 28 N9 DG A 2 10.527 14.873 8.064 1.00 7.33 N ATOM 29 C8 DG A 2 10.260 16.205 8.055 1.00 7.79 C ATOM 30 N7 DG A 2 11.310 16.969 8.206 1.00 6.65 N ATOM 31 C5 DG A 2 12.351 16.050 8.288 1.00 2.35 C ATOM 32 C6 DG A 2 13.729 16.263 8.455 1.00 6.98 C ATOM 33 O6 DG A 2 14.305 17.343 8.543 1.00 9.54 O ATOM 34 N1 DG A 2 14.436 15.072 8.494 1.00 6.90 N ATOM 35 C2 DG A 2 13.863 13.830 8.381 1.00 9.83 C ATOM 36 N2 DG A 2 14.644 12.775 8.403 1.00 2.85 N ATOM 37 N3 DG A 2 12.571 13.626 8.222 1.00 2.01 N ATOM 38 C4 DG A 2 11.878 14.776 8.194 1.00 7.39 C ATOM 39 P DA A 3 6.228 10.736 8.810 1.00 31.53 P ATOM 40 OP1 DA A 3 5.633 10.197 7.555 1.00 31.06 O ATOM 41 OP2 DA A 3 5.387 11.482 9.784 1.00 28.99 O ATOM 42 O5' DA A 3 6.932 9.530 9.596 1.00 30.21 O ATOM 43 C5' DA A 3 7.821 8.672 8.889 1.00 23.22 C ATOM 44 C4' DA A 3 9.115 8.419 9.648 1.00 18.82 C ATOM 45 O4' DA A 3 9.969 9.568 9.739 1.00 16.53 O ATOM 46 C3' DA A 3 8.823 7.943 11.041 1.00 15.71 C ATOM 47 O3' DA A 3 9.589 6.760 11.241 1.00 16.92 O ATOM 48 C2' DA A 3 9.296 9.087 11.889 1.00 15.63 C ATOM 49 C1' DA A 3 10.400 9.753 11.080 1.00 16.07 C ATOM 50 N9 DA A 3 10.444 11.210 11.270 1.00 14.70 N ATOM 51 C8 DA A 3 9.411 12.105 11.270 1.00 14.07 C ATOM 52 N7 DA A 3 9.773 13.341 11.443 1.00 12.78 N ATOM 53 C5 DA A 3 11.152 13.250 11.519 1.00 11.98 C ATOM 54 C6 DA A 3 12.138 14.212 11.699 1.00 15.93 C ATOM 55 N6 DA A 3 11.871 15.504 11.825 1.00 15.90 N ATOM 56 N1 DA A 3 13.395 13.803 11.757 1.00 12.49 N ATOM 57 C2 DA A 3 13.645 12.506 11.614 1.00 12.30 C ATOM 58 N3 DA A 3 12.823 11.489 11.451 1.00 16.40 N ATOM 59 C4 DA A 3 11.566 11.957 11.400 1.00 13.83 C ATOM 60 P DT A 4 9.464 5.906 12.585 1.00 18.81 P ATOM 61 OP1 DT A 4 9.667 4.473 12.261 1.00 21.11 O ATOM 62 OP2 DT A 4 8.255 6.363 13.319 1.00 13.70 O ATOM 63 O5' DT A 4 10.708 6.414 13.408 1.00 16.62 O ATOM 64 C5' DT A 4 12.038 6.234 12.903 1.00 15.93 C ATOM 65 C4' DT A 4 13.011 7.145 13.645 1.00 13.91 C ATOM 66 O4' DT A 4 12.595 8.513 13.585 1.00 15.60 O ATOM 67 C3' DT A 4 13.014 6.796 15.125 1.00 11.48 C ATOM 68 O3' DT A 4 14.087 5.897 15.351 1.00 17.80 O ATOM 69 C2' DT A 4 13.161 8.131 15.796 1.00 9.95 C ATOM 70 C1' DT A 4 13.267 9.146 14.686 1.00 12.47 C ATOM 71 N1 DT A 4 12.578 10.438 14.875 1.00 10.28 N ATOM 72 C2 DT A 4 13.339 11.578 14.965 1.00 11.51 C ATOM 73 O2 DT A 4 14.547 11.594 14.975 1.00 13.83 O ATOM 74 N3 DT A 4 12.688 12.766 15.068 1.00 15.02 N ATOM 75 C4 DT A 4 11.333 12.928 15.088 1.00 13.07 C ATOM 76 O4 DT A 4 10.881 14.060 15.211 1.00 15.33 O ATOM 77 C5 DT A 4 10.587 11.698 14.975 1.00 10.85 C ATOM 78 C7 DT A 4 9.057 11.711 15.015 1.00 12.24 C ATOM 79 C6 DT A 4 11.216 10.521 14.865 1.00 9.06 C ATOM 80 P DC A 5 14.020 4.682 16.396 1.00 24.72 P ATOM 81 OP1 DC A 5 15.003 3.666 15.946 1.00 27.14 O ATOM 82 OP2 DC A 5 12.614 4.303 16.686 1.00 25.23 O ATOM 83 O5' DC A 5 14.568 5.387 17.715 1.00 22.42 O ATOM 84 C5' DC A 5 15.935 5.782 17.820 1.00 17.60 C ATOM 85 C4' DC A 5 16.115 6.926 18.804 1.00 16.50 C ATOM 86 O4' DC A 5 15.301 8.039 18.366 1.00 12.38 O ATOM 87 C3' DC A 5 15.740 6.573 20.244 1.00 13.96 C ATOM 88 O3' DC A 5 16.692 7.137 21.124 1.00 17.70 O ATOM 89 C2' DC A 5 14.478 7.370 20.408 1.00 10.61 C ATOM 90 C1' DC A 5 14.707 8.583 19.519 1.00 11.66 C ATOM 91 N1 DC A 5 13.483 9.314 19.147 1.00 9.19 N ATOM 92 C2 DC A 5 13.587 10.632 18.814 1.00 5.97 C ATOM 93 O2 DC A 5 14.648 11.234 18.790 1.00 10.61 O ATOM 94 N3 DC A 5 12.473 11.323 18.531 1.00 11.36 N ATOM 95 C4 DC A 5 11.290 10.735 18.541 1.00 12.57 C ATOM 96 N4 DC A 5 10.215 11.463 18.254 1.00 11.51 N ATOM 97 C5 DC A 5 11.158 9.355 18.849 1.00 13.44 C ATOM 98 C6 DC A 5 12.287 8.692 19.163 1.00 10.55 C ATOM 99 P DG A 6 17.615 6.236 22.047 1.00 22.85 P ATOM 100 OP1 DG A 6 18.668 5.614 21.191 1.00 18.10 O ATOM 101 OP2 DG A 6 16.725 5.377 22.880 1.00 14.77 O ATOM 102 O5' DG A 6 18.316 7.322 23.012 1.00 16.04 O ATOM 103 C5' DG A 6 19.231 8.264 22.460 1.00 15.69 C ATOM 104 C4' DG A 6 19.738 9.299 23.456 1.00 13.83 C ATOM 105 O4' DG A 6 18.762 10.287 23.862 1.00 14.10 O ATOM 106 C3' DG A 6 20.199 8.623 24.728 1.00 11.99 C ATOM 107 O3' DG A 6 21.285 9.363 25.255 1.00 17.17 O ATOM 108 C2' DG A 6 19.001 8.774 25.628 1.00 9.11 C ATOM 109 C1' DG A 6 18.393 10.124 25.242 1.00 7.05 C ATOM 110 N9 DG A 6 16.923 10.090 25.273 1.00 5.84 N ATOM 111 C8 DG A 6 16.085 9.010 25.183 1.00 7.02 C ATOM 112 N7 DG A 6 14.819 9.294 25.194 1.00 2.10 N ATOM 113 C5 DG A 6 14.826 10.672 25.251 1.00 4.72 C ATOM 114 C6 DG A 6 13.740 11.567 25.284 1.00 9.98 C ATOM 115 O6 DG A 6 12.548 11.308 25.261 1.00 3.59 O ATOM 116 N1 DG A 6 14.147 12.880 25.333 1.00 8.40 N ATOM 117 C2 DG A 6 15.448 13.273 25.352 1.00 9.84 C ATOM 118 N2 DG A 6 15.662 14.566 25.410 1.00 13.81 N ATOM 119 N3 DG A 6 16.486 12.455 25.343 1.00 11.20 N ATOM 120 C4 DG A 6 16.098 11.164 25.290 1.00 3.52 C TER 121 DG A 6 HETATM 122 C1 BDA A 7 9.205 12.270 21.770 1.00 12.71 C HETATM 123 C2 BDA A 7 8.432 11.158 21.833 1.00 15.25 C HETATM 124 C3 BDA A 7 8.995 9.934 21.990 1.00 17.32 C HETATM 125 C4 BDA A 7 10.454 9.814 22.092 1.00 20.92 C HETATM 126 O4 BDA A 7 11.167 8.563 22.211 1.00 21.47 O HETATM 127 C5 BDA A 7 11.273 11.005 22.009 1.00 12.54 C HETATM 128 C6 BDA A 7 12.710 10.937 22.072 1.00 11.38 C HETATM 129 O6 BDA A 7 13.267 9.865 22.197 1.00 12.12 O HETATM 130 C7 BDA A 7 13.429 12.176 21.972 1.00 9.33 C HETATM 131 C8 BDA A 7 14.859 12.156 22.029 1.00 8.26 C HETATM 132 O8 BDA A 7 15.530 10.985 22.196 1.00 11.07 O HETATM 133 C9 BDA A 7 15.593 13.371 21.989 1.00 7.22 C HETATM 134 C10 BDA A 7 17.075 13.274 21.983 1.00 7.42 C HETATM 135 O10 BDA A 7 17.421 12.721 20.694 1.00 14.24 O HETATM 136 C11 BDA A 7 17.786 14.640 22.176 1.00 2.78 C HETATM 137 C12 BDA A 7 17.125 15.705 21.315 1.00 5.10 C HETATM 138 O12 BDA A 7 17.179 15.336 19.926 1.00 12.28 O HETATM 139 C13 BDA A 7 17.841 17.032 21.535 1.00 12.64 C HETATM 140 O13 BDA A 7 17.594 17.750 22.510 1.00 23.18 O HETATM 141 C14 BDA A 7 18.923 17.438 20.545 1.00 11.57 C HETATM 142 C15 BDA A 7 15.691 15.874 21.779 1.00 2.80 C HETATM 143 C16 BDA A 7 14.923 14.576 21.844 1.00 8.24 C HETATM 144 C17 BDA A 7 13.493 14.595 21.775 1.00 9.04 C HETATM 145 O17 BDA A 7 12.790 15.751 21.649 1.00 16.01 O HETATM 146 C18 BDA A 7 12.761 13.380 21.841 1.00 10.93 C HETATM 147 C19 BDA A 7 11.330 13.451 21.775 1.00 13.27 C HETATM 148 O19 BDA A 7 10.698 14.500 21.656 1.00 15.89 O HETATM 149 C20 BDA A 7 10.616 12.219 21.855 1.00 13.16 C HETATM 150 C21 BDA A 7 10.553 7.328 22.297 1.00 28.12 C HETATM 151 C1' BDA A 7 18.221 11.527 20.697 1.00 12.83 C HETATM 152 C2' BDA A 7 18.171 10.814 19.336 1.00 15.30 C HETATM 153 C3' BDA A 7 18.841 11.642 18.227 1.00 17.84 C HETATM 154 N3' BDA A 7 18.712 10.792 17.045 1.00 22.41 N HETATM 155 C4' BDA A 7 20.310 11.990 18.625 1.00 17.28 C HETATM 156 O4' BDA A 7 21.234 10.857 18.658 1.00 18.11 O HETATM 157 C5' BDA A 7 20.261 12.666 20.012 1.00 15.91 C HETATM 158 O5' BDA A 7 19.577 11.871 21.032 1.00 13.96 O HETATM 159 C6' BDA A 7 21.686 12.949 20.463 1.00 16.41 C HETATM 160 C7' BDA A 7 19.189 11.464 15.851 1.00 30.90 C HETATM 161 C8' BDA A 7 18.607 10.812 14.608 1.00 37.32 C HETATM 162 C9A BDA A 7 17.430 11.390 13.997 0.50 38.09 C HETATM 163 C9B BDA A 7 19.194 9.620 14.003 0.50 43.55 C HETATM 164 O HOH A 8 11.365 19.698 8.979 1.00 39.71 O HETATM 165 O HOH A 9 7.416 9.548 17.979 1.00 35.71 O HETATM 166 O HOH A 10 7.726 15.948 11.935 1.00 42.27 O HETATM 167 O HOH A 11 20.502 8.548 17.007 1.00 59.78 O HETATM 168 O HOH A 12 17.770 20.131 1.567 1.00 53.75 O HETATM 169 O HOH A 13 6.155 8.428 14.673 1.00 40.31 O HETATM 170 O HOH A 14 0.816 8.262 8.874 1.00 36.98 O HETATM 171 O HOH A 15 8.622 15.935 14.798 1.00 46.13 O ENDMDL CONECT 122 123 149 CONECT 123 122 124 CONECT 124 123 125 CONECT 125 124 126 127 CONECT 126 125 150 CONECT 127 125 128 149 CONECT 128 127 129 130 CONECT 129 128 CONECT 130 128 131 146 CONECT 131 130 132 133 CONECT 132 131 CONECT 133 131 134 143 CONECT 134 133 135 136 CONECT 135 134 CONECT 136 134 137 CONECT 137 136 138 139 142 CONECT 138 137 CONECT 139 137 140 141 CONECT 140 139 CONECT 141 139 CONECT 142 137 143 CONECT 143 133 142 144 CONECT 144 143 145 146 CONECT 145 144 CONECT 146 130 144 147 CONECT 147 146 148 149 CONECT 148 147 CONECT 149 122 127 147 CONECT 150 126 MASTER 0 0 0 0 0 0 0 6 340 2 29 1 END