HEADER DNA 23-APR-97 XXXX TITLE CRYSTAL STRUCTURE OF A DOUBLE-STRANDED DNA CONTAINING THE TITLE 2 MAJOR ADDUCT OF THE ANTICANCER DRUG CISPLATIN COMPND 5'-D(*CP*CP*(BRU)P*CP*TP*[PT(NH3)2(GP*GP)]*TP*CP*TP*CP*C)-3' KEYWDS RIGHT HANDED DNA, DOUBLE HELIX, COMPLEXED WITH DRUG, KEYWDS 2 MODIFIED EXPDTA X-RAY DIFFRACTION AUTHOR P.M.TAKAHARA, A.C.ROSENZWEIG, C.A.FREDERICK, S.J.LIPPARD JRNL AUTH P.M.TAKAHARA, A.C.ROSENZWEIG, C.A.FREDERICK, JRNL AUTH 2 S.J.LIPPARD JRNL TITL CRYSTAL STRUCTURE OF DOUBLE-STRANDED DNA JRNL TITL 2 CONTAINING THE MAJOR ADDUCT OF THE ANTICANCER DRUG JRNL TITL 3 CISPLATIN. JRNL REF NATURE V. 377 649 1995 JRNL REFN ASTM NATUAS UK ISSN 0028-0836 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH P.M.TAKAHARA, C.A.FREDERICK, S.J.LIPPARD REMARK 1 TITL CRYSTAL STRUCTURE OF THE ANTICANCER DRUG CISPLATIN REMARK 1 TITL 2 BOUND TO DUPLEX DNA REMARK 1 REF J.AM.CHEM.SOC. V. 118 12309 1996 REMARK 1 REFN ASTM JACSAT US ISSN 0002-7863 SEQRES 1 A 12 DC DC BRU DC DT DG DG DT DC DT DC DC SEQRES 1 B 12 DG DG DA DG DA DC DC DA DG DA DG DG SEQRES 1 C 12 DC DC BRU DC DT DG DG DT DC DT DC DC SEQRES 1 D 12 DG DG DA DG DA DC DC DA DG DA DG DG HETNAM BRU 5-BROMO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE HETNAM CPT CIS-PLATINUM-(NH3)2 HETSYN CPT CIS-DIAMMINE-PLATINUM(II) FORMUL 1 BRU 2(C9 H12 BR N2 O8 P) FORMUL 5 CPT 2(H6 N2 PT) FORMUL 7 HOH *62(H2 O) LINK PT1 CPT A 49 N7 DG A 6 LINK PT1 CPT A 49 N7 DG A 7 LINK PT1 CPT C 50 N7 DG C 30 LINK PT1 CPT C 50 N7 DG C 31 LINK C8 DG A 6 PT1 CPT A 49 LINK C5 DG A 6 PT1 CPT A 49 LINK C8 DG A 7 PT1 CPT A 49 LINK C5 DG A 7 PT1 CPT A 49 LINK C8 DG C 30 PT1 CPT C 50 LINK C5 DG C 30 PT1 CPT C 50 LINK C8 DG C 31 PT1 CPT C 50 LINK C5 DG C 31 PT1 CPT C 50 CRYST1 31.270 35.460 47.010 79.81 84.75 82.79 P 1 2 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 0.031980 -0.004046 -0.002294 0.00000 SCALE2 0.000000 0.028426 -0.004829 0.00000 SCALE3 0.000000 0.000000 0.021668 0.00000 ATOM 1 N1 DC C 25 24.649 45.684 22.174 1.00 23.28 N ATOM 2 C2 DC C 25 23.851 45.201 21.172 1.00 24.02 C ATOM 3 O2 DC C 25 22.647 45.405 21.205 1.00 25.08 O ATOM 4 N3 DC C 25 24.358 44.448 20.167 1.00 23.22 N ATOM 5 C4 DC C 25 25.656 44.178 20.161 1.00 22.94 C ATOM 6 N4 DC C 25 26.124 43.465 19.137 1.00 23.03 N ATOM 7 C5 DC C 25 26.525 44.667 21.203 1.00 22.17 C ATOM 8 C6 DC C 25 25.973 45.413 22.183 1.00 22.24 C ATOM 9 O5' DC C 25 27.313 46.505 25.429 1.00 30.02 O ATOM 10 C5' DC C 25 26.181 47.258 25.975 1.00 28.13 C ATOM 11 C4' DC C 25 24.850 47.016 25.294 1.00 25.72 C ATOM 12 O4' DC C 25 25.024 47.184 23.894 1.00 24.06 O ATOM 13 C3' DC C 25 24.394 45.614 25.445 1.00 25.86 C ATOM 14 O3' DC C 25 23.819 45.381 26.743 1.00 26.04 O ATOM 15 C2' DC C 25 23.354 45.699 24.324 1.00 25.01 C ATOM 16 C1' DC C 25 24.003 46.505 23.210 1.00 23.77 C ATOM 17 P DC C 26 23.360 43.895 27.248 1.00 26.32 P ATOM 18 N1 DC C 26 21.023 42.276 22.670 1.00 24.38 N ATOM 19 C2 DC C 26 20.811 41.391 21.657 1.00 24.75 C ATOM 20 O2 DC C 26 19.702 41.144 21.225 1.00 25.51 O ATOM 21 N3 DC C 26 21.864 40.806 21.063 1.00 24.20 N ATOM 22 C4 DC C 26 23.100 41.086 21.444 1.00 23.55 C ATOM 23 N4 DC C 26 24.116 40.514 20.819 1.00 24.00 N ATOM 24 C5 DC C 26 23.352 41.996 22.484 1.00 23.28 C ATOM 25 C6 DC C 26 22.275 42.555 23.057 1.00 24.16 C ATOM 26 OP1 DC C 26 22.850 44.071 28.635 1.00 26.80 O ATOM 27 OP2 DC C 26 24.457 42.919 26.999 1.00 25.50 O ATOM 28 O5' DC C 26 22.112 43.522 26.310 1.00 25.38 O ATOM 29 C5' DC C 26 20.820 44.107 26.555 1.00 25.32 C ATOM 30 C4' DC C 26 19.826 43.723 25.482 1.00 25.73 C ATOM 31 O4' DC C 26 20.384 43.965 24.188 1.00 25.40 O ATOM 32 C3' DC C 26 19.585 42.246 25.493 1.00 26.07 C ATOM 33 O3' DC C 26 18.641 41.938 26.505 1.00 26.41 O ATOM 34 C2' DC C 26 19.002 42.067 24.121 1.00 25.35 C ATOM 35 C1' DC C 26 19.870 42.965 23.295 1.00 24.83 C HETATM 36 N1 BRU C 27 18.729 37.541 22.421 1.00 25.03 N HETATM 37 C2 BRU C 27 19.211 36.810 21.368 1.00 24.89 C HETATM 38 N3 BRU C 27 20.553 36.808 21.260 1.00 24.29 N HETATM 39 C4 BRU C 27 21.424 37.438 22.092 1.00 24.55 C HETATM 40 C5 BRU C 27 20.852 38.148 23.126 1.00 24.81 C HETATM 41 C6 BRU C 27 19.565 38.186 23.285 1.00 24.73 C HETATM 42 O2 BRU C 27 18.549 36.195 20.538 1.00 25.99 O HETATM 43 O4 BRU C 27 22.632 37.393 21.965 1.00 24.83 O HETATM 44 BR BRU C 27 22.023 39.028 24.250 1.00 28.39 BR HETATM 45 P BRU C 27 18.432 40.442 27.068 1.00 26.73 P HETATM 46 C1' BRU C 27 17.285 37.662 22.578 1.00 25.92 C HETATM 47 C2' BRU C 27 16.687 36.619 23.480 1.00 26.39 C HETATM 48 C3' BRU C 27 16.629 37.211 24.867 1.00 26.09 C HETATM 49 C4' BRU C 27 16.206 38.583 24.476 1.00 26.24 C HETATM 50 O3' BRU C 27 15.617 36.559 25.616 1.00 25.96 O HETATM 51 O4' BRU C 27 17.044 38.859 23.325 1.00 26.58 O HETATM 52 C5' BRU C 27 16.464 39.526 25.620 1.00 25.53 C HETATM 53 O5' BRU C 27 17.835 39.572 25.874 1.00 24.68 O HETATM 54 OP1 BRU C 27 17.481 40.540 28.211 1.00 27.90 O HETATM 55 OP2 BRU C 27 19.784 39.922 27.330 1.00 25.73 O ATOM 56 P DC C 28 16.016 35.364 26.540 1.00 24.00 P ATOM 57 N1 DC C 28 19.396 33.099 22.624 1.00 21.57 N ATOM 58 C2 DC C 28 20.467 32.638 21.940 1.00 21.25 C ATOM 59 O2 DC C 28 20.280 31.892 21.014 1.00 21.89 O ATOM 60 N3 DC C 28 21.714 33.036 22.226 1.00 20.21 N ATOM 61 C4 DC C 28 21.891 33.908 23.193 1.00 19.74 C ATOM 62 N4 DC C 28 23.108 34.324 23.438 1.00 20.03 N ATOM 63 C5 DC C 28 20.820 34.430 23.943 1.00 19.95 C ATOM 64 C6 DC C 28 19.594 33.992 23.617 1.00 20.97 C ATOM 65 OP1 DC C 28 14.758 34.979 27.200 1.00 25.60 O ATOM 66 OP2 DC C 28 17.193 35.720 27.340 1.00 22.87 O ATOM 67 O5' DC C 28 16.422 34.300 25.431 1.00 21.92 O ATOM 68 C5' DC C 28 15.454 33.590 24.699 1.00 21.56 C ATOM 69 C4' DC C 28 16.058 32.660 23.648 1.00 21.84 C ATOM 70 O4' DC C 28 16.950 33.399 22.819 1.00 22.33 O ATOM 71 C3' DC C 28 16.956 31.602 24.225 1.00 22.56 C ATOM 72 O3' DC C 28 16.206 30.433 24.651 1.00 21.83 O ATOM 73 C2' DC C 28 17.778 31.293 22.964 1.00 22.86 C ATOM 74 C1' DC C 28 18.020 32.597 22.261 1.00 22.14 C ATOM 75 P DT C 29 16.744 29.342 25.652 1.00 20.63 P ATOM 76 N1 DT C 29 21.435 28.818 23.158 1.00 17.82 N ATOM 77 C2 DT C 29 22.737 28.931 22.808 1.00 17.79 C ATOM 78 O2 DT C 29 23.278 28.250 21.948 1.00 19.10 O ATOM 79 N3 DT C 29 23.452 29.837 23.501 1.00 16.60 N ATOM 80 C4 DT C 29 23.018 30.630 24.486 1.00 16.58 C ATOM 81 O4 DT C 29 23.800 31.382 25.025 1.00 17.66 O ATOM 82 C5 DT C 29 21.670 30.469 24.808 1.00 16.10 C ATOM 83 C6 DT C 29 20.930 29.593 24.147 1.00 17.21 C ATOM 84 OP1 DT C 29 15.603 28.488 25.997 1.00 22.17 O ATOM 85 OP2 DT C 29 17.435 30.019 26.723 1.00 19.29 O ATOM 86 O5' DT C 29 17.790 28.568 24.823 1.00 19.25 O ATOM 87 C5' DT C 29 17.358 27.708 23.791 1.00 19.23 C ATOM 88 C4' DT C 29 18.502 27.110 23.031 1.00 19.38 C ATOM 89 O4' DT C 29 19.273 28.163 22.418 1.00 19.79 O ATOM 90 C3' DT C 29 19.470 26.512 23.995 1.00 19.84 C ATOM 91 O3' DT C 29 19.094 25.210 24.325 1.00 21.08 O ATOM 92 C2' DT C 29 20.609 26.495 23.099 1.00 19.21 C ATOM 93 C1' DT C 29 20.630 27.813 22.424 1.00 18.65 C ATOM 94 C7 DT C 29 21.108 31.268 25.938 1.00 15.59 C ATOM 95 P DG C 30 19.636 24.361 25.514 1.00 21.80 P ATOM 96 N9 DG C 30 24.638 24.959 24.259 1.00 14.04 N ATOM 97 C8 DG C 30 23.791 25.612 25.157 1.00 12.16 C ATOM 98 N7 DG C 30 24.345 26.595 25.769 1.00 12.33 N ATOM 99 C5 DG C 30 25.630 26.582 25.241 1.00 12.08 C ATOM 100 C6 DG C 30 26.730 27.398 25.488 1.00 12.26 C ATOM 101 O6 DG C 30 26.797 28.364 26.216 1.00 13.16 O ATOM 102 N1 DG C 30 27.857 27.075 24.795 1.00 11.09 N ATOM 103 C2 DG C 30 27.942 26.075 23.935 1.00 11.32 C ATOM 104 N2 DG C 30 29.152 25.795 23.533 1.00 11.57 N ATOM 105 N3 DG C 30 26.929 25.306 23.647 1.00 11.52 N ATOM 106 C4 DG C 30 25.814 25.600 24.337 1.00 12.38 C ATOM 107 OP1 DG C 30 18.683 23.268 25.657 1.00 24.59 O ATOM 108 OP2 DG C 30 19.866 25.187 26.686 1.00 20.80 O ATOM 109 O5' DG C 30 20.984 23.772 25.023 1.00 21.46 O ATOM 110 C5' DG C 30 21.048 22.814 23.972 1.00 21.20 C ATOM 111 C4' DG C 30 22.493 22.580 23.452 1.00 20.62 C ATOM 112 O4' DG C 30 23.089 23.780 22.919 1.00 18.72 O ATOM 113 C3' DG C 30 23.376 22.093 24.574 1.00 20.56 C ATOM 114 O3' DG C 30 23.314 20.672 24.653 1.00 21.91 O ATOM 115 C2' DG C 30 24.683 22.523 23.948 1.00 18.67 C ATOM 116 C1' DG C 30 24.438 23.846 23.310 1.00 16.76 C ATOM 117 P DG C 31 23.295 19.997 26.074 1.00 24.64 P ATOM 118 N9 DG C 31 26.866 24.627 27.983 1.00 19.66 N ATOM 119 C8 DG C 31 25.521 25.119 28.044 1.00 19.43 C ATOM 120 N7 DG C 31 25.424 26.377 28.474 1.00 19.60 N ATOM 121 C5 DG C 31 26.788 26.700 28.694 1.00 19.53 C ATOM 122 C6 DG C 31 27.422 27.881 29.148 1.00 19.65 C ATOM 123 O6 DG C 31 26.945 28.972 29.400 1.00 21.01 O ATOM 124 N1 DG C 31 28.787 27.799 29.229 1.00 18.98 N ATOM 125 C2 DG C 31 29.533 26.732 28.930 1.00 18.32 C ATOM 126 N2 DG C 31 30.836 26.877 29.051 1.00 17.82 N ATOM 127 N3 DG C 31 29.004 25.621 28.501 1.00 18.50 N ATOM 128 C4 DG C 31 27.641 25.660 28.405 1.00 19.05 C ATOM 129 OP1 DG C 31 23.445 18.553 25.901 1.00 26.43 O ATOM 130 OP2 DG C 31 22.152 20.478 26.848 1.00 25.67 O ATOM 131 O5' DG C 31 24.524 20.546 26.893 1.00 23.96 O ATOM 132 C5' DG C 31 25.873 20.132 26.746 1.00 22.61 C ATOM 133 C4' DG C 31 26.951 21.154 27.264 1.00 21.70 C ATOM 134 O4' DG C 31 26.585 22.484 26.965 1.00 21.17 O ATOM 135 C3' DG C 31 27.055 21.294 28.707 1.00 21.70 C ATOM 136 O3' DG C 31 27.776 20.208 29.245 1.00 23.79 O ATOM 137 C2' DG C 31 27.901 22.525 28.735 1.00 20.69 C ATOM 138 C1' DG C 31 27.508 23.334 27.575 1.00 20.19 C ATOM 139 P DT C 32 27.731 19.786 30.776 1.00 25.21 P ATOM 140 N1 DT C 32 29.454 24.588 32.065 1.00 28.81 N ATOM 141 C2 DT C 32 29.428 25.934 32.331 1.00 29.91 C ATOM 142 O2 DT C 32 30.420 26.610 32.581 1.00 30.77 O ATOM 143 N3 DT C 32 28.190 26.528 32.376 1.00 29.71 N ATOM 144 C4 DT C 32 26.999 25.904 32.191 1.00 30.05 C ATOM 145 O4 DT C 32 25.993 26.589 32.302 1.00 31.51 O ATOM 146 C5 DT C 32 27.081 24.500 31.932 1.00 29.47 C ATOM 147 C6 DT C 32 28.279 23.897 31.879 1.00 29.51 C ATOM 148 OP1 DT C 32 28.159 18.388 30.834 1.00 26.41 O ATOM 149 OP2 DT C 32 26.447 20.180 31.356 1.00 25.19 O ATOM 150 O5' DT C 32 28.777 20.630 31.559 1.00 25.36 O ATOM 151 C5' DT C 32 30.165 20.377 31.410 1.00 25.81 C ATOM 152 C4' DT C 32 31.044 21.626 31.774 1.00 27.09 C ATOM 153 O4' DT C 32 30.643 22.829 31.053 1.00 27.95 O ATOM 154 C3' DT C 32 30.931 21.931 33.239 1.00 28.24 C ATOM 155 O3' DT C 32 31.994 21.301 33.961 1.00 30.65 O ATOM 156 C2' DT C 32 31.246 23.392 33.168 1.00 28.05 C ATOM 157 C1' DT C 32 30.764 23.954 31.899 1.00 28.01 C ATOM 158 C7 DT C 32 25.832 23.681 31.713 1.00 29.11 C ATOM 159 P DC C 33 31.980 21.104 35.550 1.00 31.82 P ATOM 160 N1 DC C 33 30.170 26.234 36.377 1.00 28.83 N ATOM 161 C2 DC C 33 29.444 27.402 36.424 1.00 28.13 C ATOM 162 O2 DC C 33 30.000 28.458 36.695 1.00 27.63 O ATOM 163 N3 DC C 33 28.114 27.383 36.181 1.00 27.76 N ATOM 164 C4 DC C 33 27.545 26.213 35.896 1.00 27.98 C ATOM 165 N4 DC C 33 26.242 26.177 35.587 1.00 28.91 N ATOM 166 C5 DC C 33 28.290 24.986 35.857 1.00 27.10 C ATOM 167 C6 DC C 33 29.601 25.049 36.106 1.00 27.09 C ATOM 168 OP1 DC C 33 33.154 20.284 35.906 1.00 33.02 O ATOM 169 OP2 DC C 33 30.629 20.642 35.905 1.00 31.88 O ATOM 170 O5' DC C 33 32.153 22.572 36.115 1.00 30.71 O ATOM 171 C5' DC C 33 33.414 23.185 36.071 1.00 30.82 C ATOM 172 C4' DC C 33 33.242 24.602 36.568 1.00 31.74 C ATOM 173 O4' DC C 33 32.209 25.228 35.819 1.00 31.53 O ATOM 174 C3' DC C 33 32.713 24.672 37.962 1.00 32.79 C ATOM 175 O3' DC C 33 33.820 24.649 38.846 1.00 35.57 O ATOM 176 C2' DC C 33 32.093 26.033 37.934 1.00 32.00 C ATOM 177 C1' DC C 33 31.630 26.309 36.546 1.00 30.78 C ATOM 178 P DT C 34 33.657 24.590 40.447 1.00 38.24 P ATOM 179 N1 DT C 34 29.826 27.862 40.901 1.00 36.07 N ATOM 180 C2 DT C 34 28.740 28.477 40.389 1.00 34.87 C ATOM 181 O2 DT C 34 28.562 29.666 40.460 1.00 34.89 O ATOM 182 N3 DT C 34 27.801 27.734 39.806 1.00 34.37 N ATOM 183 C4 DT C 34 27.847 26.407 39.688 1.00 35.53 C ATOM 184 O4 DT C 34 26.933 25.814 39.154 1.00 36.20 O ATOM 185 C5 DT C 34 28.985 25.783 40.234 1.00 36.33 C ATOM 186 C6 DT C 34 29.929 26.526 40.816 1.00 36.31 C ATOM 187 OP1 DT C 34 35.000 24.472 41.043 1.00 38.58 O ATOM 188 OP2 DT C 34 32.601 23.593 40.778 1.00 38.47 O ATOM 189 O5' DT C 34 33.112 26.063 40.851 1.00 38.09 O ATOM 190 C5' DT C 34 33.946 27.224 40.726 1.00 38.67 C ATOM 191 C4' DT C 34 33.262 28.557 41.226 1.00 39.64 C ATOM 192 O4' DT C 34 31.978 28.862 40.566 1.00 38.99 O ATOM 193 C3' DT C 34 33.003 28.419 42.745 1.00 41.28 C ATOM 194 O3' DT C 34 33.209 29.695 43.343 1.00 44.00 O ATOM 195 C2' DT C 34 31.530 28.025 42.779 1.00 39.86 C ATOM 196 C1' DT C 34 30.900 28.699 41.515 1.00 38.18 C ATOM 197 C7 DT C 34 29.091 24.253 40.152 1.00 36.73 C ATOM 198 P DC C 35 32.941 29.938 44.943 1.00 46.15 P ATOM 199 N1 DC C 35 27.513 29.790 43.948 1.00 41.24 N ATOM 200 C2 DC C 35 26.288 29.698 43.286 1.00 40.77 C ATOM 201 O2 DC C 35 25.582 30.690 43.100 1.00 40.92 O ATOM 202 N3 DC C 35 25.828 28.497 42.849 1.00 39.87 N ATOM 203 C4 DC C 35 26.570 27.417 43.070 1.00 39.76 C ATOM 204 N4 DC C 35 26.052 26.260 42.680 1.00 39.38 N ATOM 205 C5 DC C 35 27.846 27.473 43.742 1.00 39.94 C ATOM 206 C6 DC C 35 28.274 28.686 44.162 1.00 40.32 C ATOM 207 OP1 DC C 35 33.852 31.069 45.300 1.00 46.45 O ATOM 208 OP2 DC C 35 32.845 28.653 45.721 1.00 45.78 O ATOM 209 O5' DC C 35 31.441 30.513 44.849 1.00 46.04 O ATOM 210 C5' DC C 35 31.311 31.811 44.271 1.00 45.86 C ATOM 211 C4' DC C 35 29.885 32.388 44.414 1.00 45.40 C ATOM 212 O4' DC C 35 28.889 31.703 43.581 1.00 44.66 O ATOM 213 C3' DC C 35 29.475 32.287 45.913 1.00 45.03 C ATOM 214 O3' DC C 35 28.701 33.438 46.203 1.00 45.45 O ATOM 215 C2' DC C 35 28.587 31.069 45.868 1.00 44.50 C ATOM 216 C1' DC C 35 27.913 31.135 44.462 1.00 43.23 C ATOM 217 P DC C 36 28.307 33.733 47.734 1.00 45.49 P ATOM 218 N1 DC C 36 24.027 30.351 46.575 1.00 33.07 N ATOM 219 C2 DC C 36 23.268 29.507 45.804 1.00 30.95 C ATOM 220 O2 DC C 36 22.252 29.904 45.261 1.00 31.08 O ATOM 221 N3 DC C 36 23.640 28.234 45.603 1.00 29.22 N ATOM 222 C4 DC C 36 24.759 27.820 46.157 1.00 29.24 C ATOM 223 N4 DC C 36 25.112 26.565 45.980 1.00 28.25 N ATOM 224 C5 DC C 36 25.581 28.670 46.954 1.00 30.13 C ATOM 225 C6 DC C 36 25.165 29.931 47.134 1.00 31.34 C ATOM 226 OP1 DC C 36 28.376 35.236 47.818 1.00 46.00 O ATOM 227 OP2 DC C 36 29.178 32.850 48.591 1.00 44.23 O ATOM 228 O5' DC C 36 26.712 33.221 47.655 1.00 43.99 O ATOM 229 C5' DC C 36 25.978 34.176 46.864 1.00 42.45 C ATOM 230 C4' DC C 36 24.507 33.920 46.727 1.00 41.19 C ATOM 231 O4' DC C 36 24.322 32.666 46.008 1.00 40.08 O ATOM 232 C3' DC C 36 23.835 33.813 48.095 1.00 40.71 C ATOM 233 O3' DC C 36 22.490 34.401 47.986 1.00 41.92 O ATOM 234 C2' DC C 36 23.833 32.275 48.252 1.00 39.02 C ATOM 235 C1' DC C 36 23.551 31.749 46.823 1.00 37.34 C TER 236 DC C 36 ATOM 237 N9 DG D 37 19.519 24.404 42.129 1.00 39.22 N ATOM 238 C8 DG D 37 20.379 23.328 42.059 1.00 37.97 C ATOM 239 N7 DG D 37 21.506 23.519 42.708 1.00 36.27 N ATOM 240 C5 DG D 37 21.378 24.815 43.239 1.00 34.98 C ATOM 241 C6 DG D 37 22.277 25.568 44.035 1.00 34.02 C ATOM 242 O6 DG D 37 23.373 25.218 44.476 1.00 34.51 O ATOM 243 N1 DG D 37 21.765 26.808 44.338 1.00 32.77 N ATOM 244 C2 DG D 37 20.541 27.265 43.942 1.00 32.55 C ATOM 245 N2 DG D 37 20.246 28.480 44.328 1.00 31.90 N ATOM 246 N3 DG D 37 19.670 26.579 43.206 1.00 33.68 N ATOM 247 C4 DG D 37 20.168 25.359 42.884 1.00 35.80 C ATOM 248 O5' DG D 37 17.527 21.063 41.146 1.00 50.62 O ATOM 249 C5' DG D 37 16.263 21.639 41.563 1.00 49.42 C ATOM 250 C4' DG D 37 16.258 23.205 41.469 1.00 48.42 C ATOM 251 O4' DG D 37 17.283 23.786 42.356 1.00 46.82 O ATOM 252 C3' DG D 37 16.530 23.712 39.998 1.00 48.46 C ATOM 253 O3' DG D 37 15.749 24.924 39.899 1.00 50.31 O ATOM 254 C2' DG D 37 18.045 23.993 40.093 1.00 46.40 C ATOM 255 C1' DG D 37 18.179 24.566 41.535 1.00 44.01 C ATOM 256 P DG D 38 15.464 25.578 38.419 1.00 51.83 P ATOM 257 N9 DG D 38 19.763 28.472 40.113 1.00 44.16 N ATOM 258 C8 DG D 38 19.890 27.175 39.638 1.00 43.11 C ATOM 259 N7 DG D 38 21.043 26.588 39.897 1.00 41.94 N ATOM 260 C5 DG D 38 21.732 27.585 40.594 1.00 41.32 C ATOM 261 C6 DG D 38 23.038 27.561 41.143 1.00 40.58 C ATOM 262 O6 DG D 38 23.854 26.639 41.096 1.00 40.71 O ATOM 263 N1 DG D 38 23.372 28.735 41.762 1.00 40.28 N ATOM 264 C2 DG D 38 22.528 29.813 41.846 1.00 41.27 C ATOM 265 N2 DG D 38 23.017 30.859 42.485 1.00 41.26 N ATOM 266 N3 DG D 38 21.286 29.873 41.341 1.00 41.87 N ATOM 267 C4 DG D 38 20.958 28.718 40.725 1.00 42.31 C ATOM 268 OP1 DG D 38 13.981 25.694 38.171 1.00 52.11 O ATOM 269 OP2 DG D 38 16.323 24.829 37.445 1.00 52.05 O ATOM 270 O5' DG D 38 16.125 27.040 38.765 1.00 50.39 O ATOM 271 C5' DG D 38 15.386 27.911 39.596 1.00 49.45 C ATOM 272 C4' DG D 38 16.226 29.161 39.848 1.00 49.10 C ATOM 273 O4' DG D 38 17.447 28.826 40.567 1.00 48.41 O ATOM 274 C3' DG D 38 16.672 29.835 38.539 1.00 49.21 C ATOM 275 O3' DG D 38 16.512 31.236 38.719 1.00 50.54 O ATOM 276 C2' DG D 38 18.161 29.498 38.503 1.00 48.06 C ATOM 277 C1' DG D 38 18.621 29.422 39.969 1.00 46.77 C ATOM 278 P DA D 39 16.757 32.166 37.415 1.00 51.61 P ATOM 279 N9 DA D 39 22.080 31.639 38.144 1.00 39.21 N ATOM 280 C8 DA D 39 21.332 30.667 37.503 1.00 38.05 C ATOM 281 N7 DA D 39 21.910 29.495 37.482 1.00 36.89 N ATOM 282 C5 DA D 39 23.128 29.719 38.151 1.00 36.07 C ATOM 283 C6 DA D 39 24.200 28.871 38.463 1.00 35.42 C ATOM 284 N6 DA D 39 24.209 27.602 38.081 1.00 35.65 N ATOM 285 N1 DA D 39 25.253 29.355 39.125 1.00 34.68 N ATOM 286 C2 DA D 39 25.206 30.642 39.449 1.00 34.91 C ATOM 287 N3 DA D 39 24.278 31.564 39.225 1.00 35.66 N ATOM 288 C4 DA D 39 23.239 31.014 38.554 1.00 36.67 C ATOM 289 OP1 DA D 39 15.814 33.341 37.501 1.00 52.26 O ATOM 290 OP2 DA D 39 16.802 31.267 36.211 1.00 51.69 O ATOM 291 O5' DA D 39 18.251 32.671 37.727 1.00 49.92 O ATOM 292 C5' DA D 39 18.308 33.617 38.782 1.00 48.11 C ATOM 293 C4' DA D 39 19.715 34.148 38.951 1.00 46.46 C ATOM 294 O4' DA D 39 20.593 33.043 39.260 1.00 45.08 O ATOM 295 C3' DA D 39 20.203 34.828 37.682 1.00 45.96 C ATOM 296 O3' DA D 39 20.906 35.993 38.072 1.00 47.33 O ATOM 297 C2' DA D 39 21.139 33.778 37.141 1.00 44.51 C ATOM 298 C1' DA D 39 21.711 33.056 38.374 1.00 42.90 C ATOM 299 P DG D 40 21.204 37.100 36.920 1.00 48.81 P ATOM 300 N9 DG D 40 25.031 33.145 35.646 1.00 40.17 N ATOM 301 C8 DG D 40 23.903 32.646 35.048 1.00 39.00 C ATOM 302 N7 DG D 40 23.921 31.346 34.908 1.00 38.04 N ATOM 303 C5 DG D 40 25.149 30.981 35.463 1.00 37.83 C ATOM 304 C6 DG D 40 25.753 29.711 35.605 1.00 37.26 C ATOM 305 O6 DG D 40 25.332 28.614 35.239 1.00 37.35 O ATOM 306 N1 DG D 40 26.980 29.790 36.210 1.00 36.99 N ATOM 307 C2 DG D 40 27.555 30.949 36.622 1.00 37.71 C ATOM 308 N2 DG D 40 28.745 30.810 37.184 1.00 38.34 N ATOM 309 N3 DG D 40 27.006 32.157 36.499 1.00 37.77 N ATOM 310 C4 DG D 40 25.809 32.082 35.910 1.00 38.54 C ATOM 311 OP1 DG D 40 21.193 38.460 37.566 1.00 49.08 O ATOM 312 OP2 DG D 40 20.355 36.780 35.722 1.00 48.79 O ATOM 313 O5' DG D 40 22.698 36.695 36.524 1.00 47.44 O ATOM 314 C5' DG D 40 23.723 37.108 37.437 1.00 45.91 C ATOM 315 C4' DG D 40 25.030 36.483 36.998 1.00 44.36 C ATOM 316 O4' DG D 40 24.933 35.022 37.108 1.00 43.86 O ATOM 317 C3' DG D 40 25.260 36.845 35.506 1.00 43.48 C ATOM 318 O3' DG D 40 26.623 37.115 35.209 1.00 43.62 O ATOM 319 C2' DG D 40 24.914 35.517 34.886 1.00 43.15 C ATOM 320 C1' DG D 40 25.477 34.524 35.897 1.00 42.44 C ATOM 321 P DA D 41 26.940 37.930 33.817 1.00 43.65 P ATOM 322 N9 DA D 41 29.337 33.493 34.000 1.00 30.56 N ATOM 323 C8 DA D 41 28.121 33.928 33.552 1.00 29.44 C ATOM 324 N7 DA D 41 27.355 32.980 33.050 1.00 28.11 N ATOM 325 C5 DA D 41 28.118 31.836 33.181 1.00 26.85 C ATOM 326 C6 DA D 41 27.884 30.514 32.843 1.00 25.07 C ATOM 327 N6 DA D 41 26.775 30.095 32.289 1.00 24.23 N ATOM 328 N1 DA D 41 28.818 29.614 33.091 1.00 25.42 N ATOM 329 C2 DA D 41 29.946 30.024 33.644 1.00 26.46 C ATOM 330 N3 DA D 41 30.305 31.244 34.013 1.00 27.62 N ATOM 331 C4 DA D 41 29.319 32.128 33.749 1.00 28.44 C ATOM 332 OP1 DA D 41 27.017 39.377 34.159 1.00 43.88 O ATOM 333 OP2 DA D 41 26.132 37.459 32.640 1.00 42.66 O ATOM 334 O5' DA D 41 28.438 37.394 33.597 1.00 42.23 O ATOM 335 C5' DA D 41 29.546 37.763 34.449 1.00 39.62 C ATOM 336 C4' DA D 41 30.575 36.594 34.563 1.00 37.12 C ATOM 337 O4' DA D 41 29.919 35.493 35.223 1.00 35.36 O ATOM 338 C3' DA D 41 31.035 36.045 33.203 1.00 35.82 C ATOM 339 O3' DA D 41 32.157 36.717 32.629 1.00 35.71 O ATOM 340 C2' DA D 41 31.527 34.734 33.726 1.00 34.86 C ATOM 341 C1' DA D 41 30.435 34.265 34.692 1.00 33.52 C ATOM 342 P DC D 42 32.330 36.622 31.032 1.00 36.05 P ATOM 343 N1 DC D 42 31.416 31.513 30.533 1.00 24.36 N ATOM 344 C2 DC D 42 30.765 30.358 30.210 1.00 23.80 C ATOM 345 O2 DC D 42 31.254 29.233 30.259 1.00 24.10 O ATOM 346 N3 DC D 42 29.501 30.453 29.785 1.00 23.34 N ATOM 347 C4 DC D 42 28.884 31.610 29.667 1.00 23.31 C ATOM 348 N4 DC D 42 27.647 31.611 29.203 1.00 22.94 N ATOM 349 C5 DC D 42 29.531 32.814 29.997 1.00 23.78 C ATOM 350 C6 DC D 42 30.799 32.710 30.427 1.00 23.97 C ATOM 351 OP1 DC D 42 33.513 37.455 30.678 1.00 37.07 O ATOM 352 OP2 DC D 42 31.007 36.792 30.371 1.00 35.30 O ATOM 353 O5' DC D 42 32.730 35.086 30.842 1.00 34.06 O ATOM 354 C5' DC D 42 34.050 34.680 31.190 1.00 30.79 C ATOM 355 C4' DC D 42 34.206 33.196 30.962 1.00 28.16 C ATOM 356 O4' DC D 42 33.120 32.622 31.661 1.00 26.80 O ATOM 357 C3' DC D 42 34.101 32.716 29.507 1.00 26.74 C ATOM 358 O3' DC D 42 35.378 32.649 28.875 1.00 26.84 O ATOM 359 C2' DC D 42 33.693 31.330 29.806 1.00 26.09 C ATOM 360 C1' DC D 42 32.787 31.434 30.980 1.00 25.64 C ATOM 361 P DC D 43 35.524 32.840 27.287 1.00 27.33 P ATOM 362 N1 DC D 43 32.153 28.773 25.963 1.00 19.33 N ATOM 363 C2 DC D 43 31.064 28.150 25.515 1.00 19.04 C ATOM 364 O2 DC D 43 31.144 27.075 24.970 1.00 19.12 O ATOM 365 N3 DC D 43 29.865 28.689 25.713 1.00 19.31 N ATOM 366 C4 DC D 43 29.761 29.833 26.362 1.00 19.10 C ATOM 367 N4 DC D 43 28.567 30.365 26.532 1.00 18.38 N ATOM 368 C5 DC D 43 30.896 30.504 26.856 1.00 18.24 C ATOM 369 C6 DC D 43 32.071 29.927 26.627 1.00 18.23 C ATOM 370 OP1 DC D 43 36.946 33.095 26.984 1.00 29.05 O ATOM 371 OP2 DC D 43 34.486 33.799 26.832 1.00 26.46 O ATOM 372 O5' DC D 43 35.160 31.386 26.754 1.00 25.51 O ATOM 373 C5' DC D 43 36.131 30.385 26.585 1.00 23.12 C ATOM 374 C4' DC D 43 35.487 29.249 25.871 1.00 21.51 C ATOM 375 O4' DC D 43 34.383 28.742 26.572 1.00 20.80 O ATOM 376 C3' DC D 43 34.855 29.732 24.629 1.00 20.76 C ATOM 377 O3' DC D 43 35.901 29.846 23.710 1.00 21.80 O ATOM 378 C2' DC D 43 33.941 28.594 24.347 1.00 19.66 C ATOM 379 C1' DC D 43 33.442 28.182 25.671 1.00 19.95 C ATOM 380 P DA D 44 35.847 30.683 22.390 1.00 22.55 P ATOM 381 N9 DA D 44 30.042 29.664 22.064 1.00 19.00 N ATOM 382 C8 DA D 44 30.344 30.730 22.833 1.00 19.03 C ATOM 383 N7 DA D 44 29.345 31.310 23.441 1.00 19.81 N ATOM 384 C5 DA D 44 28.298 30.550 23.029 1.00 19.37 C ATOM 385 C6 DA D 44 26.970 30.622 23.299 1.00 18.95 C ATOM 386 N6 DA D 44 26.421 31.497 24.089 1.00 19.28 N ATOM 387 N1 DA D 44 26.199 29.739 22.739 1.00 19.03 N ATOM 388 C2 DA D 44 26.724 28.830 21.955 1.00 19.52 C ATOM 389 N3 DA D 44 27.963 28.626 21.602 1.00 19.60 N ATOM 390 C4 DA D 44 28.713 29.553 22.194 1.00 19.57 C ATOM 391 OP1 DA D 44 37.219 30.710 21.859 1.00 23.54 O ATOM 392 OP2 DA D 44 35.164 31.961 22.609 1.00 22.46 O ATOM 393 O5' DA D 44 34.928 29.789 21.500 1.00 20.82 O ATOM 394 C5' DA D 44 34.015 30.359 20.600 1.00 20.06 C ATOM 395 C4' DA D 44 32.945 29.381 20.313 1.00 20.84 C ATOM 396 O4' DA D 44 32.272 29.083 21.530 1.00 21.10 O ATOM 397 C3' DA D 44 31.895 29.975 19.480 1.00 21.70 C ATOM 398 O3' DA D 44 32.254 29.911 18.117 1.00 23.30 O ATOM 399 C2' DA D 44 30.805 28.987 19.795 1.00 20.96 C ATOM 400 C1' DA D 44 30.909 28.766 21.277 1.00 20.15 C ATOM 401 P DG D 45 31.674 31.016 17.152 1.00 24.63 P ATOM 402 N9 DG D 45 26.705 30.459 18.625 1.00 24.27 N ATOM 403 C8 DG D 45 27.734 31.195 19.086 1.00 24.45 C ATOM 404 N7 DG D 45 27.419 32.051 20.021 1.00 24.93 N ATOM 405 C5 DG D 45 26.069 31.857 20.175 1.00 24.62 C ATOM 406 C6 DG D 45 25.158 32.484 21.041 1.00 25.10 C ATOM 407 O6 DG D 45 25.396 33.308 21.914 1.00 25.31 O ATOM 408 N1 DG D 45 23.875 31.993 20.870 1.00 25.37 N ATOM 409 C2 DG D 45 23.548 31.007 19.976 1.00 25.24 C ATOM 410 N2 DG D 45 22.291 30.591 19.953 1.00 25.21 N ATOM 411 N3 DG D 45 24.420 30.424 19.170 1.00 24.95 N ATOM 412 C4 DG D 45 25.645 30.894 19.319 1.00 24.23 C ATOM 413 OP1 DG D 45 32.410 30.827 15.904 1.00 25.54 O ATOM 414 OP2 DG D 45 31.692 32.306 17.861 1.00 23.29 O ATOM 415 O5' DG D 45 30.182 30.741 16.796 1.00 24.54 O ATOM 416 C5' DG D 45 29.922 29.558 16.070 1.00 25.88 C ATOM 417 C4' DG D 45 28.454 29.139 16.136 1.00 26.65 C ATOM 418 O4' DG D 45 28.016 28.895 17.494 1.00 26.50 O ATOM 419 C3' DG D 45 27.614 30.258 15.641 1.00 27.52 C ATOM 420 O3' DG D 45 27.587 30.201 14.229 1.00 29.31 O ATOM 421 C2' DG D 45 26.342 29.772 16.255 1.00 26.76 C ATOM 422 C1' DG D 45 26.686 29.353 17.668 1.00 25.62 C ATOM 423 P DA D 46 27.084 31.431 13.352 1.00 29.89 P ATOM 424 N9 DA D 46 22.940 32.596 16.704 1.00 25.63 N ATOM 425 C8 DA D 46 24.257 32.913 16.746 1.00 26.00 C ATOM 426 N7 DA D 46 24.527 33.837 17.631 1.00 26.37 N ATOM 427 C5 DA D 46 23.321 34.144 18.206 1.00 25.56 C ATOM 428 C6 DA D 46 22.939 35.043 19.201 1.00 25.93 C ATOM 429 N6 DA D 46 23.765 35.856 19.820 1.00 26.13 N ATOM 430 N1 DA D 46 21.666 35.099 19.541 1.00 26.15 N ATOM 431 C2 DA D 46 20.846 34.292 18.894 1.00 26.33 C ATOM 432 N3 DA D 46 21.078 33.411 17.949 1.00 26.14 N ATOM 433 C4 DA D 46 22.360 33.390 17.642 1.00 25.51 C ATOM 434 OP1 DA D 46 27.117 31.009 11.925 1.00 30.23 O ATOM 435 OP2 DA D 46 27.807 32.632 13.827 1.00 29.33 O ATOM 436 O5' DA D 46 25.554 31.614 13.747 1.00 28.16 O ATOM 437 C5' DA D 46 24.592 30.673 13.258 1.00 27.47 C ATOM 438 C4' DA D 46 23.183 30.895 13.823 1.00 27.64 C ATOM 439 O4' DA D 46 23.231 30.832 15.233 1.00 27.15 O ATOM 440 C3' DA D 46 22.676 32.299 13.610 1.00 28.45 C ATOM 441 O3' DA D 46 22.139 32.383 12.292 1.00 30.09 O ATOM 442 C2' DA D 46 21.621 32.343 14.680 1.00 26.82 C ATOM 443 C1' DA D 46 22.252 31.663 15.830 1.00 26.24 C ATOM 444 P DG D 47 22.142 33.777 11.497 1.00 32.27 P ATOM 445 N9 DG D 47 20.423 36.710 16.012 1.00 25.82 N ATOM 446 C8 DG D 47 21.696 36.465 15.694 1.00 25.39 C ATOM 447 N7 DG D 47 22.547 37.088 16.459 1.00 25.48 N ATOM 448 C5 DG D 47 21.762 37.792 17.340 1.00 24.76 C ATOM 449 C6 DG D 47 22.114 38.649 18.388 1.00 24.52 C ATOM 450 O6 DG D 47 23.235 38.980 18.747 1.00 24.46 O ATOM 451 N1 DG D 47 21.021 39.143 19.026 1.00 24.83 N ATOM 452 C2 DG D 47 19.750 38.850 18.682 1.00 26.56 C ATOM 453 N2 DG D 47 18.806 39.348 19.465 1.00 27.46 N ATOM 454 N3 DG D 47 19.415 38.054 17.690 1.00 26.63 N ATOM 455 C4 DG D 47 20.468 37.561 17.064 1.00 25.23 C ATOM 456 OP1 DG D 47 21.564 33.499 10.173 1.00 33.55 O ATOM 457 OP2 DG D 47 23.435 34.476 11.579 1.00 32.15 O ATOM 458 O5' DG D 47 21.132 34.696 12.327 1.00 31.57 O ATOM 459 C5' DG D 47 19.724 34.487 12.189 1.00 30.46 C ATOM 460 C4' DG D 47 18.987 35.337 13.208 1.00 30.21 C ATOM 461 O4' DG D 47 19.483 35.079 14.528 1.00 29.56 O ATOM 462 C3' DG D 47 19.366 36.802 13.080 1.00 30.99 C ATOM 463 O3' DG D 47 18.736 37.435 11.974 1.00 32.75 O ATOM 464 C2' DG D 47 18.751 37.260 14.369 1.00 29.72 C ATOM 465 C1' DG D 47 19.221 36.213 15.368 1.00 28.26 C ATOM 466 P DG D 48 18.964 38.985 11.698 1.00 34.05 P ATOM 467 N9 DG D 48 20.022 41.301 16.203 1.00 26.00 N ATOM 468 C8 DG D 48 20.967 40.653 15.492 1.00 25.31 C ATOM 469 N7 DG D 48 22.178 40.911 15.890 1.00 25.62 N ATOM 470 C5 DG D 48 22.013 41.801 16.940 1.00 25.17 C ATOM 471 C6 DG D 48 22.953 42.441 17.764 1.00 25.09 C ATOM 472 O6 DG D 48 24.169 42.414 17.750 1.00 25.72 O ATOM 473 N1 DG D 48 22.386 43.239 18.684 1.00 24.77 N ATOM 474 C2 DG D 48 21.068 43.415 18.817 1.00 24.58 C ATOM 475 N2 DG D 48 20.705 44.208 19.801 1.00 24.18 N ATOM 476 N3 DG D 48 20.157 42.835 18.058 1.00 25.12 N ATOM 477 C4 DG D 48 20.701 42.041 17.132 1.00 25.14 C ATOM 478 OP1 DG D 48 19.064 39.096 10.240 1.00 34.75 O ATOM 479 OP2 DG D 48 20.023 39.562 12.531 1.00 33.74 O ATOM 480 O5' DG D 48 17.570 39.493 12.225 1.00 33.42 O ATOM 481 C5' DG D 48 17.498 40.811 12.780 1.00 32.71 C ATOM 482 C4' DG D 48 17.074 40.777 14.223 1.00 31.21 C ATOM 483 O4' DG D 48 18.158 40.265 15.020 1.00 30.08 O ATOM 484 C3' DG D 48 16.803 42.137 14.746 1.00 30.89 C ATOM 485 O3' DG D 48 15.935 42.064 15.844 1.00 32.65 O ATOM 486 C2' DG D 48 18.117 42.527 15.300 1.00 29.95 C ATOM 487 C1' DG D 48 18.563 41.266 15.988 1.00 28.81 C TER 488 DG D 48 HETATM 489 PT1 CPT C 50 23.797 26.808 27.590 1.00 26.46 PT HETATM 490 N1 CPT C 50 22.388 27.907 26.973 1.00 24.71 N HETATM 491 N2 CPT C 50 23.775 27.645 29.313 1.00 24.53 N CONECT 36 37 41 CONECT 37 36 38 42 CONECT 38 37 39 CONECT 39 38 40 43 CONECT 40 39 41 44 CONECT 41 36 40 CONECT 42 37 CONECT 43 39 CONECT 44 40 CONECT 97 489 CONECT 98 489 CONECT 99 489 CONECT 119 489 CONECT 120 489 CONECT 121 489 CONECT 489 97 98 99 119 CONECT 489 120 121 490 491 CONECT 490 489 CONECT 491 489 MASTER 7 0 0 0 0 0 0 6 1040 4 19 4 END