HEADER DNA 05-JAN-98 XXXX TITLE CRYSTAL STRUCTURE OF A DOUBLE-STRANDED DNA DECAMER TITLE 2 CONTAINING A CISPLATIN INTERSTRAND CROSS-LINK ADDUCT COMPND 5'-D(*CP*CP*TP*CP*GP*CP*TP*CP*TP*C)-3', 5'- COMPND 2 D(*GP*AP*GP*AP*GP*CP*GP*AP*GP*G)-3', CIS-PLATINUM KEYWDS ANTITUMOR DRUG, CIS-DDP, INTERSTRAND CROSS-LINK EXPDTA X-RAY DIFFRACTION AUTHOR F.COSTE, C.ZELWER JRNL AUTH F.COSTE, J.M.MALINGE, L.SERRE, W.SHEPARD, M.ROTH, JRNL AUTH 2 M.LENG, C.ZELWER JRNL TITL CRYSTAL STRUCTURE OF A DOUBLE-STRANDED DNA JRNL TITL 2 CONTAINING A CISPLATIN INTERSTRAND CROSS-LINK AT JRNL TITL 3 1.63 A RESOLUTION: HYDRATION AT THE PLATINATED JRNL TITL 4 SITE. JRNL REF NUCLEIC ACIDS RES. V. 27 1837 1999 JRNL REFN ASTM NARHAD UK ISSN 0305-1048 REMARK 1 SEQRES 1 A 10 DC DC DT DC DG DC DT DC DT DC SEQRES 1 B 10 DG DA DG DA DG DC DG DA DG DG HETNAM CPT CIS-PLATINUM-(NH3)2 HETSYN CPT CIS-DIAMMINE-PLATINUM(II) FORMUL 3 CPT H6 N2 PT FORMUL 4 HOH *92(H2 O) LINK N7 DG A 5 PT1 CPT 101 LINK N7 DG B 15 PT1 CPT 101 CRYST1 42.890 29.980 46.570 90.00 95.98 90.00 C 1 2 1 4 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 0.023315 0.000000 0.002442 0.00000 SCALE2 0.000000 0.033356 0.000000 0.00000 SCALE3 0.000000 0.000000 0.021591 0.00000 ATOM 1 N1 DC A 1 -1.188 10.312 51.329 1.00 13.15 N ATOM 2 C2 DC A 1 -1.550 9.625 50.166 1.00 13.80 C ATOM 3 O2 DC A 1 -1.615 8.389 50.231 1.00 15.03 O ATOM 4 N3 DC A 1 -1.819 10.313 49.040 1.00 13.68 N ATOM 5 C4 DC A 1 -1.733 11.645 49.036 1.00 13.84 C ATOM 6 N4 DC A 1 -2.002 12.307 47.902 1.00 13.84 N ATOM 7 C5 DC A 1 -1.363 12.369 50.202 1.00 13.60 C ATOM 8 C6 DC A 1 -1.096 11.676 51.320 1.00 11.56 C ATOM 9 O5' DC A 1 1.114 12.575 53.903 1.00 24.06 O ATOM 10 C5' DC A 1 0.727 11.742 54.971 1.00 17.61 C ATOM 11 C4' DC A 1 0.361 10.408 54.338 1.00 20.40 C ATOM 12 O4' DC A 1 -0.888 10.508 53.601 1.00 16.07 O ATOM 13 C3' DC A 1 1.303 9.782 53.266 1.00 19.35 C ATOM 14 O3' DC A 1 2.399 9.141 53.890 1.00 19.86 O ATOM 15 C2' DC A 1 0.433 8.829 52.473 1.00 13.27 C ATOM 16 C1' DC A 1 -0.916 9.551 52.486 1.00 10.67 C ATOM 17 P DC A 2 3.768 8.952 53.118 1.00 27.25 P ANISOU 17 P DC A 2 2607 3413 4333 145 360 857 P ATOM 18 N1 DC A 2 1.504 8.006 48.285 1.00 17.59 N ATOM 19 C2 DC A 2 1.036 8.175 46.986 1.00 14.89 C ATOM 20 O2 DC A 2 0.729 7.171 46.324 1.00 16.81 O ATOM 21 N3 DC A 2 0.899 9.411 46.441 1.00 15.07 N ATOM 22 C4 DC A 2 1.246 10.456 47.202 1.00 14.65 C ATOM 23 N4 DC A 2 1.097 11.662 46.621 1.00 16.84 N ATOM 24 C5 DC A 2 1.729 10.307 48.523 1.00 12.44 C ATOM 25 C6 DC A 2 1.864 9.074 49.065 1.00 11.66 C ATOM 26 OP1 DC A 2 4.650 8.164 54.040 1.00 30.20 O ATOM 27 OP2 DC A 2 4.141 10.287 52.533 1.00 22.26 O ATOM 28 O5' DC A 2 3.378 7.980 51.863 1.00 20.51 O ATOM 29 C5' DC A 2 3.013 6.635 52.146 1.00 18.27 C ATOM 30 C4' DC A 2 2.614 6.026 50.845 1.00 12.31 C ATOM 31 O4' DC A 2 1.520 6.720 50.225 1.00 15.61 O ATOM 32 C3' DC A 2 3.695 6.049 49.692 1.00 13.04 C ATOM 33 O3' DC A 2 4.620 4.995 49.890 1.00 19.36 O ATOM 34 C2' DC A 2 2.918 5.948 48.424 1.00 15.41 C ATOM 35 C1' DC A 2 1.608 6.663 48.759 1.00 23.03 C ATOM 36 P DT A 3 5.941 4.819 49.040 1.00 26.13 P ANISOU 36 P DT A 3 2389 3532 4007 1331 2018 779 P ATOM 37 N1 DT A 3 3.798 5.824 44.118 1.00 20.35 N ATOM 38 C2 DT A 3 3.241 6.485 43.044 1.00 16.38 C ATOM 39 O2 DT A 3 2.760 5.975 42.046 1.00 18.68 O ATOM 40 N3 DT A 3 3.271 7.851 43.192 1.00 17.82 N ATOM 41 C4 DT A 3 3.770 8.592 44.241 1.00 14.73 C ATOM 42 O4 DT A 3 3.697 9.819 44.176 1.00 17.00 O ATOM 43 C5 DT A 3 4.336 7.828 45.337 1.00 13.81 C ATOM 44 C6 DT A 3 4.315 6.487 45.204 1.00 16.14 C ATOM 45 OP1 DT A 3 6.663 3.651 49.634 1.00 23.38 O ATOM 46 OP2 DT A 3 6.596 6.153 48.865 1.00 28.27 O ATOM 47 O5' DT A 3 5.353 4.386 47.582 1.00 26.87 O ATOM 48 C5' DT A 3 4.662 3.165 47.402 1.00 17.11 C ATOM 49 C4' DT A 3 4.417 3.023 45.936 1.00 18.79 C ATOM 50 O4' DT A 3 3.465 3.973 45.419 1.00 24.65 O ATOM 51 C3' DT A 3 5.665 3.272 45.007 1.00 28.30 C ATOM 52 O3' DT A 3 6.420 2.083 44.948 1.00 28.49 O ATOM 53 C2' DT A 3 5.124 3.714 43.682 1.00 19.33 C ATOM 54 C1' DT A 3 3.808 4.397 44.050 1.00 28.34 C ATOM 55 C7 DT A 3 4.898 8.554 46.506 1.00 19.37 C ATOM 56 P DC A 4 7.990 2.194 44.906 1.00 28.08 P ANISOU 56 P DC A 4 4049 3498 3123 1870 911 1511 P ATOM 57 N1 DC A 4 7.723 5.246 41.197 1.00 13.09 N ATOM 58 C2 DC A 4 6.940 6.184 40.516 1.00 15.00 C ATOM 59 O2 DC A 4 6.582 5.949 39.370 1.00 15.90 O ATOM 60 N3 DC A 4 6.593 7.339 41.151 1.00 15.85 N ATOM 61 C4 DC A 4 6.991 7.572 42.395 1.00 15.71 C ATOM 62 N4 DC A 4 6.613 8.727 42.961 1.00 21.20 N ATOM 63 C5 DC A 4 7.793 6.641 43.126 1.00 20.11 C ATOM 64 C6 DC A 4 8.125 5.509 42.478 1.00 17.55 C ATOM 65 OP1 DC A 4 8.548 0.883 45.375 1.00 27.54 O ATOM 66 OP2 DC A 4 8.416 3.540 45.397 1.00 40.06 O ATOM 67 O5' DC A 4 8.281 2.199 43.286 1.00 20.07 O ATOM 68 C5' DC A 4 7.685 1.192 42.466 1.00 18.54 C ATOM 69 C4' DC A 4 7.885 1.733 41.070 1.00 13.84 C ATOM 70 O4' DC A 4 7.173 2.971 40.885 1.00 20.02 O ATOM 71 C3' DC A 4 9.363 2.061 40.684 1.00 18.42 C ATOM 72 O3' DC A 4 9.634 1.593 39.376 1.00 13.43 O ATOM 73 C2' DC A 4 9.499 3.562 40.845 1.00 12.96 C ATOM 74 C1' DC A 4 8.074 4.052 40.508 1.00 19.59 C ATOM 75 P DG A 5 10.974 0.774 39.081 1.00 17.26 P ANISOU 75 P DG A 5 2159 1698 2700 -92 580 326 P ATOM 76 N9 DG A 5 12.908 6.456 36.501 1.00 14.65 N ATOM 77 C8 DG A 5 11.708 6.278 35.873 1.00 15.03 C ATOM 78 N7 DG A 5 11.086 7.394 35.656 1.00 12.69 N ATOM 79 C5 DG A 5 11.922 8.390 36.170 1.00 12.65 C ATOM 80 C6 DG A 5 11.794 9.804 36.230 1.00 13.92 C ATOM 81 O6 DG A 5 10.896 10.561 35.838 1.00 13.72 O ATOM 82 N1 DG A 5 12.906 10.401 36.850 1.00 10.67 N ATOM 83 C2 DG A 5 13.992 9.731 37.346 1.00 11.88 C ATOM 84 N2 DG A 5 14.945 10.491 37.901 1.00 17.26 N ATOM 85 N3 DG A 5 14.129 8.401 37.298 1.00 13.78 N ATOM 86 C4 DG A 5 13.059 7.814 36.700 1.00 12.03 C ATOM 87 OP1 DG A 5 10.739 0.123 37.738 1.00 18.73 O ATOM 88 OP2 DG A 5 11.447 0.048 40.302 1.00 21.09 O ATOM 89 O5' DG A 5 12.092 1.955 38.900 1.00 15.87 O ATOM 90 C5' DG A 5 11.991 2.784 37.744 1.00 18.19 C ATOM 91 C4' DG A 5 13.407 3.175 37.428 1.00 14.55 C ATOM 92 O4' DG A 5 13.450 4.169 36.363 1.00 14.68 O ATOM 93 C3' DG A 5 14.236 3.834 38.573 1.00 18.66 C ATOM 94 O3' DG A 5 15.584 3.459 38.435 1.00 17.20 O ATOM 95 C2' DG A 5 13.989 5.312 38.428 1.00 16.70 C ATOM 96 C1' DG A 5 13.865 5.468 36.904 1.00 14.74 C ATOM 97 P DC A 6 16.385 2.418 39.311 1.00 21.38 P ANISOU 97 P DC A 6 2370 1712 4042 149 -970 57 P ATOM 98 N1 DC A 6 15.946 -2.391 40.394 1.00 12.81 N ATOM 99 C2 DC A 6 16.111 -3.599 41.079 1.00 14.75 C ATOM 100 O2 DC A 6 15.914 -4.677 40.499 1.00 13.97 O ATOM 101 N3 DC A 6 16.490 -3.524 42.364 1.00 11.83 N ATOM 102 C4 DC A 6 16.701 -2.355 42.971 1.00 12.72 C ATOM 103 N4 DC A 6 17.072 -2.329 44.243 1.00 17.06 N ATOM 104 C5 DC A 6 16.538 -1.100 42.291 1.00 13.63 C ATOM 105 C6 DC A 6 16.161 -1.191 41.008 1.00 14.23 C ATOM 106 OP1 DC A 6 15.695 2.303 40.639 1.00 26.89 O ATOM 107 OP2 DC A 6 17.839 2.726 39.128 1.00 22.53 O ATOM 108 O5' DC A 6 16.122 1.001 38.525 1.00 18.12 O ATOM 109 C5' DC A 6 16.843 0.464 37.420 1.00 19.00 C ATOM 110 C4' DC A 6 16.350 -0.956 37.275 1.00 19.33 C ATOM 111 O4' DC A 6 16.726 -1.798 38.377 1.00 15.16 O ATOM 112 C3' DC A 6 14.788 -1.141 37.217 1.00 15.89 C ATOM 113 O3' DC A 6 14.518 -2.040 36.173 1.00 13.30 O ATOM 114 C2' DC A 6 14.357 -1.600 38.589 1.00 12.60 C ATOM 115 C1' DC A 6 15.551 -2.416 39.032 1.00 11.27 C ATOM 116 P DT A 7 14.419 -1.785 34.628 1.00 14.59 P ANISOU 116 P DT A 7 1689 1733 2121 -490 265 178 P ATOM 117 N1 DT A 7 13.242 3.009 33.297 1.00 10.21 N ATOM 118 C2 DT A 7 13.161 4.386 33.235 1.00 12.60 C ATOM 119 O2 DT A 7 12.146 5.015 32.957 1.00 13.96 O ATOM 120 N3 DT A 7 14.335 5.033 33.513 1.00 15.53 N ATOM 121 C4 DT A 7 15.554 4.472 33.840 1.00 20.11 C ATOM 122 O4 DT A 7 16.550 5.168 34.073 1.00 15.12 O ATOM 123 C5 DT A 7 15.562 3.027 33.885 1.00 17.54 C ATOM 124 C6 DT A 7 14.426 2.365 33.619 1.00 11.72 C ATOM 125 OP1 DT A 7 13.869 -3.036 33.996 1.00 14.59 O ATOM 126 OP2 DT A 7 15.710 -1.196 34.119 1.00 13.94 O ATOM 127 O5' DT A 7 13.319 -0.613 34.438 1.00 13.99 O ATOM 128 C5' DT A 7 11.999 -0.669 35.000 1.00 13.79 C ATOM 129 C4' DT A 7 11.201 0.302 34.168 1.00 10.18 C ATOM 130 O4' DT A 7 11.697 1.643 34.328 1.00 12.48 O ATOM 131 C3' DT A 7 11.227 0.072 32.626 1.00 14.23 C ATOM 132 O3' DT A 7 9.924 0.252 32.121 1.00 17.40 O ATOM 133 C2' DT A 7 12.225 1.054 32.065 1.00 17.40 C ATOM 134 C1' DT A 7 12.081 2.233 33.026 1.00 13.50 C ATOM 135 C7 DT A 7 16.832 2.315 34.231 1.00 18.42 C ATOM 136 P DC A 8 9.542 0.178 30.611 1.00 19.92 P ANISOU 136 P DC A 8 3002 1841 2725 -101 -209 316 P ATOM 137 N1 DC A 8 11.917 5.074 29.543 1.00 15.56 N ATOM 138 C2 DC A 8 12.637 6.256 29.749 1.00 14.07 C ATOM 139 O2 DC A 8 12.048 7.338 29.647 1.00 15.58 O ATOM 140 N3 DC A 8 13.948 6.177 30.045 1.00 11.86 N ATOM 141 C4 DC A 8 14.553 4.994 30.144 1.00 14.13 C ATOM 142 N4 DC A 8 15.849 4.938 30.440 1.00 15.03 N ATOM 143 C5 DC A 8 13.848 3.763 29.944 1.00 17.22 C ATOM 144 C6 DC A 8 12.542 3.860 29.648 1.00 14.11 C ATOM 145 OP1 DC A 8 8.120 -0.294 30.533 1.00 24.43 O ATOM 146 OP2 DC A 8 10.642 -0.471 29.808 1.00 22.66 O ATOM 147 O5' DC A 8 9.494 1.744 30.115 1.00 16.27 O ATOM 148 C5' DC A 8 8.539 2.560 30.766 1.00 15.35 C ATOM 149 C4' DC A 8 8.651 3.917 30.112 1.00 22.69 C ATOM 150 O4' DC A 8 9.919 4.525 30.420 1.00 17.77 O ATOM 151 C3' DC A 8 8.596 3.971 28.552 1.00 24.82 C ATOM 152 O3' DC A 8 7.581 4.898 28.199 1.00 18.04 O ATOM 153 C2' DC A 8 9.968 4.346 28.062 1.00 17.62 C ATOM 154 C1' DC A 8 10.530 5.141 29.230 1.00 15.04 C ATOM 155 P DT A 9 7.114 5.126 26.704 1.00 24.43 P ANISOU 155 P DT A 9 2531 2827 3925 130 -141 932 P ATOM 156 N1 DT A 9 12.804 7.107 26.106 1.00 15.67 N ATOM 157 C2 DT A 9 13.991 7.649 26.556 1.00 17.85 C ATOM 158 O2 DT A 9 14.169 8.839 26.718 1.00 21.52 O ATOM 159 N3 DT A 9 14.975 6.725 26.818 1.00 16.17 N ATOM 160 C4 DT A 9 14.920 5.353 26.681 1.00 26.12 C ATOM 161 O4 DT A 9 15.923 4.690 26.969 1.00 23.15 O ATOM 162 C5 DT A 9 13.659 4.856 26.211 1.00 19.92 C ATOM 163 C6 DT A 9 12.671 5.744 25.948 1.00 18.51 C ATOM 164 OP1 DT A 9 5.807 5.856 26.820 1.00 23.33 O ATOM 165 OP2 DT A 9 7.348 3.866 25.944 1.00 23.40 O ATOM 166 O5' DT A 9 8.154 6.243 26.137 1.00 20.11 O ATOM 167 C5' DT A 9 8.121 7.603 26.538 1.00 21.08 C ATOM 168 C4' DT A 9 9.415 8.221 26.085 1.00 19.02 C ATOM 169 O4' DT A 9 10.589 7.616 26.659 1.00 20.24 O ATOM 170 C3' DT A 9 9.727 8.110 24.548 1.00 28.29 C ATOM 171 O3' DT A 9 9.146 9.232 23.931 1.00 23.56 O ATOM 172 C2' DT A 9 11.224 8.019 24.387 1.00 22.38 C ATOM 173 C1' DT A 9 11.750 8.012 25.822 1.00 18.54 C ATOM 174 C7 DT A 9 13.471 3.378 26.022 1.00 17.76 C ATOM 175 P DC A 10 9.177 9.360 22.340 1.00 22.23 P ANISOU 175 P DC A 10 2259 3430 2758 801 -104 397 P ATOM 176 N1 DC A 10 14.924 9.365 23.218 1.00 14.08 N ATOM 177 C2 DC A 10 16.152 9.232 23.867 1.00 10.71 C ATOM 178 O2 DC A 10 16.766 10.227 24.278 1.00 23.25 O ATOM 179 N3 DC A 10 16.675 7.988 24.047 1.00 14.20 N ATOM 180 C4 DC A 10 15.979 6.944 23.589 1.00 13.78 C ATOM 181 N4 DC A 10 16.550 5.745 23.801 1.00 22.24 N ATOM 182 C5 DC A 10 14.721 7.047 22.920 1.00 16.83 C ATOM 183 C6 DC A 10 14.220 8.292 22.752 1.00 15.63 C ATOM 184 OP1 DC A 10 8.105 10.352 22.006 1.00 21.19 O ATOM 185 OP2 DC A 10 9.263 7.981 21.791 1.00 29.02 O ATOM 186 O5' DC A 10 10.595 10.114 22.078 1.00 24.25 O ATOM 187 C5' DC A 10 10.820 11.390 22.644 1.00 19.50 C ATOM 188 C4' DC A 10 12.295 11.615 22.611 1.00 31.03 C ATOM 189 O4' DC A 10 13.024 10.679 23.443 1.00 25.14 O ATOM 190 C3' DC A 10 13.037 11.396 21.251 1.00 17.59 C ATOM 191 O3' DC A 10 12.738 12.462 20.375 1.00 23.67 O ATOM 192 C2' DC A 10 14.496 11.264 21.642 1.00 16.04 C ATOM 193 C1' DC A 10 14.437 10.700 23.062 1.00 23.42 C TER 194 DC A 10 ATOM 195 N9 DG B 11 22.835 7.228 26.913 1.00 16.05 N ATOM 196 C8 DG B 11 22.855 5.853 26.945 1.00 24.20 C ATOM 197 N7 DG B 11 21.788 5.315 26.408 1.00 21.48 N ATOM 198 C5 DG B 11 21.014 6.395 25.994 1.00 14.89 C ATOM 199 C6 DG B 11 19.758 6.470 25.350 1.00 14.63 C ATOM 200 O6 DG B 11 18.989 5.580 24.970 1.00 18.51 O ATOM 201 N1 DG B 11 19.340 7.771 25.117 1.00 14.70 N ATOM 202 C2 DG B 11 20.065 8.892 25.469 1.00 13.82 C ATOM 203 N2 DG B 11 19.464 10.041 25.144 1.00 14.77 N ATOM 204 N3 DG B 11 21.232 8.847 26.068 1.00 15.22 N ATOM 205 C4 DG B 11 21.657 7.587 26.305 1.00 18.22 C ATOM 206 O5' DG B 11 26.711 6.768 25.150 1.00 26.29 O ATOM 207 C5' DG B 11 26.637 6.684 26.572 1.00 23.82 C ATOM 208 C4' DG B 11 26.149 8.039 26.976 1.00 21.39 C ATOM 209 O4' DG B 11 24.856 8.347 26.408 1.00 18.44 O ATOM 210 C3' DG B 11 25.888 8.269 28.502 1.00 17.05 C ATOM 211 O3' DG B 11 26.133 9.624 28.757 1.00 20.87 O ATOM 212 C2' DG B 11 24.476 7.797 28.710 1.00 21.04 C ATOM 213 C1' DG B 11 23.789 8.193 27.387 1.00 22.84 C ATOM 214 P DA B 12 25.943 10.283 30.179 1.00 24.70 P ANISOU 214 P DA B 12 3769 2559 3057 -767 341 -810 P ATOM 215 N9 DA B 12 20.659 9.254 29.698 1.00 20.09 N ATOM 216 C8 DA B 12 21.277 8.081 30.067 1.00 14.70 C ATOM 217 N7 DA B 12 20.631 7.009 29.669 1.00 18.47 N ATOM 218 C5 DA B 12 19.521 7.522 28.999 1.00 20.83 C ATOM 219 C6 DA B 12 18.435 6.905 28.338 1.00 12.11 C ATOM 220 N6 DA B 12 18.294 5.591 28.243 1.00 33.01 N ATOM 221 N1 DA B 12 17.519 7.732 27.789 1.00 19.88 N ATOM 222 C2 DA B 12 17.657 9.055 27.881 1.00 20.35 C ATOM 223 N3 DA B 12 18.627 9.762 28.475 1.00 18.87 N ATOM 224 C4 DA B 12 19.522 8.900 29.008 1.00 20.56 C ATOM 225 OP1 DA B 12 26.859 11.483 30.183 1.00 25.41 O ATOM 226 OP2 DA B 12 25.953 9.183 31.190 1.00 34.60 O ATOM 227 O5' DA B 12 24.444 10.872 30.128 1.00 22.63 O ATOM 228 C5' DA B 12 24.195 11.953 29.226 1.00 19.90 C ATOM 229 C4' DA B 12 22.728 12.179 29.454 1.00 34.02 C ATOM 230 O4' DA B 12 21.916 11.135 28.887 1.00 32.96 O ATOM 231 C3' DA B 12 22.308 12.223 30.962 1.00 27.41 C ATOM 232 O3' DA B 12 21.421 13.294 31.175 1.00 48.35 O ATOM 233 C2' DA B 12 21.715 10.859 31.245 1.00 35.13 C ATOM 234 C1' DA B 12 20.980 10.608 29.904 1.00 28.55 C ATOM 235 P DG B 13 21.313 14.488 32.224 1.00 42.39 P ANISOU 235 P DG B 13 5994 4365 5747 287 1396 -2066 P ATOM 236 N9 DG B 13 17.057 12.080 31.466 1.00 17.44 N ATOM 237 C8 DG B 13 18.194 11.529 31.986 1.00 15.13 C ATOM 238 N7 DG B 13 18.216 10.220 31.931 1.00 22.46 N ATOM 239 C5 DG B 13 17.013 9.883 31.333 1.00 19.72 C ATOM 240 C6 DG B 13 16.474 8.595 31.006 1.00 13.38 C ATOM 241 O6 DG B 13 17.028 7.494 31.218 1.00 17.58 O ATOM 242 N1 DG B 13 15.239 8.739 30.420 1.00 14.70 N ATOM 243 C2 DG B 13 14.586 9.908 30.164 1.00 17.13 C ATOM 244 N2 DG B 13 13.390 9.844 29.585 1.00 17.41 N ATOM 245 N3 DG B 13 15.076 11.112 30.462 1.00 22.90 N ATOM 246 C4 DG B 13 16.283 11.009 31.039 1.00 13.73 C ATOM 247 OP1 DG B 13 22.125 15.627 31.683 1.00 41.67 O ATOM 248 OP2 DG B 13 21.437 13.915 33.594 1.00 48.96 O ATOM 249 O5' DG B 13 19.744 14.933 32.020 1.00 33.44 O ATOM 250 C5' DG B 13 19.353 15.538 30.803 1.00 15.55 C ATOM 251 C4' DG B 13 17.857 15.422 30.696 1.00 28.02 C ATOM 252 O4' DG B 13 17.474 14.078 30.309 1.00 23.22 O ATOM 253 C3' DG B 13 17.021 15.689 31.992 1.00 28.13 C ATOM 254 O3' DG B 13 15.854 16.430 31.658 1.00 27.82 O ATOM 255 C2' DG B 13 16.754 14.329 32.578 1.00 28.18 C ATOM 256 C1' DG B 13 16.627 13.442 31.329 1.00 22.28 C ATOM 257 P DA B 14 14.961 16.987 32.864 1.00 33.00 P ANISOU 257 P DA B 14 3638 4332 4570 -992 3136 -1270 P ATOM 258 N9 DA B 14 13.498 11.894 33.739 1.00 16.33 N ATOM 259 C8 DA B 14 14.697 12.251 34.306 1.00 16.24 C ATOM 260 N7 DA B 14 15.512 11.252 34.511 1.00 15.82 N ATOM 261 C5 DA B 14 14.801 10.148 34.045 1.00 18.45 C ATOM 262 C6 DA B 14 15.115 8.786 33.983 1.00 15.10 C ATOM 263 N6 DA B 14 16.270 8.257 34.403 1.00 13.85 N ATOM 264 N1 DA B 14 14.177 7.952 33.458 1.00 15.24 N ATOM 265 C2 DA B 14 13.029 8.456 33.037 1.00 13.36 C ATOM 266 N3 DA B 14 12.621 9.730 33.049 1.00 15.16 N ATOM 267 C4 DA B 14 13.561 10.529 33.565 1.00 15.26 C ATOM 268 OP1 DA B 14 14.354 18.271 32.424 1.00 44.01 O ATOM 269 OP2 DA B 14 15.750 16.739 34.112 1.00 32.77 O ATOM 270 O5' DA B 14 13.757 15.879 32.901 1.00 17.52 O ATOM 271 C5' DA B 14 12.869 15.850 31.795 1.00 22.66 C ATOM 272 C4' DA B 14 11.976 14.670 32.074 1.00 27.33 C ATOM 273 O4' DA B 14 12.713 13.431 32.128 1.00 23.89 O ATOM 274 C3' DA B 14 11.204 14.686 33.444 1.00 20.99 C ATOM 275 O3' DA B 14 9.886 14.246 33.185 1.00 17.78 O ATOM 276 C2' DA B 14 12.026 13.829 34.368 1.00 15.53 C ATOM 277 C1' DA B 14 12.405 12.692 33.383 1.00 18.22 C ATOM 278 P DG B 15 8.617 15.092 33.575 1.00 18.25 P ANISOU 278 P DG B 15 2351 1731 2853 -123 377 114 P ATOM 279 N9 DG B 15 8.566 10.282 37.979 1.00 14.01 N ATOM 280 C8 DG B 15 8.403 9.636 36.778 1.00 11.97 C ATOM 281 N7 DG B 15 8.797 8.382 36.810 1.00 13.52 N ATOM 282 C5 DG B 15 9.251 8.197 38.102 1.00 10.64 C ATOM 283 C6 DG B 15 9.801 7.065 38.756 1.00 11.07 C ATOM 284 O6 DG B 15 9.997 5.942 38.263 1.00 15.17 O ATOM 285 N1 DG B 15 10.122 7.329 40.078 1.00 12.71 N ATOM 286 C2 DG B 15 9.948 8.531 40.727 1.00 18.24 C ATOM 287 N2 DG B 15 10.313 8.614 42.010 1.00 24.91 N ATOM 288 N3 DG B 15 9.437 9.604 40.142 1.00 14.74 N ATOM 289 C4 DG B 15 9.116 9.362 38.849 1.00 16.77 C ATOM 290 OP1 DG B 15 7.421 14.480 32.891 1.00 26.55 O ATOM 291 OP2 DG B 15 8.930 16.552 33.389 1.00 17.49 O ATOM 292 O5' DG B 15 8.450 14.853 35.174 1.00 15.99 O ATOM 293 C5' DG B 15 8.087 13.537 35.540 1.00 14.36 C ATOM 294 C4' DG B 15 7.810 13.557 37.014 1.00 14.49 C ATOM 295 O4' DG B 15 7.356 12.259 37.469 1.00 14.02 O ATOM 296 C3' DG B 15 8.997 13.841 37.999 1.00 10.20 C ATOM 297 O3' DG B 15 8.501 14.579 39.099 1.00 15.51 O ATOM 298 C2' DG B 15 9.552 12.507 38.371 1.00 10.62 C ATOM 299 C1' DG B 15 8.274 11.627 38.379 1.00 9.99 C ATOM 300 P DC B 16 9.352 15.685 39.838 1.00 16.98 P ANISOU 300 P DC B 16 2009 2581 1863 -516 477 -263 P ATOM 301 N1 DC B 16 9.182 20.256 37.081 1.00 14.94 N ATOM 302 C2 DC B 16 9.357 21.382 36.276 1.00 22.07 C ATOM 303 O2 DC B 16 8.420 21.823 35.582 1.00 22.60 O ATOM 304 N3 DC B 16 10.558 22.015 36.237 1.00 15.23 N ATOM 305 C4 DC B 16 11.565 21.549 36.976 1.00 12.96 C ATOM 306 N4 DC B 16 12.726 22.206 36.907 1.00 17.24 N ATOM 307 C5 DC B 16 11.405 20.397 37.812 1.00 17.85 C ATOM 308 C6 DC B 16 10.216 19.779 37.841 1.00 13.74 C ATOM 309 OP1 DC B 16 10.766 15.624 39.367 1.00 18.46 O ATOM 310 OP2 DC B 16 9.021 15.650 41.298 1.00 16.29 O ATOM 311 O5' DC B 16 8.705 17.060 39.248 1.00 15.82 O ATOM 312 C5' DC B 16 7.466 17.453 39.854 1.00 27.17 C ATOM 313 C4' DC B 16 6.807 18.284 38.786 1.00 14.65 C ATOM 314 O4' DC B 16 7.578 19.494 38.531 1.00 15.12 O ATOM 315 C3' DC B 16 6.667 17.675 37.370 1.00 15.65 C ATOM 316 O3' DC B 16 5.475 18.094 36.749 1.00 18.97 O ATOM 317 C2' DC B 16 7.882 18.146 36.594 1.00 16.74 C ATOM 318 C1' DC B 16 7.929 19.598 37.120 1.00 11.65 C ATOM 319 P DG B 17 4.063 17.405 36.893 1.00 20.84 P ANISOU 319 P DG B 17 1865 2184 3869 -37 -322 -19 P ATOM 320 N9 DG B 17 4.147 12.597 37.334 1.00 15.04 N ATOM 321 C8 DG B 17 4.190 13.524 38.340 1.00 15.15 C ATOM 322 N7 DG B 17 4.599 13.060 39.492 1.00 13.97 N ATOM 323 C5 DG B 17 4.841 11.722 39.208 1.00 16.35 C ATOM 324 C6 DG B 17 5.306 10.711 40.078 1.00 12.91 C ATOM 325 O6 DG B 17 5.594 10.822 41.284 1.00 16.96 O ATOM 326 N1 DG B 17 5.417 9.500 39.401 1.00 14.34 N ATOM 327 C2 DG B 17 5.119 9.304 38.078 1.00 16.18 C ATOM 328 N2 DG B 17 5.302 8.046 37.639 1.00 16.60 N ATOM 329 N3 DG B 17 4.679 10.239 37.242 1.00 16.29 N ATOM 330 C4 DG B 17 4.570 11.423 37.891 1.00 18.59 C ATOM 331 OP1 DG B 17 3.127 18.145 36.007 1.00 19.61 O ATOM 332 OP2 DG B 17 3.840 17.153 38.359 1.00 27.41 O ATOM 333 O5' DG B 17 4.309 15.924 36.235 1.00 23.54 O ATOM 334 C5' DG B 17 5.080 15.729 35.059 1.00 17.29 C ATOM 335 C4' DG B 17 4.681 14.406 34.483 1.00 14.72 C ATOM 336 O4' DG B 17 4.994 13.304 35.348 1.00 17.97 O ATOM 337 C3' DG B 17 3.143 14.183 34.227 1.00 11.27 C ATOM 338 O3' DG B 17 2.973 13.347 33.120 1.00 14.55 O ATOM 339 C2' DG B 17 2.616 13.631 35.545 1.00 16.91 C ATOM 340 C1' DG B 17 3.763 12.716 35.964 1.00 16.97 C ATOM 341 P DA B 18 1.647 13.147 32.270 1.00 22.20 P ANISOU 341 P DA B 18 2459 2321 3655 -774 177 539 P ATOM 342 N9 DA B 18 0.573 11.064 37.763 1.00 14.96 N ATOM 343 C8 DA B 18 0.577 12.364 38.192 1.00 14.83 C ATOM 344 N7 DA B 18 1.099 12.548 39.382 1.00 15.52 N ATOM 345 C5 DA B 18 1.467 11.263 39.764 1.00 13.11 C ATOM 346 C6 DA B 18 2.079 10.792 40.936 1.00 15.39 C ATOM 347 N6 DA B 18 2.423 11.616 41.944 1.00 13.76 N ATOM 348 N1 DA B 18 2.316 9.465 41.023 1.00 17.53 N ATOM 349 C2 DA B 18 1.954 8.695 39.992 1.00 15.26 C ATOM 350 N3 DA B 18 1.372 9.019 38.836 1.00 15.27 N ATOM 351 C4 DA B 18 1.148 10.346 38.781 1.00 17.45 C ATOM 352 OP1 DA B 18 2.035 12.390 31.042 1.00 22.59 O ATOM 353 OP2 DA B 18 0.851 14.409 32.336 1.00 18.76 O ATOM 354 O5' DA B 18 0.835 12.079 33.213 1.00 18.51 O ATOM 355 C5' DA B 18 1.257 10.722 33.166 1.00 12.41 C ATOM 356 C4' DA B 18 0.511 10.057 34.284 1.00 13.67 C ATOM 357 O4' DA B 18 1.153 10.295 35.549 1.00 16.74 O ATOM 358 C3' DA B 18 -0.974 10.531 34.525 1.00 17.52 C ATOM 359 O3' DA B 18 -1.816 9.409 34.590 1.00 15.33 O ATOM 360 C2' DA B 18 -0.922 11.362 35.798 1.00 15.78 C ATOM 361 C1' DA B 18 0.108 10.484 36.576 1.00 16.32 C ATOM 362 P DG B 19 -3.339 9.442 34.174 1.00 18.46 P ANISOU 362 P DG B 19 2678 2027 2310 -273 713 -194 P ATOM 363 N9 DG B 19 -2.022 10.097 40.193 1.00 13.29 N ATOM 364 C8 DG B 19 -2.184 11.463 40.167 1.00 12.72 C ATOM 365 N7 DG B 19 -1.763 12.030 41.264 1.00 13.90 N ATOM 366 C5 DG B 19 -1.297 10.975 42.054 1.00 16.16 C ATOM 367 C6 DG B 19 -0.728 10.951 43.334 1.00 12.62 C ATOM 368 O6 DG B 19 -0.489 11.898 44.115 1.00 13.14 O ATOM 369 N1 DG B 19 -0.391 9.669 43.775 1.00 14.45 N ATOM 370 C2 DG B 19 -0.591 8.524 43.032 1.00 13.57 C ATOM 371 N2 DG B 19 -0.204 7.381 43.622 1.00 14.48 N ATOM 372 N3 DG B 19 -1.122 8.539 41.834 1.00 14.05 N ATOM 373 C4 DG B 19 -1.457 9.767 41.389 1.00 11.72 C ATOM 374 OP1 DG B 19 -3.814 8.023 34.253 1.00 18.69 O ATOM 375 OP2 DG B 19 -3.499 10.330 32.972 1.00 16.58 O ATOM 376 O5' DG B 19 -4.041 10.238 35.395 1.00 14.25 O ATOM 377 C5' DG B 19 -4.762 9.583 36.432 1.00 17.45 C ATOM 378 C4' DG B 19 -3.753 8.903 37.295 1.00 10.99 C ATOM 379 O4' DG B 19 -2.921 9.819 38.022 1.00 14.32 O ATOM 380 C3' DG B 19 -4.348 8.018 38.450 1.00 12.25 C ATOM 381 O3' DG B 19 -4.524 6.702 37.926 1.00 16.89 O ATOM 382 C2' DG B 19 -3.415 8.106 39.621 1.00 12.88 C ATOM 383 C1' DG B 19 -2.358 9.129 39.188 1.00 13.75 C ATOM 384 P DG B 20 -5.583 5.717 38.575 1.00 15.24 P ANISOU 384 P DG B 20 1798 1757 2233 -66 737 23 P ATOM 385 N9 DG B 20 -4.131 6.701 43.720 1.00 9.69 N ATOM 386 C8 DG B 20 -4.592 7.759 42.960 1.00 12.36 C ATOM 387 N7 DG B 20 -4.371 8.913 43.535 1.00 12.16 N ATOM 388 C5 DG B 20 -3.736 8.585 44.724 1.00 12.50 C ATOM 389 C6 DG B 20 -3.251 9.406 45.772 1.00 11.83 C ATOM 390 O6 DG B 20 -3.295 10.640 45.842 1.00 14.11 O ATOM 391 N1 DG B 20 -2.672 8.703 46.812 1.00 13.87 N ATOM 392 C2 DG B 20 -2.568 7.326 46.840 1.00 12.25 C ATOM 393 N2 DG B 20 -1.973 6.841 47.936 1.00 12.50 N ATOM 394 N3 DG B 20 -3.014 6.536 45.873 1.00 14.88 N ATOM 395 C4 DG B 20 -3.582 7.217 44.851 1.00 10.06 C ATOM 396 OP1 DG B 20 -5.616 4.473 37.745 1.00 15.27 O ATOM 397 OP2 DG B 20 -6.813 6.508 38.868 1.00 14.52 O ATOM 398 O5' DG B 20 -4.917 5.329 40.006 1.00 19.25 O ATOM 399 C5' DG B 20 -3.812 4.430 40.025 1.00 20.79 C ATOM 400 C4' DG B 20 -3.727 3.981 41.458 1.00 11.98 C ATOM 401 O4' DG B 20 -3.263 5.042 42.302 1.00 17.14 O ATOM 402 C3' DG B 20 -5.069 3.546 42.129 1.00 18.41 C ATOM 403 O3' DG B 20 -4.874 2.402 42.912 1.00 19.78 O ATOM 404 C2' DG B 20 -5.535 4.739 42.952 1.00 18.18 C ATOM 405 C1' DG B 20 -4.192 5.299 43.425 1.00 16.10 C TER 406 DG B 20 HETATM 407 PT1 CPT 101 9.157 7.362 35.129 1.00 12.86 PT ANISOU 407 PT1 CPT 101 1636 1402 1850 -184 468 -54 PT HETATM 408 N1 CPT 101 9.603 6.346 33.453 1.00 15.92 N ANISOU 408 N1 CPT 101 1693 1826 2531 295 134 -761 N HETATM 409 N2 CPT 101 7.233 7.331 34.594 1.00 14.28 N ANISOU 409 N2 CPT 101 1629 2126 1670 -186 443 -318 N HETATM 410 O HOH 1 1.851 13.500 50.838 1.00 15.31 O HETATM 411 O HOH 2 -1.454 5.913 51.599 1.00 16.61 O HETATM 412 O HOH 3 8.529 4.228 36.885 1.00 27.00 O HETATM 413 O HOH 4 -0.463 6.209 40.250 1.00 20.37 O HETATM 414 O HOH 5 -1.728 15.304 48.029 1.00 19.58 O HETATM 415 O HOH 6 1.675 7.132 36.816 1.00 26.59 O HETATM 416 O HOH 7 15.557 0.099 31.395 1.00 21.24 O HETATM 417 O HOH 8 -1.231 4.015 48.035 1.00 17.50 O HETATM 418 O HOH 9 5.798 5.330 35.946 1.00 24.11 O HETATM 419 O HOH 10 9.375 10.565 33.496 1.00 23.67 O HETATM 420 O HOH 11 13.515 1.175 41.780 1.00 22.45 O HETATM 421 O HOH 12 5.993 10.142 34.706 1.00 24.71 O HETATM 422 O HOH 13 10.655 18.161 34.869 1.00 23.61 O HETATM 423 O HOH 14 12.034 5.797 41.412 1.00 20.83 O HETATM 424 O HOH 15 1.710 13.931 48.157 1.00 21.86 O HETATM 425 O HOH 16 17.970 -1.860 33.426 1.00 26.31 O HETATM 426 O HOH 17 9.705 8.713 31.267 1.00 27.83 O HETATM 427 O HOH 18 -6.904 2.256 38.309 1.00 22.46 O HETATM 428 O HOH 19 11.672 16.202 36.643 1.00 19.64 O HETATM 429 O HOH 20 17.072 2.248 30.509 1.00 20.73 O HETATM 430 O HOH 21 11.562 -3.692 32.670 1.00 25.05 O HETATM 431 O HOH 22 0.682 4.434 45.979 1.00 23.88 O HETATM 432 O HOH 23 19.058 5.812 32.671 1.00 34.00 O HETATM 433 O HOH 24 14.832 3.390 22.813 1.00 26.29 O HETATM 434 O HOH 25 9.658 10.985 43.578 1.00 32.47 O HETATM 435 O HOH 26 10.791 23.891 34.235 1.00 29.87 O HETATM 436 O HOH 27 14.396 20.007 34.665 1.00 28.59 O HETATM 437 O HOH 28 -0.578 4.535 42.845 1.00 23.17 O HETATM 438 O HOH 29 5.069 10.151 49.820 1.00 25.30 O HETATM 439 O HOH 30 6.604 0.162 28.263 1.00 28.33 O HETATM 440 O HOH 31 13.524 11.350 26.651 1.00 30.44 O HETATM 441 O HOH 32 14.432 15.311 36.331 1.00 22.80 O HETATM 442 O HOH 33 11.905 1.136 28.059 1.00 23.00 O HETATM 443 O HOH 34 12.917 16.552 40.326 1.00 25.68 O HETATM 444 O HOH 35 12.797 13.526 40.165 1.00 28.49 O HETATM 445 O HOH 36 6.932 6.746 55.230 1.00 39.53 O HETATM 446 O HOH 37 8.215 9.631 45.584 1.00 30.62 O HETATM 447 O HOH 38 23.869 8.170 32.167 1.00 30.24 O HETATM 448 O HOH 39 17.916 12.006 27.637 1.00 36.72 O HETATM 449 O HOH 40 -6.839 1.601 44.304 1.00 42.96 O HETATM 450 O HOH 41 8.324 -0.987 47.875 1.00 51.26 O HETATM 451 O HOH 42 6.795 -0.055 32.873 1.00 29.57 O HETATM 452 O HOH 43 10.505 12.505 18.773 1.00 29.34 O HETATM 453 O HOH 44 14.948 22.100 33.893 1.00 26.55 O HETATM 454 O HOH 45 9.469 3.559 34.811 1.00 21.29 O HETATM 455 O HOH 46 -2.188 9.709 30.846 1.00 38.71 O HETATM 456 O HOH 47 -0.706 6.703 37.428 1.00 33.30 O HETATM 457 O HOH 48 7.083 8.314 49.959 1.00 25.37 O HETATM 458 O HOH 49 12.592 3.466 42.806 1.00 29.18 O HETATM 459 O HOH 50 12.303 19.771 33.706 1.00 36.76 O HETATM 460 O HOH 51 14.474 13.006 28.822 1.00 27.43 O HETATM 461 O HOH 52 20.193 3.966 28.271 1.00 40.33 O HETATM 462 O HOH 53 16.526 1.644 27.538 1.00 56.37 O HETATM 463 O HOH 54 17.760 11.138 35.796 1.00 35.60 O HETATM 464 O HOH 55 3.978 7.796 34.951 1.00 40.42 O HETATM 465 O HOH 56 10.669 1.633 25.595 1.00 27.31 O HETATM 466 O HOH 57 1.380 14.580 41.018 1.00 32.73 O HETATM 467 O HOH 58 4.186 12.747 52.361 1.00 27.65 O HETATM 468 O HOH 59 8.081 6.012 46.627 1.00 39.65 O HETATM 469 O HOH 60 -3.255 3.844 36.022 1.00 35.09 O HETATM 470 O HOH 61 8.522 -0.123 37.191 1.00 46.24 O HETATM 471 O HOH 62 6.045 15.044 30.687 1.00 33.71 O HETATM 472 O HOH 63 19.291 2.844 31.307 1.00 41.51 O HETATM 473 O HOH 64 1.834 2.646 49.425 1.00 22.74 O HETATM 474 O HOH 65 -1.194 14.536 33.897 1.00 30.93 O HETATM 475 O HOH 66 0.237 14.715 43.845 1.00 33.81 O HETATM 476 O HOH 67 7.298 12.128 32.249 1.00 37.15 O HETATM 477 O HOH 68 10.892 13.539 42.225 1.00 36.58 O HETATM 478 O HOH 69 6.495 6.087 32.160 1.00 48.50 O HETATM 479 O HOH 70 -4.366 0.722 39.127 1.00 30.28 O HETATM 480 O HOH 71 6.550 1.993 34.029 1.00 37.99 O HETATM 481 O HOH 72 13.229 -5.625 34.960 1.00 22.16 O HETATM 482 O HOH 73 17.698 -0.070 45.221 1.00 33.44 O HETATM 483 O HOH 74 1.696 1.037 47.123 1.00 32.73 O HETATM 484 O HOH 75 4.891 11.908 45.489 1.00 30.06 O HETATM 485 O HOH 76 20.298 1.422 39.446 1.00 38.37 O HETATM 486 O HOH 77 6.720 20.748 33.554 1.00 32.71 O HETATM 487 O HOH 78 6.832 2.025 37.512 1.00 36.33 O HETATM 488 O HOH 79 7.870 -2.985 30.771 1.00 24.21 O HETATM 489 O HOH 80 8.024 -1.972 34.706 1.00 44.94 O HETATM 490 O HOH 81 15.356 -4.325 32.044 1.00 21.69 O HETATM 491 O HOH 82 20.015 -0.238 41.633 1.00 21.29 O HETATM 492 O HOH 83 -0.413 3.723 50.489 1.00 20.11 O HETATM 493 O HOH 84 13.489 12.905 37.618 1.00 23.63 O HETATM 494 O HOH 85 17.050 7.246 37.533 1.00 36.11 O HETATM 495 O HOH 86 10.396 3.747 24.357 1.00 26.79 O HETATM 496 O HOH 87 20.685 12.520 26.043 1.00 40.32 O HETATM 497 O HOH 88 7.034 7.956 30.943 1.00 42.08 O HETATM 498 O HOH 89 17.167 12.809 24.375 1.00 43.88 O HETATM 499 O HOH 90 6.861 4.166 33.361 1.00 29.88 O HETATM 500 O HOH 91 3.709 -0.491 47.027 1.00 32.22 O HETATM 501 O HOH 92 -1.392 2.440 39.219 1.00 37.22 O CONECT 78 407 CONECT 281 407 CONECT 407 78 281 408 409 CONECT 408 407 CONECT 409 407 MASTER 0 0 0 0 0 0 0 6 499 2 5 2 END