HEADER DNA 23-APR-97 XXXX TITLE CRYSTAL STRUCTURE OF A DOUBLE-STRANDED DNA CONTAINING THE MAJOR ADDUCT TITLE 2 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, MODIFIED, DNA 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, S.J.LIPPARD JRNL TITL CRYSTAL STRUCTURE OF DOUBLE-STRANDED DNA CONTAINING THE JRNL TITL 2 MAJOR ADDUCT OF THE ANTICANCER DRUG CISPLATIN. JRNL REF NATURE V. 377 649 1995 JRNL REFN ASTM NATUAS UK ISSN 0028-0836 JRNL PMID 7566180 JRNL DOI 10.1038/377649A0 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 BOUND TO REMARK 1 TITL 2 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 CISPLATIN HETSYN CPT DIAMMINE(DICHLORO)PLATINUM FORMUL 1 BRU 2(C9 H12 BR N2 O8 P) FORMUL 5 CPT 2(CL2 H6 N2 PT) FORMUL 7 HOH *62(H2 O) LINK PT1 CPT A 49 N7 DG A 6 1555 1555 1.86 LINK PT1 CPT A 49 N7 DG A 7 1555 1555 1.93 LINK PT1 CPT C 50 N7 DG C 30 1555 1555 1.91 LINK PT1 CPT C 50 N7 DG C 31 1555 1555 1.90 LINK C8 DG A 6 PT1 CPT A 49 1555 1555 2.71 LINK C5 DG A 6 PT1 CPT A 49 1555 1555 2.92 LINK C8 DG A 7 PT1 CPT A 49 1555 1555 2.45 LINK C5 DG A 7 PT1 CPT A 49 1555 1555 3.26 LINK C8 DG C 30 PT1 CPT C 50 1555 1555 2.71 LINK C5 DG C 30 PT1 CPT C 50 1555 1555 2.99 LINK C8 DG C 31 PT1 CPT C 50 1555 1555 2.46 LINK C5 DG C 31 PT1 CPT C 50 1555 1555 3.19 LINK O3' DC A 2 P BRU A 3 1555 1555 1.62 LINK O3' BRU A 3 P DC A 4 1555 1555 1.56 LINK O3' DC C 26 P BRU C 27 1555 1555 1.61 LINK O3' BRU C 27 P DC C 28 1555 1555 1.56 SITE 1 AC1 3 DT A 5 DG A 6 DG A 7 SITE 1 AC2 3 DT C 29 DG C 30 DG C 31 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 MODEL 1 ATOM 1 O5' DC A 1 -3.706 18.883 20.614 1.00 30.05 O ATOM 2 C5' DC A 1 -4.273 20.101 20.036 1.00 26.98 C ATOM 3 C4' DC A 1 -3.718 21.329 20.673 1.00 24.71 C ATOM 4 O4' DC A 1 -3.969 21.214 22.061 1.00 24.25 O ATOM 5 C3' DC A 1 -2.222 21.404 20.571 1.00 24.39 C ATOM 6 O3' DC A 1 -1.809 21.980 19.313 1.00 24.43 O ATOM 7 C2' DC A 1 -1.997 22.365 21.714 1.00 24.09 C ATOM 8 C1' DC A 1 -3.012 21.971 22.774 1.00 23.82 C ATOM 9 N1 DC A 1 -2.399 21.150 23.834 1.00 23.45 N ATOM 10 C2 DC A 1 -1.694 21.804 24.784 1.00 24.17 C ATOM 11 O2 DC A 1 -1.555 23.011 24.735 1.00 24.40 O ATOM 12 N3 DC A 1 -1.102 21.122 25.776 1.00 25.03 N ATOM 13 C4 DC A 1 -1.195 19.799 25.831 1.00 25.09 C ATOM 14 N4 DC A 1 -0.579 19.170 26.830 1.00 25.46 N ATOM 15 C5 DC A 1 -1.928 19.074 24.839 1.00 24.00 C ATOM 16 C6 DC A 1 -2.509 19.802 23.868 1.00 23.44 C ATOM 17 P DC A 2 -0.299 21.876 18.739 1.00 24.26 P ATOM 18 OP1 DC A 2 -0.284 22.333 17.339 1.00 24.98 O ATOM 19 OP2 DC A 2 0.237 20.557 19.098 1.00 24.56 O ATOM 20 O5' DC A 2 0.432 22.919 19.636 1.00 23.65 O ATOM 21 C5' DC A 2 0.204 24.304 19.428 1.00 24.07 C ATOM 22 C4' DC A 2 0.887 25.181 20.515 1.00 23.95 C ATOM 23 O4' DC A 2 0.490 24.761 21.813 1.00 23.39 O ATOM 24 C3' DC A 2 2.376 25.022 20.535 1.00 24.40 C ATOM 25 O3' DC A 2 2.984 25.864 19.574 1.00 26.07 O ATOM 26 C2' DC A 2 2.665 25.545 21.882 1.00 23.37 C ATOM 27 C1' DC A 2 1.563 24.998 22.712 1.00 22.86 C ATOM 28 N1 DC A 2 1.890 23.722 23.398 1.00 21.61 N ATOM 29 C2 DC A 2 2.716 23.740 24.494 1.00 21.13 C ATOM 30 O2 DC A 2 3.220 24.773 24.890 1.00 21.00 O ATOM 31 N3 DC A 2 2.969 22.600 25.178 1.00 20.84 N ATOM 32 C4 DC A 2 2.414 21.466 24.775 1.00 19.78 C ATOM 33 N4 DC A 2 2.660 20.354 25.434 1.00 19.18 N ATOM 34 C5 DC A 2 1.561 21.418 23.649 1.00 19.52 C ATOM 35 C6 DC A 2 1.336 22.568 22.997 1.00 20.68 C HETATM 36 N1 BRU A 3 6.979 24.706 23.757 1.00 22.91 N HETATM 37 C2 BRU A 3 7.601 24.084 24.787 1.00 23.60 C HETATM 38 N3 BRU A 3 7.276 22.761 24.944 1.00 23.65 N HETATM 39 C4 BRU A 3 6.409 22.036 24.158 1.00 24.29 C HETATM 40 C5 BRU A 3 5.846 22.779 23.109 1.00 24.02 C HETATM 41 C6 BRU A 3 6.123 24.049 22.938 1.00 22.93 C HETATM 42 O2 BRU A 3 8.441 24.624 25.496 1.00 24.51 O HETATM 43 O4 BRU A 3 6.146 20.854 24.349 1.00 25.43 O HETATM 44 BR BRU A 3 4.785 21.891 21.870 1.00 27.64 BR HETATM 45 C1' BRU A 3 7.250 26.121 23.581 1.00 23.24 C HETATM 46 C2' BRU A 3 8.507 26.390 22.773 1.00 23.57 C HETATM 47 C3' BRU A 3 8.017 26.507 21.345 1.00 23.49 C HETATM 48 C4' BRU A 3 6.788 27.319 21.594 1.00 23.92 C HETATM 49 O3' BRU A 3 8.895 27.245 20.558 1.00 23.67 O HETATM 50 O4' BRU A 3 6.216 26.645 22.741 1.00 23.97 O HETATM 51 C5' BRU A 3 5.843 27.266 20.415 1.00 23.68 C HETATM 52 O5' BRU A 3 5.435 25.943 20.188 1.00 24.24 O HETATM 53 P BRU A 3 4.472 25.672 18.955 1.00 26.78 P HETATM 54 OP1 BRU A 3 4.661 26.721 17.912 1.00 27.87 O HETATM 55 OP2 BRU A 3 4.605 24.254 18.568 1.00 25.45 O ATOM 56 P DC A 4 10.033 26.475 19.818 1.00 24.15 P ATOM 57 OP1 DC A 4 10.720 27.526 19.090 1.00 25.90 O ATOM 58 OP2 DC A 4 9.511 25.323 19.046 1.00 23.30 O ATOM 59 O5' DC A 4 10.979 25.984 20.980 1.00 23.03 O ATOM 60 C5' DC A 4 11.892 26.791 21.735 1.00 23.20 C ATOM 61 C4' DC A 4 12.535 25.899 22.793 1.00 23.54 C ATOM 62 O4' DC A 4 11.493 25.203 23.538 1.00 24.31 O ATOM 63 C3' DC A 4 13.323 24.771 22.158 1.00 22.83 C ATOM 64 O3' DC A 4 14.602 25.253 21.792 1.00 21.14 O ATOM 65 C2' DC A 4 13.385 23.855 23.372 1.00 23.78 C ATOM 66 C1' DC A 4 12.011 23.954 24.037 1.00 23.38 C ATOM 67 N1 DC A 4 11.142 22.870 23.593 1.00 22.63 N ATOM 68 C2 DC A 4 11.258 21.670 24.194 1.00 22.94 C ATOM 69 O2 DC A 4 12.109 21.548 25.052 1.00 24.42 O ATOM 70 N3 DC A 4 10.483 20.623 23.846 1.00 21.65 N ATOM 71 C4 DC A 4 9.600 20.799 22.891 1.00 21.22 C ATOM 72 N4 DC A 4 8.842 19.777 22.547 1.00 20.54 N ATOM 73 C5 DC A 4 9.458 22.057 22.235 1.00 21.54 C ATOM 74 C6 DC A 4 10.252 23.060 22.625 1.00 22.07 C ATOM 75 P DT A 5 15.472 24.462 20.725 1.00 20.18 P ATOM 76 OP1 DT A 5 16.603 25.324 20.406 1.00 22.86 O ATOM 77 OP2 DT A 5 14.650 23.960 19.620 1.00 17.94 O ATOM 78 O5' DT A 5 16.015 23.221 21.488 1.00 18.53 O ATOM 79 C5' DT A 5 16.950 23.306 22.546 1.00 18.45 C ATOM 80 C4' DT A 5 17.072 21.964 23.274 1.00 18.64 C ATOM 81 O4' DT A 5 15.819 21.499 23.840 1.00 17.75 O ATOM 82 C3' DT A 5 17.430 20.918 22.258 1.00 18.26 C ATOM 83 O3' DT A 5 18.808 21.050 21.956 1.00 18.36 O ATOM 84 C2' DT A 5 17.108 19.784 23.165 1.00 17.33 C ATOM 85 C1' DT A 5 15.747 20.095 23.727 1.00 16.90 C ATOM 86 N1 DT A 5 14.569 19.697 22.862 1.00 16.24 N ATOM 87 C2 DT A 5 14.068 18.469 23.119 1.00 16.40 C ATOM 88 O2 DT A 5 14.597 17.730 23.942 1.00 17.26 O ATOM 89 N3 DT A 5 13.010 18.071 22.371 1.00 15.34 N ATOM 90 C4 DT A 5 12.409 18.775 21.412 1.00 16.24 C ATOM 91 O4 DT A 5 11.460 18.284 20.833 1.00 18.37 O ATOM 92 C5 DT A 5 12.970 20.045 21.172 1.00 14.91 C ATOM 93 C7 DT A 5 12.377 20.899 20.069 1.00 14.15 C ATOM 94 C6 DT A 5 14.002 20.467 21.897 1.00 15.16 C ATOM 95 P DG A 6 19.572 20.277 20.840 1.00 19.52 P ATOM 96 OP1 DG A 6 20.835 20.922 20.515 1.00 21.32 O ATOM 97 OP2 DG A 6 18.647 20.111 19.751 1.00 18.53 O ATOM 98 O5' DG A 6 19.858 18.861 21.460 1.00 19.64 O ATOM 99 C5' DG A 6 20.699 18.580 22.564 1.00 19.89 C ATOM 100 C4' DG A 6 20.619 17.141 22.933 1.00 20.52 C ATOM 101 O4' DG A 6 19.304 16.855 23.344 1.00 19.71 O ATOM 102 C3' DG A 6 20.867 16.259 21.738 1.00 21.24 C ATOM 103 O3' DG A 6 22.239 15.962 21.634 1.00 22.67 O ATOM 104 C2' DG A 6 20.136 15.040 22.221 1.00 20.17 C ATOM 105 C1' DG A 6 18.950 15.576 22.895 1.00 19.03 C ATOM 106 N9 DG A 6 17.815 15.688 21.966 1.00 18.56 N ATOM 107 C8 DG A 6 17.429 16.723 21.090 1.00 17.86 C ATOM 108 N7 DG A 6 16.318 16.518 20.466 1.00 17.70 N ATOM 109 C5 DG A 6 15.958 15.243 20.975 1.00 18.20 C ATOM 110 C6 DG A 6 14.841 14.436 20.700 1.00 18.10 C ATOM 111 O6 DG A 6 13.910 14.692 19.956 1.00 18.87 O ATOM 112 N1 DG A 6 14.809 13.233 21.359 1.00 17.45 N ATOM 113 C2 DG A 6 15.747 12.826 22.225 1.00 17.48 C ATOM 114 N2 DG A 6 15.570 11.624 22.705 1.00 17.49 N ATOM 115 N3 DG A 6 16.810 13.535 22.545 1.00 18.04 N ATOM 116 C4 DG A 6 16.857 14.731 21.873 1.00 18.38 C ATOM 117 P DG A 7 22.857 15.844 20.220 1.00 25.36 P ATOM 118 OP1 DG A 7 24.247 15.403 20.328 1.00 26.50 O ATOM 119 OP2 DG A 7 22.574 17.044 19.451 1.00 25.66 O ATOM 120 O5' DG A 7 22.004 14.758 19.462 1.00 25.17 O ATOM 121 C5' DG A 7 22.063 13.358 19.611 1.00 24.67 C ATOM 122 C4' DG A 7 20.846 12.563 19.016 1.00 24.63 C ATOM 123 O4' DG A 7 19.625 13.215 19.321 1.00 24.41 O ATOM 124 C3' DG A 7 20.779 12.465 17.529 1.00 24.78 C ATOM 125 O3' DG A 7 21.621 11.412 17.006 1.00 25.38 O ATOM 126 C2' DG A 7 19.319 12.014 17.436 1.00 24.52 C ATOM 127 C1' DG A 7 18.607 12.535 18.651 1.00 23.81 C ATOM 128 N9 DG A 7 17.493 13.468 18.297 1.00 23.40 N ATOM 129 C8 DG A 7 17.306 14.880 18.269 1.00 23.34 C ATOM 130 N7 DG A 7 16.113 15.300 17.856 1.00 23.65 N ATOM 131 C5 DG A 7 15.498 14.043 17.595 1.00 24.55 C ATOM 132 C6 DG A 7 14.178 13.718 17.109 1.00 25.86 C ATOM 133 O6 DG A 7 13.247 14.476 16.819 1.00 27.70 O ATOM 134 N1 DG A 7 13.938 12.345 16.983 1.00 25.01 N ATOM 135 C2 DG A 7 14.825 11.363 17.273 1.00 24.33 C ATOM 136 N2 DG A 7 14.389 10.133 17.126 1.00 23.45 N ATOM 137 N3 DG A 7 16.046 11.620 17.718 1.00 24.49 N ATOM 138 C4 DG A 7 16.322 12.962 17.858 1.00 24.02 C ATOM 139 P DT A 8 21.957 11.253 15.479 1.00 26.09 P ATOM 140 OP1 DT A 8 23.171 10.417 15.382 1.00 27.83 O ATOM 141 OP2 DT A 8 21.993 12.589 14.842 1.00 27.42 O ATOM 142 O5' DT A 8 20.819 10.519 14.685 1.00 25.90 O ATOM 143 C5' DT A 8 20.673 9.137 14.861 1.00 26.66 C ATOM 144 C4' DT A 8 19.266 8.650 14.472 1.00 27.62 C ATOM 145 O4' DT A 8 18.259 9.416 15.118 1.00 28.02 O ATOM 146 C3' DT A 8 18.963 8.883 13.052 1.00 28.74 C ATOM 147 O3' DT A 8 19.317 7.753 12.308 1.00 32.04 O ATOM 148 C2' DT A 8 17.508 8.888 13.029 1.00 27.65 C ATOM 149 C1' DT A 8 17.114 9.518 14.288 1.00 27.46 C ATOM 150 N1 DT A 8 16.839 10.936 14.153 1.00 28.11 N ATOM 151 C2 DT A 8 15.566 11.317 13.891 1.00 28.29 C ATOM 152 O2 DT A 8 14.671 10.516 13.695 1.00 28.04 O ATOM 153 N3 DT A 8 15.321 12.654 13.822 1.00 28.60 N ATOM 154 C4 DT A 8 16.245 13.618 13.994 1.00 30.02 C ATOM 155 O4 DT A 8 15.876 14.769 13.828 1.00 31.60 O ATOM 156 C5 DT A 8 17.572 13.152 14.268 1.00 29.91 C ATOM 157 C7 DT A 8 18.718 14.113 14.457 1.00 30.64 C ATOM 158 C6 DT A 8 17.820 11.854 14.336 1.00 29.18 C ATOM 159 P DC A 9 19.506 7.758 10.751 1.00 34.34 P ATOM 160 OP1 DC A 9 20.100 6.419 10.364 1.00 34.94 O ATOM 161 OP2 DC A 9 20.262 8.999 10.486 1.00 34.61 O ATOM 162 O5' DC A 9 18.009 7.925 10.084 1.00 34.64 O ATOM 163 C5' DC A 9 17.133 6.769 9.993 1.00 35.72 C ATOM 164 C4' DC A 9 15.724 7.175 9.594 1.00 36.66 C ATOM 165 O4' DC A 9 15.279 8.277 10.422 1.00 36.76 O ATOM 166 C3' DC A 9 15.730 7.718 8.206 1.00 37.44 C ATOM 167 O3' DC A 9 15.525 6.620 7.330 1.00 39.36 O ATOM 168 C2' DC A 9 14.503 8.628 8.294 1.00 37.00 C ATOM 169 C1' DC A 9 14.423 9.179 9.709 1.00 35.95 C ATOM 170 N1 DC A 9 14.945 10.573 9.823 1.00 33.64 N ATOM 171 C2 DC A 9 14.048 11.613 9.663 1.00 33.24 C ATOM 172 O2 DC A 9 12.898 11.378 9.333 1.00 33.96 O ATOM 173 N3 DC A 9 14.415 12.903 9.865 1.00 32.66 N ATOM 174 C4 DC A 9 15.676 13.130 10.224 1.00 32.55 C ATOM 175 N4 DC A 9 16.034 14.388 10.443 1.00 31.80 N ATOM 176 C5 DC A 9 16.643 12.070 10.391 1.00 32.29 C ATOM 177 C6 DC A 9 16.225 10.808 10.173 1.00 32.63 C ATOM 178 P DT A 10 15.711 6.880 5.738 1.00 40.88 P ATOM 179 OP1 DT A 10 15.456 5.594 5.062 1.00 41.48 O ATOM 180 OP2 DT A 10 17.057 7.504 5.576 1.00 40.65 O ATOM 181 O5' DT A 10 14.485 7.936 5.402 1.00 40.65 O ATOM 182 C5' DT A 10 13.152 7.379 5.508 1.00 41.22 C ATOM 183 C4' DT A 10 12.054 8.413 5.230 1.00 42.32 C ATOM 184 O4' DT A 10 12.207 9.628 6.048 1.00 41.26 O ATOM 185 C3' DT A 10 12.157 8.772 3.746 1.00 43.86 C ATOM 186 O3' DT A 10 10.845 8.784 3.154 1.00 47.14 O ATOM 187 C2' DT A 10 12.757 10.164 3.840 1.00 41.91 C ATOM 188 C1' DT A 10 12.371 10.761 5.197 1.00 39.22 C ATOM 189 N1 DT A 10 13.481 11.580 5.676 1.00 36.05 N ATOM 190 C2 DT A 10 13.231 12.870 5.998 1.00 35.02 C ATOM 191 O2 DT A 10 12.134 13.366 5.870 1.00 36.00 O ATOM 192 N3 DT A 10 14.232 13.664 6.435 1.00 33.50 N ATOM 193 C4 DT A 10 15.500 13.283 6.592 1.00 33.47 C ATOM 194 O4 DT A 10 16.305 14.107 7.028 1.00 32.81 O ATOM 195 C5 DT A 10 15.713 11.897 6.226 1.00 34.18 C ATOM 196 C7 DT A 10 17.108 11.324 6.313 1.00 34.47 C ATOM 197 C6 DT A 10 14.718 11.097 5.797 1.00 34.91 C ATOM 198 P DC A 11 10.765 8.941 1.505 1.00 49.33 P ATOM 199 OP1 DC A 11 9.460 8.285 1.128 1.00 49.56 O ATOM 200 OP2 DC A 11 12.085 8.543 0.869 1.00 49.23 O ATOM 201 O5' DC A 11 10.610 10.599 1.346 1.00 49.01 O ATOM 202 C5' DC A 11 9.356 11.198 1.771 1.00 48.32 C ATOM 203 C4' DC A 11 9.384 12.736 1.625 1.00 47.47 C ATOM 204 O4' DC A 11 10.360 13.387 2.482 1.00 46.78 O ATOM 205 C3' DC A 11 9.662 13.046 0.174 1.00 46.72 C ATOM 206 O3' DC A 11 8.700 14.029 -0.158 1.00 47.32 O ATOM 207 C2' DC A 11 11.009 13.586 0.304 1.00 46.11 C ATOM 208 C1' DC A 11 11.091 14.285 1.684 1.00 45.71 C ATOM 209 N1 DC A 11 12.471 14.315 2.249 1.00 44.95 N ATOM 210 C2 DC A 11 12.897 15.375 3.065 1.00 44.55 C ATOM 211 O2 DC A 11 12.179 16.323 3.366 1.00 44.75 O ATOM 212 N3 DC A 11 14.180 15.407 3.543 1.00 44.19 N ATOM 213 C4 DC A 11 15.022 14.408 3.228 1.00 44.47 C ATOM 214 N4 DC A 11 16.266 14.445 3.705 1.00 44.03 N ATOM 215 C5 DC A 11 14.616 13.297 2.395 1.00 44.93 C ATOM 216 C6 DC A 11 13.341 13.296 1.940 1.00 45.23 C ATOM 217 P DC A 12 8.616 14.552 -1.686 1.00 47.81 P ATOM 218 OP1 DC A 12 7.189 14.950 -1.972 1.00 48.17 O ATOM 219 OP2 DC A 12 9.313 13.523 -2.529 1.00 46.75 O ATOM 220 O5' DC A 12 9.504 15.937 -1.547 1.00 46.79 O ATOM 221 C5' DC A 12 8.846 17.029 -0.883 1.00 45.18 C ATOM 222 C4' DC A 12 9.665 18.291 -0.793 1.00 43.53 C ATOM 223 O4' DC A 12 10.858 17.963 -0.080 1.00 41.98 O ATOM 224 C3' DC A 12 10.037 18.872 -2.162 1.00 43.30 C ATOM 225 O3' DC A 12 9.942 20.345 -2.107 1.00 44.62 O ATOM 226 C2' DC A 12 11.475 18.393 -2.243 1.00 41.54 C ATOM 227 C1' DC A 12 11.960 18.505 -0.798 1.00 39.29 C ATOM 228 N1 DC A 12 13.137 17.676 -0.457 1.00 35.05 N ATOM 229 C2 DC A 12 14.174 18.271 0.265 1.00 33.60 C ATOM 230 O2 DC A 12 14.063 19.427 0.709 1.00 33.93 O ATOM 231 N3 DC A 12 15.294 17.519 0.516 1.00 31.36 N ATOM 232 C4 DC A 12 15.356 16.259 0.083 1.00 30.31 C ATOM 233 N4 DC A 12 16.449 15.569 0.341 1.00 29.02 N ATOM 234 C5 DC A 12 14.294 15.641 -0.642 1.00 31.23 C ATOM 235 C6 DC A 12 13.205 16.391 -0.889 1.00 32.73 C TER 236 DC A 12 ATOM 237 O5' DG B 13 23.394 20.657 6.081 1.00 49.25 O ATOM 238 C5' DG B 13 23.628 22.012 5.590 1.00 48.47 C ATOM 239 C4' DG B 13 22.365 22.832 5.272 1.00 47.42 C ATOM 240 O4' DG B 13 21.555 22.242 4.207 1.00 46.02 O ATOM 241 C3' DG B 13 21.470 22.848 6.509 1.00 47.43 C ATOM 242 O3' DG B 13 20.777 24.098 6.557 1.00 49.20 O ATOM 243 C2' DG B 13 20.484 21.730 6.184 1.00 45.66 C ATOM 244 C1' DG B 13 20.274 21.808 4.674 1.00 43.60 C ATOM 245 N9 DG B 13 20.044 20.483 4.085 1.00 39.76 N ATOM 246 C8 DG B 13 20.830 19.351 4.153 1.00 38.62 C ATOM 247 N7 DG B 13 20.324 18.309 3.521 1.00 37.35 N ATOM 248 C5 DG B 13 19.122 18.788 3.008 1.00 36.51 C ATOM 249 C6 DG B 13 18.126 18.141 2.230 1.00 36.34 C ATOM 250 O6 DG B 13 18.106 17.002 1.771 1.00 36.90 O ATOM 251 N1 DG B 13 17.094 18.963 1.929 1.00 35.50 N ATOM 252 C2 DG B 13 17.014 20.250 2.309 1.00 35.63 C ATOM 253 N2 DG B 13 15.917 20.862 1.901 1.00 35.78 N ATOM 254 N3 DG B 13 17.934 20.884 3.035 1.00 35.90 N ATOM 255 C4 DG B 13 18.958 20.099 3.352 1.00 37.00 C ATOM 256 P DG B 14 20.057 24.460 7.957 1.00 50.64 P ATOM 257 OP1 DG B 14 20.200 25.935 8.187 1.00 50.59 O ATOM 258 OP2 DG B 14 20.557 23.461 8.946 1.00 51.14 O ATOM 259 O5' DG B 14 18.552 24.080 7.535 1.00 49.46 O ATOM 260 C5' DG B 14 17.963 25.106 6.781 1.00 48.76 C ATOM 261 C4' DG B 14 16.592 24.676 6.410 1.00 48.31 C ATOM 262 O4' DG B 14 16.709 23.397 5.761 1.00 47.67 O ATOM 263 C3' DG B 14 15.698 24.440 7.617 1.00 48.66 C ATOM 264 O3' DG B 14 14.399 25.002 7.324 1.00 50.37 O ATOM 265 C2' DG B 14 15.656 22.912 7.680 1.00 47.30 C ATOM 266 C1' DG B 14 15.719 22.484 6.244 1.00 46.30 C ATOM 267 N9 DG B 14 16.238 21.097 6.107 1.00 44.24 N ATOM 268 C8 DG B 14 17.409 20.529 6.610 1.00 43.21 C ATOM 269 N7 DG B 14 17.541 19.245 6.331 1.00 42.64 N ATOM 270 C5 DG B 14 16.376 18.956 5.599 1.00 42.40 C ATOM 271 C6 DG B 14 15.942 17.742 5.024 1.00 42.21 C ATOM 272 O6 DG B 14 16.491 16.650 5.088 1.00 42.35 O ATOM 273 N1 DG B 14 14.735 17.857 4.384 1.00 42.19 N ATOM 274 C2 DG B 14 14.016 19.021 4.290 1.00 43.35 C ATOM 275 N2 DG B 14 12.873 18.953 3.608 1.00 44.27 N ATOM 276 N3 DG B 14 14.404 20.183 4.823 1.00 43.11 N ATOM 277 C4 DG B 14 15.592 20.073 5.464 1.00 43.01 C ATOM 278 P DA B 15 13.103 24.834 8.364 1.00 51.27 P ATOM 279 OP1 DA B 15 12.114 25.951 8.131 1.00 51.51 O ATOM 280 OP2 DA B 15 13.592 24.599 9.768 1.00 51.62 O ATOM 281 O5' DA B 15 12.515 23.420 7.752 1.00 49.82 O ATOM 282 C5' DA B 15 11.617 23.578 6.628 1.00 48.12 C ATOM 283 C4' DA B 15 10.465 22.566 6.710 1.00 46.08 C ATOM 284 O4' DA B 15 11.000 21.222 6.558 1.00 44.57 O ATOM 285 C3' DA B 15 9.779 22.636 8.078 1.00 44.91 C ATOM 286 O3' DA B 15 8.390 22.388 7.863 1.00 45.79 O ATOM 287 C2' DA B 15 10.483 21.528 8.820 1.00 42.81 C ATOM 288 C1' DA B 15 10.864 20.492 7.768 1.00 41.40 C ATOM 289 N9 DA B 15 12.194 19.896 7.948 1.00 37.54 N ATOM 290 C8 DA B 15 13.312 20.404 8.591 1.00 35.98 C ATOM 291 N7 DA B 15 14.317 19.554 8.666 1.00 34.48 N ATOM 292 C5 DA B 15 13.811 18.400 8.030 1.00 34.04 C ATOM 293 C6 DA B 15 14.372 17.117 7.756 1.00 33.32 C ATOM 294 N6 DA B 15 15.614 16.802 8.137 1.00 33.07 N ATOM 295 N1 DA B 15 13.634 16.187 7.106 1.00 32.76 N ATOM 296 C2 DA B 15 12.400 16.549 6.737 1.00 33.24 C ATOM 297 N3 DA B 15 11.755 17.710 6.921 1.00 34.29 N ATOM 298 C4 DA B 15 12.533 18.607 7.587 1.00 35.11 C ATOM 299 P DG B 16 7.432 22.402 9.175 1.00 46.79 P ATOM 300 OP1 DG B 16 6.057 22.783 8.726 1.00 47.69 O ATOM 301 OP2 DG B 16 8.128 23.062 10.328 1.00 46.59 O ATOM 302 O5' DG B 16 7.397 20.867 9.507 1.00 44.92 O ATOM 303 C5' DG B 16 6.699 20.042 8.584 1.00 43.07 C ATOM 304 C4' DG B 16 6.833 18.539 9.034 1.00 41.45 C ATOM 305 O4' DG B 16 8.255 18.127 9.007 1.00 40.11 O ATOM 306 C3' DG B 16 6.305 18.440 10.505 1.00 41.22 C ATOM 307 O3' DG B 16 5.651 17.237 10.697 1.00 42.72 O ATOM 308 C2' DG B 16 7.642 18.416 11.247 1.00 39.57 C ATOM 309 C1' DG B 16 8.548 17.630 10.313 1.00 38.18 C ATOM 310 N9 DG B 16 10.001 17.765 10.607 1.00 34.50 N ATOM 311 C8 DG B 16 10.742 18.752 11.234 1.00 33.20 C ATOM 312 N7 DG B 16 12.014 18.428 11.395 1.00 31.95 N ATOM 313 C5 DG B 16 12.103 17.139 10.827 1.00 31.71 C ATOM 314 C6 DG B 16 13.187 16.220 10.674 1.00 31.20 C ATOM 315 O6 DG B 16 14.368 16.290 10.977 1.00 32.06 O ATOM 316 N1 DG B 16 12.835 15.076 10.064 1.00 29.51 N ATOM 317 C2 DG B 16 11.610 14.802 9.636 1.00 29.02 C ATOM 318 N2 DG B 16 11.473 13.646 9.050 1.00 28.28 N ATOM 319 N3 DG B 16 10.583 15.606 9.749 1.00 29.97 N ATOM 320 C4 DG B 16 10.885 16.756 10.353 1.00 31.84 C ATOM 321 P DA B 17 4.730 17.035 12.044 1.00 44.71 P ATOM 322 OP1 DA B 17 3.353 17.346 11.646 1.00 44.42 O ATOM 323 OP2 DA B 17 5.454 17.711 13.092 1.00 45.12 O ATOM 324 O5' DA B 17 4.976 15.459 12.321 1.00 43.87 O ATOM 325 C5' DA B 17 4.242 14.420 11.613 1.00 41.35 C ATOM 326 C4' DA B 17 5.139 13.195 11.476 1.00 38.94 C ATOM 327 O4' DA B 17 6.367 13.550 10.902 1.00 37.99 O ATOM 328 C3' DA B 17 5.508 12.652 12.796 1.00 37.41 C ATOM 329 O3' DA B 17 4.417 11.809 13.243 1.00 37.17 O ATOM 330 C2' DA B 17 6.606 11.819 12.269 1.00 36.96 C ATOM 331 C1' DA B 17 7.367 12.695 11.375 1.00 35.89 C ATOM 332 N9 DA B 17 8.356 13.485 12.070 1.00 33.17 N ATOM 333 C8 DA B 17 8.228 14.720 12.539 1.00 32.94 C ATOM 334 N7 DA B 17 9.324 15.199 13.071 1.00 32.54 N ATOM 335 C5 DA B 17 10.253 14.192 12.932 1.00 31.86 C ATOM 336 C6 DA B 17 11.609 14.080 13.300 1.00 31.02 C ATOM 337 N6 DA B 17 12.316 15.017 13.864 1.00 30.81 N ATOM 338 N1 DA B 17 12.250 12.959 13.036 1.00 30.95 N ATOM 339 C2 DA B 17 11.532 12.005 12.435 1.00 31.09 C ATOM 340 N3 DA B 17 10.254 11.968 12.030 1.00 31.70 N ATOM 341 C4 DA B 17 9.657 13.135 12.320 1.00 32.36 C ATOM 342 P DC B 18 4.321 11.314 14.749 1.00 36.31 P ATOM 343 OP1 DC B 18 3.154 10.311 14.718 1.00 37.09 O ATOM 344 OP2 DC B 18 4.305 12.522 15.698 1.00 36.16 O ATOM 345 O5' DC B 18 5.740 10.528 15.027 1.00 33.42 O ATOM 346 C5' DC B 18 5.913 9.227 14.456 1.00 30.16 C ATOM 347 C4' DC B 18 7.324 8.754 14.772 1.00 27.19 C ATOM 348 O4' DC B 18 8.242 9.731 14.297 1.00 25.36 O ATOM 349 C3' DC B 18 7.617 8.759 16.258 1.00 26.42 C ATOM 350 O3' DC B 18 7.204 7.558 16.897 1.00 27.16 O ATOM 351 C2' DC B 18 9.082 8.825 16.230 1.00 24.78 C ATOM 352 C1' DC B 18 9.386 9.735 15.125 1.00 23.47 C ATOM 353 N1 DC B 18 9.632 11.102 15.577 1.00 21.73 N ATOM 354 C2 DC B 18 10.905 11.423 15.936 1.00 20.88 C ATOM 355 O2 DC B 18 11.785 10.578 15.968 1.00 21.04 O ATOM 356 N3 DC B 18 11.204 12.663 16.314 1.00 20.06 N ATOM 357 C4 DC B 18 10.255 13.557 16.345 1.00 21.48 C ATOM 358 N4 DC B 18 10.571 14.762 16.770 1.00 22.96 N ATOM 359 C5 DC B 18 8.924 13.263 15.983 1.00 21.69 C ATOM 360 C6 DC B 18 8.657 12.011 15.601 1.00 21.49 C ATOM 361 P DC B 19 7.023 7.636 18.498 1.00 28.69 P ATOM 362 OP1 DC B 19 6.262 6.439 18.895 1.00 29.72 O ATOM 363 OP2 DC B 19 6.584 9.005 18.906 1.00 28.16 O ATOM 364 O5' DC B 19 8.488 7.405 19.065 1.00 27.38 O ATOM 365 C5' DC B 19 9.184 6.158 19.039 1.00 25.19 C ATOM 366 C4' DC B 19 10.545 6.300 19.744 1.00 23.54 C ATOM 367 O4' DC B 19 11.399 7.286 19.148 1.00 22.77 O ATOM 368 C3' DC B 19 10.310 6.883 21.090 1.00 22.77 C ATOM 369 O3' DC B 19 9.947 5.863 21.980 1.00 23.87 O ATOM 370 C2' DC B 19 11.622 7.414 21.430 1.00 21.81 C ATOM 371 C1' DC B 19 12.169 7.948 20.170 1.00 21.49 C ATOM 372 N1 DC B 19 11.992 9.411 20.066 1.00 20.15 N ATOM 373 C2 DC B 19 12.922 10.259 20.570 1.00 19.50 C ATOM 374 O2 DC B 19 13.921 9.877 21.131 1.00 19.20 O ATOM 375 N3 DC B 19 12.783 11.577 20.437 1.00 19.45 N ATOM 376 C4 DC B 19 11.739 12.044 19.808 1.00 19.40 C ATOM 377 N4 DC B 19 11.612 13.338 19.657 1.00 19.26 N ATOM 378 C5 DC B 19 10.757 11.210 19.278 1.00 19.26 C ATOM 379 C6 DC B 19 10.933 9.898 19.437 1.00 19.50 C ATOM 380 P DA B 20 9.227 6.215 23.339 1.00 24.28 P ATOM 381 OP1 DA B 20 8.981 4.944 24.028 1.00 24.84 O ATOM 382 OP2 DA B 20 8.126 7.148 23.081 1.00 23.94 O ATOM 383 O5' DA B 20 10.300 6.963 24.157 1.00 23.32 O ATOM 384 C5' DA B 20 9.885 7.911 25.087 1.00 22.82 C ATOM 385 C4' DA B 20 11.076 8.709 25.583 1.00 22.84 C ATOM 386 O4' DA B 20 11.738 9.354 24.500 1.00 22.63 O ATOM 387 C3' DA B 20 10.660 9.842 26.445 1.00 23.33 C ATOM 388 O3' DA B 20 10.500 9.418 27.786 1.00 25.86 O ATOM 389 C2' DA B 20 11.932 10.661 26.355 1.00 22.20 C ATOM 390 C1' DA B 20 12.306 10.596 24.919 1.00 21.60 C ATOM 391 N9 DA B 20 11.696 11.617 24.072 1.00 19.95 N ATOM 392 C8 DA B 20 10.652 11.502 23.214 1.00 19.61 C ATOM 393 N7 DA B 20 10.350 12.576 22.553 1.00 19.63 N ATOM 394 C5 DA B 20 11.275 13.466 23.023 1.00 19.73 C ATOM 395 C6 DA B 20 11.487 14.785 22.727 1.00 19.36 C ATOM 396 N6 DA B 20 10.769 15.465 21.859 1.00 18.90 N ATOM 397 N1 DA B 20 12.473 15.389 23.358 1.00 19.73 N ATOM 398 C2 DA B 20 13.202 14.709 24.234 1.00 19.29 C ATOM 399 N3 DA B 20 13.109 13.454 24.618 1.00 19.45 N ATOM 400 C4 DA B 20 12.093 12.890 23.954 1.00 19.78 C ATOM 401 P DG B 21 9.634 10.269 28.803 1.00 26.67 P ATOM 402 OP1 DG B 21 9.440 9.531 30.068 1.00 27.63 O ATOM 403 OP2 DG B 21 8.427 10.587 28.014 1.00 26.92 O ATOM 404 O5' DG B 21 10.448 11.608 29.139 1.00 25.94 O ATOM 405 C5' DG B 21 11.594 11.585 29.987 1.00 26.17 C ATOM 406 C4' DG B 21 12.391 12.860 29.877 1.00 26.09 C ATOM 407 O4' DG B 21 12.684 13.155 28.498 1.00 25.80 O ATOM 408 C3' DG B 21 11.570 14.013 30.349 1.00 26.30 C ATOM 409 O3' DG B 21 11.673 14.159 31.749 1.00 27.04 O ATOM 410 C2' DG B 21 12.402 15.081 29.697 1.00 26.02 C ATOM 411 C1' DG B 21 12.683 14.576 28.299 1.00 24.67 C ATOM 412 N9 DG B 21 11.641 14.995 27.312 1.00 22.62 N ATOM 413 C8 DG B 21 10.610 14.295 26.779 1.00 21.89 C ATOM 414 N7 DG B 21 9.906 14.953 25.893 1.00 21.75 N ATOM 415 C5 DG B 21 10.523 16.179 25.849 1.00 22.15 C ATOM 416 C6 DG B 21 10.232 17.313 25.093 1.00 22.40 C ATOM 417 O6 DG B 21 9.345 17.455 24.278 1.00 23.54 O ATOM 418 N1 DG B 21 11.091 18.340 25.332 1.00 22.23 N ATOM 419 C2 DG B 21 12.125 18.266 26.207 1.00 22.18 C ATOM 420 N2 DG B 21 12.930 19.311 26.261 1.00 22.17 N ATOM 421 N3 DG B 21 12.405 17.205 26.935 1.00 21.91 N ATOM 422 C4 DG B 21 11.572 16.203 26.704 1.00 22.12 C ATOM 423 P DA B 22 10.653 14.980 32.641 1.00 27.11 P ATOM 424 OP1 DA B 22 11.047 14.736 34.053 1.00 27.22 O ATOM 425 OP2 DA B 22 9.305 14.633 32.147 1.00 26.70 O ATOM 426 O5' DA B 22 10.877 16.507 32.267 1.00 25.25 O ATOM 427 C5' DA B 22 11.990 17.185 32.795 1.00 24.35 C ATOM 428 C4' DA B 22 12.109 18.599 32.283 1.00 24.03 C ATOM 429 O4' DA B 22 12.194 18.522 30.881 1.00 23.79 O ATOM 430 C3' DA B 22 10.891 19.456 32.496 1.00 24.61 C ATOM 431 O3' DA B 22 10.874 20.048 33.787 1.00 26.35 O ATOM 432 C2' DA B 22 11.180 20.509 31.500 1.00 23.58 C ATOM 433 C1' DA B 22 11.697 19.735 30.340 1.00 23.12 C ATOM 434 N9 DA B 22 10.667 19.345 29.452 1.00 22.21 N ATOM 435 C8 DA B 22 10.068 18.170 29.374 1.00 21.99 C ATOM 436 N7 DA B 22 9.136 18.145 28.489 1.00 22.12 N ATOM 437 C5 DA B 22 9.120 19.383 27.948 1.00 22.04 C ATOM 438 C6 DA B 22 8.353 19.975 26.963 1.00 22.48 C ATOM 439 N6 DA B 22 7.391 19.362 26.309 1.00 22.86 N ATOM 440 N1 DA B 22 8.606 21.237 26.665 1.00 23.14 N ATOM 441 C2 DA B 22 9.570 21.832 27.337 1.00 24.01 C ATOM 442 N3 DA B 22 10.349 21.367 28.281 1.00 23.78 N ATOM 443 C4 DA B 22 10.065 20.116 28.541 1.00 22.56 C ATOM 444 P DG B 23 9.533 20.353 34.592 1.00 27.17 P ATOM 445 OP1 DG B 23 9.930 20.746 35.964 1.00 28.16 O ATOM 446 OP2 DG B 23 8.525 19.297 34.379 1.00 26.32 O ATOM 447 O5' DG B 23 9.084 21.591 33.681 1.00 26.11 O ATOM 448 C5' DG B 23 9.718 22.865 33.769 1.00 25.64 C ATOM 449 C4' DG B 23 9.108 23.848 32.775 1.00 25.06 C ATOM 450 O4' DG B 23 9.221 23.328 31.462 1.00 24.35 O ATOM 451 C3' DG B 23 7.589 23.934 32.924 1.00 25.80 C ATOM 452 O3' DG B 23 7.209 24.809 33.974 1.00 27.99 O ATOM 453 C2' DG B 23 7.278 24.557 31.631 1.00 24.27 C ATOM 454 C1' DG B 23 8.173 23.855 30.670 1.00 22.90 C ATOM 455 N9 DG B 23 7.413 22.817 30.054 1.00 20.57 N ATOM 456 C8 DG B 23 7.352 21.521 30.391 1.00 20.27 C ATOM 457 N7 DG B 23 6.502 20.862 29.650 1.00 20.69 N ATOM 458 C5 DG B 23 5.983 21.805 28.774 1.00 19.56 C ATOM 459 C6 DG B 23 5.029 21.699 27.743 1.00 18.79 C ATOM 460 O6 DG B 23 4.423 20.723 27.331 1.00 19.25 O ATOM 461 N1 DG B 23 4.815 22.880 27.132 1.00 18.09 N ATOM 462 C2 DG B 23 5.443 24.015 27.462 1.00 18.91 C ATOM 463 N2 DG B 23 5.156 25.057 26.727 1.00 19.38 N ATOM 464 N3 DG B 23 6.328 24.145 28.412 1.00 19.02 N ATOM 465 C4 DG B 23 6.550 22.999 29.028 1.00 19.52 C ATOM 466 P DG B 24 5.745 24.736 34.541 1.00 30.35 P ATOM 467 OP1 DG B 24 5.836 24.564 36.005 1.00 30.32 O ATOM 468 OP2 DG B 24 4.953 23.795 33.753 1.00 30.43 O ATOM 469 O5' DG B 24 5.290 26.224 34.136 1.00 30.30 O ATOM 470 C5' DG B 24 4.114 26.501 33.343 1.00 30.19 C ATOM 471 C4' DG B 24 4.461 26.995 31.952 1.00 30.27 C ATOM 472 O4' DG B 24 4.458 25.860 31.061 1.00 29.38 O ATOM 473 C3' DG B 24 3.459 27.935 31.375 1.00 30.91 C ATOM 474 O3' DG B 24 4.237 28.705 30.419 1.00 33.18 O ATOM 475 C2' DG B 24 2.478 26.926 30.763 1.00 29.05 C ATOM 476 C1' DG B 24 3.402 25.926 30.105 1.00 27.29 C ATOM 477 N9 DG B 24 2.905 24.564 29.930 1.00 23.59 N ATOM 478 C8 DG B 24 3.261 23.493 30.624 1.00 21.91 C ATOM 479 N7 DG B 24 2.702 22.414 30.195 1.00 21.89 N ATOM 480 C5 DG B 24 1.913 22.794 29.143 1.00 21.75 C ATOM 481 C6 DG B 24 1.062 22.050 28.292 1.00 21.78 C ATOM 482 O6 DG B 24 0.780 20.870 28.257 1.00 21.60 O ATOM 483 N1 DG B 24 0.456 22.804 27.365 1.00 22.05 N ATOM 484 C2 DG B 24 0.637 24.129 27.257 1.00 23.15 C ATOM 485 N2 DG B 24 0.016 24.686 26.255 1.00 23.30 N ATOM 486 N3 DG B 24 1.421 24.857 28.049 1.00 23.70 N ATOM 487 C4 DG B 24 2.038 24.121 28.974 1.00 22.59 C TER 488 DG B 24 HETATM 489 PT1 CPT A 49 16.218 17.035 18.683 1.00 23.76 PT HETATM 490 N1 CPT A 49 15.687 18.683 19.422 1.00 22.60 N HETATM 491 N2 CPT A 49 15.381 17.205 16.983 1.00 22.50 N HETATM 492 O HOH A 54 8.581 26.304 17.019 1.00 55.00 O HETATM 493 O HOH A 55 10.240 19.307 18.389 1.00 45.29 O HETATM 494 O HOH A 58 10.690 10.039 8.197 1.00 57.12 O HETATM 495 O HOH A 60 14.290 22.980 16.809 1.00 69.93 O HETATM 496 O HOH A 62 16.202 16.762 25.967 1.00 30.23 O HETATM 497 O HOH A 66 19.741 20.524 16.838 1.00 57.08 O HETATM 498 O HOH A 68 23.415 20.112 20.106 1.00 27.35 O HETATM 499 O HOH A 80 21.401 23.008 16.492 1.00 59.47 O HETATM 500 O HOH A 85 8.581 26.304 17.019 1.00 55.00 O HETATM 501 O HOH A 86 10.240 19.307 18.389 1.00 45.29 O HETATM 502 O HOH A 89 10.690 10.039 8.197 1.00 57.12 O HETATM 503 O HOH A 91 14.290 22.980 16.809 1.00 69.93 O HETATM 504 O HOH A 93 16.202 16.762 25.967 1.00 30.23 O HETATM 505 O HOH A 97 19.741 20.524 16.838 1.00 57.08 O HETATM 506 O HOH A 99 23.415 20.112 20.106 1.00 27.35 O HETATM 507 O HOH A 111 21.401 23.008 16.492 1.00 59.47 O HETATM 508 O HOH B 51 3.963 9.086 19.307 1.00 54.01 O HETATM 509 O HOH B 52 5.409 11.728 28.024 1.00 72.52 O HETATM 510 O HOH B 53 6.952 8.682 31.059 1.00 69.54 O HETATM 511 O HOH B 56 10.236 17.632 14.599 1.00 36.07 O HETATM 512 O HOH B 59 14.964 20.522 28.110 1.00 51.71 O HETATM 513 O HOH B 61 15.812 13.098 25.644 1.00 45.60 O HETATM 514 O HOH B 63 15.679 21.188 10.392 1.00 76.05 O HETATM 515 O HOH B 69 24.271 21.546 8.793 1.00 35.44 O HETATM 516 O HOH B 76 3.473 22.518 10.305 1.00 41.69 O HETATM 517 O HOH B 79 4.817 9.868 21.836 1.00 65.67 O HETATM 518 O HOH B 82 3.963 9.086 19.307 1.00 54.01 O HETATM 519 O HOH B 83 5.409 11.728 28.024 1.00 72.52 O HETATM 520 O HOH B 84 6.952 8.682 31.059 1.00 69.54 O HETATM 521 O HOH B 87 10.236 17.632 14.599 1.00 36.07 O HETATM 522 O HOH B 90 14.964 20.522 28.110 1.00 51.71 O HETATM 523 O HOH B 92 15.812 13.098 25.644 1.00 45.60 O HETATM 524 O HOH B 94 15.679 21.188 10.392 1.00 76.05 O HETATM 525 O HOH B 100 24.271 21.546 8.793 1.00 45.22 O HETATM 526 O HOH B 107 3.473 22.518 10.305 1.00 41.69 O HETATM 527 O HOH B 110 4.817 9.868 21.836 1.00 65.67 O ENDMDL MASTER 7 0 0 0 0 0 2 6 1040 4 0 4 END