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 C 25 27.313 46.505 25.429 1.00 30.02 O ATOM 2 C5' DC C 25 26.181 47.258 25.975 1.00 28.13 C ATOM 3 C4' DC C 25 24.850 47.016 25.294 1.00 25.72 C ATOM 4 O4' DC C 25 25.024 47.184 23.894 1.00 24.06 O ATOM 5 C3' DC C 25 24.394 45.614 25.445 1.00 25.86 C ATOM 6 O3' DC C 25 23.819 45.381 26.743 1.00 26.04 O ATOM 7 C2' DC C 25 23.354 45.699 24.324 1.00 25.01 C ATOM 8 C1' DC C 25 24.003 46.505 23.210 1.00 23.77 C ATOM 9 N1 DC C 25 24.649 45.684 22.174 1.00 23.28 N ATOM 10 C2 DC C 25 23.851 45.201 21.172 1.00 24.02 C ATOM 11 O2 DC C 25 22.647 45.405 21.205 1.00 25.08 O ATOM 12 N3 DC C 25 24.358 44.448 20.167 1.00 23.22 N ATOM 13 C4 DC C 25 25.656 44.178 20.161 1.00 22.94 C ATOM 14 N4 DC C 25 26.124 43.465 19.137 1.00 23.03 N ATOM 15 C5 DC C 25 26.525 44.667 21.203 1.00 22.17 C ATOM 16 C6 DC C 25 25.973 45.413 22.183 1.00 22.24 C ATOM 17 P DC C 26 23.360 43.895 27.248 1.00 26.32 P ATOM 18 OP1 DC C 26 22.850 44.071 28.635 1.00 26.80 O ATOM 19 OP2 DC C 26 24.457 42.919 26.999 1.00 25.50 O ATOM 20 O5' DC C 26 22.112 43.522 26.310 1.00 25.38 O ATOM 21 C5' DC C 26 20.820 44.107 26.555 1.00 25.32 C ATOM 22 C4' DC C 26 19.826 43.723 25.482 1.00 25.73 C ATOM 23 O4' DC C 26 20.384 43.965 24.188 1.00 25.40 O ATOM 24 C3' DC C 26 19.585 42.246 25.493 1.00 26.07 C ATOM 25 O3' DC C 26 18.641 41.938 26.505 1.00 26.41 O ATOM 26 C2' DC C 26 19.002 42.067 24.121 1.00 25.35 C ATOM 27 C1' DC C 26 19.870 42.965 23.295 1.00 24.83 C ATOM 28 N1 DC C 26 21.023 42.276 22.670 1.00 24.38 N ATOM 29 C2 DC C 26 20.811 41.391 21.657 1.00 24.75 C ATOM 30 O2 DC C 26 19.702 41.144 21.225 1.00 25.51 O ATOM 31 N3 DC C 26 21.864 40.806 21.063 1.00 24.20 N ATOM 32 C4 DC C 26 23.100 41.086 21.444 1.00 23.55 C ATOM 33 N4 DC C 26 24.116 40.514 20.819 1.00 24.00 N ATOM 34 C5 DC C 26 23.352 41.996 22.484 1.00 23.28 C ATOM 35 C6 DC C 26 22.275 42.555 23.057 1.00 24.16 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 C1' BRU C 27 17.285 37.662 22.578 1.00 25.92 C HETATM 46 C2' BRU C 27 16.687 36.619 23.480 1.00 26.39 C HETATM 47 C3' BRU C 27 16.629 37.211 24.867 1.00 26.09 C HETATM 48 C4' BRU C 27 16.206 38.583 24.476 1.00 26.24 C HETATM 49 O3' BRU C 27 15.617 36.559 25.616 1.00 25.96 O HETATM 50 O4' BRU C 27 17.044 38.859 23.325 1.00 26.58 O HETATM 51 C5' BRU C 27 16.464 39.526 25.620 1.00 25.53 C HETATM 52 O5' BRU C 27 17.835 39.572 25.874 1.00 24.68 O HETATM 53 P BRU C 27 18.432 40.442 27.068 1.00 26.73 P 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 OP1 DC C 28 14.758 34.979 27.200 1.00 25.60 O ATOM 58 OP2 DC C 28 17.193 35.720 27.340 1.00 22.87 O ATOM 59 O5' DC C 28 16.422 34.300 25.431 1.00 21.92 O ATOM 60 C5' DC C 28 15.454 33.590 24.699 1.00 21.56 C ATOM 61 C4' DC C 28 16.058 32.660 23.648 1.00 21.84 C ATOM 62 O4' DC C 28 16.950 33.399 22.819 1.00 22.33 O ATOM 63 C3' DC C 28 16.956 31.602 24.225 1.00 22.56 C ATOM 64 O3' DC C 28 16.206 30.433 24.651 1.00 21.83 O ATOM 65 C2' DC C 28 17.778 31.293 22.964 1.00 22.86 C ATOM 66 C1' DC C 28 18.020 32.597 22.261 1.00 22.14 C ATOM 67 N1 DC C 28 19.396 33.099 22.624 1.00 21.57 N ATOM 68 C2 DC C 28 20.467 32.638 21.940 1.00 21.25 C ATOM 69 O2 DC C 28 20.280 31.892 21.014 1.00 21.89 O ATOM 70 N3 DC C 28 21.714 33.036 22.226 1.00 20.21 N ATOM 71 C4 DC C 28 21.891 33.908 23.193 1.00 19.74 C ATOM 72 N4 DC C 28 23.108 34.324 23.438 1.00 20.03 N ATOM 73 C5 DC C 28 20.820 34.430 23.943 1.00 19.95 C ATOM 74 C6 DC C 28 19.594 33.992 23.617 1.00 20.97 C ATOM 75 P DT C 29 16.744 29.342 25.652 1.00 20.63 P ATOM 76 OP1 DT C 29 15.603 28.488 25.997 1.00 22.17 O ATOM 77 OP2 DT C 29 17.435 30.019 26.723 1.00 19.29 O ATOM 78 O5' DT C 29 17.790 28.568 24.823 1.00 19.25 O ATOM 79 C5' DT C 29 17.358 27.708 23.791 1.00 19.23 C ATOM 80 C4' DT C 29 18.502 27.110 23.031 1.00 19.38 C ATOM 81 O4' DT C 29 19.273 28.163 22.418 1.00 19.79 O ATOM 82 C3' DT C 29 19.470 26.512 23.995 1.00 19.84 C ATOM 83 O3' DT C 29 19.094 25.210 24.325 1.00 21.08 O ATOM 84 C2' DT C 29 20.609 26.495 23.099 1.00 19.21 C ATOM 85 C1' DT C 29 20.630 27.813 22.424 1.00 18.65 C ATOM 86 N1 DT C 29 21.435 28.818 23.158 1.00 17.82 N ATOM 87 C2 DT C 29 22.737 28.931 22.808 1.00 17.79 C ATOM 88 O2 DT C 29 23.278 28.250 21.948 1.00 19.10 O ATOM 89 N3 DT C 29 23.452 29.837 23.501 1.00 16.60 N ATOM 90 C4 DT C 29 23.018 30.630 24.486 1.00 16.58 C ATOM 91 O4 DT C 29 23.800 31.382 25.025 1.00 17.66 O ATOM 92 C5 DT C 29 21.670 30.469 24.808 1.00 16.10 C ATOM 93 C7 DT C 29 21.108 31.268 25.938 1.00 15.59 C ATOM 94 C6 DT C 29 20.930 29.593 24.147 1.00 17.21 C ATOM 95 P DG C 30 19.636 24.361 25.514 1.00 21.80 P ATOM 96 OP1 DG C 30 18.683 23.268 25.657 1.00 24.59 O ATOM 97 OP2 DG C 30 19.866 25.187 26.686 1.00 20.80 O ATOM 98 O5' DG C 30 20.984 23.772 25.023 1.00 21.46 O ATOM 99 C5' DG C 30 21.048 22.814 23.972 1.00 21.20 C ATOM 100 C4' DG C 30 22.493 22.580 23.452 1.00 20.62 C ATOM 101 O4' DG C 30 23.089 23.780 22.919 1.00 18.72 O ATOM 102 C3' DG C 30 23.376 22.093 24.574 1.00 20.56 C ATOM 103 O3' DG C 30 23.314 20.672 24.653 1.00 21.91 O ATOM 104 C2' DG C 30 24.683 22.523 23.948 1.00 18.67 C ATOM 105 C1' DG C 30 24.438 23.846 23.310 1.00 16.76 C ATOM 106 N9 DG C 30 24.638 24.959 24.259 1.00 14.04 N ATOM 107 C8 DG C 30 23.791 25.612 25.157 1.00 12.16 C ATOM 108 N7 DG C 30 24.345 26.595 25.769 1.00 12.33 N ATOM 109 C5 DG C 30 25.630 26.582 25.241 1.00 12.08 C ATOM 110 C6 DG C 30 26.730 27.398 25.488 1.00 12.26 C ATOM 111 O6 DG C 30 26.797 28.364 26.216 1.00 13.16 O ATOM 112 N1 DG C 30 27.857 27.075 24.795 1.00 11.09 N ATOM 113 C2 DG C 30 27.942 26.075 23.935 1.00 11.32 C ATOM 114 N2 DG C 30 29.152 25.795 23.533 1.00 11.57 N ATOM 115 N3 DG C 30 26.929 25.306 23.647 1.00 11.52 N ATOM 116 C4 DG C 30 25.814 25.600 24.337 1.00 12.38 C ATOM 117 P DG C 31 23.295 19.997 26.074 1.00 24.64 P ATOM 118 OP1 DG C 31 23.445 18.553 25.901 1.00 26.43 O ATOM 119 OP2 DG C 31 22.152 20.478 26.848 1.00 25.67 O ATOM 120 O5' DG C 31 24.524 20.546 26.893 1.00 23.96 O ATOM 121 C5' DG C 31 25.873 20.132 26.746 1.00 22.61 C ATOM 122 C4' DG C 31 26.951 21.154 27.264 1.00 21.70 C ATOM 123 O4' DG C 31 26.585 22.484 26.965 1.00 21.17 O ATOM 124 C3' DG C 31 27.055 21.294 28.707 1.00 21.70 C ATOM 125 O3' DG C 31 27.776 20.208 29.245 1.00 23.79 O ATOM 126 C2' DG C 31 27.901 22.525 28.735 1.00 20.69 C ATOM 127 C1' DG C 31 27.508 23.334 27.575 1.00 20.19 C ATOM 128 N9 DG C 31 26.866 24.627 27.983 1.00 19.66 N ATOM 129 C8 DG C 31 25.521 25.119 28.044 1.00 19.43 C ATOM 130 N7 DG C 31 25.424 26.377 28.474 1.00 19.60 N ATOM 131 C5 DG C 31 26.788 26.700 28.694 1.00 19.53 C ATOM 132 C6 DG C 31 27.422 27.881 29.148 1.00 19.65 C ATOM 133 O6 DG C 31 26.945 28.972 29.400 1.00 21.01 O ATOM 134 N1 DG C 31 28.787 27.799 29.229 1.00 18.98 N ATOM 135 C2 DG C 31 29.533 26.732 28.930 1.00 18.32 C ATOM 136 N2 DG C 31 30.836 26.877 29.051 1.00 17.82 N ATOM 137 N3 DG C 31 29.004 25.621 28.501 1.00 18.50 N ATOM 138 C4 DG C 31 27.641 25.660 28.405 1.00 19.05 C ATOM 139 P DT C 32 27.731 19.786 30.776 1.00 25.21 P ATOM 140 OP1 DT C 32 28.159 18.388 30.834 1.00 26.41 O ATOM 141 OP2 DT C 32 26.447 20.180 31.356 1.00 25.19 O ATOM 142 O5' DT C 32 28.777 20.630 31.559 1.00 25.36 O ATOM 143 C5' DT C 32 30.165 20.377 31.410 1.00 25.81 C ATOM 144 C4' DT C 32 31.044 21.626 31.774 1.00 27.09 C ATOM 145 O4' DT C 32 30.643 22.829 31.053 1.00 27.95 O ATOM 146 C3' DT C 32 30.931 21.931 33.239 1.00 28.24 C ATOM 147 O3' DT C 32 31.994 21.301 33.961 1.00 30.65 O ATOM 148 C2' DT C 32 31.246 23.392 33.168 1.00 28.05 C ATOM 149 C1' DT C 32 30.764 23.954 31.899 1.00 28.01 C ATOM 150 N1 DT C 32 29.454 24.588 32.065 1.00 28.81 N ATOM 151 C2 DT C 32 29.428 25.934 32.331 1.00 29.91 C ATOM 152 O2 DT C 32 30.420 26.610 32.581 1.00 30.77 O ATOM 153 N3 DT C 32 28.190 26.528 32.376 1.00 29.71 N ATOM 154 C4 DT C 32 26.999 25.904 32.191 1.00 30.05 C ATOM 155 O4 DT C 32 25.993 26.589 32.302 1.00 31.51 O ATOM 156 C5 DT C 32 27.081 24.500 31.932 1.00 29.47 C ATOM 157 C7 DT C 32 25.832 23.681 31.713 1.00 29.11 C ATOM 158 C6 DT C 32 28.279 23.897 31.879 1.00 29.51 C ATOM 159 P DC C 33 31.980 21.104 35.550 1.00 31.82 P ATOM 160 OP1 DC C 33 33.154 20.284 35.906 1.00 33.02 O ATOM 161 OP2 DC C 33 30.629 20.642 35.905 1.00 31.88 O ATOM 162 O5' DC C 33 32.153 22.572 36.115 1.00 30.71 O ATOM 163 C5' DC C 33 33.414 23.185 36.071 1.00 30.82 C ATOM 164 C4' DC C 33 33.242 24.602 36.568 1.00 31.74 C ATOM 165 O4' DC C 33 32.209 25.228 35.819 1.00 31.53 O ATOM 166 C3' DC C 33 32.713 24.672 37.962 1.00 32.79 C ATOM 167 O3' DC C 33 33.820 24.649 38.846 1.00 35.57 O ATOM 168 C2' DC C 33 32.093 26.033 37.934 1.00 32.00 C ATOM 169 C1' DC C 33 31.630 26.309 36.546 1.00 30.78 C ATOM 170 N1 DC C 33 30.170 26.234 36.377 1.00 28.83 N ATOM 171 C2 DC C 33 29.444 27.402 36.424 1.00 28.13 C ATOM 172 O2 DC C 33 30.000 28.458 36.695 1.00 27.63 O ATOM 173 N3 DC C 33 28.114 27.383 36.181 1.00 27.76 N ATOM 174 C4 DC C 33 27.545 26.213 35.896 1.00 27.98 C ATOM 175 N4 DC C 33 26.242 26.177 35.587 1.00 28.91 N ATOM 176 C5 DC C 33 28.290 24.986 35.857 1.00 27.10 C ATOM 177 C6 DC C 33 29.601 25.049 36.106 1.00 27.09 C ATOM 178 P DT C 34 33.657 24.590 40.447 1.00 38.24 P ATOM 179 OP1 DT C 34 35.000 24.472 41.043 1.00 38.58 O ATOM 180 OP2 DT C 34 32.601 23.593 40.778 1.00 38.47 O ATOM 181 O5' DT C 34 33.112 26.063 40.851 1.00 38.09 O ATOM 182 C5' DT C 34 33.946 27.224 40.726 1.00 38.67 C ATOM 183 C4' DT C 34 33.262 28.557 41.226 1.00 39.64 C ATOM 184 O4' DT C 34 31.978 28.862 40.566 1.00 38.99 O ATOM 185 C3' DT C 34 33.003 28.419 42.745 1.00 41.28 C ATOM 186 O3' DT C 34 33.209 29.695 43.343 1.00 44.00 O ATOM 187 C2' DT C 34 31.530 28.025 42.779 1.00 39.86 C ATOM 188 C1' DT C 34 30.900 28.699 41.515 1.00 38.18 C ATOM 189 N1 DT C 34 29.826 27.862 40.901 1.00 36.07 N ATOM 190 C2 DT C 34 28.740 28.477 40.389 1.00 34.87 C ATOM 191 O2 DT C 34 28.562 29.666 40.460 1.00 34.89 O ATOM 192 N3 DT C 34 27.801 27.734 39.806 1.00 34.37 N ATOM 193 C4 DT C 34 27.847 26.407 39.688 1.00 35.53 C ATOM 194 O4 DT C 34 26.933 25.814 39.154 1.00 36.20 O ATOM 195 C5 DT C 34 28.985 25.783 40.234 1.00 36.33 C ATOM 196 C7 DT C 34 29.091 24.253 40.152 1.00 36.73 C ATOM 197 C6 DT C 34 29.929 26.526 40.816 1.00 36.31 C ATOM 198 P DC C 35 32.941 29.938 44.943 1.00 46.15 P ATOM 199 OP1 DC C 35 33.852 31.069 45.300 1.00 46.45 O ATOM 200 OP2 DC C 35 32.845 28.653 45.721 1.00 45.78 O ATOM 201 O5' DC C 35 31.441 30.513 44.849 1.00 46.04 O ATOM 202 C5' DC C 35 31.311 31.811 44.271 1.00 45.86 C ATOM 203 C4' DC C 35 29.885 32.388 44.414 1.00 45.40 C ATOM 204 O4' DC C 35 28.889 31.703 43.581 1.00 44.66 O ATOM 205 C3' DC C 35 29.475 32.287 45.913 1.00 45.03 C ATOM 206 O3' DC C 35 28.701 33.438 46.203 1.00 45.45 O ATOM 207 C2' DC C 35 28.587 31.069 45.868 1.00 44.50 C ATOM 208 C1' DC C 35 27.913 31.135 44.462 1.00 43.23 C ATOM 209 N1 DC C 35 27.513 29.790 43.948 1.00 41.24 N ATOM 210 C2 DC C 35 26.288 29.698 43.286 1.00 40.77 C ATOM 211 O2 DC C 35 25.582 30.690 43.100 1.00 40.92 O ATOM 212 N3 DC C 35 25.828 28.497 42.849 1.00 39.87 N ATOM 213 C4 DC C 35 26.570 27.417 43.070 1.00 39.76 C ATOM 214 N4 DC C 35 26.052 26.260 42.680 1.00 39.38 N ATOM 215 C5 DC C 35 27.846 27.473 43.742 1.00 39.94 C ATOM 216 C6 DC C 35 28.274 28.686 44.162 1.00 40.32 C ATOM 217 P DC C 36 28.307 33.733 47.734 1.00 45.49 P ATOM 218 OP1 DC C 36 28.376 35.236 47.818 1.00 46.00 O ATOM 219 OP2 DC C 36 29.178 32.850 48.591 1.00 44.23 O ATOM 220 O5' DC C 36 26.712 33.221 47.655 1.00 43.99 O ATOM 221 C5' DC C 36 25.978 34.176 46.864 1.00 42.45 C ATOM 222 C4' DC C 36 24.507 33.920 46.727 1.00 41.19 C ATOM 223 O4' DC C 36 24.322 32.666 46.008 1.00 40.08 O ATOM 224 C3' DC C 36 23.835 33.813 48.095 1.00 40.71 C ATOM 225 O3' DC C 36 22.490 34.401 47.986 1.00 41.92 O ATOM 226 C2' DC C 36 23.833 32.275 48.252 1.00 39.02 C ATOM 227 C1' DC C 36 23.551 31.749 46.823 1.00 37.34 C ATOM 228 N1 DC C 36 24.027 30.351 46.575 1.00 33.07 N ATOM 229 C2 DC C 36 23.268 29.507 45.804 1.00 30.95 C ATOM 230 O2 DC C 36 22.252 29.904 45.261 1.00 31.08 O ATOM 231 N3 DC C 36 23.640 28.234 45.603 1.00 29.22 N ATOM 232 C4 DC C 36 24.759 27.820 46.157 1.00 29.24 C ATOM 233 N4 DC C 36 25.112 26.565 45.980 1.00 28.25 N ATOM 234 C5 DC C 36 25.581 28.670 46.954 1.00 30.13 C ATOM 235 C6 DC C 36 25.165 29.931 47.134 1.00 31.34 C TER 236 DC C 36 ATOM 237 O5' DG D 37 17.527 21.063 41.146 1.00 50.62 O ATOM 238 C5' DG D 37 16.263 21.639 41.563 1.00 49.42 C ATOM 239 C4' DG D 37 16.258 23.205 41.469 1.00 48.42 C ATOM 240 O4' DG D 37 17.283 23.786 42.356 1.00 46.82 O ATOM 241 C3' DG D 37 16.530 23.712 39.998 1.00 48.46 C ATOM 242 O3' DG D 37 15.749 24.924 39.899 1.00 50.31 O ATOM 243 C2' DG D 37 18.045 23.993 40.093 1.00 46.40 C ATOM 244 C1' DG D 37 18.179 24.566 41.535 1.00 44.01 C ATOM 245 N9 DG D 37 19.519 24.404 42.129 1.00 39.22 N ATOM 246 C8 DG D 37 20.379 23.328 42.059 1.00 37.97 C ATOM 247 N7 DG D 37 21.506 23.519 42.708 1.00 36.27 N ATOM 248 C5 DG D 37 21.378 24.815 43.239 1.00 34.98 C ATOM 249 C6 DG D 37 22.277 25.568 44.035 1.00 34.02 C ATOM 250 O6 DG D 37 23.373 25.218 44.476 1.00 34.51 O ATOM 251 N1 DG D 37 21.765 26.808 44.338 1.00 32.77 N ATOM 252 C2 DG D 37 20.541 27.265 43.942 1.00 32.55 C ATOM 253 N2 DG D 37 20.246 28.480 44.328 1.00 31.90 N ATOM 254 N3 DG D 37 19.670 26.579 43.206 1.00 33.68 N ATOM 255 C4 DG D 37 20.168 25.359 42.884 1.00 35.80 C ATOM 256 P DG D 38 15.464 25.578 38.419 1.00 51.83 P ATOM 257 OP1 DG D 38 13.981 25.694 38.171 1.00 52.11 O ATOM 258 OP2 DG D 38 16.323 24.829 37.445 1.00 52.05 O ATOM 259 O5' DG D 38 16.125 27.040 38.765 1.00 50.39 O ATOM 260 C5' DG D 38 15.386 27.911 39.596 1.00 49.45 C ATOM 261 C4' DG D 38 16.226 29.161 39.848 1.00 49.10 C ATOM 262 O4' DG D 38 17.447 28.826 40.567 1.00 48.41 O ATOM 263 C3' DG D 38 16.672 29.835 38.539 1.00 49.21 C ATOM 264 O3' DG D 38 16.512 31.236 38.719 1.00 50.54 O ATOM 265 C2' DG D 38 18.161 29.498 38.503 1.00 48.06 C ATOM 266 C1' DG D 38 18.621 29.422 39.969 1.00 46.77 C ATOM 267 N9 DG D 38 19.763 28.472 40.113 1.00 44.16 N ATOM 268 C8 DG D 38 19.890 27.175 39.638 1.00 43.11 C ATOM 269 N7 DG D 38 21.043 26.588 39.897 1.00 41.94 N ATOM 270 C5 DG D 38 21.732 27.585 40.594 1.00 41.32 C ATOM 271 C6 DG D 38 23.038 27.561 41.143 1.00 40.58 C ATOM 272 O6 DG D 38 23.854 26.639 41.096 1.00 40.71 O ATOM 273 N1 DG D 38 23.372 28.735 41.762 1.00 40.28 N ATOM 274 C2 DG D 38 22.528 29.813 41.846 1.00 41.27 C ATOM 275 N2 DG D 38 23.017 30.859 42.485 1.00 41.26 N ATOM 276 N3 DG D 38 21.286 29.873 41.341 1.00 41.87 N ATOM 277 C4 DG D 38 20.958 28.718 40.725 1.00 42.31 C ATOM 278 P DA D 39 16.757 32.166 37.415 1.00 51.61 P ATOM 279 OP1 DA D 39 15.814 33.341 37.501 1.00 52.26 O ATOM 280 OP2 DA D 39 16.802 31.267 36.211 1.00 51.69 O ATOM 281 O5' DA D 39 18.251 32.671 37.727 1.00 49.92 O ATOM 282 C5' DA D 39 18.308 33.617 38.782 1.00 48.11 C ATOM 283 C4' DA D 39 19.715 34.148 38.951 1.00 46.46 C ATOM 284 O4' DA D 39 20.593 33.043 39.260 1.00 45.08 O ATOM 285 C3' DA D 39 20.203 34.828 37.682 1.00 45.96 C ATOM 286 O3' DA D 39 20.906 35.993 38.072 1.00 47.33 O ATOM 287 C2' DA D 39 21.139 33.778 37.141 1.00 44.51 C ATOM 288 C1' DA D 39 21.711 33.056 38.374 1.00 42.90 C ATOM 289 N9 DA D 39 22.080 31.639 38.144 1.00 39.21 N ATOM 290 C8 DA D 39 21.332 30.667 37.503 1.00 38.05 C ATOM 291 N7 DA D 39 21.910 29.495 37.482 1.00 36.89 N ATOM 292 C5 DA D 39 23.128 29.719 38.151 1.00 36.07 C ATOM 293 C6 DA D 39 24.200 28.871 38.463 1.00 35.42 C ATOM 294 N6 DA D 39 24.209 27.602 38.081 1.00 35.65 N ATOM 295 N1 DA D 39 25.253 29.355 39.125 1.00 34.68 N ATOM 296 C2 DA D 39 25.206 30.642 39.449 1.00 34.91 C ATOM 297 N3 DA D 39 24.278 31.564 39.225 1.00 35.66 N ATOM 298 C4 DA D 39 23.239 31.014 38.554 1.00 36.67 C ATOM 299 P DG D 40 21.204 37.100 36.920 1.00 48.81 P ATOM 300 OP1 DG D 40 21.193 38.460 37.566 1.00 49.08 O ATOM 301 OP2 DG D 40 20.355 36.780 35.722 1.00 48.79 O ATOM 302 O5' DG D 40 22.698 36.695 36.524 1.00 47.44 O ATOM 303 C5' DG D 40 23.723 37.108 37.437 1.00 45.91 C ATOM 304 C4' DG D 40 25.030 36.483 36.998 1.00 44.36 C ATOM 305 O4' DG D 40 24.933 35.022 37.108 1.00 43.86 O ATOM 306 C3' DG D 40 25.260 36.845 35.506 1.00 43.48 C ATOM 307 O3' DG D 40 26.623 37.115 35.209 1.00 43.62 O ATOM 308 C2' DG D 40 24.914 35.517 34.886 1.00 43.15 C ATOM 309 C1' DG D 40 25.477 34.524 35.897 1.00 42.44 C ATOM 310 N9 DG D 40 25.031 33.145 35.646 1.00 40.17 N ATOM 311 C8 DG D 40 23.903 32.646 35.048 1.00 39.00 C ATOM 312 N7 DG D 40 23.921 31.346 34.908 1.00 38.04 N ATOM 313 C5 DG D 40 25.149 30.981 35.463 1.00 37.83 C ATOM 314 C6 DG D 40 25.753 29.711 35.605 1.00 37.26 C ATOM 315 O6 DG D 40 25.332 28.614 35.239 1.00 37.35 O ATOM 316 N1 DG D 40 26.980 29.790 36.210 1.00 36.99 N ATOM 317 C2 DG D 40 27.555 30.949 36.622 1.00 37.71 C ATOM 318 N2 DG D 40 28.745 30.810 37.184 1.00 38.34 N ATOM 319 N3 DG D 40 27.006 32.157 36.499 1.00 37.77 N ATOM 320 C4 DG D 40 25.809 32.082 35.910 1.00 38.54 C ATOM 321 P DA D 41 26.940 37.930 33.817 1.00 43.65 P ATOM 322 OP1 DA D 41 27.017 39.377 34.159 1.00 43.88 O ATOM 323 OP2 DA D 41 26.132 37.459 32.640 1.00 42.66 O ATOM 324 O5' DA D 41 28.438 37.394 33.597 1.00 42.23 O ATOM 325 C5' DA D 41 29.546 37.763 34.449 1.00 39.62 C ATOM 326 C4' DA D 41 30.575 36.594 34.563 1.00 37.12 C ATOM 327 O4' DA D 41 29.919 35.493 35.223 1.00 35.36 O ATOM 328 C3' DA D 41 31.035 36.045 33.203 1.00 35.82 C ATOM 329 O3' DA D 41 32.157 36.717 32.629 1.00 35.71 O ATOM 330 C2' DA D 41 31.527 34.734 33.726 1.00 34.86 C ATOM 331 C1' DA D 41 30.435 34.265 34.692 1.00 33.52 C ATOM 332 N9 DA D 41 29.337 33.493 34.000 1.00 30.56 N ATOM 333 C8 DA D 41 28.121 33.928 33.552 1.00 29.44 C ATOM 334 N7 DA D 41 27.355 32.980 33.050 1.00 28.11 N ATOM 335 C5 DA D 41 28.118 31.836 33.181 1.00 26.85 C ATOM 336 C6 DA D 41 27.884 30.514 32.843 1.00 25.07 C ATOM 337 N6 DA D 41 26.775 30.095 32.289 1.00 24.23 N ATOM 338 N1 DA D 41 28.818 29.614 33.091 1.00 25.42 N ATOM 339 C2 DA D 41 29.946 30.024 33.644 1.00 26.46 C ATOM 340 N3 DA D 41 30.305 31.244 34.013 1.00 27.62 N ATOM 341 C4 DA D 41 29.319 32.128 33.749 1.00 28.44 C ATOM 342 P DC D 42 32.330 36.622 31.032 1.00 36.05 P ATOM 343 OP1 DC D 42 33.513 37.455 30.678 1.00 37.07 O ATOM 344 OP2 DC D 42 31.007 36.792 30.371 1.00 35.30 O ATOM 345 O5' DC D 42 32.730 35.086 30.842 1.00 34.06 O ATOM 346 C5' DC D 42 34.050 34.680 31.190 1.00 30.79 C ATOM 347 C4' DC D 42 34.206 33.196 30.962 1.00 28.16 C ATOM 348 O4' DC D 42 33.120 32.622 31.661 1.00 26.80 O ATOM 349 C3' DC D 42 34.101 32.716 29.507 1.00 26.74 C ATOM 350 O3' DC D 42 35.378 32.649 28.875 1.00 26.84 O ATOM 351 C2' DC D 42 33.693 31.330 29.806 1.00 26.09 C ATOM 352 C1' DC D 42 32.787 31.434 30.980 1.00 25.64 C ATOM 353 N1 DC D 42 31.416 31.513 30.533 1.00 24.36 N ATOM 354 C2 DC D 42 30.765 30.358 30.210 1.00 23.80 C ATOM 355 O2 DC D 42 31.254 29.233 30.259 1.00 24.10 O ATOM 356 N3 DC D 42 29.501 30.453 29.785 1.00 23.34 N ATOM 357 C4 DC D 42 28.884 31.610 29.667 1.00 23.31 C ATOM 358 N4 DC D 42 27.647 31.611 29.203 1.00 22.94 N ATOM 359 C5 DC D 42 29.531 32.814 29.997 1.00 23.78 C ATOM 360 C6 DC D 42 30.799 32.710 30.427 1.00 23.97 C ATOM 361 P DC D 43 35.524 32.840 27.287 1.00 27.33 P ATOM 362 OP1 DC D 43 36.946 33.095 26.984 1.00 29.05 O ATOM 363 OP2 DC D 43 34.486 33.799 26.832 1.00 26.46 O ATOM 364 O5' DC D 43 35.160 31.386 26.754 1.00 25.51 O ATOM 365 C5' DC D 43 36.131 30.385 26.585 1.00 23.12 C ATOM 366 C4' DC D 43 35.487 29.249 25.871 1.00 21.51 C ATOM 367 O4' DC D 43 34.383 28.742 26.572 1.00 20.80 O ATOM 368 C3' DC D 43 34.855 29.732 24.629 1.00 20.76 C ATOM 369 O3' DC D 43 35.901 29.846 23.710 1.00 21.80 O ATOM 370 C2' DC D 43 33.941 28.594 24.347 1.00 19.66 C ATOM 371 C1' DC D 43 33.442 28.182 25.671 1.00 19.95 C ATOM 372 N1 DC D 43 32.153 28.773 25.963 1.00 19.33 N ATOM 373 C2 DC D 43 31.064 28.150 25.515 1.00 19.04 C ATOM 374 O2 DC D 43 31.144 27.075 24.970 1.00 19.12 O ATOM 375 N3 DC D 43 29.865 28.689 25.713 1.00 19.31 N ATOM 376 C4 DC D 43 29.761 29.833 26.362 1.00 19.10 C ATOM 377 N4 DC D 43 28.567 30.365 26.532 1.00 18.38 N ATOM 378 C5 DC D 43 30.896 30.504 26.856 1.00 18.24 C ATOM 379 C6 DC D 43 32.071 29.927 26.627 1.00 18.23 C ATOM 380 P DA D 44 35.847 30.683 22.390 1.00 22.55 P ATOM 381 OP1 DA D 44 37.219 30.710 21.859 1.00 23.54 O ATOM 382 OP2 DA D 44 35.164 31.961 22.609 1.00 22.46 O ATOM 383 O5' DA D 44 34.928 29.789 21.500 1.00 20.82 O ATOM 384 C5' DA D 44 34.015 30.359 20.600 1.00 20.06 C ATOM 385 C4' DA D 44 32.945 29.381 20.313 1.00 20.84 C ATOM 386 O4' DA D 44 32.272 29.083 21.530 1.00 21.10 O ATOM 387 C3' DA D 44 31.895 29.975 19.480 1.00 21.70 C ATOM 388 O3' DA D 44 32.254 29.911 18.117 1.00 23.30 O ATOM 389 C2' DA D 44 30.805 28.987 19.795 1.00 20.96 C ATOM 390 C1' DA D 44 30.909 28.766 21.277 1.00 20.15 C ATOM 391 N9 DA D 44 30.042 29.664 22.064 1.00 19.00 N ATOM 392 C8 DA D 44 30.344 30.730 22.833 1.00 19.03 C ATOM 393 N7 DA D 44 29.345 31.310 23.441 1.00 19.81 N ATOM 394 C5 DA D 44 28.298 30.550 23.029 1.00 19.37 C ATOM 395 C6 DA D 44 26.970 30.622 23.299 1.00 18.95 C ATOM 396 N6 DA D 44 26.421 31.497 24.089 1.00 19.28 N ATOM 397 N1 DA D 44 26.199 29.739 22.739 1.00 19.03 N ATOM 398 C2 DA D 44 26.724 28.830 21.955 1.00 19.52 C ATOM 399 N3 DA D 44 27.963 28.626 21.602 1.00 19.60 N ATOM 400 C4 DA D 44 28.713 29.553 22.194 1.00 19.57 C ATOM 401 P DG D 45 31.674 31.016 17.152 1.00 24.63 P ATOM 402 OP1 DG D 45 32.410 30.827 15.904 1.00 25.54 O ATOM 403 OP2 DG D 45 31.692 32.306 17.861 1.00 23.29 O ATOM 404 O5' DG D 45 30.182 30.741 16.796 1.00 24.54 O ATOM 405 C5' DG D 45 29.922 29.558 16.070 1.00 25.88 C ATOM 406 C4' DG D 45 28.454 29.139 16.136 1.00 26.65 C ATOM 407 O4' DG D 45 28.016 28.895 17.494 1.00 26.50 O ATOM 408 C3' DG D 45 27.614 30.258 15.641 1.00 27.52 C ATOM 409 O3' DG D 45 27.587 30.201 14.229 1.00 29.31 O ATOM 410 C2' DG D 45 26.342 29.772 16.255 1.00 26.76 C ATOM 411 C1' DG D 45 26.686 29.353 17.668 1.00 25.62 C ATOM 412 N9 DG D 45 26.705 30.459 18.625 1.00 24.27 N ATOM 413 C8 DG D 45 27.734 31.195 19.086 1.00 24.45 C ATOM 414 N7 DG D 45 27.419 32.051 20.021 1.00 24.93 N ATOM 415 C5 DG D 45 26.069 31.857 20.175 1.00 24.62 C ATOM 416 C6 DG D 45 25.158 32.484 21.041 1.00 25.10 C ATOM 417 O6 DG D 45 25.396 33.308 21.914 1.00 25.31 O ATOM 418 N1 DG D 45 23.875 31.993 20.870 1.00 25.37 N ATOM 419 C2 DG D 45 23.548 31.007 19.976 1.00 25.24 C ATOM 420 N2 DG D 45 22.291 30.591 19.953 1.00 25.21 N ATOM 421 N3 DG D 45 24.420 30.424 19.170 1.00 24.95 N ATOM 422 C4 DG D 45 25.645 30.894 19.319 1.00 24.23 C ATOM 423 P DA D 46 27.084 31.431 13.352 1.00 29.89 P ATOM 424 OP1 DA D 46 27.117 31.009 11.925 1.00 30.23 O ATOM 425 OP2 DA D 46 27.807 32.632 13.827 1.00 29.33 O ATOM 426 O5' DA D 46 25.554 31.614 13.747 1.00 28.16 O ATOM 427 C5' DA D 46 24.592 30.673 13.258 1.00 27.47 C ATOM 428 C4' DA D 46 23.183 30.895 13.823 1.00 27.64 C ATOM 429 O4' DA D 46 23.231 30.832 15.233 1.00 27.15 O ATOM 430 C3' DA D 46 22.676 32.299 13.610 1.00 28.45 C ATOM 431 O3' DA D 46 22.139 32.383 12.292 1.00 30.09 O ATOM 432 C2' DA D 46 21.621 32.343 14.680 1.00 26.82 C ATOM 433 C1' DA D 46 22.252 31.663 15.830 1.00 26.24 C ATOM 434 N9 DA D 46 22.940 32.596 16.704 1.00 25.63 N ATOM 435 C8 DA D 46 24.257 32.913 16.746 1.00 26.00 C ATOM 436 N7 DA D 46 24.527 33.837 17.631 1.00 26.37 N ATOM 437 C5 DA D 46 23.321 34.144 18.206 1.00 25.56 C ATOM 438 C6 DA D 46 22.939 35.043 19.201 1.00 25.93 C ATOM 439 N6 DA D 46 23.765 35.856 19.820 1.00 26.13 N ATOM 440 N1 DA D 46 21.666 35.099 19.541 1.00 26.15 N ATOM 441 C2 DA D 46 20.846 34.292 18.894 1.00 26.33 C ATOM 442 N3 DA D 46 21.078 33.411 17.949 1.00 26.14 N ATOM 443 C4 DA D 46 22.360 33.390 17.642 1.00 25.51 C ATOM 444 P DG D 47 22.142 33.777 11.497 1.00 32.27 P ATOM 445 OP1 DG D 47 21.564 33.499 10.173 1.00 33.55 O ATOM 446 OP2 DG D 47 23.435 34.476 11.579 1.00 32.15 O ATOM 447 O5' DG D 47 21.132 34.696 12.327 1.00 31.57 O ATOM 448 C5' DG D 47 19.724 34.487 12.189 1.00 30.46 C ATOM 449 C4' DG D 47 18.987 35.337 13.208 1.00 30.21 C ATOM 450 O4' DG D 47 19.483 35.079 14.528 1.00 29.56 O ATOM 451 C3' DG D 47 19.366 36.802 13.080 1.00 30.99 C ATOM 452 O3' DG D 47 18.736 37.435 11.974 1.00 32.75 O ATOM 453 C2' DG D 47 18.751 37.260 14.369 1.00 29.72 C ATOM 454 C1' DG D 47 19.221 36.213 15.368 1.00 28.26 C ATOM 455 N9 DG D 47 20.423 36.710 16.012 1.00 25.82 N ATOM 456 C8 DG D 47 21.696 36.465 15.694 1.00 25.39 C ATOM 457 N7 DG D 47 22.547 37.088 16.459 1.00 25.48 N ATOM 458 C5 DG D 47 21.762 37.792 17.340 1.00 24.76 C ATOM 459 C6 DG D 47 22.114 38.649 18.388 1.00 24.52 C ATOM 460 O6 DG D 47 23.235 38.980 18.747 1.00 24.46 O ATOM 461 N1 DG D 47 21.021 39.143 19.026 1.00 24.83 N ATOM 462 C2 DG D 47 19.750 38.850 18.682 1.00 26.56 C ATOM 463 N2 DG D 47 18.806 39.348 19.465 1.00 27.46 N ATOM 464 N3 DG D 47 19.415 38.054 17.690 1.00 26.63 N ATOM 465 C4 DG D 47 20.468 37.561 17.064 1.00 25.23 C ATOM 466 P DG D 48 18.964 38.985 11.698 1.00 34.05 P ATOM 467 OP1 DG D 48 19.064 39.096 10.240 1.00 34.75 O ATOM 468 OP2 DG D 48 20.023 39.562 12.531 1.00 33.74 O ATOM 469 O5' DG D 48 17.570 39.493 12.225 1.00 33.42 O ATOM 470 C5' DG D 48 17.498 40.811 12.780 1.00 32.71 C ATOM 471 C4' DG D 48 17.074 40.777 14.223 1.00 31.21 C ATOM 472 O4' DG D 48 18.158 40.265 15.020 1.00 30.08 O ATOM 473 C3' DG D 48 16.803 42.137 14.746 1.00 30.89 C ATOM 474 O3' DG D 48 15.935 42.064 15.844 1.00 32.65 O ATOM 475 C2' DG D 48 18.117 42.527 15.300 1.00 29.95 C ATOM 476 C1' DG D 48 18.563 41.266 15.988 1.00 28.81 C ATOM 477 N9 DG D 48 20.022 41.301 16.203 1.00 26.00 N ATOM 478 C8 DG D 48 20.967 40.653 15.492 1.00 25.31 C ATOM 479 N7 DG D 48 22.178 40.911 15.890 1.00 25.62 N ATOM 480 C5 DG D 48 22.013 41.801 16.940 1.00 25.17 C ATOM 481 C6 DG D 48 22.953 42.441 17.764 1.00 25.09 C ATOM 482 O6 DG D 48 24.169 42.414 17.750 1.00 25.72 O ATOM 483 N1 DG D 48 22.386 43.239 18.684 1.00 24.77 N ATOM 484 C2 DG D 48 21.068 43.415 18.817 1.00 24.58 C ATOM 485 N2 DG D 48 20.705 44.208 19.801 1.00 24.18 N ATOM 486 N3 DG D 48 20.157 42.835 18.058 1.00 25.12 N ATOM 487 C4 DG D 48 20.701 42.041 17.132 1.00 25.14 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 HETATM 492 O HOH C 67 21.939 16.250 26.841 1.00 40.78 O HETATM 493 O HOH C 72 30.084 45.794 25.509 1.00 58.73 O HETATM 494 O HOH C 73 26.775 16.922 26.421 1.00 38.53 O HETATM 495 O HOH C 75 32.544 26.020 45.359 1.00 61.52 O HETATM 496 O HOH C 78 23.615 20.871 31.218 1.00 44.33 O HETATM 497 O HOH C 81 29.021 16.849 28.273 1.00 59.03 O HETATM 498 O HOH C 98 21.939 16.250 26.841 1.00 40.78 O HETATM 499 O HOH C 103 30.084 45.794 25.509 1.00 58.73 O HETATM 500 O HOH C 104 26.775 16.922 26.421 1.00 38.53 O HETATM 501 O HOH C 106 32.544 26.020 45.359 1.00 61.52 O HETATM 502 O HOH C 109 23.615 20.871 31.218 1.00 44.33 O HETATM 503 O HOH C 112 29.021 16.849 28.273 1.00 59.03 O HETATM 504 O HOH D 57 12.472 25.062 33.784 1.00 57.00 O HETATM 505 O HOH D 64 19.616 32.030 8.954 1.00 68.65 O HETATM 506 O HOH D 65 20.638 29.144 17.716 1.00 58.23 O HETATM 507 O HOH D 70 27.886 39.049 36.620 1.00 49.02 O HETATM 508 O HOH D 71 29.367 38.872 29.424 1.00 68.31 O HETATM 509 O HOH D 74 28.851 33.334 25.064 1.00 56.07 O HETATM 510 O HOH D 77 11.666 24.703 36.842 1.00 59.25 O HETATM 511 O HOH D 88 12.472 25.062 33.784 1.00 57.00 O HETATM 512 O HOH D 95 19.616 32.030 8.954 1.00 68.65 O HETATM 513 O HOH D 96 20.638 29.144 17.716 1.00 85.09 O HETATM 514 O HOH D 101 27.886 39.049 36.620 1.00 49.02 O HETATM 515 O HOH D 102 29.367 38.872 29.424 1.00 68.31 O HETATM 516 O HOH D 105 28.851 33.334 25.064 1.00 56.07 O HETATM 517 O HOH D 108 11.666 24.703 36.842 1.00 59.25 O ENDMDL MASTER 7 0 0 0 0 0 2 6 1040 4 0 4 END