HEADER DEOXYRIBONUCLEIC ACID 18-AUG-88 JRNL AUTH F.Takusagawa, M.Dabrow, S.Neidle, H.M.Berman JRNL TITL The Structure of a Pseudo Intercalated Complex JRNL TITL 2 between Actinomycin and the DNA Binding Sequence JRNL TITL 3 d(GpC) JRNL REF Nature V. 296 466 1982 JRNL REFN ASTM NATUAS UK ISSN 0028-0836 0006 SEQRES 1 A 2 G C CRYST1 16.577 16.577 56.200 90.00 90.00 120.00 P 32 2 1 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 0.060325 0.034828 0.000000 0.00000 SCALE2 0.000000 0.069657 0.000000 0.00000 SCALE3 0.000000 0.000000 0.017794 0.00000 ATOM 1 O5* G A 1 10.371 7.160 43.622 1.00 34.69 O ATOM 2 C5* G A 1 9.853 5.988 43.018 1.00 23.89 C ATOM 3 C4* G A 1 8.369 5.805 43.005 1.00 11.53 C ATOM 4 O4* G A 1 8.272 5.535 41.566 1.00 22.41 O ATOM 5 C3* G A 1 7.970 4.530 43.679 1.00 26.16 C ATOM 6 O3* G A 1 6.578 4.411 43.848 1.00 30.05 O ATOM 7 C2* G A 1 8.499 3.499 42.615 1.00 26.54 C ATOM 8 C1* G A 1 8.281 4.135 41.368 1.00 13.95 C ATOM 9 N9 G A 1 9.438 3.668 40.496 1.00 14.15 N ATOM 10 C8 G A 1 10.775 3.929 40.753 1.00 15.16 C ATOM 11 N7 G A 1 11.557 3.733 39.733 1.00 18.35 N ATOM 12 C5 G A 1 10.700 3.424 38.682 1.00 12.47 C ATOM 13 C6 G A 1 10.965 3.347 37.281 1.00 12.61 C ATOM 14 O6 G A 1 12.022 3.337 36.696 1.00 17.67 O ATOM 15 N1 G A 1 9.767 3.203 36.574 1.00 14.13 N ATOM 16 C2 G A 1 8.502 3.113 37.114 1.00 17.87 C ATOM 17 N2 G A 1 7.512 2.933 36.245 1.00 16.24 N ATOM 18 N3 G A 1 8.245 3.445 38.386 1.00 18.89 N ATOM 19 C4 G A 1 9.393 3.546 39.108 1.00 7.93 C ATOM 20 P C A 2 5.931 3.846 45.216 1.00 26.90 P ATOM 21 O1P C A 2 6.427 2.454 45.438 1.00 19.30 O ATOM 22 O2P C A 2 4.469 3.991 45.162 1.00 22.73 O ATOM 23 O5* C A 2 6.556 4.776 46.318 1.00 24.09 O ATOM 24 C5* C A 2 6.034 6.087 46.489 1.00 19.98 C ATOM 25 C4* C A 2 6.788 6.782 47.554 1.00 25.11 C ATOM 26 O4* C A 2 6.214 6.634 48.876 1.00 26.71 O ATOM 27 C3* C A 2 8.187 6.250 47.604 1.00 34.31 C ATOM 28 O3* C A 2 9.101 7.266 48.036 1.00 26.59 O ATOM 29 C2* C A 2 7.893 5.052 48.530 1.00 28.98 C ATOM 30 C1* C A 2 7.029 5.770 49.514 1.00 21.68 C ATOM 31 N1 C A 2 6.228 4.915 50.362 1.00 19.32 N ATOM 32 C2 C A 2 6.522 4.916 51.715 1.00 17.52 C ATOM 33 O2 C A 2 7.352 5.732 52.128 1.00 19.24 O ATOM 34 N3 C A 2 5.864 4.029 52.498 1.00 16.73 N ATOM 35 C4 C A 2 5.266 2.942 51.977 1.00 9.98 C ATOM 36 N4 C A 2 4.854 1.988 52.772 1.00 23.18 N ATOM 37 C5 C A 2 4.923 2.915 50.582 1.00 17.32 C ATOM 38 C6 C A 2 5.367 3.970 49.845 1.00 12.37 C TER 39 C A 2 ATOM 40 O5* G C 1 5.191 5.402 24.889 1.00 34.69 O ATOM 41 C5* G C 1 6.465 5.539 24.285 1.00 23.89 C ATOM 42 C4* G C 1 7.365 4.345 24.272 1.00 11.53 C ATOM 43 O4* G C 1 7.648 4.396 22.833 1.00 22.41 O ATOM 44 C3* G C 1 8.669 4.637 24.946 1.00 26.16 C ATOM 45 O3* G C 1 9.468 3.491 25.115 1.00 30.05 O ATOM 46 C2* G C 1 9.297 5.611 23.882 1.00 26.54 C ATOM 47 C1* G C 1 8.855 5.104 22.635 1.00 13.95 C ATOM 48 N9 G C 1 8.681 6.340 21.763 1.00 14.15 N ATOM 49 C8 G C 1 7.787 7.367 22.020 1.00 15.16 C ATOM 50 N7 G C 1 7.566 8.142 21.000 1.00 18.35 N ATOM 51 C5 G C 1 8.262 7.555 19.949 1.00 12.47 C ATOM 52 C6 G C 1 8.196 7.823 18.548 1.00 12.61 C ATOM 53 O6 G C 1 7.676 8.743 17.963 1.00 17.67 O ATOM 54 N1 G C 1 8.920 6.857 17.841 1.00 14.13 N ATOM 55 C2 G C 1 9.630 5.806 18.381 1.00 17.87 C ATOM 56 N2 G C 1 10.281 5.039 17.511 1.00 16.24 N ATOM 57 N3 G C 1 9.471 5.418 19.653 1.00 18.89 N ATOM 58 C4 G C 1 8.810 6.362 20.375 1.00 7.93 C ATOM 59 P C C 2 10.281 3.213 26.483 1.00 26.90 P ATOM 60 O1P C C 2 11.238 4.339 26.705 1.00 19.30 O ATOM 61 O2P C C 2 10.886 1.875 26.429 1.00 22.73 O ATOM 62 O5* C C 2 9.163 3.290 27.585 1.00 24.09 O ATOM 63 C5* C C 2 8.288 2.182 27.756 1.00 19.98 C ATOM 64 C4* C C 2 7.310 2.488 28.821 1.00 25.11 C ATOM 65 O4* C C 2 7.725 2.064 30.143 1.00 26.71 O ATOM 66 C3* C C 2 7.071 3.965 28.871 1.00 34.31 C ATOM 67 O3* C C 2 5.734 4.249 29.303 1.00 26.59 O ATOM 68 C2* C C 2 8.255 4.310 29.797 1.00 28.98 C ATOM 69 C1* C C 2 8.066 3.202 30.781 1.00 21.68 C ATOM 70 N1 C C 2 9.206 2.936 31.629 1.00 19.32 N ATOM 71 C2 C C 2 9.059 3.190 32.982 1.00 17.52 C ATOM 72 O2 C C 2 7.937 3.501 33.395 1.00 19.24 O ATOM 73 N3 C C 2 10.156 3.064 33.765 1.00 16.73 N ATOM 74 C4 C C 2 11.396 3.089 33.244 1.00 9.98 C ATOM 75 N4 C C 2 12.428 3.210 34.039 1.00 23.18 N ATOM 76 C5 C C 2 11.591 2.806 31.849 1.00 17.32 C ATOM 77 C6 C C 2 10.455 2.663 31.112 1.00 12.37 C TER 78 C C 2 HETATM 79 C1 PXZ B 3 8.278 0.209 39.832 1.00 16.81 C HETATM 80 C2 PXZ B 3 8.989 0.033 40.999 1.00 17.01 C HETATM 81 N2 PXZ B 3 8.273 0.233 42.263 0.50 12.49 N HETATM 82 C3 PXZ B 3 10.393 0.235 40.986 1.00 13.52 C HETATM 83 O3 PXZ B 3 10.994 0.198 42.095 0.50 20.80 O HETATM 84 C4 PXZ B 3 11.122 0.308 39.779 1.00 19.12 C HETATM 85 O5 PXZ B 3 11.109 0.000 37.468 0.50 9.98 O HETATM 86 N10 PXZ B 3 8.268 0.000 37.468 0.50 18.19 N HETATM 87 C11 PXZ B 3 8.990 0.125 38.605 1.00 11.81 C HETATM 88 C12 PXZ B 3 10.388 0.267 38.614 1.00 12.75 C HETATM 89 C15 PXZ B 3 12.659 0.157 39.768 1.00 19.36 C HETATM 90 C PXZ B 3 6.805 0.228 39.900 1.00 16.23 C HETATM 91 O PXZ B 3 6.170 -0.587 40.581 1.00 27.27 O HETATM 92 N THR B 4 6.195 1.324 39.386 1.00 14.64 N HETATM 93 CA THR B 4 4.723 1.375 39.395 1.00 11.41 CA HETATM 94 C THR B 4 4.218 1.734 38.037 1.00 15.50 C HETATM 95 O THR B 4 4.977 2.323 37.221 1.00 23.47 O HETATM 96 OG1 THR B 4 5.114 3.531 40.321 1.00 26.42 O HETATM 97 CB THR B 4 4.169 2.416 40.377 1.00 10.15 C HETATM 98 CG2 THR B 4 4.215 1.941 41.864 1.00 18.46 C HETATM 99 N VAL B 5 2.919 1.617 37.827 1.00 18.34 N HETATM 100 CA VAL B 5 2.026 2.261 36.865 1.00 30.18 CA HETATM 101 CB VAL B 5 0.606 2.097 37.469 1.00 24.94 C HETATM 102 CG1 VAL B 5 -0.365 2.694 36.447 1.00 25.15 C HETATM 103 CG2 VAL B 5 0.409 2.752 38.841 1.00 51.54 C HETATM 104 C VAL B 5 2.351 1.684 35.472 1.00 17.97 C HETATM 105 O VAL B 5 1.930 0.512 35.259 1.00 16.57 O HETATM 106 N PRO B 6 2.779 2.523 34.503 1.00 14.67 N HETATM 107 CA PRO B 6 3.448 3.772 34.720 1.00 28.50 CA HETATM 108 CD PRO B 6 2.960 1.981 33.089 1.00 11.81 CD HETATM 109 CG PRO B 6 3.661 3.123 32.396 1.00 14.33 C HETATM 110 CB PRO B 6 4.477 3.853 33.560 1.00 16.41 C HETATM 111 C PRO B 6 2.824 5.063 34.756 1.00 17.90 C HETATM 112 O PRO B 6 1.619 5.044 34.379 1.00 19.91 O HETATM 113 N SAR B 7 3.204 5.962 35.696 1.00 22.17 N HETATM 114 CN SAR B 7 2.468 7.269 35.721 1.00 19.13 C HETATM 115 CA SAR B 7 4.456 5.952 36.407 1.00 21.30 CA HETATM 116 C SAR B 7 4.150 5.649 37.949 1.00 11.71 C HETATM 117 O SAR B 7 2.968 5.635 38.346 1.00 16.21 O HETATM 118 N MVA B 8 5.093 6.040 38.726 1.00 13.91 N HETATM 119 CN MVA B 8 6.466 6.181 38.289 1.00 23.58 C HETATM 120 CA MVA B 8 4.963 5.987 40.214 1.00 14.98 CA HETATM 121 CB MVA B 8 4.478 7.400 40.779 1.00 24.83 C HETATM 122 CG1 MVA B 8 5.289 8.423 39.959 1.00 23.96 C HETATM 123 CG2 MVA B 8 3.021 7.503 40.518 1.00 48.88 C HETATM 124 C MVA B 8 4.687 4.698 40.808 1.00 20.36 C HETATM 125 O MVA B 8 3.578 4.745 41.370 1.00 33.02 O HETATM 126 C1 PXZ D 3 8.278 -0.209 35.101 1.00 16.81 C HETATM 127 C2 PXZ D 3 8.989 -0.033 33.934 1.00 17.01 C HETATM 128 N2 PXZ D 3 8.273 -0.233 32.670 0.50 12.49 N HETATM 129 C3 PXZ D 3 10.393 -0.235 33.947 1.00 13.52 C HETATM 130 O3 PXZ D 3 10.994 -0.198 32.838 0.50 20.80 O HETATM 131 C4 PXZ D 3 11.122 -0.308 35.154 1.00 19.12 C HETATM 132 O5 PXZ D 3 11.109 0.000 37.465 0.50 9.98 O HETATM 133 N10 PXZ D 3 8.268 0.000 37.465 0.50 18.19 N HETATM 134 C11 PXZ D 3 8.990 -0.125 36.328 1.00 11.81 C HETATM 135 C12 PXZ D 3 10.388 -0.267 36.319 1.00 12.75 C HETATM 136 C15 PXZ D 3 12.659 -0.157 35.165 1.00 19.36 C HETATM 137 C PXZ D 3 6.805 -0.228 35.033 1.00 16.23 C HETATM 138 O PXZ D 3 6.170 0.587 34.352 1.00 27.27 O HETATM 139 N THR D 4 6.195 -1.324 35.547 1.00 14.64 N HETATM 140 CA THR D 4 4.723 -1.375 35.538 1.00 11.41 CA HETATM 141 C THR D 4 4.218 -1.734 36.896 1.00 15.50 C HETATM 142 O THR D 4 4.977 -2.323 37.712 1.00 23.47 O HETATM 143 OG1 THR D 4 5.114 -3.531 34.612 1.00 26.42 O HETATM 144 CB THR D 4 4.169 -2.416 34.556 1.00 10.15 C HETATM 145 CG2 THR D 4 4.215 -1.941 33.069 1.00 18.46 C HETATM 146 N VAL D 5 2.919 -1.617 37.106 1.00 18.34 N HETATM 147 CA VAL D 5 2.026 -2.261 38.068 1.00 30.18 CA HETATM 148 CB VAL D 5 0.606 -2.097 37.464 1.00 24.94 C HETATM 149 CG1 VAL D 5 -0.365 -2.694 38.487 1.00 25.15 C HETATM 150 CG2 VAL D 5 0.409 -2.752 36.092 1.00 51.54 C HETATM 151 C VAL D 5 2.351 -1.684 39.462 1.00 17.97 C HETATM 152 O VAL D 5 1.930 -0.512 39.675 1.00 16.57 O HETATM 153 N PRO D 6 2.779 -2.523 40.431 1.00 14.67 N HETATM 154 CA PRO D 6 3.448 -3.772 40.214 1.00 28.50 CA HETATM 155 CD PRO D 6 2.960 -1.981 41.845 1.00 11.81 CD HETATM 156 CG PRO D 6 3.661 -3.123 42.538 1.00 14.33 C HETATM 157 CB PRO D 6 4.477 -3.853 41.374 1.00 16.41 C HETATM 158 C PRO D 6 2.824 -5.063 40.178 1.00 17.90 C HETATM 159 O PRO D 6 1.619 -5.044 40.555 1.00 19.91 O HETATM 160 N SAR D 7 3.204 -5.962 39.238 1.00 22.17 N HETATM 161 CN SAR D 7 2.468 -7.269 39.213 1.00 19.13 C HETATM 162 CA SAR D 7 4.456 -5.952 38.527 1.00 21.30 CA HETATM 163 C SAR D 7 4.150 -5.649 36.984 1.00 11.71 C HETATM 164 O SAR D 7 2.968 -5.635 36.587 1.00 16.21 O HETATM 165 N MVA D 8 5.093 -6.040 36.207 1.00 13.91 N HETATM 166 CN MVA D 8 6.466 -6.181 36.644 1.00 23.58 C HETATM 167 CA MVA D 8 4.963 -5.987 34.719 1.00 14.98 CA HETATM 168 CB MVA D 8 4.478 -7.400 34.154 1.00 24.83 C HETATM 169 CG1 MVA D 8 5.289 -8.423 34.974 1.00 23.96 C HETATM 170 CG2 MVA D 8 3.021 -7.503 34.415 1.00 48.88 C HETATM 171 C MVA D 8 4.687 -4.698 34.125 1.00 20.36 C HETATM 172 O MVA D 8 3.578 -4.745 33.563 1.00 33.02 O HETATM 173 O HOH A 9 5.897 0.155 43.820 1.00 23.65 O HETATM 174 O HOH A 10 1.474 9.406 47.974 0.50 27.90 O HETATM 175 O HOH A 11 9.683 4.850 52.673 1.00 27.95 O HETATM 176 O HOH A 12 0.819 4.091 41.397 0.50 29.77 O HETATM 177 O HOH A 13 -2.919 4.887 28.852 1.00 37.65 O HETATM 178 O HOH A 14 14.240 0.000 37.468 0.50 48.69 O HETATM 179 O HOH A 15 7.387 1.557 47.793 1.00 42.24 O HETATM 180 O HOH A 16 4.090 6.272 30.042 0.50 31.96 O HETATM 181 O HOH A 17 -0.603 3.635 46.205 1.00 32.87 O HETATM 182 O HOH A 18 -0.304 5.066 30.617 1.00 28.85 O HETATM 183 O HOH A 19 -1.471 0.944 32.238 1.00 30.46 O HETATM 184 O HOH A 20 1.888 8.234 44.668 1.00 36.22 O HETATM 185 O HOH A 21 3.822 0.127 30.080 1.00 33.28 O HETATM 186 O HOH A 22 5.040 7.456 32.687 1.00 34.35 O HETATM 187 O HOH A 23 -2.379 2.803 41.538 0.50 29.23 O HETATM 188 O HOH A 24 9.790 0.371 45.162 1.00 40.01 O HETATM 189 O HOH A 25 -2.777 5.461 55.615 0.50 32.41 O HETATM 190 O HOH A 26 11.272 0.903 48.704 1.00 44.67 O HETATM 191 O HOH A 27 0.327 1.575 29.152 1.00 34.62 O HETATM 192 O HOH A 28 2.189 1.064 48.034 1.00 33.04 O HETATM 193 O HOH A 29 10.700 4.322 46.421 1.00 34.94 O HETATM 194 O HOH A 30 12.483 2.541 51.940 1.00 27.59 O HETATM 195 O HOH A 31 1.686 7.755 47.366 1.00 28.87 O HETATM 196 O HOH A 32 -1.981 6.736 49.358 0.50 26.71 O HETATM 197 O HOH A 33 3.290 1.341 46.458 1.00 34.57 O HETATM 198 O HOH A 34 -1.402 5.589 42.920 1.00 35.19 O HETATM 199 O HOH A 35 9.727 8.468 34.947 0.50 33.36 O HETATM 200 O HOH A 36 -4.027 4.715 47.822 0.50 41.04 O HETATM 201 O HOH A 37 0.180 7.288 30.539 0.50 25.97 O HETATM 202 O HOH A 38 10.602 3.363 54.759 0.50 44.69 O HETATM 203 O HOH A 39 1.767 2.652 43.721 0.50 37.12 O HETATM 204 O HOH A 40 -0.905 3.111 42.798 1.00 43.65 O HETATM 205 O HOH A 41 -1.581 4.387 40.307 1.00 58.98 O HETATM 206 O HOH A 42 10.223 2.285 50.782 1.00 33.46 O HETATM 207 O HOH A 43 -3.606 3.157 49.297 0.50 24.23 O HETATM 208 O HOH A 44 3.732 5.806 46.782 0.50 31.10 O HETATM 209 O HOH A 45 0.312 3.873 49.462 0.50 33.95 O HETATM 210 O HOH A 46 10.190 5.578 50.134 1.00 48.48 O HETATM 211 O HOH A 47 -1.211 -0.358 30.191 0.50 56.20 O HETATM 212 O HOH A 48 12.287 0.281 29.054 1.00 36.16 O HETATM 213 O HOH A 49 -3.676 4.124 54.751 0.50 20.30 O HETATM 214 O HOH A 50 3.624 3.056 47.642 0.50 43.59 O HETATM 215 O HOH A 51 12.110 1.922 46.989 0.50 26.00 O HETATM 216 O HOH A 52 -3.768 4.636 52.307 0.50 30.94 O HETATM 217 O HOH A 53 -1.774 1.234 49.069 0.50 24.09 O HETATM 218 O HOH A 54 0.451 3.569 29.373 0.50 31.98 O HETATM 219 O HOH A 55 12.135 3.322 44.718 0.50 32.45 O HETATM 220 O HOH A 56 10.812 4.698 51.713 0.50 35.88 O HETATM 221 O HOH A 57 11.875 3.010 42.894 0.50 28.10 O HETATM 222 O HOH A 58 -1.599 5.866 32.354 0.50 32.05 O HETATM 223 O HOH A 59 3.083 3.128 29.136 0.50 27.55 O HETATM 224 O HOH A 60 -4.437 5.691 45.779 0.50 36.65 O HETATM 225 O HOH A 61 1.039 1.807 31.621 0.50 54.52 O HETATM 226 O HOH A 62 -0.990 2.463 33.708 0.50 39.47 O HETATM 227 O HOH A 63 11.453 0.674 44.709 0.50 34.56 O HETATM 228 O HOH A 64 11.724 3.167 54.555 0.50 31.46 O HETATM 229 O HOH A 65 10.884 3.942 48.911 0.50 46.42 O HETATM 230 O HOH A 66 2.766 5.088 29.522 0.50 70.73 O HETATM 231 O HOH A 67 11.409 2.120 57.714 0.50 61.56 O HETATM 232 O HOH A 68 1.829 6.620 45.596 0.50 27.96 O HETATM 233 O HOH A 69 2.066 2.424 42.707 0.50 27.27 O HETATM 234 O HOH A 70 -0.570 2.578 48.658 0.50 43.43 O HETATM 235 O HOH A 71 -0.411 1.547 30.685 0.50 37.56 O HETATM 236 O HOH A 72 -1.711 3.729 56.521 0.50 51.35 O HETATM 237 O HOH A 73 0.141 3.523 42.945 0.50 33.47 O HETATM 238 O HOH A 74 3.228 5.561 44.742 0.50 27.34 O HETATM 239 O HOH A 75 -1.311 1.698 41.969 0.50 39.20 O HETATM 240 O HOH A 76 -1.883 6.643 44.916 0.50 37.54 O HETATM 241 O HOH A 77 -0.263 -0.280 28.768 0.50 27.45 O HETATM 242 O HOH A 78 -1.116 3.419 32.284 0.50 34.24 O HETATM 243 O HOH A 79 0.652 6.146 29.720 0.50 20.28 O HETATM 244 O HOH A 80 0.851 4.882 43.740 0.50 35.68 O HETATM 245 O HOH A 81 2.906 1.662 49.718 0.50 65.94 O HETATM 246 O HOH A 82 1.018 4.121 52.418 0.50 75.52 O HETATM 247 O HOH A 83 -1.505 -0.339 43.852 0.50 48.05 O HETATM 248 O HOH A 84 -3.368 6.643 30.836 0.50 45.95 O HETATM 249 O HOH A 85 -0.561 7.507 49.730 0.50 38.43 O HETATM 250 8H7 HOH A 86 5.762 9.891 25.263 1.00 36.13 H HETATM 251 9H7 HOH A 87 0.482 0.941 41.870 1.00 21.92 H HETATM 252 0H8 HOH A 88 8.290 -0.144 45.281 1.00 37.28 H HETATM 253 1H8 HOH A 89 0.322 3.805 32.274 1.00 27.58 H HETATM 254 2H8 HOH A 90 1.810 0.529 44.468 1.00 22.38 H HETATM 255 3H8 HOH A 91 -2.720 4.953 30.302 1.00 34.95 H HETATM 256 4H8 HOH A 92 3.233 1.516 29.419 0.50 53.46 H HETATM 257 O HOH C 9 13.494 5.029 25.087 1.00 23.65 O HETATM 258 O HOH C 10 7.694 -3.427 29.241 0.50 27.90 O HETATM 259 O HOH C 11 7.535 5.961 33.940 1.00 27.95 O HETATM 260 O HOH C 12 12.625 -1.336 22.664 0.50 29.77 O HETATM 261 O HOH C 13 13.804 -4.971 10.118 1.00 37.65 O HETATM 262 O HOH C 14 9.457 12.332 18.735 0.50 48.69 O HETATM 263 O HOH C 15 11.535 5.619 29.060 1.00 42.24 O HETATM 264 O HOH C 16 9.100 0.406 11.308 0.50 31.96 O HETATM 265 O HOH C 17 13.731 -2.340 27.472 1.00 32.87 O HETATM 266 O HOH C 18 12.342 -2.796 11.883 1.00 28.85 O HETATM 267 O HOH C 19 16.495 -1.746 13.504 1.00 30.46 O HETATM 268 O HOH C 20 8.502 -2.482 25.935 1.00 36.22 O HETATM 269 O HOH C 21 14.556 3.246 11.346 1.00 33.28 O HETATM 270 O HOH C 22 7.600 0.637 13.953 1.00 34.35 O HETATM 271 O HOH C 23 15.339 -3.462 22.805 0.50 29.23 O HETATM 272 O HOH C 24 11.361 8.293 26.429 1.00 40.01 O HETATM 273 O HOH C 25 13.236 -5.136 36.882 0.50 32.41 O HETATM 274 O HOH C 26 10.159 9.310 29.971 1.00 44.67 O HETATM 275 O HOH C 27 15.050 -0.504 10.418 1.00 34.62 O HETATM 276 O HOH C 28 14.561 1.364 29.301 1.00 33.04 O HETATM 277 O HOH C 29 7.484 7.106 27.688 1.00 34.94 O HETATM 278 O HOH C 30 8.135 9.540 33.207 1.00 27.59 O HETATM 279 O HOH C 31 9.018 -2.417 28.633 1.00 28.87 O HETATM 280 O HOH C 32 11.734 -5.084 30.625 0.50 26.71 O HETATM 281 O HOH C 33 13.771 2.179 27.725 1.00 34.57 O HETATM 282 O HOH C 34 12.438 -4.009 24.187 1.00 35.19 O HETATM 283 O HOH C 35 4.380 4.190 16.213 0.50 33.36 O HETATM 284 O HOH C 36 14.507 -5.845 29.089 0.50 41.04 O HETATM 285 O HOH C 37 10.175 -3.488 11.805 0.50 25.97 O HETATM 286 O HOH C 38 8.364 7.500 36.026 0.50 44.69 O HETATM 287 O HOH C 39 13.397 0.204 24.988 0.50 37.12 O HETATM 288 O HOH C 40 14.335 -2.339 24.065 1.00 43.65 O HETATM 289 O HOH C 41 13.568 -3.563 21.574 1.00 58.98 O HETATM 290 O HOH C 42 9.487 7.711 32.049 1.00 33.46 O HETATM 291 O HOH C 43 15.646 -4.701 30.564 0.50 24.23 O HETATM 292 O HOH C 44 9.683 0.329 28.049 0.50 31.10 O HETATM 293 O HOH C 45 13.067 -1.666 30.729 0.50 33.95 O HETATM 294 O HOH C 46 6.651 6.036 31.401 1.00 48.48 O HETATM 295 O HOH C 47 17.493 -0.870 11.457 0.50 56.20 O HETATM 296 O HOH C 48 10.190 10.500 10.320 1.00 36.16 O HETATM 297 O HOH C 49 14.844 -5.246 36.018 0.50 20.30 O HETATM 298 O HOH C 50 12.118 1.610 28.909 0.50 43.59 O HETATM 299 O HOH C 51 8.857 9.527 28.256 0.50 26.00 O HETATM 300 O HOH C 52 14.446 -5.581 33.574 0.50 30.94 O HETATM 301 O HOH C 53 16.395 -2.153 30.336 0.50 24.09 O HETATM 302 O HOH C 54 13.261 -1.394 10.639 0.50 31.98 O HETATM 303 O HOH C 55 7.633 8.848 25.985 0.50 32.45 O HETATM 304 O HOH C 56 7.102 7.014 32.980 0.50 35.88 O HETATM 305 O HOH C 57 8.033 8.779 24.161 0.50 28.10 O HETATM 306 O HOH C 58 12.296 -4.318 13.620 0.50 32.05 O HETATM 307 O HOH C 59 12.327 1.106 10.402 0.50 27.55 O HETATM 308 O HOH C 60 13.867 -6.688 27.046 0.50 36.65 O HETATM 309 O HOH C 61 14.493 -0.004 12.887 0.50 54.52 O HETATM 310 O HOH C 62 14.939 -2.089 14.974 0.50 39.47 O HETATM 311 O HOH C 63 10.267 9.582 25.976 0.50 34.56 O HETATM 312 O HOH C 64 7.972 8.570 35.822 0.50 31.46 O HETATM 313 O HOH C 65 7.721 7.455 30.178 0.50 46.42 O HETATM 314 O HOH C 66 10.788 -0.149 10.788 0.50 70.73 O HETATM 315 O HOH C 67 9.036 8.821 38.981 0.50 61.56 O HETATM 316 O HOH C 68 9.929 -1.726 26.863 0.50 27.96 O HETATM 317 O HOH C 69 13.445 0.577 23.974 0.50 27.27 O HETATM 318 O HOH C 70 14.629 -1.783 29.925 0.50 43.43 O HETATM 319 O HOH C 71 15.443 -1.129 11.951 0.50 37.56 O HETATM 320 O HOH C 72 14.203 -3.346 37.788 0.50 51.35 O HETATM 321 O HOH C 73 13.455 -1.639 24.212 0.50 33.47 O HETATM 322 O HOH C 74 10.147 0.015 26.009 0.50 27.34 O HETATM 323 O HOH C 75 15.762 -1.984 23.236 0.50 39.20 O HETATM 324 O HOH C 76 11.766 -4.952 26.183 0.50 37.54 O HETATM 325 O HOH C 77 16.951 -0.088 10.034 0.50 27.45 O HETATM 326 O HOH C 78 14.174 -2.676 13.550 0.50 34.24 O HETATM 327 O HOH C 79 10.928 -2.508 10.986 0.50 20.28 O HETATM 328 O HOH C 80 11.924 -1.704 25.007 0.50 35.68 O HETATM 329 O HOH C 81 13.685 1.686 30.985 0.50 65.94 O HETATM 330 O HOH C 82 12.499 -1.179 33.685 0.50 75.52 O HETATM 331 O HOH C 83 17.623 -1.134 25.119 0.50 48.05 O HETATM 332 O HOH C 84 12.508 -6.238 12.102 0.50 45.95 O HETATM 333 O HOH C 85 10.356 -4.239 30.997 0.50 38.43 O HETATM 334 8H7 HOH C 86 5.130 0.044 6.529 1.00 36.13 H HETATM 335 9H7 HOH C 87 15.521 -0.053 23.137 1.00 21.92 H HETATM 336 0H8 HOH C 88 12.557 7.251 26.548 1.00 37.28 H HETATM 337 1H8 HOH C 89 13.121 -1.624 13.540 1.00 27.58 H HETATM 338 2H8 HOH C 90 15.214 1.303 25.735 1.00 22.38 H HETATM 339 3H8 HOH C 91 13.648 -4.832 11.568 1.00 34.95 H HETATM 340 4H8 HOH C 92 13.648 2.042 10.685 0.50 53.46 H END