REMARK 1 CREATED WITH OPENMM 7.0, 2016-01-19 CRYST1 25.000 25.000 25.000 90.00 90.00 90.00 P 1 1 ATOM 1 O HOH A 1 16.542 1.137 1.217 1.00 0.00 O ATOM 2 H1 HOH A 1 16.607 1.900 1.792 1.00 0.00 H ATOM 3 H2 HOH A 1 16.936 0.425 1.720 1.00 0.00 H ATOM 4 O HOH A 2 6.907 4.515 15.868 1.00 0.00 O ATOM 5 H1 HOH A 2 6.691 3.769 16.427 1.00 0.00 H ATOM 6 H2 HOH A 2 6.065 4.807 15.519 1.00 0.00 H ATOM 7 O HOH A 3 8.652 13.829 9.240 1.00 0.00 O ATOM 8 H1 HOH A 3 8.434 13.094 8.666 1.00 0.00 H ATOM 9 H2 HOH A 3 8.656 14.592 8.662 1.00 0.00 H ATOM 10 O HOH A 4 19.157 6.153 8.990 1.00 0.00 O ATOM 11 H1 HOH A 4 18.634 6.743 9.533 1.00 0.00 H ATOM 12 H2 HOH A 4 20.057 6.463 9.096 1.00 0.00 H ATOM 13 O HOH A 5 24.317 24.461 24.534 1.00 0.00 O ATOM 14 H1 HOH A 5 23.772 23.674 24.536 1.00 0.00 H ATOM 15 H2 HOH A 5 25.199 24.142 24.722 1.00 0.00 H ATOM 16 O HOH A 6 18.268 19.436 21.092 1.00 0.00 O ATOM 17 H1 HOH A 6 18.220 18.481 21.120 1.00 0.00 H ATOM 18 H2 HOH A 6 18.949 19.623 20.446 1.00 0.00 H ATOM 19 O HOH A 7 2.535 5.320 2.969 1.00 0.00 O ATOM 20 H1 HOH A 7 1.639 5.143 2.681 1.00 0.00 H ATOM 21 H2 HOH A 7 3.028 5.439 2.157 1.00 0.00 H ATOM 22 Na NA A 8 13.489 0.884 20.527 1.00 0.00 Na ATOM 23 Du1 NA A 8 12.432 1.228 20.412 1.00 0.00 H ATOM 24 Du2 NA A 8 13.325 24.777 19.714 1.00 0.00 H ATOM 25 O HOH A 9 6.350 6.106 21.790 1.00 0.00 O ATOM 26 H1 HOH A 9 5.794 5.585 22.369 1.00 0.00 H ATOM 27 H2 HOH A 9 5.764 6.396 21.091 1.00 0.00 H ATOM 28 O HOH A 10 21.653 21.115 5.212 1.00 0.00 O ATOM 29 H1 HOH A 10 21.186 20.715 5.945 1.00 0.00 H ATOM 30 H2 HOH A 10 21.910 20.377 4.659 1.00 0.00 H ATOM 31 O HOH A 11 23.718 23.874 18.083 1.00 0.00 O ATOM 32 H1 HOH A 11 23.266 24.401 18.742 1.00 0.00 H ATOM 33 H2 HOH A 11 24.234 23.247 18.589 1.00 0.00 H ATOM 34 O HOH A 12 4.898 2.644 5.453 1.00 0.00 O ATOM 35 H1 HOH A 12 5.008 2.042 6.189 1.00 0.00 H ATOM 36 H2 HOH A 12 5.625 2.438 4.864 1.00 0.00 H ATOM 37 O HOH A 13 9.449 21.972 18.750 1.00 0.00 O ATOM 38 H1 HOH A 13 9.820 21.912 17.870 1.00 0.00 H ATOM 39 H2 HOH A 13 10.117 22.428 19.262 1.00 0.00 H ATOM 40 O HOH A 14 18.178 1.412 21.479 1.00 0.00 O ATOM 41 H1 HOH A 14 18.422 1.209 22.382 1.00 0.00 H ATOM 42 H2 HOH A 14 17.308 1.806 21.549 1.00 0.00 H ATOM 43 O HOH A 15 5.843 8.843 13.144 1.00 0.00 O ATOM 44 H1 HOH A 15 4.987 8.874 12.717 1.00 0.00 H ATOM 45 H2 HOH A 15 6.397 8.354 12.535 1.00 0.00 H ATOM 46 O HOH A 16 23.218 3.631 19.105 1.00 0.00 O ATOM 47 H1 HOH A 16 23.705 4.352 19.503 1.00 0.00 H ATOM 48 H2 HOH A 16 22.303 3.813 19.318 1.00 0.00 H ATOM 49 O HOH A 17 14.989 8.268 16.236 1.00 0.00 O ATOM 50 H1 HOH A 17 15.844 8.693 16.307 1.00 0.00 H ATOM 51 H2 HOH A 17 15.062 7.487 16.785 1.00 0.00 H ATOM 52 O HOH A 18 5.471 1.857 23.219 1.00 0.00 O ATOM 53 H1 HOH A 18 4.771 1.685 22.590 1.00 0.00 H ATOM 54 H2 HOH A 18 5.273 1.285 23.961 1.00 0.00 H ATOM 55 O HOH A 19 0.867 2.163 13.171 1.00 0.00 O ATOM 56 H1 HOH A 19 0.651 1.320 12.772 1.00 0.00 H ATOM 57 H2 HOH A 19 0.489 2.813 12.579 1.00 0.00 H ATOM 58 O HOH A 20 4.450 9.494 0.839 1.00 0.00 O ATOM 59 H1 HOH A 20 4.784 10.360 0.607 1.00 0.00 H ATOM 60 H2 HOH A 20 5.194 8.907 0.705 1.00 0.00 H ATOM 61 O HOH A 21 24.274 10.537 20.956 1.00 0.00 O ATOM 62 H1 HOH A 21 24.529 11.431 20.729 1.00 0.00 H ATOM 63 H2 HOH A 21 24.580 10.006 20.222 1.00 0.00 H ATOM 64 O HOH A 22 14.091 20.337 17.712 1.00 0.00 O ATOM 65 H1 HOH A 22 13.907 19.628 17.097 1.00 0.00 H ATOM 66 H2 HOH A 22 14.831 20.805 17.324 1.00 0.00 H ATOM 67 O HOH A 23 16.823 14.199 4.220 1.00 0.00 O ATOM 68 H1 HOH A 23 15.931 14.465 3.999 1.00 0.00 H ATOM 69 H2 HOH A 23 17.265 14.117 3.374 1.00 0.00 H ATOM 70 O HOH A 24 23.455 14.646 5.719 1.00 0.00 O ATOM 71 H1 HOH A 24 23.227 15.543 5.963 1.00 0.00 H ATOM 72 H2 HOH A 24 24.230 14.445 6.243 1.00 0.00 H ATOM 73 O HOH A 25 2.579 13.244 21.495 1.00 0.00 O ATOM 74 H1 HOH A 25 2.745 14.045 20.998 1.00 0.00 H ATOM 75 H2 HOH A 25 2.835 12.537 20.903 1.00 0.00 H ATOM 76 O HOH A 26 2.879 1.447 0.628 1.00 0.00 O ATOM 77 H1 HOH A 26 2.256 1.360 1.350 1.00 0.00 H ATOM 78 H2 HOH A 26 2.461 2.061 0.024 1.00 0.00 H ATOM 79 O HOH A 27 20.880 18.983 15.991 1.00 0.00 O ATOM 80 H1 HOH A 27 21.491 19.541 15.509 1.00 0.00 H ATOM 81 H2 HOH A 27 20.370 19.592 16.525 1.00 0.00 H ATOM 82 Cl CL A 28 11.897 21.937 4.870 1.00 0.00 Cl ATOM 83 Du1 CL A 28 12.061 20.957 4.738 1.00 0.00 H ATOM 84 Du2 CL A 28 11.758 21.988 6.054 1.00 0.00 H ATOM 85 O HOH A 29 20.235 1.274 19.546 1.00 0.00 O ATOM 86 H1 HOH A 29 19.446 0.999 20.014 1.00 0.00 H ATOM 87 H2 HOH A 29 20.887 0.607 19.762 1.00 0.00 H ATOM 88 Na NA A 30 21.559 15.234 24.762 1.00 0.00 Na ATOM 89 Du1 NA A 30 21.898 15.767 24.377 1.00 0.00 H ATOM 90 Du2 NA A 30 21.992 15.553 0.489 1.00 0.00 H ATOM 91 O HOH A 31 3.307 1.493 21.553 1.00 0.00 O ATOM 92 H1 HOH A 31 2.846 2.290 21.817 1.00 0.00 H ATOM 93 H2 HOH A 31 2.643 0.805 21.601 1.00 0.00 H ATOM 94 O HOH A 32 20.101 4.752 0.023 1.00 0.00 O ATOM 95 H1 HOH A 32 19.814 5.418 0.647 1.00 0.00 H ATOM 96 H2 HOH A 32 20.074 3.932 0.517 1.00 0.00 H ATOM 97 O HOH A 33 9.926 16.029 15.104 1.00 0.00 O ATOM 98 H1 HOH A 33 9.018 15.892 14.835 1.00 0.00 H ATOM 99 H2 HOH A 33 10.096 16.952 14.913 1.00 0.00 H ATOM 100 O HOH A 34 8.614 7.942 2.562 1.00 0.00 O ATOM 101 H1 HOH A 34 8.374 8.602 3.212 1.00 0.00 H ATOM 102 H2 HOH A 34 9.433 8.264 2.183 1.00 0.00 H ATOM 103 O HOH A 35 17.178 16.169 24.809 1.00 0.00 O ATOM 104 H1 HOH A 35 16.285 16.382 24.538 1.00 0.00 H ATOM 105 H2 HOH A 35 17.736 16.662 24.208 1.00 0.00 H ATOM 106 O HOH A 36 23.957 8.282 0.428 1.00 0.00 O ATOM 107 H1 HOH A 36 24.114 9.041 -0.134 1.00 0.00 H ATOM 108 H2 HOH A 36 24.830 7.932 0.606 1.00 0.00 H ATOM 109 O HOH A 37 3.086 17.038 10.752 1.00 0.00 O ATOM 110 H1 HOH A 37 3.472 17.630 10.106 1.00 0.00 H ATOM 111 H2 HOH A 37 3.183 16.167 10.366 1.00 0.00 H ATOM 112 O HOH A 38 2.088 7.074 20.261 1.00 0.00 O ATOM 113 H1 HOH A 38 1.351 6.558 20.588 1.00 0.00 H ATOM 114 H2 HOH A 38 1.692 7.702 19.656 1.00 0.00 H ATOM 115 O HOH A 39 17.348 1.678 18.573 1.00 0.00 O ATOM 116 H1 HOH A 39 17.602 0.869 19.016 1.00 0.00 H ATOM 117 H2 HOH A 39 16.889 2.185 19.243 1.00 0.00 H ATOM 118 O HOH A 40 24.359 17.460 5.934 1.00 0.00 O ATOM 119 H1 HOH A 40 25.184 17.900 5.729 1.00 0.00 H ATOM 120 H2 HOH A 40 24.250 17.583 6.877 1.00 0.00 H ATOM 121 O HOH A 41 15.268 10.695 17.710 1.00 0.00 O ATOM 122 H1 HOH A 41 15.392 10.128 18.471 1.00 0.00 H ATOM 123 H2 HOH A 41 16.072 10.592 17.200 1.00 0.00 H ATOM 124 O HOH A 42 21.932 18.484 1.095 1.00 0.00 O ATOM 125 H1 HOH A 42 21.125 17.970 1.106 1.00 0.00 H ATOM 126 H2 HOH A 42 22.127 18.606 0.166 1.00 0.00 H ATOM 127 O HOH A 43 19.028 6.541 1.580 1.00 0.00 O ATOM 128 H1 HOH A 43 18.200 6.476 2.054 1.00 0.00 H ATOM 129 H2 HOH A 43 19.490 7.266 2.002 1.00 0.00 H ATOM 130 O HOH A 44 0.203 17.258 0.589 1.00 0.00 O ATOM 131 H1 HOH A 44 1.159 17.205 0.603 1.00 0.00 H ATOM 132 H2 HOH A 44 -0.058 17.125 1.500 1.00 0.00 H ATOM 133 Na NA A 45 23.526 3.001 24.388 1.00 0.00 Na ATOM 134 Du1 NA A 45 22.778 2.610 23.938 1.00 0.00 H ATOM 135 Du2 NA A 45 23.185 3.815 24.760 1.00 0.00 H ATOM 136 O HOH A 46 23.852 21.081 21.791 1.00 0.00 O ATOM 137 H1 HOH A 46 24.045 20.654 22.626 1.00 0.00 H ATOM 138 H2 HOH A 46 23.272 21.807 22.021 1.00 0.00 H ATOM 139 Cl CL A 47 3.249 6.087 17.006 1.00 0.00 Cl ATOM 140 Du1 CL A 47 3.527 6.119 15.926 1.00 0.00 H ATOM 141 Du2 CL A 47 3.355 5.415 17.655 1.00 0.00 H ATOM 142 O HOH A 48 18.589 13.324 16.978 1.00 0.00 O ATOM 143 H1 HOH A 48 19.500 13.209 17.249 1.00 0.00 H ATOM 144 H2 HOH A 48 18.543 14.228 16.668 1.00 0.00 H ATOM 145 O HOH A 49 21.923 21.200 19.033 1.00 0.00 O ATOM 146 H1 HOH A 49 22.172 20.877 19.900 1.00 0.00 H ATOM 147 H2 HOH A 49 22.404 22.021 18.936 1.00 0.00 H ATOM 148 O HOH A 50 23.480 5.947 3.480 1.00 0.00 O ATOM 149 H1 HOH A 50 24.060 5.321 3.047 1.00 0.00 H ATOM 150 H2 HOH A 50 22.612 5.546 3.427 1.00 0.00 H ATOM 151 O HOH A 51 21.584 22.743 22.498 1.00 0.00 O ATOM 152 H1 HOH A 51 21.604 22.700 23.454 1.00 0.00 H ATOM 153 H2 HOH A 51 20.724 22.396 22.261 1.00 0.00 H ATOM 154 O HOH A 52 21.231 10.471 18.289 1.00 0.00 O ATOM 155 H1 HOH A 52 21.539 9.972 19.045 1.00 0.00 H ATOM 156 H2 HOH A 52 21.961 10.446 17.670 1.00 0.00 H ATOM 157 O HOH A 53 -0.273 15.543 19.214 1.00 0.00 O ATOM 158 H1 HOH A 53 0.066 15.987 19.991 1.00 0.00 H ATOM 159 H2 HOH A 53 0.322 14.805 19.080 1.00 0.00 H ATOM 160 O HOH A 54 15.290 22.820 3.398 1.00 0.00 O ATOM 161 H1 HOH A 54 14.543 23.273 3.007 1.00 0.00 H ATOM 162 H2 HOH A 54 14.903 22.243 4.056 1.00 0.00 H ATOM 163 O HOH A 55 16.302 18.399 6.136 1.00 0.00 O ATOM 164 H1 HOH A 55 16.847 17.644 5.916 1.00 0.00 H ATOM 165 H2 HOH A 55 15.428 18.162 5.828 1.00 0.00 H ATOM 166 O HOH A 56 19.788 18.065 23.323 1.00 0.00 O ATOM 167 H1 HOH A 56 19.706 18.924 22.909 1.00 0.00 H ATOM 168 H2 HOH A 56 20.037 17.478 22.609 1.00 0.00 H ATOM 169 O HOH A 57 16.914 16.800 21.055 1.00 0.00 O ATOM 170 H1 HOH A 57 16.076 16.338 21.031 1.00 0.00 H ATOM 171 H2 HOH A 57 17.460 16.340 20.418 1.00 0.00 H ATOM 172 O HOH A 58 5.678 23.718 23.605 1.00 0.00 O ATOM 173 H1 HOH A 58 6.353 24.072 23.026 1.00 0.00 H ATOM 174 H2 HOH A 58 5.000 23.395 23.012 1.00 0.00 H ATOM 175 O HOH A 59 0.026 15.303 15.192 1.00 0.00 O ATOM 176 H1 HOH A 59 -0.218 15.674 14.344 1.00 0.00 H ATOM 177 H2 HOH A 59 0.692 15.900 15.533 1.00 0.00 H ATOM 178 O HOH A 60 16.479 22.601 6.667 1.00 0.00 O ATOM 179 H1 HOH A 60 17.153 21.978 6.397 1.00 0.00 H ATOM 180 H2 HOH A 60 16.927 23.447 6.688 1.00 0.00 H ATOM 181 O HOH A 61 1.085 22.154 15.629 1.00 0.00 O ATOM 182 H1 HOH A 61 1.352 21.387 16.137 1.00 0.00 H ATOM 183 H2 HOH A 61 1.846 22.733 15.652 1.00 0.00 H ATOM 184 O HOH A 62 23.222 23.775 12.959 1.00 0.00 O ATOM 185 H1 HOH A 62 23.509 24.122 12.115 1.00 0.00 H ATOM 186 H2 HOH A 62 23.207 24.536 13.539 1.00 0.00 H ATOM 187 O HOH A 63 3.128 19.185 21.547 1.00 0.00 O ATOM 188 H1 HOH A 63 3.243 18.705 22.367 1.00 0.00 H ATOM 189 H2 HOH A 63 4.017 19.418 21.279 1.00 0.00 H ATOM 190 O HOH A 64 3.683 7.802 22.369 1.00 0.00 O ATOM 191 H1 HOH A 64 3.496 7.803 21.430 1.00 0.00 H ATOM 192 H2 HOH A 64 2.933 7.355 22.762 1.00 0.00 H ATOM 193 O HOH A 65 6.336 7.151 1.159 1.00 0.00 O ATOM 194 H1 HOH A 65 7.043 7.499 1.702 1.00 0.00 H ATOM 195 H2 HOH A 65 6.523 7.479 0.280 1.00 0.00 H ATOM 196 O HOH A 66 19.811 2.481 1.631 1.00 0.00 O ATOM 197 H1 HOH A 66 19.064 2.239 2.179 1.00 0.00 H ATOM 198 H2 HOH A 66 20.097 1.656 1.237 1.00 0.00 H ATOM 199 O HOH A 67 9.672 24.652 21.159 1.00 0.00 O ATOM 200 H1 HOH A 67 8.866 25.122 20.946 1.00 0.00 H ATOM 201 H2 HOH A 67 10.157 24.621 20.334 1.00 0.00 H ATOM 202 O HOH A 68 14.038 14.444 24.786 1.00 0.00 O ATOM 203 H1 HOH A 68 14.075 13.959 23.962 1.00 0.00 H ATOM 204 H2 HOH A 68 14.170 15.358 24.533 1.00 0.00 H ATOM 205 O HOH A 69 22.308 1.062 8.094 1.00 0.00 O ATOM 206 H1 HOH A 69 22.189 0.112 8.110 1.00 0.00 H ATOM 207 H2 HOH A 69 22.533 1.260 7.185 1.00 0.00 H ATOM 208 O HOH A 70 0.205 0.694 1.910 1.00 0.00 O ATOM 209 H1 HOH A 70 0.123 0.751 0.958 1.00 0.00 H ATOM 210 H2 HOH A 70 0.517 -0.197 2.070 1.00 0.00 H ATOM 211 O HOH A 71 22.703 21.035 15.497 1.00 0.00 O ATOM 212 H1 HOH A 71 23.271 21.032 14.726 1.00 0.00 H ATOM 213 H2 HOH A 71 23.233 21.440 16.183 1.00 0.00 H ATOM 214 O HOH A 72 17.164 2.902 10.771 1.00 0.00 O ATOM 215 H1 HOH A 72 16.922 3.212 9.898 1.00 0.00 H ATOM 216 H2 HOH A 72 17.511 3.677 11.213 1.00 0.00 H ATOM 217 O HOH A 73 15.561 4.017 1.854 1.00 0.00 O ATOM 218 H1 HOH A 73 15.754 4.754 2.434 1.00 0.00 H ATOM 219 H2 HOH A 73 14.720 3.681 2.164 1.00 0.00 H ATOM 220 O HOH A 74 22.579 13.957 21.590 1.00 0.00 O ATOM 221 H1 HOH A 74 23.050 14.608 21.071 1.00 0.00 H ATOM 222 H2 HOH A 74 23.169 13.758 22.318 1.00 0.00 H ATOM 223 O HOH A 75 0.015 21.867 19.481 1.00 0.00 O ATOM 224 H1 HOH A 75 0.494 21.340 18.842 1.00 0.00 H ATOM 225 H2 HOH A 75 -0.311 21.234 20.120 1.00 0.00 H ATOM 226 O HOH A 76 8.168 1.983 23.304 1.00 0.00 O ATOM 227 H1 HOH A 76 8.294 2.346 24.181 1.00 0.00 H ATOM 228 H2 HOH A 76 7.225 2.051 23.150 1.00 0.00 H ATOM 229 O HOH A 77 17.664 24.718 5.603 1.00 0.00 O ATOM 230 H1 HOH A 77 18.446 24.248 5.314 1.00 0.00 H ATOM 231 H2 HOH A 77 17.328 25.135 4.809 1.00 0.00 H ATOM 232 O HOH A 78 16.950 19.428 8.561 1.00 0.00 O ATOM 233 H1 HOH A 78 16.795 19.141 7.661 1.00 0.00 H ATOM 234 H2 HOH A 78 17.305 20.313 8.472 1.00 0.00 H ATOM 235 O HOH A 79 4.268 21.410 9.461 1.00 0.00 O ATOM 236 H1 HOH A 79 3.481 21.102 9.011 1.00 0.00 H ATOM 237 H2 HOH A 79 4.685 20.613 9.790 1.00 0.00 H ATOM 238 O HOH A 80 4.652 13.788 4.872 1.00 0.00 O ATOM 239 H1 HOH A 80 4.678 14.671 5.240 1.00 0.00 H ATOM 240 H2 HOH A 80 3.828 13.419 5.189 1.00 0.00 H ATOM 241 O HOH A 81 16.609 12.067 0.564 1.00 0.00 O ATOM 242 H1 HOH A 81 17.515 12.363 0.471 1.00 0.00 H ATOM 243 H2 HOH A 81 16.214 12.691 1.173 1.00 0.00 H ATOM 244 O HOH A 82 18.625 2.540 23.906 1.00 0.00 O ATOM 245 H1 HOH A 82 18.011 3.031 23.361 1.00 0.00 H ATOM 246 H2 HOH A 82 18.248 2.575 24.785 1.00 0.00 H ATOM 247 O HOH A 83 0.952 3.663 21.020 1.00 0.00 O ATOM 248 H1 HOH A 83 1.169 3.216 20.202 1.00 0.00 H ATOM 249 H2 HOH A 83 0.343 4.355 20.761 1.00 0.00 H ATOM 250 Cl CL A 84 20.970 16.672 21.063 1.00 0.00 Cl ATOM 251 Du1 CL A 84 21.574 17.062 20.685 1.00 0.00 H ATOM 252 Du2 CL A 84 21.702 15.551 21.052 1.00 0.00 H ATOM 253 Na NA A 85 16.715 20.497 19.084 1.00 0.00 Na ATOM 254 Du1 NA A 85 16.054 20.585 19.716 1.00 0.00 H ATOM 255 Du2 NA A 85 17.116 21.241 18.561 1.00 0.00 H ATOM 256 O HOH A 86 8.361 20.663 5.393 1.00 0.00 O ATOM 257 H1 HOH A 86 8.156 21.262 6.111 1.00 0.00 H ATOM 258 H2 HOH A 86 8.817 21.206 4.750 1.00 0.00 H ATOM 259 O HOH A 87 20.114 3.041 13.117 1.00 0.00 O ATOM 260 H1 HOH A 87 20.317 2.474 13.861 1.00 0.00 H ATOM 261 H2 HOH A 87 20.777 3.731 13.154 1.00 0.00 H ATOM 262 O HOH A 88 22.126 15.378 18.160 1.00 0.00 O ATOM 263 H1 HOH A 88 23.037 15.170 18.365 1.00 0.00 H ATOM 264 H2 HOH A 88 21.969 14.959 17.314 1.00 0.00 H ATOM 265 Cl CL A 89 21.503 3.988 3.108 1.00 0.00 Cl ATOM 266 Du1 CL A 89 21.498 3.477 3.917 1.00 0.00 H ATOM 267 Du2 CL A 89 21.102 3.411 2.458 1.00 0.00 H ATOM 268 O HOH A 90 12.435 23.340 9.847 1.00 0.00 O ATOM 269 H1 HOH A 90 12.068 22.861 10.590 1.00 0.00 H ATOM 270 H2 HOH A 90 11.673 23.706 9.398 1.00 0.00 H ATOM 271 O HOH A 91 0.532 18.614 8.430 1.00 0.00 O ATOM 272 H1 HOH A 91 1.236 19.197 8.147 1.00 0.00 H ATOM 273 H2 HOH A 91 0.764 18.374 9.327 1.00 0.00 H ATOM 274 O HOH A 92 7.302 4.595 19.249 1.00 0.00 O ATOM 275 H1 HOH A 92 7.323 5.448 18.814 1.00 0.00 H ATOM 276 H2 HOH A 92 6.469 4.586 19.720 1.00 0.00 H ATOM 277 Cl CL A 93 12.088 3.170 22.605 1.00 0.00 Cl ATOM 278 Du1 CL A 93 12.361 2.582 23.325 1.00 0.00 H ATOM 279 Du2 CL A 93 12.435 2.949 21.433 1.00 0.00 H ATOM 280 O HOH A 94 18.249 24.068 -0.195 1.00 0.00 O ATOM 281 H1 HOH A 94 17.918 24.311 0.669 1.00 0.00 H ATOM 282 H2 HOH A 94 18.934 24.711 -0.379 1.00 0.00 H ATOM 283 O HOH A 95 2.815 20.284 1.011 1.00 0.00 O ATOM 284 H1 HOH A 95 3.354 19.750 0.428 1.00 0.00 H ATOM 285 H2 HOH A 95 3.432 20.894 1.416 1.00 0.00 H ATOM 286 O HOH A 96 14.961 0.949 23.921 1.00 0.00 O ATOM 287 H1 HOH A 96 15.336 0.613 24.736 1.00 0.00 H ATOM 288 H2 HOH A 96 14.902 1.895 24.057 1.00 0.00 H ATOM 289 O HOH A 97 16.533 23.378 22.732 1.00 0.00 O ATOM 290 H1 HOH A 97 16.164 24.237 22.941 1.00 0.00 H ATOM 291 H2 HOH A 97 17.420 23.404 23.091 1.00 0.00 H ATOM 292 O HOH A 98 14.991 14.661 21.940 1.00 0.00 O ATOM 293 H1 HOH A 98 14.352 15.288 21.603 1.00 0.00 H ATOM 294 H2 HOH A 98 14.547 13.814 21.888 1.00 0.00 H ATOM 295 O HOH A 99 15.523 3.572 24.074 1.00 0.00 O ATOM 296 H1 HOH A 99 15.548 3.549 25.031 1.00 0.00 H ATOM 297 H2 HOH A 99 15.400 4.496 23.859 1.00 0.00 H ATOM 298 O HOH A 100 0.109 1.699 4.313 1.00 0.00 O ATOM 299 H1 HOH A 100 0.005 1.281 3.458 1.00 0.00 H ATOM 300 H2 HOH A 100 0.847 2.299 4.199 1.00 0.00 H ATOM 301 O HOH A 101 22.110 3.499 16.217 1.00 0.00 O ATOM 302 H1 HOH A 101 22.587 3.345 17.033 1.00 0.00 H ATOM 303 H2 HOH A 101 22.222 4.434 16.046 1.00 0.00 H ATOM 304 O HOH A 102 20.506 5.784 4.781 1.00 0.00 O ATOM 305 H1 HOH A 102 20.127 5.038 5.246 1.00 0.00 H ATOM 306 H2 HOH A 102 20.906 5.402 4.000 1.00 0.00 H ATOM 307 O HOH A 103 20.664 13.646 1.664 1.00 0.00 O ATOM 308 H1 HOH A 103 21.251 13.802 0.924 1.00 0.00 H ATOM 309 H2 HOH A 103 21.242 13.618 2.427 1.00 0.00 H ATOM 310 O HOH A 104 24.838 10.889 16.592 1.00 0.00 O ATOM 311 H1 HOH A 104 24.131 10.915 15.947 1.00 0.00 H ATOM 312 H2 HOH A 104 25.580 10.512 16.119 1.00 0.00 H ATOM 313 O HOH A 105 14.547 9.658 5.387 1.00 0.00 O ATOM 314 H1 HOH A 105 14.852 9.638 4.480 1.00 0.00 H ATOM 315 H2 HOH A 105 14.839 10.506 5.720 1.00 0.00 H ATOM 316 O HOH A 106 6.551 20.788 18.409 1.00 0.00 O ATOM 317 H1 HOH A 106 7.505 20.807 18.490 1.00 0.00 H ATOM 318 H2 HOH A 106 6.333 19.857 18.364 1.00 0.00 H ATOM 319 O HOH A 107 18.273 3.626 16.809 1.00 0.00 O ATOM 320 H1 HOH A 107 19.061 3.096 16.687 1.00 0.00 H ATOM 321 H2 HOH A 107 17.846 3.247 17.577 1.00 0.00 H ATOM 322 O HOH A 108 3.190 24.092 16.285 1.00 0.00 O ATOM 323 H1 HOH A 108 4.102 23.908 16.511 1.00 0.00 H ATOM 324 H2 HOH A 108 2.878 24.661 16.989 1.00 0.00 H ATOM 325 O HOH A 109 1.148 2.489 23.814 1.00 0.00 O ATOM 326 H1 HOH A 109 0.216 2.532 24.027 1.00 0.00 H ATOM 327 H2 HOH A 109 1.178 2.536 22.858 1.00 0.00 H ATOM 328 O HOH A 110 19.284 22.909 4.455 1.00 0.00 O ATOM 329 H1 HOH A 110 20.194 22.757 4.200 1.00 0.00 H ATOM 330 H2 HOH A 110 18.993 22.071 4.815 1.00 0.00 H ATOM 331 O HOH A 111 21.554 7.132 9.630 1.00 0.00 O ATOM 332 H1 HOH A 111 22.390 6.857 9.254 1.00 0.00 H ATOM 333 H2 HOH A 111 21.702 8.036 9.908 1.00 0.00 H ATOM 334 O HOH A 112 21.337 7.895 14.139 1.00 0.00 O ATOM 335 H1 HOH A 112 20.786 7.162 14.414 1.00 0.00 H ATOM 336 H2 HOH A 112 20.953 8.658 14.570 1.00 0.00 H ATOM 337 O HOH A 113 1.000 13.228 17.626 1.00 0.00 O ATOM 338 H1 HOH A 113 1.862 12.829 17.738 1.00 0.00 H ATOM 339 H2 HOH A 113 0.507 12.593 17.106 1.00 0.00 H ATOM 340 O HOH A 114 20.663 4.862 22.189 1.00 0.00 O ATOM 341 H1 HOH A 114 20.783 5.796 22.014 1.00 0.00 H ATOM 342 H2 HOH A 114 20.541 4.810 23.137 1.00 0.00 H ATOM 343 O HOH A 115 24.396 21.318 13.641 1.00 0.00 O ATOM 344 H1 HOH A 115 23.847 22.040 13.334 1.00 0.00 H ATOM 345 H2 HOH A 115 25.226 21.731 13.878 1.00 0.00 H ATOM 346 O HOH A 116 1.615 8.142 7.378 1.00 0.00 O ATOM 347 H1 HOH A 116 0.725 8.061 7.723 1.00 0.00 H ATOM 348 H2 HOH A 116 1.524 7.977 6.440 1.00 0.00 H ATOM 349 O HOH A 117 21.286 2.227 23.136 1.00 0.00 O ATOM 350 H1 HOH A 117 20.436 2.219 23.574 1.00 0.00 H ATOM 351 H2 HOH A 117 21.191 2.875 22.438 1.00 0.00 H ATOM 352 O HOH A 118 2.255 17.625 19.172 1.00 0.00 O ATOM 353 H1 HOH A 118 2.663 16.761 19.100 1.00 0.00 H ATOM 354 H2 HOH A 118 2.818 18.105 19.780 1.00 0.00 H ATOM 355 O HOH A 119 2.305 3.028 4.283 1.00 0.00 O ATOM 356 H1 HOH A 119 2.502 3.846 3.825 1.00 0.00 H ATOM 357 H2 HOH A 119 3.125 2.793 4.717 1.00 0.00 H ATOM 358 O HOH A 120 7.177 23.302 21.393 1.00 0.00 O ATOM 359 H1 HOH A 120 8.104 23.350 21.156 1.00 0.00 H ATOM 360 H2 HOH A 120 6.747 23.924 20.806 1.00 0.00 H ATOM 361 O HOH A 121 1.201 24.618 20.794 1.00 0.00 O ATOM 362 H1 HOH A 121 0.435 24.859 21.315 1.00 0.00 H ATOM 363 H2 HOH A 121 1.035 23.714 20.527 1.00 0.00 H ATOM 364 O HOH A 122 16.863 12.464 21.623 1.00 0.00 O ATOM 365 H1 HOH A 122 17.748 12.638 21.946 1.00 0.00 H ATOM 366 H2 HOH A 122 16.581 13.294 21.239 1.00 0.00 H ATOM 367 O HOH A 123 15.775 2.750 20.466 1.00 0.00 O ATOM 368 H1 HOH A 123 15.258 2.677 19.664 1.00 0.00 H ATOM 369 H2 HOH A 123 15.126 2.781 21.168 1.00 0.00 H ATOM 370 O HOH A 124 0.902 22.717 2.882 1.00 0.00 O ATOM 371 H1 HOH A 124 1.620 23.343 2.977 1.00 0.00 H ATOM 372 H2 HOH A 124 1.277 21.998 2.374 1.00 0.00 H ATOM 373 O HOH A 125 18.851 0.084 8.271 1.00 0.00 O ATOM 374 H1 HOH A 125 18.239 0.151 7.538 1.00 0.00 H ATOM 375 H2 HOH A 125 19.390 0.872 8.206 1.00 0.00 H ATOM 376 O HOH A 126 14.611 14.913 2.550 1.00 0.00 O ATOM 377 H1 HOH A 126 14.104 14.573 1.813 1.00 0.00 H ATOM 378 H2 HOH A 126 15.257 15.495 2.149 1.00 0.00 H ATOM 379 O HOH A 127 7.846 13.807 1.855 1.00 0.00 O ATOM 380 H1 HOH A 127 8.677 13.368 2.036 1.00 0.00 H ATOM 381 H2 HOH A 127 7.966 14.696 2.190 1.00 0.00 H ATOM 382 O HOH A 128 0.435 5.672 17.177 1.00 0.00 O ATOM 383 H1 HOH A 128 0.497 5.574 18.127 1.00 0.00 H ATOM 384 H2 HOH A 128 1.298 5.992 16.912 1.00 0.00 H ATOM 385 O HOH A 129 23.646 0.813 22.201 1.00 0.00 O ATOM 386 H1 HOH A 129 23.985 0.625 23.077 1.00 0.00 H ATOM 387 H2 HOH A 129 22.790 1.212 22.356 1.00 0.00 H ATOM 388 O HOH A 130 17.809 4.206 13.771 1.00 0.00 O ATOM 389 H1 HOH A 130 18.747 4.018 13.772 1.00 0.00 H ATOM 390 H2 HOH A 130 17.432 3.544 13.191 1.00 0.00 H ATOM 391 O HOH A 131 18.516 13.886 23.365 1.00 0.00 O ATOM 392 H1 HOH A 131 19.015 14.689 23.214 1.00 0.00 H ATOM 393 H2 HOH A 131 17.653 14.190 23.648 1.00 0.00 H ATOM 394 O HOH A 132 1.574 21.826 22.527 1.00 0.00 O ATOM 395 H1 HOH A 132 0.708 21.503 22.278 1.00 0.00 H ATOM 396 H2 HOH A 132 2.156 21.079 22.392 1.00 0.00 H ATOM 397 O HOH A 133 1.223 3.499 7.466 1.00 0.00 O ATOM 398 H1 HOH A 133 0.915 3.086 6.659 1.00 0.00 H ATOM 399 H2 HOH A 133 1.448 4.393 7.207 1.00 0.00 H ATOM 400 O HOH A 134 5.470 1.359 1.635 1.00 0.00 O ATOM 401 H1 HOH A 134 4.530 1.437 1.471 1.00 0.00 H ATOM 402 H2 HOH A 134 5.610 1.832 2.455 1.00 0.00 H ATOM 403 O HOH A 135 5.430 17.353 12.920 1.00 0.00 O ATOM 404 H1 HOH A 135 4.482 17.428 12.811 1.00 0.00 H ATOM 405 H2 HOH A 135 5.559 17.291 13.866 1.00 0.00 H ATOM 406 O HOH A 136 18.527 24.277 15.633 1.00 0.00 O ATOM 407 H1 HOH A 136 17.757 24.799 15.860 1.00 0.00 H ATOM 408 H2 HOH A 136 19.270 24.814 15.907 1.00 0.00 H ATOM 409 O HOH A 137 8.284 24.511 5.090 1.00 0.00 O ATOM 410 H1 HOH A 137 8.738 23.761 4.707 1.00 0.00 H ATOM 411 H2 HOH A 137 8.029 25.047 4.339 1.00 0.00 H ATOM 412 O HOH A 138 3.687 23.202 22.123 1.00 0.00 O ATOM 413 H1 HOH A 138 2.772 23.015 22.335 1.00 0.00 H ATOM 414 H2 HOH A 138 3.817 22.814 21.257 1.00 0.00 H ATOM 415 O HOH A 139 24.501 24.446 15.594 1.00 0.00 O ATOM 416 H1 HOH A 139 24.055 24.430 16.441 1.00 0.00 H ATOM 417 H2 HOH A 139 24.838 23.557 15.484 1.00 0.00 H ATOM 418 O HOH A 140 23.072 5.622 24.828 1.00 0.00 O ATOM 419 H1 HOH A 140 22.142 5.460 24.669 1.00 0.00 H ATOM 420 H2 HOH A 140 23.120 6.555 25.038 1.00 0.00 H ATOM 421 O HOH A 141 4.303 7.990 3.378 1.00 0.00 O ATOM 422 H1 HOH A 141 4.725 7.213 3.010 1.00 0.00 H ATOM 423 H2 HOH A 141 4.088 8.529 2.617 1.00 0.00 H ATOM 424 O HOH A 142 18.857 16.383 18.763 1.00 0.00 O ATOM 425 H1 HOH A 142 19.420 16.228 19.522 1.00 0.00 H ATOM 426 H2 HOH A 142 19.453 16.702 18.085 1.00 0.00 H ATOM 427 O HOH A 143 5.400 23.093 12.148 1.00 0.00 O ATOM 428 H1 HOH A 143 4.723 22.894 11.502 1.00 0.00 H ATOM 429 H2 HOH A 143 6.213 22.787 11.745 1.00 0.00 H ATOM 430 O HOH A 144 8.567 4.352 13.842 1.00 0.00 O ATOM 431 H1 HOH A 144 8.870 5.257 13.911 1.00 0.00 H ATOM 432 H2 HOH A 144 7.979 4.238 14.588 1.00 0.00 H ATOM 433 O HOH A 145 18.929 21.883 22.274 1.00 0.00 O ATOM 434 H1 HOH A 145 18.298 22.526 21.951 1.00 0.00 H ATOM 435 H2 HOH A 145 18.720 21.080 21.796 1.00 0.00 H ATOM 436 O HOH A 146 5.504 22.772 16.824 1.00 0.00 O ATOM 437 H1 HOH A 146 6.190 23.427 16.953 1.00 0.00 H ATOM 438 H2 HOH A 146 5.790 22.020 17.343 1.00 0.00 H ATOM 439 O HOH A 147 1.970 23.809 24.978 1.00 0.00 O ATOM 440 H1 HOH A 147 2.655 24.460 24.833 1.00 0.00 H ATOM 441 H2 HOH A 147 2.264 23.038 24.493 1.00 0.00 H ATOM 442 O HOH A 148 18.418 6.840 22.927 1.00 0.00 O ATOM 443 H1 HOH A 148 17.684 7.045 23.506 1.00 0.00 H ATOM 444 H2 HOH A 148 18.041 6.275 22.252 1.00 0.00 H ATOM 445 O HOH A 149 23.036 17.362 23.673 1.00 0.00 O ATOM 446 H1 HOH A 149 22.848 17.561 22.756 1.00 0.00 H ATOM 447 H2 HOH A 149 23.979 17.200 23.694 1.00 0.00 H ATOM 448 O HOH A 150 20.929 10.924 0.687 1.00 0.00 O ATOM 449 H1 HOH A 150 21.704 11.484 0.732 1.00 0.00 H ATOM 450 H2 HOH A 150 20.208 11.526 0.500 1.00 0.00 H ATOM 451 O HOH A 151 20.475 1.288 16.782 1.00 0.00 O ATOM 452 H1 HOH A 151 21.285 1.777 16.638 1.00 0.00 H ATOM 453 H2 HOH A 151 20.284 1.409 17.712 1.00 0.00 H ATOM 454 O HOH A 152 21.064 7.530 24.245 1.00 0.00 O ATOM 455 H1 HOH A 152 20.182 7.164 24.176 1.00 0.00 H ATOM 456 H2 HOH A 152 20.930 8.478 24.259 1.00 0.00 H ATOM 457 O HOH A 153 5.325 18.261 18.824 1.00 0.00 O ATOM 458 H1 HOH A 153 6.143 17.901 18.481 1.00 0.00 H ATOM 459 H2 HOH A 153 4.694 18.142 18.114 1.00 0.00 H ATOM 460 O HOH A 154 22.162 24.399 20.341 1.00 0.00 O ATOM 461 H1 HOH A 154 22.787 24.679 21.010 1.00 0.00 H ATOM 462 H2 HOH A 154 21.693 23.668 20.743 1.00 0.00 H ATOM 463 O HOH A 155 5.370 23.815 8.496 1.00 0.00 O ATOM 464 H1 HOH A 155 4.911 23.247 9.115 1.00 0.00 H ATOM 465 H2 HOH A 155 4.722 24.475 8.250 1.00 0.00 H ATOM 466 O HOH A 156 3.879 16.092 6.496 1.00 0.00 O ATOM 467 H1 HOH A 156 4.261 16.961 6.373 1.00 0.00 H ATOM 468 H2 HOH A 156 3.952 15.928 7.436 1.00 0.00 H ATOM 469 O HOH A 157 24.221 20.601 10.985 1.00 0.00 O ATOM 470 H1 HOH A 157 24.329 20.169 11.833 1.00 0.00 H ATOM 471 H2 HOH A 157 23.649 21.346 11.167 1.00 0.00 H ATOM 472 O HOH A 158 5.868 21.142 4.665 1.00 0.00 O ATOM 473 H1 HOH A 158 5.734 22.077 4.506 1.00 0.00 H ATOM 474 H2 HOH A 158 6.753 21.085 5.025 1.00 0.00 H ATOM 475 O HOH A 159 20.237 22.113 14.383 1.00 0.00 O ATOM 476 H1 HOH A 159 21.084 21.821 14.720 1.00 0.00 H ATOM 477 H2 HOH A 159 19.745 22.373 15.162 1.00 0.00 H ATOM 478 O HOH A 160 0.966 20.875 5.374 1.00 0.00 O ATOM 479 H1 HOH A 160 0.240 21.294 5.836 1.00 0.00 H ATOM 480 H2 HOH A 160 1.251 21.527 4.733 1.00 0.00 H ATOM 481 O HOH A 161 17.868 22.248 9.018 1.00 0.00 O ATOM 482 H1 HOH A 161 16.961 22.377 8.739 1.00 0.00 H ATOM 483 H2 HOH A 161 18.252 23.125 8.997 1.00 0.00 H ATOM 484 O HOH A 162 3.194 1.098 8.848 1.00 0.00 O ATOM 485 H1 HOH A 162 2.451 1.698 8.910 1.00 0.00 H ATOM 486 H2 HOH A 162 3.354 0.819 9.749 1.00 0.00 H ATOM 487 O HOH A 163 17.918 18.454 16.979 1.00 0.00 O ATOM 488 H1 HOH A 163 18.683 19.027 16.945 1.00 0.00 H ATOM 489 H2 HOH A 163 18.083 17.877 17.725 1.00 0.00 H ATOM 490 O HOH A 164 9.047 8.341 9.231 1.00 0.00 O ATOM 491 H1 HOH A 164 8.901 9.273 9.069 1.00 0.00 H ATOM 492 H2 HOH A 164 8.245 7.916 8.925 1.00 0.00 H ATOM 493 O HOH A 165 3.598 25.313 11.362 1.00 0.00 O ATOM 494 H1 HOH A 165 4.410 25.083 11.815 1.00 0.00 H ATOM 495 H2 HOH A 165 2.999 24.594 11.564 1.00 0.00 H ATOM 496 O HOH A 166 7.763 0.296 9.028 1.00 0.00 O ATOM 497 H1 HOH A 166 6.852 0.195 9.303 1.00 0.00 H ATOM 498 H2 HOH A 166 7.752 1.048 8.436 1.00 0.00 H ATOM 499 O HOH A 167 11.009 23.823 15.821 1.00 0.00 O ATOM 500 H1 HOH A 167 10.058 23.878 15.914 1.00 0.00 H ATOM 501 H2 HOH A 167 11.225 24.489 15.168 1.00 0.00 H ATOM 502 O HOH A 168 5.924 2.209 8.216 1.00 0.00 O ATOM 503 H1 HOH A 168 6.017 3.102 8.549 1.00 0.00 H ATOM 504 H2 HOH A 168 5.035 1.954 8.459 1.00 0.00 H ATOM 505 O HOH A 169 2.399 2.774 11.030 1.00 0.00 O ATOM 506 H1 HOH A 169 3.283 3.034 10.773 1.00 0.00 H ATOM 507 H2 HOH A 169 2.527 2.000 11.578 1.00 0.00 H ATOM 508 O HOH A 170 7.568 4.998 4.855 1.00 0.00 O ATOM 509 H1 HOH A 170 8.299 5.601 4.723 1.00 0.00 H ATOM 510 H2 HOH A 170 7.847 4.436 5.578 1.00 0.00 H ATOM 511 Cl CL A 171 5.136 21.574 1.977 1.00 0.00 Cl ATOM 512 Du1 CL A 171 5.649 22.553 1.684 1.00 0.00 H ATOM 513 Du2 CL A 171 5.336 21.667 2.892 1.00 0.00 H ATOM 514 O HOH A 172 4.539 16.850 16.257 1.00 0.00 O ATOM 515 H1 HOH A 172 4.839 16.029 16.648 1.00 0.00 H ATOM 516 H2 HOH A 172 3.771 16.604 15.742 1.00 0.00 H ATOM 517 O HOH A 173 24.663 0.593 10.928 1.00 0.00 O ATOM 518 H1 HOH A 173 25.118 0.148 10.213 1.00 0.00 H ATOM 519 H2 HOH A 173 23.824 0.857 10.550 1.00 0.00 H ATOM 520 O HOH A 174 21.872 17.271 4.246 1.00 0.00 O ATOM 521 H1 HOH A 174 21.026 16.936 3.949 1.00 0.00 H ATOM 522 H2 HOH A 174 21.822 17.233 5.202 1.00 0.00 H ATOM 523 O HOH A 175 22.757 22.459 0.104 1.00 0.00 O ATOM 524 H1 HOH A 175 23.322 21.691 0.013 1.00 0.00 H ATOM 525 H2 HOH A 175 22.532 22.481 1.034 1.00 0.00 H ATOM 526 O HOH A 176 5.280 18.280 5.759 1.00 0.00 O ATOM 527 H1 HOH A 176 6.210 18.085 5.646 1.00 0.00 H ATOM 528 H2 HOH A 176 5.186 19.186 5.467 1.00 0.00 H ATOM 529 O HOH A 177 3.476 6.955 12.156 1.00 0.00 O ATOM 530 H1 HOH A 177 3.272 6.356 12.874 1.00 0.00 H ATOM 531 H2 HOH A 177 4.283 6.609 11.776 1.00 0.00 H ATOM 532 O HOH A 178 24.759 5.382 5.931 1.00 0.00 O ATOM 533 H1 HOH A 178 24.029 5.588 5.347 1.00 0.00 H ATOM 534 H2 HOH A 178 25.469 5.955 5.640 1.00 0.00 H ATOM 535 O HOH A 179 9.128 22.813 1.063 1.00 0.00 O ATOM 536 H1 HOH A 179 8.203 22.825 1.310 1.00 0.00 H ATOM 537 H2 HOH A 179 9.204 23.480 0.381 1.00 0.00 H ATOM 538 O HOH A 180 17.925 11.126 12.626 1.00 0.00 O ATOM 539 H1 HOH A 180 18.211 11.480 13.468 1.00 0.00 H ATOM 540 H2 HOH A 180 18.736 10.973 12.142 1.00 0.00 H ATOM 541 Cl CL A 181 15.559 5.887 13.983 1.00 0.00 Cl ATOM 542 Du1 CL A 181 15.635 6.814 13.757 1.00 0.00 H ATOM 543 Du2 CL A 181 16.396 5.506 13.719 1.00 0.00 H ATOM 544 O HOH A 182 18.267 20.636 5.697 1.00 0.00 O ATOM 545 H1 HOH A 182 18.981 20.410 6.293 1.00 0.00 H ATOM 546 H2 HOH A 182 17.832 19.803 5.516 1.00 0.00 H ATOM 547 O HOH A 183 18.403 18.847 10.706 1.00 0.00 O ATOM 548 H1 HOH A 183 18.484 17.912 10.893 1.00 0.00 H ATOM 549 H2 HOH A 183 17.624 18.915 10.155 1.00 0.00 H ATOM 550 O HOH A 184 16.044 0.308 15.871 1.00 0.00 O ATOM 551 H1 HOH A 184 15.157 0.023 15.649 1.00 0.00 H ATOM 552 H2 HOH A 184 16.000 1.264 15.853 1.00 0.00 H ATOM 553 O HOH A 185 7.756 16.259 2.621 1.00 0.00 O ATOM 554 H1 HOH A 185 8.217 17.018 2.266 1.00 0.00 H ATOM 555 H2 HOH A 185 6.914 16.255 2.165 1.00 0.00 H ATOM 556 O HOH A 186 21.550 22.502 10.835 1.00 0.00 O ATOM 557 H1 HOH A 186 20.861 22.906 11.363 1.00 0.00 H ATOM 558 H2 HOH A 186 21.180 21.665 10.556 1.00 0.00 H ATOM 559 O HOH A 187 15.205 21.651 0.104 1.00 0.00 O ATOM 560 H1 HOH A 187 14.895 22.186 0.835 1.00 0.00 H ATOM 561 H2 HOH A 187 14.415 21.451 -0.399 1.00 0.00 H ATOM 562 O HOH A 188 22.603 14.326 15.952 1.00 0.00 O ATOM 563 H1 HOH A 188 22.283 13.940 15.136 1.00 0.00 H ATOM 564 H2 HOH A 188 23.455 14.696 15.723 1.00 0.00 H ATOM 565 O HOH A 189 1.846 23.283 12.502 1.00 0.00 O ATOM 566 H1 HOH A 189 0.981 23.159 12.110 1.00 0.00 H ATOM 567 H2 HOH A 189 2.283 22.439 12.389 1.00 0.00 H ATOM 568 O HOH A 190 17.645 23.962 2.645 1.00 0.00 O ATOM 569 H1 HOH A 190 16.876 23.451 2.899 1.00 0.00 H ATOM 570 H2 HOH A 190 18.380 23.512 3.062 1.00 0.00 H ATOM 571 O HOH A 191 3.797 5.334 6.157 1.00 0.00 O ATOM 572 H1 HOH A 191 3.336 5.740 5.422 1.00 0.00 H ATOM 573 H2 HOH A 191 4.137 4.513 5.802 1.00 0.00 H ATOM 574 O HOH A 192 23.742 14.222 9.938 1.00 0.00 O ATOM 575 H1 HOH A 192 23.959 13.647 10.673 1.00 0.00 H ATOM 576 H2 HOH A 192 24.301 13.918 9.223 1.00 0.00 H ATOM 577 O HOH A 193 16.632 14.558 10.079 1.00 0.00 O ATOM 578 H1 HOH A 193 17.331 14.854 10.661 1.00 0.00 H ATOM 579 H2 HOH A 193 16.045 15.310 10.006 1.00 0.00 H ATOM 580 O HOH A 194 20.325 4.027 19.645 1.00 0.00 O ATOM 581 H1 HOH A 194 20.352 3.073 19.724 1.00 0.00 H ATOM 582 H2 HOH A 194 20.446 4.345 20.540 1.00 0.00 H ATOM 583 O HOH A 195 0.170 24.805 6.480 1.00 0.00 O ATOM 584 H1 HOH A 195 -0.095 23.935 6.182 1.00 0.00 H ATOM 585 H2 HOH A 195 0.179 25.338 5.685 1.00 0.00 H ATOM 586 O HOH A 196 20.008 20.665 9.901 1.00 0.00 O ATOM 587 H1 HOH A 196 19.548 20.002 10.415 1.00 0.00 H ATOM 588 H2 HOH A 196 19.321 21.089 9.387 1.00 0.00 H ATOM 589 O HOH A 197 6.406 15.929 9.856 1.00 0.00 O ATOM 590 H1 HOH A 197 6.396 14.990 10.041 1.00 0.00 H ATOM 591 H2 HOH A 197 6.839 16.001 9.005 1.00 0.00 H ATOM 592 O HOH A 198 0.611 1.859 15.728 1.00 0.00 O ATOM 593 H1 HOH A 198 0.954 1.992 14.845 1.00 0.00 H ATOM 594 H2 HOH A 198 0.211 0.990 15.702 1.00 0.00 H ATOM 595 O HOH A 199 2.167 14.316 11.799 1.00 0.00 O ATOM 596 H1 HOH A 199 2.331 13.492 12.257 1.00 0.00 H ATOM 597 H2 HOH A 199 1.271 14.551 12.041 1.00 0.00 H ATOM 598 Na NA A 200 21.711 23.423 8.338 1.00 0.00 Na ATOM 599 Du1 NA A 200 20.805 23.666 8.150 1.00 0.00 H ATOM 600 Du2 NA A 200 21.698 23.134 9.251 1.00 0.00 H ATOM 601 O HOH A 201 20.642 4.674 11.002 1.00 0.00 O ATOM 602 H1 HOH A 201 21.171 4.763 11.795 1.00 0.00 H ATOM 603 H2 HOH A 201 20.270 5.545 10.863 1.00 0.00 H ATOM 604 O HOH A 202 19.636 20.489 17.918 1.00 0.00 O ATOM 605 H1 HOH A 202 19.337 21.398 17.942 1.00 0.00 H ATOM 606 H2 HOH A 202 20.514 20.515 18.296 1.00 0.00 H ATOM 607 O HOH A 203 8.574 22.089 14.590 1.00 0.00 O ATOM 608 H1 HOH A 203 9.221 21.765 15.217 1.00 0.00 H ATOM 609 H2 HOH A 203 8.853 21.726 13.749 1.00 0.00 H ATOM 610 O HOH A 204 17.372 6.323 19.057 1.00 0.00 O ATOM 611 H1 HOH A 204 17.841 7.150 18.943 1.00 0.00 H ATOM 612 H2 HOH A 204 17.750 5.740 18.399 1.00 0.00 H ATOM 613 O HOH A 205 19.393 17.125 2.893 1.00 0.00 O ATOM 614 H1 HOH A 205 18.768 17.808 3.136 1.00 0.00 H ATOM 615 H2 HOH A 205 19.398 16.528 3.641 1.00 0.00 H ATOM 616 O HOH A 206 3.530 4.206 19.524 1.00 0.00 O ATOM 617 H1 HOH A 206 2.957 4.255 18.759 1.00 0.00 H ATOM 618 H2 HOH A 206 3.267 4.946 20.070 1.00 0.00 H ATOM 619 O HOH A 207 3.004 12.713 0.816 1.00 0.00 O ATOM 620 H1 HOH A 207 3.568 11.952 0.682 1.00 0.00 H ATOM 621 H2 HOH A 207 3.492 13.270 1.424 1.00 0.00 H ATOM 622 Na NA A 208 11.430 6.948 8.996 1.00 0.00 Na ATOM 623 Du1 NA A 208 11.692 5.773 8.945 1.00 0.00 H ATOM 624 Du2 NA A 208 10.735 7.213 9.210 1.00 0.00 H ATOM 625 O HOH A 209 1.916 5.816 23.246 1.00 0.00 O ATOM 626 H1 HOH A 209 1.854 5.517 24.153 1.00 0.00 H ATOM 627 H2 HOH A 209 1.950 5.011 22.729 1.00 0.00 H ATOM 628 O HOH A 210 16.987 0.211 10.803 1.00 0.00 O ATOM 629 H1 HOH A 210 16.763 1.141 10.784 1.00 0.00 H ATOM 630 H2 HOH A 210 17.623 0.103 10.096 1.00 0.00 H ATOM 631 O HOH A 211 8.900 14.995 11.723 1.00 0.00 O ATOM 632 H1 HOH A 211 8.856 14.679 10.820 1.00 0.00 H ATOM 633 H2 HOH A 211 9.494 14.386 12.162 1.00 0.00 H ATOM 634 O HOH A 212 2.103 10.605 22.727 1.00 0.00 O ATOM 635 H1 HOH A 212 2.265 11.070 21.906 1.00 0.00 H ATOM 636 H2 HOH A 212 2.363 9.701 22.546 1.00 0.00 H ATOM 637 O HOH A 213 2.824 24.601 3.905 1.00 0.00 O ATOM 638 H1 HOH A 213 2.617 25.497 4.171 1.00 0.00 H ATOM 639 H2 HOH A 213 3.721 24.462 4.207 1.00 0.00 H ATOM 640 O HOH A 214 9.810 5.256 11.305 1.00 0.00 O ATOM 641 H1 HOH A 214 9.419 4.647 11.931 1.00 0.00 H ATOM 642 H2 HOH A 214 9.756 6.110 11.733 1.00 0.00 H ATOM 643 O HOH A 215 22.193 4.675 13.174 1.00 0.00 O ATOM 644 H1 HOH A 215 22.952 4.128 13.377 1.00 0.00 H ATOM 645 H2 HOH A 215 22.176 5.330 13.871 1.00 0.00 H ATOM 646 O HOH A 216 19.641 24.226 11.909 1.00 0.00 O ATOM 647 H1 HOH A 216 18.724 24.484 11.818 1.00 0.00 H ATOM 648 H2 HOH A 216 20.053 24.959 12.366 1.00 0.00 H ATOM 649 O HOH A 217 12.642 21.389 7.943 1.00 0.00 O ATOM 650 H1 HOH A 217 12.852 20.711 8.586 1.00 0.00 H ATOM 651 H2 HOH A 217 12.859 22.211 8.382 1.00 0.00 H ATOM 652 O HOH A 218 23.738 22.509 6.297 1.00 0.00 O ATOM 653 H1 HOH A 218 23.093 21.983 5.825 1.00 0.00 H ATOM 654 H2 HOH A 218 23.550 22.346 7.221 1.00 0.00 H ATOM 655 O HOH A 219 1.734 8.497 13.678 1.00 0.00 O ATOM 656 H1 HOH A 219 1.018 8.159 13.140 1.00 0.00 H ATOM 657 H2 HOH A 219 2.528 8.250 13.203 1.00 0.00 H ATOM 658 O HOH A 220 23.304 22.479 2.913 1.00 0.00 O ATOM 659 H1 HOH A 220 24.261 22.471 2.912 1.00 0.00 H ATOM 660 H2 HOH A 220 23.059 21.815 3.557 1.00 0.00 H ATOM 661 O HOH A 221 7.370 3.226 0.512 1.00 0.00 O ATOM 662 H1 HOH A 221 8.110 3.099 1.106 1.00 0.00 H ATOM 663 H2 HOH A 221 6.744 2.545 0.758 1.00 0.00 H ATOM 664 O HOH A 222 4.503 4.148 10.126 1.00 0.00 O ATOM 665 H1 HOH A 222 4.259 4.982 9.723 1.00 0.00 H ATOM 666 H2 HOH A 222 5.460 4.158 10.139 1.00 0.00 H ATOM 667 O HOH A 223 3.289 15.814 13.995 1.00 0.00 O ATOM 668 H1 HOH A 223 3.722 14.961 13.973 1.00 0.00 H ATOM 669 H2 HOH A 223 3.048 15.984 13.084 1.00 0.00 H ATOM 670 O HOH A 224 13.439 15.931 11.385 1.00 0.00 O ATOM 671 H1 HOH A 224 13.093 15.048 11.257 1.00 0.00 H ATOM 672 H2 HOH A 224 14.005 16.079 10.627 1.00 0.00 H ATOM 673 O HOH A 225 1.406 7.277 4.741 1.00 0.00 O ATOM 674 H1 HOH A 225 0.959 7.995 4.292 1.00 0.00 H ATOM 675 H2 HOH A 225 2.176 7.098 4.201 1.00 0.00 H ATOM 676 O HOH A 226 22.938 19.675 3.497 1.00 0.00 O ATOM 677 H1 HOH A 226 22.949 18.809 3.904 1.00 0.00 H ATOM 678 H2 HOH A 226 22.662 19.513 2.595 1.00 0.00 H ATOM 679 O HOH A 227 20.495 19.648 7.264 1.00 0.00 O ATOM 680 H1 HOH A 227 20.451 18.699 7.382 1.00 0.00 H ATOM 681 H2 HOH A 227 21.249 19.920 7.787 1.00 0.00 H ATOM 682 O HOH A 228 13.732 18.525 22.254 1.00 0.00 O ATOM 683 H1 HOH A 228 13.162 18.858 21.560 1.00 0.00 H ATOM 684 H2 HOH A 228 14.594 18.890 22.052 1.00 0.00 H ATOM 685 O HOH A 229 23.671 10.581 8.339 1.00 0.00 O ATOM 686 H1 HOH A 229 23.861 9.679 8.600 1.00 0.00 H ATOM 687 H2 HOH A 229 23.035 10.496 7.629 1.00 0.00 H ATOM 688 O HOH A 230 15.110 6.294 23.456 1.00 0.00 O ATOM 689 H1 HOH A 230 15.788 6.725 23.976 1.00 0.00 H ATOM 690 H2 HOH A 230 15.569 5.980 22.677 1.00 0.00 H ATOM 691 O HOH A 231 1.432 3.046 18.342 1.00 0.00 O ATOM 692 H1 HOH A 231 1.763 2.222 17.986 1.00 0.00 H ATOM 693 H2 HOH A 231 0.632 3.218 17.846 1.00 0.00 H ATOM 694 O HOH A 232 14.566 17.301 24.633 1.00 0.00 O ATOM 695 H1 HOH A 232 14.180 17.763 23.889 1.00 0.00 H ATOM 696 H2 HOH A 232 14.320 17.824 25.396 1.00 0.00 H ATOM 697 O HOH A 233 24.356 7.913 8.767 1.00 0.00 O ATOM 698 H1 HOH A 233 23.938 7.077 8.561 1.00 0.00 H ATOM 699 H2 HOH A 233 25.041 7.690 9.397 1.00 0.00 H ATOM 700 O HOH A 234 1.310 19.280 14.999 1.00 0.00 O ATOM 701 H1 HOH A 234 0.517 19.653 14.614 1.00 0.00 H ATOM 702 H2 HOH A 234 1.020 18.909 15.833 1.00 0.00 H ATOM 703 O HOH A 235 23.092 7.452 18.595 1.00 0.00 O ATOM 704 H1 HOH A 235 22.449 7.260 17.912 1.00 0.00 H ATOM 705 H2 HOH A 235 22.587 7.882 19.285 1.00 0.00 H ATOM 706 O HOH A 236 0.569 17.473 17.062 1.00 0.00 O ATOM 707 H1 HOH A 236 1.180 17.415 17.796 1.00 0.00 H ATOM 708 H2 HOH A 236 -0.116 16.837 17.270 1.00 0.00 H ATOM 709 O HOH A 237 15.820 12.082 6.843 1.00 0.00 O ATOM 710 H1 HOH A 237 16.750 11.864 6.911 1.00 0.00 H ATOM 711 H2 HOH A 237 15.805 12.939 6.416 1.00 0.00 H ATOM 712 O HOH A 238 12.686 9.114 17.138 1.00 0.00 O ATOM 713 H1 HOH A 238 13.643 9.147 17.126 1.00 0.00 H ATOM 714 H2 HOH A 238 12.455 8.557 16.394 1.00 0.00 H ATOM 715 O HOH A 239 1.875 7.796 0.625 1.00 0.00 O ATOM 716 H1 HOH A 239 2.191 8.686 0.781 1.00 0.00 H ATOM 717 H2 HOH A 239 2.659 7.250 0.683 1.00 0.00 H ATOM 718 O HOH A 240 5.178 8.934 9.000 1.00 0.00 O ATOM 719 H1 HOH A 240 4.535 9.601 9.241 1.00 0.00 H ATOM 720 H2 HOH A 240 4.722 8.103 9.131 1.00 0.00 H ATOM 721 O HOH A 241 0.574 12.232 9.347 1.00 0.00 O ATOM 722 H1 HOH A 241 0.002 11.597 8.915 1.00 0.00 H ATOM 723 H2 HOH A 241 0.669 12.940 8.711 1.00 0.00 H ATOM 724 O HOH A 242 17.201 9.961 4.108 1.00 0.00 O ATOM 725 H1 HOH A 242 17.849 10.633 3.897 1.00 0.00 H ATOM 726 H2 HOH A 242 17.692 9.298 4.593 1.00 0.00 H ATOM 727 O HOH A 243 18.157 8.943 19.284 1.00 0.00 O ATOM 728 H1 HOH A 243 18.945 9.000 19.825 1.00 0.00 H ATOM 729 H2 HOH A 243 17.449 9.228 19.861 1.00 0.00 H ATOM 730 O HOH A 244 14.744 6.234 18.116 1.00 0.00 O ATOM 731 H1 HOH A 244 14.386 5.873 18.927 1.00 0.00 H ATOM 732 H2 HOH A 244 15.648 6.462 18.333 1.00 0.00 H ATOM 733 O HOH A 245 18.989 6.442 14.883 1.00 0.00 O ATOM 734 H1 HOH A 245 18.501 7.073 14.354 1.00 0.00 H ATOM 735 H2 HOH A 245 18.376 5.721 15.023 1.00 0.00 H ATOM 736 O HOH A 246 4.143 6.575 8.687 1.00 0.00 O ATOM 737 H1 HOH A 246 4.332 6.071 7.895 1.00 0.00 H ATOM 738 H2 HOH A 246 3.362 7.082 8.468 1.00 0.00 H ATOM 739 O HOH A 247 19.814 10.606 15.875 1.00 0.00 O ATOM 740 H1 HOH A 247 19.952 11.552 15.832 1.00 0.00 H ATOM 741 H2 HOH A 247 20.138 10.356 16.741 1.00 0.00 H ATOM 742 O HOH A 248 22.665 10.978 4.508 1.00 0.00 O ATOM 743 H1 HOH A 248 21.977 10.807 5.151 1.00 0.00 H ATOM 744 H2 HOH A 248 22.693 10.187 3.969 1.00 0.00 H ATOM 745 O HOH A 249 21.550 17.908 18.253 1.00 0.00 O ATOM 746 H1 HOH A 249 21.662 18.224 17.356 1.00 0.00 H ATOM 747 H2 HOH A 249 21.979 17.052 18.261 1.00 0.00 H ATOM 748 O HOH A 250 16.889 7.615 0.070 1.00 0.00 O ATOM 749 H1 HOH A 250 16.537 8.462 0.345 1.00 0.00 H ATOM 750 H2 HOH A 250 17.682 7.503 0.594 1.00 0.00 H ATOM 751 O HOH A 251 15.832 2.937 15.685 1.00 0.00 O ATOM 752 H1 HOH A 251 15.860 3.832 15.345 1.00 0.00 H ATOM 753 H2 HOH A 251 16.542 2.901 16.326 1.00 0.00 H ATOM 754 O HOH A 252 16.596 5.249 21.447 1.00 0.00 O ATOM 755 H1 HOH A 252 16.916 5.620 20.624 1.00 0.00 H ATOM 756 H2 HOH A 252 16.394 4.337 21.236 1.00 0.00 H ATOM 757 O HOH A 253 22.614 1.751 5.370 1.00 0.00 O ATOM 758 H1 HOH A 253 22.437 0.841 5.128 1.00 0.00 H ATOM 759 H2 HOH A 253 23.513 1.905 5.081 1.00 0.00 H ATOM 760 O HOH A 254 13.584 5.221 15.617 1.00 0.00 O ATOM 761 H1 HOH A 254 13.971 5.422 16.469 1.00 0.00 H ATOM 762 H2 HOH A 254 14.272 5.434 14.986 1.00 0.00 H ATOM 763 O HOH A 255 0.350 14.642 22.124 1.00 0.00 O ATOM 764 H1 HOH A 255 1.062 14.006 22.197 1.00 0.00 H ATOM 765 H2 HOH A 255 0.310 15.056 22.986 1.00 0.00 H ATOM 766 O HOH A 256 23.376 9.705 14.412 1.00 0.00 O ATOM 767 H1 HOH A 256 22.769 8.985 14.241 1.00 0.00 H ATOM 768 H2 HOH A 256 23.042 10.430 13.884 1.00 0.00 H ATOM 769 O HOH A 257 13.143 2.333 15.023 1.00 0.00 O ATOM 770 H1 HOH A 257 12.903 3.244 15.192 1.00 0.00 H ATOM 771 H2 HOH A 257 14.095 2.351 14.918 1.00 0.00 H ATOM 772 O HOH A 258 3.413 11.178 20.307 1.00 0.00 O ATOM 773 H1 HOH A 258 3.413 10.816 19.421 1.00 0.00 H ATOM 774 H2 HOH A 258 4.312 11.062 20.614 1.00 0.00 H ATOM 775 O HOH A 259 20.213 3.037 5.706 1.00 0.00 O ATOM 776 H1 HOH A 259 20.056 3.197 6.636 1.00 0.00 H ATOM 777 H2 HOH A 259 21.086 2.646 5.674 1.00 0.00 H ATOM 778 O HOH A 260 16.816 10.124 23.513 1.00 0.00 O ATOM 779 H1 HOH A 260 16.276 10.783 23.950 1.00 0.00 H ATOM 780 H2 HOH A 260 17.398 10.630 22.946 1.00 0.00 H ATOM 781 O HOH A 261 24.182 10.811 23.786 1.00 0.00 O ATOM 782 H1 HOH A 261 24.469 10.654 22.887 1.00 0.00 H ATOM 783 H2 HOH A 261 23.281 11.121 23.700 1.00 0.00 H ATOM 784 O HOH A 262 15.864 9.808 1.642 1.00 0.00 O ATOM 785 H1 HOH A 262 16.222 10.591 1.225 1.00 0.00 H ATOM 786 H2 HOH A 262 16.263 9.796 2.512 1.00 0.00 H ATOM 787 O HOH A 263 7.647 15.584 14.024 1.00 0.00 O ATOM 788 H1 HOH A 263 7.985 15.100 13.271 1.00 0.00 H ATOM 789 H2 HOH A 263 6.715 15.368 14.050 1.00 0.00 H ATOM 790 O HOH A 264 13.621 3.432 3.646 1.00 0.00 O ATOM 791 H1 HOH A 264 12.952 3.965 4.075 1.00 0.00 H ATOM 792 H2 HOH A 264 14.425 3.946 3.726 1.00 0.00 H ATOM 793 O HOH A 265 19.344 11.572 22.510 1.00 0.00 O ATOM 794 H1 HOH A 265 19.116 12.344 23.028 1.00 0.00 H ATOM 795 H2 HOH A 265 19.752 11.925 21.719 1.00 0.00 H ATOM 796 O HOH A 266 22.859 14.007 3.123 1.00 0.00 O ATOM 797 H1 HOH A 266 22.978 13.568 3.965 1.00 0.00 H ATOM 798 H2 HOH A 266 23.435 14.770 3.167 1.00 0.00 H ATOM 799 O HOH A 267 15.801 6.798 5.684 1.00 0.00 O ATOM 800 H1 HOH A 267 14.934 6.986 6.043 1.00 0.00 H ATOM 801 H2 HOH A 267 16.402 7.300 6.234 1.00 0.00 H ATOM 802 O HOH A 268 15.619 9.433 20.551 1.00 0.00 O ATOM 803 H1 HOH A 268 15.941 9.860 21.345 1.00 0.00 H ATOM 804 H2 HOH A 268 14.669 9.402 20.663 1.00 0.00 H ATOM 805 O HOH A 269 3.100 10.751 7.470 1.00 0.00 O ATOM 806 H1 HOH A 269 3.678 10.618 6.719 1.00 0.00 H ATOM 807 H2 HOH A 269 2.442 10.061 7.392 1.00 0.00 H ATOM 808 O HOH A 270 19.527 9.116 21.707 1.00 0.00 O ATOM 809 H1 HOH A 270 19.268 9.996 21.982 1.00 0.00 H ATOM 810 H2 HOH A 270 19.211 8.544 22.405 1.00 0.00 H ATOM 811 O HOH A 271 23.436 5.890 15.227 1.00 0.00 O ATOM 812 H1 HOH A 271 23.247 6.808 15.420 1.00 0.00 H ATOM 813 H2 HOH A 271 24.059 5.626 15.903 1.00 0.00 H ATOM 814 O HOH A 272 1.197 12.860 14.340 1.00 0.00 O ATOM 815 H1 HOH A 272 0.353 12.701 13.917 1.00 0.00 H ATOM 816 H2 HOH A 272 1.065 13.662 14.845 1.00 0.00 H ATOM 817 O HOH A 273 15.807 13.584 16.858 1.00 0.00 O ATOM 818 H1 HOH A 273 16.681 13.206 16.957 1.00 0.00 H ATOM 819 H2 HOH A 273 15.796 14.325 17.464 1.00 0.00 H ATOM 820 O HOH A 274 21.911 8.914 20.348 1.00 0.00 O ATOM 821 H1 HOH A 274 21.104 9.222 20.760 1.00 0.00 H ATOM 822 H2 HOH A 274 22.569 8.966 21.042 1.00 0.00 H ATOM 823 O HOH A 275 22.340 3.365 9.349 1.00 0.00 O ATOM 824 H1 HOH A 275 21.456 3.724 9.432 1.00 0.00 H ATOM 825 H2 HOH A 275 22.210 2.496 8.969 1.00 0.00 H ATOM 826 O HOH A 276 20.479 8.817 2.107 1.00 0.00 O ATOM 827 H1 HOH A 276 21.354 8.745 2.489 1.00 0.00 H ATOM 828 H2 HOH A 276 20.519 9.601 1.560 1.00 0.00 H ATOM 829 O HOH A 277 11.936 8.266 6.612 1.00 0.00 O ATOM 830 H1 HOH A 277 12.055 8.899 5.904 1.00 0.00 H ATOM 831 H2 HOH A 277 12.750 8.310 7.114 1.00 0.00 H ATOM 832 O HOH A 278 0.446 13.821 0.079 1.00 0.00 O ATOM 833 H1 HOH A 278 1.155 13.183 0.164 1.00 0.00 H ATOM 834 H2 HOH A 278 -0.031 13.762 0.906 1.00 0.00 H ATOM 835 O HOH A 279 1.402 10.602 25.235 1.00 0.00 O ATOM 836 H1 HOH A 279 0.590 11.024 24.956 1.00 0.00 H ATOM 837 H2 HOH A 279 1.888 10.457 24.424 1.00 0.00 H ATOM 838 Cl CL A 280 20.559 10.702 12.130 1.00 0.00 Cl ATOM 839 Du1 CL A 280 20.994 10.064 11.608 1.00 0.00 H ATOM 840 Du2 CL A 280 20.610 11.129 11.319 1.00 0.00 H ATOM 841 O HOH A 281 19.766 14.672 7.299 1.00 0.00 O ATOM 842 H1 HOH A 281 20.482 14.037 7.320 1.00 0.00 H ATOM 843 H2 HOH A 281 19.114 14.318 7.903 1.00 0.00 H ATOM 844 O HOH A 282 4.294 24.804 14.179 1.00 0.00 O ATOM 845 H1 HOH A 282 3.531 25.198 13.757 1.00 0.00 H ATOM 846 H2 HOH A 282 3.927 24.231 14.853 1.00 0.00 H ATOM 847 Na NA A 283 24.025 3.461 11.343 1.00 0.00 Na ATOM 848 Du1 NA A 283 24.698 3.771 11.074 1.00 0.00 H ATOM 849 Du2 NA A 283 23.762 3.252 10.631 1.00 0.00 H ATOM 850 O HOH A 284 2.043 0.297 18.368 1.00 0.00 O ATOM 851 H1 HOH A 284 2.165 0.099 19.296 1.00 0.00 H ATOM 852 H2 HOH A 284 1.127 0.081 18.195 1.00 0.00 H ATOM 853 O HOH A 285 23.410 7.222 22.296 1.00 0.00 O ATOM 854 H1 HOH A 285 22.682 7.220 22.918 1.00 0.00 H ATOM 855 H2 HOH A 285 24.109 7.696 22.747 1.00 0.00 H ATOM 856 O HOH A 286 6.425 2.174 18.117 1.00 0.00 O ATOM 857 H1 HOH A 286 6.513 3.054 18.483 1.00 0.00 H ATOM 858 H2 HOH A 286 6.095 1.644 18.843 1.00 0.00 H ATOM 859 O HOH A 287 24.474 5.913 20.235 1.00 0.00 O ATOM 860 H1 HOH A 287 24.001 6.076 21.051 1.00 0.00 H ATOM 861 H2 HOH A 287 24.057 6.490 19.595 1.00 0.00 H ATOM 862 O HOH A 288 11.979 7.150 24.812 1.00 0.00 O ATOM 863 H1 HOH A 288 11.836 6.620 25.595 1.00 0.00 H ATOM 864 H2 HOH A 288 11.547 6.663 24.110 1.00 0.00 H ATOM 865 O HOH A 289 19.388 7.937 5.591 1.00 0.00 O ATOM 866 H1 HOH A 289 19.800 7.267 5.046 1.00 0.00 H ATOM 867 H2 HOH A 289 18.918 7.444 6.263 1.00 0.00 H ATOM 868 O HOH A 290 20.757 16.730 14.448 1.00 0.00 O ATOM 869 H1 HOH A 290 21.128 17.398 15.024 1.00 0.00 H ATOM 870 H2 HOH A 290 19.955 16.451 14.890 1.00 0.00 H ATOM 871 O HOH A 291 18.833 10.484 7.460 1.00 0.00 O ATOM 872 H1 HOH A 291 18.992 10.754 6.555 1.00 0.00 H ATOM 873 H2 HOH A 291 19.565 10.855 7.953 1.00 0.00 H ATOM 874 Na NA A 292 9.908 2.211 21.278 1.00 0.00 Na ATOM 875 Du1 NA A 292 9.272 2.414 21.906 1.00 0.00 H ATOM 876 Du2 NA A 292 10.609 2.967 21.382 1.00 0.00 H ATOM 877 O HOH A 293 14.244 6.627 1.226 1.00 0.00 O ATOM 878 H1 HOH A 293 13.671 7.081 0.608 1.00 0.00 H ATOM 879 H2 HOH A 293 14.737 6.010 0.686 1.00 0.00 H ATOM 880 O HOH A 294 0.882 9.469 2.992 1.00 0.00 O ATOM 881 H1 HOH A 294 -0.005 9.766 3.193 1.00 0.00 H ATOM 882 H2 HOH A 294 1.029 9.748 2.088 1.00 0.00 H ATOM 883 O HOH A 295 0.391 8.973 18.891 1.00 0.00 O ATOM 884 H1 HOH A 295 0.895 9.125 18.092 1.00 0.00 H ATOM 885 H2 HOH A 295 -0.318 8.390 18.620 1.00 0.00 H ATOM 886 O HOH A 296 15.956 18.760 14.446 1.00 0.00 O ATOM 887 H1 HOH A 296 16.522 19.200 13.811 1.00 0.00 H ATOM 888 H2 HOH A 296 16.545 18.507 15.157 1.00 0.00 H ATOM 889 Na NA A 297 4.484 11.148 12.729 1.00 0.00 Na ATOM 890 Du1 NA A 297 4.586 12.084 12.742 1.00 0.00 H ATOM 891 Du2 NA A 297 3.935 11.343 12.425 1.00 0.00 H ATOM 892 O HOH A 298 5.778 0.058 19.920 1.00 0.00 O ATOM 893 H1 HOH A 298 5.165 -0.483 19.423 1.00 0.00 H ATOM 894 H2 HOH A 298 5.250 0.435 20.624 1.00 0.00 H ATOM 895 O HOH A 299 13.354 15.537 18.663 1.00 0.00 O ATOM 896 H1 HOH A 299 13.127 14.664 18.343 1.00 0.00 H ATOM 897 H2 HOH A 299 12.566 15.839 19.115 1.00 0.00 H ATOM 898 O HOH A 300 0.030 9.483 12.034 1.00 0.00 O ATOM 899 H1 HOH A 300 0.271 9.493 12.961 1.00 0.00 H ATOM 900 H2 HOH A 300 0.183 8.581 11.755 1.00 0.00 H ATOM 901 O HOH A 301 3.628 10.973 9.962 1.00 0.00 O ATOM 902 H1 HOH A 301 3.720 11.410 9.115 1.00 0.00 H ATOM 903 H2 HOH A 301 2.825 11.337 10.334 1.00 0.00 H ATOM 904 O HOH A 302 19.592 3.465 8.241 1.00 0.00 O ATOM 905 H1 HOH A 302 19.082 3.081 8.954 1.00 0.00 H ATOM 906 H2 HOH A 302 19.587 4.405 8.421 1.00 0.00 H ATOM 907 O HOH A 303 1.642 11.510 11.553 1.00 0.00 O ATOM 908 H1 HOH A 303 0.926 10.881 11.640 1.00 0.00 H ATOM 909 H2 HOH A 303 1.258 12.246 11.076 1.00 0.00 H ATOM 910 O HOH A 304 0.988 4.538 9.820 1.00 0.00 O ATOM 911 H1 HOH A 304 1.792 4.182 10.198 1.00 0.00 H ATOM 912 H2 HOH A 304 1.013 4.265 8.903 1.00 0.00 H ATOM 913 O HOH A 305 0.985 6.888 11.035 1.00 0.00 O ATOM 914 H1 HOH A 305 1.016 6.204 10.366 1.00 0.00 H ATOM 915 H2 HOH A 305 1.875 6.921 11.386 1.00 0.00 H ATOM 916 O HOH A 306 18.038 8.413 13.187 1.00 0.00 O ATOM 917 H1 HOH A 306 17.082 8.459 13.189 1.00 0.00 H ATOM 918 H2 HOH A 306 18.321 9.301 12.968 1.00 0.00 H ATOM 919 O HOH A 307 20.879 15.485 12.172 1.00 0.00 O ATOM 920 H1 HOH A 307 20.262 14.804 12.440 1.00 0.00 H ATOM 921 H2 HOH A 307 21.081 15.957 12.980 1.00 0.00 H ATOM 922 Na NA A 308 11.847 4.659 9.935 1.00 0.00 Na ATOM 923 Du1 NA A 308 12.464 4.053 10.345 1.00 0.00 H ATOM 924 Du2 NA A 308 11.072 4.630 10.496 1.00 0.00 H ATOM 925 O HOH A 309 23.103 8.615 3.180 1.00 0.00 O ATOM 926 H1 HOH A 309 23.372 7.777 3.556 1.00 0.00 H ATOM 927 H2 HOH A 309 23.434 8.593 2.283 1.00 0.00 H ATOM 928 O HOH A 310 22.233 16.311 9.296 1.00 0.00 O ATOM 929 H1 HOH A 310 21.718 16.148 10.086 1.00 0.00 H ATOM 930 H2 HOH A 310 23.050 15.834 9.439 1.00 0.00 H ATOM 931 O HOH A 311 20.887 0.236 25.141 1.00 0.00 O ATOM 932 H1 HOH A 311 21.324 0.773 24.481 1.00 0.00 H ATOM 933 H2 HOH A 311 21.531 -0.434 25.370 1.00 0.00 H ATOM 934 O HOH A 312 17.410 9.488 16.936 1.00 0.00 O ATOM 935 H1 HOH A 312 18.025 10.088 16.513 1.00 0.00 H ATOM 936 H2 HOH A 312 17.777 9.343 17.807 1.00 0.00 H ATOM 937 O HOH A 313 13.689 11.264 14.718 1.00 0.00 O ATOM 938 H1 HOH A 313 14.543 11.051 14.342 1.00 0.00 H ATOM 939 H2 HOH A 313 13.825 11.215 15.664 1.00 0.00 H ATOM 940 O HOH A 314 13.723 8.353 9.696 1.00 0.00 O ATOM 941 H1 HOH A 314 14.387 7.801 9.284 1.00 0.00 H ATOM 942 H2 HOH A 314 14.030 9.248 9.548 1.00 0.00 H ATOM 943 Cl CL A 315 3.375 14.632 9.122 1.00 0.00 Cl ATOM 944 Du1 CL A 315 3.239 14.160 10.007 1.00 0.00 H ATOM 945 Du2 CL A 315 4.190 14.317 9.137 1.00 0.00 H ATOM 946 O HOH A 316 21.330 9.246 7.322 1.00 0.00 O ATOM 947 H1 HOH A 316 20.407 9.134 7.095 1.00 0.00 H ATOM 948 H2 HOH A 316 21.491 8.592 8.002 1.00 0.00 H ATOM 949 O HOH A 317 6.819 6.794 7.766 1.00 0.00 O ATOM 950 H1 HOH A 317 6.822 6.924 6.818 1.00 0.00 H ATOM 951 H2 HOH A 317 6.244 7.482 8.101 1.00 0.00 H ATOM 952 O HOH A 318 0.522 13.972 7.452 1.00 0.00 O ATOM 953 H1 HOH A 318 1.226 14.621 7.451 1.00 0.00 H ATOM 954 H2 HOH A 318 0.929 13.175 7.112 1.00 0.00 H ATOM 955 O HOH A 319 22.542 9.395 10.625 1.00 0.00 O ATOM 956 H1 HOH A 319 22.707 10.112 10.012 1.00 0.00 H ATOM 957 H2 HOH A 319 23.145 9.556 11.350 1.00 0.00 H ATOM 958 O HOH A 320 5.974 20.690 14.313 1.00 0.00 O ATOM 959 H1 HOH A 320 6.865 20.998 14.480 1.00 0.00 H ATOM 960 H2 HOH A 320 5.532 21.439 13.913 1.00 0.00 H ATOM 961 O HOH A 321 1.815 8.459 16.227 1.00 0.00 O ATOM 962 H1 HOH A 321 1.667 8.226 15.311 1.00 0.00 H ATOM 963 H2 HOH A 321 2.288 7.710 16.591 1.00 0.00 H ATOM 964 O HOH A 322 21.825 13.256 13.828 1.00 0.00 O ATOM 965 H1 HOH A 322 21.177 12.653 13.463 1.00 0.00 H ATOM 966 H2 HOH A 322 22.346 13.534 13.075 1.00 0.00 H ATOM 967 O HOH A 323 0.221 4.373 1.463 1.00 0.00 O ATOM 968 H1 HOH A 323 0.369 3.546 1.003 1.00 0.00 H ATOM 969 H2 HOH A 323 -0.417 4.837 0.922 1.00 0.00 H ATOM 970 O HOH A 324 17.932 13.014 8.496 1.00 0.00 O ATOM 971 H1 HOH A 324 17.492 13.514 9.183 1.00 0.00 H ATOM 972 H2 HOH A 324 17.651 12.110 8.638 1.00 0.00 H ATOM 973 O HOH A 325 2.166 20.321 17.852 1.00 0.00 O ATOM 974 H1 HOH A 325 2.849 20.066 17.231 1.00 0.00 H ATOM 975 H2 HOH A 325 2.125 19.595 18.474 1.00 0.00 H ATOM 976 O HOH A 326 24.765 18.835 20.341 1.00 0.00 O ATOM 977 H1 HOH A 326 25.508 18.257 20.162 1.00 0.00 H ATOM 978 H2 HOH A 326 24.012 18.379 19.966 1.00 0.00 H ATOM 979 O HOH A 327 12.046 2.732 19.118 1.00 0.00 O ATOM 980 H1 HOH A 327 11.323 3.206 18.706 1.00 0.00 H ATOM 981 H2 HOH A 327 12.835 3.137 18.757 1.00 0.00 H ATOM 982 Cl CL A 328 6.964 20.037 0.159 1.00 0.00 Cl ATOM 983 Du1 CL A 328 6.738 20.500 -0.648 1.00 0.00 H ATOM 984 Du2 CL A 328 6.451 20.474 0.839 1.00 0.00 H ATOM 985 O HOH A 329 10.913 20.498 1.981 1.00 0.00 O ATOM 986 H1 HOH A 329 10.318 21.220 1.777 1.00 0.00 H ATOM 987 H2 HOH A 329 10.337 19.773 2.224 1.00 0.00 H ATOM 988 O HOH A 330 11.327 20.432 23.648 1.00 0.00 O ATOM 989 H1 HOH A 330 10.496 20.809 23.359 1.00 0.00 H ATOM 990 H2 HOH A 330 11.846 20.354 22.848 1.00 0.00 H ATOM 991 O HOH A 331 11.507 13.840 23.342 1.00 0.00 O ATOM 992 H1 HOH A 331 10.749 13.753 23.920 1.00 0.00 H ATOM 993 H2 HOH A 331 11.660 12.954 23.012 1.00 0.00 H ATOM 994 O HOH A 332 12.593 19.129 5.092 1.00 0.00 O ATOM 995 H1 HOH A 332 13.297 19.722 5.356 1.00 0.00 H ATOM 996 H2 HOH A 332 11.975 19.685 4.618 1.00 0.00 H ATOM 997 O HOH A 333 6.925 24.600 14.222 1.00 0.00 O ATOM 998 H1 HOH A 333 5.978 24.738 14.200 1.00 0.00 H ATOM 999 H2 HOH A 333 7.027 23.664 14.392 1.00 0.00 H ATOM 1000 O HOH A 334 6.124 17.423 25.042 1.00 0.00 O ATOM 1001 H1 HOH A 334 6.762 16.976 24.486 1.00 0.00 H ATOM 1002 H2 HOH A 334 6.300 18.354 24.909 1.00 0.00 H ATOM 1003 O HOH A 335 3.343 19.563 13.247 1.00 0.00 O ATOM 1004 H1 HOH A 335 2.581 19.218 13.712 1.00 0.00 H ATOM 1005 H2 HOH A 335 3.873 19.977 13.928 1.00 0.00 H ATOM 1006 O HOH A 336 13.039 10.337 0.616 1.00 0.00 O ATOM 1007 H1 HOH A 336 12.773 9.429 0.473 1.00 0.00 H ATOM 1008 H2 HOH A 336 13.983 10.289 0.770 1.00 0.00 H ATOM 1009 O HOH A 337 2.162 23.734 8.042 1.00 0.00 O ATOM 1010 H1 HOH A 337 1.470 24.096 7.489 1.00 0.00 H ATOM 1011 H2 HOH A 337 2.831 24.419 8.068 1.00 0.00 H ATOM 1012 O HOH A 338 6.013 11.219 21.642 1.00 0.00 O ATOM 1013 H1 HOH A 338 6.502 12.028 21.488 1.00 0.00 H ATOM 1014 H2 HOH A 338 6.466 10.561 21.115 1.00 0.00 H ATOM 1015 O HOH A 339 4.253 19.529 16.360 1.00 0.00 O ATOM 1016 H1 HOH A 339 4.787 19.983 15.709 1.00 0.00 H ATOM 1017 H2 HOH A 339 4.312 18.605 16.117 1.00 0.00 H ATOM 1018 O HOH A 340 18.143 16.373 5.436 1.00 0.00 O ATOM 1019 H1 HOH A 340 18.588 15.979 6.186 1.00 0.00 H ATOM 1020 H2 HOH A 340 17.562 15.684 5.113 1.00 0.00 H ATOM 1021 O HOH A 341 22.974 19.511 8.437 1.00 0.00 O ATOM 1022 H1 HOH A 341 23.815 19.055 8.392 1.00 0.00 H ATOM 1023 H2 HOH A 341 23.030 20.039 9.233 1.00 0.00 H ATOM 1024 O HOH A 342 17.898 21.326 0.914 1.00 0.00 O ATOM 1025 H1 HOH A 342 16.947 21.428 0.874 1.00 0.00 H ATOM 1026 H2 HOH A 342 18.241 22.103 0.472 1.00 0.00 H ATOM 1027 O HOH A 343 6.693 23.922 1.424 1.00 0.00 O ATOM 1028 H1 HOH A 343 6.318 23.511 0.646 1.00 0.00 H ATOM 1029 H2 HOH A 343 6.032 24.555 1.704 1.00 0.00 H ATOM 1030 O HOH A 344 10.967 4.153 5.372 1.00 0.00 O ATOM 1031 H1 HOH A 344 10.490 4.973 5.239 1.00 0.00 H ATOM 1032 H2 HOH A 344 10.424 3.657 5.984 1.00 0.00 H ATOM 1033 O HOH A 345 13.066 15.964 14.554 1.00 0.00 O ATOM 1034 H1 HOH A 345 13.119 16.486 13.753 1.00 0.00 H ATOM 1035 H2 HOH A 345 12.128 15.847 14.703 1.00 0.00 H ATOM 1036 O HOH A 346 7.381 24.707 17.190 1.00 0.00 O ATOM 1037 H1 HOH A 346 7.655 24.771 18.105 1.00 0.00 H ATOM 1038 H2 HOH A 346 6.853 25.491 17.042 1.00 0.00 H ATOM 1039 O HOH A 347 14.695 1.986 17.986 1.00 0.00 O ATOM 1040 H1 HOH A 347 14.216 2.126 17.170 1.00 0.00 H ATOM 1041 H2 HOH A 347 14.939 1.061 17.965 1.00 0.00 H ATOM 1042 O HOH A 348 9.192 6.824 14.052 1.00 0.00 O ATOM 1043 H1 HOH A 348 10.118 6.669 14.239 1.00 0.00 H ATOM 1044 H2 HOH A 348 8.970 7.601 14.565 1.00 0.00 H ATOM 1045 O HOH A 349 8.643 13.287 20.990 1.00 0.00 O ATOM 1046 H1 HOH A 349 8.857 13.654 21.848 1.00 0.00 H ATOM 1047 H2 HOH A 349 8.359 12.392 21.175 1.00 0.00 H ATOM 1048 O HOH A 350 10.814 17.472 24.302 1.00 0.00 O ATOM 1049 H1 HOH A 350 10.786 18.429 24.299 1.00 0.00 H ATOM 1050 H2 HOH A 350 11.654 17.255 23.898 1.00 0.00 H ATOM 1051 O HOH A 351 12.481 13.486 7.534 1.00 0.00 O ATOM 1052 H1 HOH A 351 12.173 13.681 6.649 1.00 0.00 H ATOM 1053 H2 HOH A 351 12.264 14.268 8.041 1.00 0.00 H ATOM 1054 O HOH A 352 10.029 11.409 3.790 1.00 0.00 O ATOM 1055 H1 HOH A 352 10.753 11.361 4.414 1.00 0.00 H ATOM 1056 H2 HOH A 352 10.311 12.057 3.145 1.00 0.00 H ATOM 1057 O HOH A 353 12.720 24.296 24.194 1.00 0.00 O ATOM 1058 H1 HOH A 353 12.925 24.011 25.084 1.00 0.00 H ATOM 1059 H2 HOH A 353 12.911 25.234 24.193 1.00 0.00 H ATOM 1060 O HOH A 354 4.150 22.085 19.629 1.00 0.00 O ATOM 1061 H1 HOH A 354 3.519 21.706 19.018 1.00 0.00 H ATOM 1062 H2 HOH A 354 4.989 21.699 19.378 1.00 0.00 H ATOM 1063 O HOH A 355 10.791 10.578 22.945 1.00 0.00 O ATOM 1064 H1 HOH A 355 10.524 10.950 22.105 1.00 0.00 H ATOM 1065 H2 HOH A 355 10.218 9.821 23.066 1.00 0.00 H ATOM 1066 O HOH A 356 12.513 18.930 19.716 1.00 0.00 O ATOM 1067 H1 HOH A 356 11.776 18.479 19.304 1.00 0.00 H ATOM 1068 H2 HOH A 356 12.784 19.584 19.072 1.00 0.00 H ATOM 1069 O HOH A 357 18.000 14.110 1.525 1.00 0.00 O ATOM 1070 H1 HOH A 357 18.922 14.320 1.671 1.00 0.00 H ATOM 1071 H2 HOH A 357 17.642 14.887 1.096 1.00 0.00 H ATOM 1072 O HOH A 358 24.546 16.209 12.775 1.00 0.00 O ATOM 1073 H1 HOH A 358 24.087 16.999 12.487 1.00 0.00 H ATOM 1074 H2 HOH A 358 25.169 16.025 12.072 1.00 0.00 H ATOM 1075 O HOH A 359 11.999 14.560 5.019 1.00 0.00 O ATOM 1076 H1 HOH A 359 12.058 15.250 4.358 1.00 0.00 H ATOM 1077 H2 HOH A 359 11.332 13.962 4.682 1.00 0.00 H ATOM 1078 O HOH A 360 21.108 16.937 6.791 1.00 0.00 O ATOM 1079 H1 HOH A 360 21.789 16.842 7.457 1.00 0.00 H ATOM 1080 H2 HOH A 360 20.419 16.331 7.065 1.00 0.00 H ATOM 1081 O HOH A 361 8.713 14.295 23.495 1.00 0.00 O ATOM 1082 H1 HOH A 361 7.962 14.228 24.083 1.00 0.00 H ATOM 1083 H2 HOH A 361 8.654 15.177 23.128 1.00 0.00 H ATOM 1084 O HOH A 362 9.570 18.678 3.968 1.00 0.00 O ATOM 1085 H1 HOH A 362 9.540 19.407 4.588 1.00 0.00 H ATOM 1086 H2 HOH A 362 8.938 18.915 3.289 1.00 0.00 H ATOM 1087 O HOH A 363 16.787 6.783 3.031 1.00 0.00 O ATOM 1088 H1 HOH A 363 16.095 7.055 2.428 1.00 0.00 H ATOM 1089 H2 HOH A 363 16.433 6.966 3.901 1.00 0.00 H ATOM 1090 O HOH A 364 9.034 3.611 7.105 1.00 0.00 O ATOM 1091 H1 HOH A 364 8.346 3.904 7.703 1.00 0.00 H ATOM 1092 H2 HOH A 364 9.238 2.721 7.391 1.00 0.00 H ATOM 1093 O HOH A 365 12.161 0.353 5.492 1.00 0.00 O ATOM 1094 H1 HOH A 365 12.409 -0.540 5.254 1.00 0.00 H ATOM 1095 H2 HOH A 365 12.891 0.671 6.023 1.00 0.00 H ATOM 1096 O HOH A 366 15.148 16.667 9.359 1.00 0.00 O ATOM 1097 H1 HOH A 366 15.178 16.037 8.639 1.00 0.00 H ATOM 1098 H2 HOH A 366 15.557 17.456 9.004 1.00 0.00 H ATOM 1099 O HOH A 367 24.640 19.936 24.763 1.00 0.00 O ATOM 1100 H1 HOH A 367 25.560 20.155 24.913 1.00 0.00 H ATOM 1101 H2 HOH A 367 24.606 18.982 24.839 1.00 0.00 H ATOM 1102 O HOH A 368 9.677 24.865 24.086 1.00 0.00 O ATOM 1103 H1 HOH A 368 9.129 25.523 23.658 1.00 0.00 H ATOM 1104 H2 HOH A 368 10.054 24.361 23.365 1.00 0.00 H ATOM 1105 O HOH A 369 15.188 21.473 21.091 1.00 0.00 O ATOM 1106 H1 HOH A 369 15.773 21.961 21.670 1.00 0.00 H ATOM 1107 H2 HOH A 369 14.326 21.547 21.501 1.00 0.00 H ATOM 1108 O HOH A 370 14.472 20.782 5.933 1.00 0.00 O ATOM 1109 H1 HOH A 370 15.223 21.240 6.312 1.00 0.00 H ATOM 1110 H2 HOH A 370 13.717 21.316 6.179 1.00 0.00 H ATOM 1111 O HOH A 371 18.479 16.019 15.782 1.00 0.00 O ATOM 1112 H1 HOH A 371 18.197 16.921 15.938 1.00 0.00 H ATOM 1113 H2 HOH A 371 17.810 15.656 15.202 1.00 0.00 H ATOM 1114 O HOH A 372 7.778 15.712 19.710 1.00 0.00 O ATOM 1115 H1 HOH A 372 8.027 14.874 20.101 1.00 0.00 H ATOM 1116 H2 HOH A 372 7.018 15.997 20.217 1.00 0.00 H ATOM 1117 O HOH A 373 18.326 22.603 17.721 1.00 0.00 O ATOM 1118 H1 HOH A 373 18.346 23.088 18.546 1.00 0.00 H ATOM 1119 H2 HOH A 373 18.186 23.273 17.052 1.00 0.00 H ATOM 1120 O HOH A 374 3.637 3.493 13.338 1.00 0.00 O ATOM 1121 H1 HOH A 374 2.711 3.332 13.157 1.00 0.00 H ATOM 1122 H2 HOH A 374 4.056 2.641 13.224 1.00 0.00 H ATOM 1123 O HOH A 375 9.748 20.390 21.121 1.00 0.00 O ATOM 1124 H1 HOH A 375 10.526 20.027 20.696 1.00 0.00 H ATOM 1125 H2 HOH A 375 9.336 20.930 20.447 1.00 0.00 H ATOM 1126 O HOH A 376 11.577 23.251 19.892 1.00 0.00 O ATOM 1127 H1 HOH A 376 11.968 23.447 20.743 1.00 0.00 H ATOM 1128 H2 HOH A 376 12.149 23.687 19.259 1.00 0.00 H ATOM 1129 O HOH A 377 4.841 12.030 24.051 1.00 0.00 O ATOM 1130 H1 HOH A 377 4.872 11.711 23.149 1.00 0.00 H ATOM 1131 H2 HOH A 377 5.689 12.454 24.185 1.00 0.00 H ATOM 1132 O HOH A 378 11.938 20.871 12.702 1.00 0.00 O ATOM 1133 H1 HOH A 378 12.510 20.834 11.935 1.00 0.00 H ATOM 1134 H2 HOH A 378 12.208 20.126 13.239 1.00 0.00 H ATOM 1135 O HOH A 379 8.001 18.267 18.398 1.00 0.00 O ATOM 1136 H1 HOH A 379 8.256 17.451 18.829 1.00 0.00 H ATOM 1137 H2 HOH A 379 8.625 18.364 17.680 1.00 0.00 H ATOM 1138 O HOH A 380 16.694 4.769 8.458 1.00 0.00 O ATOM 1139 H1 HOH A 380 16.143 5.229 7.825 1.00 0.00 H ATOM 1140 H2 HOH A 380 17.493 5.294 8.508 1.00 0.00 H ATOM 1141 O HOH A 381 2.637 15.690 24.445 1.00 0.00 O ATOM 1142 H1 HOH A 381 3.431 15.242 24.152 1.00 0.00 H ATOM 1143 H2 HOH A 381 2.183 15.044 24.986 1.00 0.00 H ATOM 1144 O HOH A 382 13.719 19.328 1.677 1.00 0.00 O ATOM 1145 H1 HOH A 382 12.782 19.326 1.875 1.00 0.00 H ATOM 1146 H2 HOH A 382 13.919 20.242 1.474 1.00 0.00 H ATOM 1147 O HOH A 383 13.691 5.830 20.681 1.00 0.00 O ATOM 1148 H1 HOH A 383 14.321 6.226 21.283 1.00 0.00 H ATOM 1149 H2 HOH A 383 12.907 5.690 21.212 1.00 0.00 H ATOM 1150 O HOH A 384 23.256 5.526 8.076 1.00 0.00 O ATOM 1151 H1 HOH A 384 23.913 5.431 7.386 1.00 0.00 H ATOM 1152 H2 HOH A 384 23.052 4.629 8.338 1.00 0.00 H ATOM 1153 O HOH A 385 7.088 2.734 3.677 1.00 0.00 O ATOM 1154 H1 HOH A 385 7.837 2.140 3.726 1.00 0.00 H ATOM 1155 H2 HOH A 385 7.439 3.585 3.941 1.00 0.00 H ATOM 1156 O HOH A 386 17.720 1.871 3.993 1.00 0.00 O ATOM 1157 H1 HOH A 386 18.343 2.164 4.657 1.00 0.00 H ATOM 1158 H2 HOH A 386 16.963 2.447 4.102 1.00 0.00 H ATOM 1159 O HOH A 387 12.039 16.311 20.807 1.00 0.00 O ATOM 1160 H1 HOH A 387 11.892 15.371 20.918 1.00 0.00 H ATOM 1161 H2 HOH A 387 12.867 16.479 21.257 1.00 0.00 H ATOM 1162 O HOH A 388 8.910 18.453 1.178 1.00 0.00 O ATOM 1163 H1 HOH A 388 8.206 18.942 0.753 1.00 0.00 H ATOM 1164 H2 HOH A 388 9.317 17.954 0.470 1.00 0.00 H ATOM 1165 O HOH A 389 16.959 23.316 13.534 1.00 0.00 O ATOM 1166 H1 HOH A 389 16.450 24.077 13.814 1.00 0.00 H ATOM 1167 H2 HOH A 389 17.812 23.431 13.953 1.00 0.00 H ATOM 1168 O HOH A 390 5.432 4.653 23.746 1.00 0.00 O ATOM 1169 H1 HOH A 390 5.402 3.708 23.592 1.00 0.00 H ATOM 1170 H2 HOH A 390 6.141 4.771 24.378 1.00 0.00 H ATOM 1171 O HOH A 391 4.455 5.810 14.292 1.00 0.00 O ATOM 1172 H1 HOH A 391 4.115 4.921 14.189 1.00 0.00 H ATOM 1173 H2 HOH A 391 4.935 5.979 13.481 1.00 0.00 H ATOM 1174 O HOH A 392 10.285 1.021 7.487 1.00 0.00 O ATOM 1175 H1 HOH A 392 10.535 0.556 6.688 1.00 0.00 H ATOM 1176 H2 HOH A 392 9.685 0.423 7.934 1.00 0.00 H ATOM 1177 O HOH A 393 10.811 13.047 1.713 1.00 0.00 O ATOM 1178 H1 HOH A 393 11.065 12.488 0.979 1.00 0.00 H ATOM 1179 H2 HOH A 393 11.517 13.689 1.782 1.00 0.00 H ATOM 1180 O HOH A 394 20.922 6.549 17.137 1.00 0.00 O ATOM 1181 H1 HOH A 394 20.758 5.898 17.819 1.00 0.00 H ATOM 1182 H2 HOH A 394 20.274 6.355 16.460 1.00 0.00 H ATOM 1183 O HOH A 395 13.469 24.701 16.002 1.00 0.00 O ATOM 1184 H1 HOH A 395 13.404 25.466 15.430 1.00 0.00 H ATOM 1185 H2 HOH A 395 12.631 24.252 15.898 1.00 0.00 H ATOM 1186 O HOH A 396 3.620 18.136 24.365 1.00 0.00 O ATOM 1187 H1 HOH A 396 4.446 17.809 24.721 1.00 0.00 H ATOM 1188 H2 HOH A 396 2.989 17.439 24.541 1.00 0.00 H ATOM 1189 O HOH A 397 10.455 20.994 15.976 1.00 0.00 O ATOM 1190 H1 HOH A 397 10.921 21.805 15.774 1.00 0.00 H ATOM 1191 H2 HOH A 397 11.108 20.444 16.410 1.00 0.00 H ATOM 1192 O HOH A 398 5.963 14.260 17.043 1.00 0.00 O ATOM 1193 H1 HOH A 398 5.641 13.826 17.833 1.00 0.00 H ATOM 1194 H2 HOH A 398 6.905 14.347 17.184 1.00 0.00 H ATOM 1195 O HOH A 399 7.430 20.790 22.494 1.00 0.00 O ATOM 1196 H1 HOH A 399 7.024 21.657 22.463 1.00 0.00 H ATOM 1197 H2 HOH A 399 8.359 20.954 22.333 1.00 0.00 H ATOM 1198 O HOH A 400 9.842 5.302 1.309 1.00 0.00 O ATOM 1199 H1 HOH A 400 10.162 6.055 1.806 1.00 0.00 H ATOM 1200 H2 HOH A 400 8.925 5.505 1.128 1.00 0.00 H ATOM 1201 O HOH A 401 6.092 6.397 12.126 1.00 0.00 O ATOM 1202 H1 HOH A 401 6.328 5.725 12.765 1.00 0.00 H ATOM 1203 H2 HOH A 401 6.851 6.979 12.099 1.00 0.00 H ATOM 1204 O HOH A 402 13.888 24.363 18.797 1.00 0.00 O ATOM 1205 H1 HOH A 402 13.808 24.383 17.843 1.00 0.00 H ATOM 1206 H2 HOH A 402 14.110 23.455 19.000 1.00 0.00 H ATOM 1207 O HOH A 403 6.011 18.713 21.437 1.00 0.00 O ATOM 1208 H1 HOH A 403 6.156 18.766 20.493 1.00 0.00 H ATOM 1209 H2 HOH A 403 6.431 19.497 21.789 1.00 0.00 H ATOM 1210 O HOH A 404 5.099 14.553 24.059 1.00 0.00 O ATOM 1211 H1 HOH A 404 5.257 14.713 24.989 1.00 0.00 H ATOM 1212 H2 HOH A 404 4.721 13.674 24.026 1.00 0.00 H ATOM 1213 O HOH A 405 10.609 18.570 14.791 1.00 0.00 O ATOM 1214 H1 HOH A 405 10.380 19.397 15.215 1.00 0.00 H ATOM 1215 H2 HOH A 405 10.525 18.749 13.854 1.00 0.00 H ATOM 1216 O HOH A 406 20.360 13.384 19.632 1.00 0.00 O ATOM 1217 H1 HOH A 406 21.281 13.568 19.816 1.00 0.00 H ATOM 1218 H2 HOH A 406 19.993 14.228 19.372 1.00 0.00 H ATOM 1219 O HOH A 407 8.389 16.970 5.297 1.00 0.00 O ATOM 1220 H1 HOH A 407 8.163 16.418 4.549 1.00 0.00 H ATOM 1221 H2 HOH A 407 8.672 17.797 4.908 1.00 0.00 H ATOM 1222 O HOH A 408 8.919 0.579 11.774 1.00 0.00 O ATOM 1223 H1 HOH A 408 8.811 -0.201 12.318 1.00 0.00 H ATOM 1224 H2 HOH A 408 8.580 0.323 10.917 1.00 0.00 H ATOM 1225 O HOH A 409 9.251 0.821 14.740 1.00 0.00 O ATOM 1226 H1 HOH A 409 9.263 1.224 13.872 1.00 0.00 H ATOM 1227 H2 HOH A 409 8.414 0.357 14.778 1.00 0.00 H ATOM 1228 O HOH A 410 15.442 22.691 10.415 1.00 0.00 O ATOM 1229 H1 HOH A 410 14.926 23.393 10.019 1.00 0.00 H ATOM 1230 H2 HOH A 410 16.069 23.143 10.980 1.00 0.00 H ATOM 1231 O HOH A 411 8.659 17.550 11.932 1.00 0.00 O ATOM 1232 H1 HOH A 411 7.755 17.743 12.178 1.00 0.00 H ATOM 1233 H2 HOH A 411 8.651 16.622 11.693 1.00 0.00 H ATOM 1234 Na NA A 412 15.020 19.534 10.883 1.00 0.00 Na ATOM 1235 Du1 NA A 412 15.629 20.265 10.993 1.00 0.00 H ATOM 1236 Du2 NA A 412 14.660 19.652 10.004 1.00 0.00 H ATOM 1237 O HOH A 413 7.113 6.700 17.361 1.00 0.00 O ATOM 1238 H1 HOH A 413 6.927 6.061 16.673 1.00 0.00 H ATOM 1239 H2 HOH A 413 7.521 7.435 16.902 1.00 0.00 H ATOM 1240 O HOH A 414 9.703 19.971 10.846 1.00 0.00 O ATOM 1241 H1 HOH A 414 10.356 19.766 10.177 1.00 0.00 H ATOM 1242 H2 HOH A 414 9.268 19.137 11.021 1.00 0.00 H ATOM 1243 O HOH A 415 14.247 17.233 16.814 1.00 0.00 O ATOM 1244 H1 HOH A 415 14.071 16.748 16.007 1.00 0.00 H ATOM 1245 H2 HOH A 415 13.968 16.642 17.514 1.00 0.00 H ATOM 1246 O HOH A 416 11.740 10.998 5.760 1.00 0.00 O ATOM 1247 H1 HOH A 416 11.623 10.382 6.483 1.00 0.00 H ATOM 1248 H2 HOH A 416 12.645 11.299 5.845 1.00 0.00 H ATOM 1249 O HOH A 417 11.719 6.118 14.109 1.00 0.00 O ATOM 1250 H1 HOH A 417 12.490 6.617 13.839 1.00 0.00 H ATOM 1251 H2 HOH A 417 12.072 5.391 14.622 1.00 0.00 H ATOM 1252 O HOH A 418 5.117 18.488 9.208 1.00 0.00 O ATOM 1253 H1 HOH A 418 5.298 17.573 9.421 1.00 0.00 H ATOM 1254 H2 HOH A 418 5.932 18.811 8.824 1.00 0.00 H ATOM 1255 O HOH A 419 7.562 19.002 8.120 1.00 0.00 O ATOM 1256 H1 HOH A 419 7.710 18.057 8.079 1.00 0.00 H ATOM 1257 H2 HOH A 419 8.430 19.386 7.992 1.00 0.00 H ATOM 1258 O HOH A 420 5.401 20.009 11.575 1.00 0.00 O ATOM 1259 H1 HOH A 420 5.616 19.078 11.519 1.00 0.00 H ATOM 1260 H2 HOH A 420 4.642 20.045 12.157 1.00 0.00 H ATOM 1261 O HOH A 421 10.831 17.786 17.222 1.00 0.00 O ATOM 1262 H1 HOH A 421 10.906 17.650 16.277 1.00 0.00 H ATOM 1263 H2 HOH A 421 11.660 17.464 17.576 1.00 0.00 H ATOM 1264 O HOH A 422 22.437 24.345 4.563 1.00 0.00 O ATOM 1265 H1 HOH A 422 22.269 23.548 5.064 1.00 0.00 H ATOM 1266 H2 HOH A 422 22.766 24.034 3.720 1.00 0.00 H ATOM 1267 O HOH A 423 14.812 3.437 12.268 1.00 0.00 O ATOM 1268 H1 HOH A 423 14.190 2.887 11.792 1.00 0.00 H ATOM 1269 H2 HOH A 423 15.672 3.108 12.008 1.00 0.00 H ATOM 1270 O HOH A 424 7.492 21.803 10.877 1.00 0.00 O ATOM 1271 H1 HOH A 424 8.342 21.391 10.721 1.00 0.00 H ATOM 1272 H2 HOH A 424 6.877 21.072 10.933 1.00 0.00 H ATOM 1273 O HOH A 425 11.110 0.251 1.714 1.00 0.00 O ATOM 1274 H1 HOH A 425 10.643 0.006 0.915 1.00 0.00 H ATOM 1275 H2 HOH A 425 11.366 1.162 1.573 1.00 0.00 H ATOM 1276 O HOH A 426 10.615 19.514 8.224 1.00 0.00 O ATOM 1277 H1 HOH A 426 10.812 20.350 7.800 1.00 0.00 H ATOM 1278 H2 HOH A 426 10.804 18.856 7.555 1.00 0.00 H ATOM 1279 O HOH A 427 8.712 16.851 22.679 1.00 0.00 O ATOM 1280 H1 HOH A 427 9.638 16.851 22.920 1.00 0.00 H ATOM 1281 H2 HOH A 427 8.499 17.774 22.542 1.00 0.00 H ATOM 1282 Cl CL A 428 17.734 23.962 20.064 1.00 0.00 Cl ATOM 1283 Du1 CL A 428 16.986 23.442 20.489 1.00 0.00 H ATOM 1284 Du2 CL A 428 18.174 0.059 20.352 1.00 0.00 H ATOM 1285 Na NA A 429 18.649 18.562 0.529 1.00 0.00 Na ATOM 1286 Du1 NA A 429 18.951 18.330 0.229 1.00 0.00 H ATOM 1287 Du2 NA A 429 18.227 19.585 0.357 1.00 0.00 H ATOM 1288 O HOH A 430 12.969 22.222 1.417 1.00 0.00 O ATOM 1289 H1 HOH A 430 12.645 22.369 2.306 1.00 0.00 H ATOM 1290 H2 HOH A 430 12.218 21.863 0.944 1.00 0.00 H ATOM 1291 O HOH A 431 9.446 1.517 3.639 1.00 0.00 O ATOM 1292 H1 HOH A 431 9.864 0.839 3.107 1.00 0.00 H ATOM 1293 H2 HOH A 431 10.035 1.633 4.385 1.00 0.00 H ATOM 1294 O HOH A 432 15.734 3.504 5.117 1.00 0.00 O ATOM 1295 H1 HOH A 432 15.771 4.437 5.330 1.00 0.00 H ATOM 1296 H2 HOH A 432 14.798 3.308 5.060 1.00 0.00 H ATOM 1297 O HOH A 433 11.499 16.167 8.669 1.00 0.00 O ATOM 1298 H1 HOH A 433 11.523 17.117 8.780 1.00 0.00 H ATOM 1299 H2 HOH A 433 11.912 15.822 9.460 1.00 0.00 H ATOM 1300 O HOH A 434 1.158 18.965 3.224 1.00 0.00 O ATOM 1301 H1 HOH A 434 1.332 19.488 2.441 1.00 0.00 H ATOM 1302 H2 HOH A 434 1.229 19.587 3.948 1.00 0.00 H ATOM 1303 O HOH A 435 16.378 1.828 7.499 1.00 0.00 O ATOM 1304 H1 HOH A 435 15.915 2.599 7.828 1.00 0.00 H ATOM 1305 H2 HOH A 435 16.685 2.086 6.630 1.00 0.00 H ATOM 1306 O HOH A 436 6.838 21.557 7.526 1.00 0.00 O ATOM 1307 H1 HOH A 436 6.194 22.144 7.922 1.00 0.00 H ATOM 1308 H2 HOH A 436 6.708 20.721 7.974 1.00 0.00 H ATOM 1309 O HOH A 437 4.638 14.679 1.728 1.00 0.00 O ATOM 1310 H1 HOH A 437 4.995 14.458 2.588 1.00 0.00 H ATOM 1311 H2 HOH A 437 4.398 15.603 1.798 1.00 0.00 H ATOM 1312 O HOH A 438 18.576 16.109 11.348 1.00 0.00 O ATOM 1313 H1 HOH A 438 19.514 16.253 11.476 1.00 0.00 H ATOM 1314 H2 HOH A 438 18.225 16.011 12.232 1.00 0.00 H ATOM 1315 O HOH A 439 13.145 1.702 11.007 1.00 0.00 O ATOM 1316 H1 HOH A 439 12.494 1.103 11.375 1.00 0.00 H ATOM 1317 H2 HOH A 439 13.722 1.141 10.490 1.00 0.00 H ATOM 1318 O HOH A 440 14.606 0.154 9.164 1.00 0.00 O ATOM 1319 H1 HOH A 440 15.410 0.300 8.665 1.00 0.00 H ATOM 1320 H2 HOH A 440 14.061 -0.384 8.589 1.00 0.00 H ATOM 1321 O HOH A 441 17.224 20.648 12.888 1.00 0.00 O ATOM 1322 H1 HOH A 441 17.011 21.581 12.916 1.00 0.00 H ATOM 1323 H2 HOH A 441 18.098 20.612 12.500 1.00 0.00 H ATOM 1324 O HOH A 442 16.066 17.810 2.283 1.00 0.00 O ATOM 1325 H1 HOH A 442 16.456 18.655 2.508 1.00 0.00 H ATOM 1326 H2 HOH A 442 15.206 17.823 2.704 1.00 0.00 H ATOM 1327 O HOH A 443 1.877 21.102 7.936 1.00 0.00 O ATOM 1328 H1 HOH A 443 2.093 22.019 7.767 1.00 0.00 H ATOM 1329 H2 HOH A 443 1.981 20.671 7.087 1.00 0.00 H ATOM 1330 O HOH A 444 7.181 4.469 9.180 1.00 0.00 O ATOM 1331 H1 HOH A 444 7.522 4.718 10.038 1.00 0.00 H ATOM 1332 H2 HOH A 444 6.999 5.301 8.743 1.00 0.00 H ATOM 1333 O HOH A 445 14.167 17.093 4.900 1.00 0.00 O ATOM 1334 H1 HOH A 445 14.096 16.367 4.280 1.00 0.00 H ATOM 1335 H2 HOH A 445 13.315 17.527 4.859 1.00 0.00 H ATOM 1336 O HOH A 446 16.282 15.789 18.096 1.00 0.00 O ATOM 1337 H1 HOH A 446 17.212 16.006 18.042 1.00 0.00 H ATOM 1338 H2 HOH A 446 15.853 16.430 17.528 1.00 0.00 H ATOM 1339 O HOH A 447 9.780 22.899 9.308 1.00 0.00 O ATOM 1340 H1 HOH A 447 9.350 23.671 8.940 1.00 0.00 H ATOM 1341 H2 HOH A 447 9.060 22.330 9.579 1.00 0.00 H ATOM 1342 O HOH A 448 11.880 2.841 0.934 1.00 0.00 O ATOM 1343 H1 HOH A 448 11.353 3.589 0.654 1.00 0.00 H ATOM 1344 H2 HOH A 448 12.343 3.151 1.712 1.00 0.00 H ATOM 1345 O HOH A 449 10.029 3.009 16.652 1.00 0.00 O ATOM 1346 H1 HOH A 449 9.627 3.721 16.154 1.00 0.00 H ATOM 1347 H2 HOH A 449 9.919 2.236 16.098 1.00 0.00 H ATOM 1348 O HOH A 450 7.021 12.614 4.887 1.00 0.00 O ATOM 1349 H1 HOH A 450 7.268 12.465 3.975 1.00 0.00 H ATOM 1350 H2 HOH A 450 6.148 13.003 4.840 1.00 0.00 H ATOM 1351 O HOH A 451 7.240 11.379 0.894 1.00 0.00 O ATOM 1352 H1 HOH A 451 7.881 11.379 0.183 1.00 0.00 H ATOM 1353 H2 HOH A 451 7.751 11.172 1.677 1.00 0.00 H ATOM 1354 O HOH A 452 3.645 15.059 19.516 1.00 0.00 O ATOM 1355 H1 HOH A 452 3.926 14.192 19.224 1.00 0.00 H ATOM 1356 H2 HOH A 452 4.389 15.397 20.015 1.00 0.00 H ATOM 1357 O HOH A 453 5.366 16.133 21.427 1.00 0.00 O ATOM 1358 H1 HOH A 453 5.526 17.046 21.667 1.00 0.00 H ATOM 1359 H2 HOH A 453 5.243 15.683 22.263 1.00 0.00 H ATOM 1360 O HOH A 454 7.870 11.657 15.447 1.00 0.00 O ATOM 1361 H1 HOH A 454 7.273 12.403 15.485 1.00 0.00 H ATOM 1362 H2 HOH A 454 8.097 11.485 16.361 1.00 0.00 H ATOM 1363 O HOH A 455 9.402 12.931 6.717 1.00 0.00 O ATOM 1364 H1 HOH A 455 9.782 12.406 6.012 1.00 0.00 H ATOM 1365 H2 HOH A 455 8.561 13.228 6.369 1.00 0.00 H ATOM 1366 O HOH A 456 8.614 14.599 17.312 1.00 0.00 O ATOM 1367 H1 HOH A 456 8.557 15.190 18.063 1.00 0.00 H ATOM 1368 H2 HOH A 456 9.249 15.013 16.728 1.00 0.00 H ATOM 1369 O HOH A 457 9.447 22.635 3.655 1.00 0.00 O ATOM 1370 H1 HOH A 457 9.637 22.668 2.718 1.00 0.00 H ATOM 1371 H2 HOH A 457 10.304 22.535 4.070 1.00 0.00 H ATOM 1372 O HOH A 458 4.046 5.672 0.838 1.00 0.00 O ATOM 1373 H1 HOH A 458 4.281 5.298 -0.011 1.00 0.00 H ATOM 1374 H2 HOH A 458 4.854 6.079 1.153 1.00 0.00 H ATOM 1375 O HOH A 459 13.626 6.012 7.571 1.00 0.00 O ATOM 1376 H1 HOH A 459 12.831 5.976 7.039 1.00 0.00 H ATOM 1377 H2 HOH A 459 13.738 5.118 7.896 1.00 0.00 H ATOM 1378 O HOH A 460 5.057 7.061 19.430 1.00 0.00 O ATOM 1379 H1 HOH A 460 4.148 6.777 19.329 1.00 0.00 H ATOM 1380 H2 HOH A 460 5.416 7.033 18.543 1.00 0.00 H ATOM 1381 O HOH A 461 7.487 10.931 17.991 1.00 0.00 O ATOM 1382 H1 HOH A 461 6.856 10.243 18.202 1.00 0.00 H ATOM 1383 H2 HOH A 461 8.272 10.698 18.486 1.00 0.00 H ATOM 1384 O HOH A 462 10.383 9.146 0.967 1.00 0.00 O ATOM 1385 H1 HOH A 462 10.053 9.264 0.076 1.00 0.00 H ATOM 1386 H2 HOH A 462 11.134 8.562 0.869 1.00 0.00 H ATOM 1387 O HOH A 463 10.083 10.670 18.891 1.00 0.00 O ATOM 1388 H1 HOH A 463 10.032 9.736 19.098 1.00 0.00 H ATOM 1389 H2 HOH A 463 10.941 10.779 18.481 1.00 0.00 H ATOM 1390 O HOH A 464 15.112 10.759 9.162 1.00 0.00 O ATOM 1391 H1 HOH A 464 15.103 11.147 8.287 1.00 0.00 H ATOM 1392 H2 HOH A 464 15.378 11.475 9.739 1.00 0.00 H ATOM 1393 O HOH A 465 8.928 5.145 21.558 1.00 0.00 O ATOM 1394 H1 HOH A 465 8.094 5.612 21.508 1.00 0.00 H ATOM 1395 H2 HOH A 465 9.126 4.910 20.651 1.00 0.00 H ATOM 1396 O HOH A 466 8.875 8.856 23.314 1.00 0.00 O ATOM 1397 H1 HOH A 466 7.944 8.865 23.535 1.00 0.00 H ATOM 1398 H2 HOH A 466 8.919 8.392 22.478 1.00 0.00 H ATOM 1399 O HOH A 467 10.100 6.902 4.944 1.00 0.00 O ATOM 1400 H1 HOH A 467 9.548 7.542 4.494 1.00 0.00 H ATOM 1401 H2 HOH A 467 10.638 7.425 5.539 1.00 0.00 H ATOM 1402 O HOH A 468 7.215 9.011 20.073 1.00 0.00 O ATOM 1403 H1 HOH A 468 6.556 8.437 19.681 1.00 0.00 H ATOM 1404 H2 HOH A 468 7.879 8.414 20.418 1.00 0.00 H ATOM 1405 O HOH A 469 11.001 5.671 23.030 1.00 0.00 O ATOM 1406 H1 HOH A 469 11.544 4.887 22.949 1.00 0.00 H ATOM 1407 H2 HOH A 469 10.157 5.419 22.655 1.00 0.00 H ATOM 1408 O HOH A 470 4.570 10.284 5.207 1.00 0.00 O ATOM 1409 H1 HOH A 470 4.331 9.570 4.616 1.00 0.00 H ATOM 1410 H2 HOH A 470 4.253 11.074 4.770 1.00 0.00 H ATOM 1411 O HOH A 471 5.687 23.846 5.706 1.00 0.00 O ATOM 1412 H1 HOH A 471 5.766 23.657 6.641 1.00 0.00 H ATOM 1413 H2 HOH A 471 6.578 24.057 5.427 1.00 0.00 H ATOM 1414 O HOH A 472 24.190 16.703 3.104 1.00 0.00 O ATOM 1415 H1 HOH A 472 23.462 16.844 3.709 1.00 0.00 H ATOM 1416 H2 HOH A 472 24.812 17.401 3.311 1.00 0.00 H ATOM 1417 Cl CL A 473 13.542 3.196 8.301 1.00 0.00 Cl ATOM 1418 Du1 CL A 473 13.984 2.753 9.025 1.00 0.00 H ATOM 1419 Du2 CL A 473 12.610 3.107 8.498 1.00 0.00 H ATOM 1420 O HOH A 474 19.636 11.112 4.993 1.00 0.00 O ATOM 1421 H1 HOH A 474 19.799 11.986 4.639 1.00 0.00 H ATOM 1422 H2 HOH A 474 20.153 10.528 4.438 1.00 0.00 H ATOM 1423 O HOH A 475 17.176 8.195 7.837 1.00 0.00 O ATOM 1424 H1 HOH A 475 17.749 8.899 7.533 1.00 0.00 H ATOM 1425 H2 HOH A 475 17.274 8.201 8.789 1.00 0.00 H ATOM 1426 O HOH A 476 2.995 10.998 15.536 1.00 0.00 O ATOM 1427 H1 HOH A 476 3.773 10.948 14.981 1.00 0.00 H ATOM 1428 H2 HOH A 476 2.712 10.089 15.636 1.00 0.00 H ATOM 1429 O HOH A 477 3.591 16.922 3.184 1.00 0.00 O ATOM 1430 H1 HOH A 477 3.849 16.904 4.106 1.00 0.00 H ATOM 1431 H2 HOH A 477 3.153 17.766 3.074 1.00 0.00 H ATOM 1432 O HOH A 478 9.371 7.703 20.863 1.00 0.00 O ATOM 1433 H1 HOH A 478 9.453 6.819 21.221 1.00 0.00 H ATOM 1434 H2 HOH A 478 9.967 7.715 20.114 1.00 0.00 H ATOM 1435 O HOH A 479 6.033 8.393 23.782 1.00 0.00 O ATOM 1436 H1 HOH A 479 5.573 7.936 23.078 1.00 0.00 H ATOM 1437 H2 HOH A 479 5.513 9.182 23.935 1.00 0.00 H ATOM 1438 O HOH A 480 12.617 12.712 18.570 1.00 0.00 O ATOM 1439 H1 HOH A 480 12.769 12.622 17.629 1.00 0.00 H ATOM 1440 H2 HOH A 480 13.318 12.202 18.976 1.00 0.00 H ATOM 1441 O HOH A 481 5.350 14.018 14.406 1.00 0.00 O ATOM 1442 H1 HOH A 481 5.578 14.187 15.320 1.00 0.00 H ATOM 1443 H2 HOH A 481 5.952 13.325 14.133 1.00 0.00 H ATOM 1444 O HOH A 482 8.755 8.907 15.732 1.00 0.00 O ATOM 1445 H1 HOH A 482 9.598 9.198 16.081 1.00 0.00 H ATOM 1446 H2 HOH A 482 8.439 9.649 15.218 1.00 0.00 H ATOM 1447 O HOH A 483 11.816 6.447 2.900 1.00 0.00 O ATOM 1448 H1 HOH A 483 11.622 5.514 2.987 1.00 0.00 H ATOM 1449 H2 HOH A 483 11.453 6.843 3.692 1.00 0.00 H ATOM 1450 O HOH A 484 13.020 10.448 20.884 1.00 0.00 O ATOM 1451 H1 HOH A 484 12.375 10.798 20.270 1.00 0.00 H ATOM 1452 H2 HOH A 484 12.626 10.578 21.746 1.00 0.00 H ATOM 1453 O HOH A 485 5.055 8.367 15.683 1.00 0.00 O ATOM 1454 H1 HOH A 485 4.844 7.439 15.786 1.00 0.00 H ATOM 1455 H2 HOH A 485 5.748 8.384 15.023 1.00 0.00 H ATOM 1456 O HOH A 486 6.622 9.920 6.878 1.00 0.00 O ATOM 1457 H1 HOH A 486 6.069 9.731 7.636 1.00 0.00 H ATOM 1458 H2 HOH A 486 6.014 10.235 6.210 1.00 0.00 H ATOM 1459 O HOH A 487 9.928 10.333 11.825 1.00 0.00 O ATOM 1460 H1 HOH A 487 10.791 10.746 11.822 1.00 0.00 H ATOM 1461 H2 HOH A 487 9.455 10.759 11.110 1.00 0.00 H ATOM 1462 O HOH A 488 8.163 8.014 11.714 1.00 0.00 O ATOM 1463 H1 HOH A 488 8.841 8.427 12.249 1.00 0.00 H ATOM 1464 H2 HOH A 488 8.519 8.025 10.826 1.00 0.00 H ATOM 1465 O HOH A 489 16.326 15.051 14.184 1.00 0.00 O ATOM 1466 H1 HOH A 489 15.923 15.207 13.330 1.00 0.00 H ATOM 1467 H2 HOH A 489 15.717 14.465 14.633 1.00 0.00 H ATOM 1468 O HOH A 490 8.296 16.341 7.811 1.00 0.00 O ATOM 1469 H1 HOH A 490 8.095 16.462 6.883 1.00 0.00 H ATOM 1470 H2 HOH A 490 9.247 16.434 7.865 1.00 0.00 H ATOM 1471 O HOH A 491 11.032 12.076 9.435 1.00 0.00 O ATOM 1472 H1 HOH A 491 10.212 11.795 9.028 1.00 0.00 H ATOM 1473 H2 HOH A 491 11.461 12.610 8.767 1.00 0.00 H ATOM 1474 O HOH A 492 8.745 10.808 8.510 1.00 0.00 O ATOM 1475 H1 HOH A 492 8.063 10.697 7.847 1.00 0.00 H ATOM 1476 H2 HOH A 492 8.324 11.312 9.206 1.00 0.00 H ATOM 1477 O HOH A 493 15.227 8.634 13.018 1.00 0.00 O ATOM 1478 H1 HOH A 493 14.439 8.971 13.443 1.00 0.00 H ATOM 1479 H2 HOH A 493 15.068 8.760 12.082 1.00 0.00 H ATOM 1480 O HOH A 494 11.441 14.219 10.974 1.00 0.00 O ATOM 1481 H1 HOH A 494 10.802 14.919 10.838 1.00 0.00 H ATOM 1482 H2 HOH A 494 11.242 13.577 10.293 1.00 0.00 H ATOM 1483 O HOH A 495 10.996 7.911 18.717 1.00 0.00 O ATOM 1484 H1 HOH A 495 11.881 7.796 19.063 1.00 0.00 H ATOM 1485 H2 HOH A 495 11.124 8.311 17.857 1.00 0.00 H ATOM 1486 O HOH A 496 8.534 9.376 4.836 1.00 0.00 O ATOM 1487 H1 HOH A 496 7.905 9.613 5.518 1.00 0.00 H ATOM 1488 H2 HOH A 496 8.927 10.208 4.573 1.00 0.00 H ATOM 1489 O HOH A 497 17.479 7.705 10.794 1.00 0.00 O ATOM 1490 H1 HOH A 497 18.168 8.111 11.320 1.00 0.00 H ATOM 1491 H2 HOH A 497 17.033 7.112 11.400 1.00 0.00 H ATOM 1492 O HOH A 498 9.926 12.781 12.698 1.00 0.00 O ATOM 1493 H1 HOH A 498 10.169 12.531 13.589 1.00 0.00 H ATOM 1494 H2 HOH A 498 10.756 13.005 12.277 1.00 0.00 H ATOM 1495 O HOH A 499 14.629 15.005 7.169 1.00 0.00 O ATOM 1496 H1 HOH A 499 14.503 15.406 6.309 1.00 0.00 H ATOM 1497 H2 HOH A 499 13.841 14.480 7.307 1.00 0.00 H ATOM 1498 O HOH A 500 7.761 11.753 10.736 1.00 0.00 O ATOM 1499 H1 HOH A 500 8.143 12.627 10.665 1.00 0.00 H ATOM 1500 H2 HOH A 500 8.039 11.438 11.596 1.00 0.00 H ATOM 1501 O HOH A 501 13.381 18.728 13.486 1.00 0.00 O ATOM 1502 H1 HOH A 501 13.864 18.834 12.666 1.00 0.00 H ATOM 1503 H2 HOH A 501 14.059 18.684 14.160 1.00 0.00 H TER 1504 HOH A 501