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 16.596 1.080 1.306 1.00 0.00 O ATOM 2 H1 HOH A 1 16.562 1.974 1.648 1.00 0.00 H ATOM 3 H2 HOH A 1 16.793 0.538 2.070 1.00 0.00 H ATOM 4 O HOH A 2 7.011 4.319 16.037 1.00 0.00 O ATOM 5 H1 HOH A 2 7.065 3.795 16.836 1.00 0.00 H ATOM 6 H2 HOH A 2 6.105 4.219 15.746 1.00 0.00 H ATOM 7 O HOH A 3 8.445 13.791 9.156 1.00 0.00 O ATOM 8 H1 HOH A 3 8.490 12.939 8.723 1.00 0.00 H ATOM 9 H2 HOH A 3 8.761 14.412 8.499 1.00 0.00 H ATOM 10 O HOH A 4 19.187 6.046 8.918 1.00 0.00 O ATOM 11 H1 HOH A 4 18.676 6.801 9.209 1.00 0.00 H ATOM 12 H2 HOH A 4 20.097 6.338 8.967 1.00 0.00 H ATOM 13 O HOH A 5 24.445 24.254 24.659 1.00 0.00 O ATOM 14 H1 HOH A 5 23.862 23.498 24.592 1.00 0.00 H ATOM 15 H2 HOH A 5 25.318 23.900 24.489 1.00 0.00 H ATOM 16 O HOH A 6 18.389 19.579 21.073 1.00 0.00 O ATOM 17 H1 HOH A 6 18.028 18.698 21.173 1.00 0.00 H ATOM 18 H2 HOH A 6 18.060 19.879 20.226 1.00 0.00 H ATOM 19 O HOH A 7 2.564 5.276 3.164 1.00 0.00 O ATOM 20 H1 HOH A 7 1.816 5.292 2.567 1.00 0.00 H ATOM 21 H2 HOH A 7 3.220 5.831 2.743 1.00 0.00 H ATOM 22 O HOH A 8 13.487 1.020 20.577 1.00 0.00 O ATOM 23 H1 HOH A 8 12.746 1.466 20.168 1.00 0.00 H ATOM 24 H2 HOH A 8 13.774 0.382 19.923 1.00 0.00 H ATOM 25 O HOH A 9 6.275 6.079 21.755 1.00 0.00 O ATOM 26 H1 HOH A 9 5.888 5.584 22.477 1.00 0.00 H ATOM 27 H2 HOH A 9 5.538 6.276 21.177 1.00 0.00 H ATOM 28 O HOH A 10 21.517 21.136 5.276 1.00 0.00 O ATOM 29 H1 HOH A 10 21.010 20.707 5.965 1.00 0.00 H ATOM 30 H2 HOH A 10 21.891 20.415 4.769 1.00 0.00 H ATOM 31 O HOH A 11 23.731 23.838 18.025 1.00 0.00 O ATOM 32 H1 HOH A 11 23.117 24.233 18.645 1.00 0.00 H ATOM 33 H2 HOH A 11 24.313 23.308 18.570 1.00 0.00 H ATOM 34 O HOH A 12 5.039 2.587 5.502 1.00 0.00 O ATOM 35 H1 HOH A 12 5.260 2.201 6.349 1.00 0.00 H ATOM 36 H2 HOH A 12 5.835 2.490 4.979 1.00 0.00 H ATOM 37 O HOH A 13 9.430 21.987 18.984 1.00 0.00 O ATOM 38 H1 HOH A 13 8.955 22.501 18.331 1.00 0.00 H ATOM 39 H2 HOH A 13 10.009 22.618 19.412 1.00 0.00 H ATOM 40 O HOH A 14 18.156 1.274 21.481 1.00 0.00 O ATOM 41 H1 HOH A 14 18.408 1.467 22.384 1.00 0.00 H ATOM 42 H2 HOH A 14 17.254 1.587 21.412 1.00 0.00 H ATOM 43 O HOH A 15 5.667 8.797 13.119 1.00 0.00 O ATOM 44 H1 HOH A 15 5.253 9.528 12.661 1.00 0.00 H ATOM 45 H2 HOH A 15 6.082 8.284 12.426 1.00 0.00 H ATOM 46 O HOH A 16 22.977 3.644 19.142 1.00 0.00 O ATOM 47 H1 HOH A 16 23.635 3.337 19.766 1.00 0.00 H ATOM 48 H2 HOH A 16 22.144 3.540 19.601 1.00 0.00 H ATOM 49 O HOH A 17 14.869 8.117 16.181 1.00 0.00 O ATOM 50 H1 HOH A 17 15.728 8.520 16.306 1.00 0.00 H ATOM 51 H2 HOH A 17 14.851 7.392 16.806 1.00 0.00 H ATOM 52 O HOH A 18 5.391 1.876 23.212 1.00 0.00 O ATOM 53 H1 HOH A 18 4.729 2.026 22.538 1.00 0.00 H ATOM 54 H2 HOH A 18 5.384 0.929 23.349 1.00 0.00 H ATOM 55 O HOH A 19 0.737 2.260 13.307 1.00 0.00 O ATOM 56 H1 HOH A 19 0.633 1.345 13.045 1.00 0.00 H ATOM 57 H2 HOH A 19 0.017 2.716 12.872 1.00 0.00 H ATOM 58 O HOH A 20 4.543 9.833 0.860 1.00 0.00 O ATOM 59 H1 HOH A 20 5.069 10.627 0.958 1.00 0.00 H ATOM 60 H2 HOH A 20 5.185 9.136 0.720 1.00 0.00 H ATOM 61 O HOH A 21 24.380 10.555 20.949 1.00 0.00 O ATOM 62 H1 HOH A 21 24.270 11.444 20.612 1.00 0.00 H ATOM 63 H2 HOH A 21 24.770 10.070 20.222 1.00 0.00 H ATOM 64 O HOH A 22 14.119 20.437 17.843 1.00 0.00 O ATOM 65 H1 HOH A 22 14.073 19.813 17.118 1.00 0.00 H ATOM 66 H2 HOH A 22 15.057 20.554 17.999 1.00 0.00 H ATOM 67 O HOH A 23 16.844 14.255 4.221 1.00 0.00 O ATOM 68 H1 HOH A 23 15.935 14.202 3.926 1.00 0.00 H ATOM 69 H2 HOH A 23 17.323 14.593 3.465 1.00 0.00 H ATOM 70 O HOH A 24 23.447 14.651 5.644 1.00 0.00 O ATOM 71 H1 HOH A 24 23.390 15.566 5.367 1.00 0.00 H ATOM 72 H2 HOH A 24 23.999 14.672 6.426 1.00 0.00 H ATOM 73 O HOH A 25 2.694 13.361 21.442 1.00 0.00 O ATOM 74 H1 HOH A 25 2.637 14.143 20.893 1.00 0.00 H ATOM 75 H2 HOH A 25 2.962 12.665 20.842 1.00 0.00 H ATOM 76 Na NA A 26 2.814 1.511 0.673 1.00 0.00 Na ATOM 77 Du NA A 26 2.792 0.801 0.066 1.00 0.00 H ATOM 78 Du NA A 26 2.038 1.594 24.683 1.00 0.00 H ATOM 79 O HOH A 27 21.018 18.924 15.959 1.00 0.00 O ATOM 80 H1 HOH A 27 21.617 19.621 15.691 1.00 0.00 H ATOM 81 H2 HOH A 27 20.415 19.347 16.571 1.00 0.00 H ATOM 82 O HOH A 28 11.868 22.015 4.807 1.00 0.00 O ATOM 83 H1 HOH A 28 11.683 21.120 5.091 1.00 0.00 H ATOM 84 H2 HOH A 28 11.917 22.520 5.619 1.00 0.00 H ATOM 85 O HOH A 29 20.297 1.359 19.669 1.00 0.00 O ATOM 86 H1 HOH A 29 19.509 1.241 20.200 1.00 0.00 H ATOM 87 H2 HOH A 29 20.824 0.579 19.845 1.00 0.00 H ATOM 88 O HOH A 30 21.642 15.337 24.728 1.00 0.00 O ATOM 89 H1 HOH A 30 21.500 16.109 24.180 1.00 0.00 H ATOM 90 H2 HOH A 30 22.253 15.631 25.403 1.00 0.00 H ATOM 91 O HOH A 31 3.352 1.398 21.530 1.00 0.00 O ATOM 92 H1 HOH A 31 2.591 1.838 21.150 1.00 0.00 H ATOM 93 H2 HOH A 31 3.077 0.486 21.627 1.00 0.00 H ATOM 94 O HOH A 32 20.223 4.669 0.032 1.00 0.00 O ATOM 95 H1 HOH A 32 19.603 5.379 0.196 1.00 0.00 H ATOM 96 H2 HOH A 32 20.044 4.029 0.720 1.00 0.00 H ATOM 97 O HOH A 33 9.960 16.132 15.123 1.00 0.00 O ATOM 98 H1 HOH A 33 9.063 15.881 14.904 1.00 0.00 H ATOM 99 H2 HOH A 33 10.078 16.987 14.709 1.00 0.00 H ATOM 100 O HOH A 34 8.728 8.009 2.582 1.00 0.00 O ATOM 101 H1 HOH A 34 8.386 8.459 3.354 1.00 0.00 H ATOM 102 H2 HOH A 34 9.386 8.607 2.227 1.00 0.00 H ATOM 103 O HOH A 35 17.286 16.193 24.899 1.00 0.00 O ATOM 104 H1 HOH A 35 16.475 16.637 24.652 1.00 0.00 H ATOM 105 H2 HOH A 35 17.792 16.859 25.365 1.00 0.00 H ATOM 106 O HOH A 36 23.919 8.376 0.480 1.00 0.00 O ATOM 107 H1 HOH A 36 23.875 9.137 -0.098 1.00 0.00 H ATOM 108 H2 HOH A 36 24.853 8.179 0.547 1.00 0.00 H ATOM 109 O HOH A 37 2.999 16.918 10.880 1.00 0.00 O ATOM 110 H1 HOH A 37 3.735 17.344 10.442 1.00 0.00 H ATOM 111 H2 HOH A 37 2.963 16.043 10.495 1.00 0.00 H ATOM 112 O HOH A 38 2.032 7.038 20.297 1.00 0.00 O ATOM 113 H1 HOH A 38 1.533 6.239 20.467 1.00 0.00 H ATOM 114 H2 HOH A 38 1.395 7.642 19.917 1.00 0.00 H ATOM 115 O HOH A 39 17.546 1.629 18.511 1.00 0.00 O ATOM 116 H1 HOH A 39 17.549 0.672 18.502 1.00 0.00 H ATOM 117 H2 HOH A 39 16.727 1.863 18.947 1.00 0.00 H ATOM 118 O HOH A 40 24.290 17.381 5.705 1.00 0.00 O ATOM 119 H1 HOH A 40 25.130 17.770 5.950 1.00 0.00 H ATOM 120 H2 HOH A 40 23.707 17.589 6.435 1.00 0.00 H ATOM 121 O HOH A 41 15.214 10.708 17.607 1.00 0.00 O ATOM 122 H1 HOH A 41 14.620 10.005 17.867 1.00 0.00 H ATOM 123 H2 HOH A 41 16.014 10.258 17.334 1.00 0.00 H ATOM 124 O HOH A 42 21.822 18.606 0.977 1.00 0.00 O ATOM 125 H1 HOH A 42 21.499 17.927 1.569 1.00 0.00 H ATOM 126 H2 HOH A 42 21.553 18.314 0.106 1.00 0.00 H ATOM 127 O HOH A 43 18.980 6.609 1.625 1.00 0.00 O ATOM 128 H1 HOH A 43 18.291 6.559 2.287 1.00 0.00 H ATOM 129 H2 HOH A 43 19.548 7.319 1.923 1.00 0.00 H ATOM 130 O HOH A 44 0.164 17.382 0.494 1.00 0.00 O ATOM 131 H1 HOH A 44 0.955 16.843 0.496 1.00 0.00 H ATOM 132 H2 HOH A 44 -0.260 17.190 1.331 1.00 0.00 H ATOM 133 Na NA A 45 23.446 3.131 24.301 1.00 0.00 Na ATOM 134 Du NA A 45 22.533 2.184 23.517 1.00 0.00 H ATOM 135 Du NA A 45 23.599 4.206 24.781 1.00 0.00 H ATOM 136 O HOH A 46 23.998 21.229 21.928 1.00 0.00 O ATOM 137 H1 HOH A 46 24.007 20.581 22.632 1.00 0.00 H ATOM 138 H2 HOH A 46 23.181 21.711 22.055 1.00 0.00 H ATOM 139 O HOH A 47 3.227 6.035 16.932 1.00 0.00 O ATOM 140 H1 HOH A 47 3.687 5.499 16.286 1.00 0.00 H ATOM 141 H2 HOH A 47 3.412 5.612 17.771 1.00 0.00 H ATOM 142 O HOH A 48 18.749 13.532 17.093 1.00 0.00 O ATOM 143 H1 HOH A 48 19.380 13.119 17.682 1.00 0.00 H ATOM 144 H2 HOH A 48 18.606 14.402 17.465 1.00 0.00 H ATOM 145 O HOH A 49 21.998 21.234 19.164 1.00 0.00 O ATOM 146 H1 HOH A 49 22.373 20.878 19.970 1.00 0.00 H ATOM 147 H2 HOH A 49 22.022 22.183 19.287 1.00 0.00 H ATOM 148 O HOH A 50 23.583 6.003 3.286 1.00 0.00 O ATOM 149 H1 HOH A 50 24.311 5.890 2.675 1.00 0.00 H ATOM 150 H2 HOH A 50 22.938 5.350 3.014 1.00 0.00 H ATOM 151 O HOH A 51 21.496 22.429 22.491 1.00 0.00 O ATOM 152 H1 HOH A 51 22.298 22.752 22.903 1.00 0.00 H ATOM 153 H2 HOH A 51 20.872 22.346 23.212 1.00 0.00 H ATOM 154 O HOH A 52 21.323 10.613 18.326 1.00 0.00 O ATOM 155 H1 HOH A 52 21.349 10.430 19.265 1.00 0.00 H ATOM 156 H2 HOH A 52 22.226 10.833 18.099 1.00 0.00 H ATOM 157 O HOH A 53 -0.179 15.628 19.160 1.00 0.00 O ATOM 158 H1 HOH A 53 0.131 15.728 20.060 1.00 0.00 H ATOM 159 H2 HOH A 53 0.221 14.813 18.858 1.00 0.00 H ATOM 160 O HOH A 54 15.179 22.794 3.490 1.00 0.00 O ATOM 161 H1 HOH A 54 14.318 23.142 3.256 1.00 0.00 H ATOM 162 H2 HOH A 54 15.003 22.174 4.198 1.00 0.00 H ATOM 163 O HOH A 55 16.491 18.438 6.039 1.00 0.00 O ATOM 164 H1 HOH A 55 17.043 17.676 5.865 1.00 0.00 H ATOM 165 H2 HOH A 55 15.654 18.228 5.624 1.00 0.00 H ATOM 166 O HOH A 56 19.913 17.998 23.167 1.00 0.00 O ATOM 167 H1 HOH A 56 19.212 18.267 22.573 1.00 0.00 H ATOM 168 H2 HOH A 56 20.347 17.275 22.714 1.00 0.00 H ATOM 169 O HOH A 57 17.043 16.988 21.143 1.00 0.00 O ATOM 170 H1 HOH A 57 16.373 16.633 21.727 1.00 0.00 H ATOM 171 H2 HOH A 57 17.065 16.379 20.405 1.00 0.00 H ATOM 172 O HOH A 58 5.757 23.695 23.621 1.00 0.00 O ATOM 173 H1 HOH A 58 6.651 23.675 23.279 1.00 0.00 H ATOM 174 H2 HOH A 58 5.219 23.352 22.906 1.00 0.00 H ATOM 175 O HOH A 59 0.138 15.466 15.282 1.00 0.00 O ATOM 176 H1 HOH A 59 -0.068 15.734 14.386 1.00 0.00 H ATOM 177 H2 HOH A 59 0.783 16.107 15.582 1.00 0.00 H ATOM 178 O HOH A 60 16.510 22.520 6.765 1.00 0.00 O ATOM 179 H1 HOH A 60 17.112 21.929 6.314 1.00 0.00 H ATOM 180 H2 HOH A 60 16.846 23.396 6.575 1.00 0.00 H ATOM 181 O HOH A 61 1.091 22.219 15.552 1.00 0.00 O ATOM 182 H1 HOH A 61 1.509 21.408 15.843 1.00 0.00 H ATOM 183 H2 HOH A 61 1.703 22.909 15.808 1.00 0.00 H ATOM 184 O HOH A 62 23.136 23.747 13.105 1.00 0.00 O ATOM 185 H1 HOH A 62 23.130 24.394 12.400 1.00 0.00 H ATOM 186 H2 HOH A 62 23.497 24.215 13.858 1.00 0.00 H ATOM 187 O HOH A 63 3.129 19.185 21.407 1.00 0.00 O ATOM 188 H1 HOH A 63 3.124 18.993 22.345 1.00 0.00 H ATOM 189 H2 HOH A 63 4.047 19.101 21.150 1.00 0.00 H ATOM 190 O HOH A 64 3.768 7.707 22.245 1.00 0.00 O ATOM 191 H1 HOH A 64 3.685 7.442 21.329 1.00 0.00 H ATOM 192 H2 HOH A 64 2.942 7.440 22.648 1.00 0.00 H ATOM 193 O HOH A 65 6.310 7.201 1.087 1.00 0.00 O ATOM 194 H1 HOH A 65 7.003 7.665 1.556 1.00 0.00 H ATOM 195 H2 HOH A 65 6.215 7.680 0.263 1.00 0.00 H ATOM 196 O HOH A 66 19.957 2.443 1.553 1.00 0.00 O ATOM 197 H1 HOH A 66 19.064 2.321 1.875 1.00 0.00 H ATOM 198 H2 HOH A 66 20.337 1.564 1.558 1.00 0.00 H ATOM 199 O HOH A 67 9.599 24.530 21.313 1.00 0.00 O ATOM 200 H1 HOH A 67 9.677 25.469 21.146 1.00 0.00 H ATOM 201 H2 HOH A 67 10.314 24.137 20.812 1.00 0.00 H ATOM 202 O HOH A 68 14.204 14.391 25.021 1.00 0.00 O ATOM 203 H1 HOH A 68 13.875 13.764 24.376 1.00 0.00 H ATOM 204 H2 HOH A 68 14.392 15.181 24.514 1.00 0.00 H ATOM 205 O HOH A 69 22.608 0.932 8.114 1.00 0.00 O ATOM 206 H1 HOH A 69 22.403 0.017 8.305 1.00 0.00 H ATOM 207 H2 HOH A 69 22.497 1.009 7.166 1.00 0.00 H ATOM 208 O HOH A 70 0.253 0.603 1.719 1.00 0.00 O ATOM 209 H1 HOH A 70 -0.172 0.248 0.938 1.00 0.00 H ATOM 210 H2 HOH A 70 0.556 -0.168 2.198 1.00 0.00 H ATOM 211 O HOH A 71 22.640 20.912 15.467 1.00 0.00 O ATOM 212 H1 HOH A 71 23.210 21.009 14.704 1.00 0.00 H ATOM 213 H2 HOH A 71 23.206 21.103 16.215 1.00 0.00 H ATOM 214 O HOH A 72 17.042 3.059 10.530 1.00 0.00 O ATOM 215 H1 HOH A 72 16.734 3.765 9.963 1.00 0.00 H ATOM 216 H2 HOH A 72 17.880 3.374 10.870 1.00 0.00 H ATOM 217 O HOH A 73 15.628 4.069 1.764 1.00 0.00 O ATOM 218 H1 HOH A 73 15.985 4.920 2.016 1.00 0.00 H ATOM 219 H2 HOH A 73 14.717 4.250 1.533 1.00 0.00 H ATOM 220 O HOH A 74 22.331 14.179 21.865 1.00 0.00 O ATOM 221 H1 HOH A 74 23.230 14.434 21.657 1.00 0.00 H ATOM 222 H2 HOH A 74 22.239 14.361 22.800 1.00 0.00 H ATOM 223 O HOH A 75 0.083 21.945 19.390 1.00 0.00 O ATOM 224 H1 HOH A 75 0.694 21.363 18.938 1.00 0.00 H ATOM 225 H2 HOH A 75 -0.195 21.449 20.160 1.00 0.00 H ATOM 226 O HOH A 76 8.038 2.039 23.350 1.00 0.00 O ATOM 227 H1 HOH A 76 7.705 2.450 24.148 1.00 0.00 H ATOM 228 H2 HOH A 76 7.254 1.748 22.885 1.00 0.00 H ATOM 229 O HOH A 77 17.661 24.754 5.574 1.00 0.00 O ATOM 230 H1 HOH A 77 18.516 24.384 5.354 1.00 0.00 H ATOM 231 H2 HOH A 77 17.236 24.899 4.729 1.00 0.00 H ATOM 232 O HOH A 78 17.094 19.719 8.533 1.00 0.00 O ATOM 233 H1 HOH A 78 16.764 19.385 7.699 1.00 0.00 H ATOM 234 H2 HOH A 78 17.586 20.506 8.299 1.00 0.00 H ATOM 235 O HOH A 79 4.360 21.549 9.418 1.00 0.00 O ATOM 236 H1 HOH A 79 3.464 21.438 9.102 1.00 0.00 H ATOM 237 H2 HOH A 79 4.602 20.689 9.762 1.00 0.00 H ATOM 238 O HOH A 80 4.787 13.920 4.797 1.00 0.00 O ATOM 239 H1 HOH A 80 4.594 14.627 5.412 1.00 0.00 H ATOM 240 H2 HOH A 80 4.422 13.137 5.208 1.00 0.00 H ATOM 241 O HOH A 81 16.828 12.139 0.545 1.00 0.00 O ATOM 242 H1 HOH A 81 17.173 12.292 -0.334 1.00 0.00 H ATOM 243 H2 HOH A 81 16.917 12.982 0.989 1.00 0.00 H ATOM 244 O HOH A 82 18.543 2.395 24.070 1.00 0.00 O ATOM 245 H1 HOH A 82 17.850 3.055 24.031 1.00 0.00 H ATOM 246 H2 HOH A 82 18.586 2.146 24.993 1.00 0.00 H ATOM 247 O HOH A 83 0.902 3.574 21.037 1.00 0.00 O ATOM 248 H1 HOH A 83 1.555 3.330 20.381 1.00 0.00 H ATOM 249 H2 HOH A 83 0.600 4.441 20.765 1.00 0.00 H ATOM 250 O HOH A 84 20.966 16.570 20.973 1.00 0.00 O ATOM 251 H1 HOH A 84 21.495 17.144 20.420 1.00 0.00 H ATOM 252 H2 HOH A 84 21.558 15.859 21.217 1.00 0.00 H ATOM 253 O HOH A 85 16.719 20.673 19.140 1.00 0.00 O ATOM 254 H1 HOH A 85 15.970 20.964 19.661 1.00 0.00 H ATOM 255 H2 HOH A 85 17.017 21.463 18.688 1.00 0.00 H ATOM 256 O HOH A 86 8.256 20.627 5.218 1.00 0.00 O ATOM 257 H1 HOH A 86 7.769 20.958 5.973 1.00 0.00 H ATOM 258 H2 HOH A 86 8.766 21.378 4.914 1.00 0.00 H ATOM 259 O HOH A 87 20.220 3.036 13.314 1.00 0.00 O ATOM 260 H1 HOH A 87 20.573 2.547 14.057 1.00 0.00 H ATOM 261 H2 HOH A 87 20.940 3.602 13.035 1.00 0.00 H ATOM 262 O HOH A 88 22.303 15.321 18.107 1.00 0.00 O ATOM 263 H1 HOH A 88 22.945 15.089 18.778 1.00 0.00 H ATOM 264 H2 HOH A 88 22.775 15.907 17.515 1.00 0.00 H ATOM 265 O HOH A 89 21.586 3.888 3.005 1.00 0.00 O ATOM 266 H1 HOH A 89 21.678 3.438 3.844 1.00 0.00 H ATOM 267 H2 HOH A 89 21.044 3.302 2.476 1.00 0.00 H ATOM 268 O HOH A 90 12.446 23.050 9.839 1.00 0.00 O ATOM 269 H1 HOH A 90 11.911 22.652 10.526 1.00 0.00 H ATOM 270 H2 HOH A 90 12.028 23.894 9.668 1.00 0.00 H ATOM 271 O HOH A 91 0.376 18.615 8.267 1.00 0.00 O ATOM 272 H1 HOH A 91 1.017 19.324 8.206 1.00 0.00 H ATOM 273 H2 HOH A 91 0.640 18.118 9.041 1.00 0.00 H ATOM 274 O HOH A 92 7.287 4.588 19.167 1.00 0.00 O ATOM 275 H1 HOH A 92 7.101 5.309 18.565 1.00 0.00 H ATOM 276 H2 HOH A 92 6.546 4.585 19.773 1.00 0.00 H ATOM 277 O HOH A 93 12.397 3.284 22.660 1.00 0.00 O ATOM 278 H1 HOH A 93 12.794 2.418 22.752 1.00 0.00 H ATOM 279 H2 HOH A 93 12.547 3.521 21.745 1.00 0.00 H ATOM 280 O HOH A 94 18.202 24.159 24.772 1.00 0.00 O ATOM 281 H1 HOH A 94 17.638 24.578 25.423 1.00 0.00 H ATOM 282 H2 HOH A 94 19.013 24.667 24.794 1.00 0.00 H ATOM 283 O HOH A 95 2.917 20.575 1.063 1.00 0.00 O ATOM 284 H1 HOH A 95 3.006 19.650 0.835 1.00 0.00 H ATOM 285 H2 HOH A 95 3.813 20.867 1.234 1.00 0.00 H ATOM 286 O HOH A 96 14.897 0.922 24.092 1.00 0.00 O ATOM 287 H1 HOH A 96 15.262 1.142 24.949 1.00 0.00 H ATOM 288 H2 HOH A 96 14.743 1.768 23.672 1.00 0.00 H ATOM 289 O HOH A 97 16.573 23.458 22.657 1.00 0.00 O ATOM 290 H1 HOH A 97 15.811 24.036 22.706 1.00 0.00 H ATOM 291 H2 HOH A 97 16.982 23.528 23.519 1.00 0.00 H ATOM 292 Cl CL A 98 15.035 14.660 22.009 1.00 0.00 Cl ATOM 293 Du CL A 98 14.444 15.658 21.799 1.00 0.00 H ATOM 294 Du CL A 98 13.810 14.569 21.469 1.00 0.00 H ATOM 295 O HOH A 99 15.525 3.753 24.062 1.00 0.00 O ATOM 296 H1 HOH A 99 15.523 3.809 25.018 1.00 0.00 H ATOM 297 H2 HOH A 99 15.236 4.618 23.770 1.00 0.00 H ATOM 298 O HOH A 100 0.053 1.699 4.320 1.00 0.00 O ATOM 299 H1 HOH A 100 0.257 1.400 3.434 1.00 0.00 H ATOM 300 H2 HOH A 100 0.685 2.398 4.489 1.00 0.00 H ATOM 301 O HOH A 101 21.978 3.650 16.381 1.00 0.00 O ATOM 302 H1 HOH A 101 22.583 3.343 17.056 1.00 0.00 H ATOM 303 H2 HOH A 101 22.419 4.405 15.990 1.00 0.00 H ATOM 304 O HOH A 102 20.598 5.621 4.943 1.00 0.00 O ATOM 305 H1 HOH A 102 20.359 4.808 5.388 1.00 0.00 H ATOM 306 H2 HOH A 102 20.894 5.343 4.077 1.00 0.00 H ATOM 307 O HOH A 103 20.317 13.588 1.483 1.00 0.00 O ATOM 308 H1 HOH A 103 20.676 14.351 1.029 1.00 0.00 H ATOM 309 H2 HOH A 103 20.982 13.362 2.134 1.00 0.00 H ATOM 310 O HOH A 104 24.700 10.924 16.398 1.00 0.00 O ATOM 311 H1 HOH A 104 24.214 10.685 15.609 1.00 0.00 H ATOM 312 H2 HOH A 104 25.616 10.939 16.120 1.00 0.00 H ATOM 313 O HOH A 105 14.564 9.684 5.500 1.00 0.00 O ATOM 314 H1 HOH A 105 14.993 9.304 4.734 1.00 0.00 H ATOM 315 H2 HOH A 105 15.158 10.377 5.789 1.00 0.00 H ATOM 316 O HOH A 106 6.594 20.961 18.619 1.00 0.00 O ATOM 317 H1 HOH A 106 7.550 20.928 18.580 1.00 0.00 H ATOM 318 H2 HOH A 106 6.322 20.043 18.640 1.00 0.00 H ATOM 319 O HOH A 107 18.329 3.717 16.889 1.00 0.00 O ATOM 320 H1 HOH A 107 19.255 3.530 16.735 1.00 0.00 H ATOM 321 H2 HOH A 107 18.087 3.147 17.619 1.00 0.00 H ATOM 322 O HOH A 108 3.037 24.009 16.390 1.00 0.00 O ATOM 323 H1 HOH A 108 3.886 23.614 16.590 1.00 0.00 H ATOM 324 H2 HOH A 108 2.833 24.542 17.159 1.00 0.00 H ATOM 325 O HOH A 109 1.080 2.490 23.813 1.00 0.00 O ATOM 326 H1 HOH A 109 0.512 1.720 23.809 1.00 0.00 H ATOM 327 H2 HOH A 109 1.370 2.579 22.905 1.00 0.00 H ATOM 328 O HOH A 110 19.266 22.722 4.383 1.00 0.00 O ATOM 329 H1 HOH A 110 20.206 22.566 4.470 1.00 0.00 H ATOM 330 H2 HOH A 110 18.858 22.009 4.873 1.00 0.00 H ATOM 331 O HOH A 111 21.620 7.423 9.498 1.00 0.00 O ATOM 332 H1 HOH A 111 22.430 6.928 9.372 1.00 0.00 H ATOM 333 H2 HOH A 111 21.907 8.273 9.830 1.00 0.00 H ATOM 334 O HOH A 112 21.319 7.960 14.131 1.00 0.00 O ATOM 335 H1 HOH A 112 20.666 7.402 14.553 1.00 0.00 H ATOM 336 H2 HOH A 112 20.820 8.706 13.799 1.00 0.00 H ATOM 337 O HOH A 113 0.947 13.182 17.581 1.00 0.00 O ATOM 338 H1 HOH A 113 1.778 13.048 18.037 1.00 0.00 H ATOM 339 H2 HOH A 113 1.093 12.826 16.705 1.00 0.00 H ATOM 340 O HOH A 114 20.555 4.762 22.159 1.00 0.00 O ATOM 341 H1 HOH A 114 20.602 5.689 21.926 1.00 0.00 H ATOM 342 H2 HOH A 114 19.946 4.731 22.898 1.00 0.00 H ATOM 343 O HOH A 115 24.369 21.398 13.495 1.00 0.00 O ATOM 344 H1 HOH A 115 23.868 22.179 13.261 1.00 0.00 H ATOM 345 H2 HOH A 115 24.972 21.695 14.177 1.00 0.00 H ATOM 346 O HOH A 116 1.494 8.183 7.495 1.00 0.00 O ATOM 347 H1 HOH A 116 0.677 7.903 7.908 1.00 0.00 H ATOM 348 H2 HOH A 116 1.448 7.828 6.607 1.00 0.00 H ATOM 349 O HOH A 117 21.217 2.379 23.042 1.00 0.00 O ATOM 350 H1 HOH A 117 20.288 2.377 23.274 1.00 0.00 H ATOM 351 H2 HOH A 117 21.315 3.126 22.452 1.00 0.00 H ATOM 352 O HOH A 118 2.260 17.580 19.356 1.00 0.00 O ATOM 353 H1 HOH A 118 2.949 16.917 19.403 1.00 0.00 H ATOM 354 H2 HOH A 118 2.422 18.148 20.109 1.00 0.00 H ATOM 355 O HOH A 119 2.432 2.942 4.478 1.00 0.00 O ATOM 356 H1 HOH A 119 2.558 3.780 4.034 1.00 0.00 H ATOM 357 H2 HOH A 119 3.270 2.768 4.906 1.00 0.00 H ATOM 358 O HOH A 120 7.188 23.378 21.333 1.00 0.00 O ATOM 359 H1 HOH A 120 8.077 23.733 21.353 1.00 0.00 H ATOM 360 H2 HOH A 120 6.687 24.014 20.823 1.00 0.00 H ATOM 361 O HOH A 121 1.237 24.531 20.777 1.00 0.00 O ATOM 362 H1 HOH A 121 0.391 24.959 20.911 1.00 0.00 H ATOM 363 H2 HOH A 121 1.015 23.641 20.505 1.00 0.00 H ATOM 364 O HOH A 122 16.890 12.436 21.820 1.00 0.00 O ATOM 365 H1 HOH A 122 17.556 13.061 22.108 1.00 0.00 H ATOM 366 H2 HOH A 122 16.073 12.934 21.831 1.00 0.00 H ATOM 367 O HOH A 123 15.691 2.762 20.511 1.00 0.00 O ATOM 368 H1 HOH A 123 15.247 2.696 19.666 1.00 0.00 H ATOM 369 H2 HOH A 123 15.205 2.170 21.085 1.00 0.00 H ATOM 370 O HOH A 124 0.877 22.679 2.989 1.00 0.00 O ATOM 371 H1 HOH A 124 1.554 23.275 3.309 1.00 0.00 H ATOM 372 H2 HOH A 124 1.307 22.177 2.297 1.00 0.00 H ATOM 373 O HOH A 125 18.644 0.052 8.193 1.00 0.00 O ATOM 374 H1 HOH A 125 17.894 0.410 7.718 1.00 0.00 H ATOM 375 H2 HOH A 125 19.280 0.767 8.212 1.00 0.00 H ATOM 376 O HOH A 126 14.681 15.051 2.491 1.00 0.00 O ATOM 377 H1 HOH A 126 14.433 14.737 1.621 1.00 0.00 H ATOM 378 H2 HOH A 126 15.585 15.348 2.390 1.00 0.00 H ATOM 379 O HOH A 127 7.882 13.871 1.963 1.00 0.00 O ATOM 380 H1 HOH A 127 8.810 13.640 2.003 1.00 0.00 H ATOM 381 H2 HOH A 127 7.853 14.793 2.220 1.00 0.00 H ATOM 382 O HOH A 128 0.499 5.867 17.192 1.00 0.00 O ATOM 383 H1 HOH A 128 0.540 5.325 17.980 1.00 0.00 H ATOM 384 H2 HOH A 128 1.414 6.053 16.981 1.00 0.00 H ATOM 385 Cl CL A 129 23.726 0.735 22.091 1.00 0.00 Cl ATOM 386 Du CL A 129 23.579 1.218 23.371 1.00 0.00 H ATOM 387 Du CL A 129 23.414 1.713 22.051 1.00 0.00 H ATOM 388 O HOH A 130 17.658 4.024 13.680 1.00 0.00 O ATOM 389 H1 HOH A 130 18.581 3.803 13.804 1.00 0.00 H ATOM 390 H2 HOH A 130 17.285 3.259 13.241 1.00 0.00 H ATOM 391 O HOH A 131 18.437 13.994 23.510 1.00 0.00 O ATOM 392 H1 HOH A 131 18.974 14.675 23.104 1.00 0.00 H ATOM 393 H2 HOH A 131 17.602 14.424 23.693 1.00 0.00 H ATOM 394 O HOH A 132 1.624 21.785 22.561 1.00 0.00 O ATOM 395 H1 HOH A 132 0.747 21.481 22.327 1.00 0.00 H ATOM 396 H2 HOH A 132 2.216 21.171 22.127 1.00 0.00 H ATOM 397 O HOH A 133 1.418 3.383 7.681 1.00 0.00 O ATOM 398 H1 HOH A 133 0.943 2.872 7.026 1.00 0.00 H ATOM 399 H2 HOH A 133 2.038 3.907 7.174 1.00 0.00 H ATOM 400 O HOH A 134 5.334 1.385 1.745 1.00 0.00 O ATOM 401 H1 HOH A 134 4.902 1.893 2.431 1.00 0.00 H ATOM 402 H2 HOH A 134 6.101 1.006 2.174 1.00 0.00 H ATOM 403 O HOH A 135 5.353 17.273 12.665 1.00 0.00 O ATOM 404 H1 HOH A 135 4.410 17.405 12.566 1.00 0.00 H ATOM 405 H2 HOH A 135 5.469 17.060 13.591 1.00 0.00 H ATOM 406 O HOH A 136 18.667 24.347 15.515 1.00 0.00 O ATOM 407 H1 HOH A 136 17.750 24.621 15.527 1.00 0.00 H ATOM 408 H2 HOH A 136 19.152 25.118 15.810 1.00 0.00 H ATOM 409 O HOH A 137 8.207 24.431 5.123 1.00 0.00 O ATOM 410 H1 HOH A 137 8.656 23.709 4.686 1.00 0.00 H ATOM 411 H2 HOH A 137 8.294 25.169 4.520 1.00 0.00 H ATOM 412 O HOH A 138 3.692 23.250 22.173 1.00 0.00 O ATOM 413 H1 HOH A 138 2.880 22.882 22.521 1.00 0.00 H ATOM 414 H2 HOH A 138 3.895 22.706 21.412 1.00 0.00 H ATOM 415 O HOH A 139 24.439 24.473 15.549 1.00 0.00 O ATOM 416 H1 HOH A 139 24.011 24.315 16.390 1.00 0.00 H ATOM 417 H2 HOH A 139 25.047 23.741 15.447 1.00 0.00 H ATOM 418 O HOH A 140 22.999 5.569 24.840 1.00 0.00 O ATOM 419 H1 HOH A 140 22.047 5.549 24.932 1.00 0.00 H ATOM 420 H2 HOH A 140 23.223 6.500 24.862 1.00 0.00 H ATOM 421 O HOH A 141 4.290 7.863 3.265 1.00 0.00 O ATOM 422 H1 HOH A 141 5.072 7.657 3.778 1.00 0.00 H ATOM 423 H2 HOH A 141 4.132 8.792 3.430 1.00 0.00 H ATOM 424 O HOH A 142 18.928 16.472 18.979 1.00 0.00 O ATOM 425 H1 HOH A 142 19.244 16.535 19.881 1.00 0.00 H ATOM 426 H2 HOH A 142 19.468 17.093 18.491 1.00 0.00 H ATOM 427 O HOH A 143 5.345 23.063 12.236 1.00 0.00 O ATOM 428 H1 HOH A 143 4.932 22.425 11.654 1.00 0.00 H ATOM 429 H2 HOH A 143 6.152 23.312 11.785 1.00 0.00 H ATOM 430 O HOH A 144 8.665 4.346 13.835 1.00 0.00 O ATOM 431 H1 HOH A 144 8.893 5.275 13.798 1.00 0.00 H ATOM 432 H2 HOH A 144 8.301 4.223 14.711 1.00 0.00 H ATOM 433 Na NA A 145 18.889 21.757 22.197 1.00 0.00 Na ATOM 434 Du NA A 145 18.110 22.582 22.702 1.00 0.00 H ATOM 435 Du NA A 145 18.795 21.006 22.225 1.00 0.00 H ATOM 436 O HOH A 146 5.432 22.688 16.937 1.00 0.00 O ATOM 437 H1 HOH A 146 6.143 23.319 16.822 1.00 0.00 H ATOM 438 H2 HOH A 146 5.855 21.917 17.316 1.00 0.00 H ATOM 439 O HOH A 147 2.124 23.801 25.000 1.00 0.00 O ATOM 440 H1 HOH A 147 3.048 23.809 25.250 1.00 0.00 H ATOM 441 H2 HOH A 147 2.054 23.093 24.360 1.00 0.00 H ATOM 442 O HOH A 148 18.324 6.845 23.019 1.00 0.00 O ATOM 443 H1 HOH A 148 17.707 7.235 23.638 1.00 0.00 H ATOM 444 H2 HOH A 148 17.785 6.278 22.468 1.00 0.00 H ATOM 445 Cl CL A 149 23.042 17.405 23.422 1.00 0.00 Cl ATOM 446 Du CL A 149 23.279 18.091 22.798 1.00 0.00 H ATOM 447 Du CL A 149 23.802 17.331 23.999 1.00 0.00 H ATOM 448 O HOH A 150 20.945 11.007 0.692 1.00 0.00 O ATOM 449 H1 HOH A 150 21.698 11.342 1.179 1.00 0.00 H ATOM 450 H2 HOH A 150 20.516 11.789 0.345 1.00 0.00 H ATOM 451 O HOH A 151 20.551 1.342 16.794 1.00 0.00 O ATOM 452 H1 HOH A 151 21.249 1.988 16.898 1.00 0.00 H ATOM 453 H2 HOH A 151 20.152 1.278 17.662 1.00 0.00 H ATOM 454 O HOH A 152 21.226 7.715 24.195 1.00 0.00 O ATOM 455 H1 HOH A 152 20.329 7.653 23.868 1.00 0.00 H ATOM 456 H2 HOH A 152 21.206 8.448 24.811 1.00 0.00 H ATOM 457 Na NA A 153 5.500 18.286 18.723 1.00 0.00 Na ATOM 458 Du NA A 153 6.427 18.250 18.491 1.00 0.00 H ATOM 459 Du NA A 153 5.060 17.788 18.033 1.00 0.00 H ATOM 460 O HOH A 154 21.941 24.070 20.348 1.00 0.00 O ATOM 461 H1 HOH A 154 22.473 24.777 20.712 1.00 0.00 H ATOM 462 H2 HOH A 154 21.580 23.623 21.113 1.00 0.00 H ATOM 463 O HOH A 155 5.389 23.861 8.542 1.00 0.00 O ATOM 464 H1 HOH A 155 5.423 23.082 9.098 1.00 0.00 H ATOM 465 H2 HOH A 155 4.462 24.097 8.517 1.00 0.00 H ATOM 466 O HOH A 156 3.917 16.179 6.555 1.00 0.00 O ATOM 467 H1 HOH A 156 4.468 16.952 6.435 1.00 0.00 H ATOM 468 H2 HOH A 156 3.412 16.365 7.346 1.00 0.00 H ATOM 469 O HOH A 157 24.087 20.627 10.900 1.00 0.00 O ATOM 470 H1 HOH A 157 24.322 20.538 11.824 1.00 0.00 H ATOM 471 H2 HOH A 157 23.647 21.476 10.846 1.00 0.00 H ATOM 472 O HOH A 158 5.737 21.036 4.614 1.00 0.00 O ATOM 473 H1 HOH A 158 5.640 21.726 5.269 1.00 0.00 H ATOM 474 H2 HOH A 158 6.617 20.689 4.759 1.00 0.00 H ATOM 475 O HOH A 159 20.292 22.347 14.342 1.00 0.00 O ATOM 476 H1 HOH A 159 21.123 22.155 14.776 1.00 0.00 H ATOM 477 H2 HOH A 159 19.717 22.645 15.047 1.00 0.00 H ATOM 478 O HOH A 160 0.999 20.822 5.292 1.00 0.00 O ATOM 479 H1 HOH A 160 0.217 20.993 5.816 1.00 0.00 H ATOM 480 H2 HOH A 160 1.088 21.594 4.733 1.00 0.00 H ATOM 481 O HOH A 161 17.980 22.231 8.936 1.00 0.00 O ATOM 482 H1 HOH A 161 17.066 22.298 9.213 1.00 0.00 H ATOM 483 H2 HOH A 161 18.107 22.974 8.346 1.00 0.00 H ATOM 484 O HOH A 162 3.270 1.117 8.879 1.00 0.00 O ATOM 485 H1 HOH A 162 2.607 1.805 8.819 1.00 0.00 H ATOM 486 H2 HOH A 162 3.484 1.071 9.810 1.00 0.00 H ATOM 487 O HOH A 163 17.730 18.437 16.908 1.00 0.00 O ATOM 488 H1 HOH A 163 18.322 19.173 17.062 1.00 0.00 H ATOM 489 H2 HOH A 163 17.001 18.585 17.511 1.00 0.00 H ATOM 490 O HOH A 164 8.916 8.284 9.072 1.00 0.00 O ATOM 491 H1 HOH A 164 8.940 9.240 9.123 1.00 0.00 H ATOM 492 H2 HOH A 164 8.060 8.085 8.692 1.00 0.00 H ATOM 493 O HOH A 165 3.601 25.246 11.409 1.00 0.00 O ATOM 494 H1 HOH A 165 4.257 24.606 11.685 1.00 0.00 H ATOM 495 H2 HOH A 165 2.768 24.879 11.705 1.00 0.00 H ATOM 496 O HOH A 166 7.822 0.228 8.903 1.00 0.00 O ATOM 497 H1 HOH A 166 7.178 -0.424 9.180 1.00 0.00 H ATOM 498 H2 HOH A 166 7.401 0.687 8.176 1.00 0.00 H ATOM 499 O HOH A 167 10.974 23.779 15.788 1.00 0.00 O ATOM 500 H1 HOH A 167 10.238 24.389 15.819 1.00 0.00 H ATOM 501 H2 HOH A 167 11.248 23.780 14.870 1.00 0.00 H ATOM 502 O HOH A 168 5.800 2.191 8.000 1.00 0.00 O ATOM 503 H1 HOH A 168 6.274 2.510 8.768 1.00 0.00 H ATOM 504 H2 HOH A 168 5.000 1.804 8.354 1.00 0.00 H ATOM 505 O HOH A 169 2.503 2.727 11.026 1.00 0.00 O ATOM 506 H1 HOH A 169 3.331 3.093 10.715 1.00 0.00 H ATOM 507 H2 HOH A 169 2.750 1.913 11.464 1.00 0.00 H ATOM 508 O HOH A 170 7.551 4.981 4.740 1.00 0.00 O ATOM 509 H1 HOH A 170 8.245 5.393 4.224 1.00 0.00 H ATOM 510 H2 HOH A 170 8.017 4.462 5.396 1.00 0.00 H ATOM 511 O HOH A 171 5.221 21.657 1.877 1.00 0.00 O ATOM 512 H1 HOH A 171 5.742 22.460 1.880 1.00 0.00 H ATOM 513 H2 HOH A 171 5.462 21.211 2.689 1.00 0.00 H ATOM 514 O HOH A 172 4.511 16.705 16.186 1.00 0.00 O ATOM 515 H1 HOH A 172 5.173 16.036 16.355 1.00 0.00 H ATOM 516 H2 HOH A 172 3.937 16.314 15.527 1.00 0.00 H ATOM 517 O HOH A 173 24.674 0.658 11.053 1.00 0.00 O ATOM 518 H1 HOH A 173 25.073 0.617 10.184 1.00 0.00 H ATOM 519 H2 HOH A 173 24.268 1.524 11.089 1.00 0.00 H ATOM 520 O HOH A 174 21.889 17.250 4.155 1.00 0.00 O ATOM 521 H1 HOH A 174 20.987 17.060 3.897 1.00 0.00 H ATOM 522 H2 HOH A 174 21.896 17.136 5.106 1.00 0.00 H ATOM 523 O HOH A 175 22.651 22.207 0.101 1.00 0.00 O ATOM 524 H1 HOH A 175 22.993 21.327 -0.058 1.00 0.00 H ATOM 525 H2 HOH A 175 22.740 22.332 1.045 1.00 0.00 H ATOM 526 O HOH A 176 5.350 18.287 6.061 1.00 0.00 O ATOM 527 H1 HOH A 176 6.083 17.889 5.591 1.00 0.00 H ATOM 528 H2 HOH A 176 5.409 19.219 5.851 1.00 0.00 H ATOM 529 O HOH A 177 3.339 6.876 12.206 1.00 0.00 O ATOM 530 H1 HOH A 177 3.508 6.481 13.061 1.00 0.00 H ATOM 531 H2 HOH A 177 4.113 6.659 11.685 1.00 0.00 H ATOM 532 O HOH A 178 24.976 5.368 5.985 1.00 0.00 O ATOM 533 H1 HOH A 178 24.213 5.394 5.406 1.00 0.00 H ATOM 534 H2 HOH A 178 25.543 6.070 5.666 1.00 0.00 H ATOM 535 O HOH A 179 8.977 22.420 1.050 1.00 0.00 O ATOM 536 H1 HOH A 179 8.123 22.421 0.618 1.00 0.00 H ATOM 537 H2 HOH A 179 9.528 22.972 0.495 1.00 0.00 H ATOM 538 O HOH A 180 17.651 11.258 12.558 1.00 0.00 O ATOM 539 H1 HOH A 180 17.966 11.924 13.169 1.00 0.00 H ATOM 540 H2 HOH A 180 18.443 10.925 12.138 1.00 0.00 H ATOM 541 O HOH A 181 15.327 5.896 13.816 1.00 0.00 O ATOM 542 H1 HOH A 181 15.628 6.778 13.597 1.00 0.00 H ATOM 543 H2 HOH A 181 15.708 5.337 13.139 1.00 0.00 H ATOM 544 O HOH A 182 18.109 20.651 5.816 1.00 0.00 O ATOM 545 H1 HOH A 182 18.835 20.483 6.417 1.00 0.00 H ATOM 546 H2 HOH A 182 17.753 19.784 5.622 1.00 0.00 H ATOM 547 O HOH A 183 18.426 18.694 10.701 1.00 0.00 O ATOM 548 H1 HOH A 183 18.389 17.755 10.887 1.00 0.00 H ATOM 549 H2 HOH A 183 17.574 18.896 10.316 1.00 0.00 H ATOM 550 O HOH A 184 16.202 0.319 15.815 1.00 0.00 O ATOM 551 H1 HOH A 184 15.363 -0.137 15.890 1.00 0.00 H ATOM 552 H2 HOH A 184 15.973 1.248 15.840 1.00 0.00 H ATOM 553 O HOH A 185 7.581 16.406 2.434 1.00 0.00 O ATOM 554 H1 HOH A 185 7.815 17.125 1.848 1.00 0.00 H ATOM 555 H2 HOH A 185 6.627 16.451 2.501 1.00 0.00 H ATOM 556 O HOH A 186 21.616 22.655 10.882 1.00 0.00 O ATOM 557 H1 HOH A 186 21.110 23.359 11.289 1.00 0.00 H ATOM 558 H2 HOH A 186 21.038 21.893 10.917 1.00 0.00 H ATOM 559 O HOH A 187 15.253 21.673 0.061 1.00 0.00 O ATOM 560 H1 HOH A 187 14.616 22.371 0.219 1.00 0.00 H ATOM 561 H2 HOH A 187 14.857 20.894 0.451 1.00 0.00 H ATOM 562 Na NA A 188 22.697 14.245 15.857 1.00 0.00 Na ATOM 563 Du NA A 188 21.883 14.138 15.590 1.00 0.00 H ATOM 564 Du NA A 188 23.473 13.990 15.032 1.00 0.00 H ATOM 565 O HOH A 189 1.927 23.372 12.538 1.00 0.00 O ATOM 566 H1 HOH A 189 0.977 23.417 12.652 1.00 0.00 H ATOM 567 H2 HOH A 189 2.105 22.446 12.372 1.00 0.00 H ATOM 568 O HOH A 190 17.516 23.963 2.726 1.00 0.00 O ATOM 569 H1 HOH A 190 16.655 23.573 2.881 1.00 0.00 H ATOM 570 H2 HOH A 190 18.086 23.552 3.376 1.00 0.00 H ATOM 571 O HOH A 191 3.898 5.343 6.222 1.00 0.00 O ATOM 572 H1 HOH A 191 3.615 5.757 5.407 1.00 0.00 H ATOM 573 H2 HOH A 191 4.437 4.603 5.941 1.00 0.00 H ATOM 574 O HOH A 192 23.681 14.096 9.970 1.00 0.00 O ATOM 575 H1 HOH A 192 24.183 13.540 10.567 1.00 0.00 H ATOM 576 H2 HOH A 192 23.985 13.846 9.097 1.00 0.00 H ATOM 577 O HOH A 193 16.884 14.613 10.156 1.00 0.00 O ATOM 578 H1 HOH A 193 17.371 15.312 10.593 1.00 0.00 H ATOM 579 H2 HOH A 193 16.180 15.065 9.691 1.00 0.00 H ATOM 580 O HOH A 194 20.311 4.190 19.493 1.00 0.00 O ATOM 581 H1 HOH A 194 20.226 3.272 19.235 1.00 0.00 H ATOM 582 H2 HOH A 194 20.255 4.177 20.449 1.00 0.00 H ATOM 583 O HOH A 195 0.290 24.729 6.515 1.00 0.00 O ATOM 584 H1 HOH A 195 -0.258 23.968 6.327 1.00 0.00 H ATOM 585 H2 HOH A 195 0.097 25.345 5.808 1.00 0.00 H ATOM 586 O HOH A 196 19.919 20.703 10.173 1.00 0.00 O ATOM 587 H1 HOH A 196 19.527 19.850 10.358 1.00 0.00 H ATOM 588 H2 HOH A 196 19.278 21.146 9.616 1.00 0.00 H ATOM 589 O HOH A 197 6.195 15.990 9.869 1.00 0.00 O ATOM 590 H1 HOH A 197 6.695 15.347 10.373 1.00 0.00 H ATOM 591 H2 HOH A 197 6.814 16.316 9.215 1.00 0.00 H ATOM 592 O HOH A 198 0.701 1.720 15.899 1.00 0.00 O ATOM 593 H1 HOH A 198 0.782 2.100 15.024 1.00 0.00 H ATOM 594 H2 HOH A 198 0.427 0.816 15.743 1.00 0.00 H ATOM 595 O HOH A 199 2.257 14.229 11.779 1.00 0.00 O ATOM 596 H1 HOH A 199 2.124 13.449 12.318 1.00 0.00 H ATOM 597 H2 HOH A 199 1.374 14.549 11.599 1.00 0.00 H ATOM 598 O HOH A 200 21.758 23.246 8.395 1.00 0.00 O ATOM 599 H1 HOH A 200 20.849 22.985 8.247 1.00 0.00 H ATOM 600 H2 HOH A 200 21.937 22.993 9.300 1.00 0.00 H ATOM 601 O HOH A 201 20.696 4.630 11.080 1.00 0.00 O ATOM 602 H1 HOH A 201 21.234 4.704 11.869 1.00 0.00 H ATOM 603 H2 HOH A 201 20.330 5.506 10.956 1.00 0.00 H ATOM 604 O HOH A 202 19.720 20.423 17.949 1.00 0.00 O ATOM 605 H1 HOH A 202 19.108 21.097 17.653 1.00 0.00 H ATOM 606 H2 HOH A 202 20.436 20.911 18.357 1.00 0.00 H ATOM 607 O HOH A 203 8.561 21.893 14.615 1.00 0.00 O ATOM 608 H1 HOH A 203 8.909 21.363 15.332 1.00 0.00 H ATOM 609 H2 HOH A 203 9.128 21.692 13.871 1.00 0.00 H ATOM 610 O HOH A 204 17.476 6.294 18.870 1.00 0.00 O ATOM 611 H1 HOH A 204 17.582 7.237 18.996 1.00 0.00 H ATOM 612 H2 HOH A 204 18.148 6.060 18.231 1.00 0.00 H ATOM 613 O HOH A 205 19.425 17.074 2.962 1.00 0.00 O ATOM 614 H1 HOH A 205 19.176 17.859 2.475 1.00 0.00 H ATOM 615 H2 HOH A 205 18.745 16.978 3.628 1.00 0.00 H ATOM 616 Cl CL A 206 3.783 4.223 19.417 1.00 0.00 Cl ATOM 617 Du CL A 206 3.136 3.842 18.697 1.00 0.00 H ATOM 618 Du CL A 206 3.196 4.116 19.668 1.00 0.00 H ATOM 619 O HOH A 207 2.798 12.775 0.790 1.00 0.00 O ATOM 620 H1 HOH A 207 3.488 12.125 0.924 1.00 0.00 H ATOM 621 H2 HOH A 207 2.764 13.261 1.614 1.00 0.00 H ATOM 622 O HOH A 208 11.438 6.905 8.862 1.00 0.00 O ATOM 623 H1 HOH A 208 11.522 6.134 9.423 1.00 0.00 H ATOM 624 H2 HOH A 208 10.529 7.184 8.973 1.00 0.00 H ATOM 625 O HOH A 209 1.688 5.642 23.117 1.00 0.00 O ATOM 626 H1 HOH A 209 1.999 5.653 24.022 1.00 0.00 H ATOM 627 H2 HOH A 209 1.823 4.740 22.828 1.00 0.00 H ATOM 628 O HOH A 210 17.077 0.318 10.864 1.00 0.00 O ATOM 629 H1 HOH A 210 17.069 1.273 10.803 1.00 0.00 H ATOM 630 H2 HOH A 210 17.338 0.024 9.991 1.00 0.00 H ATOM 631 O HOH A 211 8.784 14.941 11.566 1.00 0.00 O ATOM 632 H1 HOH A 211 8.650 14.623 10.673 1.00 0.00 H ATOM 633 H2 HOH A 211 9.188 14.205 12.025 1.00 0.00 H ATOM 634 O HOH A 212 1.960 10.704 22.633 1.00 0.00 O ATOM 635 H1 HOH A 212 2.597 11.394 22.444 1.00 0.00 H ATOM 636 H2 HOH A 212 2.327 9.920 22.224 1.00 0.00 H ATOM 637 O HOH A 213 2.809 24.603 3.886 1.00 0.00 O ATOM 638 H1 HOH A 213 2.480 25.374 4.348 1.00 0.00 H ATOM 639 H2 HOH A 213 3.561 24.317 4.403 1.00 0.00 H ATOM 640 O HOH A 214 9.843 5.397 11.368 1.00 0.00 O ATOM 641 H1 HOH A 214 9.416 4.801 11.983 1.00 0.00 H ATOM 642 H2 HOH A 214 10.205 6.091 11.919 1.00 0.00 H ATOM 643 O HOH A 215 22.473 4.822 13.109 1.00 0.00 O ATOM 644 H1 HOH A 215 23.201 4.620 12.521 1.00 0.00 H ATOM 645 H2 HOH A 215 22.885 5.236 13.867 1.00 0.00 H ATOM 646 O HOH A 216 19.750 24.314 11.969 1.00 0.00 O ATOM 647 H1 HOH A 216 18.877 24.488 11.618 1.00 0.00 H ATOM 648 H2 HOH A 216 19.611 24.194 12.909 1.00 0.00 H ATOM 649 O HOH A 217 12.709 21.249 7.801 1.00 0.00 O ATOM 650 H1 HOH A 217 12.755 20.569 8.473 1.00 0.00 H ATOM 651 H2 HOH A 217 12.578 22.061 8.291 1.00 0.00 H ATOM 652 O HOH A 218 23.768 22.364 6.306 1.00 0.00 O ATOM 653 H1 HOH A 218 23.075 21.886 5.850 1.00 0.00 H ATOM 654 H2 HOH A 218 23.439 22.471 7.198 1.00 0.00 H ATOM 655 O HOH A 219 1.858 8.609 13.682 1.00 0.00 O ATOM 656 H1 HOH A 219 1.246 8.145 13.110 1.00 0.00 H ATOM 657 H2 HOH A 219 2.721 8.295 13.414 1.00 0.00 H ATOM 658 O HOH A 220 23.286 22.565 2.810 1.00 0.00 O ATOM 659 H1 HOH A 220 24.238 22.642 2.882 1.00 0.00 H ATOM 660 H2 HOH A 220 23.085 21.707 3.183 1.00 0.00 H ATOM 661 O HOH A 221 7.408 3.144 0.633 1.00 0.00 O ATOM 662 H1 HOH A 221 7.970 3.417 1.358 1.00 0.00 H ATOM 663 H2 HOH A 221 6.820 2.494 1.016 1.00 0.00 H ATOM 664 O HOH A 222 4.467 4.241 10.053 1.00 0.00 O ATOM 665 H1 HOH A 222 4.110 5.067 9.726 1.00 0.00 H ATOM 666 H2 HOH A 222 5.398 4.279 9.833 1.00 0.00 H ATOM 667 O HOH A 223 3.385 15.668 13.876 1.00 0.00 O ATOM 668 H1 HOH A 223 3.939 14.894 13.971 1.00 0.00 H ATOM 669 H2 HOH A 223 3.055 15.619 12.979 1.00 0.00 H ATOM 670 O HOH A 224 13.415 16.171 11.555 1.00 0.00 O ATOM 671 H1 HOH A 224 12.717 15.530 11.420 1.00 0.00 H ATOM 672 H2 HOH A 224 14.011 16.035 10.819 1.00 0.00 H ATOM 673 O HOH A 225 1.462 7.299 4.733 1.00 0.00 O ATOM 674 H1 HOH A 225 1.172 8.190 4.538 1.00 0.00 H ATOM 675 H2 HOH A 225 2.049 7.074 4.011 1.00 0.00 H ATOM 676 O HOH A 226 23.131 19.714 3.463 1.00 0.00 O ATOM 677 H1 HOH A 226 22.853 18.826 3.689 1.00 0.00 H ATOM 678 H2 HOH A 226 22.927 19.800 2.532 1.00 0.00 H ATOM 679 O HOH A 227 20.348 19.676 7.165 1.00 0.00 O ATOM 680 H1 HOH A 227 20.353 18.744 7.380 1.00 0.00 H ATOM 681 H2 HOH A 227 20.773 20.097 7.912 1.00 0.00 H ATOM 682 O HOH A 228 13.675 18.515 22.231 1.00 0.00 O ATOM 683 H1 HOH A 228 13.088 18.337 21.496 1.00 0.00 H ATOM 684 H2 HOH A 228 14.353 19.082 21.865 1.00 0.00 H ATOM 685 O HOH A 229 23.741 10.577 8.321 1.00 0.00 O ATOM 686 H1 HOH A 229 23.900 9.732 8.741 1.00 0.00 H ATOM 687 H2 HOH A 229 23.024 10.410 7.709 1.00 0.00 H ATOM 688 O HOH A 230 14.886 6.229 23.500 1.00 0.00 O ATOM 689 H1 HOH A 230 15.097 7.022 23.993 1.00 0.00 H ATOM 690 H2 HOH A 230 15.473 6.253 22.744 1.00 0.00 H ATOM 691 O HOH A 231 1.304 3.052 18.218 1.00 0.00 O ATOM 692 H1 HOH A 231 1.995 2.389 18.220 1.00 0.00 H ATOM 693 H2 HOH A 231 0.729 2.797 17.497 1.00 0.00 H ATOM 694 O HOH A 232 14.697 17.198 24.499 1.00 0.00 O ATOM 695 H1 HOH A 232 13.935 17.405 23.958 1.00 0.00 H ATOM 696 H2 HOH A 232 14.547 17.671 25.317 1.00 0.00 H ATOM 697 O HOH A 233 24.379 7.914 8.957 1.00 0.00 O ATOM 698 H1 HOH A 233 23.997 7.083 8.675 1.00 0.00 H ATOM 699 H2 HOH A 233 24.879 7.695 9.743 1.00 0.00 H ATOM 700 O HOH A 234 1.249 19.360 14.989 1.00 0.00 O ATOM 701 H1 HOH A 234 0.295 19.368 15.060 1.00 0.00 H ATOM 702 H2 HOH A 234 1.541 18.818 15.722 1.00 0.00 H ATOM 703 Na NA A 235 22.947 7.523 18.508 1.00 0.00 Na ATOM 704 Du NA A 235 22.594 6.678 17.872 1.00 0.00 H ATOM 705 Du NA A 235 22.300 8.664 18.997 1.00 0.00 H ATOM 706 O HOH A 236 0.578 17.628 17.135 1.00 0.00 O ATOM 707 H1 HOH A 236 1.325 17.483 17.716 1.00 0.00 H ATOM 708 H2 HOH A 236 -0.151 17.182 17.565 1.00 0.00 H ATOM 709 O HOH A 237 15.830 12.065 6.855 1.00 0.00 O ATOM 710 H1 HOH A 237 16.678 12.150 7.291 1.00 0.00 H ATOM 711 H2 HOH A 237 15.695 12.910 6.427 1.00 0.00 H ATOM 712 O HOH A 238 12.459 9.161 16.895 1.00 0.00 O ATOM 713 H1 HOH A 238 13.374 9.382 16.723 1.00 0.00 H ATOM 714 H2 HOH A 238 12.260 8.460 16.274 1.00 0.00 H ATOM 715 O HOH A 239 1.777 7.823 0.771 1.00 0.00 O ATOM 716 H1 HOH A 239 1.751 8.742 0.504 1.00 0.00 H ATOM 717 H2 HOH A 239 2.707 7.595 0.753 1.00 0.00 H ATOM 718 O HOH A 240 5.245 9.028 9.096 1.00 0.00 O ATOM 719 H1 HOH A 240 4.841 9.774 9.539 1.00 0.00 H ATOM 720 H2 HOH A 240 4.572 8.348 9.111 1.00 0.00 H ATOM 721 O HOH A 241 0.649 12.240 9.353 1.00 0.00 O ATOM 722 H1 HOH A 241 0.139 11.525 8.972 1.00 0.00 H ATOM 723 H2 HOH A 241 0.802 12.841 8.624 1.00 0.00 H ATOM 724 O HOH A 242 17.045 9.991 3.818 1.00 0.00 O ATOM 725 H1 HOH A 242 17.600 10.655 4.228 1.00 0.00 H ATOM 726 H2 HOH A 242 17.471 9.160 4.028 1.00 0.00 H ATOM 727 O HOH A 243 18.195 8.999 19.345 1.00 0.00 O ATOM 728 H1 HOH A 243 18.969 9.071 19.903 1.00 0.00 H ATOM 729 H2 HOH A 243 17.469 9.278 19.902 1.00 0.00 H ATOM 730 O HOH A 244 14.756 6.246 18.248 1.00 0.00 O ATOM 731 H1 HOH A 244 14.333 6.160 19.102 1.00 0.00 H ATOM 732 H2 HOH A 244 15.691 6.288 18.446 1.00 0.00 H ATOM 733 O HOH A 245 19.162 6.451 15.048 1.00 0.00 O ATOM 734 H1 HOH A 245 18.760 7.270 14.760 1.00 0.00 H ATOM 735 H2 HOH A 245 18.441 5.821 15.062 1.00 0.00 H ATOM 736 O HOH A 246 3.805 6.591 8.588 1.00 0.00 O ATOM 737 H1 HOH A 246 4.025 6.078 7.811 1.00 0.00 H ATOM 738 H2 HOH A 246 3.100 7.171 8.302 1.00 0.00 H ATOM 739 O HOH A 247 19.842 10.622 15.936 1.00 0.00 O ATOM 740 H1 HOH A 247 19.868 11.518 15.600 1.00 0.00 H ATOM 741 H2 HOH A 247 20.033 10.710 16.870 1.00 0.00 H ATOM 742 O HOH A 248 23.002 10.948 4.596 1.00 0.00 O ATOM 743 H1 HOH A 248 22.468 10.739 5.363 1.00 0.00 H ATOM 744 H2 HOH A 248 23.158 10.102 4.176 1.00 0.00 H ATOM 745 O HOH A 249 21.799 17.961 18.325 1.00 0.00 O ATOM 746 H1 HOH A 249 21.612 18.284 17.443 1.00 0.00 H ATOM 747 H2 HOH A 249 21.805 17.008 18.235 1.00 0.00 H ATOM 748 O HOH A 250 16.816 7.613 0.082 1.00 0.00 O ATOM 749 H1 HOH A 250 16.550 8.466 0.424 1.00 0.00 H ATOM 750 H2 HOH A 250 17.616 7.399 0.562 1.00 0.00 H ATOM 751 O HOH A 251 15.649 3.034 15.574 1.00 0.00 O ATOM 752 H1 HOH A 251 16.141 3.251 14.783 1.00 0.00 H ATOM 753 H2 HOH A 251 16.133 3.459 16.282 1.00 0.00 H ATOM 754 O HOH A 252 16.590 5.218 21.403 1.00 0.00 O ATOM 755 H1 HOH A 252 16.927 5.653 20.619 1.00 0.00 H ATOM 756 H2 HOH A 252 16.392 4.327 21.117 1.00 0.00 H ATOM 757 O HOH A 253 22.662 1.977 5.516 1.00 0.00 O ATOM 758 H1 HOH A 253 22.352 1.244 4.983 1.00 0.00 H ATOM 759 H2 HOH A 253 23.610 1.985 5.386 1.00 0.00 H ATOM 760 O HOH A 254 13.438 5.233 15.712 1.00 0.00 O ATOM 761 H1 HOH A 254 13.805 5.459 16.567 1.00 0.00 H ATOM 762 H2 HOH A 254 14.085 5.551 15.082 1.00 0.00 H ATOM 763 O HOH A 255 0.310 14.691 22.033 1.00 0.00 O ATOM 764 H1 HOH A 255 0.881 13.929 22.133 1.00 0.00 H ATOM 765 H2 HOH A 255 0.168 15.002 22.927 1.00 0.00 H ATOM 766 O HOH A 256 23.412 9.833 14.422 1.00 0.00 O ATOM 767 H1 HOH A 256 22.828 9.089 14.273 1.00 0.00 H ATOM 768 H2 HOH A 256 23.248 10.419 13.683 1.00 0.00 H ATOM 769 O HOH A 257 13.094 2.207 15.136 1.00 0.00 O ATOM 770 H1 HOH A 257 12.524 2.968 15.247 1.00 0.00 H ATOM 771 H2 HOH A 257 13.980 2.569 15.128 1.00 0.00 H ATOM 772 O HOH A 258 3.522 11.126 20.171 1.00 0.00 O ATOM 773 H1 HOH A 258 3.493 10.288 19.708 1.00 0.00 H ATOM 774 H2 HOH A 258 4.284 11.055 20.746 1.00 0.00 H ATOM 775 O HOH A 259 20.266 3.101 5.716 1.00 0.00 O ATOM 776 H1 HOH A 259 19.876 3.095 6.590 1.00 0.00 H ATOM 777 H2 HOH A 259 21.144 2.741 5.842 1.00 0.00 H ATOM 778 O HOH A 260 16.880 10.063 23.260 1.00 0.00 O ATOM 779 H1 HOH A 260 16.245 10.638 23.687 1.00 0.00 H ATOM 780 H2 HOH A 260 17.244 10.593 22.551 1.00 0.00 H ATOM 781 O HOH A 261 24.275 10.586 23.776 1.00 0.00 O ATOM 782 H1 HOH A 261 24.908 10.228 23.154 1.00 0.00 H ATOM 783 H2 HOH A 261 23.973 11.398 23.370 1.00 0.00 H ATOM 784 O HOH A 262 15.756 9.800 1.596 1.00 0.00 O ATOM 785 H1 HOH A 262 16.006 10.686 1.334 1.00 0.00 H ATOM 786 H2 HOH A 262 16.198 9.664 2.435 1.00 0.00 H ATOM 787 O HOH A 263 7.610 15.391 14.037 1.00 0.00 O ATOM 788 H1 HOH A 263 7.881 15.376 13.119 1.00 0.00 H ATOM 789 H2 HOH A 263 6.920 14.730 14.095 1.00 0.00 H ATOM 790 O HOH A 264 13.571 3.522 3.413 1.00 0.00 O ATOM 791 H1 HOH A 264 12.954 4.156 3.779 1.00 0.00 H ATOM 792 H2 HOH A 264 14.431 3.921 3.546 1.00 0.00 H ATOM 793 O HOH A 265 19.378 11.594 22.381 1.00 0.00 O ATOM 794 H1 HOH A 265 18.989 12.261 22.946 1.00 0.00 H ATOM 795 H2 HOH A 265 19.206 11.902 21.492 1.00 0.00 H ATOM 796 O HOH A 266 22.947 13.809 3.181 1.00 0.00 O ATOM 797 H1 HOH A 266 22.981 13.632 4.121 1.00 0.00 H ATOM 798 H2 HOH A 266 23.532 14.556 3.055 1.00 0.00 H ATOM 799 O HOH A 267 15.890 6.883 5.847 1.00 0.00 O ATOM 800 H1 HOH A 267 15.005 7.052 6.172 1.00 0.00 H ATOM 801 H2 HOH A 267 16.466 7.213 6.537 1.00 0.00 H ATOM 802 O HOH A 268 15.622 9.516 20.656 1.00 0.00 O ATOM 803 H1 HOH A 268 15.999 10.041 21.363 1.00 0.00 H ATOM 804 H2 HOH A 268 14.761 9.904 20.501 1.00 0.00 H ATOM 805 O HOH A 269 2.961 10.875 7.581 1.00 0.00 O ATOM 806 H1 HOH A 269 3.717 10.760 7.005 1.00 0.00 H ATOM 807 H2 HOH A 269 2.442 10.081 7.456 1.00 0.00 H ATOM 808 O HOH A 270 19.596 8.932 21.803 1.00 0.00 O ATOM 809 H1 HOH A 270 19.564 9.808 22.187 1.00 0.00 H ATOM 810 H2 HOH A 270 18.866 8.465 22.210 1.00 0.00 H ATOM 811 O HOH A 271 23.333 5.905 15.406 1.00 0.00 O ATOM 812 H1 HOH A 271 23.160 6.804 15.124 1.00 0.00 H ATOM 813 H2 HOH A 271 24.251 5.912 15.678 1.00 0.00 H ATOM 814 O HOH A 272 1.035 12.970 14.382 1.00 0.00 O ATOM 815 H1 HOH A 272 0.289 12.976 13.783 1.00 0.00 H ATOM 816 H2 HOH A 272 0.943 13.778 14.888 1.00 0.00 H ATOM 817 O HOH A 273 15.589 13.507 16.745 1.00 0.00 O ATOM 818 H1 HOH A 273 16.526 13.318 16.796 1.00 0.00 H ATOM 819 H2 HOH A 273 15.444 14.183 17.406 1.00 0.00 H ATOM 820 O HOH A 274 22.002 9.045 20.441 1.00 0.00 O ATOM 821 H1 HOH A 274 21.229 8.951 20.998 1.00 0.00 H ATOM 822 H2 HOH A 274 22.722 9.193 21.054 1.00 0.00 H ATOM 823 O HOH A 275 22.389 3.327 9.235 1.00 0.00 O ATOM 824 H1 HOH A 275 21.473 3.488 9.460 1.00 0.00 H ATOM 825 H2 HOH A 275 22.405 2.422 8.923 1.00 0.00 H ATOM 826 O HOH A 276 20.422 8.849 2.231 1.00 0.00 O ATOM 827 H1 HOH A 276 21.161 9.042 2.808 1.00 0.00 H ATOM 828 H2 HOH A 276 20.446 9.541 1.570 1.00 0.00 H ATOM 829 Na NA A 277 11.955 8.299 6.596 1.00 0.00 Na ATOM 830 Du NA A 277 12.750 8.506 6.486 1.00 0.00 H ATOM 831 Du NA A 277 11.841 7.774 7.246 1.00 0.00 H ATOM 832 O HOH A 278 0.536 13.794 0.013 1.00 0.00 O ATOM 833 H1 HOH A 278 1.327 13.255 0.025 1.00 0.00 H ATOM 834 H2 HOH A 278 -0.035 13.396 0.670 1.00 0.00 H ATOM 835 O HOH A 279 1.413 10.477 0.337 1.00 0.00 O ATOM 836 H1 HOH A 279 0.590 10.764 -0.059 1.00 0.00 H ATOM 837 H2 HOH A 279 2.091 10.916 -0.176 1.00 0.00 H ATOM 838 Cl CL A 280 20.529 10.605 12.219 1.00 0.00 Cl ATOM 839 Du CL A 280 21.280 10.096 11.532 1.00 0.00 H ATOM 840 Du CL A 280 21.006 11.854 12.011 1.00 0.00 H ATOM 841 O HOH A 281 19.572 14.741 7.303 1.00 0.00 O ATOM 842 H1 HOH A 281 20.335 14.393 7.764 1.00 0.00 H ATOM 843 H2 HOH A 281 18.826 14.292 7.701 1.00 0.00 H ATOM 844 O HOH A 282 4.205 24.840 14.121 1.00 0.00 O ATOM 845 H1 HOH A 282 3.425 25.059 13.611 1.00 0.00 H ATOM 846 H2 HOH A 282 3.869 24.377 14.888 1.00 0.00 H ATOM 847 O HOH A 283 24.064 3.450 11.434 1.00 0.00 O ATOM 848 H1 HOH A 283 24.802 3.755 10.908 1.00 0.00 H ATOM 849 H2 HOH A 283 23.326 3.430 10.824 1.00 0.00 H ATOM 850 O HOH A 284 2.032 0.295 18.360 1.00 0.00 O ATOM 851 H1 HOH A 284 1.819 0.149 19.282 1.00 0.00 H ATOM 852 H2 HOH A 284 1.185 0.292 17.915 1.00 0.00 H ATOM 853 O HOH A 285 23.498 7.241 22.445 1.00 0.00 O ATOM 854 H1 HOH A 285 22.950 7.785 23.011 1.00 0.00 H ATOM 855 H2 HOH A 285 24.173 6.892 23.027 1.00 0.00 H ATOM 856 O HOH A 286 6.559 2.262 18.099 1.00 0.00 O ATOM 857 H1 HOH A 286 6.954 2.978 18.596 1.00 0.00 H ATOM 858 H2 HOH A 286 6.142 1.711 18.762 1.00 0.00 H ATOM 859 O HOH A 287 24.559 5.881 20.350 1.00 0.00 O ATOM 860 H1 HOH A 287 24.276 6.200 21.207 1.00 0.00 H ATOM 861 H2 HOH A 287 23.882 5.256 20.091 1.00 0.00 H ATOM 862 O HOH A 288 12.191 7.098 24.805 1.00 0.00 O ATOM 863 H1 HOH A 288 11.701 7.517 25.513 1.00 0.00 H ATOM 864 H2 HOH A 288 11.517 6.751 24.220 1.00 0.00 H ATOM 865 O HOH A 289 19.353 8.109 5.411 1.00 0.00 O ATOM 866 H1 HOH A 289 19.778 7.419 4.901 1.00 0.00 H ATOM 867 H2 HOH A 289 18.935 7.647 6.138 1.00 0.00 H ATOM 868 O HOH A 290 20.858 16.606 14.623 1.00 0.00 O ATOM 869 H1 HOH A 290 20.901 17.559 14.705 1.00 0.00 H ATOM 870 H2 HOH A 290 20.006 16.372 14.992 1.00 0.00 H ATOM 871 O HOH A 291 18.766 10.501 7.577 1.00 0.00 O ATOM 872 H1 HOH A 291 18.668 10.403 6.630 1.00 0.00 H ATOM 873 H2 HOH A 291 19.692 10.708 7.702 1.00 0.00 H ATOM 874 O HOH A 292 9.778 2.099 21.090 1.00 0.00 O ATOM 875 H1 HOH A 292 9.303 2.495 21.821 1.00 0.00 H ATOM 876 H2 HOH A 292 10.386 2.779 20.802 1.00 0.00 H ATOM 877 O HOH A 293 14.340 6.519 1.350 1.00 0.00 O ATOM 878 H1 HOH A 293 13.436 6.815 1.450 1.00 0.00 H ATOM 879 H2 HOH A 293 14.448 6.394 0.407 1.00 0.00 H ATOM 880 O HOH A 294 0.780 9.439 3.291 1.00 0.00 O ATOM 881 H1 HOH A 294 -0.142 9.644 3.137 1.00 0.00 H ATOM 882 H2 HOH A 294 1.176 9.447 2.420 1.00 0.00 H ATOM 883 O HOH A 295 0.479 8.933 18.761 1.00 0.00 O ATOM 884 H1 HOH A 295 0.823 9.818 18.637 1.00 0.00 H ATOM 885 H2 HOH A 295 0.910 8.411 18.084 1.00 0.00 H ATOM 886 O HOH A 296 15.929 18.694 14.424 1.00 0.00 O ATOM 887 H1 HOH A 296 16.409 19.328 13.891 1.00 0.00 H ATOM 888 H2 HOH A 296 16.605 18.254 14.940 1.00 0.00 H ATOM 889 O HOH A 297 4.502 11.139 12.610 1.00 0.00 O ATOM 890 H1 HOH A 297 4.230 12.051 12.714 1.00 0.00 H ATOM 891 H2 HOH A 297 3.889 10.777 11.970 1.00 0.00 H ATOM 892 O HOH A 298 5.702 0.208 19.911 1.00 0.00 O ATOM 893 H1 HOH A 298 5.196 -0.292 19.271 1.00 0.00 H ATOM 894 H2 HOH A 298 5.100 0.887 20.216 1.00 0.00 H ATOM 895 O HOH A 299 13.318 15.333 18.700 1.00 0.00 O ATOM 896 H1 HOH A 299 12.863 14.502 18.837 1.00 0.00 H ATOM 897 H2 HOH A 299 13.802 15.479 19.513 1.00 0.00 H ATOM 898 O HOH A 300 0.134 9.552 11.826 1.00 0.00 O ATOM 899 H1 HOH A 300 0.504 9.502 12.707 1.00 0.00 H ATOM 900 H2 HOH A 300 0.268 8.678 11.459 1.00 0.00 H ATOM 901 O HOH A 301 3.782 10.883 10.023 1.00 0.00 O ATOM 902 H1 HOH A 301 3.515 11.089 9.127 1.00 0.00 H ATOM 903 H2 HOH A 301 3.023 11.112 10.558 1.00 0.00 H ATOM 904 O HOH A 302 19.345 3.393 8.276 1.00 0.00 O ATOM 905 H1 HOH A 302 18.430 3.639 8.140 1.00 0.00 H ATOM 906 H2 HOH A 302 19.759 4.187 8.615 1.00 0.00 H ATOM 907 O HOH A 303 1.817 11.612 11.639 1.00 0.00 O ATOM 908 H1 HOH A 303 1.260 10.910 11.977 1.00 0.00 H ATOM 909 H2 HOH A 303 1.409 11.865 10.811 1.00 0.00 H ATOM 910 O HOH A 304 1.129 4.515 9.952 1.00 0.00 O ATOM 911 H1 HOH A 304 1.656 3.866 10.418 1.00 0.00 H ATOM 912 H2 HOH A 304 1.105 4.200 9.049 1.00 0.00 H ATOM 913 O HOH A 305 0.985 6.892 10.971 1.00 0.00 O ATOM 914 H1 HOH A 305 0.781 6.026 10.618 1.00 0.00 H ATOM 915 H2 HOH A 305 1.768 6.756 11.504 1.00 0.00 H ATOM 916 O HOH A 306 17.989 8.272 13.387 1.00 0.00 O ATOM 917 H1 HOH A 306 17.101 8.552 13.609 1.00 0.00 H ATOM 918 H2 HOH A 306 18.388 9.042 12.982 1.00 0.00 H ATOM 919 O HOH A 307 20.929 15.259 12.194 1.00 0.00 O ATOM 920 H1 HOH A 307 20.275 14.569 12.087 1.00 0.00 H ATOM 921 H2 HOH A 307 20.667 15.717 12.992 1.00 0.00 H ATOM 922 O HOH A 308 11.916 4.511 10.077 1.00 0.00 O ATOM 923 H1 HOH A 308 12.377 3.788 10.503 1.00 0.00 H ATOM 924 H2 HOH A 308 11.170 4.691 10.650 1.00 0.00 H ATOM 925 O HOH A 309 23.168 8.614 3.120 1.00 0.00 O ATOM 926 H1 HOH A 309 23.200 7.837 3.677 1.00 0.00 H ATOM 927 H2 HOH A 309 23.444 8.303 2.258 1.00 0.00 H ATOM 928 O HOH A 310 22.446 16.234 9.188 1.00 0.00 O ATOM 929 H1 HOH A 310 22.209 16.257 10.115 1.00 0.00 H ATOM 930 H2 HOH A 310 22.890 15.393 9.075 1.00 0.00 H ATOM 931 O HOH A 311 21.123 0.367 0.155 1.00 0.00 O ATOM 932 H1 HOH A 311 21.695 0.365 -0.613 1.00 0.00 H ATOM 933 H2 HOH A 311 21.507 -0.285 0.742 1.00 0.00 H ATOM 934 O HOH A 312 17.460 9.321 16.842 1.00 0.00 O ATOM 935 H1 HOH A 312 18.093 9.711 16.240 1.00 0.00 H ATOM 936 H2 HOH A 312 17.955 9.174 17.648 1.00 0.00 H ATOM 937 O HOH A 313 13.774 11.457 14.796 1.00 0.00 O ATOM 938 H1 HOH A 313 14.390 11.086 14.164 1.00 0.00 H ATOM 939 H2 HOH A 313 14.244 11.435 15.629 1.00 0.00 H ATOM 940 O HOH A 314 13.844 8.442 9.951 1.00 0.00 O ATOM 941 H1 HOH A 314 14.074 7.572 9.625 1.00 0.00 H ATOM 942 H2 HOH A 314 14.489 9.027 9.554 1.00 0.00 H ATOM 943 O HOH A 315 3.446 14.710 9.307 1.00 0.00 O ATOM 944 H1 HOH A 315 3.345 14.088 10.027 1.00 0.00 H ATOM 945 H2 HOH A 315 4.372 14.658 9.072 1.00 0.00 H ATOM 946 O HOH A 316 21.456 9.157 7.211 1.00 0.00 O ATOM 947 H1 HOH A 316 21.002 8.926 6.400 1.00 0.00 H ATOM 948 H2 HOH A 316 21.398 8.369 7.751 1.00 0.00 H ATOM 949 O HOH A 317 6.780 6.839 7.781 1.00 0.00 O ATOM 950 H1 HOH A 317 6.662 6.755 6.835 1.00 0.00 H ATOM 951 H2 HOH A 317 5.969 7.244 8.089 1.00 0.00 H ATOM 952 O HOH A 318 0.482 14.293 7.266 1.00 0.00 O ATOM 953 H1 HOH A 318 1.421 14.466 7.333 1.00 0.00 H ATOM 954 H2 HOH A 318 0.401 13.688 6.530 1.00 0.00 H ATOM 955 O HOH A 319 22.853 9.393 10.528 1.00 0.00 O ATOM 956 H1 HOH A 319 22.173 10.066 10.578 1.00 0.00 H ATOM 957 H2 HOH A 319 23.518 9.678 11.154 1.00 0.00 H ATOM 958 O HOH A 320 5.915 20.653 14.298 1.00 0.00 O ATOM 959 H1 HOH A 320 6.829 20.939 14.297 1.00 0.00 H ATOM 960 H2 HOH A 320 5.501 21.169 13.606 1.00 0.00 H ATOM 961 O HOH A 321 1.978 8.613 16.358 1.00 0.00 O ATOM 962 H1 HOH A 321 1.867 8.690 15.410 1.00 0.00 H ATOM 963 H2 HOH A 321 2.412 7.769 16.481 1.00 0.00 H ATOM 964 O HOH A 322 21.708 13.528 14.064 1.00 0.00 O ATOM 965 H1 HOH A 322 21.475 12.661 13.732 1.00 0.00 H ATOM 966 H2 HOH A 322 21.694 14.093 13.291 1.00 0.00 H ATOM 967 O HOH A 323 25.115 4.351 1.546 1.00 0.00 O ATOM 968 H1 HOH A 323 24.733 3.706 2.141 1.00 0.00 H ATOM 969 H2 HOH A 323 24.362 4.814 1.179 1.00 0.00 H ATOM 970 O HOH A 324 17.885 13.023 8.355 1.00 0.00 O ATOM 971 H1 HOH A 324 17.651 13.413 9.198 1.00 0.00 H ATOM 972 H2 HOH A 324 18.394 12.245 8.583 1.00 0.00 H ATOM 973 O HOH A 325 2.096 20.309 17.899 1.00 0.00 O ATOM 974 H1 HOH A 325 2.936 20.251 17.444 1.00 0.00 H ATOM 975 H2 HOH A 325 1.924 19.417 18.200 1.00 0.00 H ATOM 976 O HOH A 326 24.626 18.580 20.336 1.00 0.00 O ATOM 977 H1 HOH A 326 25.523 18.437 20.036 1.00 0.00 H ATOM 978 H2 HOH A 326 24.101 18.570 19.536 1.00 0.00 H ATOM 979 O HOH A 327 11.902 2.888 19.111 1.00 0.00 O ATOM 980 H1 HOH A 327 11.196 2.874 18.465 1.00 0.00 H ATOM 981 H2 HOH A 327 12.703 2.923 18.590 1.00 0.00 H ATOM 982 O HOH A 328 6.648 20.047 0.271 1.00 0.00 O ATOM 983 H1 HOH A 328 6.827 20.437 -0.585 1.00 0.00 H ATOM 984 H2 HOH A 328 5.884 20.524 0.596 1.00 0.00 H ATOM 985 O HOH A 329 10.855 20.453 2.091 1.00 0.00 O ATOM 986 H1 HOH A 329 10.493 20.878 1.313 1.00 0.00 H ATOM 987 H2 HOH A 329 10.119 19.968 2.464 1.00 0.00 H ATOM 988 O HOH A 330 11.369 20.406 23.767 1.00 0.00 O ATOM 989 H1 HOH A 330 11.059 20.556 22.874 1.00 0.00 H ATOM 990 H2 HOH A 330 11.323 19.457 23.881 1.00 0.00 H ATOM 991 O HOH A 331 11.686 13.853 23.448 1.00 0.00 O ATOM 992 H1 HOH A 331 11.488 14.436 24.181 1.00 0.00 H ATOM 993 H2 HOH A 331 11.053 13.140 23.531 1.00 0.00 H ATOM 994 O HOH A 332 12.595 19.178 5.031 1.00 0.00 O ATOM 995 H1 HOH A 332 13.195 19.914 5.153 1.00 0.00 H ATOM 996 H2 HOH A 332 12.294 19.261 4.127 1.00 0.00 H ATOM 997 O HOH A 333 6.981 24.485 14.179 1.00 0.00 O ATOM 998 H1 HOH A 333 6.061 24.628 13.959 1.00 0.00 H ATOM 999 H2 HOH A 333 7.012 23.589 14.514 1.00 0.00 H ATOM 1000 O HOH A 334 6.103 17.314 24.935 1.00 0.00 O ATOM 1001 H1 HOH A 334 6.491 16.931 24.148 1.00 0.00 H ATOM 1002 H2 HOH A 334 6.525 18.169 25.018 1.00 0.00 H ATOM 1003 O HOH A 335 3.367 19.351 13.220 1.00 0.00 O ATOM 1004 H1 HOH A 335 2.468 19.089 13.417 1.00 0.00 H ATOM 1005 H2 HOH A 335 3.712 19.672 14.053 1.00 0.00 H ATOM 1006 O HOH A 336 13.059 10.275 0.837 1.00 0.00 O ATOM 1007 H1 HOH A 336 12.927 9.754 0.044 1.00 0.00 H ATOM 1008 H2 HOH A 336 14.009 10.310 0.945 1.00 0.00 H ATOM 1009 O HOH A 337 2.263 23.772 8.123 1.00 0.00 O ATOM 1010 H1 HOH A 337 1.597 24.160 7.556 1.00 0.00 H ATOM 1011 H2 HOH A 337 2.646 24.516 8.588 1.00 0.00 H ATOM 1012 O HOH A 338 5.908 11.285 21.597 1.00 0.00 O ATOM 1013 H1 HOH A 338 6.336 12.115 21.389 1.00 0.00 H ATOM 1014 H2 HOH A 338 6.406 10.628 21.109 1.00 0.00 H ATOM 1015 O HOH A 339 4.146 19.416 16.491 1.00 0.00 O ATOM 1016 H1 HOH A 339 4.759 19.904 15.942 1.00 0.00 H ATOM 1017 H2 HOH A 339 4.444 18.508 16.435 1.00 0.00 H ATOM 1018 O HOH A 340 18.249 16.406 5.379 1.00 0.00 O ATOM 1019 H1 HOH A 340 18.698 16.096 6.166 1.00 0.00 H ATOM 1020 H2 HOH A 340 17.570 15.751 5.216 1.00 0.00 H ATOM 1021 O HOH A 341 22.992 19.759 8.455 1.00 0.00 O ATOM 1022 H1 HOH A 341 23.856 19.438 8.198 1.00 0.00 H ATOM 1023 H2 HOH A 341 23.093 20.012 9.373 1.00 0.00 H ATOM 1024 O HOH A 342 17.792 21.365 0.860 1.00 0.00 O ATOM 1025 H1 HOH A 342 16.899 21.465 0.532 1.00 0.00 H ATOM 1026 H2 HOH A 342 17.992 22.205 1.272 1.00 0.00 H ATOM 1027 O HOH A 343 6.513 23.977 1.263 1.00 0.00 O ATOM 1028 H1 HOH A 343 6.417 23.701 0.352 1.00 0.00 H ATOM 1029 H2 HOH A 343 5.885 24.692 1.364 1.00 0.00 H ATOM 1030 O HOH A 344 11.000 4.218 5.456 1.00 0.00 O ATOM 1031 H1 HOH A 344 10.594 5.044 5.193 1.00 0.00 H ATOM 1032 H2 HOH A 344 10.362 3.814 6.044 1.00 0.00 H ATOM 1033 O HOH A 345 13.120 15.984 14.479 1.00 0.00 O ATOM 1034 H1 HOH A 345 13.317 16.465 13.674 1.00 0.00 H ATOM 1035 H2 HOH A 345 12.211 15.703 14.375 1.00 0.00 H ATOM 1036 O HOH A 346 7.245 24.586 17.398 1.00 0.00 O ATOM 1037 H1 HOH A 346 7.754 24.857 18.162 1.00 0.00 H ATOM 1038 H2 HOH A 346 6.837 25.393 17.083 1.00 0.00 H ATOM 1039 O HOH A 347 14.511 1.901 17.979 1.00 0.00 O ATOM 1040 H1 HOH A 347 14.536 2.165 17.059 1.00 0.00 H ATOM 1041 H2 HOH A 347 14.134 1.021 17.966 1.00 0.00 H ATOM 1042 O HOH A 348 9.085 6.896 14.077 1.00 0.00 O ATOM 1043 H1 HOH A 348 10.028 6.751 14.158 1.00 0.00 H ATOM 1044 H2 HOH A 348 8.918 7.681 14.598 1.00 0.00 H ATOM 1045 O HOH A 349 8.670 13.149 21.215 1.00 0.00 O ATOM 1046 H1 HOH A 349 8.841 13.585 22.049 1.00 0.00 H ATOM 1047 H2 HOH A 349 8.118 12.401 21.443 1.00 0.00 H ATOM 1048 Cl CL A 350 10.930 17.458 24.289 1.00 0.00 Cl ATOM 1049 Du CL A 350 11.422 17.995 23.924 1.00 0.00 H ATOM 1050 Du CL A 350 11.497 17.167 24.067 1.00 0.00 H ATOM 1051 O HOH A 351 12.343 13.518 7.660 1.00 0.00 O ATOM 1052 H1 HOH A 351 11.914 13.603 6.808 1.00 0.00 H ATOM 1053 H2 HOH A 351 12.109 14.321 8.127 1.00 0.00 H ATOM 1054 O HOH A 352 10.033 11.277 3.786 1.00 0.00 O ATOM 1055 H1 HOH A 352 10.802 11.218 4.353 1.00 0.00 H ATOM 1056 H2 HOH A 352 10.286 11.899 3.104 1.00 0.00 H ATOM 1057 O HOH A 353 12.556 24.299 24.083 1.00 0.00 O ATOM 1058 H1 HOH A 353 12.634 24.041 25.002 1.00 0.00 H ATOM 1059 H2 HOH A 353 13.287 24.901 23.941 1.00 0.00 H ATOM 1060 O HOH A 354 4.173 22.088 19.692 1.00 0.00 O ATOM 1061 H1 HOH A 354 3.658 21.452 19.195 1.00 0.00 H ATOM 1062 H2 HOH A 354 5.043 22.057 19.293 1.00 0.00 H ATOM 1063 O HOH A 355 10.702 10.904 23.142 1.00 0.00 O ATOM 1064 H1 HOH A 355 10.553 11.625 22.530 1.00 0.00 H ATOM 1065 H2 HOH A 355 10.177 10.183 22.796 1.00 0.00 H ATOM 1066 O HOH A 356 12.521 18.887 19.705 1.00 0.00 O ATOM 1067 H1 HOH A 356 12.458 17.975 19.422 1.00 0.00 H ATOM 1068 H2 HOH A 356 12.978 19.329 18.990 1.00 0.00 H ATOM 1069 O HOH A 357 17.757 14.305 1.640 1.00 0.00 O ATOM 1070 H1 HOH A 357 18.673 14.048 1.531 1.00 0.00 H ATOM 1071 H2 HOH A 357 17.598 14.933 0.935 1.00 0.00 H ATOM 1072 O HOH A 358 24.445 16.314 12.711 1.00 0.00 O ATOM 1073 H1 HOH A 358 23.845 17.027 12.491 1.00 0.00 H ATOM 1074 H2 HOH A 358 25.074 16.299 11.990 1.00 0.00 H ATOM 1075 O HOH A 359 11.844 14.679 5.068 1.00 0.00 O ATOM 1076 H1 HOH A 359 12.196 15.027 4.249 1.00 0.00 H ATOM 1077 H2 HOH A 359 10.894 14.747 4.969 1.00 0.00 H ATOM 1078 O HOH A 360 20.977 16.937 7.003 1.00 0.00 O ATOM 1079 H1 HOH A 360 21.577 16.819 7.740 1.00 0.00 H ATOM 1080 H2 HOH A 360 20.514 16.101 6.936 1.00 0.00 H ATOM 1081 O HOH A 361 8.749 14.170 23.621 1.00 0.00 O ATOM 1082 H1 HOH A 361 8.167 14.324 24.366 1.00 0.00 H ATOM 1083 H2 HOH A 361 8.824 15.024 23.195 1.00 0.00 H ATOM 1084 O HOH A 362 9.632 18.722 3.917 1.00 0.00 O ATOM 1085 H1 HOH A 362 9.044 19.364 4.315 1.00 0.00 H ATOM 1086 H2 HOH A 362 9.195 18.469 3.104 1.00 0.00 H ATOM 1087 O HOH A 363 16.651 6.963 3.330 1.00 0.00 O ATOM 1088 H1 HOH A 363 15.850 7.353 2.981 1.00 0.00 H ATOM 1089 H2 HOH A 363 16.408 6.653 4.202 1.00 0.00 H ATOM 1090 O HOH A 364 9.121 3.431 7.019 1.00 0.00 O ATOM 1091 H1 HOH A 364 8.773 3.838 7.812 1.00 0.00 H ATOM 1092 H2 HOH A 364 9.447 2.579 7.310 1.00 0.00 H ATOM 1093 O HOH A 365 12.118 0.209 5.440 1.00 0.00 O ATOM 1094 H1 HOH A 365 12.787 0.181 4.755 1.00 0.00 H ATOM 1095 H2 HOH A 365 12.451 0.843 6.075 1.00 0.00 H ATOM 1096 O HOH A 366 15.189 16.605 9.469 1.00 0.00 O ATOM 1097 H1 HOH A 366 15.053 16.497 8.527 1.00 0.00 H ATOM 1098 H2 HOH A 366 15.541 17.490 9.561 1.00 0.00 H ATOM 1099 O HOH A 367 -0.301 19.936 24.607 1.00 0.00 O ATOM 1100 H1 HOH A 367 0.608 20.231 24.663 1.00 0.00 H ATOM 1101 H2 HOH A 367 -0.269 19.011 24.854 1.00 0.00 H ATOM 1102 O HOH A 368 9.768 0.004 24.187 1.00 0.00 O ATOM 1103 H1 HOH A 368 9.299 0.791 23.912 1.00 0.00 H ATOM 1104 H2 HOH A 368 9.877 -0.504 23.383 1.00 0.00 H ATOM 1105 O HOH A 369 15.107 21.541 21.133 1.00 0.00 O ATOM 1106 H1 HOH A 369 15.467 21.837 21.969 1.00 0.00 H ATOM 1107 H2 HOH A 369 14.205 21.290 21.335 1.00 0.00 H ATOM 1108 O HOH A 370 14.537 20.883 5.941 1.00 0.00 O ATOM 1109 H1 HOH A 370 15.292 21.416 6.193 1.00 0.00 H ATOM 1110 H2 HOH A 370 13.900 21.024 6.642 1.00 0.00 H ATOM 1111 O HOH A 371 18.636 16.046 15.792 1.00 0.00 O ATOM 1112 H1 HOH A 371 18.342 16.861 16.199 1.00 0.00 H ATOM 1113 H2 HOH A 371 17.844 15.670 15.409 1.00 0.00 H ATOM 1114 O HOH A 372 7.539 15.768 19.722 1.00 0.00 O ATOM 1115 H1 HOH A 372 8.002 15.179 20.318 1.00 0.00 H ATOM 1116 H2 HOH A 372 6.635 15.766 20.038 1.00 0.00 H ATOM 1117 O HOH A 373 18.310 22.718 17.877 1.00 0.00 O ATOM 1118 H1 HOH A 373 18.130 23.296 18.618 1.00 0.00 H ATOM 1119 H2 HOH A 373 18.280 23.292 17.112 1.00 0.00 H ATOM 1120 O HOH A 374 3.631 3.565 13.512 1.00 0.00 O ATOM 1121 H1 HOH A 374 2.687 3.414 13.473 1.00 0.00 H ATOM 1122 H2 HOH A 374 3.952 3.302 12.649 1.00 0.00 H ATOM 1123 O HOH A 375 9.817 20.200 21.169 1.00 0.00 O ATOM 1124 H1 HOH A 375 10.565 19.603 21.141 1.00 0.00 H ATOM 1125 H2 HOH A 375 9.873 20.694 20.351 1.00 0.00 H ATOM 1126 O HOH A 376 11.584 23.411 19.863 1.00 0.00 O ATOM 1127 H1 HOH A 376 12.271 23.504 20.523 1.00 0.00 H ATOM 1128 H2 HOH A 376 12.056 23.370 19.031 1.00 0.00 H ATOM 1129 O HOH A 377 4.888 11.917 23.907 1.00 0.00 O ATOM 1130 H1 HOH A 377 5.160 11.476 23.102 1.00 0.00 H ATOM 1131 H2 HOH A 377 5.646 11.846 24.487 1.00 0.00 H ATOM 1132 O HOH A 378 11.959 20.858 12.654 1.00 0.00 O ATOM 1133 H1 HOH A 378 12.533 21.053 11.914 1.00 0.00 H ATOM 1134 H2 HOH A 378 12.364 20.102 13.079 1.00 0.00 H ATOM 1135 O HOH A 379 8.052 18.193 18.448 1.00 0.00 O ATOM 1136 H1 HOH A 379 8.055 17.397 18.979 1.00 0.00 H ATOM 1137 H2 HOH A 379 8.957 18.285 18.149 1.00 0.00 H ATOM 1138 O HOH A 380 16.622 4.762 8.377 1.00 0.00 O ATOM 1139 H1 HOH A 380 15.801 5.231 8.227 1.00 0.00 H ATOM 1140 H2 HOH A 380 17.282 5.452 8.448 1.00 0.00 H ATOM 1141 O HOH A 381 2.653 15.655 24.606 1.00 0.00 O ATOM 1142 H1 HOH A 381 3.552 15.330 24.556 1.00 0.00 H ATOM 1143 H2 HOH A 381 2.135 14.890 24.858 1.00 0.00 H ATOM 1144 O HOH A 382 13.839 19.123 1.638 1.00 0.00 O ATOM 1145 H1 HOH A 382 12.937 19.023 1.334 1.00 0.00 H ATOM 1146 H2 HOH A 382 13.915 20.051 1.863 1.00 0.00 H ATOM 1147 O HOH A 383 13.613 5.758 20.650 1.00 0.00 O ATOM 1148 H1 HOH A 383 14.080 5.999 21.450 1.00 0.00 H ATOM 1149 H2 HOH A 383 12.863 6.353 20.622 1.00 0.00 H ATOM 1150 O HOH A 384 23.397 5.556 8.125 1.00 0.00 O ATOM 1151 H1 HOH A 384 24.057 5.242 7.507 1.00 0.00 H ATOM 1152 H2 HOH A 384 22.967 4.762 8.442 1.00 0.00 H ATOM 1153 O HOH A 385 7.046 2.635 3.631 1.00 0.00 O ATOM 1154 H1 HOH A 385 7.976 2.421 3.706 1.00 0.00 H ATOM 1155 H2 HOH A 385 6.986 3.547 3.914 1.00 0.00 H ATOM 1156 O HOH A 386 17.649 2.034 3.937 1.00 0.00 O ATOM 1157 H1 HOH A 386 18.466 2.163 4.419 1.00 0.00 H ATOM 1158 H2 HOH A 386 17.053 2.693 4.293 1.00 0.00 H ATOM 1159 O HOH A 387 12.064 16.328 20.959 1.00 0.00 O ATOM 1160 H1 HOH A 387 11.618 15.499 21.132 1.00 0.00 H ATOM 1161 H2 HOH A 387 12.497 16.544 21.785 1.00 0.00 H ATOM 1162 O HOH A 388 8.851 18.416 1.161 1.00 0.00 O ATOM 1163 H1 HOH A 388 8.432 19.209 0.826 1.00 0.00 H ATOM 1164 H2 HOH A 388 9.602 18.279 0.584 1.00 0.00 H ATOM 1165 O HOH A 389 16.851 23.336 13.493 1.00 0.00 O ATOM 1166 H1 HOH A 389 16.401 23.970 14.050 1.00 0.00 H ATOM 1167 H2 HOH A 389 17.775 23.425 13.727 1.00 0.00 H ATOM 1168 O HOH A 390 5.396 4.464 23.854 1.00 0.00 O ATOM 1169 H1 HOH A 390 5.358 3.641 23.366 1.00 0.00 H ATOM 1170 H2 HOH A 390 6.121 4.346 24.467 1.00 0.00 H ATOM 1171 O HOH A 391 4.365 5.740 14.409 1.00 0.00 O ATOM 1172 H1 HOH A 391 4.092 4.843 14.219 1.00 0.00 H ATOM 1173 H2 HOH A 391 5.038 5.930 13.755 1.00 0.00 H ATOM 1174 O HOH A 392 10.405 1.182 7.528 1.00 0.00 O ATOM 1175 H1 HOH A 392 10.655 0.665 6.762 1.00 0.00 H ATOM 1176 H2 HOH A 392 9.802 0.618 8.012 1.00 0.00 H ATOM 1177 O HOH A 393 10.709 12.984 1.773 1.00 0.00 O ATOM 1178 H1 HOH A 393 10.713 12.398 1.016 1.00 0.00 H ATOM 1179 H2 HOH A 393 11.528 13.474 1.701 1.00 0.00 H ATOM 1180 O HOH A 394 21.032 6.491 17.383 1.00 0.00 O ATOM 1181 H1 HOH A 394 21.030 5.538 17.472 1.00 0.00 H ATOM 1182 H2 HOH A 394 20.289 6.680 16.810 1.00 0.00 H ATOM 1183 O HOH A 395 13.359 24.782 15.945 1.00 0.00 O ATOM 1184 H1 HOH A 395 13.292 25.678 15.614 1.00 0.00 H ATOM 1185 H2 HOH A 395 12.453 24.507 16.081 1.00 0.00 H ATOM 1186 O HOH A 396 3.504 18.189 24.427 1.00 0.00 O ATOM 1187 H1 HOH A 396 4.384 18.017 24.760 1.00 0.00 H ATOM 1188 H2 HOH A 396 3.103 17.323 24.352 1.00 0.00 H ATOM 1189 O HOH A 397 10.574 20.779 16.159 1.00 0.00 O ATOM 1190 H1 HOH A 397 10.903 21.646 15.922 1.00 0.00 H ATOM 1191 H2 HOH A 397 10.973 20.597 17.010 1.00 0.00 H ATOM 1192 O HOH A 398 5.911 14.418 16.939 1.00 0.00 O ATOM 1193 H1 HOH A 398 5.924 13.756 17.630 1.00 0.00 H ATOM 1194 H2 HOH A 398 6.824 14.690 16.849 1.00 0.00 H ATOM 1195 O HOH A 399 7.462 20.905 22.439 1.00 0.00 O ATOM 1196 H1 HOH A 399 7.160 21.658 21.930 1.00 0.00 H ATOM 1197 H2 HOH A 399 8.306 20.676 22.051 1.00 0.00 H ATOM 1198 O HOH A 400 9.734 5.395 1.320 1.00 0.00 O ATOM 1199 H1 HOH A 400 9.450 6.132 1.860 1.00 0.00 H ATOM 1200 H2 HOH A 400 9.257 5.502 0.497 1.00 0.00 H ATOM 1201 O HOH A 401 6.122 6.350 12.199 1.00 0.00 O ATOM 1202 H1 HOH A 401 6.573 5.558 12.492 1.00 0.00 H ATOM 1203 H2 HOH A 401 6.827 6.967 12.001 1.00 0.00 H ATOM 1204 O HOH A 402 13.924 24.305 18.559 1.00 0.00 O ATOM 1205 H1 HOH A 402 13.647 24.133 17.659 1.00 0.00 H ATOM 1206 H2 HOH A 402 14.593 23.644 18.735 1.00 0.00 H ATOM 1207 O HOH A 403 5.973 18.912 21.401 1.00 0.00 O ATOM 1208 H1 HOH A 403 6.155 18.962 20.462 1.00 0.00 H ATOM 1209 H2 HOH A 403 6.580 19.537 21.797 1.00 0.00 H ATOM 1210 O HOH A 404 4.867 14.710 24.038 1.00 0.00 O ATOM 1211 H1 HOH A 404 4.989 14.630 24.984 1.00 0.00 H ATOM 1212 H2 HOH A 404 4.646 13.825 23.749 1.00 0.00 H ATOM 1213 O HOH A 405 10.485 18.667 14.553 1.00 0.00 O ATOM 1214 H1 HOH A 405 10.619 19.417 15.132 1.00 0.00 H ATOM 1215 H2 HOH A 405 10.558 19.030 13.670 1.00 0.00 H ATOM 1216 O HOH A 406 20.377 13.451 19.393 1.00 0.00 O ATOM 1217 H1 HOH A 406 21.028 13.429 20.094 1.00 0.00 H ATOM 1218 H2 HOH A 406 19.973 14.316 19.467 1.00 0.00 H ATOM 1219 O HOH A 407 8.263 16.758 5.176 1.00 0.00 O ATOM 1220 H1 HOH A 407 8.030 16.559 4.269 1.00 0.00 H ATOM 1221 H2 HOH A 407 8.630 17.641 5.141 1.00 0.00 H ATOM 1222 O HOH A 408 8.932 0.804 11.724 1.00 0.00 O ATOM 1223 H1 HOH A 408 8.334 0.181 12.138 1.00 0.00 H ATOM 1224 H2 HOH A 408 8.688 0.790 10.799 1.00 0.00 H ATOM 1225 O HOH A 409 9.377 0.736 14.875 1.00 0.00 O ATOM 1226 H1 HOH A 409 9.331 1.474 14.266 1.00 0.00 H ATOM 1227 H2 HOH A 409 8.542 0.283 14.766 1.00 0.00 H ATOM 1228 O HOH A 410 15.387 22.568 10.381 1.00 0.00 O ATOM 1229 H1 HOH A 410 14.686 22.913 9.828 1.00 0.00 H ATOM 1230 H2 HOH A 410 15.682 23.320 10.893 1.00 0.00 H ATOM 1231 O HOH A 411 8.776 17.641 11.815 1.00 0.00 O ATOM 1232 H1 HOH A 411 7.849 17.688 12.051 1.00 0.00 H ATOM 1233 H2 HOH A 411 8.986 16.708 11.852 1.00 0.00 H ATOM 1234 O HOH A 412 15.078 19.538 10.953 1.00 0.00 O ATOM 1235 H1 HOH A 412 15.601 20.339 10.971 1.00 0.00 H ATOM 1236 H2 HOH A 412 14.649 19.551 10.097 1.00 0.00 H ATOM 1237 O HOH A 413 6.999 6.752 17.399 1.00 0.00 O ATOM 1238 H1 HOH A 413 6.933 6.115 16.688 1.00 0.00 H ATOM 1239 H2 HOH A 413 7.326 7.548 16.978 1.00 0.00 H ATOM 1240 O HOH A 414 9.552 19.966 10.835 1.00 0.00 O ATOM 1241 H1 HOH A 414 10.292 19.711 10.283 1.00 0.00 H ATOM 1242 H2 HOH A 414 9.293 19.158 11.277 1.00 0.00 H ATOM 1243 O HOH A 415 14.202 17.328 16.727 1.00 0.00 O ATOM 1244 H1 HOH A 415 13.759 16.882 16.006 1.00 0.00 H ATOM 1245 H2 HOH A 415 13.965 16.823 17.505 1.00 0.00 H ATOM 1246 O HOH A 416 11.839 10.902 5.680 1.00 0.00 O ATOM 1247 H1 HOH A 416 12.210 10.698 6.539 1.00 0.00 H ATOM 1248 H2 HOH A 416 12.518 11.413 5.240 1.00 0.00 H ATOM 1249 O HOH A 417 11.587 6.245 14.126 1.00 0.00 O ATOM 1250 H1 HOH A 417 12.227 6.164 13.418 1.00 0.00 H ATOM 1251 H2 HOH A 417 11.945 5.711 14.835 1.00 0.00 H ATOM 1252 O HOH A 418 5.225 18.545 9.323 1.00 0.00 O ATOM 1253 H1 HOH A 418 5.606 17.734 9.661 1.00 0.00 H ATOM 1254 H2 HOH A 418 5.849 18.845 8.662 1.00 0.00 H ATOM 1255 O HOH A 419 7.499 19.138 8.248 1.00 0.00 O ATOM 1256 H1 HOH A 419 7.744 18.222 8.121 1.00 0.00 H ATOM 1257 H2 HOH A 419 8.227 19.515 8.742 1.00 0.00 H ATOM 1258 O HOH A 420 5.397 19.945 11.444 1.00 0.00 O ATOM 1259 H1 HOH A 420 5.822 19.091 11.365 1.00 0.00 H ATOM 1260 H2 HOH A 420 4.722 19.817 12.111 1.00 0.00 H ATOM 1261 O HOH A 421 10.683 17.782 17.260 1.00 0.00 O ATOM 1262 H1 HOH A 421 10.250 17.413 16.490 1.00 0.00 H ATOM 1263 H2 HOH A 421 11.519 17.318 17.311 1.00 0.00 H ATOM 1264 O HOH A 422 22.421 24.241 4.599 1.00 0.00 O ATOM 1265 H1 HOH A 422 22.787 23.985 5.445 1.00 0.00 H ATOM 1266 H2 HOH A 422 22.648 23.520 4.011 1.00 0.00 H ATOM 1267 O HOH A 423 14.969 3.409 12.416 1.00 0.00 O ATOM 1268 H1 HOH A 423 14.313 2.774 12.126 1.00 0.00 H ATOM 1269 H2 HOH A 423 15.749 3.199 11.901 1.00 0.00 H ATOM 1270 O HOH A 424 7.529 21.753 10.935 1.00 0.00 O ATOM 1271 H1 HOH A 424 8.249 21.128 11.015 1.00 0.00 H ATOM 1272 H2 HOH A 424 6.742 21.235 11.099 1.00 0.00 H ATOM 1273 O HOH A 425 11.028 0.336 1.812 1.00 0.00 O ATOM 1274 H1 HOH A 425 10.751 -0.107 1.009 1.00 0.00 H ATOM 1275 H2 HOH A 425 11.478 1.124 1.508 1.00 0.00 H ATOM 1276 O HOH A 426 10.538 19.468 8.275 1.00 0.00 O ATOM 1277 H1 HOH A 426 10.584 20.272 7.758 1.00 0.00 H ATOM 1278 H2 HOH A 426 10.983 18.812 7.739 1.00 0.00 H ATOM 1279 O HOH A 427 8.523 16.805 22.611 1.00 0.00 O ATOM 1280 H1 HOH A 427 9.362 16.834 23.071 1.00 0.00 H ATOM 1281 H2 HOH A 427 8.384 17.702 22.307 1.00 0.00 H ATOM 1282 O HOH A 428 17.795 24.044 20.187 1.00 0.00 O ATOM 1283 H1 HOH A 428 17.113 23.798 20.812 1.00 0.00 H ATOM 1284 H2 HOH A 428 18.080 24.912 20.471 1.00 0.00 H ATOM 1285 O HOH A 429 18.354 18.562 0.526 1.00 0.00 O ATOM 1286 H1 HOH A 429 18.959 18.441 -0.205 1.00 0.00 H ATOM 1287 H2 HOH A 429 18.380 19.501 0.707 1.00 0.00 H ATOM 1288 O HOH A 430 12.972 22.369 1.402 1.00 0.00 O ATOM 1289 H1 HOH A 430 12.442 21.997 2.107 1.00 0.00 H ATOM 1290 H2 HOH A 430 12.487 22.165 0.603 1.00 0.00 H ATOM 1291 O HOH A 431 9.488 1.561 3.526 1.00 0.00 O ATOM 1292 H1 HOH A 431 9.940 1.150 2.789 1.00 0.00 H ATOM 1293 H2 HOH A 431 10.189 1.803 4.132 1.00 0.00 H ATOM 1294 O HOH A 432 15.755 3.586 4.989 1.00 0.00 O ATOM 1295 H1 HOH A 432 15.381 4.188 5.633 1.00 0.00 H ATOM 1296 H2 HOH A 432 15.011 3.066 4.686 1.00 0.00 H ATOM 1297 O HOH A 433 11.755 16.244 8.520 1.00 0.00 O ATOM 1298 H1 HOH A 433 12.558 16.641 8.182 1.00 0.00 H ATOM 1299 H2 HOH A 433 11.856 16.271 9.472 1.00 0.00 H ATOM 1300 O HOH A 434 1.166 19.057 3.015 1.00 0.00 O ATOM 1301 H1 HOH A 434 1.602 19.681 2.436 1.00 0.00 H ATOM 1302 H2 HOH A 434 1.040 19.537 3.834 1.00 0.00 H ATOM 1303 O HOH A 435 16.290 1.719 7.730 1.00 0.00 O ATOM 1304 H1 HOH A 435 16.035 2.629 7.573 1.00 0.00 H ATOM 1305 H2 HOH A 435 16.894 1.513 7.017 1.00 0.00 H ATOM 1306 O HOH A 436 6.967 21.505 7.364 1.00 0.00 O ATOM 1307 H1 HOH A 436 6.720 21.997 8.147 1.00 0.00 H ATOM 1308 H2 HOH A 436 7.265 20.659 7.697 1.00 0.00 H ATOM 1309 O HOH A 437 4.850 14.826 1.792 1.00 0.00 O ATOM 1310 H1 HOH A 437 5.477 14.488 2.432 1.00 0.00 H ATOM 1311 H2 HOH A 437 4.163 15.231 2.321 1.00 0.00 H ATOM 1312 O HOH A 438 18.433 16.283 11.391 1.00 0.00 O ATOM 1313 H1 HOH A 438 19.368 16.082 11.435 1.00 0.00 H ATOM 1314 H2 HOH A 438 18.131 16.220 12.298 1.00 0.00 H ATOM 1315 O HOH A 439 13.209 1.660 10.997 1.00 0.00 O ATOM 1316 H1 HOH A 439 12.500 1.185 11.429 1.00 0.00 H ATOM 1317 H2 HOH A 439 13.864 0.989 10.803 1.00 0.00 H ATOM 1318 O HOH A 440 14.646 0.122 9.250 1.00 0.00 O ATOM 1319 H1 HOH A 440 15.477 0.592 9.180 1.00 0.00 H ATOM 1320 H2 HOH A 440 14.207 0.287 8.416 1.00 0.00 H ATOM 1321 O HOH A 441 17.158 20.565 12.957 1.00 0.00 O ATOM 1322 H1 HOH A 441 17.231 21.518 13.010 1.00 0.00 H ATOM 1323 H2 HOH A 441 17.826 20.308 12.321 1.00 0.00 H ATOM 1324 O HOH A 442 16.117 17.852 2.481 1.00 0.00 O ATOM 1325 H1 HOH A 442 16.733 18.047 1.776 1.00 0.00 H ATOM 1326 H2 HOH A 442 15.409 18.486 2.364 1.00 0.00 H ATOM 1327 O HOH A 443 1.905 21.019 8.041 1.00 0.00 O ATOM 1328 H1 HOH A 443 2.071 21.960 7.975 1.00 0.00 H ATOM 1329 H2 HOH A 443 2.118 20.676 7.173 1.00 0.00 H ATOM 1330 O HOH A 444 7.171 4.604 9.267 1.00 0.00 O ATOM 1331 H1 HOH A 444 7.282 4.861 10.182 1.00 0.00 H ATOM 1332 H2 HOH A 444 7.147 5.432 8.787 1.00 0.00 H ATOM 1333 O HOH A 445 14.049 17.019 5.013 1.00 0.00 O ATOM 1334 H1 HOH A 445 13.915 16.591 4.167 1.00 0.00 H ATOM 1335 H2 HOH A 445 13.348 17.668 5.068 1.00 0.00 H ATOM 1336 O HOH A 446 16.330 15.887 18.162 1.00 0.00 O ATOM 1337 H1 HOH A 446 17.106 16.267 18.574 1.00 0.00 H ATOM 1338 H2 HOH A 446 16.136 16.472 17.430 1.00 0.00 H ATOM 1339 O HOH A 447 9.688 23.051 9.376 1.00 0.00 O ATOM 1340 H1 HOH A 447 8.955 23.426 8.888 1.00 0.00 H ATOM 1341 H2 HOH A 447 9.279 22.591 10.109 1.00 0.00 H ATOM 1342 O HOH A 448 11.648 2.795 0.787 1.00 0.00 O ATOM 1343 H1 HOH A 448 10.849 3.309 0.665 1.00 0.00 H ATOM 1344 H2 HOH A 448 12.162 3.298 1.418 1.00 0.00 H ATOM 1345 O HOH A 449 10.139 3.110 16.639 1.00 0.00 O ATOM 1346 H1 HOH A 449 9.553 3.708 16.177 1.00 0.00 H ATOM 1347 H2 HOH A 449 9.945 2.249 16.268 1.00 0.00 H ATOM 1348 O HOH A 450 7.030 12.478 4.639 1.00 0.00 O ATOM 1349 H1 HOH A 450 7.291 12.760 3.762 1.00 0.00 H ATOM 1350 H2 HOH A 450 6.124 12.772 4.726 1.00 0.00 H ATOM 1351 O HOH A 451 7.394 11.355 0.960 1.00 0.00 O ATOM 1352 H1 HOH A 451 7.843 11.887 0.303 1.00 0.00 H ATOM 1353 H2 HOH A 451 7.551 11.811 1.786 1.00 0.00 H ATOM 1354 O HOH A 452 3.654 15.139 19.314 1.00 0.00 O ATOM 1355 H1 HOH A 452 4.187 14.365 19.137 1.00 0.00 H ATOM 1356 H2 HOH A 452 4.075 15.554 20.067 1.00 0.00 H ATOM 1357 O HOH A 453 5.249 16.243 21.474 1.00 0.00 O ATOM 1358 H1 HOH A 453 5.607 17.116 21.633 1.00 0.00 H ATOM 1359 H2 HOH A 453 4.904 15.967 22.324 1.00 0.00 H ATOM 1360 O HOH A 454 7.741 11.484 15.392 1.00 0.00 O ATOM 1361 H1 HOH A 454 7.981 12.406 15.488 1.00 0.00 H ATOM 1362 H2 HOH A 454 7.480 11.211 16.272 1.00 0.00 H ATOM 1363 O HOH A 455 9.234 12.682 6.531 1.00 0.00 O ATOM 1364 H1 HOH A 455 9.839 12.379 5.853 1.00 0.00 H ATOM 1365 H2 HOH A 455 8.370 12.625 6.125 1.00 0.00 H ATOM 1366 O HOH A 456 8.409 14.509 17.231 1.00 0.00 O ATOM 1367 H1 HOH A 456 8.483 15.251 17.832 1.00 0.00 H ATOM 1368 H2 HOH A 456 9.192 14.564 16.683 1.00 0.00 H ATOM 1369 O HOH A 457 9.504 22.516 3.647 1.00 0.00 O ATOM 1370 H1 HOH A 457 9.405 22.631 2.702 1.00 0.00 H ATOM 1371 H2 HOH A 457 10.450 22.500 3.790 1.00 0.00 H ATOM 1372 O HOH A 458 4.139 5.552 0.783 1.00 0.00 O ATOM 1373 H1 HOH A 458 4.533 5.420 -0.079 1.00 0.00 H ATOM 1374 H2 HOH A 458 4.535 6.362 1.106 1.00 0.00 H ATOM 1375 O HOH A 459 13.682 6.081 7.477 1.00 0.00 O ATOM 1376 H1 HOH A 459 12.982 6.152 8.126 1.00 0.00 H ATOM 1377 H2 HOH A 459 13.622 5.180 7.158 1.00 0.00 H ATOM 1378 O HOH A 460 4.928 7.028 19.402 1.00 0.00 O ATOM 1379 H1 HOH A 460 4.590 6.133 19.367 1.00 0.00 H ATOM 1380 H2 HOH A 460 5.274 7.189 18.524 1.00 0.00 H ATOM 1381 O HOH A 461 7.399 11.075 18.130 1.00 0.00 O ATOM 1382 H1 HOH A 461 7.147 10.301 18.635 1.00 0.00 H ATOM 1383 H2 HOH A 461 8.312 11.232 18.370 1.00 0.00 H ATOM 1384 O HOH A 462 10.463 9.113 0.964 1.00 0.00 O ATOM 1385 H1 HOH A 462 10.015 9.255 0.131 1.00 0.00 H ATOM 1386 H2 HOH A 462 11.275 9.614 0.889 1.00 0.00 H ATOM 1387 O HOH A 463 10.231 10.647 18.624 1.00 0.00 O ATOM 1388 H1 HOH A 463 10.458 9.787 18.977 1.00 0.00 H ATOM 1389 H2 HOH A 463 11.072 11.091 18.513 1.00 0.00 H ATOM 1390 O HOH A 464 15.187 10.677 9.200 1.00 0.00 O ATOM 1391 H1 HOH A 464 15.622 11.030 8.424 1.00 0.00 H ATOM 1392 H2 HOH A 464 15.295 11.357 9.865 1.00 0.00 H ATOM 1393 O HOH A 465 8.912 5.165 21.445 1.00 0.00 O ATOM 1394 H1 HOH A 465 8.009 5.420 21.632 1.00 0.00 H ATOM 1395 H2 HOH A 465 8.860 4.687 20.617 1.00 0.00 H ATOM 1396 O HOH A 466 8.785 8.845 23.421 1.00 0.00 O ATOM 1397 H1 HOH A 466 7.995 8.381 23.699 1.00 0.00 H ATOM 1398 H2 HOH A 466 9.105 8.346 22.669 1.00 0.00 H ATOM 1399 O HOH A 467 10.213 6.937 4.897 1.00 0.00 O ATOM 1400 H1 HOH A 467 9.458 7.233 4.388 1.00 0.00 H ATOM 1401 H2 HOH A 467 10.114 7.369 5.745 1.00 0.00 H ATOM 1402 O HOH A 468 7.086 9.115 20.045 1.00 0.00 O ATOM 1403 H1 HOH A 468 6.424 8.425 20.077 1.00 0.00 H ATOM 1404 H2 HOH A 468 7.868 8.716 20.425 1.00 0.00 H ATOM 1405 O HOH A 469 10.982 5.685 22.973 1.00 0.00 O ATOM 1406 H1 HOH A 469 11.506 4.887 22.906 1.00 0.00 H ATOM 1407 H2 HOH A 469 10.216 5.515 22.424 1.00 0.00 H ATOM 1408 Cl CL A 470 4.528 10.251 5.156 1.00 0.00 Cl ATOM 1409 Du CL A 470 4.420 9.915 4.385 1.00 0.00 H ATOM 1410 Du CL A 470 4.706 10.635 4.341 1.00 0.00 H ATOM 1411 O HOH A 471 5.554 23.881 5.578 1.00 0.00 O ATOM 1412 H1 HOH A 471 5.542 24.017 6.526 1.00 0.00 H ATOM 1413 H2 HOH A 471 6.482 23.904 5.345 1.00 0.00 H ATOM 1414 O HOH A 472 24.109 16.647 2.987 1.00 0.00 O ATOM 1415 H1 HOH A 472 23.187 16.748 3.224 1.00 0.00 H ATOM 1416 H2 HOH A 472 24.566 17.302 3.514 1.00 0.00 H ATOM 1417 O HOH A 473 13.413 3.299 8.250 1.00 0.00 O ATOM 1418 H1 HOH A 473 13.703 2.639 8.879 1.00 0.00 H ATOM 1419 H2 HOH A 473 12.477 3.401 8.423 1.00 0.00 H ATOM 1420 O HOH A 474 19.719 11.165 5.062 1.00 0.00 O ATOM 1421 H1 HOH A 474 19.526 12.087 5.232 1.00 0.00 H ATOM 1422 H2 HOH A 474 19.995 11.142 4.145 1.00 0.00 H ATOM 1423 O HOH A 475 17.294 8.053 7.872 1.00 0.00 O ATOM 1424 H1 HOH A 475 17.563 8.929 7.596 1.00 0.00 H ATOM 1425 H2 HOH A 475 17.475 8.031 8.811 1.00 0.00 H ATOM 1426 O HOH A 476 3.010 10.968 15.649 1.00 0.00 O ATOM 1427 H1 HOH A 476 3.669 10.955 14.954 1.00 0.00 H ATOM 1428 H2 HOH A 476 2.808 10.046 15.804 1.00 0.00 H ATOM 1429 O HOH A 477 3.395 16.946 3.323 1.00 0.00 O ATOM 1430 H1 HOH A 477 3.322 16.809 4.268 1.00 0.00 H ATOM 1431 H2 HOH A 477 2.599 17.423 3.088 1.00 0.00 H ATOM 1432 O HOH A 478 9.441 7.860 20.882 1.00 0.00 O ATOM 1433 H1 HOH A 478 9.293 6.921 20.991 1.00 0.00 H ATOM 1434 H2 HOH A 478 10.014 7.925 20.118 1.00 0.00 H ATOM 1435 O HOH A 479 5.837 8.436 23.752 1.00 0.00 O ATOM 1436 H1 HOH A 479 5.403 7.664 23.388 1.00 0.00 H ATOM 1437 H2 HOH A 479 5.501 9.167 23.233 1.00 0.00 H ATOM 1438 O HOH A 480 12.607 12.617 18.557 1.00 0.00 O ATOM 1439 H1 HOH A 480 12.112 13.069 17.874 1.00 0.00 H ATOM 1440 H2 HOH A 480 13.524 12.783 18.339 1.00 0.00 H ATOM 1441 O HOH A 481 5.444 13.880 14.492 1.00 0.00 O ATOM 1442 H1 HOH A 481 5.414 14.050 15.433 1.00 0.00 H ATOM 1443 H2 HOH A 481 5.620 12.942 14.423 1.00 0.00 H ATOM 1444 O HOH A 482 8.839 9.107 15.720 1.00 0.00 O ATOM 1445 H1 HOH A 482 9.255 9.434 16.518 1.00 0.00 H ATOM 1446 H2 HOH A 482 8.372 9.863 15.365 1.00 0.00 H ATOM 1447 O HOH A 483 11.883 6.198 2.917 1.00 0.00 O ATOM 1448 H1 HOH A 483 11.143 5.730 2.530 1.00 0.00 H ATOM 1449 H2 HOH A 483 11.481 6.879 3.457 1.00 0.00 H ATOM 1450 O HOH A 484 13.030 10.572 20.827 1.00 0.00 O ATOM 1451 H1 HOH A 484 12.928 11.458 20.480 1.00 0.00 H ATOM 1452 H2 HOH A 484 12.691 10.623 21.720 1.00 0.00 H ATOM 1453 O HOH A 485 5.110 8.363 15.840 1.00 0.00 O ATOM 1454 H1 HOH A 485 5.060 7.409 15.791 1.00 0.00 H ATOM 1455 H2 HOH A 485 5.460 8.629 14.990 1.00 0.00 H ATOM 1456 O HOH A 486 6.828 9.695 6.944 1.00 0.00 O ATOM 1457 H1 HOH A 486 6.339 9.392 7.709 1.00 0.00 H ATOM 1458 H2 HOH A 486 6.177 10.146 6.407 1.00 0.00 H ATOM 1459 O HOH A 487 9.907 10.318 11.607 1.00 0.00 O ATOM 1460 H1 HOH A 487 10.698 10.838 11.466 1.00 0.00 H ATOM 1461 H2 HOH A 487 9.229 10.775 11.109 1.00 0.00 H ATOM 1462 O HOH A 488 8.072 8.030 11.626 1.00 0.00 O ATOM 1463 H1 HOH A 488 8.542 8.640 12.195 1.00 0.00 H ATOM 1464 H2 HOH A 488 8.617 7.966 10.841 1.00 0.00 H ATOM 1465 O HOH A 489 16.289 15.044 14.017 1.00 0.00 O ATOM 1466 H1 HOH A 489 15.486 15.362 13.603 1.00 0.00 H ATOM 1467 H2 HOH A 489 15.987 14.563 14.787 1.00 0.00 H ATOM 1468 O HOH A 490 8.338 16.395 7.902 1.00 0.00 O ATOM 1469 H1 HOH A 490 8.285 16.253 6.957 1.00 0.00 H ATOM 1470 H2 HOH A 490 9.269 16.537 8.072 1.00 0.00 H ATOM 1471 O HOH A 491 10.972 12.026 9.462 1.00 0.00 O ATOM 1472 H1 HOH A 491 10.190 11.604 9.107 1.00 0.00 H ATOM 1473 H2 HOH A 491 11.396 12.424 8.702 1.00 0.00 H ATOM 1474 O HOH A 492 8.829 10.772 8.497 1.00 0.00 O ATOM 1475 H1 HOH A 492 8.136 10.554 7.874 1.00 0.00 H ATOM 1476 H2 HOH A 492 8.375 10.884 9.333 1.00 0.00 H ATOM 1477 O HOH A 493 15.236 8.520 13.072 1.00 0.00 O ATOM 1478 H1 HOH A 493 14.646 8.733 13.795 1.00 0.00 H ATOM 1479 H2 HOH A 493 14.680 8.539 12.294 1.00 0.00 H ATOM 1480 O HOH A 494 11.656 14.226 10.898 1.00 0.00 O ATOM 1481 H1 HOH A 494 10.744 14.512 10.947 1.00 0.00 H ATOM 1482 H2 HOH A 494 11.632 13.439 10.353 1.00 0.00 H ATOM 1483 O HOH A 495 10.949 7.924 18.666 1.00 0.00 O ATOM 1484 H1 HOH A 495 11.466 7.123 18.576 1.00 0.00 H ATOM 1485 H2 HOH A 495 11.360 8.543 18.062 1.00 0.00 H ATOM 1486 O HOH A 496 8.801 9.259 4.994 1.00 0.00 O ATOM 1487 H1 HOH A 496 8.012 9.446 5.502 1.00 0.00 H ATOM 1488 H2 HOH A 496 8.940 10.047 4.469 1.00 0.00 H ATOM 1489 O HOH A 497 17.472 7.600 10.535 1.00 0.00 O ATOM 1490 H1 HOH A 497 18.085 7.499 11.262 1.00 0.00 H ATOM 1491 H2 HOH A 497 16.710 8.033 10.921 1.00 0.00 H ATOM 1492 O HOH A 498 10.139 12.955 12.799 1.00 0.00 O ATOM 1493 H1 HOH A 498 10.223 12.317 13.507 1.00 0.00 H ATOM 1494 H2 HOH A 498 11.038 13.112 12.509 1.00 0.00 H ATOM 1495 O HOH A 499 14.382 15.065 7.069 1.00 0.00 O ATOM 1496 H1 HOH A 499 14.123 15.474 6.243 1.00 0.00 H ATOM 1497 H2 HOH A 499 13.781 14.327 7.170 1.00 0.00 H ATOM 1498 O HOH A 500 7.863 11.570 10.786 1.00 0.00 O ATOM 1499 H1 HOH A 500 7.519 12.441 10.590 1.00 0.00 H ATOM 1500 H2 HOH A 500 7.698 11.451 11.721 1.00 0.00 H ATOM 1501 O HOH A 501 13.442 18.850 13.438 1.00 0.00 O ATOM 1502 H1 HOH A 501 14.076 18.799 12.723 1.00 0.00 H ATOM 1503 H2 HOH A 501 13.959 18.695 14.229 1.00 0.00 H TER 1504 HOH A 501 ENDMDL