HEADER TITLE TITLE 2 TITLE 3 REMARK 4 XXXX COMPLIES WITH FORMAT V. 2.1, 25-OCT-1996 CRYST1 10.000 20.000 30.000 90.00 90.00 90.00 ATOM 1 C1 etl 1 0.281 -0.223 -1.161 0.00 C ATOM 2 2H1 etl 1 -0.229 0.182 -2.042 0.00 H ATOM 3 3H1 etl 1 0.230 -1.315 -1.184 0.00 H ATOM 4 4H1 etl 1 1.333 0.074 -1.184 0.00 H ATOM 5 C2 etl 1 -0.366 0.290 0.126 0.00 C ATOM 6 2H2 etl 1 -1.427 -0.004 0.151 0.00 H ATOM 7 3H2 etl 1 -0.320 1.390 0.151 0.00 H ATOM 8 O etl 1 0.397 -0.315 1.218 0.00 O ATOM 9 H etl 1 -0.000 0.000 2.075 0.00 H TER ATOM 10 OW HOH 2 3.945 1.527 -13.927 340.60 O ATOM 11 2HW HOH 2 4.034 0.692 -13.384 251.89 H ATOM 12 3HW HOH 2 3.651 2.279 -13.338 320.12 H ATOM 13 OW HOH 3 3.945 1.527 4.624 340.60 O ATOM 14 2HW HOH 3 4.034 0.692 5.167 251.89 H ATOM 15 3HW HOH 3 3.651 2.279 5.214 320.12 H ATOM 16 OW HOH 4 -3.276 3.567 -11.966 79.12 O ATOM 17 2HW HOH 4 -3.435 4.495 -12.302 146.87 H ATOM 18 3HW HOH 4 -3.846 2.924 -12.479 32.97 H ATOM 19 OW HOH 5 -3.276 3.567 6.585 79.12 O ATOM 20 2HW HOH 5 -3.435 4.495 6.249 146.87 H ATOM 21 3HW HOH 5 -3.846 2.924 6.072 32.97 H ATOM 22 OW HOH 6 0.581 -6.570 -8.777 154.51 O ATOM 23 2HW HOH 6 0.004 -7.330 -9.077 208.25 H ATOM 24 3HW HOH 6 0.287 -5.728 -9.229 210.00 H ATOM 25 OW HOH 7 0.581 -6.570 9.774 154.51 O ATOM 26 2HW HOH 7 0.004 -7.330 9.474 208.25 H ATOM 27 3HW HOH 7 0.287 -5.728 9.322 210.00 H ATOM 28 OW HOH 8 -2.903 -6.287 -0.645 134.82 O ATOM 29 2HW HOH 8 -3.654 -6.677 -1.178 31.23 H ATOM 30 3HW HOH 8 -3.074 -5.314 -0.489 13.10 H ATOM 31 OW HOH 9 1.289 -5.431 2.189 999.99 O ATOM 32 2HW HOH 9 1.325 -6.005 1.371 76.59 H ATOM 33 3HW HOH 9 2.213 -5.127 2.424 122.26 H ATOM 34 OW HOH 10 -2.350 8.021 -11.975 102.09 O ATOM 35 2HW HOH 10 -1.434 7.634 -11.875 526.54 H ATOM 36 3HW HOH 10 -2.280 8.982 -12.244 39.02 H ATOM 37 OW HOH 11 -2.350 8.021 6.577 102.09 O ATOM 38 2HW HOH 11 -1.434 7.634 6.676 526.54 H ATOM 39 3HW HOH 11 -2.280 8.982 6.308 39.02 H ATOM 40 OW HOH 12 3.873 1.490 0.320 453.83 O ATOM 41 2HW HOH 12 3.088 1.700 0.903 20.61 H ATOM 42 3HW HOH 12 3.552 1.108 -0.547 36.53 H ATOM 43 OW HOH 13 -2.967 4.718 -9.549 484.07 O ATOM 44 2HW HOH 13 -3.018 4.213 -10.410 154.98 H ATOM 45 3HW HOH 13 -3.568 5.516 -9.593 443.69 H ATOM 46 OW HOH 14 -2.967 4.718 9.003 484.07 O ATOM 47 2HW HOH 14 -3.018 4.213 8.141 154.98 H ATOM 48 3HW HOH 14 -3.568 5.516 8.958 443.69 H ATOM 49 OW HOH 15 4.867 -0.950 -12.846 64.26 O ATOM 50 2HW HOH 15 4.399 -1.287 -13.662 358.65 H ATOM 51 3HW HOH 15 4.908 -1.677 -12.160 406.70 H ATOM 52 OW HOH 16 4.867 -0.950 5.706 64.26 O ATOM 53 2HW HOH 16 4.399 -1.287 4.889 358.65 H ATOM 54 3HW HOH 16 4.908 -1.677 6.391 406.70 H ATOM 55 OW HOH 17 -4.183 -6.138 3.590 108.56 O ATOM 56 2HW HOH 17 -4.423 -5.193 3.369 12.19 H ATOM 57 3HW HOH 17 -3.562 -6.497 2.893 115.12 H ATOM 58 OW HOH 18 -2.599 6.360 -6.464 444.91 O ATOM 59 2HW HOH 18 -2.030 6.580 -5.672 115.38 H ATOM 60 3HW HOH 18 -2.717 5.369 -6.526 174.47 H ATOM 61 OW HOH 19 -2.599 6.360 12.087 444.91 O ATOM 62 2HW HOH 19 -2.030 6.580 12.879 115.38 H ATOM 63 3HW HOH 19 -2.717 5.369 12.025 174.47 H ATOM 64 OW HOH 20 3.233 -5.181 -11.748 162.80 O ATOM 65 2HW HOH 20 2.428 -5.773 -11.692 172.04 H ATOM 66 3HW HOH 20 2.994 -4.337 -12.227 390.92 H ATOM 67 OW HOH 21 3.233 -5.181 6.803 162.80 O ATOM 68 2HW HOH 21 2.428 -5.773 6.859 172.04 H ATOM 69 3HW HOH 21 2.994 -4.337 6.324 390.92 H ATOM 70 OW HOH 22 2.628 -0.276 -6.622 295.06 O ATOM 71 2HW HOH 22 1.919 -0.664 -6.034 85.82 H ATOM 72 3HW HOH 22 3.483 -0.776 -6.489 44.38 H ATOM 73 OW HOH 23 2.628 -0.276 11.929 295.06 O ATOM 74 2HW HOH 23 1.919 -0.664 12.518 85.82 H ATOM 75 3HW HOH 23 3.483 -0.776 12.062 44.38 H ATOM 76 OW HOH 24 -1.543 2.562 -5.397 388.14 O ATOM 77 2HW HOH 24 -1.697 2.892 -6.328 107.06 H ATOM 78 3HW HOH 24 -2.207 2.982 -4.779 148.43 H ATOM 79 OW HOH 25 -1.543 2.562 13.154 388.14 O ATOM 80 2HW HOH 25 -1.697 2.892 12.223 107.06 H ATOM 81 3HW HOH 25 -2.207 2.982 13.772 148.43 H ATOM 82 OW HOH 26 0.852 -9.333 0.184 443.86 O ATOM 83 2HW HOH 26 0.700 -9.628 1.127 106.73 H ATOM 84 3HW HOH 26 1.543 -9.916 -0.241 142.96 H ATOM 85 OW HOH 27 0.852 9.219 0.184 443.86 O ATOM 86 2HW HOH 27 0.700 8.924 1.127 106.73 H ATOM 87 3HW HOH 27 1.543 8.635 -0.241 142.96 H ATOM 88 OW HOH 28 -3.722 5.868 -13.095 84.14 O ATOM 89 2HW HOH 28 -3.370 5.474 -13.944 249.00 H ATOM 90 3HW HOH 28 -3.046 6.499 -12.715 695.68 H ATOM 91 OW HOH 29 -3.722 5.868 5.456 84.14 O ATOM 92 2HW HOH 29 -3.370 5.474 4.607 249.00 H ATOM 93 3HW HOH 29 -3.046 6.499 5.836 695.68 H ATOM 94 OW HOH 30 4.966 -1.760 -3.404 504.35 O ATOM 95 2HW HOH 30 4.392 -1.688 -2.588 25.73 H ATOM 96 3HW HOH 30 5.187 -0.843 -3.738 41.41 H ATOM 97 OW HOH 31 -2.708 -3.692 -7.052 68.12 O ATOM 98 2HW HOH 31 -1.808 -3.287 -6.893 222.90 H ATOM 99 3HW HOH 31 -2.619 -4.470 -7.675 90.85 H ATOM 100 OW HOH 32 -2.708 -3.692 11.499 68.12 O ATOM 101 2HW HOH 32 -1.808 -3.287 11.659 222.90 H ATOM 102 3HW HOH 32 -2.619 -4.470 10.877 90.85 H ATOM 103 OW HOH 33 -1.682 -1.108 -11.339 158.62 O ATOM 104 2HW HOH 33 -0.961 -1.615 -10.867 27.67 H ATOM 105 3HW HOH 33 -1.659 -0.150 -11.053 382.35 H ATOM 106 OW HOH 34 -1.682 -1.108 7.212 158.62 O ATOM 107 2HW HOH 34 -0.961 -1.615 7.684 27.67 H ATOM 108 3HW HOH 34 -1.659 -0.150 7.499 382.35 H ATOM 109 OW HOH 35 -0.687 -8.555 -10.276 154.98 O ATOM 110 2HW HOH 35 -1.672 -8.452 -10.417 515.63 H ATOM 111 3HW HOH 35 -0.506 -9.416 -9.800 373.01 H ATOM 112 OW HOH 36 -0.687 -8.555 8.276 154.98 O ATOM 113 2HW HOH 36 -1.672 -8.452 8.134 515.63 H ATOM 114 3HW HOH 36 -0.506 -9.416 8.751 373.01 H ATOM 115 OW HOH 37 -0.687 9.996 -10.276 154.98 O ATOM 116 2HW HOH 37 -1.672 10.099 -10.417 515.63 H ATOM 117 3HW HOH 37 -0.506 9.135 -9.800 373.01 H ATOM 118 OW HOH 38 -0.687 9.996 8.276 154.98 O ATOM 119 2HW HOH 38 -1.672 10.099 8.134 515.63 H ATOM 120 3HW HOH 38 -0.506 9.135 8.751 373.01 H ATOM 121 OW HOH 39 3.372 -1.843 3.559 528.47 O ATOM 122 2HW HOH 39 3.649 -2.718 3.162 34.87 H ATOM 123 3HW HOH 39 3.112 -1.212 2.829 56.81 H ATOM 124 OW HOH 40 -0.986 -5.387 -12.583 384.07 O ATOM 125 2HW HOH 40 -0.734 -4.881 -13.408 575.51 H ATOM 126 3HW HOH 40 -1.835 -5.889 -12.745 411.44 H ATOM 127 OW HOH 41 -0.986 -5.387 5.969 384.07 O ATOM 128 2HW HOH 41 -0.734 -4.881 5.144 575.51 H ATOM 129 3HW HOH 41 -1.835 -5.889 5.806 411.44 H ATOM 130 OW HOH 42 4.968 6.607 -4.569 474.88 O ATOM 131 2HW HOH 42 5.316 5.673 -4.489 111.93 H ATOM 132 3HW HOH 42 3.989 6.618 -4.365 44.66 H ATOM 133 OW HOH 43 4.968 6.607 13.982 474.88 O ATOM 134 2HW HOH 43 5.316 5.673 14.062 111.93 H ATOM 135 3HW HOH 43 3.989 6.618 14.186 44.66 H ATOM 136 OW HOH 44 -0.082 -8.381 -4.615 259.30 O ATOM 137 2HW HOH 44 -0.435 -9.271 -4.904 614.09 H ATOM 138 3HW HOH 44 -0.620 -8.044 -3.843 34.82 H ATOM 139 OW HOH 45 -0.082 -8.381 13.936 259.30 O ATOM 140 2HW HOH 45 -0.435 -9.271 13.647 614.09 H ATOM 141 3HW HOH 45 -0.620 -8.044 14.709 34.82 H ATOM 142 OW HOH 46 -0.082 10.170 -4.615 259.30 O ATOM 143 2HW HOH 46 -0.435 9.280 -4.904 614.09 H ATOM 144 3HW HOH 46 -0.620 10.508 -3.843 34.82 H ATOM 145 OW HOH 47 -0.082 10.170 13.936 259.30 O ATOM 146 2HW HOH 47 -0.435 9.280 13.647 614.09 H ATOM 147 3HW HOH 47 -0.620 10.508 14.709 34.82 H ATOM 148 OW HOH 48 2.558 1.074 -10.085 102.42 O ATOM 149 2HW HOH 48 1.979 1.233 -9.285 155.59 H ATOM 150 3HW HOH 48 2.816 0.108 -10.122 109.68 H ATOM 151 OW HOH 49 2.558 1.074 8.467 102.42 O ATOM 152 2HW HOH 49 1.979 1.233 9.266 155.59 H ATOM 153 3HW HOH 49 2.816 0.108 8.429 109.68 H ATOM 154 OW HOH 50 5.352 4.522 -13.734 297.73 O ATOM 155 2HW HOH 50 4.709 4.981 -14.347 12.56 H ATOM 156 3HW HOH 50 4.884 3.780 -13.254 284.94 H ATOM 157 OW HOH 51 5.352 4.522 4.818 297.73 O ATOM 158 2HW HOH 51 4.709 4.981 4.204 12.56 H ATOM 159 3HW HOH 51 4.884 3.780 5.297 284.94 H ATOM 160 OW HOH 52 3.128 -9.268 -12.427 473.41 O ATOM 161 2HW HOH 52 3.847 -9.541 -11.788 34.62 H ATOM 162 3HW HOH 52 2.649 -8.467 -12.068 98.93 H ATOM 163 OW HOH 53 3.128 -9.268 6.125 473.41 O ATOM 164 2HW HOH 53 3.847 -9.541 6.764 34.62 H ATOM 165 3HW HOH 53 2.649 -8.467 6.483 98.93 H ATOM 166 OW HOH 54 3.128 9.283 -12.427 473.41 O ATOM 167 2HW HOH 54 3.847 9.010 -11.788 34.62 H ATOM 168 3HW HOH 54 2.649 10.084 -12.068 98.93 H ATOM 169 OW HOH 55 3.128 9.283 6.125 473.41 O ATOM 170 2HW HOH 55 3.847 9.010 6.764 34.62 H ATOM 171 3HW HOH 55 2.649 10.084 6.483 98.93 H ATOM 172 OW HOH 56 4.887 3.452 -1.776 97.71 O ATOM 173 2HW HOH 56 4.680 2.633 -1.241 264.77 H ATOM 174 3HW HOH 56 5.292 4.146 -1.180 999.99 H ATOM 175 OW HOH 57 0.405 6.992 -12.081 71.05 O ATOM 176 2HW HOH 57 0.585 6.835 -11.110 251.87 H ATOM 177 3HW HOH 57 1.269 7.136 -12.562 91.92 H ATOM 178 OW HOH 58 0.405 6.992 6.470 71.05 O ATOM 179 2HW HOH 58 0.585 6.835 7.441 251.87 H ATOM 180 3HW HOH 58 1.269 7.136 5.989 91.92 H ATOM 181 OW HOH 59 2.959 7.551 -14.884 124.78 O ATOM 182 2HW HOH 59 3.538 6.892 -15.364 56.85 H ATOM 183 3HW HOH 59 3.495 8.012 -14.177 87.57 H ATOM 184 OW HOH 60 2.959 7.551 3.668 124.78 O ATOM 185 2HW HOH 60 3.538 6.892 3.187 56.85 H ATOM 186 3HW HOH 60 3.495 8.012 4.375 87.57 H ATOM 187 OW HOH 61 -4.520 -9.410 1.507 92.65 O ATOM 188 2HW HOH 61 -4.858 -9.105 2.397 140.51 H ATOM 189 3HW HOH 61 -5.114 -10.132 1.154 81.78 H ATOM 190 OW HOH 62 -4.520 9.142 1.507 92.65 O ATOM 191 2HW HOH 62 -4.858 9.447 2.397 140.51 H ATOM 192 3HW HOH 62 -5.114 8.419 1.154 81.78 H ATOM 193 OW HOH 63 -3.175 -0.713 -5.814 189.04 O ATOM 194 2HW HOH 63 -3.684 0.071 -5.459 177.68 H ATOM 195 3HW HOH 63 -2.646 -1.130 -5.075 100.84 H ATOM 196 OW HOH 64 -3.175 -0.713 12.737 189.04 O ATOM 197 2HW HOH 64 -3.684 0.071 13.092 177.68 H ATOM 198 3HW HOH 64 -2.646 -1.130 13.476 100.84 H ATOM 199 OW HOH 65 -0.423 -6.186 -6.368 938.70 O ATOM 200 2HW HOH 65 -0.046 -6.417 -7.265 79.70 H ATOM 201 3HW HOH 65 -0.228 -6.925 -5.723 372.40 H ATOM 202 OW HOH 66 -0.423 -6.186 12.183 938.70 O ATOM 203 2HW HOH 66 -0.046 -6.417 11.286 79.70 H ATOM 204 3HW HOH 66 -0.228 -6.925 12.828 372.40 H ATOM 205 OW HOH 67 1.303 4.840 1.154 737.21 O ATOM 206 2HW HOH 67 0.387 5.193 1.344 15.00 H ATOM 207 3HW HOH 67 1.619 5.190 0.272 215.79 H ATOM 208 OW HOH 68 -1.985 -2.274 -3.676 673.77 O ATOM 209 2HW HOH 68 -2.183 -3.224 -3.917 58.31 H ATOM 210 3HW HOH 68 -2.798 -1.856 -3.271 241.25 H ATOM 211 OW HOH 69 -1.985 -2.274 14.876 673.77 O ATOM 212 2HW HOH 69 -2.183 -3.224 14.634 58.31 H ATOM 213 3HW HOH 69 -2.798 -1.856 15.280 241.25 H ATOM 214 OW HOH 70 4.606 -7.293 -14.152 120.83 O ATOM 215 2HW HOH 70 5.054 -6.987 -13.313 12.87 H ATOM 216 3HW HOH 70 3.809 -7.852 -13.921 226.69 H ATOM 217 OW HOH 71 4.606 -7.293 4.399 120.83 O ATOM 218 2HW HOH 71 5.054 -6.987 5.239 12.87 H ATOM 219 3HW HOH 71 3.809 -7.852 4.630 226.69 H ATOM 220 OW HOH 72 -3.606 -2.570 -10.749 459.48 O ATOM 221 2HW HOH 72 -3.878 -2.409 -9.800 2.25 H ATOM 222 3HW HOH 72 -2.819 -1.995 -10.972 293.73 H ATOM 223 OW HOH 73 -3.606 -2.570 7.803 459.48 O ATOM 224 2HW HOH 73 -3.878 -2.409 8.751 2.25 H ATOM 225 3HW HOH 73 -2.819 -1.995 7.579 293.73 H ATOM 226 OW HOH 74 -3.263 -5.846 -9.258 447.96 O ATOM 227 2HW HOH 74 -4.196 -5.492 -9.321 72.15 H ATOM 228 3HW HOH 74 -2.640 -5.232 -9.743 75.30 H ATOM 229 OW HOH 75 -3.263 -5.846 9.293 447.96 O ATOM 230 2HW HOH 75 -4.196 -5.492 9.230 72.15 H ATOM 231 3HW HOH 75 -2.640 -5.232 8.809 75.30 H ATOM 232 OW HOH 76 3.408 1.819 -4.260 248.47 O ATOM 233 2HW HOH 76 2.770 1.361 -4.879 125.63 H ATOM 234 3HW HOH 76 3.668 2.705 -4.644 71.00 H ATOM 235 OW HOH 77 3.408 1.819 14.291 248.47 O ATOM 236 2HW HOH 77 2.770 1.361 13.672 125.63 H ATOM 237 3HW HOH 77 3.668 2.705 13.908 71.00 H ATOM 238 OW HOH 78 0.449 -2.050 -9.818 214.49 O ATOM 239 2HW HOH 78 0.345 -2.174 -8.831 176.50 H ATOM 240 3HW HOH 78 1.320 -1.595 -10.007 186.15 H ATOM 241 OW HOH 79 0.449 -2.050 8.734 214.49 O ATOM 242 2HW HOH 79 0.345 -2.174 9.720 176.50 H ATOM 243 3HW HOH 79 1.320 -1.595 8.545 186.15 H ATOM 244 OW HOH 80 -0.359 -7.683 3.280 213.72 O ATOM 245 2HW HOH 80 -0.272 -6.751 3.631 11.47 H ATOM 246 3HW HOH 80 -1.090 -7.716 2.599 116.04 H ATOM 247 OW HOH 81 5.022 -6.953 -11.216 123.11 O ATOM 248 2HW HOH 81 4.275 -6.290 -11.269 375.20 H ATOM 249 3HW HOH 81 4.676 -7.818 -10.853 13.33 H ATOM 250 OW HOH 82 5.022 -6.953 7.335 123.11 O ATOM 251 2HW HOH 82 4.275 -6.290 7.282 375.20 H ATOM 252 3HW HOH 82 4.676 -7.818 7.699 13.33 H ATOM 253 OW HOH 83 -1.508 0.456 -8.126 117.01 O ATOM 254 2HW HOH 83 -2.247 0.341 -7.462 188.73 H ATOM 255 3HW HOH 83 -1.897 0.631 -9.031 259.81 H ATOM 256 OW HOH 84 -1.508 0.456 10.425 117.01 O ATOM 257 2HW HOH 84 -2.247 0.341 11.089 188.73 H ATOM 258 3HW HOH 84 -1.897 0.631 9.520 259.81 H ATOM 259 OW HOH 85 -0.761 -6.881 -2.312 289.33 O ATOM 260 2HW HOH 85 -1.583 -6.707 -1.770 162.95 H ATOM 261 3HW HOH 85 0.050 -6.738 -1.744 295.99 H ATOM 262 OW HOH 86 -3.905 5.553 2.172 895.28 O ATOM 263 2HW HOH 86 -2.942 5.820 2.146 65.70 H ATOM 264 3HW HOH 86 -4.370 5.901 1.358 59.63 H ATOM 265 OW HOH 87 -4.631 0.192 1.647 225.93 O ATOM 266 2HW HOH 87 -5.538 0.068 2.049 262.63 H ATOM 267 3HW HOH 87 -4.259 1.076 1.929 353.38 H ATOM 268 OW HOH 88 -4.724 -8.363 -3.330 313.85 O ATOM 269 2HW HOH 88 -4.092 -7.831 -3.893 59.07 H ATOM 270 3HW HOH 88 -4.735 -7.994 -2.401 9.59 H ATOM 271 OW HOH 89 -4.822 1.146 -4.461 11.92 O ATOM 272 2HW HOH 89 -4.425 2.063 -4.416 61.51 H ATOM 273 3HW HOH 89 -5.749 1.201 -4.832 418.19 H ATOM 274 OW HOH 90 -4.822 1.146 14.090 11.92 O ATOM 275 2HW HOH 90 -4.425 2.063 14.135 61.51 H ATOM 276 3HW HOH 90 -5.749 1.201 13.719 418.19 H ATOM 277 OW HOH 91 0.162 -4.318 -4.569 190.05 O ATOM 278 2HW HOH 91 -0.245 -3.413 -4.694 681.76 H ATOM 279 3HW HOH 91 -0.262 -4.965 -5.203 49.88 H ATOM 280 OW HOH 92 0.162 -4.318 13.982 190.05 O ATOM 281 2HW HOH 92 -0.245 -3.413 13.857 681.76 H ATOM 282 3HW HOH 92 -0.262 -4.965 13.349 49.88 H ATOM 283 OW HOH 93 -5.142 7.663 -5.144 584.91 O ATOM 284 2HW HOH 93 -4.964 8.454 -4.558 137.38 H ATOM 285 3HW HOH 93 -4.286 7.355 -5.559 30.77 H ATOM 286 OW HOH 94 -5.142 7.663 13.407 584.91 O ATOM 287 2HW HOH 94 -4.964 8.454 13.993 137.38 H ATOM 288 3HW HOH 94 -4.286 7.355 12.992 30.77 H ATOM 289 OW HOH 95 -3.292 2.660 2.597 109.01 O ATOM 290 2HW HOH 95 -2.530 2.428 1.992 8.80 H ATOM 291 3HW HOH 95 -3.717 3.511 2.287 455.17 H ATOM 292 OW HOH 96 0.854 3.974 -6.736 483.42 O ATOM 293 2HW HOH 96 0.767 3.003 -6.958 699.97 H ATOM 294 3HW HOH 96 0.439 4.520 -7.464 364.47 H ATOM 295 OW HOH 97 0.854 3.974 11.815 483.42 O ATOM 296 2HW HOH 97 0.767 3.003 11.594 699.97 H ATOM 297 3HW HOH 97 0.439 4.520 11.087 364.47 H ATOM 298 OW HOH 98 -1.302 1.484 -10.908 112.87 O ATOM 299 2HW HOH 98 -0.597 2.138 -10.633 527.77 H ATOM 300 3HW HOH 98 -1.852 1.876 -11.646 172.00 H ATOM 301 OW HOH 99 -1.302 1.484 7.643 112.87 O ATOM 302 2HW HOH 99 -0.597 2.138 7.918 527.77 H ATOM 303 3HW HOH 99 -1.852 1.876 6.906 172.00 H ATOM 304 OW HOH 100 4.892 7.698 -0.315 78.97 O ATOM 305 2HW HOH 100 4.141 7.545 -0.957 63.24 H ATOM 306 3HW HOH 100 5.575 8.295 -0.735 188.83 H ATOM 307 OW HOH 101 0.413 2.629 -13.788 774.03 O ATOM 308 2HW HOH 101 0.691 2.250 -14.671 54.93 H ATOM 309 3HW HOH 101 -0.088 1.936 -13.270 334.49 H ATOM 310 OW HOH 102 0.413 2.629 4.763 774.03 O ATOM 311 2HW HOH 102 0.691 2.250 3.880 54.93 H ATOM 312 3HW HOH 102 -0.088 1.936 5.281 334.49 H ATOM 313 OW HOH 103 -3.488 3.255 -3.779 555.98 O ATOM 314 2HW HOH 103 -3.123 3.259 -2.848 361.45 H ATOM 315 3HW HOH 103 -4.238 3.914 -3.846 89.89 H ATOM 316 OW HOH 104 3.965 -6.784 -5.588 135.11 O ATOM 317 2HW HOH 104 3.744 -5.930 -5.117 86.66 H ATOM 318 3HW HOH 104 4.284 -6.583 -6.514 182.51 H ATOM 319 OW HOH 105 3.965 -6.784 12.964 135.11 O ATOM 320 2HW HOH 105 3.744 -5.930 13.434 86.66 H ATOM 321 3HW HOH 105 4.284 -6.583 12.038 182.51 H ATOM 322 OW HOH 106 -5.073 -4.614 -12.093 129.54 O ATOM 323 2HW HOH 106 -4.536 -5.322 -12.551 90.17 H ATOM 324 3HW HOH 106 -4.464 -4.022 -11.566 1.37 H ATOM 325 OW HOH 107 -5.073 -4.614 6.459 129.54 O ATOM 326 2HW HOH 107 -4.536 -5.322 6.000 90.17 H ATOM 327 3HW HOH 107 -4.464 -4.022 6.986 1.37 H ATOM 328 OW HOH 108 -1.338 6.554 2.361 142.81 O ATOM 329 2HW HOH 108 -0.843 7.422 2.382 77.73 H ATOM 330 3HW HOH 108 -1.019 5.970 3.108 92.73 H ATOM 331 OW HOH 109 -3.503 3.722 -7.088 61.91 O ATOM 332 2HW HOH 109 -3.527 3.835 -8.081 60.40 H ATOM 333 3HW HOH 109 -4.364 3.319 -6.777 76.17 H ATOM 334 OW HOH 110 -3.503 3.722 11.464 61.91 O ATOM 335 2HW HOH 110 -3.527 3.835 10.470 60.40 H ATOM 336 3HW HOH 110 -4.364 3.319 11.774 76.17 H ATOM 337 OW HOH 111 -4.748 0.965 -0.962 27.86 O ATOM 338 2HW HOH 111 -4.512 0.375 -1.733 475.81 H ATOM 339 3HW HOH 111 -4.586 0.476 -0.105 36.28 H ATOM 340 OW HOH 112 -1.400 7.408 -4.121 87.07 O ATOM 341 2HW HOH 112 -1.597 8.006 -3.344 184.92 H ATOM 342 3HW HOH 112 -0.941 6.580 -3.797 48.49 H ATOM 343 OW HOH 113 -1.400 7.408 14.430 87.07 O ATOM 344 2HW HOH 113 -1.597 8.006 15.207 184.92 H ATOM 345 3HW HOH 113 -0.941 6.580 14.754 48.49 H ATOM 346 OW HOH 114 -0.284 5.229 -9.109 370.65 O ATOM 347 2HW HOH 114 0.099 4.623 -9.806 116.56 H ATOM 348 3HW HOH 114 -1.281 5.232 -9.180 266.70 H ATOM 349 OW HOH 115 -0.284 5.229 9.442 370.65 O ATOM 350 2HW HOH 115 0.099 4.623 8.745 116.56 H ATOM 351 3HW HOH 115 -1.281 5.232 9.372 266.70 H ATOM 352 OW HOH 116 0.255 -4.005 -0.738 655.31 O ATOM 353 2HW HOH 116 -0.210 -3.987 -1.623 1.94 H ATOM 354 3HW HOH 116 0.528 -4.943 -0.523 64.00 H ATOM 355 OW HOH 117 0.506 -10.092 2.793 461.22 O ATOM 356 2HW HOH 117 1.339 -10.356 3.278 146.57 H ATOM 357 3HW HOH 117 0.142 -9.249 3.190 62.69 H ATOM 358 OW HOH 118 0.506 8.460 2.793 461.22 O ATOM 359 2HW HOH 118 1.339 8.195 3.278 146.57 H ATOM 360 3HW HOH 118 0.142 9.302 3.190 62.69 H ATOM 361 OW HOH 119 3.492 -4.791 -1.418 213.55 O ATOM 362 2HW HOH 119 4.335 -5.324 -1.483 178.41 H ATOM 363 3HW HOH 119 3.089 -4.691 -2.328 533.09 H ATOM 364 OW HOH 120 1.344 -6.632 -0.653 935.84 O ATOM 365 2HW HOH 120 2.235 -6.207 -0.812 158.54 H ATOM 366 3HW HOH 120 1.475 -7.569 -0.329 442.44 H ATOM 367 OW HOH 121 -2.225 8.752 -7.869 309.45 O ATOM 368 2HW HOH 121 -2.448 8.008 -7.239 187.73 H ATOM 369 3HW HOH 121 -1.351 8.560 -8.316 250.40 H ATOM 370 OW HOH 122 -2.225 8.752 10.682 309.45 O ATOM 371 2HW HOH 122 -2.448 8.008 11.312 187.73 H ATOM 372 3HW HOH 122 -1.351 8.560 10.235 250.40 H ATOM 373 OW HOH 123 0.222 4.871 -4.073 212.48 O ATOM 374 2HW HOH 123 0.534 4.539 -4.963 31.54 H ATOM 375 3HW HOH 123 -0.338 4.170 -3.632 30.73 H ATOM 376 OW HOH 124 0.222 4.871 14.478 212.48 O ATOM 377 2HW HOH 124 0.534 4.539 13.588 31.54 H ATOM 378 3HW HOH 124 -0.338 4.170 14.919 30.73 H ATOM 379 OW HOH 125 -3.944 -4.170 -4.607 70.00 O ATOM 380 2HW HOH 125 -3.551 -4.064 -5.521 7.45 H ATOM 381 3HW HOH 125 -3.848 -5.120 -4.311 373.78 H ATOM 382 OW HOH 126 -3.944 -4.170 13.944 70.00 O ATOM 383 2HW HOH 126 -3.551 -4.064 13.031 7.45 H ATOM 384 3HW HOH 126 -3.848 -5.120 14.241 373.78 H ATOM 385 OW HOH 127 2.500 8.107 -1.557 63.52 O ATOM 386 2HW HOH 127 2.371 8.806 -2.261 9.37 H ATOM 387 3HW HOH 127 2.226 7.216 -1.918 126.66 H ATOM 388 OW HOH 128 -1.674 4.035 -1.828 485.78 O ATOM 389 2HW HOH 128 -1.864 4.939 -1.446 26.29 H ATOM 390 3HW HOH 128 -0.999 3.567 -1.258 117.92 H ATOM 391 OW HOH 129 1.078 -6.918 -11.957 240.40 O ATOM 392 2HW HOH 129 0.401 -6.211 -12.163 108.18 H ATOM 393 3HW HOH 129 0.619 -7.717 -11.569 37.32 H ATOM 394 OW HOH 130 1.078 -6.918 6.594 240.40 O ATOM 395 2HW HOH 130 0.401 -6.211 6.388 108.18 H ATOM 396 3HW HOH 130 0.619 -7.717 6.982 37.32 H ATOM 397 OW HOH 131 -0.818 -0.105 -13.641 132.25 O ATOM 398 2HW HOH 131 -1.621 -0.032 -14.233 73.06 H ATOM 399 3HW HOH 131 -1.081 -0.530 -12.774 130.26 H ATOM 400 OW HOH 132 -0.818 -0.105 4.911 132.25 O ATOM 401 2HW HOH 132 -1.621 -0.032 4.318 73.06 H ATOM 402 3HW HOH 132 -1.081 -0.530 5.777 130.26 H ATOM 403 OW HOH 133 -3.998 -7.984 -7.435 548.33 O ATOM 404 2HW HOH 133 -3.335 -8.721 -7.567 272.66 H ATOM 405 3HW HOH 133 -3.747 -7.202 -8.006 357.12 H ATOM 406 OW HOH 134 -3.998 -7.984 11.116 548.33 O ATOM 407 2HW HOH 134 -3.335 -8.721 10.984 272.66 H ATOM 408 3HW HOH 134 -3.747 -7.202 10.545 357.12 H ATOM 409 OW HOH 135 0.654 -0.969 -4.889 220.70 O ATOM 410 2HW HOH 135 1.182 -1.336 -4.123 613.90 H ATOM 411 3HW HOH 135 -0.099 -0.411 -4.539 19.06 H ATOM 412 OW HOH 136 0.654 -0.969 13.662 220.70 O ATOM 413 2HW HOH 136 1.182 -1.336 14.428 613.90 H ATOM 414 3HW HOH 136 -0.099 -0.411 14.012 19.06 H ATOM 415 OW HOH 137 -4.185 -1.132 -2.915 592.68 O ATOM 416 2HW HOH 137 -4.976 -1.664 -2.611 182.68 H ATOM 417 3HW HOH 137 -4.490 -0.398 -3.521 82.71 H ATOM 418 OW HOH 138 0.949 1.424 -7.884 222.36 O ATOM 419 2HW HOH 138 1.610 0.910 -7.338 61.79 H ATOM 420 3HW HOH 138 0.089 0.915 -7.932 289.16 H ATOM 421 OW HOH 139 0.949 1.424 10.667 222.36 O ATOM 422 2HW HOH 139 1.610 0.910 11.214 61.79 H ATOM 423 3HW HOH 139 0.089 0.915 10.619 289.16 H ATOM 424 OW HOH 140 2.063 -3.079 -13.058 587.07 O ATOM 425 2HW HOH 140 2.461 -2.671 -13.880 15.63 H ATOM 426 3HW HOH 140 1.130 -3.381 -13.254 93.96 H ATOM 427 OW HOH 141 2.063 -3.079 5.493 587.07 O ATOM 428 2HW HOH 141 2.461 -2.671 4.672 15.63 H ATOM 429 3HW HOH 141 1.130 -3.381 5.297 93.96 H ATOM 430 OW HOH 142 3.827 -3.535 -6.337 130.97 O ATOM 431 2HW HOH 142 4.207 -2.624 -6.499 121.81 H ATOM 432 3HW HOH 142 3.438 -3.891 -7.187 46.92 H ATOM 433 OW HOH 143 3.827 -3.535 12.214 130.97 O ATOM 434 2HW HOH 143 4.207 -2.624 12.052 121.81 H ATOM 435 3HW HOH 143 3.438 -3.891 11.364 46.92 H ATOM 436 OW HOH 144 2.404 -9.159 -4.824 62.27 O ATOM 437 2HW HOH 144 1.485 -8.766 -4.824 379.24 H ATOM 438 3HW HOH 144 3.078 -8.432 -4.952 66.40 H ATOM 439 OW HOH 145 2.404 -9.159 13.728 62.27 O ATOM 440 2HW HOH 145 1.485 -8.766 13.728 379.24 H ATOM 441 3HW HOH 145 3.078 -8.432 13.599 66.40 H ATOM 442 OW HOH 146 2.404 9.392 -4.824 62.27 O ATOM 443 2HW HOH 146 1.485 9.785 -4.824 379.24 H ATOM 444 3HW HOH 146 3.078 10.120 -4.952 66.40 H ATOM 445 OW HOH 147 2.404 9.392 13.728 62.27 O ATOM 446 2HW HOH 147 1.485 9.785 13.728 379.24 H ATOM 447 3HW HOH 147 3.078 10.120 13.599 66.40 H ATOM 448 OW HOH 148 3.893 -4.714 3.256 145.88 O ATOM 449 2HW HOH 148 4.464 -4.712 2.435 158.28 H ATOM 450 3HW HOH 148 4.082 -5.537 3.792 170.42 H ATOM 451 OW HOH 149 3.906 5.129 2.507 571.76 O ATOM 452 2HW HOH 149 4.733 4.979 1.965 244.96 H ATOM 453 3HW HOH 149 3.102 5.054 1.918 200.65 H ATOM 454 OW HOH 150 3.779 3.108 -11.593 337.35 O ATOM 455 2HW HOH 150 3.395 2.277 -11.193 171.86 H ATOM 456 3HW HOH 150 4.649 3.322 -11.149 239.25 H ATOM 457 OW HOH 151 3.779 3.108 6.958 337.35 O ATOM 458 2HW HOH 151 3.395 2.277 7.359 171.86 H ATOM 459 3HW HOH 151 4.649 3.322 7.402 239.25 H ATOM 460 OW HOH 152 -5.252 -0.002 -13.102 330.66 O ATOM 461 2HW HOH 152 -4.884 0.215 -12.198 91.14 H ATOM 462 3HW HOH 152 -4.551 -0.466 -13.644 46.71 H ATOM 463 OW HOH 153 -5.252 -0.002 5.449 330.66 O ATOM 464 2HW HOH 153 -4.884 0.215 6.354 91.14 H ATOM 465 3HW HOH 153 -4.551 -0.466 4.907 46.71 H ATOM 466 OW HOH 154 -3.842 -3.528 -0.581 368.15 O ATOM 467 2HW HOH 154 -3.205 -2.862 -0.194 483.63 H ATOM 468 3HW HOH 154 -4.372 -3.097 -1.312 369.67 H ATOM 469 OW HOH 155 -1.435 -9.706 -1.666 466.15 O ATOM 470 2HW HOH 155 -0.737 -9.645 -0.952 72.29 H ATOM 471 3HW HOH 155 -1.501 -8.829 -2.143 175.05 H ATOM 472 OW HOH 156 -1.435 8.846 -1.666 466.15 O ATOM 473 2HW HOH 156 -0.737 8.906 -0.952 72.29 H ATOM 474 3HW HOH 156 -1.501 9.722 -2.143 175.05 H ATOM 475 OW HOH 157 -0.261 -4.040 3.850 47.89 O ATOM 476 2HW HOH 157 0.396 -4.570 3.313 6.17 H ATOM 477 3HW HOH 157 -0.543 -3.233 3.332 4.84 H ATOM 478 OW HOH 158 1.953 2.321 2.650 50.32 O ATOM 479 2HW HOH 158 2.079 3.312 2.600 131.03 H ATOM 480 3HW HOH 158 2.739 1.907 3.107 126.32 H ATOM 481 OW HOH 159 -4.462 -3.416 2.745 173.42 O ATOM 482 2HW HOH 159 -4.312 -3.184 1.784 212.01 H ATOM 483 3HW HOH 159 -5.340 -3.042 3.046 13.78 H ATOM 484 OW HOH 160 0.481 7.938 -8.885 229.04 O ATOM 485 2HW HOH 160 0.356 6.949 -8.809 151.72 H ATOM 486 3HW HOH 160 1.292 8.213 -8.368 30.13 H ATOM 487 OW HOH 161 0.481 7.938 9.667 229.04 O ATOM 488 2HW HOH 161 0.356 6.949 9.743 151.72 H ATOM 489 3HW HOH 161 1.292 8.213 10.184 30.13 H ATOM 490 OW HOH 162 -0.526 5.247 -13.964 255.83 O ATOM 491 2HW HOH 162 -0.025 4.383 -14.013 250.17 H ATOM 492 3HW HOH 162 -0.445 5.628 -13.043 30.18 H ATOM 493 OW HOH 163 -0.526 5.247 4.587 255.83 O ATOM 494 2HW HOH 163 -0.025 4.383 4.538 250.17 H ATOM 495 3HW HOH 163 -0.445 5.628 5.509 30.18 H ATOM 496 OW HOH 164 -3.279 -6.958 -5.155 287.34 O ATOM 497 2HW HOH 164 -2.365 -6.952 -5.560 375.45 H ATOM 498 3HW HOH 164 -3.943 -7.274 -5.832 61.28 H ATOM 499 OW HOH 165 -3.279 -6.958 13.397 287.34 O ATOM 500 2HW HOH 165 -2.365 -6.952 12.991 375.45 H ATOM 501 3HW HOH 165 -3.943 -7.274 12.719 61.28 H ATOM 502 OW HOH 166 3.153 -8.199 -9.614 232.98 O ATOM 503 2HW HOH 166 2.555 -7.481 -9.258 165.28 H ATOM 504 3HW HOH 166 3.122 -8.991 -9.004 21.15 H ATOM 505 OW HOH 167 3.153 -8.199 8.938 232.98 O ATOM 506 2HW HOH 167 2.555 -7.481 9.293 165.28 H ATOM 507 3HW HOH 167 3.122 -8.991 9.547 21.15 H ATOM 508 OW HOH 168 -3.245 -7.099 -12.587 123.22 O ATOM 509 2HW HOH 168 -3.656 -6.731 -13.421 15.52 H ATOM 510 3HW HOH 168 -3.967 -7.357 -11.945 72.79 H ATOM 511 OW HOH 169 -3.245 -7.099 5.964 123.22 O ATOM 512 2HW HOH 169 -3.656 -6.731 5.130 15.52 H ATOM 513 3HW HOH 169 -3.967 -7.357 6.606 72.79 H ATOM 514 OW HOH 170 2.321 4.588 -1.652 51.16 O ATOM 515 2HW HOH 170 2.014 4.679 -2.600 126.18 H ATOM 516 3HW HOH 170 3.265 4.258 -1.638 314.50 H ATOM 517 OW HOH 171 3.976 2.441 -7.878 382.98 O ATOM 518 2HW HOH 171 4.668 1.792 -8.194 28.26 H ATOM 519 3HW HOH 171 3.065 2.080 -8.078 174.59 H ATOM 520 OW HOH 172 3.976 2.441 10.673 382.98 O ATOM 521 2HW HOH 172 4.668 1.792 10.358 28.26 H ATOM 522 3HW HOH 172 3.065 2.080 10.473 174.59 H ATOM 523 OW HOH 173 0.689 3.229 -10.969 183.28 O ATOM 524 2HW HOH 173 0.631 3.518 -11.925 171.99 H ATOM 525 3HW HOH 173 1.576 2.797 -10.805 183.53 H ATOM 526 OW HOH 174 0.689 3.229 7.582 183.28 O ATOM 527 2HW HOH 174 0.631 3.518 6.627 171.99 H ATOM 528 3HW HOH 174 1.576 2.797 7.747 183.53 H ATOM 529 OW HOH 175 -4.418 1.267 -10.931 32.01 O ATOM 530 2HW HOH 175 -3.681 1.933 -10.820 129.70 H ATOM 531 3HW HOH 175 -4.775 1.011 -10.032 121.03 H ATOM 532 OW HOH 176 -4.418 1.267 7.620 32.01 O ATOM 533 2HW HOH 176 -3.681 1.933 7.731 129.70 H ATOM 534 3HW HOH 176 -4.775 1.011 8.519 121.03 H ATOM 535 OW HOH 177 -0.415 -2.090 -7.217 220.88 O ATOM 536 2HW HOH 177 0.128 -1.843 -6.415 44.16 H ATOM 537 3HW HOH 177 -0.947 -1.298 -7.517 23.11 H ATOM 538 OW HOH 178 -0.415 -2.090 11.334 220.88 O ATOM 539 2HW HOH 178 0.128 -1.843 12.136 44.16 H ATOM 540 3HW HOH 178 -0.947 -1.298 11.035 23.11 H ATOM 541 OW HOH 179 2.420 6.679 -4.225 217.02 O ATOM 542 2HW HOH 179 2.435 7.571 -4.678 18.15 H ATOM 543 3HW HOH 179 1.500 6.292 -4.282 46.55 H ATOM 544 OW HOH 180 2.420 6.679 14.326 217.02 O ATOM 545 2HW HOH 180 2.435 7.571 13.873 18.15 H ATOM 546 3HW HOH 180 1.500 6.292 14.270 46.55 H ATOM 547 OW HOH 181 -3.164 -1.401 -14.055 89.66 O ATOM 548 2HW HOH 181 -2.983 -1.656 -13.105 330.83 H ATOM 549 3HW HOH 181 -3.411 -2.217 -14.578 126.59 H ATOM 550 OW HOH 182 -3.164 -1.401 4.496 89.66 O ATOM 551 2HW HOH 182 -2.983 -1.656 5.446 330.83 H ATOM 552 3HW HOH 182 -3.411 -2.217 3.973 126.59 H ATOM 553 OW HOH 183 -4.368 7.117 -10.194 297.64 O ATOM 554 2HW HOH 183 -5.195 7.675 -10.123 140.21 H ATOM 555 3HW HOH 183 -3.623 7.671 -10.566 50.50 H ATOM 556 OW HOH 184 -4.368 7.117 8.357 297.64 O ATOM 557 2HW HOH 184 -5.195 7.675 8.429 140.21 H ATOM 558 3HW HOH 184 -3.623 7.671 7.986 50.50 H ATOM 559 OW HOH 185 3.300 4.200 -6.058 229.53 O ATOM 560 2HW HOH 185 2.327 4.184 -6.290 103.33 H ATOM 561 3HW HOH 185 3.797 3.574 -6.660 131.16 H ATOM 562 OW HOH 186 3.300 4.200 12.493 229.53 O ATOM 563 2HW HOH 186 2.327 4.184 12.262 103.33 H ATOM 564 3HW HOH 186 3.797 3.574 11.891 131.16 H ATOM 565 OW HOH 187 3.272 -4.348 -9.009 139.68 O ATOM 566 2HW HOH 187 3.162 -4.544 -9.984 95.29 H ATOM 567 3HW HOH 187 3.768 -5.099 -8.572 58.29 H ATOM 568 OW HOH 188 3.272 -4.348 9.542 139.68 O ATOM 569 2HW HOH 188 3.162 -4.544 8.568 95.29 H ATOM 570 3HW HOH 188 3.768 -5.099 9.979 58.29 H ATOM 571 OW HOH 189 -0.390 -4.522 -10.037 971.14 O ATOM 572 2HW HOH 189 -0.632 -4.736 -10.983 48.66 H ATOM 573 3HW HOH 189 -0.111 -3.564 -9.972 173.63 H ATOM 574 OW HOH 190 -0.390 -4.522 8.514 971.14 O ATOM 575 2HW HOH 190 -0.632 -4.736 7.568 48.66 H ATOM 576 3HW HOH 190 -0.111 -3.564 8.580 173.63 H ATOM 577 OW HOH 191 -1.859 6.293 -0.341 224.73 O ATOM 578 2HW HOH 191 -1.854 6.232 0.657 46.34 H ATOM 579 3HW HOH 191 -1.736 7.246 -0.617 17.35 H ATOM 580 OW HOH 192 4.097 -1.943 -0.728 111.40 O ATOM 581 2HW HOH 192 3.965 -2.920 -0.566 123.68 H ATOM 582 3HW HOH 192 4.977 -1.657 -0.348 192.52 H ATOM 583 OW HOH 193 -2.453 -7.654 1.527 174.82 O ATOM 584 2HW HOH 193 -2.427 -7.189 0.641 188.54 H ATOM 585 3HW HOH 193 -3.110 -8.407 1.489 275.86 H ATOM 586 OW HOH 194 2.811 -4.588 -4.138 401.33 O ATOM 587 2HW HOH 194 3.082 -4.142 -4.990 195.88 H ATOM 588 3HW HOH 194 1.820 -4.721 -4.131 368.53 H ATOM 589 OW HOH 195 2.811 -4.588 14.413 401.33 O ATOM 590 2HW HOH 195 3.082 -4.142 13.561 195.88 H ATOM 591 3HW HOH 195 1.820 -4.721 14.420 368.53 H ATOM 592 OW HOH 196 3.400 -1.717 -9.961 519.49 O ATOM 593 2HW HOH 196 4.397 -1.704 -10.035 176.93 H ATOM 594 3HW HOH 196 3.105 -2.591 -9.576 137.66 H ATOM 595 OW HOH 197 3.400 -1.717 8.590 519.49 O ATOM 596 2HW HOH 197 4.397 -1.704 8.517 176.93 H ATOM 597 3HW HOH 197 3.105 -2.591 8.976 137.66 H ATOM 598 OW HOH 198 3.118 8.550 -7.305 335.72 O ATOM 599 2HW HOH 198 3.951 8.004 -7.211 107.43 H ATOM 600 3HW HOH 198 2.901 8.981 -6.429 144.34 H ATOM 601 OW HOH 199 3.118 8.550 11.246 335.72 O ATOM 602 2HW HOH 199 3.951 8.004 11.340 107.43 H ATOM 603 3HW HOH 199 2.901 8.981 12.122 144.34 H ATOM 604 OW HOH 200 -4.807 -2.414 -8.350 49.92 O ATOM 605 2HW HOH 200 -5.529 -3.066 -8.584 210.86 H ATOM 606 3HW HOH 200 -4.064 -2.893 -7.883 208.17 H ATOM 607 OW HOH 201 -4.807 -2.414 10.202 49.92 O ATOM 608 2HW HOH 201 -5.529 -3.066 9.968 210.86 H ATOM 609 3HW HOH 201 -4.064 -2.893 10.669 208.17 H ATOM 610 OW HOH 202 -4.754 5.996 -1.760 204.31 O ATOM 611 2HW HOH 202 -5.226 5.901 -2.636 53.91 H ATOM 612 3HW HOH 202 -3.815 5.664 -1.848 91.03 H END