CRYST1 28.000 28.000 28.000 90.00 90.00 90.00 P 1 1 ATOM 1 C1 18C61 1 -3.654 -1.610 0.193 1.00 0.00 18C6 C ATOM 2 H11 18C61 1 -4.325 -1.875 0.885 1.00 0.00 18C6 H ATOM 3 H12 18C61 1 -4.090 -1.560 -0.706 1.00 0.00 18C6 H ATOM 4 O2 18C61 1 -2.957 -0.330 0.548 1.00 0.00 18C6 O ATOM 5 C3 18C61 1 -3.897 0.837 0.518 1.00 0.00 18C6 C ATOM 6 H31 18C61 1 -4.656 0.725 1.323 1.00 0.00 18C6 H ATOM 7 H32 18C61 1 -4.433 0.907 -0.452 1.00 0.00 18C6 H ATOM 8 C4 18C61 1 -3.164 2.125 0.753 1.00 0.00 18C6 C ATOM 9 H41 18C61 1 -3.191 2.378 1.834 1.00 0.00 18C6 H ATOM 10 H42 18C61 1 -3.627 2.967 0.192 1.00 0.00 18C6 H ATOM 11 O5 18C61 1 -1.726 2.010 0.338 1.00 0.00 18C6 O ATOM 12 C6 18C61 1 -1.210 3.606 0.098 1.00 0.00 18C6 C ATOM 13 H61 18C61 1 -1.931 4.039 -0.627 1.00 0.00 18C6 H ATOM 14 H62 18C61 1 -1.390 4.080 1.087 1.00 0.00 18C6 H ATOM 15 C7 18C61 1 0.541 3.889 -0.088 1.00 0.00 18C6 C ATOM 16 H71 18C61 1 0.953 4.795 0.015 1.00 0.00 18C6 H ATOM 17 H72 18C61 1 0.804 3.836 -1.167 1.00 0.00 18C6 H ATOM 18 O8 18C61 1 1.151 2.504 0.012 1.00 0.00 18C6 O ATOM 19 C9 18C61 1 2.604 2.884 -0.039 1.00 0.00 18C6 C ATOM 20 H91 18C61 1 2.779 3.436 -0.989 1.00 0.00 18C6 H ATOM 21 H92 18C61 1 2.908 3.641 0.538 1.00 0.00 18C6 H ATOM 22 C10 18C61 1 3.449 1.648 0.047 1.00 0.00 18C6 C ATOM 23 H101 18C61 1 3.900 1.614 1.062 1.00 0.00 18C6 H ATOM 24 H102 18C61 1 4.274 1.734 -0.691 1.00 0.00 18C6 H ATOM 25 O11 18C61 1 2.646 0.402 -0.187 1.00 0.00 18C6 O ATOM 26 C12 18C61 1 3.662 -0.687 -0.352 1.00 0.00 18C6 C ATOM 27 H121 18C61 1 4.352 -0.601 0.513 1.00 0.00 18C6 H ATOM 28 H122 18C61 1 4.237 -0.447 -1.273 1.00 0.00 18C6 H ATOM 29 C13 18C61 1 3.196 -2.112 -0.424 1.00 0.00 18C6 C ATOM 30 H131 18C61 1 3.576 -2.644 0.474 1.00 0.00 18C6 H ATOM 31 H132 18C61 1 3.647 -2.588 -1.322 1.00 0.00 18C6 H ATOM 32 O14 18C61 1 1.699 -2.198 -0.463 1.00 0.00 18C6 O ATOM 33 C15 18C61 1 1.243 -3.628 -0.524 1.00 0.00 18C6 C ATOM 34 H151 18C61 1 1.473 -4.264 -1.261 1.00 0.00 18C6 H ATOM 35 H152 18C61 1 1.658 -4.142 0.371 1.00 0.00 18C6 H ATOM 36 C16 18C61 1 -0.246 -3.798 -0.462 1.00 0.00 18C6 C ATOM 37 H161 18C61 1 -0.588 -4.238 -1.424 1.00 0.00 18C6 H ATOM 38 H162 18C61 1 -0.448 -4.534 0.345 1.00 0.00 18C6 H ATOM 39 O17 18C61 1 -1.186 -2.661 -0.191 1.00 0.00 18C6 O ATOM 40 C18 18C61 1 -2.933 -2.917 0.042 1.00 0.00 18C6 C ATOM 41 H181 18C61 1 -3.680 -3.716 -0.162 1.00 0.00 18C6 H ATOM 42 H182 18C61 1 -2.408 -3.175 0.986 1.00 0.00 18C6 H ATOM 43 POT POT P 1 -0.042 -0.004 -0.009 1.00 -1.00 POT K ATOM 44 OH2 TIP3W 5 -10.332 -3.918 1.904 1.00 0.00 WT1 O ATOM 45 H1 TIP3W 5 -10.776 -3.549 1.101 1.00 0.00 WT1 H ATOM 46 H2 TIP3W 5 -10.908 -3.621 2.627 1.00 0.00 WT1 H ATOM 47 OH2 TIP3W 7 -7.967 -9.124 6.891 1.00 0.00 WT1 O ATOM 48 H1 TIP3W 7 -7.922 -8.776 7.798 1.00 0.00 WT1 H ATOM 49 H2 TIP3W 7 -7.408 -9.912 6.961 1.00 0.00 WT1 H ATOM 50 OH2 TIP3W 21 -8.814 2.696 -1.928 1.00 0.00 WT1 O ATOM 51 H1 TIP3W 21 -7.917 2.979 -2.184 1.00 0.00 WT1 H ATOM 52 H2 TIP3W 21 -8.663 1.832 -1.510 1.00 0.00 WT1 H ATOM 53 OH2 TIP3W 29 -5.676 -0.189 7.332 1.00 0.00 WT1 O ATOM 54 H1 TIP3W 29 -5.367 -0.652 8.112 1.00 0.00 WT1 H ATOM 55 H2 TIP3W 29 -5.494 -0.884 6.645 1.00 0.00 WT1 H ATOM 56 OH2 TIP3W 44 -10.214 2.318 -12.690 1.00 0.00 WT1 O ATOM 57 H1 TIP3W 44 -10.219 1.388 -12.804 1.00 0.00 WT1 H ATOM 58 H2 TIP3W 44 -9.472 2.580 -13.219 1.00 0.00 WT1 H ATOM 59 OH2 TIP3W 46 -7.795 -7.009 4.442 1.00 0.00 WT1 O ATOM 60 H1 TIP3W 46 -7.218 -6.653 5.152 1.00 0.00 WT1 H ATOM 61 H2 TIP3W 46 -8.691 -6.938 4.800 1.00 0.00 WT1 H ATOM 62 OH2 TIP3W 47 2.126 0.701 -9.423 1.00 0.00 WT1 O ATOM 63 H1 TIP3W 47 2.070 0.272 -10.274 1.00 0.00 WT1 H ATOM 64 H2 TIP3W 47 2.805 1.454 -9.555 1.00 0.00 WT1 H ATOM 65 OH2 TIP3W 48 -11.250 -5.156 -4.371 1.00 0.00 WT1 O ATOM 66 H1 TIP3W 48 -11.890 -5.710 -4.002 1.00 0.00 WT1 H ATOM 67 H2 TIP3W 48 -11.836 -4.755 -5.038 1.00 0.00 WT1 H ATOM 68 OH2 TIP3W 52 -10.065 2.195 8.109 1.00 0.00 WT1 O ATOM 69 H1 TIP3W 52 -9.130 2.034 7.985 1.00 0.00 WT1 H ATOM 70 H2 TIP3W 52 -10.345 1.367 8.581 1.00 0.00 WT1 H ATOM 71 OH2 TIP3W 53 -11.009 -2.838 13.860 1.00 0.00 WT1 O ATOM 72 H1 TIP3W 53 -10.406 -3.032 13.129 1.00 0.00 WT1 H ATOM 73 H2 TIP3W 53 -11.586 -2.225 13.430 1.00 0.00 WT1 H ATOM 74 OH2 TIP3W 55 -9.760 -6.963 13.081 1.00 0.00 WT1 O ATOM 75 H1 TIP3W 55 -9.344 -6.169 12.658 1.00 0.00 WT1 H ATOM 76 H2 TIP3W 55 -10.214 -6.572 13.812 1.00 0.00 WT1 H ATOM 77 OH2 TIP3W 64 -3.326 -5.091 -9.014 1.00 0.00 WT1 O ATOM 78 H1 TIP3W 64 -3.002 -5.129 -8.068 1.00 0.00 WT1 H ATOM 79 H2 TIP3W 64 -4.252 -4.730 -8.925 1.00 0.00 WT1 H ATOM 80 OH2 TIP3W 67 -13.998 -8.333 0.591 1.00 0.00 WT1 O ATOM 81 H1 TIP3W 67 -13.517 -8.010 -0.170 1.00 0.00 WT1 H ATOM 82 H2 TIP3W 67 -13.392 -8.219 1.347 1.00 0.00 WT1 H ATOM 83 OH2 TIP3W 87 -12.339 -7.319 -12.057 1.00 0.00 WT1 O ATOM 84 H1 TIP3W 87 -12.057 -8.261 -12.019 1.00 0.00 WT1 H ATOM 85 H2 TIP3W 87 -13.222 -7.401 -12.517 1.00 0.00 WT1 H ATOM 86 OH2 TIP3W 88 -9.179 6.603 -2.761 1.00 0.00 WT1 O ATOM 87 H1 TIP3W 88 -8.534 6.782 -2.037 1.00 0.00 WT1 H ATOM 88 H2 TIP3W 88 -8.616 6.914 -3.544 1.00 0.00 WT1 H ATOM 89 OH2 TIP3W 94 -12.661 -10.218 8.814 1.00 0.00 WT1 O ATOM 90 H1 TIP3W 94 -13.161 -10.575 8.087 1.00 0.00 WT1 H ATOM 91 H2 TIP3W 94 -12.225 -10.923 9.138 1.00 0.00 WT1 H ATOM 92 OH2 TIP3W 95 -13.515 1.137 8.476 1.00 0.00 WT1 O ATOM 93 H1 TIP3W 95 -13.356 1.425 9.349 1.00 0.00 WT1 H ATOM 94 H2 TIP3W 95 -13.688 1.961 7.975 1.00 0.00 WT1 H ATOM 95 OH2 TIP3W 108 -8.392 9.918 -1.041 1.00 0.00 WT1 O ATOM 96 H1 TIP3W 108 -9.160 9.622 -1.455 1.00 0.00 WT1 H ATOM 97 H2 TIP3W 108 -7.963 10.336 -1.792 1.00 0.00 WT1 H ATOM 98 OH2 TIP3W 111 -3.574 -6.396 -11.596 1.00 0.00 WT1 O ATOM 99 H1 TIP3W 111 -3.239 -5.599 -12.006 1.00 0.00 WT1 H ATOM 100 H2 TIP3W 111 -3.752 -6.111 -10.692 1.00 0.00 WT1 H ATOM 101 OH2 TIP3W 112 -5.431 11.684 -1.789 1.00 0.00 WT1 O ATOM 102 H1 TIP3W 112 -4.877 11.542 -0.985 1.00 0.00 WT1 H ATOM 103 H2 TIP3W 112 -5.195 12.595 -2.073 1.00 0.00 WT1 H ATOM 104 OH2 TIP3W 113 -9.731 8.752 2.265 1.00 0.00 WT1 O ATOM 105 H1 TIP3W 113 -9.851 9.680 1.888 1.00 0.00 WT1 H ATOM 106 H2 TIP3W 113 -8.939 8.796 2.776 1.00 0.00 WT1 H ATOM 107 OH2 TIP3W 115 -10.401 -0.311 9.583 1.00 0.00 WT1 O ATOM 108 H1 TIP3W 115 -10.570 -1.124 10.062 1.00 0.00 WT1 H ATOM 109 H2 TIP3W 115 -9.439 -0.231 9.661 1.00 0.00 WT1 H ATOM 110 OH2 TIP3W 116 5.952 -12.039 12.164 1.00 0.00 WT1 O ATOM 111 H1 TIP3W 116 6.414 -12.921 12.079 1.00 0.00 WT1 H ATOM 112 H2 TIP3W 116 6.667 -11.347 12.013 1.00 0.00 WT1 H ATOM 113 OH2 TIP3W 125 8.572 -7.758 -10.522 1.00 0.00 WT1 O ATOM 114 H1 TIP3W 125 7.705 -8.155 -10.170 1.00 0.00 WT1 H ATOM 115 H2 TIP3W 125 8.951 -8.341 -11.142 1.00 0.00 WT1 H ATOM 116 OH2 TIP3W 130 -3.074 -8.635 -12.982 1.00 0.00 WT1 O ATOM 117 H1 TIP3W 130 -2.862 -9.231 -12.246 1.00 0.00 WT1 H ATOM 118 H2 TIP3W 130 -3.343 -7.788 -12.507 1.00 0.00 WT1 H ATOM 119 OH2 TIP3W 133 -5.353 -9.686 5.278 1.00 0.00 WT1 O ATOM 120 H1 TIP3W 133 -6.036 -10.389 5.326 1.00 0.00 WT1 H ATOM 121 H2 TIP3W 133 -5.957 -8.936 5.153 1.00 0.00 WT1 H ATOM 122 OH2 TIP3W 134 -5.619 3.319 9.275 1.00 0.00 WT1 O ATOM 123 H1 TIP3W 134 -6.484 3.340 9.695 1.00 0.00 WT1 H ATOM 124 H2 TIP3W 134 -5.569 4.263 9.009 1.00 0.00 WT1 H ATOM 125 OH2 TIP3W 135 -9.658 -2.612 11.271 1.00 0.00 WT1 O ATOM 126 H1 TIP3W 135 -9.158 -3.303 11.678 1.00 0.00 WT1 H ATOM 127 H2 TIP3W 135 -9.097 -1.852 11.578 1.00 0.00 WT1 H ATOM 128 OH2 TIP3W 149 -13.198 11.084 -8.477 1.00 0.00 WT1 O ATOM 129 H1 TIP3W 149 -13.421 12.065 -8.495 1.00 0.00 WT1 H ATOM 130 H2 TIP3W 149 -12.205 11.163 -8.555 1.00 0.00 WT1 H ATOM 131 OH2 TIP3W 150 -9.701 3.774 -6.831 1.00 0.00 WT1 O ATOM 132 H1 TIP3W 150 -10.697 3.803 -6.678 1.00 0.00 WT1 H ATOM 133 H2 TIP3W 150 -9.467 4.755 -7.076 1.00 0.00 WT1 H ATOM 134 OH2 TIP3W 152 -5.108 -1.023 -8.679 1.00 0.00 WT1 O ATOM 135 H1 TIP3W 152 -5.881 -1.522 -8.557 1.00 0.00 WT1 H ATOM 136 H2 TIP3W 152 -4.658 -1.443 -9.464 1.00 0.00 WT1 H ATOM 137 OH2 TIP3W 153 -11.292 6.969 10.504 1.00 0.00 WT1 O ATOM 138 H1 TIP3W 153 -11.411 6.945 9.556 1.00 0.00 WT1 H ATOM 139 H2 TIP3W 153 -10.877 7.835 10.549 1.00 0.00 WT1 H ATOM 140 OH2 TIP3W 167 -11.826 4.468 -11.788 1.00 0.00 WT1 O ATOM 141 H1 TIP3W 167 -11.368 3.628 -11.797 1.00 0.00 WT1 H ATOM 142 H2 TIP3W 167 -11.069 5.120 -11.719 1.00 0.00 WT1 H ATOM 143 OH2 TIP3W 239 -0.388 3.680 4.622 1.00 0.00 WT1 O ATOM 144 H1 TIP3W 239 -0.256 3.414 5.508 1.00 0.00 WT1 H ATOM 145 H2 TIP3W 239 0.526 3.831 4.347 1.00 0.00 WT1 H ATOM 146 OH2 TIP3W 261 -12.713 10.132 9.737 1.00 0.00 WT1 O ATOM 147 H1 TIP3W 261 -12.765 9.924 10.731 1.00 0.00 WT1 H ATOM 148 H2 TIP3W 261 -11.912 10.709 9.639 1.00 0.00 WT1 H ATOM 149 OH2 TIP3W 424 1.414 -7.431 -11.499 1.00 0.00 WT1 O ATOM 150 H1 TIP3W 424 2.224 -7.142 -11.872 1.00 0.00 WT1 H ATOM 151 H2 TIP3W 424 0.808 -7.300 -12.329 1.00 0.00 WT1 H ATOM 152 OH2 TIP3W 450 -6.940 -11.926 5.830 1.00 0.00 WT1 O ATOM 153 H1 TIP3W 450 -6.350 -12.381 6.528 1.00 0.00 WT1 H ATOM 154 H2 TIP3W 450 -7.852 -12.204 6.035 1.00 0.00 WT1 H ATOM 155 OH2 TIP3W 465 -0.109 -12.081 -11.008 1.00 0.00 WT1 O ATOM 156 H1 TIP3W 465 0.198 -11.319 -10.578 1.00 0.00 WT1 H ATOM 157 H2 TIP3W 465 -0.788 -12.423 -10.422 1.00 0.00 WT1 H ATOM 158 OH2 TIP3W 466 -5.177 -3.419 -5.173 1.00 0.00 WT1 O ATOM 159 H1 TIP3W 466 -5.817 -3.247 -5.852 1.00 0.00 WT1 H ATOM 160 H2 TIP3W 466 -5.611 -3.939 -4.466 1.00 0.00 WT1 H ATOM 161 OH2 TIP3W 484 -3.718 -13.360 -11.947 1.00 0.00 WT1 O ATOM 162 H1 TIP3W 484 -3.633 -13.041 -10.984 1.00 0.00 WT1 H ATOM 163 H2 TIP3W 484 -4.257 -12.677 -12.333 1.00 0.00 WT1 H ATOM 164 OH2 TIP3W 485 -9.382 -5.875 -6.223 1.00 0.00 WT1 O ATOM 165 H1 TIP3W 485 -8.595 -6.081 -5.686 1.00 0.00 WT1 H ATOM 166 H2 TIP3W 485 -9.998 -5.542 -5.578 1.00 0.00 WT1 H ATOM 167 OH2 TIP3W 486 -10.597 -9.313 -4.185 1.00 0.00 WT1 O ATOM 168 H1 TIP3W 486 -10.891 -8.728 -4.903 1.00 0.00 WT1 H ATOM 169 H2 TIP3W 486 -10.183 -10.027 -4.673 1.00 0.00 WT1 H ATOM 170 OH2 TIP3W 489 -10.724 -6.535 5.325 1.00 0.00 WT1 O ATOM 171 H1 TIP3W 489 -11.228 -7.009 5.964 1.00 0.00 WT1 H ATOM 172 H2 TIP3W 489 -10.396 -5.712 5.753 1.00 0.00 WT1 H ATOM 173 OH2 TIP3W 495 -4.022 -6.125 10.948 1.00 0.00 WT1 O ATOM 174 H1 TIP3W 495 -4.411 -6.374 11.845 1.00 0.00 WT1 H ATOM 175 H2 TIP3W 495 -3.564 -5.344 11.187 1.00 0.00 WT1 H ATOM 176 OH2 TIP3W 503 -10.881 -3.675 -0.842 1.00 0.00 WT1 O ATOM 177 H1 TIP3W 503 -10.402 -3.100 -1.488 1.00 0.00 WT1 H ATOM 178 H2 TIP3W 503 -10.560 -4.570 -1.038 1.00 0.00 WT1 H ATOM 179 OH2 TIP3W 506 -11.622 -8.194 2.253 1.00 0.00 WT1 O ATOM 180 H1 TIP3W 506 -11.843 -7.839 3.099 1.00 0.00 WT1 H ATOM 181 H2 TIP3W 506 -10.699 -7.968 2.126 1.00 0.00 WT1 H ATOM 182 OH2 TIP3W 507 -7.618 8.271 -11.681 1.00 0.00 WT1 O ATOM 183 H1 TIP3W 507 -8.450 8.035 -12.153 1.00 0.00 WT1 H ATOM 184 H2 TIP3W 507 -7.141 7.472 -11.808 1.00 0.00 WT1 H ATOM 185 OH2 TIP3W 509 -9.983 -10.095 5.418 1.00 0.00 WT1 O ATOM 186 H1 TIP3W 509 -10.858 -9.958 5.132 1.00 0.00 WT1 H ATOM 187 H2 TIP3W 509 -9.418 -9.273 5.295 1.00 0.00 WT1 H ATOM 188 OH2 TIP3W 511 -11.656 6.472 7.631 1.00 0.00 WT1 O ATOM 189 H1 TIP3W 511 -11.068 6.821 6.945 1.00 0.00 WT1 H ATOM 190 H2 TIP3W 511 -12.533 6.548 7.138 1.00 0.00 WT1 H ATOM 191 OH2 TIP3W 515 -12.213 -4.482 10.515 1.00 0.00 WT1 O ATOM 192 H1 TIP3W 515 -11.868 -4.425 9.646 1.00 0.00 WT1 H ATOM 193 H2 TIP3W 515 -12.140 -3.594 10.787 1.00 0.00 WT1 H ATOM 194 OH2 TIP3W 517 0.526 -3.468 6.137 1.00 0.00 WT1 O ATOM 195 H1 TIP3W 517 0.162 -4.267 6.503 1.00 0.00 WT1 H ATOM 196 H2 TIP3W 517 0.466 -3.580 5.194 1.00 0.00 WT1 H ATOM 197 OH2 TIP3W 528 12.124 2.594 2.807 1.00 0.00 WT1 O ATOM 198 H1 TIP3W 528 12.948 2.864 3.244 1.00 0.00 WT1 H ATOM 199 H2 TIP3W 528 12.137 3.048 1.900 1.00 0.00 WT1 H ATOM 200 OH2 TIP3W 533 -8.427 0.804 5.090 1.00 0.00 WT1 O ATOM 201 H1 TIP3W 533 -8.041 1.339 5.808 1.00 0.00 WT1 H ATOM 202 H2 TIP3W 533 -8.131 1.413 4.331 1.00 0.00 WT1 H ATOM 203 OH2 TIP3W 534 2.283 -6.646 8.781 1.00 0.00 WT1 O ATOM 204 H1 TIP3W 534 1.640 -5.942 8.449 1.00 0.00 WT1 H ATOM 205 H2 TIP3W 534 1.973 -7.440 8.379 1.00 0.00 WT1 H ATOM 206 OH2 TIP3W 535 8.872 4.441 2.788 1.00 0.00 WT1 O ATOM 207 H1 TIP3W 535 8.201 3.864 2.379 1.00 0.00 WT1 H ATOM 208 H2 TIP3W 535 8.335 4.981 3.425 1.00 0.00 WT1 H ATOM 209 OH2 TIP3W 543 -8.542 -0.903 -9.411 1.00 0.00 WT1 O ATOM 210 H1 TIP3W 543 -8.327 -0.981 -10.388 1.00 0.00 WT1 H ATOM 211 H2 TIP3W 543 -9.101 -0.106 -9.343 1.00 0.00 WT1 H ATOM 212 OH2 TIP3W 549 13.849 -4.132 5.173 1.00 0.00 WT1 O ATOM 213 H1 TIP3W 549 13.170 -4.280 5.863 1.00 0.00 WT1 H ATOM 214 H2 TIP3W 549 13.403 -3.581 4.489 1.00 0.00 WT1 H ATOM 215 OH2 TIP3W 550 -9.448 -12.630 6.330 1.00 0.00 WT1 O ATOM 216 H1 TIP3W 550 -9.726 -11.806 5.953 1.00 0.00 WT1 H ATOM 217 H2 TIP3W 550 -9.765 -13.199 5.571 1.00 0.00 WT1 H ATOM 218 OH2 TIP3W 551 -9.406 11.266 1.200 1.00 0.00 WT1 O ATOM 219 H1 TIP3W 551 -10.362 11.500 1.196 1.00 0.00 WT1 H ATOM 220 H2 TIP3W 551 -9.242 10.897 0.312 1.00 0.00 WT1 H ATOM 221 OH2 TIP3W 552 -3.034 -13.513 13.664 1.00 0.00 WT1 O ATOM 222 H1 TIP3W 552 -3.165 -12.577 13.475 1.00 0.00 WT1 H ATOM 223 H2 TIP3W 552 -3.442 -13.908 12.883 1.00 0.00 WT1 H ATOM 224 OH2 TIP3W 554 -8.840 -0.256 -6.046 1.00 0.00 WT1 O ATOM 225 H1 TIP3W 554 -7.952 -0.578 -5.793 1.00 0.00 WT1 H ATOM 226 H2 TIP3W 554 -8.992 0.493 -5.472 1.00 0.00 WT1 H ATOM 227 OH2 TIP3W 558 -3.610 -7.614 4.828 1.00 0.00 WT1 O ATOM 228 H1 TIP3W 558 -3.312 -7.516 5.731 1.00 0.00 WT1 H ATOM 229 H2 TIP3W 558 -4.156 -8.411 4.921 1.00 0.00 WT1 H ATOM 230 OH2 TIP3W 562 -12.322 7.942 -12.965 1.00 0.00 WT1 O ATOM 231 H1 TIP3W 562 -12.728 7.280 -12.408 1.00 0.00 WT1 H ATOM 232 H2 TIP3W 562 -12.502 8.809 -12.507 1.00 0.00 WT1 H ATOM 233 OH2 TIP3W 568 -4.370 7.547 -11.000 1.00 0.00 WT1 O ATOM 234 H1 TIP3W 568 -4.399 8.471 -11.357 1.00 0.00 WT1 H ATOM 235 H2 TIP3W 568 -4.713 6.954 -11.688 1.00 0.00 WT1 H ATOM 236 OH2 TIP3W 575 -11.656 -3.429 -11.376 1.00 0.00 WT1 O ATOM 237 H1 TIP3W 575 -11.878 -3.247 -10.447 1.00 0.00 WT1 H ATOM 238 H2 TIP3W 575 -11.053 -4.209 -11.383 1.00 0.00 WT1 H ATOM 239 OH2 TIP3W 576 -11.418 13.635 8.063 1.00 0.00 WT1 O ATOM 240 H1 TIP3W 576 -12.174 13.334 8.610 1.00 0.00 WT1 H ATOM 241 H2 TIP3W 576 -11.859 13.873 7.227 1.00 0.00 WT1 H ATOM 242 OH2 TIP3W 584 -13.177 9.668 -11.112 1.00 0.00 WT1 O ATOM 243 H1 TIP3W 584 -12.364 9.316 -10.660 1.00 0.00 WT1 H ATOM 244 H2 TIP3W 584 -13.747 9.978 -10.360 1.00 0.00 WT1 H ATOM 245 OH2 TIP3W 592 -0.780 10.494 -0.908 1.00 0.00 WT1 O ATOM 246 H1 TIP3W 592 -1.109 11.383 -0.713 1.00 0.00 WT1 H ATOM 247 H2 TIP3W 592 -0.944 9.918 -0.147 1.00 0.00 WT1 H ATOM 248 OH2 TIP3W 594 -11.290 -7.815 -6.460 1.00 0.00 WT1 O ATOM 249 H1 TIP3W 594 -11.533 -7.764 -7.439 1.00 0.00 WT1 H ATOM 250 H2 TIP3W 594 -10.590 -7.145 -6.420 1.00 0.00 WT1 H ATOM 251 OH2 TIP3W 595 -7.089 5.458 3.335 1.00 0.00 WT1 O ATOM 252 H1 TIP3W 595 -6.483 6.118 2.957 1.00 0.00 WT1 H ATOM 253 H2 TIP3W 595 -7.685 5.136 2.588 1.00 0.00 WT1 H ATOM 254 OH2 TIP3W 612 2.192 8.403 -10.218 1.00 0.00 WT1 O ATOM 255 H1 TIP3W 612 2.363 8.881 -9.378 1.00 0.00 WT1 H ATOM 256 H2 TIP3W 612 2.427 9.065 -10.914 1.00 0.00 WT1 H ATOM 257 OH2 TIP3W 613 -0.460 8.220 -11.252 1.00 0.00 WT1 O ATOM 258 H1 TIP3W 613 -1.035 8.475 -10.538 1.00 0.00 WT1 H ATOM 259 H2 TIP3W 613 0.428 8.404 -10.926 1.00 0.00 WT1 H ATOM 260 OH2 TIP3W 632 -5.819 9.465 -6.363 1.00 0.00 WT1 O ATOM 261 H1 TIP3W 632 -4.993 9.937 -6.297 1.00 0.00 WT1 H ATOM 262 H2 TIP3W 632 -6.483 10.117 -6.688 1.00 0.00 WT1 H ATOM 263 OH2 TIP3W 634 -3.071 0.750 -8.282 1.00 0.00 WT1 O ATOM 264 H1 TIP3W 634 -3.950 0.541 -8.592 1.00 0.00 WT1 H ATOM 265 H2 TIP3W 634 -2.599 -0.121 -8.283 1.00 0.00 WT1 H ATOM 266 OH2 TIP3W 635 5.659 11.552 3.449 1.00 0.00 WT1 O ATOM 267 H1 TIP3W 635 6.182 12.346 3.499 1.00 0.00 WT1 H ATOM 268 H2 TIP3W 635 4.734 11.858 3.381 1.00 0.00 WT1 H ATOM 269 OH2 TIP3W 638 -11.914 11.452 4.194 1.00 0.00 WT1 O ATOM 270 H1 TIP3W 638 -11.826 11.923 3.394 1.00 0.00 WT1 H ATOM 271 H2 TIP3W 638 -12.728 11.869 4.604 1.00 0.00 WT1 H ATOM 272 OH2 TIP3W 639 -12.317 11.667 12.332 1.00 0.00 WT1 O ATOM 273 H1 TIP3W 639 -11.420 11.907 12.426 1.00 0.00 WT1 H ATOM 274 H2 TIP3W 639 -12.515 11.227 13.126 1.00 0.00 WT1 H ATOM 275 OH2 TIP3W 640 9.331 7.619 4.069 1.00 0.00 WT1 O ATOM 276 H1 TIP3W 640 9.137 8.516 4.456 1.00 0.00 WT1 H ATOM 277 H2 TIP3W 640 8.663 6.985 4.450 1.00 0.00 WT1 H ATOM 278 OH2 TIP3W 659 2.507 3.170 7.006 1.00 0.00 WT1 O ATOM 279 H1 TIP3W 659 3.226 3.006 6.295 1.00 0.00 WT1 H ATOM 280 H2 TIP3W 659 2.030 2.297 7.082 1.00 0.00 WT1 H ATOM 281 OH2 TIP3W 662 -10.210 9.318 12.067 1.00 0.00 WT1 O ATOM 282 H1 TIP3W 662 -9.889 9.684 12.901 1.00 0.00 WT1 H ATOM 283 H2 TIP3W 662 -11.165 9.196 12.248 1.00 0.00 WT1 H ATOM 284 OH2 TIP3W 822 -13.253 -9.531 -3.421 1.00 0.00 WT1 O ATOM 285 H1 TIP3W 822 -13.574 -10.432 -3.661 1.00 0.00 WT1 H ATOM 286 H2 TIP3W 822 -12.495 -9.415 -4.010 1.00 0.00 WT1 H ATOM 287 OH2 TIP3W 849 -8.644 -8.612 2.046 1.00 0.00 WT1 O ATOM 288 H1 TIP3W 849 -8.116 -7.936 2.461 1.00 0.00 WT1 H ATOM 289 H2 TIP3W 849 -8.408 -9.378 2.537 1.00 0.00 WT1 H ATOM 290 OH2 TIP3W 867 -3.296 -7.279 1.883 1.00 0.00 WT1 O ATOM 291 H1 TIP3W 867 -3.099 -7.088 2.836 1.00 0.00 WT1 H ATOM 292 H2 TIP3W 867 -3.873 -8.028 1.998 1.00 0.00 WT1 H ATOM 293 OH2 TIP3W 887 12.897 -1.906 -13.321 1.00 0.00 WT1 O ATOM 294 H1 TIP3W 887 12.514 -2.720 -13.696 1.00 0.00 WT1 H ATOM 295 H2 TIP3W 887 13.875 -2.073 -13.447 1.00 0.00 WT1 H ATOM 296 OH2 TIP3W 889 -11.811 -12.294 10.878 1.00 0.00 WT1 O ATOM 297 H1 TIP3W 889 -12.536 -12.909 10.710 1.00 0.00 WT1 H ATOM 298 H2 TIP3W 889 -11.875 -12.195 11.900 1.00 0.00 WT1 H ATOM 299 OH2 TIP3W 891 -2.237 5.614 -4.042 1.00 0.00 WT1 O ATOM 300 H1 TIP3W 891 -1.721 6.405 -4.134 1.00 0.00 WT1 H ATOM 301 H2 TIP3W 891 -1.565 4.905 -4.099 1.00 0.00 WT1 H ATOM 302 OH2 TIP3W 906 -6.973 -11.776 -0.589 1.00 0.00 WT1 O ATOM 303 H1 TIP3W 906 -7.815 -11.199 -0.465 1.00 0.00 WT1 H ATOM 304 H2 TIP3W 906 -7.308 -12.597 -0.258 1.00 0.00 WT1 H ATOM 305 OH2 TIP3W 907 3.812 -8.229 -8.124 1.00 0.00 WT1 O ATOM 306 H1 TIP3W 907 3.220 -7.684 -8.620 1.00 0.00 WT1 H ATOM 307 H2 TIP3W 907 3.551 -9.131 -8.331 1.00 0.00 WT1 H ATOM 308 OH2 TIP3W 908 -9.972 -6.301 -1.224 1.00 0.00 WT1 O ATOM 309 H1 TIP3W 908 -9.423 -6.807 -1.862 1.00 0.00 WT1 H ATOM 310 H2 TIP3W 908 -10.829 -6.680 -1.456 1.00 0.00 WT1 H ATOM 311 OH2 TIP3W 911 -2.951 -4.120 12.882 1.00 0.00 WT1 O ATOM 312 H1 TIP3W 911 -2.605 -4.519 13.655 1.00 0.00 WT1 H ATOM 313 H2 TIP3W 911 -2.095 -3.905 12.383 1.00 0.00 WT1 H ATOM 314 OH2 TIP3W 912 8.133 -11.114 5.843 1.00 0.00 WT1 O ATOM 315 H1 TIP3W 912 8.929 -11.404 6.262 1.00 0.00 WT1 H ATOM 316 H2 TIP3W 912 7.486 -11.172 6.561 1.00 0.00 WT1 H ATOM 317 OH2 TIP3W 924 -1.507 -4.549 -11.785 1.00 0.00 WT1 O ATOM 318 H1 TIP3W 924 -1.092 -4.160 -11.013 1.00 0.00 WT1 H ATOM 319 H2 TIP3W 924 -1.018 -5.359 -11.961 1.00 0.00 WT1 H ATOM 320 OH2 TIP3W 927 -2.823 -4.390 -6.072 1.00 0.00 WT1 O ATOM 321 H1 TIP3W 927 -3.557 -3.828 -5.947 1.00 0.00 WT1 H ATOM 322 H2 TIP3W 927 -3.134 -5.212 -5.702 1.00 0.00 WT1 H ATOM 323 OH2 TIP3W 928 -12.162 -10.794 1.398 1.00 0.00 WT1 O ATOM 324 H1 TIP3W 928 -11.799 -9.919 1.545 1.00 0.00 WT1 H ATOM 325 H2 TIP3W 928 -11.883 -11.001 0.422 1.00 0.00 WT1 H ATOM 326 OH2 TIP3W 929 2.133 -1.407 2.908 1.00 0.00 WT1 O ATOM 327 H1 TIP3W 929 1.352 -1.231 2.391 1.00 0.00 WT1 H ATOM 328 H2 TIP3W 929 1.887 -2.124 3.511 1.00 0.00 WT1 H ATOM 329 OH2 TIP3W 930 -12.101 -2.376 3.893 1.00 0.00 WT1 O ATOM 330 H1 TIP3W 930 -12.861 -2.322 3.305 1.00 0.00 WT1 H ATOM 331 H2 TIP3W 930 -11.742 -1.465 3.855 1.00 0.00 WT1 H ATOM 332 OH2 TIP3W 933 -10.542 -4.132 8.419 1.00 0.00 WT1 O ATOM 333 H1 TIP3W 933 -9.602 -3.984 8.654 1.00 0.00 WT1 H ATOM 334 H2 TIP3W 933 -10.552 -3.811 7.495 1.00 0.00 WT1 H ATOM 335 OH2 TIP3W 936 -11.076 -9.857 12.959 1.00 0.00 WT1 O ATOM 336 H1 TIP3W 936 -10.442 -9.454 12.376 1.00 0.00 WT1 H ATOM 337 H2 TIP3W 936 -11.335 -9.170 13.592 1.00 0.00 WT1 H ATOM 338 OH2 TIP3W 942 4.441 2.134 -10.160 1.00 0.00 WT1 O ATOM 339 H1 TIP3W 942 4.610 2.488 -11.032 1.00 0.00 WT1 H ATOM 340 H2 TIP3W 942 5.113 1.407 -10.039 1.00 0.00 WT1 H ATOM 341 OH2 TIP3W 947 1.430 -10.726 -6.593 1.00 0.00 WT1 O ATOM 342 H1 TIP3W 947 1.458 -11.259 -5.843 1.00 0.00 WT1 H ATOM 343 H2 TIP3W 947 1.933 -11.260 -7.230 1.00 0.00 WT1 H ATOM 344 OH2 TIP3W 948 -0.866 -9.465 -7.441 1.00 0.00 WT1 O ATOM 345 H1 TIP3W 948 -1.566 -10.068 -7.062 1.00 0.00 WT1 H ATOM 346 H2 TIP3W 948 -0.041 -9.838 -7.035 1.00 0.00 WT1 H ATOM 347 OH2 TIP3W 949 -8.292 -9.574 10.418 1.00 0.00 WT1 O ATOM 348 H1 TIP3W 949 -7.998 -9.297 11.300 1.00 0.00 WT1 H ATOM 349 H2 TIP3W 949 -8.843 -8.832 10.144 1.00 0.00 WT1 H ATOM 350 OH2 TIP3W 953 1.398 -12.448 4.246 1.00 0.00 WT1 O ATOM 351 H1 TIP3W 953 2.016 -12.049 3.566 1.00 0.00 WT1 H ATOM 352 H2 TIP3W 953 0.574 -11.989 4.109 1.00 0.00 WT1 H ATOM 353 OH2 TIP3W 964 -6.170 5.751 -12.005 1.00 0.00 WT1 O ATOM 354 H1 TIP3W 964 -6.743 5.870 -12.753 1.00 0.00 WT1 H ATOM 355 H2 TIP3W 964 -5.671 4.923 -12.115 1.00 0.00 WT1 H ATOM 356 OH2 TIP3W 970 -0.337 12.432 -7.471 1.00 0.00 WT1 O ATOM 357 H1 TIP3W 970 -0.149 12.261 -6.518 1.00 0.00 WT1 H ATOM 358 H2 TIP3W 970 -0.645 13.375 -7.468 1.00 0.00 WT1 H ATOM 359 OH2 TIP3W 972 1.027 -2.751 -4.194 1.00 0.00 WT1 O ATOM 360 H1 TIP3W 972 1.636 -3.047 -4.896 1.00 0.00 WT1 H ATOM 361 H2 TIP3W 972 0.929 -1.806 -4.455 1.00 0.00 WT1 H ATOM 362 OH2 TIP3W 973 5.530 5.813 10.413 1.00 0.00 WT1 O ATOM 363 H1 TIP3W 973 6.399 6.251 10.331 1.00 0.00 WT1 H ATOM 364 H2 TIP3W 973 5.755 4.876 10.418 1.00 0.00 WT1 H ATOM 365 OH2 TIP3W 974 -3.726 -2.552 6.959 1.00 0.00 WT1 O ATOM 366 H1 TIP3W 974 -3.107 -2.927 7.654 1.00 0.00 WT1 H ATOM 367 H2 TIP3W 974 -3.656 -3.109 6.238 1.00 0.00 WT1 H ATOM 368 OH2 TIP3W 975 -2.527 -7.925 7.702 1.00 0.00 WT1 O ATOM 369 H1 TIP3W 975 -1.954 -8.333 8.431 1.00 0.00 WT1 H ATOM 370 H2 TIP3W 975 -3.446 -8.061 8.100 1.00 0.00 WT1 H ATOM 371 OH2 TIP3W 977 -5.682 1.284 11.150 1.00 0.00 WT1 O ATOM 372 H1 TIP3W 977 -5.010 1.079 11.736 1.00 0.00 WT1 H ATOM 373 H2 TIP3W 977 -5.264 1.953 10.564 1.00 0.00 WT1 H ATOM 374 OH2 TIP3W 988 -0.088 12.462 -11.714 1.00 0.00 WT1 O ATOM 375 H1 TIP3W 988 -0.333 13.388 -11.461 1.00 0.00 WT1 H ATOM 376 H2 TIP3W 988 -0.512 11.916 -11.000 1.00 0.00 WT1 H ATOM 377 OH2 TIP3W 992 7.008 -10.730 1.173 1.00 0.00 WT1 O ATOM 378 H1 TIP3W 992 6.390 -9.964 1.084 1.00 0.00 WT1 H ATOM 379 H2 TIP3W 992 7.768 -10.408 0.749 1.00 0.00 WT1 H ATOM 380 OH2 TIP3W 995 -7.200 2.659 3.184 1.00 0.00 WT1 O ATOM 381 H1 TIP3W 995 -6.857 2.649 2.327 1.00 0.00 WT1 H ATOM 382 H2 TIP3W 995 -6.891 3.502 3.568 1.00 0.00 WT1 H ATOM 383 OH2 TIP3W 996 -8.220 3.516 10.024 1.00 0.00 WT1 O ATOM 384 H1 TIP3W 996 -8.894 3.326 9.341 1.00 0.00 WT1 H ATOM 385 H2 TIP3W 996 -8.250 4.485 10.094 1.00 0.00 WT1 H ATOM 386 OH2 TIP3W1007 0.603 4.110 -10.787 1.00 0.00 WT1 O ATOM 387 H1 TIP3W1007 0.275 3.655 -10.037 1.00 0.00 WT1 H ATOM 388 H2 TIP3W1007 -0.158 4.606 -11.122 1.00 0.00 WT1 H ATOM 389 OH2 TIP3W1011 -9.247 6.139 -8.525 1.00 0.00 WT1 O ATOM 390 H1 TIP3W1011 -9.231 7.053 -8.154 1.00 0.00 WT1 H ATOM 391 H2 TIP3W1011 -8.337 6.031 -8.799 1.00 0.00 WT1 H ATOM 392 OH2 TIP3W1013 -12.385 3.355 0.355 1.00 0.00 WT1 O ATOM 393 H1 TIP3W1013 -12.775 2.480 0.420 1.00 0.00 WT1 H ATOM 394 H2 TIP3W1013 -13.141 3.984 0.051 1.00 0.00 WT1 H ATOM 395 OH2 TIP3W1014 -2.913 1.787 6.150 1.00 0.00 WT1 O ATOM 396 H1 TIP3W1014 -2.779 0.877 5.698 1.00 0.00 WT1 H ATOM 397 H2 TIP3W1014 -2.064 1.940 6.591 1.00 0.00 WT1 H ATOM 398 OH2 TIP3W1015 8.578 9.665 9.229 1.00 0.00 WT1 O ATOM 399 H1 TIP3W1015 9.396 9.499 8.734 1.00 0.00 WT1 H ATOM 400 H2 TIP3W1015 7.920 9.775 8.561 1.00 0.00 WT1 H ATOM 401 OH2 TIP3W1018 -11.631 5.620 -3.162 1.00 0.00 WT1 O ATOM 402 H1 TIP3W1018 -11.949 5.425 -2.299 1.00 0.00 WT1 H ATOM 403 H2 TIP3W1018 -10.653 5.717 -3.077 1.00 0.00 WT1 H ATOM 404 OH2 TIP3W1027 1.158 1.218 -12.547 1.00 0.00 WT1 O ATOM 405 H1 TIP3W1027 1.286 2.123 -12.840 1.00 0.00 WT1 H ATOM 406 H2 TIP3W1027 0.175 1.219 -12.413 1.00 0.00 WT1 H ATOM 407 OH2 TIP3W1032 -6.071 -4.399 -9.678 1.00 0.00 WT1 O ATOM 408 H1 TIP3W1032 -6.636 -3.660 -10.088 1.00 0.00 WT1 H ATOM 409 H2 TIP3W1032 -6.682 -4.989 -9.180 1.00 0.00 WT1 H ATOM 410 OH2 TIP3W1033 -3.791 12.935 -12.027 1.00 0.00 WT1 O ATOM 411 H1 TIP3W1033 -4.603 13.288 -12.480 1.00 0.00 WT1 H ATOM 412 H2 TIP3W1033 -3.477 13.672 -11.376 1.00 0.00 WT1 H ATOM 413 OH2 TIP3W1040 -6.875 12.008 2.205 1.00 0.00 WT1 O ATOM 414 H1 TIP3W1040 -6.695 12.912 1.994 1.00 0.00 WT1 H ATOM 415 H2 TIP3W1040 -7.715 11.889 1.734 1.00 0.00 WT1 H ATOM 416 OH2 TIP3W1053 -2.415 9.121 5.455 1.00 0.00 WT1 O ATOM 417 H1 TIP3W1053 -1.587 9.205 5.982 1.00 0.00 WT1 H ATOM 418 H2 TIP3W1053 -3.184 9.266 6.095 1.00 0.00 WT1 H ATOM 419 OH2 TIP3W1059 -0.245 11.794 -4.480 1.00 0.00 WT1 O ATOM 420 H1 TIP3W1059 -1.174 11.669 -4.233 1.00 0.00 WT1 H ATOM 421 H2 TIP3W1059 0.148 11.751 -3.626 1.00 0.00 WT1 H ATOM 422 OH2 TIP3W1100 -7.262 9.712 12.178 1.00 0.00 WT1 O ATOM 423 H1 TIP3W1100 -6.917 10.220 11.441 1.00 0.00 WT1 H ATOM 424 H2 TIP3W1100 -8.093 9.381 11.843 1.00 0.00 WT1 H ATOM 425 OH2 TIP3W1112 -7.297 12.593 -9.152 1.00 0.00 WT1 O ATOM 426 H1 TIP3W1112 -6.593 13.207 -9.239 1.00 0.00 WT1 H ATOM 427 H2 TIP3W1112 -7.284 12.068 -9.987 1.00 0.00 WT1 H ATOM 428 OH2 TIP3W1115 7.371 3.885 -8.125 1.00 0.00 WT1 O ATOM 429 H1 TIP3W1115 6.731 3.190 -7.799 1.00 0.00 WT1 H ATOM 430 H2 TIP3W1115 8.157 3.771 -7.621 1.00 0.00 WT1 H ATOM 431 OH2 TIP3W1117 7.052 0.490 -9.708 1.00 0.00 WT1 O ATOM 432 H1 TIP3W1117 6.664 0.025 -8.991 1.00 0.00 WT1 H ATOM 433 H2 TIP3W1117 7.791 1.006 -9.253 1.00 0.00 WT1 H ATOM 434 OH2 TIP3W1272 -5.212 -10.706 10.627 1.00 0.00 WT1 O ATOM 435 H1 TIP3W1272 -6.126 -10.430 10.750 1.00 0.00 WT1 H ATOM 436 H2 TIP3W1272 -4.829 -10.091 10.019 1.00 0.00 WT1 H ATOM 437 OH2 TIP3W1301 -10.680 -12.561 -10.307 1.00 0.00 WT1 O ATOM 438 H1 TIP3W1301 -10.982 -12.737 -11.205 1.00 0.00 WT1 H ATOM 439 H2 TIP3W1301 -9.782 -12.263 -10.467 1.00 0.00 WT1 H ATOM 440 OH2 TIP3W1308 -5.622 8.836 0.074 1.00 0.00 WT1 O ATOM 441 H1 TIP3W1308 -4.873 9.085 -0.522 1.00 0.00 WT1 H ATOM 442 H2 TIP3W1308 -6.194 9.652 0.112 1.00 0.00 WT1 H ATOM 443 OH2 TIP3W1313 -3.574 5.542 13.064 1.00 0.00 WT1 O ATOM 444 H1 TIP3W1313 -4.532 5.388 13.335 1.00 0.00 WT1 H ATOM 445 H2 TIP3W1313 -3.347 4.803 12.429 1.00 0.00 WT1 H ATOM 446 OH2 TIP3W1326 4.479 -10.911 -12.622 1.00 0.00 WT1 O ATOM 447 H1 TIP3W1326 3.536 -10.792 -12.426 1.00 0.00 WT1 H ATOM 448 H2 TIP3W1326 4.602 -11.860 -12.803 1.00 0.00 WT1 H ATOM 449 OH2 TIP3W1327 1.529 -8.018 -5.481 1.00 0.00 WT1 O ATOM 450 H1 TIP3W1327 2.398 -8.368 -5.188 1.00 0.00 WT1 H ATOM 451 H2 TIP3W1327 1.223 -8.667 -6.133 1.00 0.00 WT1 H ATOM 452 OH2 TIP3W1328 -9.461 -11.395 -5.705 1.00 0.00 WT1 O ATOM 453 H1 TIP3W1328 -8.540 -11.298 -5.877 1.00 0.00 WT1 H ATOM 454 H2 TIP3W1328 -9.566 -12.384 -5.637 1.00 0.00 WT1 H ATOM 455 OH2 TIP3W1329 6.028 -6.920 -4.978 1.00 0.00 WT1 O ATOM 456 H1 TIP3W1329 6.675 -6.285 -4.918 1.00 0.00 WT1 H ATOM 457 H2 TIP3W1329 5.385 -6.427 -5.473 1.00 0.00 WT1 H ATOM 458 OH2 TIP3W1330 8.010 -2.972 4.447 1.00 0.00 WT1 O ATOM 459 H1 TIP3W1330 8.719 -2.939 3.701 1.00 0.00 WT1 H ATOM 460 H2 TIP3W1330 8.590 -2.860 5.220 1.00 0.00 WT1 H ATOM 461 OH2 TIP3W1333 4.350 -7.022 3.615 1.00 0.00 WT1 O ATOM 462 H1 TIP3W1333 4.415 -6.709 2.702 1.00 0.00 WT1 H ATOM 463 H2 TIP3W1333 3.398 -6.841 3.784 1.00 0.00 WT1 H ATOM 464 OH2 TIP3W1344 -5.117 7.581 -8.240 1.00 0.00 WT1 O ATOM 465 H1 TIP3W1344 -5.295 8.232 -7.554 1.00 0.00 WT1 H ATOM 466 H2 TIP3W1344 -4.643 8.008 -8.923 1.00 0.00 WT1 H ATOM 467 OH2 TIP3W1346 5.399 -1.636 -12.020 1.00 0.00 WT1 O ATOM 468 H1 TIP3W1346 5.715 -2.501 -12.402 1.00 0.00 WT1 H ATOM 469 H2 TIP3W1346 5.091 -1.941 -11.154 1.00 0.00 WT1 H ATOM 470 OH2 TIP3W1347 10.165 -7.181 -8.225 1.00 0.00 WT1 O ATOM 471 H1 TIP3W1347 9.867 -7.390 -9.127 1.00 0.00 WT1 H ATOM 472 H2 TIP3W1347 9.362 -6.823 -7.749 1.00 0.00 WT1 H ATOM 473 OH2 TIP3W1352 -7.333 -6.453 -4.354 1.00 0.00 WT1 O ATOM 474 H1 TIP3W1352 -7.897 -7.025 -3.704 1.00 0.00 WT1 H ATOM 475 H2 TIP3W1352 -6.442 -6.708 -3.954 1.00 0.00 WT1 H ATOM 476 OH2 TIP3W1354 -13.818 9.403 7.361 1.00 0.00 WT1 O ATOM 477 H1 TIP3W1354 -13.699 9.585 8.346 1.00 0.00 WT1 H ATOM 478 H2 TIP3W1354 -12.999 8.867 7.220 1.00 0.00 WT1 H ATOM 479 OH2 TIP3W1355 -2.653 2.007 9.148 1.00 0.00 WT1 O ATOM 480 H1 TIP3W1355 -2.221 1.126 9.087 1.00 0.00 WT1 H ATOM 481 H2 TIP3W1355 -3.414 1.923 8.581 1.00 0.00 WT1 H ATOM 482 OH2 TIP3W1356 -8.219 -5.030 11.936 1.00 0.00 WT1 O ATOM 483 H1 TIP3W1356 -7.821 -4.823 11.053 1.00 0.00 WT1 H ATOM 484 H2 TIP3W1356 -7.529 -5.567 12.363 1.00 0.00 WT1 H ATOM 485 OH2 TIP3W1367 -3.871 3.485 -7.450 1.00 0.00 WT1 O ATOM 486 H1 TIP3W1367 -4.769 3.467 -7.080 1.00 0.00 WT1 H ATOM 487 H2 TIP3W1367 -3.892 2.702 -8.015 1.00 0.00 WT1 H ATOM 488 OH2 TIP3W1368 8.412 -6.394 -1.335 1.00 0.00 WT1 O ATOM 489 H1 TIP3W1368 7.852 -6.020 -0.612 1.00 0.00 WT1 H ATOM 490 H2 TIP3W1368 7.958 -7.231 -1.507 1.00 0.00 WT1 H ATOM 491 OH2 TIP3W1370 -9.346 -8.283 -8.977 1.00 0.00 WT1 O ATOM 492 H1 TIP3W1370 -8.941 -8.874 -9.605 1.00 0.00 WT1 H ATOM 493 H2 TIP3W1370 -8.591 -8.215 -8.366 1.00 0.00 WT1 H ATOM 494 OH2 TIP3W1371 -1.664 0.905 -4.650 1.00 0.00 WT1 O ATOM 495 H1 TIP3W1371 -2.151 1.588 -5.117 1.00 0.00 WT1 H ATOM 496 H2 TIP3W1371 -2.432 0.375 -4.230 1.00 0.00 WT1 H ATOM 497 OH2 TIP3W1372 -8.813 -12.301 10.688 1.00 0.00 WT1 O ATOM 498 H1 TIP3W1372 -8.504 -11.407 10.739 1.00 0.00 WT1 H ATOM 499 H2 TIP3W1372 -9.831 -12.127 10.767 1.00 0.00 WT1 H ATOM 500 OH2 TIP3W1374 -8.512 0.255 -0.788 1.00 0.00 WT1 O ATOM 501 H1 TIP3W1374 -7.721 0.126 -0.291 1.00 0.00 WT1 H ATOM 502 H2 TIP3W1374 -9.136 -0.009 -0.122 1.00 0.00 WT1 H ATOM 503 OH2 TIP3W1376 -1.402 -0.842 9.181 1.00 0.00 WT1 O ATOM 504 H1 TIP3W1376 -1.831 -0.794 10.069 1.00 0.00 WT1 H ATOM 505 H2 TIP3W1376 -0.484 -0.977 9.463 1.00 0.00 WT1 H ATOM 506 OH2 TIP3W1387 -10.314 -5.647 -10.599 1.00 0.00 WT1 O ATOM 507 H1 TIP3W1387 -9.506 -6.070 -10.916 1.00 0.00 WT1 H ATOM 508 H2 TIP3W1387 -10.959 -6.273 -10.803 1.00 0.00 WT1 H ATOM 509 OH2 TIP3W1388 1.005 0.526 5.133 1.00 0.00 WT1 O ATOM 510 H1 TIP3W1388 1.742 -0.059 5.238 1.00 0.00 WT1 H ATOM 511 H2 TIP3W1388 0.746 0.453 4.188 1.00 0.00 WT1 H ATOM 512 OH2 TIP3W1407 -0.737 9.513 -6.674 1.00 0.00 WT1 O ATOM 513 H1 TIP3W1407 0.083 9.900 -6.311 1.00 0.00 WT1 H ATOM 514 H2 TIP3W1407 -0.331 8.803 -7.261 1.00 0.00 WT1 H ATOM 515 OH2 TIP3W1408 -9.711 11.675 -12.525 1.00 0.00 WT1 O ATOM 516 H1 TIP3W1408 -8.986 11.297 -12.091 1.00 0.00 WT1 H ATOM 517 H2 TIP3W1408 -10.372 11.027 -12.487 1.00 0.00 WT1 H ATOM 518 OH2 TIP3W1411 -3.970 -2.559 -10.566 1.00 0.00 WT1 O ATOM 519 H1 TIP3W1411 -4.726 -3.173 -10.578 1.00 0.00 WT1 H ATOM 520 H2 TIP3W1411 -3.467 -2.638 -11.339 1.00 0.00 WT1 H ATOM 521 OH2 TIP3W1414 -11.995 3.796 7.122 1.00 0.00 WT1 O ATOM 522 H1 TIP3W1414 -11.227 3.325 7.598 1.00 0.00 WT1 H ATOM 523 H2 TIP3W1414 -11.827 4.758 7.265 1.00 0.00 WT1 H ATOM 524 OH2 TIP3W1415 -0.447 1.240 7.435 1.00 0.00 WT1 O ATOM 525 H1 TIP3W1415 0.103 0.959 6.726 1.00 0.00 WT1 H ATOM 526 H2 TIP3W1415 -0.578 0.470 7.979 1.00 0.00 WT1 H ATOM 527 OH2 TIP3W1417 4.587 1.776 12.957 1.00 0.00 WT1 O ATOM 528 H1 TIP3W1417 3.841 2.261 12.479 1.00 0.00 WT1 H ATOM 529 H2 TIP3W1417 4.572 0.826 12.675 1.00 0.00 WT1 H ATOM 530 OH2 TIP3W1418 -2.544 -11.650 5.585 1.00 0.00 WT1 O ATOM 531 H1 TIP3W1418 -3.269 -11.069 5.730 1.00 0.00 WT1 H ATOM 532 H2 TIP3W1418 -2.454 -12.138 6.401 1.00 0.00 WT1 H ATOM 533 OH2 TIP3W1428 -0.932 -11.086 -3.851 1.00 0.00 WT1 O ATOM 534 H1 TIP3W1428 -1.197 -11.527 -4.705 1.00 0.00 WT1 H ATOM 535 H2 TIP3W1428 0.010 -11.151 -3.888 1.00 0.00 WT1 H ATOM 536 OH2 TIP3W1429 -8.550 -4.933 -8.663 1.00 0.00 WT1 O ATOM 537 H1 TIP3W1429 -9.278 -5.160 -9.289 1.00 0.00 WT1 H ATOM 538 H2 TIP3W1429 -9.061 -5.230 -7.883 1.00 0.00 WT1 H ATOM 539 OH2 TIP3W1430 -4.187 11.619 0.730 1.00 0.00 WT1 O ATOM 540 H1 TIP3W1430 -3.344 11.876 1.164 1.00 0.00 WT1 H ATOM 541 H2 TIP3W1430 -4.804 12.145 1.275 1.00 0.00 WT1 H ATOM 542 OH2 TIP3W1433 -10.703 4.771 3.303 1.00 0.00 WT1 O ATOM 543 H1 TIP3W1433 -10.087 5.272 3.825 1.00 0.00 WT1 H ATOM 544 H2 TIP3W1433 -10.384 4.935 2.408 1.00 0.00 WT1 H ATOM 545 OH2 TIP3W1435 -7.403 1.954 7.463 1.00 0.00 WT1 O ATOM 546 H1 TIP3W1435 -6.843 1.160 7.200 1.00 0.00 WT1 H ATOM 547 H2 TIP3W1435 -6.795 2.451 8.021 1.00 0.00 WT1 H ATOM 548 OH2 TIP3W1437 0.918 -8.990 13.460 1.00 0.00 WT1 O ATOM 549 H1 TIP3W1437 0.592 -8.066 13.510 1.00 0.00 WT1 H ATOM 550 H2 TIP3W1437 1.829 -8.925 13.140 1.00 0.00 WT1 H ATOM 551 OH2 TIP3W1440 -12.557 -10.020 4.627 1.00 0.00 WT1 O ATOM 552 H1 TIP3W1440 -12.464 -10.950 4.247 1.00 0.00 WT1 H ATOM 553 H2 TIP3W1440 -13.411 -9.718 4.256 1.00 0.00 WT1 H ATOM 554 OH2 TIP3W1442 -7.752 -0.495 10.232 1.00 0.00 WT1 O ATOM 555 H1 TIP3W1442 -6.943 -0.178 9.871 1.00 0.00 WT1 H ATOM 556 H2 TIP3W1442 -7.749 -0.199 11.132 1.00 0.00 WT1 H ATOM 557 OH2 TIP3W1450 6.255 11.983 -10.871 1.00 0.00 WT1 O ATOM 558 H1 TIP3W1450 6.472 12.411 -10.046 1.00 0.00 WT1 H ATOM 559 H2 TIP3W1450 5.868 11.098 -10.674 1.00 0.00 WT1 H ATOM 560 OH2 TIP3W1451 -10.752 8.876 -10.299 1.00 0.00 WT1 O ATOM 561 H1 TIP3W1451 -11.338 8.334 -9.752 1.00 0.00 WT1 H ATOM 562 H2 TIP3W1451 -9.894 8.410 -10.219 1.00 0.00 WT1 H ATOM 563 OH2 TIP3W1454 -5.057 5.607 -4.607 1.00 0.00 WT1 O ATOM 564 H1 TIP3W1454 -4.110 5.666 -4.826 1.00 0.00 WT1 H ATOM 565 H2 TIP3W1454 -5.449 5.202 -5.414 1.00 0.00 WT1 H ATOM 566 OH2 TIP3W1455 -6.466 9.313 8.010 1.00 0.00 WT1 O ATOM 567 H1 TIP3W1455 -6.691 8.777 8.738 1.00 0.00 WT1 H ATOM 568 H2 TIP3W1455 -7.303 9.403 7.532 1.00 0.00 WT1 H ATOM 569 OH2 TIP3W1458 -5.656 -6.155 6.429 1.00 0.00 WT1 O ATOM 570 H1 TIP3W1458 -5.521 -5.708 7.236 1.00 0.00 WT1 H ATOM 571 H2 TIP3W1458 -4.898 -5.941 5.900 1.00 0.00 WT1 H ATOM 572 OH2 TIP3W1471 7.892 -4.510 -11.046 1.00 0.00 WT1 O ATOM 573 H1 TIP3W1471 8.662 -5.035 -10.993 1.00 0.00 WT1 H ATOM 574 H2 TIP3W1471 7.279 -5.090 -11.442 1.00 0.00 WT1 H ATOM 575 OH2 TIP3W1474 -7.099 7.557 -4.674 1.00 0.00 WT1 O ATOM 576 H1 TIP3W1474 -6.590 6.744 -4.616 1.00 0.00 WT1 H ATOM 577 H2 TIP3W1474 -6.526 8.077 -5.241 1.00 0.00 WT1 H ATOM 578 OH2 TIP3W1475 2.261 7.789 8.152 1.00 0.00 WT1 O ATOM 579 H1 TIP3W1475 2.684 6.873 7.878 1.00 0.00 WT1 H ATOM 580 H2 TIP3W1475 2.788 8.010 8.873 1.00 0.00 WT1 H ATOM 581 OH2 TIP3W1493 -8.404 9.880 4.762 1.00 0.00 WT1 O ATOM 582 H1 TIP3W1493 -8.273 10.762 5.185 1.00 0.00 WT1 H ATOM 583 H2 TIP3W1493 -7.496 9.604 4.431 1.00 0.00 WT1 H ATOM 584 OH2 TIP3W1497 -7.143 -2.862 -7.171 1.00 0.00 WT1 O ATOM 585 H1 TIP3W1497 -7.893 -2.250 -7.200 1.00 0.00 WT1 H ATOM 586 H2 TIP3W1497 -7.520 -3.613 -7.647 1.00 0.00 WT1 H ATOM 587 OH2 TIP3W1499 -2.243 12.769 6.348 1.00 0.00 WT1 O ATOM 588 H1 TIP3W1499 -2.536 13.496 6.874 1.00 0.00 WT1 H ATOM 589 H2 TIP3W1499 -3.014 12.221 6.287 1.00 0.00 WT1 H ATOM 590 OH2 TIP3W1512 -3.691 7.500 -2.519 1.00 0.00 WT1 O ATOM 591 H1 TIP3W1512 -2.986 6.928 -2.815 1.00 0.00 WT1 H ATOM 592 H2 TIP3W1512 -4.405 6.961 -2.817 1.00 0.00 WT1 H ATOM 593 OH2 TIP3W1515 2.689 12.229 -5.711 1.00 0.00 WT1 O ATOM 594 H1 TIP3W1515 3.192 11.791 -5.000 1.00 0.00 WT1 H ATOM 595 H2 TIP3W1515 2.002 12.674 -5.148 1.00 0.00 WT1 H ATOM 596 OH2 TIP3W1518 -9.671 13.006 12.531 1.00 0.00 WT1 O ATOM 597 H1 TIP3W1518 -9.907 13.925 12.417 1.00 0.00 WT1 H ATOM 598 H2 TIP3W1518 -9.237 13.043 13.393 1.00 0.00 WT1 H ATOM 599 OH2 TIP3W1532 -0.765 8.943 1.633 1.00 0.00 WT1 O ATOM 600 H1 TIP3W1532 -1.387 8.525 2.194 1.00 0.00 WT1 H ATOM 601 H2 TIP3W1532 0.027 8.981 2.180 1.00 0.00 WT1 H ATOM 602 OH2 TIP3W1542 -0.426 10.360 10.620 1.00 0.00 WT1 O ATOM 603 H1 TIP3W1542 0.165 10.812 9.959 1.00 0.00 WT1 H ATOM 604 H2 TIP3W1542 -0.198 9.408 10.433 1.00 0.00 WT1 H ATOM 605 OH2 TIP3W1559 -7.182 6.066 6.150 1.00 0.00 WT1 O ATOM 606 H1 TIP3W1559 -6.314 6.067 6.626 1.00 0.00 WT1 H ATOM 607 H2 TIP3W1559 -7.031 5.869 5.212 1.00 0.00 WT1 H ATOM 608 OH2 TIP3W1611 -6.025 6.030 8.745 1.00 0.00 WT1 O ATOM 609 H1 TIP3W1611 -5.368 6.654 8.435 1.00 0.00 WT1 H ATOM 610 H2 TIP3W1611 -6.559 6.490 9.501 1.00 0.00 WT1 H ATOM 611 OH2 TIP3W1707 -1.887 -13.079 -9.058 1.00 0.00 WT1 O ATOM 612 H1 TIP3W1707 -1.181 -13.365 -8.438 1.00 0.00 WT1 H ATOM 613 H2 TIP3W1707 -2.186 -12.104 -8.777 1.00 0.00 WT1 H ATOM 614 OH2 TIP3W1723 -4.803 -9.625 1.964 1.00 0.00 WT1 O ATOM 615 H1 TIP3W1723 -4.837 -10.410 1.387 1.00 0.00 WT1 H ATOM 616 H2 TIP3W1723 -5.484 -9.833 2.604 1.00 0.00 WT1 H ATOM 617 OH2 TIP3W1725 -11.579 -10.225 -8.942 1.00 0.00 WT1 O ATOM 618 H1 TIP3W1725 -11.316 -11.066 -9.348 1.00 0.00 WT1 H ATOM 619 H2 TIP3W1725 -10.781 -9.660 -8.952 1.00 0.00 WT1 H ATOM 620 OH2 TIP3W1727 4.374 -7.429 10.304 1.00 0.00 WT1 O ATOM 621 H1 TIP3W1727 3.630 -7.175 9.710 1.00 0.00 WT1 H ATOM 622 H2 TIP3W1727 3.973 -8.169 10.860 1.00 0.00 WT1 H ATOM 623 OH2 TIP3W1729 -7.206 -7.125 8.997 1.00 0.00 WT1 O ATOM 624 H1 TIP3W1729 -6.834 -6.185 9.093 1.00 0.00 WT1 H ATOM 625 H2 TIP3W1729 -8.166 -6.971 9.036 1.00 0.00 WT1 H ATOM 626 OH2 TIP3W1730 -2.482 -11.859 0.835 1.00 0.00 WT1 O ATOM 627 H1 TIP3W1730 -2.644 -11.231 0.101 1.00 0.00 WT1 H ATOM 628 H2 TIP3W1730 -1.655 -12.273 0.583 1.00 0.00 WT1 H ATOM 629 OH2 TIP3W1733 -10.826 -12.416 2.976 1.00 0.00 WT1 O ATOM 630 H1 TIP3W1733 -11.630 -11.923 2.810 1.00 0.00 WT1 H ATOM 631 H2 TIP3W1733 -10.730 -13.039 2.252 1.00 0.00 WT1 H ATOM 632 OH2 TIP3W1744 5.819 -12.815 -7.579 1.00 0.00 WT1 O ATOM 633 H1 TIP3W1744 6.354 -12.357 -8.248 1.00 0.00 WT1 H ATOM 634 H2 TIP3W1744 5.767 -13.768 -7.901 1.00 0.00 WT1 H ATOM 635 OH2 TIP3W1746 -3.152 -3.929 4.631 1.00 0.00 WT1 O ATOM 636 H1 TIP3W1746 -3.655 -3.523 3.907 1.00 0.00 WT1 H ATOM 637 H2 TIP3W1746 -2.337 -3.449 4.638 1.00 0.00 WT1 H ATOM 638 OH2 TIP3W1750 -6.939 10.972 -11.457 1.00 0.00 WT1 O ATOM 639 H1 TIP3W1750 -6.015 11.260 -11.563 1.00 0.00 WT1 H ATOM 640 H2 TIP3W1750 -6.849 10.003 -11.555 1.00 0.00 WT1 H ATOM 641 OH2 TIP3W1752 -1.931 -5.234 9.082 1.00 0.00 WT1 O ATOM 642 H1 TIP3W1752 -1.977 -4.710 9.888 1.00 0.00 WT1 H ATOM 643 H2 TIP3W1752 -2.410 -6.044 9.400 1.00 0.00 WT1 H ATOM 644 OH2 TIP3W1757 -5.286 -3.146 12.340 1.00 0.00 WT1 O ATOM 645 H1 TIP3W1757 -4.309 -3.440 12.364 1.00 0.00 WT1 H ATOM 646 H2 TIP3W1757 -5.601 -3.189 13.287 1.00 0.00 WT1 H ATOM 647 OH2 TIP3W1764 -8.859 -12.389 -13.501 1.00 0.00 WT1 O ATOM 648 H1 TIP3W1764 -9.303 -12.890 -12.766 1.00 0.00 WT1 H ATOM 649 H2 TIP3W1764 -7.969 -12.698 -13.414 1.00 0.00 WT1 H ATOM 650 OH2 TIP3W1771 -11.491 -10.495 -1.090 1.00 0.00 WT1 O ATOM 651 H1 TIP3W1771 -11.886 -9.862 -1.685 1.00 0.00 WT1 H ATOM 652 H2 TIP3W1771 -11.285 -11.288 -1.617 1.00 0.00 WT1 H ATOM 653 OH2 TIP3W1773 0.354 -12.648 0.004 1.00 0.00 WT1 O ATOM 654 H1 TIP3W1773 0.694 -13.377 0.565 1.00 0.00 WT1 H ATOM 655 H2 TIP3W1773 0.573 -11.805 0.426 1.00 0.00 WT1 H ATOM 656 OH2 TIP3W1788 0.578 9.489 3.850 1.00 0.00 WT1 O ATOM 657 H1 TIP3W1788 1.476 9.267 3.861 1.00 0.00 WT1 H ATOM 658 H2 TIP3W1788 0.359 9.484 4.771 1.00 0.00 WT1 H ATOM 659 OH2 TIP3W1789 -8.539 -7.246 -12.057 1.00 0.00 WT1 O ATOM 660 H1 TIP3W1789 -7.588 -7.373 -11.982 1.00 0.00 WT1 H ATOM 661 H2 TIP3W1789 -8.791 -8.044 -12.566 1.00 0.00 WT1 H ATOM 662 OH2 TIP3W1794 1.299 -12.629 10.731 1.00 0.00 WT1 O ATOM 663 H1 TIP3W1794 0.856 -12.285 9.949 1.00 0.00 WT1 H ATOM 664 H2 TIP3W1794 2.228 -12.473 10.527 1.00 0.00 WT1 H ATOM 665 OH2 TIP3W1795 0.101 -12.098 8.316 1.00 0.00 WT1 O ATOM 666 H1 TIP3W1795 0.886 -11.602 8.002 1.00 0.00 WT1 H ATOM 667 H2 TIP3W1795 0.108 -12.959 7.813 1.00 0.00 WT1 H ATOM 668 OH2 TIP3W1796 7.008 -8.939 4.457 1.00 0.00 WT1 O ATOM 669 H1 TIP3W1796 6.384 -8.979 5.207 1.00 0.00 WT1 H ATOM 670 H2 TIP3W1796 7.508 -9.790 4.627 1.00 0.00 WT1 H ATOM 671 OH2 TIP3W1808 10.934 -3.881 9.588 1.00 0.00 WT1 O ATOM 672 H1 TIP3W1808 11.124 -4.621 10.125 1.00 0.00 WT1 H ATOM 673 H2 TIP3W1808 10.257 -3.461 10.069 1.00 0.00 WT1 H ATOM 674 OH2 TIP3W1813 -7.858 -2.142 2.052 1.00 0.00 WT1 O ATOM 675 H1 TIP3W1813 -8.238 -1.358 1.675 1.00 0.00 WT1 H ATOM 676 H2 TIP3W1813 -8.434 -2.854 1.661 1.00 0.00 WT1 H ATOM 677 OH2 TIP3W1814 -2.813 5.104 4.681 1.00 0.00 WT1 O ATOM 678 H1 TIP3W1814 -1.971 4.566 4.863 1.00 0.00 WT1 H ATOM 679 H2 TIP3W1814 -3.426 4.773 5.364 1.00 0.00 WT1 H ATOM 680 OH2 TIP3W1816 -4.095 10.448 7.184 1.00 0.00 WT1 O ATOM 681 H1 TIP3W1816 -3.546 10.369 8.014 1.00 0.00 WT1 H ATOM 682 H2 TIP3W1816 -4.904 9.987 7.368 1.00 0.00 WT1 H ATOM 683 OH2 TIP3W1824 8.523 -11.842 -12.502 1.00 0.00 WT1 O ATOM 684 H1 TIP3W1824 8.432 -11.928 -13.454 1.00 0.00 WT1 H ATOM 685 H2 TIP3W1824 8.118 -12.679 -12.139 1.00 0.00 WT1 H ATOM 686 OH2 TIP3W1829 -2.220 -0.491 -13.017 1.00 0.00 WT1 O ATOM 687 H1 TIP3W1829 -1.689 -0.578 -12.206 1.00 0.00 WT1 H ATOM 688 H2 TIP3W1829 -1.621 -0.184 -13.700 1.00 0.00 WT1 H ATOM 689 OH2 TIP3W1830 -0.590 -0.204 -10.794 1.00 0.00 WT1 O ATOM 690 H1 TIP3W1830 -1.140 -0.658 -10.048 1.00 0.00 WT1 H ATOM 691 H2 TIP3W1830 0.378 -0.376 -10.514 1.00 0.00 WT1 H ATOM 692 OH2 TIP3W1831 -6.686 -13.772 -4.848 1.00 0.00 WT1 O ATOM 693 H1 TIP3W1831 -6.553 -13.804 -5.843 1.00 0.00 WT1 H ATOM 694 H2 TIP3W1831 -5.781 -13.664 -4.574 1.00 0.00 WT1 H ATOM 695 OH2 TIP3W1832 4.431 -4.142 7.140 1.00 0.00 WT1 O ATOM 696 H1 TIP3W1832 4.220 -4.080 6.160 1.00 0.00 WT1 H ATOM 697 H2 TIP3W1832 5.003 -4.962 7.186 1.00 0.00 WT1 H ATOM 698 OH2 TIP3W1835 -2.394 13.709 3.607 1.00 0.00 WT1 O ATOM 699 H1 TIP3W1835 -2.304 12.784 3.555 1.00 0.00 WT1 H ATOM 700 H2 TIP3W1835 -2.154 13.850 4.518 1.00 0.00 WT1 H ATOM 701 OH2 TIP3W1836 1.931 -3.860 8.479 1.00 0.00 WT1 O ATOM 702 H1 TIP3W1836 2.804 -4.049 8.187 1.00 0.00 WT1 H ATOM 703 H2 TIP3W1836 1.453 -3.573 7.645 1.00 0.00 WT1 H ATOM 704 OH2 TIP3W1838 7.198 -2.648 8.162 1.00 0.00 WT1 O ATOM 705 H1 TIP3W1838 7.433 -3.350 8.754 1.00 0.00 WT1 H ATOM 706 H2 TIP3W1838 6.481 -2.941 7.590 1.00 0.00 WT1 H ATOM 707 OH2 TIP3W1850 -3.299 10.822 -6.461 1.00 0.00 WT1 O ATOM 708 H1 TIP3W1850 -2.375 10.508 -6.384 1.00 0.00 WT1 H ATOM 709 H2 TIP3W1850 -3.623 10.718 -5.524 1.00 0.00 WT1 H ATOM 710 OH2 TIP3W1851 6.846 6.362 -9.259 1.00 0.00 WT1 O ATOM 711 H1 TIP3W1851 6.810 6.846 -8.356 1.00 0.00 WT1 H ATOM 712 H2 TIP3W1851 6.840 5.389 -9.065 1.00 0.00 WT1 H ATOM 713 OH2 TIP3W1852 -3.972 10.028 -3.993 1.00 0.00 WT1 O ATOM 714 H1 TIP3W1852 -3.925 9.132 -3.576 1.00 0.00 WT1 H ATOM 715 H2 TIP3W1852 -3.960 10.627 -3.215 1.00 0.00 WT1 H ATOM 716 OH2 TIP3W1853 -13.711 -3.462 -0.532 1.00 0.00 WT1 O ATOM 717 H1 TIP3W1853 -13.714 -3.063 -1.398 1.00 0.00 WT1 H ATOM 718 H2 TIP3W1853 -12.738 -3.643 -0.331 1.00 0.00 WT1 H ATOM 719 OH2 TIP3W1854 2.214 -6.153 -9.234 1.00 0.00 WT1 O ATOM 720 H1 TIP3W1854 1.254 -6.008 -8.839 1.00 0.00 WT1 H ATOM 721 H2 TIP3W1854 1.905 -6.608 -10.004 1.00 0.00 WT1 H ATOM 722 OH2 TIP3W1856 -1.560 -1.593 -8.630 1.00 0.00 WT1 O ATOM 723 H1 TIP3W1856 -2.348 -2.113 -8.895 1.00 0.00 WT1 H ATOM 724 H2 TIP3W1856 -1.107 -2.133 -8.023 1.00 0.00 WT1 H ATOM 725 OH2 TIP3W1860 -2.664 3.427 11.469 1.00 0.00 WT1 O ATOM 726 H1 TIP3W1860 -1.881 3.048 11.850 1.00 0.00 WT1 H ATOM 727 H2 TIP3W1860 -2.757 2.886 10.615 1.00 0.00 WT1 H ATOM 728 OH2 TIP3W1861 4.697 2.575 9.068 1.00 0.00 WT1 O ATOM 729 H1 TIP3W1861 4.008 2.779 9.727 1.00 0.00 WT1 H ATOM 730 H2 TIP3W1861 4.228 1.983 8.454 1.00 0.00 WT1 H ATOM 731 OH2 TIP3W1871 -7.032 -2.371 -11.647 1.00 0.00 WT1 O ATOM 732 H1 TIP3W1871 -7.425 -3.104 -12.193 1.00 0.00 WT1 H ATOM 733 H2 TIP3W1871 -6.917 -1.710 -12.410 1.00 0.00 WT1 H ATOM 734 OH2 TIP3W1873 -0.467 -3.450 -6.840 1.00 0.00 WT1 O ATOM 735 H1 TIP3W1873 -1.392 -3.691 -6.510 1.00 0.00 WT1 H ATOM 736 H2 TIP3W1873 0.008 -3.060 -6.075 1.00 0.00 WT1 H ATOM 737 OH2 TIP3W1874 -0.957 4.831 8.933 1.00 0.00 WT1 O ATOM 738 H1 TIP3W1874 -0.561 3.936 8.986 1.00 0.00 WT1 H ATOM 739 H2 TIP3W1874 -1.861 4.764 9.145 1.00 0.00 WT1 H ATOM 740 OH2 TIP3W1875 -1.132 10.879 -9.674 1.00 0.00 WT1 O ATOM 741 H1 TIP3W1875 -0.822 11.390 -8.883 1.00 0.00 WT1 H ATOM 742 H2 TIP3W1875 -0.811 10.009 -9.497 1.00 0.00 WT1 H ATOM 743 OH2 TIP3W1878 9.306 -6.189 8.076 1.00 0.00 WT1 O ATOM 744 H1 TIP3W1878 8.635 -6.114 8.789 1.00 0.00 WT1 H ATOM 745 H2 TIP3W1878 9.960 -6.834 8.410 1.00 0.00 WT1 H ATOM 746 OH2 TIP3W1881 3.708 6.770 -1.131 1.00 0.00 WT1 O ATOM 747 H1 TIP3W1881 2.704 6.781 -1.220 1.00 0.00 WT1 H ATOM 748 H2 TIP3W1881 3.894 5.948 -0.677 1.00 0.00 WT1 H ATOM 749 OH2 TIP3W1885 10.964 -0.124 -11.131 1.00 0.00 WT1 O ATOM 750 H1 TIP3W1885 10.211 -0.801 -11.127 1.00 0.00 WT1 H ATOM 751 H2 TIP3W1885 11.157 0.056 -12.090 1.00 0.00 WT1 H ATOM 752 OH2 TIP3W1895 12.537 -0.096 1.492 1.00 0.00 WT1 O ATOM 753 H1 TIP3W1895 12.365 0.502 2.177 1.00 0.00 WT1 H ATOM 754 H2 TIP3W1895 13.409 -0.518 1.693 1.00 0.00 WT1 H ATOM 755 OH2 TIP3W1896 9.194 6.211 -3.587 1.00 0.00 WT1 O ATOM 756 H1 TIP3W1896 9.287 5.862 -2.660 1.00 0.00 WT1 H ATOM 757 H2 TIP3W1896 9.903 6.869 -3.727 1.00 0.00 WT1 H ATOM 758 OH2 TIP3W1897 -11.001 9.837 6.047 1.00 0.00 WT1 O ATOM 759 H1 TIP3W1897 -11.415 10.567 5.619 1.00 0.00 WT1 H ATOM 760 H2 TIP3W1897 -10.033 9.961 5.863 1.00 0.00 WT1 H ATOM 761 OH2 TIP3W1898 -10.276 11.584 9.543 1.00 0.00 WT1 O ATOM 762 H1 TIP3W1898 -10.065 12.464 9.222 1.00 0.00 WT1 H ATOM 763 H2 TIP3W1898 -9.690 11.508 10.314 1.00 0.00 WT1 H ATOM 764 OH2 TIP3W1900 0.521 2.596 10.056 1.00 0.00 WT1 O ATOM 765 H1 TIP3W1900 0.374 2.000 10.808 1.00 0.00 WT1 H ATOM 766 H2 TIP3W1900 0.055 2.132 9.347 1.00 0.00 WT1 H ATOM 767 OH2 TIP3W1911 -2.358 5.030 -9.134 1.00 0.00 WT1 O ATOM 768 H1 TIP3W1911 -3.248 4.786 -8.791 1.00 0.00 WT1 H ATOM 769 H2 TIP3W1911 -2.466 5.147 -10.103 1.00 0.00 WT1 H ATOM 770 OH2 TIP3W1912 -0.450 7.522 -4.435 1.00 0.00 WT1 O ATOM 771 H1 TIP3W1912 -0.721 7.744 -5.345 1.00 0.00 WT1 H ATOM 772 H2 TIP3W1912 -0.141 8.419 -4.086 1.00 0.00 WT1 H ATOM 773 OH2 TIP3W1914 -1.999 6.877 0.108 1.00 0.00 WT1 O ATOM 774 H1 TIP3W1914 -1.940 7.566 0.774 1.00 0.00 WT1 H ATOM 775 H2 TIP3W1914 -2.814 7.104 -0.371 1.00 0.00 WT1 H ATOM 776 OH2 TIP3W1915 -1.186 3.906 -6.617 1.00 0.00 WT1 O ATOM 777 H1 TIP3W1915 -0.621 3.410 -7.312 1.00 0.00 WT1 H ATOM 778 H2 TIP3W1915 -2.037 3.994 -7.046 1.00 0.00 WT1 H ATOM 779 OH2 TIP3W1919 0.009 11.677 7.729 1.00 0.00 WT1 O ATOM 780 H1 TIP3W1919 0.269 10.939 7.201 1.00 0.00 WT1 H ATOM 781 H2 TIP3W1919 -0.828 11.892 7.272 1.00 0.00 WT1 H ATOM 782 OH2 TIP3W1935 3.995 11.202 -3.577 1.00 0.00 WT1 O ATOM 783 H1 TIP3W1935 4.853 11.548 -3.739 1.00 0.00 WT1 H ATOM 784 H2 TIP3W1935 4.158 10.442 -2.926 1.00 0.00 WT1 H ATOM 785 OH2 TIP3W1936 1.688 11.619 1.026 1.00 0.00 WT1 O ATOM 786 H1 TIP3W1936 0.708 11.775 0.913 1.00 0.00 WT1 H ATOM 787 H2 TIP3W1936 1.726 10.688 0.697 1.00 0.00 WT1 H ATOM 788 OH2 TIP3W1938 2.011 -8.895 7.062 1.00 0.00 WT1 O ATOM 789 H1 TIP3W1938 2.089 -9.833 7.099 1.00 0.00 WT1 H ATOM 790 H2 TIP3W1938 1.134 -8.848 6.694 1.00 0.00 WT1 H ATOM 791 OH2 TIP3W1952 1.989 5.751 -9.138 1.00 0.00 WT1 O ATOM 792 H1 TIP3W1952 1.952 6.632 -9.540 1.00 0.00 WT1 H ATOM 793 H2 TIP3W1952 1.557 5.210 -9.812 1.00 0.00 WT1 H ATOM 794 OH2 TIP3W1955 -7.615 11.655 -6.517 1.00 0.00 WT1 O ATOM 795 H1 TIP3W1955 -7.415 11.839 -7.461 1.00 0.00 WT1 H ATOM 796 H2 TIP3W1955 -8.275 12.337 -6.270 1.00 0.00 WT1 H ATOM 797 OH2 TIP3W1961 -2.983 9.800 9.596 1.00 0.00 WT1 O ATOM 798 H1 TIP3W1961 -3.236 9.363 10.471 1.00 0.00 WT1 H ATOM 799 H2 TIP3W1961 -2.032 10.032 9.763 1.00 0.00 WT1 H ATOM 800 OH2 TIP3W1977 9.688 9.202 -9.897 1.00 0.00 WT1 O ATOM 801 H1 TIP3W1977 9.403 8.394 -10.449 1.00 0.00 WT1 H ATOM 802 H2 TIP3W1977 9.793 9.867 -10.621 1.00 0.00 WT1 H ATOM 803 OH2 TIP3W1987 0.409 5.328 11.695 1.00 0.00 WT1 O ATOM 804 H1 TIP3W1987 0.253 5.060 12.626 1.00 0.00 WT1 H ATOM 805 H2 TIP3W1987 -0.207 4.809 11.183 1.00 0.00 WT1 H ATOM 806 OH2 TIP3W2123 -3.037 -12.263 -2.210 1.00 0.00 WT1 O ATOM 807 H1 TIP3W2123 -3.681 -11.760 -2.666 1.00 0.00 WT1 H ATOM 808 H2 TIP3W2123 -2.291 -11.833 -2.790 1.00 0.00 WT1 H ATOM 809 OH2 TIP3W2127 -13.018 -6.588 11.939 1.00 0.00 WT1 O ATOM 810 H1 TIP3W2127 -12.758 -5.970 11.208 1.00 0.00 WT1 H ATOM 811 H2 TIP3W2127 -13.040 -7.477 11.504 1.00 0.00 WT1 H ATOM 812 OH2 TIP3W2163 -8.474 -5.631 0.858 1.00 0.00 WT1 O ATOM 813 H1 TIP3W2163 -9.050 -5.782 0.072 1.00 0.00 WT1 H ATOM 814 H2 TIP3W2163 -9.055 -5.081 1.363 1.00 0.00 WT1 H ATOM 815 OH2 TIP3W2165 0.776 -9.061 -1.557 1.00 0.00 WT1 O ATOM 816 H1 TIP3W2165 0.636 -8.048 -1.748 1.00 0.00 WT1 H ATOM 817 H2 TIP3W2165 -0.135 -9.288 -1.396 1.00 0.00 WT1 H ATOM 818 OH2 TIP3W2167 -6.471 -9.492 -12.604 1.00 0.00 WT1 O ATOM 819 H1 TIP3W2167 -5.687 -9.418 -13.143 1.00 0.00 WT1 H ATOM 820 H2 TIP3W2167 -7.217 -9.489 -13.232 1.00 0.00 WT1 H ATOM 821 OH2 TIP3W2172 -2.565 -13.164 8.059 1.00 0.00 WT1 O ATOM 822 H1 TIP3W2172 -2.142 -13.897 7.657 1.00 0.00 WT1 H ATOM 823 H2 TIP3W2172 -1.781 -12.719 8.508 1.00 0.00 WT1 H ATOM 824 OH2 TIP3W2185 5.008 -11.803 5.861 1.00 0.00 WT1 O ATOM 825 H1 TIP3W2185 4.936 -10.914 5.425 1.00 0.00 WT1 H ATOM 826 H2 TIP3W2185 5.532 -12.289 5.161 1.00 0.00 WT1 H ATOM 827 OH2 TIP3W2186 10.048 -8.612 2.733 1.00 0.00 WT1 O ATOM 828 H1 TIP3W2186 10.171 -8.139 3.609 1.00 0.00 WT1 H ATOM 829 H2 TIP3W2186 9.125 -8.629 2.599 1.00 0.00 WT1 H ATOM 830 OH2 TIP3W2187 10.212 -12.286 -1.867 1.00 0.00 WT1 O ATOM 831 H1 TIP3W2187 9.582 -12.639 -1.201 1.00 0.00 WT1 H ATOM 832 H2 TIP3W2187 10.341 -13.001 -2.475 1.00 0.00 WT1 H ATOM 833 OH2 TIP3W2211 3.924 -9.320 12.419 1.00 0.00 WT1 O ATOM 834 H1 TIP3W2211 4.862 -9.470 12.316 1.00 0.00 WT1 H ATOM 835 H2 TIP3W2211 3.831 -9.289 13.395 1.00 0.00 WT1 H ATOM 836 OH2 TIP3W2227 -2.800 -9.849 -10.529 1.00 0.00 WT1 O ATOM 837 H1 TIP3W2227 -1.947 -9.640 -10.072 1.00 0.00 WT1 H ATOM 838 H2 TIP3W2227 -3.428 -9.574 -9.862 1.00 0.00 WT1 H ATOM 839 OH2 TIP3W2229 6.914 4.288 -4.772 1.00 0.00 WT1 O ATOM 840 H1 TIP3W2229 7.719 4.468 -4.181 1.00 0.00 WT1 H ATOM 841 H2 TIP3W2229 7.059 4.875 -5.484 1.00 0.00 WT1 H ATOM 842 OH2 TIP3W2231 -9.116 -9.919 -0.287 1.00 0.00 WT1 O ATOM 843 H1 TIP3W2231 -9.030 -9.254 0.373 1.00 0.00 WT1 H ATOM 844 H2 TIP3W2231 -10.068 -10.025 -0.407 1.00 0.00 WT1 H ATOM 845 OH2 TIP3W2232 5.567 -0.220 5.287 1.00 0.00 WT1 O ATOM 846 H1 TIP3W2232 6.031 0.682 5.393 1.00 0.00 WT1 H ATOM 847 H2 TIP3W2232 6.202 -0.764 4.745 1.00 0.00 WT1 H ATOM 848 OH2 TIP3W2234 7.592 -5.839 12.970 1.00 0.00 WT1 O ATOM 849 H1 TIP3W2234 7.978 -6.733 13.048 1.00 0.00 WT1 H ATOM 850 H2 TIP3W2234 7.533 -5.492 13.881 1.00 0.00 WT1 H ATOM 851 OH2 TIP3W2236 -12.204 2.647 12.522 1.00 0.00 WT1 O ATOM 852 H1 TIP3W2236 -11.562 3.380 12.694 1.00 0.00 WT1 H ATOM 853 H2 TIP3W2236 -12.069 2.026 13.267 1.00 0.00 WT1 H ATOM 854 OH2 TIP3W2244 -0.133 -9.376 -10.046 1.00 0.00 WT1 O ATOM 855 H1 TIP3W2244 0.067 -9.359 -9.096 1.00 0.00 WT1 H ATOM 856 H2 TIP3W2244 0.122 -8.506 -10.352 1.00 0.00 WT1 H ATOM 857 OH2 TIP3W2250 3.422 -10.600 -9.798 1.00 0.00 WT1 O ATOM 858 H1 TIP3W2250 4.195 -10.566 -10.402 1.00 0.00 WT1 H ATOM 859 H2 TIP3W2250 3.397 -11.575 -9.593 1.00 0.00 WT1 H ATOM 860 OH2 TIP3W2251 2.691 3.916 -7.241 1.00 0.00 WT1 O ATOM 861 H1 TIP3W2251 2.406 4.553 -7.908 1.00 0.00 WT1 H ATOM 862 H2 TIP3W2251 2.815 4.526 -6.418 1.00 0.00 WT1 H ATOM 863 OH2 TIP3W2253 4.193 3.970 -4.250 1.00 0.00 WT1 O ATOM 864 H1 TIP3W2253 3.958 4.911 -4.167 1.00 0.00 WT1 H ATOM 865 H2 TIP3W2253 5.151 3.990 -4.353 1.00 0.00 WT1 H ATOM 866 OH2 TIP3W2257 -4.328 -13.412 10.858 1.00 0.00 WT1 O ATOM 867 H1 TIP3W2257 -5.052 -13.706 11.377 1.00 0.00 WT1 H ATOM 868 H2 TIP3W2257 -4.659 -12.594 10.518 1.00 0.00 WT1 H ATOM 869 OH2 TIP3W2269 6.640 -6.012 6.638 1.00 0.00 WT1 O ATOM 870 H1 TIP3W2269 6.659 -6.056 5.695 1.00 0.00 WT1 H ATOM 871 H2 TIP3W2269 7.535 -5.696 6.911 1.00 0.00 WT1 H ATOM 872 OH2 TIP3W2270 -10.826 -2.841 -8.046 1.00 0.00 WT1 O ATOM 873 H1 TIP3W2270 -10.096 -2.927 -8.648 1.00 0.00 WT1 H ATOM 874 H2 TIP3W2270 -10.796 -1.896 -7.871 1.00 0.00 WT1 H ATOM 875 OH2 TIP3W2271 10.035 -2.563 -3.058 1.00 0.00 WT1 O ATOM 876 H1 TIP3W2271 10.407 -1.653 -3.161 1.00 0.00 WT1 H ATOM 877 H2 TIP3W2271 9.483 -2.658 -3.848 1.00 0.00 WT1 H ATOM 878 OH2 TIP3W2272 -1.078 -11.089 3.412 1.00 0.00 WT1 O ATOM 879 H1 TIP3W2272 -1.579 -11.569 4.089 1.00 0.00 WT1 H ATOM 880 H2 TIP3W2272 -1.760 -11.004 2.701 1.00 0.00 WT1 H ATOM 881 OH2 TIP3W2275 6.843 1.003 -5.408 1.00 0.00 WT1 O ATOM 882 H1 TIP3W2275 7.616 1.655 -5.476 1.00 0.00 WT1 H ATOM 883 H2 TIP3W2275 6.048 1.519 -5.445 1.00 0.00 WT1 H ATOM 884 OH2 TIP3W2277 -0.356 -6.039 6.946 1.00 0.00 WT1 O ATOM 885 H1 TIP3W2277 -0.817 -6.842 6.680 1.00 0.00 WT1 H ATOM 886 H2 TIP3W2277 -0.982 -5.685 7.687 1.00 0.00 WT1 H ATOM 887 OH2 TIP3W2278 8.665 -8.370 12.951 1.00 0.00 WT1 O ATOM 888 H1 TIP3W2278 8.656 -9.139 13.490 1.00 0.00 WT1 H ATOM 889 H2 TIP3W2278 9.484 -8.508 12.420 1.00 0.00 WT1 H ATOM 890 OH2 TIP3W2280 -7.388 -10.604 3.042 1.00 0.00 WT1 O ATOM 891 H1 TIP3W2280 -7.862 -11.013 3.830 1.00 0.00 WT1 H ATOM 892 H2 TIP3W2280 -7.752 -11.117 2.306 1.00 0.00 WT1 H ATOM 893 OH2 TIP3W2288 -10.372 1.453 -4.316 1.00 0.00 WT1 O ATOM 894 H1 TIP3W2288 -10.396 2.368 -4.635 1.00 0.00 WT1 H ATOM 895 H2 TIP3W2288 -10.734 1.478 -3.408 1.00 0.00 WT1 H ATOM 896 OH2 TIP3W2292 5.460 -8.409 0.445 1.00 0.00 WT1 O ATOM 897 H1 TIP3W2292 6.196 -7.750 0.645 1.00 0.00 WT1 H ATOM 898 H2 TIP3W2292 5.094 -8.125 -0.419 1.00 0.00 WT1 H ATOM 899 OH2 TIP3W2293 -12.359 4.264 -5.864 1.00 0.00 WT1 O ATOM 900 H1 TIP3W2293 -13.245 4.490 -5.992 1.00 0.00 WT1 H ATOM 901 H2 TIP3W2293 -12.019 5.003 -5.335 1.00 0.00 WT1 H ATOM 902 OH2 TIP3W2295 -5.284 -13.181 7.571 1.00 0.00 WT1 O ATOM 903 H1 TIP3W2295 -5.641 -13.601 8.460 1.00 0.00 WT1 H ATOM 904 H2 TIP3W2295 -4.378 -12.954 7.690 1.00 0.00 WT1 H ATOM 905 OH2 TIP3W2296 13.308 -3.359 -1.457 1.00 0.00 WT1 O ATOM 906 H1 TIP3W2296 13.329 -3.716 -2.400 1.00 0.00 WT1 H ATOM 907 H2 TIP3W2296 13.336 -2.403 -1.626 1.00 0.00 WT1 H ATOM 908 OH2 TIP3W2300 0.469 7.877 10.235 1.00 0.00 WT1 O ATOM 909 H1 TIP3W2300 1.324 7.872 9.803 1.00 0.00 WT1 H ATOM 910 H2 TIP3W2300 0.425 6.993 10.640 1.00 0.00 WT1 H ATOM 911 OH2 TIP3W2302 1.109 -0.546 10.094 1.00 0.00 WT1 O ATOM 912 H1 TIP3W2302 1.533 -1.374 10.413 1.00 0.00 WT1 H ATOM 913 H2 TIP3W2302 1.782 -0.101 9.586 1.00 0.00 WT1 H ATOM 914 OH2 TIP3W2309 0.269 -3.999 -9.631 1.00 0.00 WT1 O ATOM 915 H1 TIP3W2309 0.973 -3.472 -9.248 1.00 0.00 WT1 H ATOM 916 H2 TIP3W2309 -0.310 -4.141 -8.908 1.00 0.00 WT1 H ATOM 917 OH2 TIP3W2311 0.691 -0.183 -4.950 1.00 0.00 WT1 O ATOM 918 H1 TIP3W2311 1.162 0.372 -5.615 1.00 0.00 WT1 H ATOM 919 H2 TIP3W2311 -0.179 0.250 -4.887 1.00 0.00 WT1 H ATOM 920 OH2 TIP3W2315 5.251 10.031 1.019 1.00 0.00 WT1 O ATOM 921 H1 TIP3W2315 5.416 10.218 1.967 1.00 0.00 WT1 H ATOM 922 H2 TIP3W2315 6.120 9.940 0.563 1.00 0.00 WT1 H ATOM 923 OH2 TIP3W2316 -1.727 -8.576 -3.596 1.00 0.00 WT1 O ATOM 924 H1 TIP3W2316 -1.616 -9.528 -3.790 1.00 0.00 WT1 H ATOM 925 H2 TIP3W2316 -0.847 -8.286 -3.499 1.00 0.00 WT1 H ATOM 926 OH2 TIP3W2317 -10.241 -0.747 1.143 1.00 0.00 WT1 O ATOM 927 H1 TIP3W2317 -10.448 -0.454 2.059 1.00 0.00 WT1 H ATOM 928 H2 TIP3W2317 -11.138 -0.679 0.740 1.00 0.00 WT1 H ATOM 929 OH2 TIP3W2318 -3.711 10.036 -11.707 1.00 0.00 WT1 O ATOM 930 H1 TIP3W2318 -3.653 10.942 -11.982 1.00 0.00 WT1 H ATOM 931 H2 TIP3W2318 -2.811 9.864 -11.445 1.00 0.00 WT1 H ATOM 932 OH2 TIP3W2319 4.708 6.702 2.942 1.00 0.00 WT1 O ATOM 933 H1 TIP3W2319 4.985 7.641 3.161 1.00 0.00 WT1 H ATOM 934 H2 TIP3W2319 4.995 6.185 3.709 1.00 0.00 WT1 H ATOM 935 OH2 TIP3W2320 4.139 11.548 8.658 1.00 0.00 WT1 O ATOM 936 H1 TIP3W2320 3.534 12.233 8.529 1.00 0.00 WT1 H ATOM 937 H2 TIP3W2320 4.092 11.149 7.779 1.00 0.00 WT1 H ATOM 938 OH2 TIP3W2329 11.575 2.759 -12.058 1.00 0.00 WT1 O ATOM 939 H1 TIP3W2329 11.444 2.307 -11.180 1.00 0.00 WT1 H ATOM 940 H2 TIP3W2329 11.764 1.962 -12.645 1.00 0.00 WT1 H ATOM 941 OH2 TIP3W2331 13.117 -0.596 -6.875 1.00 0.00 WT1 O ATOM 942 H1 TIP3W2331 13.014 -0.658 -5.921 1.00 0.00 WT1 H ATOM 943 H2 TIP3W2331 13.894 -1.127 -7.063 1.00 0.00 WT1 H ATOM 944 OH2 TIP3W2332 12.050 4.753 -3.554 1.00 0.00 WT1 O ATOM 945 H1 TIP3W2332 11.900 5.673 -3.635 1.00 0.00 WT1 H ATOM 946 H2 TIP3W2332 12.455 4.516 -4.453 1.00 0.00 WT1 H ATOM 947 OH2 TIP3W2339 3.003 8.235 5.197 1.00 0.00 WT1 O ATOM 948 H1 TIP3W2339 3.394 7.585 4.572 1.00 0.00 WT1 H ATOM 949 H2 TIP3W2339 2.629 7.813 5.987 1.00 0.00 WT1 H ATOM 950 OH2 TIP3W2345 -0.539 1.768 12.741 1.00 0.00 WT1 O ATOM 951 H1 TIP3W2345 -0.391 2.366 13.510 1.00 0.00 WT1 H ATOM 952 H2 TIP3W2345 -0.600 0.871 13.165 1.00 0.00 WT1 H ATOM 953 OH2 TIP3W2351 3.290 5.292 -11.641 1.00 0.00 WT1 O ATOM 954 H1 TIP3W2351 3.571 4.413 -11.928 1.00 0.00 WT1 H ATOM 955 H2 TIP3W2351 3.248 5.245 -10.654 1.00 0.00 WT1 H ATOM 956 OH2 TIP3W2352 4.766 9.787 -10.016 1.00 0.00 WT1 O ATOM 957 H1 TIP3W2352 4.985 9.007 -10.543 1.00 0.00 WT1 H ATOM 958 H2 TIP3W2352 4.436 9.402 -9.218 1.00 0.00 WT1 H ATOM 959 OH2 TIP3W2355 5.066 2.468 -7.203 1.00 0.00 WT1 O ATOM 960 H1 TIP3W2355 4.300 2.930 -6.811 1.00 0.00 WT1 H ATOM 961 H2 TIP3W2355 4.744 2.292 -8.117 1.00 0.00 WT1 H ATOM 962 OH2 TIP3W2357 -10.883 -2.181 -3.930 1.00 0.00 WT1 O ATOM 963 H1 TIP3W2357 -10.510 -1.504 -4.477 1.00 0.00 WT1 H ATOM 964 H2 TIP3W2357 -10.063 -2.417 -3.461 1.00 0.00 WT1 H ATOM 965 OH2 TIP3W2358 -13.451 2.393 -3.634 1.00 0.00 WT1 O ATOM 966 H1 TIP3W2358 -12.708 2.322 -2.984 1.00 0.00 WT1 H ATOM 967 H2 TIP3W2358 -13.335 3.283 -4.028 1.00 0.00 WT1 H ATOM 968 OH2 TIP3W2359 7.404 9.372 -0.577 1.00 0.00 WT1 O ATOM 969 H1 TIP3W2359 8.157 9.832 -0.909 1.00 0.00 WT1 H ATOM 970 H2 TIP3W2359 7.702 8.597 -0.064 1.00 0.00 WT1 H ATOM 971 OH2 TIP3W2360 -3.507 10.964 13.613 1.00 0.00 WT1 O ATOM 972 H1 TIP3W2360 -2.860 10.305 13.322 1.00 0.00 WT1 H ATOM 973 H2 TIP3W2360 -4.284 10.459 13.898 1.00 0.00 WT1 H ATOM 974 OH2 TIP3W2376 2.936 12.039 -10.049 1.00 0.00 WT1 O ATOM 975 H1 TIP3W2376 2.552 11.515 -9.384 1.00 0.00 WT1 H ATOM 976 H2 TIP3W2376 3.731 11.524 -10.316 1.00 0.00 WT1 H ATOM 977 OH2 TIP3W2377 3.347 -7.106 -1.290 1.00 0.00 WT1 O ATOM 978 H1 TIP3W2377 3.035 -6.719 -2.069 1.00 0.00 WT1 H ATOM 979 H2 TIP3W2377 3.688 -7.953 -1.614 1.00 0.00 WT1 H ATOM 980 OH2 TIP3W2380 1.811 1.289 -6.800 1.00 0.00 WT1 O ATOM 981 H1 TIP3W2380 1.614 0.969 -7.691 1.00 0.00 WT1 H ATOM 982 H2 TIP3W2380 2.024 2.198 -7.013 1.00 0.00 WT1 H ATOM 983 OH2 TIP3W2402 -3.382 8.201 12.019 1.00 0.00 WT1 O ATOM 984 H1 TIP3W2402 -4.051 8.230 12.749 1.00 0.00 WT1 H ATOM 985 H2 TIP3W2402 -3.057 7.315 12.136 1.00 0.00 WT1 H ATOM 986 OH2 TIP3W2418 10.789 8.892 7.785 1.00 0.00 WT1 O ATOM 987 H1 TIP3W2418 10.614 7.960 7.659 1.00 0.00 WT1 H ATOM 988 H2 TIP3W2418 10.930 9.181 6.799 1.00 0.00 WT1 H ATOM 989 OH2 TIP3W2587 11.100 -8.257 7.879 1.00 0.00 WT1 O ATOM 990 H1 TIP3W2587 11.444 -8.912 7.185 1.00 0.00 WT1 H ATOM 991 H2 TIP3W2587 11.721 -8.424 8.596 1.00 0.00 WT1 H ATOM 992 OH2 TIP3W2606 4.327 -13.625 -2.542 1.00 0.00 WT1 O ATOM 993 H1 TIP3W2606 4.825 -13.859 -1.706 1.00 0.00 WT1 H ATOM 994 H2 TIP3W2606 4.403 -12.634 -2.620 1.00 0.00 WT1 H ATOM 995 OH2 TIP3W2607 -3.950 -8.395 -8.242 1.00 0.00 WT1 O ATOM 996 H1 TIP3W2607 -3.845 -7.446 -8.444 1.00 0.00 WT1 H ATOM 997 H2 TIP3W2607 -3.203 -8.611 -7.691 1.00 0.00 WT1 H ATOM 998 OH2 TIP3W2608 -6.119 -10.482 -8.300 1.00 0.00 WT1 O ATOM 999 H1 TIP3W2608 -5.450 -9.775 -8.188 1.00 0.00 WT1 H ATOM 1000 H2 TIP3W2608 -6.930 -10.166 -7.831 1.00 0.00 WT1 H ATOM 1001 OH2 TIP3W2610 11.589 -8.730 -1.463 1.00 0.00 WT1 O ATOM 1002 H1 TIP3W2610 11.815 -9.522 -1.882 1.00 0.00 WT1 H ATOM 1003 H2 TIP3W2610 12.224 -8.566 -0.743 1.00 0.00 WT1 H ATOM 1004 OH2 TIP3W2628 12.162 -4.473 -3.944 1.00 0.00 WT1 O ATOM 1005 H1 TIP3W2628 11.979 -5.367 -3.666 1.00 0.00 WT1 H ATOM 1006 H2 TIP3W2628 11.294 -3.977 -3.718 1.00 0.00 WT1 H ATOM 1007 OH2 TIP3W2632 11.214 5.068 1.432 1.00 0.00 WT1 O ATOM 1008 H1 TIP3W2632 10.652 4.730 2.140 1.00 0.00 WT1 H ATOM 1009 H2 TIP3W2632 10.602 5.144 0.658 1.00 0.00 WT1 H ATOM 1010 OH2 TIP3W2634 -5.441 -10.485 -2.465 1.00 0.00 WT1 O ATOM 1011 H1 TIP3W2634 -5.565 -9.702 -1.845 1.00 0.00 WT1 H ATOM 1012 H2 TIP3W2634 -6.045 -11.101 -2.048 1.00 0.00 WT1 H ATOM 1013 OH2 TIP3W2650 11.669 -10.299 -4.966 1.00 0.00 WT1 O ATOM 1014 H1 TIP3W2650 11.837 -11.235 -5.111 1.00 0.00 WT1 H ATOM 1015 H2 TIP3W2650 12.139 -10.085 -4.145 1.00 0.00 WT1 H ATOM 1016 OH2 TIP3W2654 13.204 -4.323 -6.424 1.00 0.00 WT1 O ATOM 1017 H1 TIP3W2654 13.643 -3.604 -5.980 1.00 0.00 WT1 H ATOM 1018 H2 TIP3W2654 12.766 -4.747 -5.674 1.00 0.00 WT1 H ATOM 1019 OH2 TIP3W2656 -7.968 2.343 12.922 1.00 0.00 WT1 O ATOM 1020 H1 TIP3W2656 -8.881 2.169 12.946 1.00 0.00 WT1 H ATOM 1021 H2 TIP3W2656 -7.889 2.565 11.983 1.00 0.00 WT1 H ATOM 1022 OH2 TIP3W2670 13.684 -4.298 2.088 1.00 0.00 WT1 O ATOM 1023 H1 TIP3W2670 13.282 -5.211 2.213 1.00 0.00 WT1 H ATOM 1024 H2 TIP3W2670 13.247 -3.756 2.771 1.00 0.00 WT1 H ATOM 1025 OH2 TIP3W2673 4.189 -9.418 4.849 1.00 0.00 WT1 O ATOM 1026 H1 TIP3W2673 3.592 -9.228 5.591 1.00 0.00 WT1 H ATOM 1027 H2 TIP3W2673 4.462 -8.571 4.518 1.00 0.00 WT1 H ATOM 1028 OH2 TIP3W2675 -0.413 -12.148 12.990 1.00 0.00 WT1 O ATOM 1029 H1 TIP3W2675 0.111 -12.229 12.142 1.00 0.00 WT1 H ATOM 1030 H2 TIP3W2675 -0.304 -13.035 13.380 1.00 0.00 WT1 H ATOM 1031 OH2 TIP3W2676 11.774 -10.116 5.996 1.00 0.00 WT1 O ATOM 1032 H1 TIP3W2676 11.595 -11.004 6.380 1.00 0.00 WT1 H ATOM 1033 H2 TIP3W2676 11.873 -10.363 5.002 1.00 0.00 WT1 H ATOM 1034 OH2 TIP3W2677 -2.740 -0.761 11.511 1.00 0.00 WT1 O ATOM 1035 H1 TIP3W2677 -2.935 0.001 11.990 1.00 0.00 WT1 H ATOM 1036 H2 TIP3W2677 -2.347 -1.410 12.175 1.00 0.00 WT1 H ATOM 1037 OH2 TIP3W2689 7.509 -9.070 -7.679 1.00 0.00 WT1 O ATOM 1038 H1 TIP3W2689 7.670 -8.168 -7.722 1.00 0.00 WT1 H ATOM 1039 H2 TIP3W2689 8.198 -9.413 -7.036 1.00 0.00 WT1 H ATOM 1040 OH2 TIP3W2690 9.213 -8.759 -5.172 1.00 0.00 WT1 O ATOM 1041 H1 TIP3W2690 10.050 -9.326 -4.885 1.00 0.00 WT1 H ATOM 1042 H2 TIP3W2690 9.460 -7.914 -4.826 1.00 0.00 WT1 H ATOM 1043 OH2 TIP3W2691 1.316 -10.024 1.033 1.00 0.00 WT1 O ATOM 1044 H1 TIP3W2691 1.353 -9.735 0.065 1.00 0.00 WT1 H ATOM 1045 H2 TIP3W2691 0.585 -9.467 1.460 1.00 0.00 WT1 H ATOM 1046 OH2 TIP3W2692 11.596 -7.267 -3.669 1.00 0.00 WT1 O ATOM 1047 H1 TIP3W2692 12.356 -7.859 -3.906 1.00 0.00 WT1 H ATOM 1048 H2 TIP3W2692 11.494 -7.449 -2.709 1.00 0.00 WT1 H ATOM 1049 OH2 TIP3W2694 -5.600 -8.448 -0.443 1.00 0.00 WT1 O ATOM 1050 H1 TIP3W2694 -4.930 -8.760 0.185 1.00 0.00 WT1 H ATOM 1051 H2 TIP3W2694 -6.261 -8.055 0.163 1.00 0.00 WT1 H ATOM 1052 OH2 TIP3W2697 9.742 1.709 4.096 1.00 0.00 WT1 O ATOM 1053 H1 TIP3W2697 10.551 2.106 3.821 1.00 0.00 WT1 H ATOM 1054 H2 TIP3W2697 9.413 1.288 3.231 1.00 0.00 WT1 H ATOM 1055 OH2 TIP3W2701 -2.206 11.052 3.646 1.00 0.00 WT1 O ATOM 1056 H1 TIP3W2701 -1.333 10.804 3.284 1.00 0.00 WT1 H ATOM 1057 H2 TIP3W2701 -2.394 10.326 4.282 1.00 0.00 WT1 H ATOM 1058 OH2 TIP3W2709 5.254 7.282 -11.342 1.00 0.00 WT1 O ATOM 1059 H1 TIP3W2709 5.919 6.761 -10.859 1.00 0.00 WT1 H ATOM 1060 H2 TIP3W2709 4.681 6.629 -11.676 1.00 0.00 WT1 H ATOM 1061 OH2 TIP3W2713 2.114 6.023 -5.152 1.00 0.00 WT1 O ATOM 1062 H1 TIP3W2713 2.232 6.963 -5.391 1.00 0.00 WT1 H ATOM 1063 H2 TIP3W2713 1.257 5.915 -4.700 1.00 0.00 WT1 H ATOM 1064 OH2 TIP3W2714 -9.719 7.161 5.066 1.00 0.00 WT1 O ATOM 1065 H1 TIP3W2714 -8.843 7.058 5.381 1.00 0.00 WT1 H ATOM 1066 H2 TIP3W2714 -9.831 8.110 4.904 1.00 0.00 WT1 H ATOM 1067 OH2 TIP3W2715 7.505 -5.802 -7.855 1.00 0.00 WT1 O ATOM 1068 H1 TIP3W2715 7.809 -4.929 -7.681 1.00 0.00 WT1 H ATOM 1069 H2 TIP3W2715 7.328 -5.751 -8.803 1.00 0.00 WT1 H ATOM 1070 OH2 TIP3W2719 11.995 -1.637 11.902 1.00 0.00 WT1 O ATOM 1071 H1 TIP3W2719 11.653 -0.793 11.530 1.00 0.00 WT1 H ATOM 1072 H2 TIP3W2719 11.203 -2.194 11.809 1.00 0.00 WT1 H ATOM 1073 OH2 TIP3W2734 6.488 -0.827 -7.356 1.00 0.00 WT1 O ATOM 1074 H1 TIP3W2734 5.634 -1.303 -7.069 1.00 0.00 WT1 H ATOM 1075 H2 TIP3W2734 6.688 -0.266 -6.550 1.00 0.00 WT1 H ATOM 1076 OH2 TIP3W2735 -0.400 3.247 -4.002 1.00 0.00 WT1 O ATOM 1077 H1 TIP3W2735 -0.744 2.385 -3.893 1.00 0.00 WT1 H ATOM 1078 H2 TIP3W2735 -0.384 3.337 -4.953 1.00 0.00 WT1 H ATOM 1079 OH2 TIP3W2737 9.968 0.248 11.301 1.00 0.00 WT1 O ATOM 1080 H1 TIP3W2737 9.469 0.664 12.014 1.00 0.00 WT1 H ATOM 1081 H2 TIP3W2737 9.898 0.859 10.541 1.00 0.00 WT1 H ATOM 1082 OH2 TIP3W2738 -4.766 12.832 11.736 1.00 0.00 WT1 O ATOM 1083 H1 TIP3W2738 -4.254 12.180 12.234 1.00 0.00 WT1 H ATOM 1084 H2 TIP3W2738 -5.116 12.235 11.066 1.00 0.00 WT1 H ATOM 1085 OH2 TIP3W2740 13.087 5.612 9.133 1.00 0.00 WT1 O ATOM 1086 H1 TIP3W2740 13.094 4.897 9.801 1.00 0.00 WT1 H ATOM 1087 H2 TIP3W2740 12.150 5.790 9.002 1.00 0.00 WT1 H ATOM 1088 OH2 TIP3W2743 4.476 -0.983 12.155 1.00 0.00 WT1 O ATOM 1089 H1 TIP3W2743 3.876 -1.442 11.566 1.00 0.00 WT1 H ATOM 1090 H2 TIP3W2743 4.357 -1.392 13.053 1.00 0.00 WT1 H ATOM 1091 OH2 TIP3W2753 6.306 12.975 -7.863 1.00 0.00 WT1 O ATOM 1092 H1 TIP3W2753 5.429 13.310 -7.743 1.00 0.00 WT1 H ATOM 1093 H2 TIP3W2753 6.838 13.794 -7.981 1.00 0.00 WT1 H ATOM 1094 OH2 TIP3W2754 10.900 -3.096 -0.137 1.00 0.00 WT1 O ATOM 1095 H1 TIP3W2754 10.395 -2.989 -0.964 1.00 0.00 WT1 H ATOM 1096 H2 TIP3W2754 11.838 -3.213 -0.379 1.00 0.00 WT1 H ATOM 1097 OH2 TIP3W2755 -7.352 12.409 5.008 1.00 0.00 WT1 O ATOM 1098 H1 TIP3W2755 -6.956 13.167 5.501 1.00 0.00 WT1 H ATOM 1099 H2 TIP3W2755 -7.010 12.530 4.151 1.00 0.00 WT1 H ATOM 1100 OH2 TIP3W2757 2.846 11.884 3.723 1.00 0.00 WT1 O ATOM 1101 H1 TIP3W2757 2.543 11.668 2.806 1.00 0.00 WT1 H ATOM 1102 H2 TIP3W2757 2.469 12.717 3.762 1.00 0.00 WT1 H ATOM 1103 OH2 TIP3W2758 -3.901 4.083 7.099 1.00 0.00 WT1 O ATOM 1104 H1 TIP3W2758 -3.547 3.258 6.699 1.00 0.00 WT1 H ATOM 1105 H2 TIP3W2758 -4.602 3.746 7.690 1.00 0.00 WT1 H ATOM 1106 OH2 TIP3W2771 9.915 2.203 -9.779 1.00 0.00 WT1 O ATOM 1107 H1 TIP3W2771 10.358 1.936 -8.935 1.00 0.00 WT1 H ATOM 1108 H2 TIP3W2771 9.944 1.346 -10.232 1.00 0.00 WT1 H ATOM 1109 OH2 TIP3W2776 3.602 5.622 7.532 1.00 0.00 WT1 O ATOM 1110 H1 TIP3W2776 4.276 5.379 8.185 1.00 0.00 WT1 H ATOM 1111 H2 TIP3W2776 3.124 4.811 7.522 1.00 0.00 WT1 H ATOM 1112 OH2 TIP3W2777 12.417 6.249 -6.088 1.00 0.00 WT1 O ATOM 1113 H1 TIP3W2777 11.862 6.922 -6.459 1.00 0.00 WT1 H ATOM 1114 H2 TIP3W2777 13.149 6.907 -5.751 1.00 0.00 WT1 H ATOM 1115 OH2 TIP3W2778 1.465 -6.045 3.814 1.00 0.00 WT1 O ATOM 1116 H1 TIP3W2778 1.150 -6.021 2.932 1.00 0.00 WT1 H ATOM 1117 H2 TIP3W2778 0.706 -6.437 4.306 1.00 0.00 WT1 H ATOM 1118 OH2 TIP3W2779 -4.844 -1.686 9.966 1.00 0.00 WT1 O ATOM 1119 H1 TIP3W2779 -5.134 -2.115 10.871 1.00 0.00 WT1 H ATOM 1120 H2 TIP3W2779 -3.914 -1.519 10.093 1.00 0.00 WT1 H ATOM 1121 OH2 TIP3W2794 8.042 -3.231 -7.524 1.00 0.00 WT1 O ATOM 1122 H1 TIP3W2794 8.762 -2.834 -6.936 1.00 0.00 WT1 H ATOM 1123 H2 TIP3W2794 7.379 -2.499 -7.654 1.00 0.00 WT1 H ATOM 1124 OH2 TIP3W2806 -2.534 13.575 13.795 1.00 0.00 WT1 O ATOM 1125 H1 TIP3W2806 -2.324 13.642 12.825 1.00 0.00 WT1 H ATOM 1126 H2 TIP3W2806 -2.909 12.734 13.835 1.00 0.00 WT1 H ATOM 1127 OH2 TIP3W2815 6.395 -4.430 -2.366 1.00 0.00 WT1 O ATOM 1128 H1 TIP3W2815 7.018 -5.111 -2.144 1.00 0.00 WT1 H ATOM 1129 H2 TIP3W2815 6.725 -3.687 -1.898 1.00 0.00 WT1 H ATOM 1130 OH2 TIP3W2817 5.892 9.014 4.051 1.00 0.00 WT1 O ATOM 1131 H1 TIP3W2817 6.854 9.005 4.188 1.00 0.00 WT1 H ATOM 1132 H2 TIP3W2817 5.701 10.011 3.953 1.00 0.00 WT1 H ATOM 1133 OH2 TIP3W2818 10.927 10.245 1.997 1.00 0.00 WT1 O ATOM 1134 H1 TIP3W2818 11.786 10.617 1.935 1.00 0.00 WT1 H ATOM 1135 H2 TIP3W2818 10.853 10.047 2.979 1.00 0.00 WT1 H ATOM 1136 OH2 TIP3W2821 13.254 7.261 6.770 1.00 0.00 WT1 O ATOM 1137 H1 TIP3W2821 13.904 7.713 7.261 1.00 0.00 WT1 H ATOM 1138 H2 TIP3W2821 12.810 6.778 7.494 1.00 0.00 WT1 H ATOM 1139 OH2 TIP3W2832 5.917 12.551 -4.960 1.00 0.00 WT1 O ATOM 1140 H1 TIP3W2832 6.120 12.190 -5.860 1.00 0.00 WT1 H ATOM 1141 H2 TIP3W2832 5.806 13.508 -5.129 1.00 0.00 WT1 H ATOM 1142 OH2 TIP3W2845 0.002 8.548 13.246 1.00 0.00 WT1 O ATOM 1143 H1 TIP3W2845 -0.001 8.223 12.330 1.00 0.00 WT1 H ATOM 1144 H2 TIP3W2845 -0.753 7.983 13.672 1.00 0.00 WT1 H ATOM 1145 OH2 TIP3W2857 1.727 12.799 -2.529 1.00 0.00 WT1 O ATOM 1146 H1 TIP3W2857 2.447 12.161 -2.206 1.00 0.00 WT1 H ATOM 1147 H2 TIP3W2857 1.668 13.359 -1.784 1.00 0.00 WT1 H ATOM 1148 OH2 TIP3W2866 3.307 7.454 10.794 1.00 0.00 WT1 O ATOM 1149 H1 TIP3W2866 3.994 6.811 10.602 1.00 0.00 WT1 H ATOM 1150 H2 TIP3W2866 3.780 8.132 11.344 1.00 0.00 WT1 H ATOM 1151 OH2 TIP3W2926 -1.176 12.812 11.474 1.00 0.00 WT1 O ATOM 1152 H1 TIP3W2926 -0.305 13.072 11.817 1.00 0.00 WT1 H ATOM 1153 H2 TIP3W2926 -1.100 11.883 11.335 1.00 0.00 WT1 H ATOM 1154 OH2 TIP3W3010 -4.984 -9.914 -5.186 1.00 0.00 WT1 O ATOM 1155 H1 TIP3W3010 -4.623 -8.999 -5.187 1.00 0.00 WT1 H ATOM 1156 H2 TIP3W3010 -5.274 -10.259 -4.339 1.00 0.00 WT1 H ATOM 1157 OH2 TIP3W3012 5.455 -12.744 2.817 1.00 0.00 WT1 O ATOM 1158 H1 TIP3W3012 5.976 -12.253 2.255 1.00 0.00 WT1 H ATOM 1159 H2 TIP3W3012 4.570 -12.359 2.719 1.00 0.00 WT1 H ATOM 1160 OH2 TIP3W3016 -1.535 -9.131 12.264 1.00 0.00 WT1 O ATOM 1161 H1 TIP3W3016 -1.270 -9.211 11.350 1.00 0.00 WT1 H ATOM 1162 H2 TIP3W3016 -0.778 -9.426 12.728 1.00 0.00 WT1 H ATOM 1163 OH2 TIP3W3027 2.203 -11.798 6.733 1.00 0.00 WT1 O ATOM 1164 H1 TIP3W3027 1.723 -12.100 5.943 1.00 0.00 WT1 H ATOM 1165 H2 TIP3W3027 3.147 -11.956 6.493 1.00 0.00 WT1 H ATOM 1166 OH2 TIP3W3049 4.953 -11.050 -0.856 1.00 0.00 WT1 O ATOM 1167 H1 TIP3W3049 4.909 -10.614 0.019 1.00 0.00 WT1 H ATOM 1168 H2 TIP3W3049 5.636 -11.660 -0.658 1.00 0.00 WT1 H ATOM 1169 OH2 TIP3W3053 3.742 -12.096 13.902 1.00 0.00 WT1 O ATOM 1170 H1 TIP3W3053 4.373 -12.150 13.152 1.00 0.00 WT1 H ATOM 1171 H2 TIP3W3053 2.998 -11.601 13.553 1.00 0.00 WT1 H ATOM 1172 OH2 TIP3W3070 5.162 12.826 -0.278 1.00 0.00 WT1 O ATOM 1173 H1 TIP3W3070 6.048 12.911 -0.581 1.00 0.00 WT1 H ATOM 1174 H2 TIP3W3070 5.172 12.129 0.355 1.00 0.00 WT1 H ATOM 1175 OH2 TIP3W3072 -7.561 -8.856 -6.545 1.00 0.00 WT1 O ATOM 1176 H1 TIP3W3072 -6.690 -9.164 -6.163 1.00 0.00 WT1 H ATOM 1177 H2 TIP3W3072 -7.879 -8.181 -5.884 1.00 0.00 WT1 H ATOM 1178 OH2 TIP3W3073 4.651 -9.351 -5.579 1.00 0.00 WT1 O ATOM 1179 H1 TIP3W3073 5.326 -8.678 -5.432 1.00 0.00 WT1 H ATOM 1180 H2 TIP3W3073 4.363 -9.256 -6.507 1.00 0.00 WT1 H ATOM 1181 OH2 TIP3W3085 10.148 -9.531 -12.486 1.00 0.00 WT1 O ATOM 1182 H1 TIP3W3085 9.319 -10.059 -12.560 1.00 0.00 WT1 H ATOM 1183 H2 TIP3W3085 10.739 -10.145 -12.019 1.00 0.00 WT1 H ATOM 1184 OH2 TIP3W3086 5.393 -8.241 -12.315 1.00 0.00 WT1 O ATOM 1185 H1 TIP3W3086 5.002 -9.112 -12.282 1.00 0.00 WT1 H ATOM 1186 H2 TIP3W3086 5.316 -7.918 -11.414 1.00 0.00 WT1 H ATOM 1187 OH2 TIP3W3091 4.637 -5.010 -9.384 1.00 0.00 WT1 O ATOM 1188 H1 TIP3W3091 3.786 -5.379 -9.487 1.00 0.00 WT1 H ATOM 1189 H2 TIP3W3091 4.594 -4.067 -9.375 1.00 0.00 WT1 H ATOM 1190 OH2 TIP3W3095 11.917 -5.103 7.213 1.00 0.00 WT1 O ATOM 1191 H1 TIP3W3095 11.210 -5.664 7.602 1.00 0.00 WT1 H ATOM 1192 H2 TIP3W3095 11.993 -4.348 7.819 1.00 0.00 WT1 H ATOM 1193 OH2 TIP3W3096 -0.669 -9.437 9.416 1.00 0.00 WT1 O ATOM 1194 H1 TIP3W3096 0.315 -9.228 9.360 1.00 0.00 WT1 H ATOM 1195 H2 TIP3W3096 -0.785 -10.322 9.134 1.00 0.00 WT1 H ATOM 1196 OH2 TIP3W3108 4.410 -12.027 -5.420 1.00 0.00 WT1 O ATOM 1197 H1 TIP3W3108 4.658 -11.085 -5.477 1.00 0.00 WT1 H ATOM 1198 H2 TIP3W3108 4.788 -12.433 -6.250 1.00 0.00 WT1 H ATOM 1199 OH2 TIP3W3109 8.635 7.010 -11.098 1.00 0.00 WT1 O ATOM 1200 H1 TIP3W3109 8.191 7.343 -11.926 1.00 0.00 WT1 H ATOM 1201 H2 TIP3W3109 7.968 6.900 -10.447 1.00 0.00 WT1 H ATOM 1202 OH2 TIP3W3111 11.022 1.022 -7.649 1.00 0.00 WT1 O ATOM 1203 H1 TIP3W3111 11.811 0.708 -7.043 1.00 0.00 WT1 H ATOM 1204 H2 TIP3W3111 10.417 0.272 -7.596 1.00 0.00 WT1 H ATOM 1205 OH2 TIP3W3112 13.034 -0.430 -1.429 1.00 0.00 WT1 O ATOM 1206 H1 TIP3W3112 12.603 -0.608 -0.549 1.00 0.00 WT1 H ATOM 1207 H2 TIP3W3112 13.165 0.547 -1.443 1.00 0.00 WT1 H ATOM 1208 OH2 TIP3W3113 8.270 -0.168 8.593 1.00 0.00 WT1 O ATOM 1209 H1 TIP3W3113 7.856 -1.023 8.328 1.00 0.00 WT1 H ATOM 1210 H2 TIP3W3113 7.777 0.037 9.436 1.00 0.00 WT1 H ATOM 1211 OH2 TIP3W3114 13.885 -6.638 -0.088 1.00 0.00 WT1 O ATOM 1212 H1 TIP3W3114 13.855 -5.652 0.015 1.00 0.00 WT1 H ATOM 1213 H2 TIP3W3114 13.734 -6.961 0.825 1.00 0.00 WT1 H ATOM 1214 OH2 TIP3W3115 7.606 -3.701 -4.636 1.00 0.00 WT1 O ATOM 1215 H1 TIP3W3115 8.239 -4.380 -4.471 1.00 0.00 WT1 H ATOM 1216 H2 TIP3W3115 6.962 -3.778 -3.901 1.00 0.00 WT1 H ATOM 1217 OH2 TIP3W3129 10.355 -5.463 -11.874 1.00 0.00 WT1 O ATOM 1218 H1 TIP3W3129 10.816 -5.037 -12.577 1.00 0.00 WT1 H ATOM 1219 H2 TIP3W3129 10.086 -6.364 -12.172 1.00 0.00 WT1 H ATOM 1220 OH2 TIP3W3131 8.645 -1.781 -10.872 1.00 0.00 WT1 O ATOM 1221 H1 TIP3W3131 7.963 -1.185 -10.501 1.00 0.00 WT1 H ATOM 1222 H2 TIP3W3131 8.260 -2.726 -10.685 1.00 0.00 WT1 H ATOM 1223 OH2 TIP3W3134 -2.599 7.480 3.136 1.00 0.00 WT1 O ATOM 1224 H1 TIP3W3134 -2.478 8.112 3.856 1.00 0.00 WT1 H ATOM 1225 H2 TIP3W3134 -2.745 6.672 3.636 1.00 0.00 WT1 H ATOM 1226 OH2 TIP3W3140 10.170 -12.321 7.197 1.00 0.00 WT1 O ATOM 1227 H1 TIP3W3140 10.257 -12.009 8.097 1.00 0.00 WT1 H ATOM 1228 H2 TIP3W3140 10.268 -13.244 7.263 1.00 0.00 WT1 H ATOM 1229 OH2 TIP3W3150 3.791 -1.740 -9.255 1.00 0.00 WT1 O ATOM 1230 H1 TIP3W3150 3.329 -0.905 -9.387 1.00 0.00 WT1 H ATOM 1231 H2 TIP3W3150 4.004 -1.698 -8.372 1.00 0.00 WT1 H ATOM 1232 OH2 TIP3W3152 8.125 -10.538 -3.547 1.00 0.00 WT1 O ATOM 1233 H1 TIP3W3152 7.341 -10.035 -3.153 1.00 0.00 WT1 H ATOM 1234 H2 TIP3W3152 8.548 -9.773 -3.979 1.00 0.00 WT1 H ATOM 1235 OH2 TIP3W3154 10.178 -2.790 2.579 1.00 0.00 WT1 O ATOM 1236 H1 TIP3W3154 11.024 -2.602 3.026 1.00 0.00 WT1 H ATOM 1237 H2 TIP3W3154 10.455 -2.963 1.648 1.00 0.00 WT1 H ATOM 1238 OH2 TIP3W3155 11.254 12.275 8.147 1.00 0.00 WT1 O ATOM 1239 H1 TIP3W3155 11.872 12.369 7.396 1.00 0.00 WT1 H ATOM 1240 H2 TIP3W3155 11.551 11.476 8.594 1.00 0.00 WT1 H ATOM 1241 OH2 TIP3W3157 8.023 13.254 -0.788 1.00 0.00 WT1 O ATOM 1242 H1 TIP3W3157 8.008 13.284 -1.723 1.00 0.00 WT1 H ATOM 1243 H2 TIP3W3157 8.707 13.959 -0.570 1.00 0.00 WT1 H ATOM 1244 OH2 TIP3W3173 -1.924 -9.355 -0.434 1.00 0.00 WT1 O ATOM 1245 H1 TIP3W3173 -2.000 -8.478 -0.852 1.00 0.00 WT1 H ATOM 1246 H2 TIP3W3173 -2.173 -9.165 0.443 1.00 0.00 WT1 H ATOM 1247 OH2 TIP3W3177 -4.869 -12.925 1.841 1.00 0.00 WT1 O ATOM 1248 H1 TIP3W3177 -4.052 -12.537 1.412 1.00 0.00 WT1 H ATOM 1249 H2 TIP3W3177 -4.887 -13.839 1.464 1.00 0.00 WT1 H ATOM 1250 OH2 TIP3W3179 4.248 10.644 6.171 1.00 0.00 WT1 O ATOM 1251 H1 TIP3W3179 3.826 11.152 5.461 1.00 0.00 WT1 H ATOM 1252 H2 TIP3W3179 4.164 9.727 5.836 1.00 0.00 WT1 H ATOM 1253 OH2 TIP3W3180 10.663 4.966 5.072 1.00 0.00 WT1 O ATOM 1254 H1 TIP3W3180 10.078 5.249 4.381 1.00 0.00 WT1 H ATOM 1255 H2 TIP3W3180 10.908 4.025 4.810 1.00 0.00 WT1 H ATOM 1256 OH2 TIP3W3181 2.339 -2.738 11.272 1.00 0.00 WT1 O ATOM 1257 H1 TIP3W3181 2.299 -3.359 10.513 1.00 0.00 WT1 H ATOM 1258 H2 TIP3W3181 2.064 -3.341 11.958 1.00 0.00 WT1 H ATOM 1259 OH2 TIP3W3192 9.294 2.714 -5.647 1.00 0.00 WT1 O ATOM 1260 H1 TIP3W3192 9.759 3.475 -5.329 1.00 0.00 WT1 H ATOM 1261 H2 TIP3W3192 10.011 2.330 -6.048 1.00 0.00 WT1 H ATOM 1262 OH2 TIP3W3195 8.513 10.059 4.984 1.00 0.00 WT1 O ATOM 1263 H1 TIP3W3195 9.107 10.881 4.956 1.00 0.00 WT1 H ATOM 1264 H2 TIP3W3195 7.878 10.220 5.714 1.00 0.00 WT1 H ATOM 1265 OH2 TIP3W3196 -6.306 -5.662 2.687 1.00 0.00 WT1 O ATOM 1266 H1 TIP3W3196 -6.677 -5.919 3.508 1.00 0.00 WT1 H ATOM 1267 H2 TIP3W3196 -7.009 -5.524 2.072 1.00 0.00 WT1 H ATOM 1268 OH2 TIP3W3198 3.055 -1.061 5.753 1.00 0.00 WT1 O ATOM 1269 H1 TIP3W3198 3.039 -2.039 5.550 1.00 0.00 WT1 H ATOM 1270 H2 TIP3W3198 4.010 -0.871 5.544 1.00 0.00 WT1 H ATOM 1271 OH2 TIP3W3202 11.872 8.902 4.598 1.00 0.00 WT1 O ATOM 1272 H1 TIP3W3202 12.770 8.404 4.718 1.00 0.00 WT1 H ATOM 1273 H2 TIP3W3202 11.176 8.248 4.499 1.00 0.00 WT1 H ATOM 1274 OH2 TIP3W3214 10.647 -1.840 -7.525 1.00 0.00 WT1 O ATOM 1275 H1 TIP3W3214 10.753 -2.240 -8.361 1.00 0.00 WT1 H ATOM 1276 H2 TIP3W3214 11.517 -1.507 -7.337 1.00 0.00 WT1 H ATOM 1277 OH2 TIP3W3215 5.987 5.074 0.941 1.00 0.00 WT1 O ATOM 1278 H1 TIP3W3215 5.169 5.348 1.309 1.00 0.00 WT1 H ATOM 1279 H2 TIP3W3215 6.655 5.523 1.467 1.00 0.00 WT1 H ATOM 1280 OH2 TIP3W3218 -2.088 -0.788 5.726 1.00 0.00 WT1 O ATOM 1281 H1 TIP3W3218 -1.146 -0.775 5.881 1.00 0.00 WT1 H ATOM 1282 H2 TIP3W3218 -2.496 -1.236 6.555 1.00 0.00 WT1 H ATOM 1283 OH2 TIP3W3219 7.300 3.408 9.235 1.00 0.00 WT1 O ATOM 1284 H1 TIP3W3219 6.535 3.076 8.776 1.00 0.00 WT1 H ATOM 1285 H2 TIP3W3219 7.183 2.963 10.104 1.00 0.00 WT1 H ATOM 1286 OH2 TIP3W3223 -8.885 5.820 8.632 1.00 0.00 WT1 O ATOM 1287 H1 TIP3W3223 -9.730 5.752 8.092 1.00 0.00 WT1 H ATOM 1288 H2 TIP3W3223 -8.200 5.585 7.996 1.00 0.00 WT1 H ATOM 1289 OH2 TIP3W3234 2.318 8.811 -5.445 1.00 0.00 WT1 O ATOM 1290 H1 TIP3W3234 2.032 9.275 -4.656 1.00 0.00 WT1 H ATOM 1291 H2 TIP3W3234 3.286 8.916 -5.418 1.00 0.00 WT1 H ATOM 1292 OH2 TIP3W3236 -1.386 13.273 -0.304 1.00 0.00 WT1 O ATOM 1293 H1 TIP3W3236 -0.876 13.950 -0.693 1.00 0.00 WT1 H ATOM 1294 H2 TIP3W3236 -1.932 13.765 0.293 1.00 0.00 WT1 H ATOM 1295 OH2 TIP3W3237 7.939 7.100 1.328 1.00 0.00 WT1 O ATOM 1296 H1 TIP3W3237 8.635 6.640 0.821 1.00 0.00 WT1 H ATOM 1297 H2 TIP3W3237 8.375 7.374 2.180 1.00 0.00 WT1 H ATOM 1298 OH2 TIP3W3238 13.007 11.179 5.763 1.00 0.00 WT1 O ATOM 1299 H1 TIP3W3238 12.673 10.409 5.232 1.00 0.00 WT1 H ATOM 1300 H2 TIP3W3238 13.930 11.173 5.457 1.00 0.00 WT1 H ATOM 1301 OH2 TIP3W3242 4.790 5.328 5.104 1.00 0.00 WT1 O ATOM 1302 H1 TIP3W3242 4.264 5.272 5.886 1.00 0.00 WT1 H ATOM 1303 H2 TIP3W3242 4.586 4.528 4.598 1.00 0.00 WT1 H ATOM 1304 OH2 TIP3W3244 5.287 8.590 -5.270 1.00 0.00 WT1 O ATOM 1305 H1 TIP3W3244 5.768 8.291 -5.966 1.00 0.00 WT1 H ATOM 1306 H2 TIP3W3244 5.323 7.826 -4.633 1.00 0.00 WT1 H ATOM 1307 OH2 TIP3W3247 1.177 13.294 12.773 1.00 0.00 WT1 O ATOM 1308 H1 TIP3W3247 1.219 12.636 13.565 1.00 0.00 WT1 H ATOM 1309 H2 TIP3W3247 2.035 13.115 12.274 1.00 0.00 WT1 H ATOM 1310 OH2 TIP3W3257 12.173 12.160 -11.953 1.00 0.00 WT1 O ATOM 1311 H1 TIP3W3257 11.814 13.030 -12.388 1.00 0.00 WT1 H ATOM 1312 H2 TIP3W3257 13.180 12.313 -12.001 1.00 0.00 WT1 H ATOM 1313 OH2 TIP3W3258 10.149 4.888 -7.467 1.00 0.00 WT1 O ATOM 1314 H1 TIP3W3258 10.021 5.166 -8.399 1.00 0.00 WT1 H ATOM 1315 H2 TIP3W3258 11.032 5.233 -7.278 1.00 0.00 WT1 H ATOM 1316 OH2 TIP3W3262 1.204 9.340 -2.871 1.00 0.00 WT1 O ATOM 1317 H1 TIP3W3262 0.567 9.666 -2.159 1.00 0.00 WT1 H ATOM 1318 H2 TIP3W3262 2.036 9.766 -2.618 1.00 0.00 WT1 H ATOM 1319 OH2 TIP3W3263 8.974 -2.613 11.453 1.00 0.00 WT1 O ATOM 1320 H1 TIP3W3263 8.750 -1.707 11.160 1.00 0.00 WT1 H ATOM 1321 H2 TIP3W3263 8.131 -2.896 11.792 1.00 0.00 WT1 H ATOM 1322 OH2 TIP3W3274 12.353 7.381 -9.560 1.00 0.00 WT1 O ATOM 1323 H1 TIP3W3274 11.914 6.546 -9.729 1.00 0.00 WT1 H ATOM 1324 H2 TIP3W3274 11.689 7.985 -9.148 1.00 0.00 WT1 H ATOM 1325 OH2 TIP3W3280 11.090 8.311 -3.209 1.00 0.00 WT1 O ATOM 1326 H1 TIP3W3280 11.958 8.594 -3.665 1.00 0.00 WT1 H ATOM 1327 H2 TIP3W3280 11.437 7.952 -2.332 1.00 0.00 WT1 H ATOM 1328 OH2 TIP3W3302 10.767 13.580 -9.480 1.00 0.00 WT1 O ATOM 1329 H1 TIP3W3302 10.390 12.725 -9.689 1.00 0.00 WT1 H ATOM 1330 H2 TIP3W3302 10.787 13.986 -10.355 1.00 0.00 WT1 H ATOM 1331 OH2 TIP3W3303 0.170 9.047 6.478 1.00 0.00 WT1 O ATOM 1332 H1 TIP3W3303 1.015 8.883 6.902 1.00 0.00 WT1 H ATOM 1333 H2 TIP3W3303 -0.243 8.177 6.579 1.00 0.00 WT1 H ATOM 1334 OH2 TIP3W3304 -0.837 6.489 6.636 1.00 0.00 WT1 O ATOM 1335 H1 TIP3W3304 -1.550 6.171 6.104 1.00 0.00 WT1 H ATOM 1336 H2 TIP3W3304 -0.780 5.875 7.393 1.00 0.00 WT1 H ATOM 1337 OH2 TIP3W3305 2.280 7.031 13.412 1.00 0.00 WT1 O ATOM 1338 H1 TIP3W3305 1.341 7.271 13.560 1.00 0.00 WT1 H ATOM 1339 H2 TIP3W3305 2.280 7.124 12.419 1.00 0.00 WT1 H ATOM 1340 OH2 TIP3W3367 7.063 13.441 6.605 1.00 0.00 WT1 O ATOM 1341 H1 TIP3W3367 6.963 13.681 5.664 1.00 0.00 WT1 H ATOM 1342 H2 TIP3W3367 6.342 13.928 6.966 1.00 0.00 WT1 H ATOM 1343 OH2 TIP3W3426 1.742 -12.175 -4.226 1.00 0.00 WT1 O ATOM 1344 H1 TIP3W3426 2.699 -12.446 -4.271 1.00 0.00 WT1 H ATOM 1345 H2 TIP3W3426 1.249 -12.826 -3.629 1.00 0.00 WT1 H ATOM 1346 OH2 TIP3W3442 2.570 -0.877 -12.044 1.00 0.00 WT1 O ATOM 1347 H1 TIP3W3442 3.480 -0.979 -12.452 1.00 0.00 WT1 H ATOM 1348 H2 TIP3W3442 2.282 0.096 -12.338 1.00 0.00 WT1 H ATOM 1349 OH2 TIP3W3447 -2.684 -11.727 -6.044 1.00 0.00 WT1 O ATOM 1350 H1 TIP3W3447 -2.609 -12.642 -5.849 1.00 0.00 WT1 H ATOM 1351 H2 TIP3W3447 -3.577 -11.521 -5.819 1.00 0.00 WT1 H ATOM 1352 OH2 TIP3W3484 12.929 -11.058 -2.449 1.00 0.00 WT1 O ATOM 1353 H1 TIP3W3484 13.470 -11.669 -2.955 1.00 0.00 WT1 H ATOM 1354 H2 TIP3W3484 12.250 -11.632 -2.048 1.00 0.00 WT1 H ATOM 1355 OH2 TIP3W3526 6.597 0.632 -12.938 1.00 0.00 WT1 O ATOM 1356 H1 TIP3W3526 7.521 0.797 -12.586 1.00 0.00 WT1 H ATOM 1357 H2 TIP3W3526 6.147 0.090 -12.280 1.00 0.00 WT1 H ATOM 1358 OH2 TIP3W3527 4.338 -3.030 -3.881 1.00 0.00 WT1 O ATOM 1359 H1 TIP3W3527 5.088 -3.437 -3.468 1.00 0.00 WT1 H ATOM 1360 H2 TIP3W3527 4.311 -3.409 -4.783 1.00 0.00 WT1 H ATOM 1361 OH2 TIP3W3534 7.664 -2.200 -1.213 1.00 0.00 WT1 O ATOM 1362 H1 TIP3W3534 7.444 -1.476 -1.781 1.00 0.00 WT1 H ATOM 1363 H2 TIP3W3534 8.536 -2.468 -1.528 1.00 0.00 WT1 H ATOM 1364 OH2 TIP3W3545 -3.593 -7.351 -5.112 1.00 0.00 WT1 O ATOM 1365 H1 TIP3W3545 -4.190 -6.785 -4.614 1.00 0.00 WT1 H ATOM 1366 H2 TIP3W3545 -2.923 -7.583 -4.453 1.00 0.00 WT1 H ATOM 1367 OH2 TIP3W3548 3.817 -1.240 -6.578 1.00 0.00 WT1 O ATOM 1368 H1 TIP3W3548 4.106 -1.340 -5.612 1.00 0.00 WT1 H ATOM 1369 H2 TIP3W3548 3.160 -0.517 -6.553 1.00 0.00 WT1 H ATOM 1370 OH2 TIP3W3554 5.338 -4.156 -6.476 1.00 0.00 WT1 O ATOM 1371 H1 TIP3W3554 5.536 -4.789 -7.212 1.00 0.00 WT1 H ATOM 1372 H2 TIP3W3554 6.226 -3.867 -6.171 1.00 0.00 WT1 H ATOM 1373 OH2 TIP3W3556 7.245 -5.884 9.968 1.00 0.00 WT1 O ATOM 1374 H1 TIP3W3556 7.257 -5.460 10.803 1.00 0.00 WT1 H ATOM 1375 H2 TIP3W3556 6.394 -6.328 9.868 1.00 0.00 WT1 H ATOM 1376 OH2 TIP3W3557 7.166 1.822 12.322 1.00 0.00 WT1 O ATOM 1377 H1 TIP3W3557 6.234 2.005 12.686 1.00 0.00 WT1 H ATOM 1378 H2 TIP3W3557 7.754 2.105 13.059 1.00 0.00 WT1 H ATOM 1379 OH2 TIP3W3573 11.331 -4.120 -9.621 1.00 0.00 WT1 O ATOM 1380 H1 TIP3W3573 11.003 -4.588 -10.448 1.00 0.00 WT1 H ATOM 1381 H2 TIP3W3573 11.326 -4.861 -8.956 1.00 0.00 WT1 H ATOM 1382 OH2 TIP3W3575 6.692 4.742 -1.867 1.00 0.00 WT1 O ATOM 1383 H1 TIP3W3575 6.174 4.581 -1.053 1.00 0.00 WT1 H ATOM 1384 H2 TIP3W3575 6.895 3.820 -2.145 1.00 0.00 WT1 H ATOM 1385 OH2 TIP3W3595 9.999 0.341 -2.781 1.00 0.00 WT1 O ATOM 1386 H1 TIP3W3595 9.278 0.589 -3.279 1.00 0.00 WT1 H ATOM 1387 H2 TIP3W3595 10.589 1.081 -2.951 1.00 0.00 WT1 H ATOM 1388 OH2 TIP3W3596 -6.426 5.420 -9.283 1.00 0.00 WT1 O ATOM 1389 H1 TIP3W3596 -6.296 5.335 -10.321 1.00 0.00 WT1 H ATOM 1390 H2 TIP3W3596 -6.030 6.255 -9.043 1.00 0.00 WT1 H ATOM 1391 OH2 TIP3W3597 5.574 6.666 -3.283 1.00 0.00 WT1 O ATOM 1392 H1 TIP3W3597 6.069 5.902 -2.966 1.00 0.00 WT1 H ATOM 1393 H2 TIP3W3597 4.827 6.684 -2.672 1.00 0.00 WT1 H ATOM 1394 OH2 TIP3W3599 12.427 -7.259 5.304 1.00 0.00 WT1 O ATOM 1395 H1 TIP3W3599 11.883 -7.835 5.866 1.00 0.00 WT1 H ATOM 1396 H2 TIP3W3599 12.265 -6.402 5.719 1.00 0.00 WT1 H ATOM 1397 OH2 TIP3W3600 9.864 6.095 11.624 1.00 0.00 WT1 O ATOM 1398 H1 TIP3W3600 9.843 5.667 12.488 1.00 0.00 WT1 H ATOM 1399 H2 TIP3W3600 10.751 6.351 11.601 1.00 0.00 WT1 H ATOM 1400 OH2 TIP3W3612 13.212 -8.449 -12.038 1.00 0.00 WT1 O ATOM 1401 H1 TIP3W3612 12.802 -8.880 -11.376 1.00 0.00 WT1 H ATOM 1402 H2 TIP3W3612 13.823 -7.884 -11.577 1.00 0.00 WT1 H ATOM 1403 OH2 TIP3W3614 9.131 4.985 -0.319 1.00 0.00 WT1 O ATOM 1404 H1 TIP3W3614 8.287 4.784 -0.795 1.00 0.00 WT1 H ATOM 1405 H2 TIP3W3614 9.593 4.145 -0.348 1.00 0.00 WT1 H ATOM 1406 OH2 TIP3W3615 10.227 2.498 -0.350 1.00 0.00 WT1 O ATOM 1407 H1 TIP3W3615 10.060 1.791 0.216 1.00 0.00 WT1 H ATOM 1408 H2 TIP3W3615 10.818 2.147 -1.021 1.00 0.00 WT1 H ATOM 1409 OH2 TIP3W3619 3.937 -9.343 -2.797 1.00 0.00 WT1 O ATOM 1410 H1 TIP3W3619 3.918 -10.078 -2.121 1.00 0.00 WT1 H ATOM 1411 H2 TIP3W3619 3.704 -9.827 -3.585 1.00 0.00 WT1 H ATOM 1412 OH2 TIP3W3642 12.227 -3.871 13.843 1.00 0.00 WT1 O ATOM 1413 H1 TIP3W3642 12.036 -2.980 13.661 1.00 0.00 WT1 H ATOM 1414 H2 TIP3W3642 13.022 -4.012 13.355 1.00 0.00 WT1 H ATOM 1415 OH2 TIP3W3650 -1.746 5.676 -11.771 1.00 0.00 WT1 O ATOM 1416 H1 TIP3W3650 -1.322 6.538 -11.642 1.00 0.00 WT1 H ATOM 1417 H2 TIP3W3650 -1.885 5.535 -12.750 1.00 0.00 WT1 H ATOM 1418 OH2 TIP3W3651 2.886 9.849 -12.438 1.00 0.00 WT1 O ATOM 1419 H1 TIP3W3651 3.726 10.125 -12.958 1.00 0.00 WT1 H ATOM 1420 H2 TIP3W3651 2.251 10.508 -12.750 1.00 0.00 WT1 H ATOM 1421 OH2 TIP3W3653 6.421 -5.489 0.571 1.00 0.00 WT1 O ATOM 1422 H1 TIP3W3653 6.722 -5.750 1.441 1.00 0.00 WT1 H ATOM 1423 H2 TIP3W3653 5.915 -4.715 0.760 1.00 0.00 WT1 H ATOM 1424 OH2 TIP3W3660 0.036 -6.270 -7.356 1.00 0.00 WT1 O ATOM 1425 H1 TIP3W3660 0.358 -6.862 -6.654 1.00 0.00 WT1 H ATOM 1426 H2 TIP3W3660 -0.114 -5.411 -6.877 1.00 0.00 WT1 H ATOM 1427 OH2 TIP3W3661 -5.976 9.598 3.435 1.00 0.00 WT1 O ATOM 1428 H1 TIP3W3661 -5.098 9.477 3.044 1.00 0.00 WT1 H ATOM 1429 H2 TIP3W3661 -6.350 10.418 3.117 1.00 0.00 WT1 H ATOM 1430 OH2 TIP3W3665 -10.498 4.738 12.015 1.00 0.00 WT1 O ATOM 1431 H1 TIP3W3665 -9.958 5.434 12.414 1.00 0.00 WT1 H ATOM 1432 H2 TIP3W3665 -10.785 5.188 11.221 1.00 0.00 WT1 H ATOM 1433 OH2 TIP3W3684 12.505 6.722 12.381 1.00 0.00 WT1 O ATOM 1434 H1 TIP3W3684 13.423 6.915 12.251 1.00 0.00 WT1 H ATOM 1435 H2 TIP3W3684 12.508 6.422 13.279 1.00 0.00 WT1 H ATOM 1436 OH2 TIP3W3688 10.952 12.251 12.578 1.00 0.00 WT1 O ATOM 1437 H1 TIP3W3688 10.751 13.051 12.086 1.00 0.00 WT1 H ATOM 1438 H2 TIP3W3688 10.062 12.040 12.932 1.00 0.00 WT1 H ATOM 1439 OH2 TIP3W3703 6.942 10.743 7.022 1.00 0.00 WT1 O ATOM 1440 H1 TIP3W3703 6.045 10.484 6.827 1.00 0.00 WT1 H ATOM 1441 H2 TIP3W3703 6.951 11.726 6.788 1.00 0.00 WT1 H ATOM 1442 OH2 TIP3W3707 13.535 11.870 11.374 1.00 0.00 WT1 O ATOM 1443 H1 TIP3W3707 13.116 11.050 11.042 1.00 0.00 WT1 H ATOM 1444 H2 TIP3W3707 12.762 12.449 11.486 1.00 0.00 WT1 H ATOM 1445 OH2 TIP3W3708 2.260 13.219 7.916 1.00 0.00 WT1 O ATOM 1446 H1 TIP3W3708 1.511 12.653 7.903 1.00 0.00 WT1 H ATOM 1447 H2 TIP3W3708 2.351 13.594 6.992 1.00 0.00 WT1 H ATOM 1448 OH2 TIP3W3718 5.644 10.996 -13.477 1.00 0.00 WT1 O ATOM 1449 H1 TIP3W3718 5.757 11.535 -12.635 1.00 0.00 WT1 H ATOM 1450 H2 TIP3W3718 6.557 10.741 -13.711 1.00 0.00 WT1 H ATOM 1451 OH2 TIP3W3723 -2.666 12.903 -2.696 1.00 0.00 WT1 O ATOM 1452 H1 TIP3W3723 -3.233 13.696 -2.424 1.00 0.00 WT1 H ATOM 1453 H2 TIP3W3723 -2.209 12.796 -1.911 1.00 0.00 WT1 H ATOM 1454 OH2 TIP3W3728 -6.129 11.057 10.016 1.00 0.00 WT1 O ATOM 1455 H1 TIP3W3728 -6.639 11.718 9.480 1.00 0.00 WT1 H ATOM 1456 H2 TIP3W3728 -5.901 10.344 9.402 1.00 0.00 WT1 H ATOM 1457 OH2 TIP3W3745 3.407 11.737 11.400 1.00 0.00 WT1 O ATOM 1458 H1 TIP3W3745 3.608 11.784 10.485 1.00 0.00 WT1 H ATOM 1459 H2 TIP3W3745 4.003 11.061 11.697 1.00 0.00 WT1 H ATOM 1460 OH2 TIP3W3787 7.899 7.156 10.376 1.00 0.00 WT1 O ATOM 1461 H1 TIP3W3787 8.735 6.786 10.748 1.00 0.00 WT1 H ATOM 1462 H2 TIP3W3787 8.058 8.130 10.308 1.00 0.00 WT1 H ATOM 1463 OH2 TIP3W3925 8.567 -13.240 1.089 1.00 0.00 WT1 O ATOM 1464 H1 TIP3W3925 9.323 -13.105 1.668 1.00 0.00 WT1 H ATOM 1465 H2 TIP3W3925 8.175 -12.298 1.085 1.00 0.00 WT1 H ATOM 1466 OH2 TIP3W3933 6.520 -8.297 -2.575 1.00 0.00 WT1 O ATOM 1467 H1 TIP3W3933 5.750 -8.841 -2.280 1.00 0.00 WT1 H ATOM 1468 H2 TIP3W3933 6.178 -7.791 -3.402 1.00 0.00 WT1 H ATOM 1469 OH2 TIP3W3935 3.846 -4.960 11.906 1.00 0.00 WT1 O ATOM 1470 H1 TIP3W3935 3.755 -5.755 11.370 1.00 0.00 WT1 H ATOM 1471 H2 TIP3W3935 4.704 -4.640 11.724 1.00 0.00 WT1 H ATOM 1472 OH2 TIP3W3951 6.969 -12.875 -4.175 1.00 0.00 WT1 O ATOM 1473 H1 TIP3W3951 7.514 -12.160 -3.758 1.00 0.00 WT1 H ATOM 1474 H2 TIP3W3951 6.448 -12.367 -4.822 1.00 0.00 WT1 H ATOM 1475 OH2 TIP3W3977 -5.100 -6.690 -2.710 1.00 0.00 WT1 O ATOM 1476 H1 TIP3W3977 -5.261 -7.294 -1.922 1.00 0.00 WT1 H ATOM 1477 H2 TIP3W3977 -4.445 -5.997 -2.469 1.00 0.00 WT1 H ATOM 1478 OH2 TIP3W3991 3.210 -10.954 2.772 1.00 0.00 WT1 O ATOM 1479 H1 TIP3W3991 2.775 -10.377 2.092 1.00 0.00 WT1 H ATOM 1480 H2 TIP3W3991 3.681 -10.271 3.255 1.00 0.00 WT1 H ATOM 1481 OH2 TIP3W3995 6.736 2.419 4.553 1.00 0.00 WT1 O ATOM 1482 H1 TIP3W3995 6.764 2.329 3.557 1.00 0.00 WT1 H ATOM 1483 H2 TIP3W3995 7.696 2.483 4.787 1.00 0.00 WT1 H ATOM 1484 OH2 TIP3W3996 5.951 -7.567 -9.694 1.00 0.00 WT1 O ATOM 1485 H1 TIP3W3996 5.596 -6.598 -9.541 1.00 0.00 WT1 H ATOM 1486 H2 TIP3W3996 5.554 -8.069 -8.972 1.00 0.00 WT1 H ATOM 1487 OH2 TIP3W4009 7.334 -6.778 2.870 1.00 0.00 WT1 O ATOM 1488 H1 TIP3W4009 7.033 -7.557 3.439 1.00 0.00 WT1 H ATOM 1489 H2 TIP3W4009 8.137 -6.517 3.244 1.00 0.00 WT1 H ATOM 1490 OH2 TIP3W4012 -4.505 0.416 -12.021 1.00 0.00 WT1 O ATOM 1491 H1 TIP3W4012 -3.646 0.203 -12.452 1.00 0.00 WT1 H ATOM 1492 H2 TIP3W4012 -4.835 -0.434 -11.901 1.00 0.00 WT1 H ATOM 1493 OH2 TIP3W4015 11.364 -12.735 -6.866 1.00 0.00 WT1 O ATOM 1494 H1 TIP3W4015 10.665 -13.036 -6.210 1.00 0.00 WT1 H ATOM 1495 H2 TIP3W4015 11.826 -13.522 -6.955 1.00 0.00 WT1 H ATOM 1496 OH2 TIP3W4017 9.065 -9.697 -0.374 1.00 0.00 WT1 O ATOM 1497 H1 TIP3W4017 9.694 -8.912 -0.437 1.00 0.00 WT1 H ATOM 1498 H2 TIP3W4017 9.274 -10.119 -1.215 1.00 0.00 WT1 H ATOM 1499 OH2 TIP3W4035 12.318 -7.975 -6.652 1.00 0.00 WT1 O ATOM 1500 H1 TIP3W4035 12.091 -8.638 -6.062 1.00 0.00 WT1 H ATOM 1501 H2 TIP3W4035 11.538 -7.834 -7.227 1.00 0.00 WT1 H ATOM 1502 OH2 TIP3W4036 -0.395 -8.647 5.280 1.00 0.00 WT1 O ATOM 1503 H1 TIP3W4036 -0.342 -9.473 4.812 1.00 0.00 WT1 H ATOM 1504 H2 TIP3W4036 -1.312 -8.633 5.516 1.00 0.00 WT1 H ATOM 1505 OH2 TIP3W4037 5.943 -5.459 -12.909 1.00 0.00 WT1 O ATOM 1506 H1 TIP3W4037 5.708 -6.409 -12.731 1.00 0.00 WT1 H ATOM 1507 H2 TIP3W4037 5.137 -4.967 -12.795 1.00 0.00 WT1 H ATOM 1508 OH2 TIP3W4039 5.484 -8.181 7.991 1.00 0.00 WT1 O ATOM 1509 H1 TIP3W4039 5.186 -7.826 8.828 1.00 0.00 WT1 H ATOM 1510 H2 TIP3W4039 5.734 -7.368 7.445 1.00 0.00 WT1 H ATOM 1511 OH2 TIP3W4055 13.765 6.981 -13.146 1.00 0.00 WT1 O ATOM 1512 H1 TIP3W4055 13.191 6.959 -13.961 1.00 0.00 WT1 H ATOM 1513 H2 TIP3W4055 13.432 7.832 -12.752 1.00 0.00 WT1 H ATOM 1514 OH2 TIP3W4059 9.112 12.630 1.915 1.00 0.00 WT1 O ATOM 1515 H1 TIP3W4059 8.633 12.888 1.096 1.00 0.00 WT1 H ATOM 1516 H2 TIP3W4059 9.826 12.040 1.652 1.00 0.00 WT1 H ATOM 1517 OH2 TIP3W4074 -6.666 3.973 -6.910 1.00 0.00 WT1 O ATOM 1518 H1 TIP3W4074 -6.429 4.390 -7.800 1.00 0.00 WT1 H ATOM 1519 H2 TIP3W4074 -7.467 3.444 -7.115 1.00 0.00 WT1 H ATOM 1520 OH2 TIP3W4076 12.108 2.061 -2.361 1.00 0.00 WT1 O ATOM 1521 H1 TIP3W4076 12.183 2.584 -3.193 1.00 0.00 WT1 H ATOM 1522 H2 TIP3W4076 12.317 2.684 -1.699 1.00 0.00 WT1 H ATOM 1523 OH2 TIP3W4077 -0.088 -2.960 3.383 1.00 0.00 WT1 O ATOM 1524 H1 TIP3W4077 -0.087 -3.068 2.423 1.00 0.00 WT1 H ATOM 1525 H2 TIP3W4077 -0.388 -2.065 3.518 1.00 0.00 WT1 H ATOM 1526 OH2 TIP3W4079 2.975 3.573 11.147 1.00 0.00 WT1 O ATOM 1527 H1 TIP3W4079 2.778 4.429 11.632 1.00 0.00 WT1 H ATOM 1528 H2 TIP3W4079 2.178 3.320 10.650 1.00 0.00 WT1 H ATOM 1529 OH2 TIP3W4081 7.807 5.692 7.956 1.00 0.00 WT1 O ATOM 1530 H1 TIP3W4081 7.892 4.929 8.570 1.00 0.00 WT1 H ATOM 1531 H2 TIP3W4081 7.560 6.390 8.634 1.00 0.00 WT1 H ATOM 1532 OH2 TIP3W4083 10.469 11.918 4.559 1.00 0.00 WT1 O ATOM 1533 H1 TIP3W4083 10.369 12.179 3.594 1.00 0.00 WT1 H ATOM 1534 H2 TIP3W4083 11.495 12.011 4.635 1.00 0.00 WT1 H ATOM 1535 OH2 TIP3W4102 1.725 10.795 13.901 1.00 0.00 WT1 O ATOM 1536 H1 TIP3W4102 1.182 10.055 13.722 1.00 0.00 WT1 H ATOM 1537 H2 TIP3W4102 2.252 10.835 13.062 1.00 0.00 WT1 H ATOM 1538 OH2 TIP3W4104 3.280 0.187 8.328 1.00 0.00 WT1 O ATOM 1539 H1 TIP3W4104 2.926 -0.151 7.493 1.00 0.00 WT1 H ATOM 1540 H2 TIP3W4104 4.191 -0.180 8.308 1.00 0.00 WT1 H ATOM 1541 OH2 TIP3W4139 12.481 13.553 -4.971 1.00 0.00 WT1 O ATOM 1542 H1 TIP3W4139 12.004 13.381 -4.096 1.00 0.00 WT1 H ATOM 1543 H2 TIP3W4139 11.929 13.078 -5.618 1.00 0.00 WT1 H ATOM 1544 OH2 TIP3W4141 7.720 6.988 -5.947 1.00 0.00 WT1 O ATOM 1545 H1 TIP3W4141 8.147 6.491 -5.220 1.00 0.00 WT1 H ATOM 1546 H2 TIP3W4141 8.486 7.373 -6.378 1.00 0.00 WT1 H ATOM 1547 OH2 TIP3W4143 12.601 7.149 -1.345 1.00 0.00 WT1 O ATOM 1548 H1 TIP3W4143 13.129 7.882 -1.020 1.00 0.00 WT1 H ATOM 1549 H2 TIP3W4143 12.906 6.393 -0.862 1.00 0.00 WT1 H ATOM 1550 OH2 TIP3W4163 6.735 5.819 13.128 1.00 0.00 WT1 O ATOM 1551 H1 TIP3W4163 5.885 5.993 13.429 1.00 0.00 WT1 H ATOM 1552 H2 TIP3W4163 6.766 6.363 12.302 1.00 0.00 WT1 H ATOM 1553 OH2 TIP3W4179 12.844 9.498 -12.022 1.00 0.00 WT1 O ATOM 1554 H1 TIP3W4179 12.643 10.419 -11.863 1.00 0.00 WT1 H ATOM 1555 H2 TIP3W4179 12.537 9.018 -11.213 1.00 0.00 WT1 H ATOM 1556 OH2 TIP3W4184 9.350 11.426 -11.351 1.00 0.00 WT1 O ATOM 1557 H1 TIP3W4184 10.136 11.667 -11.925 1.00 0.00 WT1 H ATOM 1558 H2 TIP3W4184 8.685 12.158 -11.650 1.00 0.00 WT1 H ATOM 1559 OH2 TIP3W4202 10.020 9.447 -5.354 1.00 0.00 WT1 O ATOM 1560 H1 TIP3W4202 10.595 9.186 -4.658 1.00 0.00 WT1 H ATOM 1561 H2 TIP3W4202 9.148 9.534 -4.859 1.00 0.00 WT1 H ATOM 1562 OH2 TIP3W4356 9.384 -7.603 5.406 1.00 0.00 WT1 O ATOM 1563 H1 TIP3W4356 9.481 -7.468 6.329 1.00 0.00 WT1 H ATOM 1564 H2 TIP3W4356 8.511 -8.056 5.418 1.00 0.00 WT1 H ATOM 1565 OH2 TIP3W4380 4.036 -12.062 10.191 1.00 0.00 WT1 O ATOM 1566 H1 TIP3W4380 4.772 -12.081 10.829 1.00 0.00 WT1 H ATOM 1567 H2 TIP3W4380 4.423 -12.545 9.463 1.00 0.00 WT1 H ATOM 1568 OH2 TIP3W4394 9.400 -5.608 -3.697 1.00 0.00 WT1 O ATOM 1569 H1 TIP3W4394 10.178 -6.174 -3.711 1.00 0.00 WT1 H ATOM 1570 H2 TIP3W4394 9.008 -5.779 -2.782 1.00 0.00 WT1 H ATOM 1571 OH2 TIP3W4417 11.132 -0.845 4.838 1.00 0.00 WT1 O ATOM 1572 H1 TIP3W4417 10.699 0.066 4.720 1.00 0.00 WT1 H ATOM 1573 H2 TIP3W4417 10.810 -1.123 5.715 1.00 0.00 WT1 H ATOM 1574 OH2 TIP3W4419 11.503 -11.247 2.965 1.00 0.00 WT1 O ATOM 1575 H1 TIP3W4419 11.005 -10.406 2.919 1.00 0.00 WT1 H ATOM 1576 H2 TIP3W4419 11.901 -11.218 2.086 1.00 0.00 WT1 H ATOM 1577 OH2 TIP3W4455 13.445 -9.199 -8.707 1.00 0.00 WT1 O ATOM 1578 H1 TIP3W4455 13.476 -10.017 -8.163 1.00 0.00 WT1 H ATOM 1579 H2 TIP3W4455 13.046 -8.540 -8.139 1.00 0.00 WT1 H ATOM 1580 OH2 TIP3W4480 7.457 5.904 4.849 1.00 0.00 WT1 O ATOM 1581 H1 TIP3W4480 6.517 5.887 4.955 1.00 0.00 WT1 H ATOM 1582 H2 TIP3W4480 7.748 6.201 5.775 1.00 0.00 WT1 H ATOM 1583 OH2 TIP3W4484 7.289 10.440 12.231 1.00 0.00 WT1 O ATOM 1584 H1 TIP3W4484 7.646 10.235 11.374 1.00 0.00 WT1 H ATOM 1585 H2 TIP3W4484 7.743 11.233 12.585 1.00 0.00 WT1 H ATOM 1586 OH2 TIP3W4516 11.948 11.182 -6.605 1.00 0.00 WT1 O ATOM 1587 H1 TIP3W4516 11.997 10.870 -7.514 1.00 0.00 WT1 H ATOM 1588 H2 TIP3W4516 11.233 10.634 -6.130 1.00 0.00 WT1 H ATOM 1589 OH2 TIP3W4519 5.071 3.278 -12.619 1.00 0.00 WT1 O ATOM 1590 H1 TIP3W4519 4.891 3.060 -13.564 1.00 0.00 WT1 H ATOM 1591 H2 TIP3W4519 5.885 2.781 -12.491 1.00 0.00 WT1 H ATOM 1592 OH2 TIP3W4523 9.954 -1.885 7.190 1.00 0.00 WT1 O ATOM 1593 H1 TIP3W4523 10.341 -2.397 7.865 1.00 0.00 WT1 H ATOM 1594 H2 TIP3W4523 9.309 -1.316 7.623 1.00 0.00 WT1 H ATOM 1595 OH2 TIP3W4537 7.619 9.461 -3.753 1.00 0.00 WT1 O ATOM 1596 H1 TIP3W4537 7.079 9.002 -4.402 1.00 0.00 WT1 H ATOM 1597 H2 TIP3W4537 7.571 8.891 -2.929 1.00 0.00 WT1 H ATOM 1598 OH2 TIP3W4553 8.736 11.421 -8.182 1.00 0.00 WT1 O ATOM 1599 H1 TIP3W4553 8.831 10.722 -8.918 1.00 0.00 WT1 H ATOM 1600 H2 TIP3W4553 7.816 11.685 -8.148 1.00 0.00 WT1 H ATOM 1601 OH2 TIP3W4559 2.319 10.159 -7.925 1.00 0.00 WT1 O ATOM 1602 H1 TIP3W4559 2.233 9.434 -7.225 1.00 0.00 WT1 H ATOM 1603 H2 TIP3W4559 2.314 10.950 -7.338 1.00 0.00 WT1 H ATOM 1604 OH2 TIP3W4578 9.418 13.184 -5.936 1.00 0.00 WT1 O ATOM 1605 H1 TIP3W4578 9.266 12.649 -5.124 1.00 0.00 WT1 H ATOM 1606 H2 TIP3W4578 9.361 12.508 -6.646 1.00 0.00 WT1 H ATOM 1607 OH2 TIP3W4582 10.820 4.921 -10.483 1.00 0.00 WT1 O ATOM 1608 H1 TIP3W4582 9.987 5.235 -10.882 1.00 0.00 WT1 H ATOM 1609 H2 TIP3W4582 10.810 3.965 -10.689 1.00 0.00 WT1 H ATOM 1610 OH2 TIP3W4588 12.245 9.672 10.162 1.00 0.00 WT1 O ATOM 1611 H1 TIP3W4588 12.070 9.578 9.176 1.00 0.00 WT1 H ATOM 1612 H2 TIP3W4588 12.837 8.892 10.382 1.00 0.00 WT1 H ATOM 1613 OH2 TIP3W4606 12.291 2.724 10.473 1.00 0.00 WT1 O ATOM 1614 H1 TIP3W4606 11.444 2.677 9.993 1.00 0.00 WT1 H ATOM 1615 H2 TIP3W4606 12.927 2.268 9.904 1.00 0.00 WT1 H ATOM 1616 OH2 TIP3W4625 11.350 10.745 -0.566 1.00 0.00 WT1 O ATOM 1617 H1 TIP3W4625 12.202 10.228 -0.613 1.00 0.00 WT1 H ATOM 1618 H2 TIP3W4625 11.022 10.517 0.311 1.00 0.00 WT1 H ATOM 1619 OH2 TIP3W4626 4.737 9.393 12.234 1.00 0.00 WT1 O ATOM 1620 H1 TIP3W4626 4.790 8.937 13.094 1.00 0.00 WT1 H ATOM 1621 H2 TIP3W4626 5.626 9.733 12.125 1.00 0.00 WT1 H ATOM 1622 OH2 TIP3W4663 12.521 13.229 0.693 1.00 0.00 WT1 O ATOM 1623 H1 TIP3W4663 13.351 13.069 1.173 1.00 0.00 WT1 H ATOM 1624 H2 TIP3W4663 12.583 12.483 0.063 1.00 0.00 WT1 H ATOM 1625 OH2 TIP3W4797 12.084 -6.396 10.020 1.00 0.00 WT1 O ATOM 1626 H1 TIP3W4797 12.375 -5.741 9.400 1.00 0.00 WT1 H ATOM 1627 H2 TIP3W4797 12.866 -6.894 10.289 1.00 0.00 WT1 H ATOM 1628 OH2 TIP3W4798 5.685 -13.138 8.352 1.00 0.00 WT1 O ATOM 1629 H1 TIP3W4798 6.261 -12.505 8.737 1.00 0.00 WT1 H ATOM 1630 H2 TIP3W4798 5.504 -12.701 7.487 1.00 0.00 WT1 H ATOM 1631 OH2 TIP3W4809 1.898 -10.707 -12.352 1.00 0.00 WT1 O ATOM 1632 H1 TIP3W4809 1.837 -10.023 -11.641 1.00 0.00 WT1 H ATOM 1633 H2 TIP3W4809 1.065 -11.204 -12.211 1.00 0.00 WT1 H ATOM 1634 OH2 TIP3W4815 12.942 -11.643 12.825 1.00 0.00 WT1 O ATOM 1635 H1 TIP3W4815 13.237 -11.643 13.694 1.00 0.00 WT1 H ATOM 1636 H2 TIP3W4815 12.453 -10.824 12.797 1.00 0.00 WT1 H ATOM 1637 OH2 TIP3W4835 13.681 -11.533 -7.447 1.00 0.00 WT1 O ATOM 1638 H1 TIP3W4835 13.966 -12.270 -8.010 1.00 0.00 WT1 H ATOM 1639 H2 TIP3W4835 12.680 -11.588 -7.407 1.00 0.00 WT1 H ATOM 1640 OH2 TIP3W4837 6.972 -10.585 8.583 1.00 0.00 WT1 O ATOM 1641 H1 TIP3W4837 7.469 -10.490 9.422 1.00 0.00 WT1 H ATOM 1642 H2 TIP3W4837 6.577 -9.762 8.554 1.00 0.00 WT1 H ATOM 1643 OH2 TIP3W4849 2.508 -4.422 -6.319 1.00 0.00 WT1 O ATOM 1644 H1 TIP3W4849 2.244 -4.962 -7.066 1.00 0.00 WT1 H ATOM 1645 H2 TIP3W4849 3.304 -3.979 -6.484 1.00 0.00 WT1 H ATOM 1646 OH2 TIP3W4856 8.237 -10.532 11.032 1.00 0.00 WT1 O ATOM 1647 H1 TIP3W4856 9.140 -10.678 10.668 1.00 0.00 WT1 H ATOM 1648 H2 TIP3W4856 8.341 -10.158 11.910 1.00 0.00 WT1 H ATOM 1649 OH2 TIP3W4857 6.278 -1.466 3.072 1.00 0.00 WT1 O ATOM 1650 H1 TIP3W4857 5.915 -2.071 2.397 1.00 0.00 WT1 H ATOM 1651 H2 TIP3W4857 7.131 -1.948 3.419 1.00 0.00 WT1 H ATOM 1652 OH2 TIP3W4899 12.984 -6.999 2.580 1.00 0.00 WT1 O ATOM 1653 H1 TIP3W4899 13.702 -7.663 2.758 1.00 0.00 WT1 H ATOM 1654 H2 TIP3W4899 12.454 -6.952 3.404 1.00 0.00 WT1 H ATOM 1655 OH2 TIP3W4916 13.810 -0.090 -9.817 1.00 0.00 WT1 O ATOM 1656 H1 TIP3W4916 12.862 -0.324 -9.942 1.00 0.00 WT1 H ATOM 1657 H2 TIP3W4916 13.831 0.639 -9.195 1.00 0.00 WT1 H ATOM 1658 OH2 TIP3W4937 11.885 -10.784 -10.798 1.00 0.00 WT1 O ATOM 1659 H1 TIP3W4937 11.219 -11.371 -10.331 1.00 0.00 WT1 H ATOM 1660 H2 TIP3W4937 12.368 -10.371 -10.085 1.00 0.00 WT1 H ATOM 1661 OH2 TIP3W4944 12.220 2.135 13.306 1.00 0.00 WT1 O ATOM 1662 H1 TIP3W4944 11.697 2.396 12.557 1.00 0.00 WT1 H ATOM 1663 H2 TIP3W4944 11.783 1.286 13.521 1.00 0.00 WT1 H ATOM 1664 OH2 TIP3W4963 13.297 -2.112 3.711 1.00 0.00 WT1 O ATOM 1665 H1 TIP3W4963 12.465 -1.570 4.018 1.00 0.00 WT1 H ATOM 1666 H2 TIP3W4963 13.970 -1.402 3.696 1.00 0.00 WT1 H ATOM 1667 OH2 TIP3W4978 10.570 6.269 7.544 1.00 0.00 WT1 O ATOM 1668 H1 TIP3W4978 9.726 5.860 7.727 1.00 0.00 WT1 H ATOM 1669 H2 TIP3W4978 10.781 5.925 6.650 1.00 0.00 WT1 H ATOM 1670 OH2 TIP3W4981 6.993 2.537 1.841 1.00 0.00 WT1 O ATOM 1671 H1 TIP3W4981 6.642 1.637 1.556 1.00 0.00 WT1 H ATOM 1672 H2 TIP3W4981 6.414 3.132 1.309 1.00 0.00 WT1 H ATOM 1673 OH2 TIP3W5234 13.070 -11.015 0.712 1.00 0.00 WT1 O ATOM 1674 H1 TIP3W5234 13.044 -10.425 -0.080 1.00 0.00 WT1 H ATOM 1675 H2 TIP3W5234 13.302 -11.929 0.398 1.00 0.00 WT1 H ATOM 1676 OH2 TIP3W5320 3.275 -3.990 4.697 1.00 0.00 WT1 O ATOM 1677 H1 TIP3W5320 3.894 -4.416 4.094 1.00 0.00 WT1 H ATOM 1678 H2 TIP3W5320 2.492 -4.528 4.660 1.00 0.00 WT1 H ATOM 1679 OH2 TIP3W5355 13.127 -13.591 -11.384 1.00 0.00 WT1 O ATOM 1680 H1 TIP3W5355 12.234 -13.768 -11.558 1.00 0.00 WT1 H ATOM 1681 H2 TIP3W5355 13.331 -12.758 -11.819 1.00 0.00 WT1 H ATOM 1682 OH2 TIP3W5356 7.148 -11.212 -9.264 1.00 0.00 WT1 O ATOM 1683 H1 TIP3W5356 7.231 -10.486 -8.719 1.00 0.00 WT1 H ATOM 1684 H2 TIP3W5356 8.035 -11.255 -9.702 1.00 0.00 WT1 H ATOM 1685 OH2 TIP3W5366 10.747 -11.126 9.859 1.00 0.00 WT1 O ATOM 1686 H1 TIP3W5366 11.471 -10.512 9.596 1.00 0.00 WT1 H ATOM 1687 H2 TIP3W5366 11.220 -11.923 10.213 1.00 0.00 WT1 H ATOM 1688 OH2 TIP3W5385 9.796 0.318 1.656 1.00 0.00 WT1 O ATOM 1689 H1 TIP3W5385 10.661 0.033 1.282 1.00 0.00 WT1 H ATOM 1690 H2 TIP3W5385 9.317 -0.505 1.796 1.00 0.00 WT1 H ATOM 1691 OH2 TIP3W5393 10.111 8.000 -7.574 1.00 0.00 WT1 O ATOM 1692 H1 TIP3W5393 9.832 8.636 -6.908 1.00 0.00 WT1 H ATOM 1693 H2 TIP3W5393 9.879 8.428 -8.467 1.00 0.00 WT1 H ATOM 1694 OH2 TIP3W5404 12.690 -0.853 -4.123 1.00 0.00 WT1 O ATOM 1695 H1 TIP3W5404 13.483 -1.422 -3.872 1.00 0.00 WT1 H ATOM 1696 H2 TIP3W5404 12.446 -0.469 -3.181 1.00 0.00 WT1 H ATOM 1697 OH2 TIP3W5418 12.978 10.748 -9.229 1.00 0.00 WT1 O ATOM 1698 H1 TIP3W5418 13.752 11.332 -9.017 1.00 0.00 WT1 H ATOM 1699 H2 TIP3W5418 12.598 11.191 -9.955 1.00 0.00 WT1 H ATOM 1700 OH2 TIP3W5463 10.980 12.576 -2.654 1.00 0.00 WT1 O ATOM 1701 H1 TIP3W5463 11.270 12.086 -1.833 1.00 0.00 WT1 H ATOM 1702 H2 TIP3W5463 10.047 12.280 -2.778 1.00 0.00 WT1 H ATOM 1703 OH2 TIP3W5723 12.919 -9.757 9.224 1.00 0.00 WT1 O ATOM 1704 H1 TIP3W5723 13.546 -9.400 9.905 1.00 0.00 WT1 H ATOM 1705 H2 TIP3W5723 13.492 -9.921 8.426 1.00 0.00 WT1 H ATOM 1706 OH2 TIP3W5782 6.842 -0.430 10.883 1.00 0.00 WT1 O ATOM 1707 H1 TIP3W5782 7.084 0.412 11.335 1.00 0.00 WT1 H ATOM 1708 H2 TIP3W5782 5.980 -0.620 11.201 1.00 0.00 WT1 H ATOM 1709 OH2 TIP3W5827 9.893 2.211 9.211 1.00 0.00 WT1 O ATOM 1710 H1 TIP3W5827 9.768 1.384 8.714 1.00 0.00 WT1 H ATOM 1711 H2 TIP3W5827 9.179 2.773 9.003 1.00 0.00 WT1 H ATOM 1712 OH2 TIP3W5899 8.157 12.309 -3.345 1.00 0.00 WT1 O ATOM 1713 H1 TIP3W5899 8.113 11.340 -3.410 1.00 0.00 WT1 H ATOM 1714 H2 TIP3W5899 7.349 12.567 -3.887 1.00 0.00 WT1 H ATOM 1715 OH2 TIP3W5901 7.701 2.204 -2.187 1.00 0.00 WT1 O ATOM 1716 H1 TIP3W5901 7.240 1.278 -2.322 1.00 0.00 WT1 H ATOM 1717 H2 TIP3W5901 8.146 1.993 -1.398 1.00 0.00 WT1 H ATOM 1718 OH2 TIP3W5913 10.823 9.470 12.798 1.00 0.00 WT1 O ATOM 1719 H1 TIP3W5913 11.330 10.268 12.950 1.00 0.00 WT1 H ATOM 1720 H2 TIP3W5913 11.191 9.224 11.984 1.00 0.00 WT1 H ATOM 1721 OH2 TIP3W6158 9.865 -12.173 -9.336 1.00 0.00 WT1 O ATOM 1722 H1 TIP3W6158 9.526 -13.028 -9.556 1.00 0.00 WT1 H ATOM 1723 H2 TIP3W6158 10.483 -12.343 -8.531 1.00 0.00 WT1 H ATOM 1724 OH2 TIP3W6240 -10.920 -13.051 -2.212 1.00 0.00 WT1 O ATOM 1725 H1 TIP3W6240 -10.310 -13.500 -2.828 1.00 0.00 WT1 H ATOM 1726 H2 TIP3W6240 -11.804 -13.444 -2.359 1.00 0.00 WT1 H ATOM 1727 OH2 TIP3W6325 13.495 6.734 2.059 1.00 0.00 WT1 O ATOM 1728 H1 TIP3W6325 13.618 7.083 2.934 1.00 0.00 WT1 H ATOM 1729 H2 TIP3W6325 12.546 6.766 1.971 1.00 0.00 WT1 H ATOM 1730 OH2 TIP3W6583 11.431 -8.780 12.033 1.00 0.00 WT1 O ATOM 1731 H1 TIP3W6583 11.686 -7.883 11.671 1.00 0.00 WT1 H ATOM 1732 H2 TIP3W6583 11.655 -8.734 12.978 1.00 0.00 WT1 H ATOM 1733 OH2 TIP3W6671 -13.103 -1.187 6.940 1.00 0.00 WT1 O ATOM 1734 H1 TIP3W6671 -12.766 -0.423 7.489 1.00 0.00 WT1 H ATOM 1735 H2 TIP3W6671 -12.890 -1.917 7.442 1.00 0.00 WT1 H ATOM 1736 OH2 TIP3W6684 13.912 -3.027 -9.928 1.00 0.00 WT1 O ATOM 1737 H1 TIP3W6684 12.970 -3.310 -9.925 1.00 0.00 WT1 H ATOM 1738 H2 TIP3W6684 13.786 -2.059 -10.065 1.00 0.00 WT1 H ATOM 1739 OH2 TIP3W6726 4.013 2.612 4.866 1.00 0.00 WT1 O ATOM 1740 H1 TIP3W6726 4.961 2.763 4.870 1.00 0.00 WT1 H ATOM 1741 H2 TIP3W6726 3.903 1.852 4.233 1.00 0.00 WT1 H ATOM 1742 OH2 TIP3W7141 2.298 8.765 0.947 1.00 0.00 WT1 O ATOM 1743 H1 TIP3W7141 2.094 8.020 0.418 1.00 0.00 WT1 H ATOM 1744 H2 TIP3W7141 3.263 8.705 1.027 1.00 0.00 WT1 H ATOM 1745 OH2 TIP3W7222 -7.745 -4.198 -13.636 1.00 0.00 WT1 O ATOM 1746 H1 TIP3W7222 -7.046 -4.879 -13.329 1.00 0.00 WT1 H ATOM 1747 H2 TIP3W7222 -8.541 -4.736 -13.804 1.00 0.00 WT1 H ATOM 1748 OH2 TIP3W7295 -13.149 8.646 12.279 1.00 0.00 WT1 O ATOM 1749 H1 TIP3W7295 -12.913 7.836 11.835 1.00 0.00 WT1 H ATOM 1750 H2 TIP3W7295 -13.759 8.368 12.986 1.00 0.00 WT1 H ATOM 1751 OH2 TIP3W7479 -7.860 -10.331 -10.296 1.00 0.00 WT1 O ATOM 1752 H1 TIP3W7479 -7.268 -10.163 -11.051 1.00 0.00 WT1 H ATOM 1753 H2 TIP3W7479 -7.193 -10.592 -9.622 1.00 0.00 WT1 H ATOM 1754 OH2 TIP3W7510 -8.850 -2.315 -2.006 1.00 0.00 WT1 O ATOM 1755 H1 TIP3W7510 -8.688 -1.359 -1.980 1.00 0.00 WT1 H ATOM 1756 H2 TIP3W7510 -8.386 -2.595 -1.222 1.00 0.00 WT1 H ATOM 1757 OH2 TIP3W7563 -8.804 5.304 1.315 1.00 0.00 WT1 O ATOM 1758 H1 TIP3W7563 -8.773 6.213 0.942 1.00 0.00 WT1 H ATOM 1759 H2 TIP3W7563 -8.748 4.720 0.569 1.00 0.00 WT1 H ATOM 1760 OH2 TIP3W7568 -10.319 -6.656 9.826 1.00 0.00 WT1 O ATOM 1761 H1 TIP3W7568 -10.420 -6.533 10.764 1.00 0.00 WT1 H ATOM 1762 H2 TIP3W7568 -10.369 -5.739 9.500 1.00 0.00 WT1 H ATOM 1763 OH2 TIP3W7605 -7.313 10.853 -3.652 1.00 0.00 WT1 O ATOM 1764 H1 TIP3W7605 -6.412 10.883 -3.271 1.00 0.00 WT1 H ATOM 1765 H2 TIP3W7605 -7.156 10.632 -4.581 1.00 0.00 WT1 H ATOM 1766 OH2 TIP3W7630 -11.821 -0.536 -6.823 1.00 0.00 WT1 O ATOM 1767 H1 TIP3W7630 -11.281 0.061 -6.263 1.00 0.00 WT1 H ATOM 1768 H2 TIP3W7630 -12.360 -0.979 -6.157 1.00 0.00 WT1 H ATOM 1769 OH2 TIP3W7631 -12.074 7.439 3.027 1.00 0.00 WT1 O ATOM 1770 H1 TIP3W7631 -11.328 7.817 2.545 1.00 0.00 WT1 H ATOM 1771 H2 TIP3W7631 -11.602 6.912 3.662 1.00 0.00 WT1 H ATOM 1772 OH2 TIP3W7647 -12.693 11.327 -3.867 1.00 0.00 WT1 O ATOM 1773 H1 TIP3W7647 -11.748 11.463 -3.923 1.00 0.00 WT1 H ATOM 1774 H2 TIP3W7647 -12.878 10.555 -4.528 1.00 0.00 WT1 H ATOM 1775 OH2 TIP3W7650 -9.902 13.516 -9.559 1.00 0.00 WT1 O ATOM 1776 H1 TIP3W7650 -10.131 12.827 -8.935 1.00 0.00 WT1 H ATOM 1777 H2 TIP3W7650 -8.916 13.574 -9.407 1.00 0.00 WT1 H ATOM 1778 OH2 TIP3W7707 -13.312 -11.219 -6.886 1.00 0.00 WT1 O ATOM 1779 H1 TIP3W7707 -12.512 -10.810 -7.297 1.00 0.00 WT1 H ATOM 1780 H2 TIP3W7707 -13.947 -10.571 -7.070 1.00 0.00 WT1 H ATOM 1781 OH2 TIP3W7739 -9.403 9.385 8.279 1.00 0.00 WT1 O ATOM 1782 H1 TIP3W7739 -10.085 9.520 7.604 1.00 0.00 WT1 H ATOM 1783 H2 TIP3W7739 -9.588 10.142 8.857 1.00 0.00 WT1 H ATOM 1784 OH2 TIP3W7945 -4.765 -8.413 9.329 1.00 0.00 WT1 O ATOM 1785 H1 TIP3W7945 -4.542 -7.865 10.099 1.00 0.00 WT1 H ATOM 1786 H2 TIP3W7945 -5.515 -7.869 8.972 1.00 0.00 WT1 H ATOM 1787 OH2 TIP3W7985 -13.551 -6.634 -4.860 1.00 0.00 WT1 O ATOM 1788 H1 TIP3W7985 -13.798 -7.521 -4.905 1.00 0.00 WT1 H ATOM 1789 H2 TIP3W7985 -13.204 -6.437 -5.744 1.00 0.00 WT1 H ATOM 1790 OH2 TIP3W8023 -13.087 -1.680 -13.063 1.00 0.00 WT1 O ATOM 1791 H1 TIP3W8023 -13.377 -2.300 -13.732 1.00 0.00 WT1 H ATOM 1792 H2 TIP3W8023 -12.710 -2.216 -12.372 1.00 0.00 WT1 H ATOM 1793 OH2 TIP3W8024 -9.891 11.989 -3.851 1.00 0.00 WT1 O ATOM 1794 H1 TIP3W8024 -8.997 11.645 -3.650 1.00 0.00 WT1 H ATOM 1795 H2 TIP3W8024 -9.683 12.768 -4.417 1.00 0.00 WT1 H ATOM 1796 OH2 TIP3W8046 -10.770 8.882 -2.264 1.00 0.00 WT1 O ATOM 1797 H1 TIP3W8046 -10.399 7.950 -2.330 1.00 0.00 WT1 H ATOM 1798 H2 TIP3W8046 -11.139 8.992 -3.147 1.00 0.00 WT1 H ATOM 1799 OH2 TIP3W8064 -9.380 8.335 -6.870 1.00 0.00 WT1 O ATOM 1800 H1 TIP3W8064 -10.246 8.591 -6.410 1.00 0.00 WT1 H ATOM 1801 H2 TIP3W8064 -8.822 8.349 -6.093 1.00 0.00 WT1 H ATOM 1802 OH2 TIP3W8068 -12.876 8.962 -0.486 1.00 0.00 WT1 O ATOM 1803 H1 TIP3W8068 -12.163 8.901 -1.140 1.00 0.00 WT1 H ATOM 1804 H2 TIP3W8068 -13.315 9.799 -0.690 1.00 0.00 WT1 H ATOM 1805 OH2 TIP3W8174 -11.237 12.896 -1.696 1.00 0.00 WT1 O ATOM 1806 H1 TIP3W8174 -10.599 12.364 -2.255 1.00 0.00 WT1 H ATOM 1807 H2 TIP3W8174 -11.249 13.725 -2.141 1.00 0.00 WT1 H ATOM 1808 OH2 TIP3W8370 2.012 -9.932 10.241 1.00 0.00 WT1 O ATOM 1809 H1 TIP3W8370 2.621 -10.214 9.521 1.00 0.00 WT1 H ATOM 1810 H2 TIP3W8370 2.555 -9.992 11.013 1.00 0.00 WT1 H ATOM 1811 OH2 TIP3W8403 -9.249 5.009 -11.186 1.00 0.00 WT1 O ATOM 1812 H1 TIP3W8403 -9.246 4.978 -10.240 1.00 0.00 WT1 H ATOM 1813 H2 TIP3W8403 -8.700 4.306 -11.388 1.00 0.00 WT1 H ATOM 1814 OH2 TIP3W8408 -13.409 -9.347 11.328 1.00 0.00 WT1 O ATOM 1815 H1 TIP3W8408 -13.253 -9.507 10.381 1.00 0.00 WT1 H ATOM 1816 H2 TIP3W8408 -12.744 -9.897 11.785 1.00 0.00 WT1 H ATOM 1817 OH2 TIP3W8411 -10.594 -13.883 0.493 1.00 0.00 WT1 O ATOM 1818 H1 TIP3W8411 -10.652 -13.756 -0.454 1.00 0.00 WT1 H ATOM 1819 H2 TIP3W8411 -9.622 -13.810 0.724 1.00 0.00 WT1 H ATOM 1820 OH2 TIP3W8425 -11.722 -10.078 -12.800 1.00 0.00 WT1 O ATOM 1821 H1 TIP3W8425 -11.299 -10.608 -13.440 1.00 0.00 WT1 H ATOM 1822 H2 TIP3W8425 -12.444 -10.594 -12.585 1.00 0.00 WT1 H ATOM 1823 OH2 TIP3W8441 -7.754 7.216 -0.436 1.00 0.00 WT1 O ATOM 1824 H1 TIP3W8441 -6.873 7.533 -0.206 1.00 0.00 WT1 H ATOM 1825 H2 TIP3W8441 -8.198 8.075 -0.545 1.00 0.00 WT1 H ATOM 1826 OH2 TIP3W8448 -13.584 5.402 12.409 1.00 0.00 WT1 O ATOM 1827 H1 TIP3W8448 -12.628 5.712 12.262 1.00 0.00 WT1 H ATOM 1828 H2 TIP3W8448 -13.472 4.539 12.599 1.00 0.00 WT1 H ATOM 1829 OH2 TIP3W8466 -8.652 1.459 -8.012 1.00 0.00 WT1 O ATOM 1830 H1 TIP3W8466 -9.058 2.211 -7.535 1.00 0.00 WT1 H ATOM 1831 H2 TIP3W8466 -9.036 0.679 -7.578 1.00 0.00 WT1 H ATOM 1832 OH2 TIP3W8468 -12.688 -0.423 -0.171 1.00 0.00 WT1 O ATOM 1833 H1 TIP3W8468 -12.406 -0.650 -1.037 1.00 0.00 WT1 H ATOM 1834 H2 TIP3W8468 -13.095 0.443 -0.366 1.00 0.00 WT1 H ATOM 1835 OH2 TIP3W8491 -3.605 7.375 8.397 1.00 0.00 WT1 O ATOM 1836 H1 TIP3W8491 -3.100 6.680 8.794 1.00 0.00 WT1 H ATOM 1837 H2 TIP3W8491 -3.318 8.154 8.828 1.00 0.00 WT1 H ATOM 1838 OH2 TIP3W8528 -7.987 2.085 -10.674 1.00 0.00 WT1 O ATOM 1839 H1 TIP3W8528 -7.984 2.035 -9.708 1.00 0.00 WT1 H ATOM 1840 H2 TIP3W8528 -8.751 1.516 -10.954 1.00 0.00 WT1 H ATOM 1841 OH2 TIP3W8534 -11.816 8.110 -4.500 1.00 0.00 WT1 O ATOM 1842 H1 TIP3W8534 -12.087 7.297 -4.002 1.00 0.00 WT1 H ATOM 1843 H2 TIP3W8534 -12.611 8.233 -5.036 1.00 0.00 WT1 H ATOM 1844 OH2 TIP3W8536 -10.793 -0.021 3.772 1.00 0.00 WT1 O ATOM 1845 H1 TIP3W8536 -10.053 0.082 4.373 1.00 0.00 WT1 H ATOM 1846 H2 TIP3W8536 -11.415 0.685 3.921 1.00 0.00 WT1 H ATOM 1847 OH2 TIP3W8548 -0.361 2.098 -8.731 1.00 0.00 WT1 O ATOM 1848 H1 TIP3W8548 0.099 1.394 -9.128 1.00 0.00 WT1 H ATOM 1849 H2 TIP3W8548 -1.245 1.724 -8.657 1.00 0.00 WT1 H ATOM 1850 OH2 TIP3W8555 -7.816 7.625 10.372 1.00 0.00 WT1 O ATOM 1851 H1 TIP3W8555 -8.369 7.179 9.798 1.00 0.00 WT1 H ATOM 1852 H2 TIP3W8555 -8.042 7.386 11.308 1.00 0.00 WT1 H ATOM 1853 OH2 TIP3W8556 -12.019 2.635 4.663 1.00 0.00 WT1 O ATOM 1854 H1 TIP3W8556 -12.079 3.181 5.529 1.00 0.00 WT1 H ATOM 1855 H2 TIP3W8556 -11.344 3.117 4.156 1.00 0.00 WT1 H ATOM 1856 OH2 TIP3W8558 -11.987 11.789 0.875 1.00 0.00 WT1 O ATOM 1857 H1 TIP3W8558 -12.922 11.523 1.006 1.00 0.00 WT1 H ATOM 1858 H2 TIP3W8558 -11.882 12.044 -0.077 1.00 0.00 WT1 H ATOM 1859 OH2 TIP3W8760 -0.543 6.491 -7.455 1.00 0.00 WT1 O ATOM 1860 H1 TIP3W8760 -0.456 5.713 -7.041 1.00 0.00 WT1 H ATOM 1861 H2 TIP3W8760 -0.801 6.170 -8.399 1.00 0.00 WT1 H ATOM 1862 OH2 TIP3W8780 -10.562 -5.901 -13.684 1.00 0.00 WT1 O ATOM 1863 H1 TIP3W8780 -11.453 -6.153 -13.423 1.00 0.00 WT1 H ATOM 1864 H2 TIP3W8780 -10.111 -6.225 -12.907 1.00 0.00 WT1 H ATOM 1865 OH2 TIP3W8801 -4.984 1.690 -4.515 1.00 0.00 WT1 O ATOM 1866 H1 TIP3W8801 -4.842 0.769 -4.299 1.00 0.00 WT1 H ATOM 1867 H2 TIP3W8801 -5.463 1.554 -5.348 1.00 0.00 WT1 H ATOM 1868 OH2 TIP3W8822 -12.438 -7.464 -1.761 1.00 0.00 WT1 O ATOM 1869 H1 TIP3W8822 -13.040 -6.750 -1.951 1.00 0.00 WT1 H ATOM 1870 H2 TIP3W8822 -12.803 -8.173 -2.447 1.00 0.00 WT1 H ATOM 1871 OH2 TIP3W8829 -12.686 -4.615 -6.827 1.00 0.00 WT1 O ATOM 1872 H1 TIP3W8829 -12.667 -5.294 -7.556 1.00 0.00 WT1 H ATOM 1873 H2 TIP3W8829 -11.944 -4.047 -7.020 1.00 0.00 WT1 H ATOM 1874 OH2 TIP3W8843 -6.428 -13.580 -10.522 1.00 0.00 WT1 O ATOM 1875 H1 TIP3W8843 -6.364 -13.661 -11.497 1.00 0.00 WT1 H ATOM 1876 H2 TIP3W8843 -7.372 -13.766 -10.470 1.00 0.00 WT1 H ATOM 1877 OH2 TIP3W8845 -12.867 -6.920 -8.922 1.00 0.00 WT1 O ATOM 1878 H1 TIP3W8845 -12.799 -6.898 -9.863 1.00 0.00 WT1 H ATOM 1879 H2 TIP3W8845 -13.642 -7.451 -8.698 1.00 0.00 WT1 H ATOM 1880 OH2 TIP3W8848 -3.416 -10.789 13.118 1.00 0.00 WT1 O ATOM 1881 H1 TIP3W8848 -2.820 -10.008 12.914 1.00 0.00 WT1 H ATOM 1882 H2 TIP3W8848 -4.016 -10.742 12.356 1.00 0.00 WT1 H ATOM 1883 OH2 TIP3W8852 -0.754 -4.545 11.397 1.00 0.00 WT1 O ATOM 1884 H1 TIP3W8852 -0.003 -4.112 11.829 1.00 0.00 WT1 H ATOM 1885 H2 TIP3W8852 -0.414 -5.026 10.659 1.00 0.00 WT1 H ATOM 1886 OH2 TIP3W8865 -2.485 8.342 -9.173 1.00 0.00 WT1 O ATOM 1887 H1 TIP3W8865 -3.125 7.911 -9.815 1.00 0.00 WT1 H ATOM 1888 H2 TIP3W8865 -2.795 7.919 -8.306 1.00 0.00 WT1 H ATOM 1889 OH2 TIP3W8869 -8.721 -8.245 -2.543 1.00 0.00 WT1 O ATOM 1890 H1 TIP3W8869 -9.496 -8.667 -3.033 1.00 0.00 WT1 H ATOM 1891 H2 TIP3W8869 -8.436 -9.014 -1.981 1.00 0.00 WT1 H ATOM 1892 OH2 TIP3W8870 -13.092 -1.587 11.925 1.00 0.00 WT1 O ATOM 1893 H1 TIP3W8870 -13.146 -0.699 11.615 1.00 0.00 WT1 H ATOM 1894 H2 TIP3W8870 -13.982 -1.938 11.781 1.00 0.00 WT1 H ATOM 1895 OH2 TIP3W8887 -5.110 7.041 2.070 1.00 0.00 WT1 O ATOM 1896 H1 TIP3W8887 -5.302 7.572 1.300 1.00 0.00 WT1 H ATOM 1897 H2 TIP3W8887 -4.200 7.340 2.244 1.00 0.00 WT1 H ATOM 1898 OH2 TIP3W8895 -8.000 -2.717 8.324 1.00 0.00 WT1 O ATOM 1899 H1 TIP3W8895 -8.134 -1.943 8.939 1.00 0.00 WT1 H ATOM 1900 H2 TIP3W8895 -8.137 -2.366 7.452 1.00 0.00 WT1 H ATOM 1901 OH2 TIP3W8903 2.328 -12.849 -8.215 1.00 0.00 WT1 O ATOM 1902 H1 TIP3W8903 3.092 -13.461 -8.122 1.00 0.00 WT1 H ATOM 1903 H2 TIP3W8903 1.596 -13.365 -7.851 1.00 0.00 WT1 H ATOM 1904 OH2 TIP3W8905 -6.166 0.408 -6.473 1.00 0.00 WT1 O ATOM 1905 H1 TIP3W8905 -6.895 0.717 -7.007 1.00 0.00 WT1 H ATOM 1906 H2 TIP3W8905 -5.806 -0.286 -7.074 1.00 0.00 WT1 H ATOM 1907 OH2 TIP3W8926 -3.781 11.985 -8.833 1.00 0.00 WT1 O ATOM 1908 H1 TIP3W8926 -3.309 11.282 -9.221 1.00 0.00 WT1 H ATOM 1909 H2 TIP3W8926 -3.651 11.758 -7.869 1.00 0.00 WT1 H ATOM 1910 OH2 TIP3W8928 -8.358 -0.559 13.230 1.00 0.00 WT1 O ATOM 1911 H1 TIP3W8928 -8.171 0.385 13.385 1.00 0.00 WT1 H ATOM 1912 H2 TIP3W8928 -7.841 -1.091 13.879 1.00 0.00 WT1 H ATOM 1913 OH2 TIP3W8931 -8.333 -2.188 5.542 1.00 0.00 WT1 O ATOM 1914 H1 TIP3W8931 -8.353 -1.257 5.497 1.00 0.00 WT1 H ATOM 1915 H2 TIP3W8931 -8.111 -2.371 4.618 1.00 0.00 WT1 H ATOM 1916 OH2 TIP3W8935 -13.325 -2.426 -3.048 1.00 0.00 WT1 O ATOM 1917 H1 TIP3W8935 -12.403 -2.454 -3.426 1.00 0.00 WT1 H ATOM 1918 H2 TIP3W8935 -13.735 -1.850 -3.661 1.00 0.00 WT1 H ATOM 1919 OH2 TIP3W8949 -5.218 3.187 -11.638 1.00 0.00 WT1 O ATOM 1920 H1 TIP3W8949 -5.996 2.786 -11.203 1.00 0.00 WT1 H ATOM 1921 H2 TIP3W8949 -4.860 2.422 -12.030 1.00 0.00 WT1 H ATOM 1922 OH2 TIP3W8952 -6.407 -4.504 9.616 1.00 0.00 WT1 O ATOM 1923 H1 TIP3W8952 -5.904 -3.827 10.113 1.00 0.00 WT1 H ATOM 1924 H2 TIP3W8952 -7.032 -3.951 9.068 1.00 0.00 WT1 H ATOM 1925 OH2 TIP3W8956 -11.887 -7.484 7.893 1.00 0.00 WT1 O ATOM 1926 H1 TIP3W8956 -11.830 -8.424 8.160 1.00 0.00 WT1 H ATOM 1927 H2 TIP3W8956 -11.554 -7.051 8.707 1.00 0.00 WT1 H ATOM 1928 OH2 TIP3W8970 4.311 9.380 -1.612 1.00 0.00 WT1 O ATOM 1929 H1 TIP3W8970 4.050 8.472 -1.588 1.00 0.00 WT1 H ATOM 1930 H2 TIP3W8970 4.858 9.546 -0.833 1.00 0.00 WT1 H ATOM 1931 OH2 TIP3W8973 -10.339 11.314 -8.330 1.00 0.00 WT1 O ATOM 1932 H1 TIP3W8973 -9.828 10.871 -9.004 1.00 0.00 WT1 H ATOM 1933 H2 TIP3W8973 -9.952 11.053 -7.531 1.00 0.00 WT1 H ATOM 1934 OH2 TIP3W8976 -5.068 13.387 -5.991 1.00 0.00 WT1 O ATOM 1935 H1 TIP3W8976 -5.791 13.019 -5.389 1.00 0.00 WT1 H ATOM 1936 H2 TIP3W8976 -4.238 12.895 -5.786 1.00 0.00 WT1 H ATOM 1937 OH2 TIP3W8977 -11.417 2.123 -1.954 1.00 0.00 WT1 O ATOM 1938 H1 TIP3W8977 -10.509 2.508 -1.941 1.00 0.00 WT1 H ATOM 1939 H2 TIP3W8977 -11.688 2.312 -1.113 1.00 0.00 WT1 H ATOM 1940 OH2 TIP3W8988 -11.754 6.883 -9.005 1.00 0.00 WT1 O ATOM 1941 H1 TIP3W8988 -12.389 6.097 -9.115 1.00 0.00 WT1 H ATOM 1942 H2 TIP3W8988 -10.921 6.473 -8.805 1.00 0.00 WT1 H ATOM 1943 OH2 TIP3W9082 -5.844 3.564 -2.480 1.00 0.00 WT1 O ATOM 1944 H1 TIP3W9082 -5.645 4.345 -3.079 1.00 0.00 WT1 H ATOM 1945 H2 TIP3W9082 -5.666 2.820 -3.126 1.00 0.00 WT1 H ATOM 1946 OH2 TIP3W9096 -11.085 0.197 -10.607 1.00 0.00 WT1 O ATOM 1947 H1 TIP3W9096 -11.845 0.414 -10.084 1.00 0.00 WT1 H ATOM 1948 H2 TIP3W9096 -11.281 -0.667 -10.989 1.00 0.00 WT1 H ATOM 1949 OH2 TIP3W9165 -6.613 -13.814 12.924 1.00 0.00 WT1 O ATOM 1950 H1 TIP3W9165 -6.998 -13.069 12.433 1.00 0.00 WT1 H ATOM 1951 H2 TIP3W9165 -7.054 -13.750 13.843 1.00 0.00 WT1 H ATOM 1952 OH2 TIP3W9226 -5.422 -13.168 -7.649 1.00 0.00 WT1 O ATOM 1953 H1 TIP3W9226 -6.072 -13.470 -8.307 1.00 0.00 WT1 H ATOM 1954 H2 TIP3W9226 -5.437 -12.199 -7.665 1.00 0.00 WT1 H ATOM 1955 OH2 TIP3W9250 -10.653 -3.513 5.814 1.00 0.00 WT1 O ATOM 1956 H1 TIP3W9250 -11.208 -3.045 5.188 1.00 0.00 WT1 H ATOM 1957 H2 TIP3W9250 -9.736 -3.361 5.456 1.00 0.00 WT1 H END