REMARK FINAL COORDINATES WRITTEN BY NAMD AT TIMESTEP 500 ATOM 1 H5T CYT A 8 43.587 47.868 28.661 1.00 0.00 SBOX ATOM 2 O5' CYT A 8 44.016 48.318 29.392 1.00 0.00 SBOX O ATOM 3 C5' CYT A 8 44.166 49.604 28.837 1.00 0.00 SBOX C ATOM 4 H5' CYT A 8 44.279 50.412 29.559 1.00 0.00 SBOX ATOM 5 H5'' CYT A 8 43.278 49.809 28.240 1.00 0.00 SBOX ATOM 6 C4' CYT A 8 45.402 49.608 27.946 1.00 0.00 SBOX C ATOM 7 H4' CYT A 8 45.227 50.398 27.216 1.00 0.00 SBOX ATOM 8 O4' CYT A 8 46.625 50.039 28.649 1.00 0.00 SBOX O ATOM 9 C1' CYT A 8 47.740 49.460 28.009 1.00 0.00 SBOX C ATOM 10 H1' CYT A 8 48.415 50.271 27.737 1.00 0.00 SBOX ATOM 11 N1 CYT A 8 48.639 48.637 28.830 1.00 0.00 SBOX N ATOM 12 C6 CYT A 8 48.058 47.742 29.592 1.00 0.00 SBOX C ATOM 13 H6 CYT A 8 46.980 47.689 29.640 1.00 0.00 SBOX ATOM 14 C5 CYT A 8 48.876 46.821 30.226 1.00 0.00 SBOX C ATOM 15 H5 CYT A 8 48.530 46.071 30.921 1.00 0.00 SBOX ATOM 16 C4 CYT A 8 50.251 46.991 30.085 1.00 0.00 SBOX C ATOM 17 N4 CYT A 8 51.100 46.133 30.485 1.00 0.00 SBOX N ATOM 18 H41 CYT A 8 52.079 46.377 30.442 1.00 0.00 SBOX ATOM 19 H42 CYT A 8 50.711 45.281 30.862 1.00 0.00 SBOX ATOM 20 N3 CYT A 8 50.842 47.903 29.312 1.00 0.00 SBOX N ATOM 21 C2 CYT A 8 50.023 48.735 28.703 1.00 0.00 SBOX C ATOM 22 O2 CYT A 8 50.550 49.563 27.956 1.00 0.00 SBOX O ATOM 23 C3' CYT A 8 45.756 48.301 27.271 1.00 0.00 SBOX C ATOM 24 H3' CYT A 8 45.815 47.430 27.924 1.00 0.00 SBOX ATOM 25 C2' CYT A 8 47.225 48.566 26.847 1.00 0.00 SBOX C ATOM 26 H2'' CYT A 8 47.836 47.666 26.772 1.00 0.00 SBOX ATOM 27 O2' CYT A 8 47.358 49.390 25.725 1.00 0.00 SBOX O ATOM 28 H2' CYT A 8 46.876 49.070 24.959 1.00 0.00 SBOX ATOM 29 O3' CYT A 8 45.091 47.886 26.110 1.00 0.00 SBOX O ATOM 30 P ADE A 9 43.884 46.859 26.247 1.00 0.00 SBOX P ATOM 31 O1P ADE A 9 44.458 45.501 26.337 1.00 0.00 SBOX ATOM 32 O2P ADE A 9 43.000 47.365 27.281 1.00 0.00 SBOX ATOM 33 O5' ADE A 9 43.079 47.006 24.897 1.00 0.00 SBOX O ATOM 34 C5' ADE A 9 43.635 46.887 23.570 1.00 0.00 SBOX C ATOM 35 H5' ADE A 9 43.871 45.833 23.425 1.00 0.00 SBOX ATOM 36 H5'' ADE A 9 44.591 47.409 23.520 1.00 0.00 SBOX ATOM 37 C4' ADE A 9 42.709 47.339 22.398 1.00 0.00 SBOX C ATOM 38 H4' ADE A 9 43.208 47.192 21.440 1.00 0.00 SBOX ATOM 39 O4' ADE A 9 41.505 46.567 22.336 1.00 0.00 SBOX O ATOM 40 C1' ADE A 9 40.378 47.320 22.675 1.00 0.00 SBOX C ATOM 41 H1' ADE A 9 39.774 47.603 21.813 1.00 0.00 SBOX ATOM 42 N9 ADE A 9 39.592 46.500 23.663 1.00 0.00 SBOX N ATOM 43 C8 ADE A 9 39.071 46.966 24.862 1.00 0.00 SBOX C ATOM 44 H8 ADE A 9 39.250 47.999 25.120 1.00 0.00 SBOX ATOM 45 N7 ADE A 9 38.595 46.046 25.618 1.00 0.00 SBOX N ATOM 46 C5 ADE A 9 38.763 44.879 24.805 1.00 0.00 SBOX C ATOM 47 C6 ADE A 9 38.673 43.441 24.963 1.00 0.00 SBOX C ATOM 48 N6 ADE A 9 38.499 42.793 26.084 1.00 0.00 SBOX N ATOM 49 H61 ADE A 9 38.598 41.791 26.006 1.00 0.00 SBOX ATOM 50 H62 ADE A 9 38.659 43.175 27.005 1.00 0.00 SBOX ATOM 51 N1 ADE A 9 38.817 42.541 23.932 1.00 0.00 SBOX N ATOM 52 C2 ADE A 9 39.318 43.047 22.851 1.00 0.00 SBOX C ATOM 53 H2 ADE A 9 39.397 42.398 21.992 1.00 0.00 SBOX ATOM 54 N3 ADE A 9 39.634 44.348 22.610 1.00 0.00 SBOX N ATOM 55 C4 ADE A 9 39.314 45.172 23.620 1.00 0.00 SBOX C ATOM 56 C3' ADE A 9 42.194 48.780 22.445 1.00 0.00 SBOX C ATOM 57 H3' ADE A 9 42.919 49.389 22.985 1.00 0.00 SBOX ATOM 58 C2' ADE A 9 40.981 48.560 23.330 1.00 0.00 SBOX C ATOM 59 H2'' ADE A 9 41.316 48.326 24.341 1.00 0.00 SBOX ATOM 60 O2' ADE A 9 40.037 49.627 23.312 1.00 0.00 SBOX O ATOM 61 H2' ADE A 9 40.117 50.142 22.506 1.00 0.00 SBOX ATOM 62 O3' ADE A 9 41.926 49.218 21.140 1.00 0.00 SBOX O ATOM 63 P ADE A 10 41.944 50.768 20.639 1.00 0.00 SBOX P ATOM 64 O1P ADE A 10 43.215 51.362 21.109 1.00 0.00 SBOX ATOM 65 O2P ADE A 10 41.591 50.818 19.216 1.00 0.00 SBOX ATOM 66 O5' ADE A 10 40.644 51.376 21.430 1.00 0.00 SBOX O ATOM 67 C5' ADE A 10 39.269 51.294 20.947 1.00 0.00 SBOX C ATOM 68 H5' ADE A 10 39.019 50.236 20.867 1.00 0.00 SBOX ATOM 69 H5'' ADE A 10 39.298 51.749 19.957 1.00 0.00 SBOX ATOM 70 C4' ADE A 10 38.331 52.122 21.786 1.00 0.00 SBOX C ATOM 71 H4' ADE A 10 37.285 51.857 21.635 1.00 0.00 SBOX ATOM 72 O4' ADE A 10 38.523 51.979 23.205 1.00 0.00 SBOX O ATOM 73 C1' ADE A 10 38.512 53.242 23.812 1.00 0.00 SBOX C ATOM 74 H1' ADE A 10 37.668 53.305 24.499 1.00 0.00 SBOX ATOM 75 N9 ADE A 10 39.832 53.547 24.387 1.00 0.00 SBOX N ATOM 76 C8 ADE A 10 41.021 52.858 24.318 1.00 0.00 SBOX C ATOM 77 H8 ADE A 10 41.076 51.908 23.807 1.00 0.00 SBOX ATOM 78 N7 ADE A 10 41.980 53.380 25.077 1.00 0.00 SBOX N ATOM 79 C5 ADE A 10 41.428 54.561 25.568 1.00 0.00 SBOX C ATOM 80 C6 ADE A 10 41.741 55.635 26.455 1.00 0.00 SBOX C ATOM 81 N6 ADE A 10 42.847 55.709 27.154 1.00 0.00 SBOX N ATOM 82 H61 ADE A 10 43.025 56.597 27.601 1.00 0.00 SBOX ATOM 83 H62 ADE A 10 43.550 54.989 27.064 1.00 0.00 SBOX ATOM 84 N1 ADE A 10 40.973 56.702 26.641 1.00 0.00 SBOX N ATOM 85 C2 ADE A 10 39.778 56.675 26.084 1.00 0.00 SBOX C ATOM 86 H2 ADE A 10 39.102 57.513 26.170 1.00 0.00 SBOX ATOM 87 N3 ADE A 10 39.272 55.705 25.358 1.00 0.00 SBOX N ATOM 88 C4 ADE A 10 40.101 54.646 25.132 1.00 0.00 SBOX C ATOM 89 C3' ADE A 10 38.594 53.549 21.423 1.00 0.00 SBOX C ATOM 90 H3' ADE A 10 39.644 53.827 21.329 1.00 0.00 SBOX ATOM 91 C2' ADE A 10 38.171 54.231 22.714 1.00 0.00 SBOX C ATOM 92 H2'' ADE A 10 38.735 55.147 22.891 1.00 0.00 SBOX ATOM 93 O2' ADE A 10 36.740 54.470 22.903 1.00 0.00 SBOX O ATOM 94 H2' ADE A 10 36.873 55.322 23.325 1.00 0.00 SBOX ATOM 95 O3' ADE A 10 37.685 54.000 20.351 1.00 0.00 SBOX O ATOM 96 P GUA A 11 38.137 55.099 19.385 1.00 0.00 SBOX P ATOM 97 O1P GUA A 11 39.442 54.749 18.797 1.00 0.00 SBOX ATOM 98 O2P GUA A 11 37.032 55.373 18.404 1.00 0.00 SBOX ATOM 99 O5' GUA A 11 38.365 56.424 20.320 1.00 0.00 SBOX O ATOM 100 C5' GUA A 11 37.386 57.379 20.824 1.00 0.00 SBOX C ATOM 101 H5' GUA A 11 36.712 56.895 21.531 1.00 0.00 SBOX ATOM 102 H5'' GUA A 11 36.892 57.623 19.884 1.00 0.00 SBOX ATOM 103 C4' GUA A 11 38.200 58.522 21.535 1.00 0.00 SBOX C ATOM 104 H4' GUA A 11 37.453 59.209 21.930 1.00 0.00 SBOX ATOM 105 O4' GUA A 11 38.827 58.070 22.675 1.00 0.00 SBOX O ATOM 106 C1' GUA A 11 40.125 58.658 22.799 1.00 0.00 SBOX C ATOM 107 H1' GUA A 11 40.235 59.182 23.749 1.00 0.00 SBOX ATOM 108 N9 GUA A 11 41.277 57.775 22.819 1.00 0.00 SBOX N ATOM 109 C8 GUA A 11 41.280 56.483 22.271 1.00 0.00 SBOX C ATOM 110 H8 GUA A 11 40.501 56.196 21.581 1.00 0.00 SBOX ATOM 111 N7 GUA A 11 42.350 55.808 22.450 1.00 0.00 SBOX N ATOM 112 C5 GUA A 11 43.166 56.613 23.282 1.00 0.00 SBOX C ATOM 113 C6 GUA A 11 44.485 56.490 23.959 1.00 0.00 SBOX C ATOM 114 O6 GUA A 11 45.188 55.455 24.026 1.00 0.00 SBOX O ATOM 115 N1 GUA A 11 44.875 57.597 24.680 1.00 0.00 SBOX N ATOM 116 H1 GUA A 11 45.824 57.577 25.024 1.00 0.00 SBOX ATOM 117 C2 GUA A 11 44.110 58.698 24.856 1.00 0.00 SBOX C ATOM 118 N2 GUA A 11 44.631 59.550 25.654 1.00 0.00 SBOX N ATOM 119 H21 GUA A 11 45.441 59.326 26.215 1.00 0.00 SBOX ATOM 120 H22 GUA A 11 44.174 60.448 25.721 1.00 0.00 SBOX ATOM 121 N3 GUA A 11 42.945 58.907 24.259 1.00 0.00 SBOX N ATOM 122 C4 GUA A 11 42.475 57.821 23.517 1.00 0.00 SBOX C ATOM 123 C3' GUA A 11 39.157 59.194 20.554 1.00 0.00 SBOX C ATOM 124 H3' GUA A 11 39.676 58.429 19.978 1.00 0.00 SBOX ATOM 125 C2' GUA A 11 40.192 59.721 21.581 1.00 0.00 SBOX C ATOM 126 H2'' GUA A 11 41.128 59.830 21.033 1.00 0.00 SBOX ATOM 127 O2' GUA A 11 39.848 61.042 22.084 1.00 0.00 SBOX O ATOM 128 H2' GUA A 11 40.597 61.501 22.471 1.00 0.00 SBOX ATOM 129 O3' GUA A 11 38.651 60.200 19.699 1.00 0.00 SBOX O ATOM 130 P ADE A 12 39.185 60.403 18.199 1.00 0.00 SBOX P ATOM 131 O1P ADE A 12 39.602 59.082 17.723 1.00 0.00 SBOX ATOM 132 O2P ADE A 12 38.175 61.173 17.377 1.00 0.00 SBOX ATOM 133 O5' ADE A 12 40.504 61.335 18.436 1.00 0.00 SBOX O ATOM 134 C5' ADE A 12 40.387 62.633 19.012 1.00 0.00 SBOX C ATOM 135 H5' ADE A 12 39.879 62.669 19.976 1.00 0.00 SBOX ATOM 136 H5'' ADE A 12 39.782 63.287 18.384 1.00 0.00 SBOX ATOM 137 C4' ADE A 12 41.715 63.432 19.306 1.00 0.00 SBOX C ATOM 138 H4' ADE A 12 41.416 64.429 19.627 1.00 0.00 SBOX ATOM 139 O4' ADE A 12 42.311 62.863 20.452 1.00 0.00 SBOX O ATOM 140 C1' ADE A 12 43.703 62.878 20.265 1.00 0.00 SBOX C ATOM 141 H1' ADE A 12 44.267 63.361 21.064 1.00 0.00 SBOX ATOM 142 N9 ADE A 12 44.059 61.422 20.254 1.00 0.00 SBOX N ATOM 143 C8 ADE A 12 44.038 60.392 19.266 1.00 0.00 SBOX C ATOM 144 H8 ADE A 12 43.647 60.549 18.272 1.00 0.00 SBOX ATOM 145 N7 ADE A 12 44.602 59.252 19.637 1.00 0.00 SBOX N ATOM 146 C5 ADE A 12 45.067 59.532 20.917 1.00 0.00 SBOX C ATOM 147 C6 ADE A 12 45.898 58.841 21.873 1.00 0.00 SBOX C ATOM 148 N6 ADE A 12 46.483 57.653 21.802 1.00 0.00 SBOX N ATOM 149 H61 ADE A 12 47.249 57.495 22.442 1.00 0.00 SBOX ATOM 150 H62 ADE A 12 46.281 57.053 21.015 1.00 0.00 SBOX ATOM 151 N1 ADE A 12 46.392 59.446 22.935 1.00 0.00 SBOX N ATOM 152 C2 ADE A 12 45.998 60.713 23.135 1.00 0.00 SBOX C ATOM 153 H2 ADE A 12 46.269 61.271 24.018 1.00 0.00 SBOX ATOM 154 N3 ADE A 12 45.203 61.451 22.385 1.00 0.00 SBOX N ATOM 155 C4 ADE A 12 44.803 60.823 21.284 1.00 0.00 SBOX C ATOM 156 C3' ADE A 12 42.787 63.446 18.146 1.00 0.00 SBOX C ATOM 157 H3' ADE A 12 42.766 62.517 17.575 1.00 0.00 SBOX ATOM 158 C2' ADE A 12 44.155 63.523 18.942 1.00 0.00 SBOX C ATOM 159 H2'' ADE A 12 44.949 63.011 18.399 1.00 0.00 SBOX ATOM 160 O2' ADE A 12 44.591 64.796 19.241 1.00 0.00 SBOX O ATOM 161 H2' ADE A 12 45.525 64.852 19.457 1.00 0.00 SBOX ATOM 162 O3' ADE A 12 42.576 64.570 17.311 1.00 0.00 SBOX O ATOM 163 P GUA A 13 41.532 64.589 16.122 1.00 0.00 SBOX P ATOM 164 O1P GUA A 13 41.769 63.323 15.385 1.00 0.00 SBOX ATOM 165 O2P GUA A 13 40.134 64.721 16.573 1.00 0.00 SBOX ATOM 166 O5' GUA A 13 41.803 65.705 15.073 1.00 0.00 SBOX O ATOM 167 C5' GUA A 13 42.955 65.569 14.162 1.00 0.00 SBOX C ATOM 168 H5' GUA A 13 42.676 65.110 13.214 1.00 0.00 SBOX ATOM 169 H5'' GUA A 13 43.618 64.844 14.634 1.00 0.00 SBOX ATOM 170 C4' GUA A 13 43.597 66.952 13.898 1.00 0.00 SBOX C ATOM 171 H4' GUA A 13 42.805 67.681 13.728 1.00 0.00 SBOX ATOM 172 O4' GUA A 13 44.211 67.330 15.080 1.00 0.00 SBOX O ATOM 173 C1' GUA A 13 45.290 68.164 14.751 1.00 0.00 SBOX C ATOM 174 H1' GUA A 13 45.091 69.204 15.010 1.00 0.00 SBOX ATOM 175 N9 GUA A 13 46.511 67.747 15.485 1.00 0.00 SBOX N ATOM 176 C8 GUA A 13 46.808 66.515 15.994 1.00 0.00 SBOX C ATOM 177 H8 GUA A 13 46.175 65.665 15.785 1.00 0.00 SBOX ATOM 178 N7 GUA A 13 47.914 66.470 16.679 1.00 0.00 SBOX N ATOM 179 C5 GUA A 13 48.361 67.816 16.659 1.00 0.00 SBOX C ATOM 180 C6 GUA A 13 49.436 68.469 17.335 1.00 0.00 SBOX C ATOM 181 O6 GUA A 13 50.416 67.987 17.917 1.00 0.00 SBOX O ATOM 182 N1 GUA A 13 49.336 69.816 17.270 1.00 0.00 SBOX N ATOM 183 H1 GUA A 13 50.042 70.256 17.843 1.00 0.00 SBOX ATOM 184 C2 GUA A 13 48.444 70.416 16.548 1.00 0.00 SBOX C ATOM 185 N2 GUA A 13 48.555 71.683 16.497 1.00 0.00 SBOX N ATOM 186 H21 GUA A 13 49.344 72.064 17.000 1.00 0.00 SBOX ATOM 187 H22 GUA A 13 47.870 72.154 15.924 1.00 0.00 SBOX ATOM 188 N3 GUA A 13 47.428 69.865 15.911 1.00 0.00 SBOX N ATOM 189 C4 GUA A 13 47.448 68.588 16.014 1.00 0.00 SBOX C ATOM 190 C3' GUA A 13 44.669 66.946 12.781 1.00 0.00 SBOX C ATOM 191 H3' GUA A 13 45.303 66.065 12.878 1.00 0.00 SBOX ATOM 192 C2' GUA A 13 45.500 68.160 13.241 1.00 0.00 SBOX C ATOM 193 H2'' GUA A 13 46.536 68.098 12.907 1.00 0.00 SBOX ATOM 194 O2' GUA A 13 44.847 69.360 12.836 1.00 0.00 SBOX O ATOM 195 H2' GUA A 13 45.163 69.478 11.937 1.00 0.00 SBOX ATOM 196 O3' GUA A 13 44.247 67.232 11.460 1.00 0.00 SBOX O ATOM 197 P ADE A 14 43.759 66.186 10.405 1.00 0.00 SBOX P ATOM 198 O1P ADE A 14 44.563 64.977 10.549 1.00 0.00 SBOX ATOM 199 O2P ADE A 14 42.285 66.065 10.555 1.00 0.00 SBOX ATOM 200 O5' ADE A 14 44.083 66.745 8.964 1.00 0.00 SBOX O ATOM 201 C5' ADE A 14 45.362 66.896 8.551 1.00 0.00 SBOX C ATOM 202 H5' ADE A 14 45.740 65.954 8.155 1.00 0.00 SBOX ATOM 203 H5'' ADE A 14 45.985 67.145 9.410 1.00 0.00 SBOX ATOM 204 C4' ADE A 14 45.480 68.080 7.480 1.00 0.00 SBOX C ATOM 205 H4' ADE A 14 46.526 68.375 7.559 1.00 0.00 SBOX ATOM 206 O4' ADE A 14 45.412 67.616 6.105 1.00 0.00 SBOX O ATOM 207 C1' ADE A 14 44.258 68.185 5.542 1.00 0.00 SBOX C ATOM 208 H1' ADE A 14 44.614 68.488 4.558 1.00 0.00 SBOX ATOM 209 N9 ADE A 14 43.236 67.137 5.364 1.00 0.00 SBOX N ATOM 210 C8 ADE A 14 43.371 65.859 5.920 1.00 0.00 SBOX C ATOM 211 H8 ADE A 14 44.148 65.533 6.596 1.00 0.00 SBOX ATOM 212 N7 ADE A 14 42.380 65.074 5.534 1.00 0.00 SBOX N ATOM 213 C5 ADE A 14 41.631 65.953 4.702 1.00 0.00 SBOX C ATOM 214 C6 ADE A 14 40.409 65.872 4.072 1.00 0.00 SBOX C ATOM 215 N6 ADE A 14 39.563 64.838 4.221 1.00 0.00 SBOX N ATOM 216 H61 ADE A 14 38.707 64.871 3.687 1.00 0.00 SBOX ATOM 217 H62 ADE A 14 39.623 64.230 5.026 1.00 0.00 SBOX ATOM 218 N1 ADE A 14 39.939 66.826 3.162 1.00 0.00 SBOX N ATOM 219 C2 ADE A 14 40.703 67.819 2.965 1.00 0.00 SBOX C ATOM 220 H2 ADE A 14 40.238 68.589 2.368 1.00 0.00 SBOX ATOM 221 N3 ADE A 14 41.832 68.116 3.629 1.00 0.00 SBOX N ATOM 222 C4 ADE A 14 42.223 67.120 4.457 1.00 0.00 SBOX C ATOM 223 C3' ADE A 14 44.595 69.339 7.708 1.00 0.00 SBOX C ATOM 224 H3' ADE A 14 43.912 69.312 8.556 1.00 0.00 SBOX ATOM 225 C2' ADE A 14 43.820 69.373 6.387 1.00 0.00 SBOX C ATOM 226 H2'' ADE A 14 42.753 69.272 6.584 1.00 0.00 SBOX ATOM 227 O2' ADE A 14 44.003 70.514 5.472 1.00 0.00 SBOX O ATOM 228 H2' ADE A 14 44.945 70.405 5.321 1.00 0.00 SBOX ATOM 229 O3' ADE A 14 45.467 70.492 7.842 1.00 0.00 SBOX O ATOM 230 P GUA A 15 46.077 70.780 9.219 1.00 0.00 SBOX P ATOM 231 O1P GUA A 15 45.067 70.588 10.293 1.00 0.00 SBOX ATOM 232 O2P GUA A 15 47.201 69.862 9.325 1.00 0.00 SBOX ATOM 233 O5' GUA A 15 46.602 72.281 9.223 1.00 0.00 SBOX O ATOM 234 C5' GUA A 15 47.991 72.683 9.296 1.00 0.00 SBOX C ATOM 235 H5' GUA A 15 48.220 72.663 8.230 1.00 0.00 SBOX ATOM 236 H5'' GUA A 15 48.574 71.884 9.753 1.00 0.00 SBOX ATOM 237 C4' GUA A 15 48.206 74.118 9.906 1.00 0.00 SBOX C ATOM 238 H4' GUA A 15 47.650 74.881 9.361 1.00 0.00 SBOX ATOM 239 O4' GUA A 15 47.887 74.130 11.324 1.00 0.00 SBOX O ATOM 240 C1' GUA A 15 49.016 74.399 12.232 1.00 0.00 SBOX C ATOM 241 H1' GUA A 15 48.752 75.042 13.072 1.00 0.00 SBOX ATOM 242 N9 GUA A 15 49.536 73.123 12.732 1.00 0.00 SBOX N ATOM 243 C8 GUA A 15 49.198 71.799 12.464 1.00 0.00 SBOX C ATOM 244 H8 GUA A 15 48.458 71.487 11.742 1.00 0.00 SBOX ATOM 245 N7 GUA A 15 49.827 70.957 13.242 1.00 0.00 SBOX N ATOM 246 C5 GUA A 15 50.635 71.750 14.042 1.00 0.00 SBOX C ATOM 247 C6 GUA A 15 51.627 71.409 14.997 1.00 0.00 SBOX C ATOM 248 O6 GUA A 15 52.000 70.341 15.516 1.00 0.00 SBOX O ATOM 249 N1 GUA A 15 52.360 72.450 15.332 1.00 0.00 SBOX N ATOM 250 H1 GUA A 15 53.142 72.223 15.930 1.00 0.00 SBOX ATOM 251 C2 GUA A 15 52.067 73.738 15.058 1.00 0.00 SBOX C ATOM 252 N2 GUA A 15 52.653 74.731 15.710 1.00 0.00 SBOX N ATOM 253 H21 GUA A 15 53.437 74.587 16.330 1.00 0.00 SBOX ATOM 254 H22 GUA A 15 52.399 75.634 15.335 1.00 0.00 SBOX ATOM 255 N3 GUA A 15 51.144 74.154 14.246 1.00 0.00 SBOX N ATOM 256 C4 GUA A 15 50.466 73.074 13.727 1.00 0.00 SBOX C ATOM 257 C3' GUA A 15 49.670 74.433 9.909 1.00 0.00 SBOX C ATOM 258 H3' GUA A 15 50.237 73.515 9.755 1.00 0.00 SBOX ATOM 259 C2' GUA A 15 49.967 75.089 11.284 1.00 0.00 SBOX C ATOM 260 H2'' GUA A 15 51.039 75.059 11.478 1.00 0.00 SBOX ATOM 261 O2' GUA A 15 49.542 76.448 11.253 1.00 0.00 SBOX O ATOM 262 H2' GUA A 15 49.276 76.731 12.130 1.00 0.00 SBOX ATOM 263 O3' GUA A 15 50.033 75.242 8.816 1.00 0.00 SBOX O ATOM 264 P GUA A 16 51.532 75.352 8.205 1.00 0.00 SBOX P ATOM 265 O1P GUA A 16 52.084 73.973 8.066 1.00 0.00 SBOX ATOM 266 O2P GUA A 16 51.331 76.133 6.927 1.00 0.00 SBOX ATOM 267 O5' GUA A 16 52.370 76.232 9.266 1.00 0.00 SBOX O ATOM 268 C5' GUA A 16 53.770 76.503 9.141 1.00 0.00 SBOX C ATOM 269 H5' GUA A 16 54.018 76.787 8.118 1.00 0.00 SBOX ATOM 270 H5'' GUA A 16 54.223 75.536 9.360 1.00 0.00 SBOX ATOM 271 C4' GUA A 16 54.331 77.500 10.156 1.00 0.00 SBOX C ATOM 272 H4' GUA A 16 54.137 78.516 9.812 1.00 0.00 SBOX ATOM 273 O4' GUA A 16 53.806 77.224 11.440 1.00 0.00 SBOX O ATOM 274 C1' GUA A 16 54.711 76.701 12.315 1.00 0.00 SBOX C ATOM 275 H1' GUA A 16 54.459 77.057 13.314 1.00 0.00 SBOX ATOM 276 N9 GUA A 16 54.789 75.276 12.375 1.00 0.00 SBOX N ATOM 277 C8 GUA A 16 53.934 74.366 11.836 1.00 0.00 SBOX C ATOM 278 H8 GUA A 16 53.208 74.718 11.118 1.00 0.00 SBOX ATOM 279 N7 GUA A 16 54.177 73.169 12.181 1.00 0.00 SBOX N ATOM 280 C5 GUA A 16 55.210 73.295 13.185 1.00 0.00 SBOX C ATOM 281 C6 GUA A 16 55.832 72.383 14.087 1.00 0.00 SBOX C ATOM 282 O6 GUA A 16 55.660 71.211 14.299 1.00 0.00 SBOX O ATOM 283 N1 GUA A 16 56.831 72.858 14.879 1.00 0.00 SBOX N ATOM 284 H1 GUA A 16 57.443 72.281 15.439 1.00 0.00 SBOX ATOM 285 C2 GUA A 16 57.066 74.136 14.960 1.00 0.00 SBOX C ATOM 286 N2 GUA A 16 58.100 74.390 15.679 1.00 0.00 SBOX N ATOM 287 H21 GUA A 16 58.647 73.644 16.083 1.00 0.00 SBOX ATOM 288 H22 GUA A 16 58.436 75.342 15.713 1.00 0.00 SBOX ATOM 289 N3 GUA A 16 56.499 75.036 14.151 1.00 0.00 SBOX N ATOM 290 C4 GUA A 16 55.551 74.588 13.319 1.00 0.00 SBOX C ATOM 291 C3' GUA A 16 55.805 77.488 10.310 1.00 0.00 SBOX C ATOM 292 H3' GUA A 16 56.117 76.524 9.908 1.00 0.00 SBOX ATOM 293 C2' GUA A 16 56.037 77.462 11.850 1.00 0.00 SBOX C ATOM 294 H2'' GUA A 16 56.915 76.888 12.148 1.00 0.00 SBOX ATOM 295 O2' GUA A 16 55.968 78.738 12.464 1.00 0.00 SBOX O ATOM 296 H2' GUA A 16 56.436 78.780 13.302 1.00 0.00 SBOX ATOM 297 O3' GUA A 16 56.462 78.663 9.844 1.00 0.00 SBOX O ATOM 298 P URA A 17 57.782 78.663 8.951 1.00 0.00 SBOX P ATOM 299 O1P URA A 17 57.405 77.919 7.693 1.00 0.00 SBOX ATOM 300 O2P URA A 17 58.214 80.083 8.936 1.00 0.00 SBOX ATOM 301 O5' URA A 17 58.887 77.772 9.797 1.00 0.00 SBOX O ATOM 302 C5' URA A 17 59.619 78.372 10.820 1.00 0.00 SBOX C ATOM 303 H5' URA A 17 58.914 78.935 11.432 1.00 0.00 SBOX ATOM 304 H5'' URA A 17 60.202 79.198 10.413 1.00 0.00 SBOX ATOM 305 C4' URA A 17 60.361 77.413 11.717 1.00 0.00 SBOX C ATOM 306 H4' URA A 17 60.867 77.886 12.559 1.00 0.00 SBOX ATOM 307 O4' URA A 17 59.464 76.558 12.313 1.00 0.00 SBOX O ATOM 308 C1' URA A 17 60.145 75.370 12.709 1.00 0.00 SBOX C ATOM 309 H1' URA A 17 60.127 75.293 13.796 1.00 0.00 SBOX ATOM 310 N1 URA A 17 59.394 74.217 12.181 1.00 0.00 SBOX N ATOM 311 C6 URA A 17 58.543 74.211 11.114 1.00 0.00 SBOX C ATOM 312 H6 URA A 17 58.299 75.157 10.655 1.00 0.00 SBOX ATOM 313 C5 URA A 17 57.840 73.071 10.854 1.00 0.00 SBOX C ATOM 314 H5 URA A 17 57.025 73.034 10.146 1.00 0.00 SBOX ATOM 315 C4 URA A 17 58.071 71.843 11.485 1.00 0.00 SBOX C ATOM 316 O4 URA A 17 57.452 70.798 11.302 1.00 0.00 SBOX O ATOM 317 N3 URA A 17 59.134 71.913 12.294 1.00 0.00 SBOX N ATOM 318 H3 URA A 17 59.245 71.060 12.823 1.00 0.00 SBOX ATOM 319 C2 URA A 17 59.750 73.023 12.745 1.00 0.00 SBOX C ATOM 320 O2 URA A 17 60.574 73.012 13.700 1.00 0.00 SBOX O ATOM 321 C3' URA A 17 61.383 76.496 10.998 1.00 0.00 SBOX C ATOM 322 H3' URA A 17 60.889 75.982 10.173 1.00 0.00 SBOX ATOM 323 C2' URA A 17 61.606 75.491 12.205 1.00 0.00 SBOX C ATOM 324 H2'' URA A 17 61.762 74.457 11.898 1.00 0.00 SBOX ATOM 325 O2' URA A 17 62.393 75.916 13.281 1.00 0.00 SBOX O ATOM 326 H2' URA A 17 62.598 75.127 13.789 1.00 0.00 SBOX ATOM 327 O3' URA A 17 62.591 77.005 10.572 1.00 0.00 SBOX O ATOM 328 P GUA A 18 63.330 76.435 9.366 1.00 0.00 SBOX P ATOM 329 O1P GUA A 18 62.304 76.436 8.260 1.00 0.00 SBOX ATOM 330 O2P GUA A 18 64.576 77.171 9.153 1.00 0.00 SBOX ATOM 331 O5' GUA A 18 63.698 74.925 9.656 1.00 0.00 SBOX O ATOM 332 C5' GUA A 18 64.582 74.555 10.733 1.00 0.00 SBOX C ATOM 333 H5' GUA A 18 64.122 74.962 11.634 1.00 0.00 SBOX ATOM 334 H5'' GUA A 18 65.591 74.956 10.641 1.00 0.00 SBOX ATOM 335 C4' GUA A 18 64.648 73.017 10.775 1.00 0.00 SBOX C ATOM 336 H4' GUA A 18 65.463 72.708 11.429 1.00 0.00 SBOX ATOM 337 O4' GUA A 18 63.366 72.533 11.327 1.00 0.00 SBOX O ATOM 338 C1' GUA A 18 62.986 71.279 10.711 1.00 0.00 SBOX C ATOM 339 H1' GUA A 18 62.808 70.543 11.494 1.00 0.00 SBOX ATOM 340 N9 GUA A 18 61.742 71.539 9.862 1.00 0.00 SBOX N ATOM 341 C8 GUA A 18 61.347 72.648 9.163 1.00 0.00 SBOX C ATOM 342 H8 GUA A 18 61.826 73.615 9.209 1.00 0.00 SBOX ATOM 343 N7 GUA A 18 60.280 72.508 8.441 1.00 0.00 SBOX N ATOM 344 C5 GUA A 18 59.843 71.213 8.804 1.00 0.00 SBOX C ATOM 345 C6 GUA A 18 58.763 70.366 8.424 1.00 0.00 SBOX C ATOM 346 O6 GUA A 18 57.793 70.632 7.727 1.00 0.00 SBOX O ATOM 347 N1 GUA A 18 58.811 69.102 8.808 1.00 0.00 SBOX N ATOM 348 H1 GUA A 18 58.122 68.489 8.396 1.00 0.00 SBOX ATOM 349 C2 GUA A 18 59.731 68.685 9.701 1.00 0.00 SBOX C ATOM 350 N2 GUA A 18 59.653 67.461 10.055 1.00 0.00 SBOX N ATOM 351 H21 GUA A 18 58.947 66.808 9.747 1.00 0.00 SBOX ATOM 352 H22 GUA A 18 60.244 66.949 10.695 1.00 0.00 SBOX ATOM 353 N3 GUA A 18 60.798 69.363 10.122 1.00 0.00 SBOX N ATOM 354 C4 GUA A 18 60.743 70.626 9.620 1.00 0.00 SBOX C ATOM 355 C3' GUA A 18 64.939 72.119 9.507 1.00 0.00 SBOX C ATOM 356 H3' GUA A 18 64.448 72.525 8.623 1.00 0.00 SBOX ATOM 357 C2' GUA A 18 64.230 70.843 9.857 1.00 0.00 SBOX C ATOM 358 H2'' GUA A 18 63.776 70.502 8.927 1.00 0.00 SBOX ATOM 359 O2' GUA A 18 65.038 69.950 10.596 1.00 0.00 SBOX O ATOM 360 H2' GUA A 18 65.653 69.588 9.954 1.00 0.00 SBOX ATOM 361 O3' GUA A 18 66.338 71.760 9.337 1.00 0.00 SBOX O ATOM 362 P GUA A 19 67.324 72.466 8.322 1.00 0.00 SBOX P ATOM 363 O1P GUA A 19 66.516 72.741 7.146 1.00 0.00 SBOX ATOM 364 O2P GUA A 19 67.936 73.655 8.988 1.00 0.00 SBOX ATOM 365 O5' GUA A 19 68.465 71.390 7.915 1.00 0.00 SBOX O ATOM 366 C5' GUA A 19 68.271 70.256 7.150 1.00 0.00 SBOX C ATOM 367 H5' GUA A 19 69.150 69.635 6.982 1.00 0.00 SBOX ATOM 368 H5'' GUA A 19 67.920 70.572 6.167 1.00 0.00 SBOX ATOM 369 C4' GUA A 19 67.415 69.082 7.574 1.00 0.00 SBOX C ATOM 370 H4' GUA A 19 68.019 68.601 8.343 1.00 0.00 SBOX ATOM 371 O4' GUA A 19 66.158 69.348 8.087 1.00 0.00 SBOX O ATOM 372 C1' GUA A 19 65.227 68.398 7.578 1.00 0.00 SBOX C ATOM 373 H1' GUA A 19 64.744 67.886 8.410 1.00 0.00 SBOX ATOM 374 N9 GUA A 19 64.223 69.126 6.774 1.00 0.00 SBOX N ATOM 375 C8 GUA A 19 64.575 70.220 5.973 1.00 0.00 SBOX C ATOM 376 H8 GUA A 19 65.588 70.594 5.941 1.00 0.00 SBOX ATOM 377 N7 GUA A 19 63.534 70.723 5.306 1.00 0.00 SBOX N ATOM 378 C5 GUA A 19 62.436 69.897 5.705 1.00 0.00 SBOX C ATOM 379 C6 GUA A 19 61.058 69.853 5.270 1.00 0.00 SBOX C ATOM 380 O6 GUA A 19 60.465 70.627 4.568 1.00 0.00 SBOX O ATOM 381 N1 GUA A 19 60.362 68.779 5.768 1.00 0.00 SBOX N ATOM 382 H1 GUA A 19 59.423 68.590 5.447 1.00 0.00 SBOX ATOM 383 C2 GUA A 19 60.924 67.846 6.517 1.00 0.00 SBOX C ATOM 384 N2 GUA A 19 60.206 66.855 6.841 1.00 0.00 SBOX N ATOM 385 H21 GUA A 19 59.199 66.916 6.890 1.00 0.00 SBOX ATOM 386 H22 GUA A 19 60.647 66.048 7.259 1.00 0.00 SBOX ATOM 387 N3 GUA A 19 62.239 67.794 6.934 1.00 0.00 SBOX N ATOM 388 C4 GUA A 19 62.880 68.933 6.555 1.00 0.00 SBOX C ATOM 389 C3' GUA A 19 67.304 68.079 6.403 1.00 0.00 SBOX C ATOM 390 H3' GUA A 19 67.189 68.587 5.446 1.00 0.00 SBOX ATOM 391 C2' GUA A 19 65.949 67.359 6.678 1.00 0.00 SBOX C ATOM 392 H2'' GUA A 19 65.382 67.132 5.775 1.00 0.00 SBOX ATOM 393 O2' GUA A 19 66.117 66.216 7.491 1.00 0.00 SBOX O ATOM 394 H2' GUA A 19 66.519 65.555 6.922 1.00 0.00 SBOX ATOM 395 O3' GUA A 19 68.416 67.248 6.336 1.00 0.00 SBOX O ATOM 396 P ADE A 20 68.681 66.210 5.265 1.00 0.00 SBOX P ATOM 397 O1P ADE A 20 68.031 66.631 3.976 1.00 0.00 SBOX ATOM 398 O2P ADE A 20 70.129 65.890 5.302 1.00 0.00 SBOX ATOM 399 O5' ADE A 20 67.887 64.905 5.775 1.00 0.00 SBOX O ATOM 400 C5' ADE A 20 68.415 64.229 6.875 1.00 0.00 SBOX C ATOM 401 H5' ADE A 20 68.399 64.966 7.677 1.00 0.00 SBOX ATOM 402 H5'' ADE A 20 69.476 64.023 6.734 1.00 0.00 SBOX ATOM 403 C4' ADE A 20 67.666 62.957 7.151 1.00 0.00 SBOX C ATOM 404 H4' ADE A 20 68.005 62.588 8.119 1.00 0.00 SBOX ATOM 405 O4' ADE A 20 66.318 63.201 7.342 1.00 0.00 SBOX O ATOM 406 C1' ADE A 20 65.466 62.217 6.680 1.00 0.00 SBOX C ATOM 407 H1' ADE A 20 65.072 61.541 7.439 1.00 0.00 SBOX ATOM 408 N9 ADE A 20 64.399 62.820 5.889 1.00 0.00 SBOX N ATOM 409 C8 ADE A 20 64.507 63.994 5.206 1.00 0.00 SBOX C ATOM 410 H8 ADE A 20 65.328 64.666 5.406 1.00 0.00 SBOX ATOM 411 N7 ADE A 20 63.370 64.326 4.604 1.00 0.00 SBOX N ATOM 412 C5 ADE A 20 62.537 63.220 4.953 1.00 0.00 SBOX C ATOM 413 C6 ADE A 20 61.203 62.883 4.657 1.00 0.00 SBOX C ATOM 414 N6 ADE A 20 60.353 63.628 4.084 1.00 0.00 SBOX N ATOM 415 H61 ADE A 20 59.400 63.295 4.072 1.00 0.00 SBOX ATOM 416 H62 ADE A 20 60.503 64.619 4.205 1.00 0.00 SBOX ATOM 417 N1 ADE A 20 60.681 61.729 5.052 1.00 0.00 SBOX N ATOM 418 C2 ADE A 20 61.455 60.871 5.740 1.00 0.00 SBOX C ATOM 419 H2 ADE A 20 60.880 60.023 6.082 1.00 0.00 SBOX ATOM 420 N3 ADE A 20 62.709 61.109 6.206 1.00 0.00 SBOX N ATOM 421 C4 ADE A 20 63.169 62.300 5.696 1.00 0.00 SBOX C ATOM 422 C3' ADE A 20 67.729 61.926 6.022 1.00 0.00 SBOX C ATOM 423 H3' ADE A 20 68.011 62.483 5.129 1.00 0.00 SBOX ATOM 424 C2' ADE A 20 66.324 61.401 5.722 1.00 0.00 SBOX C ATOM 425 H2'' ADE A 20 66.024 61.617 4.697 1.00 0.00 SBOX ATOM 426 O2' ADE A 20 66.023 60.035 5.899 1.00 0.00 SBOX O ATOM 427 H2' ADE A 20 65.690 59.864 6.783 1.00 0.00 SBOX ATOM 428 O3' ADE A 20 68.767 60.966 6.047 1.00 0.00 SBOX O ATOM 429 P GUA A 21 69.056 59.973 7.218 1.00 0.00 SBOX P ATOM 430 O1P GUA A 21 69.227 58.654 6.613 1.00 0.00 SBOX ATOM 431 O2P GUA A 21 70.179 60.625 7.961 1.00 0.00 SBOX ATOM 432 O5' GUA A 21 67.767 60.009 8.091 1.00 0.00 SBOX O ATOM 433 C5' GUA A 21 67.358 58.920 8.943 1.00 0.00 SBOX C ATOM 434 H5' GUA A 21 68.112 58.798 9.721 1.00 0.00 SBOX ATOM 435 H5'' GUA A 21 67.403 58.012 8.341 1.00 0.00 SBOX ATOM 436 C4' GUA A 21 66.002 59.218 9.604 1.00 0.00 SBOX C ATOM 437 H4' GUA A 21 66.215 60.067 10.253 1.00 0.00 SBOX ATOM 438 O4' GUA A 21 65.001 59.560 8.598 1.00 0.00 SBOX O ATOM 439 C1' GUA A 21 63.752 58.971 9.056 1.00 0.00 SBOX C ATOM 440 H1' GUA A 21 62.886 59.633 9.046 1.00 0.00 SBOX ATOM 441 N9 GUA A 21 63.502 57.839 8.211 1.00 0.00 SBOX N ATOM 442 C8 GUA A 21 64.386 56.928 7.668 1.00 0.00 SBOX C ATOM 443 H8 GUA A 21 65.461 56.994 7.748 1.00 0.00 SBOX ATOM 444 N7 GUA A 21 63.800 55.847 7.131 1.00 0.00 SBOX N ATOM 445 C5 GUA A 21 62.462 56.128 7.421 1.00 0.00 SBOX C ATOM 446 C6 GUA A 21 61.259 55.240 7.182 1.00 0.00 SBOX C ATOM 447 O6 GUA A 21 61.108 54.114 6.727 1.00 0.00 SBOX O ATOM 448 N1 GUA A 21 60.122 55.832 7.645 1.00 0.00 SBOX N ATOM 449 H1 GUA A 21 59.236 55.348 7.611 1.00 0.00 SBOX ATOM 450 C2 GUA A 21 60.076 57.045 8.259 1.00 0.00 SBOX C ATOM 451 N2 GUA A 21 58.849 57.445 8.470 1.00 0.00 SBOX N ATOM 452 H21 GUA A 21 58.085 56.876 8.132 1.00 0.00 SBOX ATOM 453 H22 GUA A 21 58.761 58.262 9.056 1.00 0.00 SBOX ATOM 454 N3 GUA A 21 61.046 57.898 8.434 1.00 0.00 SBOX N ATOM 455 C4 GUA A 21 62.236 57.384 8.001 1.00 0.00 SBOX C ATOM 456 C3' GUA A 21 65.259 58.191 10.471 1.00 0.00 SBOX C ATOM 457 H3' GUA A 21 65.445 57.218 10.016 1.00 0.00 SBOX ATOM 458 C2' GUA A 21 63.799 58.570 10.521 1.00 0.00 SBOX C ATOM 459 H2'' GUA A 21 63.238 57.683 10.815 1.00 0.00 SBOX ATOM 460 O2' GUA A 21 63.517 59.762 11.233 1.00 0.00 SBOX O ATOM 461 H2' GUA A 21 62.691 60.086 10.865 1.00 0.00 SBOX ATOM 462 O3' GUA A 21 65.813 58.180 11.778 1.00 0.00 SBOX O ATOM 463 P GUA A 22 65.656 56.940 12.727 1.00 0.00 SBOX P ATOM 464 O1P GUA A 22 65.932 55.713 11.978 1.00 0.00 SBOX ATOM 465 O2P GUA A 22 66.364 57.188 13.989 1.00 0.00 SBOX ATOM 466 O5' GUA A 22 64.027 56.890 12.869 1.00 0.00 SBOX O ATOM 467 C5' GUA A 22 63.312 57.683 13.791 1.00 0.00 SBOX C ATOM 468 H5' GUA A 22 63.377 58.742 13.541 1.00 0.00 SBOX ATOM 469 H5'' GUA A 22 63.691 57.740 14.812 1.00 0.00 SBOX ATOM 470 C4' GUA A 22 61.762 57.371 13.846 1.00 0.00 SBOX C ATOM 471 H4' GUA A 22 61.300 58.049 14.564 1.00 0.00 SBOX ATOM 472 O4' GUA A 22 61.120 57.454 12.554 1.00 0.00 SBOX O ATOM 473 C1' GUA A 22 60.157 56.448 12.364 1.00 0.00 SBOX C ATOM 474 H1' GUA A 22 59.216 56.869 12.010 1.00 0.00 SBOX ATOM 475 N9 GUA A 22 60.743 55.391 11.424 1.00 0.00 SBOX N ATOM 476 C8 GUA A 22 62.050 55.113 10.994 1.00 0.00 SBOX C ATOM 477 H8 GUA A 22 62.922 55.683 11.278 1.00 0.00 SBOX ATOM 478 N7 GUA A 22 62.100 54.157 10.120 1.00 0.00 SBOX N ATOM 479 C5 GUA A 22 60.780 53.624 10.061 1.00 0.00 SBOX C ATOM 480 C6 GUA A 22 60.227 52.443 9.442 1.00 0.00 SBOX C ATOM 481 O6 GUA A 22 60.813 51.641 8.770 1.00 0.00 SBOX O ATOM 482 N1 GUA A 22 58.859 52.365 9.507 1.00 0.00 SBOX N ATOM 483 H1 GUA A 22 58.403 51.712 8.886 1.00 0.00 SBOX ATOM 484 C2 GUA A 22 58.112 53.325 10.106 1.00 0.00 SBOX C ATOM 485 N2 GUA A 22 56.834 53.075 10.177 1.00 0.00 SBOX N ATOM 486 H21 GUA A 22 56.384 52.309 9.696 1.00 0.00 SBOX ATOM 487 H22 GUA A 22 56.222 53.832 10.447 1.00 0.00 SBOX ATOM 488 N3 GUA A 22 58.596 54.373 10.862 1.00 0.00 SBOX N ATOM 489 C4 GUA A 22 59.936 54.431 10.827 1.00 0.00 SBOX C ATOM 490 C3' GUA A 22 61.430 55.954 14.318 1.00 0.00 SBOX C ATOM 491 H3' GUA A 22 62.125 55.269 13.833 1.00 0.00 SBOX ATOM 492 C2' GUA A 22 60.037 55.817 13.748 1.00 0.00 SBOX C ATOM 493 H2'' GUA A 22 59.744 54.769 13.687 1.00 0.00 SBOX ATOM 494 O2' GUA A 22 59.075 56.646 14.403 1.00 0.00 SBOX O ATOM 495 H2' GUA A 22 58.180 56.303 14.352 1.00 0.00 SBOX ATOM 496 O3' GUA A 22 61.448 55.750 15.724 1.00 0.00 SBOX O ATOM 497 P GUA A 23 61.900 54.290 16.373 1.00 0.00 SBOX P ATOM 498 O1P GUA A 23 63.028 53.820 15.560 1.00 0.00 SBOX ATOM 499 O2P GUA A 23 62.118 54.488 17.818 1.00 0.00 SBOX ATOM 500 O5' GUA A 23 60.627 53.372 16.111 1.00 0.00 SBOX O ATOM 501 C5' GUA A 23 59.313 53.768 16.594 1.00 0.00 SBOX C ATOM 502 H5' GUA A 23 59.024 54.775 16.293 1.00 0.00 SBOX ATOM 503 H5'' GUA A 23 59.324 53.969 17.665 1.00 0.00 SBOX ATOM 504 C4' GUA A 23 58.071 52.997 15.975 1.00 0.00 SBOX C ATOM 505 H4' GUA A 23 57.136 53.352 16.409 1.00 0.00 SBOX ATOM 506 O4' GUA A 23 57.850 53.219 14.586 1.00 0.00 SBOX O ATOM 507 C1' GUA A 23 57.271 51.991 14.098 1.00 0.00 SBOX C ATOM 508 H1' GUA A 23 56.300 52.312 13.720 1.00 0.00 SBOX ATOM 509 N9 GUA A 23 58.200 51.327 13.113 1.00 0.00 SBOX N ATOM 510 C8 GUA A 23 59.603 51.480 12.972 1.00 0.00 SBOX C ATOM 511 H8 GUA A 23 60.297 52.143 13.465 1.00 0.00 SBOX ATOM 512 N7 GUA A 23 60.177 50.690 12.121 1.00 0.00 SBOX N ATOM 513 C5 GUA A 23 59.071 49.868 11.673 1.00 0.00 SBOX C ATOM 514 C6 GUA A 23 59.012 48.750 10.745 1.00 0.00 SBOX C ATOM 515 O6 GUA A 23 59.985 48.271 10.138 1.00 0.00 SBOX O ATOM 516 N1 GUA A 23 57.792 48.187 10.645 1.00 0.00 SBOX N ATOM 517 H1 GUA A 23 57.609 47.476 9.951 1.00 0.00 SBOX ATOM 518 C2 GUA A 23 56.703 48.659 11.244 1.00 0.00 SBOX C ATOM 519 N2 GUA A 23 55.634 48.050 10.919 1.00 0.00 SBOX N ATOM 520 H21 GUA A 23 55.724 47.155 10.461 1.00 0.00 SBOX ATOM 521 H22 GUA A 23 54.790 48.522 11.211 1.00 0.00 SBOX ATOM 522 N3 GUA A 23 56.615 49.692 12.003 1.00 0.00 SBOX N ATOM 523 C4 GUA A 23 57.884 50.254 12.243 1.00 0.00 SBOX C ATOM 524 C3' GUA A 23 58.102 51.491 16.261 1.00 0.00 SBOX C ATOM 525 H3' GUA A 23 59.058 51.047 15.983 1.00 0.00 SBOX ATOM 526 C2' GUA A 23 57.009 50.997 15.245 1.00 0.00 SBOX C ATOM 527 H2'' GUA A 23 57.361 50.012 14.937 1.00 0.00 SBOX ATOM 528 O2' GUA A 23 55.610 51.166 15.722 1.00 0.00 SBOX O ATOM 529 H2' GUA A 23 55.487 50.694 16.549 1.00 0.00 SBOX ATOM 530 O3' GUA A 23 57.841 51.187 17.604 1.00 0.00 SBOX O ATOM 531 P ADE A 24 58.029 49.788 18.191 1.00 0.00 SBOX P ATOM 532 O1P ADE A 24 57.202 49.784 19.417 1.00 0.00 SBOX ATOM 533 O2P ADE A 24 57.980 48.712 17.192 1.00 0.00 SBOX ATOM 534 O5' ADE A 24 59.470 49.691 18.820 1.00 0.00 SBOX O ATOM 535 C5' ADE A 24 60.217 50.860 18.990 1.00 0.00 SBOX C ATOM 536 H5' ADE A 24 59.628 51.621 19.503 1.00 0.00 SBOX ATOM 537 H5'' ADE A 24 60.601 51.303 18.071 1.00 0.00 SBOX ATOM 538 C4' ADE A 24 61.425 50.758 19.884 1.00 0.00 SBOX C ATOM 539 H4' ADE A 24 61.958 51.706 19.959 1.00 0.00 SBOX ATOM 540 O4' ADE A 24 60.931 50.513 21.228 1.00 0.00 SBOX O ATOM 541 C1' ADE A 24 61.591 49.352 21.809 1.00 0.00 SBOX C ATOM 542 H1' ADE A 24 62.014 49.585 22.787 1.00 0.00 SBOX ATOM 543 N9 ADE A 24 60.571 48.266 21.965 1.00 0.00 SBOX N ATOM 544 C8 ADE A 24 59.193 48.292 21.725 1.00 0.00 SBOX C ATOM 545 H8 ADE A 24 58.750 49.098 21.158 1.00 0.00 SBOX ATOM 546 N7 ADE A 24 58.585 47.249 22.297 1.00 0.00 SBOX N ATOM 547 C5 ADE A 24 59.634 46.503 22.940 1.00 0.00 SBOX C ATOM 548 C6 ADE A 24 59.705 45.317 23.669 1.00 0.00 SBOX C ATOM 549 N6 ADE A 24 58.728 44.541 23.991 1.00 0.00 SBOX N ATOM 550 H61 ADE A 24 58.888 43.666 24.470 1.00 0.00 SBOX ATOM 551 H62 ADE A 24 57.797 44.841 23.740 1.00 0.00 SBOX ATOM 552 N1 ADE A 24 60.840 44.946 24.227 1.00 0.00 SBOX N ATOM 553 C2 ADE A 24 61.936 45.632 24.004 1.00 0.00 SBOX C ATOM 554 H2 ADE A 24 62.855 45.349 24.497 1.00 0.00 SBOX ATOM 555 N3 ADE A 24 62.016 46.754 23.273 1.00 0.00 SBOX N ATOM 556 C4 ADE A 24 60.801 47.128 22.758 1.00 0.00 SBOX C ATOM 557 C3' ADE A 24 62.307 49.597 19.538 1.00 0.00 SBOX C ATOM 558 H3' ADE A 24 61.760 48.847 18.967 1.00 0.00 SBOX ATOM 559 C2' ADE A 24 62.700 49.012 20.898 1.00 0.00 SBOX C ATOM 560 H2'' ADE A 24 62.895 47.951 20.741 1.00 0.00 SBOX ATOM 561 O2' ADE A 24 63.862 49.651 21.288 1.00 0.00 SBOX O ATOM 562 H2' ADE A 24 64.340 49.885 20.489 1.00 0.00 SBOX ATOM 563 O3' ADE A 24 63.379 49.978 18.749 1.00 0.00 SBOX O ATOM 564 P CYT A 25 63.919 49.095 17.621 1.00 0.00 SBOX P ATOM 565 O1P CYT A 25 62.794 48.895 16.643 1.00 0.00 SBOX ATOM 566 O2P CYT A 25 65.160 49.660 17.043 1.00 0.00 SBOX ATOM 567 O5' CYT A 25 64.376 47.708 18.316 1.00 0.00 SBOX O ATOM 568 C5' CYT A 25 65.625 47.548 18.966 1.00 0.00 SBOX C ATOM 569 H5' CYT A 25 65.692 48.289 19.763 1.00 0.00 SBOX ATOM 570 H5'' CYT A 25 66.434 47.580 18.237 1.00 0.00 SBOX ATOM 571 C4' CYT A 25 65.644 46.115 19.679 1.00 0.00 SBOX C ATOM 572 H4' CYT A 25 66.609 45.964 20.165 1.00 0.00 SBOX ATOM 573 O4' CYT A 25 64.695 45.984 20.761 1.00 0.00 SBOX O ATOM 574 C1' CYT A 25 64.216 44.621 20.864 1.00 0.00 SBOX C ATOM 575 H1' CYT A 25 64.575 44.171 21.789 1.00 0.00 SBOX ATOM 576 N1 CYT A 25 62.745 44.717 20.725 1.00 0.00 SBOX N ATOM 577 C6 CYT A 25 62.178 45.582 19.845 1.00 0.00 SBOX C ATOM 578 H6 CYT A 25 62.748 46.322 19.304 1.00 0.00 SBOX ATOM 579 C5 CYT A 25 60.874 45.519 19.563 1.00 0.00 SBOX C ATOM 580 H5 CYT A 25 60.457 46.158 18.798 1.00 0.00 SBOX ATOM 581 C4 CYT A 25 60.123 44.480 20.133 1.00 0.00 SBOX C ATOM 582 N4 CYT A 25 58.835 44.289 19.845 1.00 0.00 SBOX N ATOM 583 H41 CYT A 25 58.339 43.650 20.450 1.00 0.00 SBOX ATOM 584 H42 CYT A 25 58.365 44.866 19.162 1.00 0.00 SBOX ATOM 585 N3 CYT A 25 60.626 43.615 20.905 1.00 0.00 SBOX N ATOM 586 C2 CYT A 25 61.913 43.716 21.255 1.00 0.00 SBOX C ATOM 587 O2 CYT A 25 62.411 42.732 21.837 1.00 0.00 SBOX O ATOM 588 C3' CYT A 25 65.311 44.960 18.735 1.00 0.00 SBOX C ATOM 589 H3' CYT A 25 64.604 45.308 17.982 1.00 0.00 SBOX ATOM 590 C2' CYT A 25 64.711 43.843 19.605 1.00 0.00 SBOX C ATOM 591 H2'' CYT A 25 63.904 43.254 19.168 1.00 0.00 SBOX ATOM 592 O2' CYT A 25 65.786 43.068 20.176 1.00 0.00 SBOX O ATOM 593 H2' CYT A 25 65.812 42.340 19.551 1.00 0.00 SBOX ATOM 594 O3' CYT A 25 66.536 44.415 18.190 1.00 0.00 SBOX O ATOM 595 P URA A 26 66.587 43.880 16.683 1.00 0.00 SBOX P ATOM 596 O1P URA A 26 65.708 44.799 15.929 1.00 0.00 SBOX ATOM 597 O2P URA A 26 67.990 43.901 16.301 1.00 0.00 SBOX ATOM 598 O5' URA A 26 65.958 42.392 16.702 1.00 0.00 SBOX O ATOM 599 C5' URA A 26 66.750 41.343 17.164 1.00 0.00 SBOX C ATOM 600 H5' URA A 26 66.798 41.440 18.249 1.00 0.00 SBOX ATOM 601 H5'' URA A 26 67.724 41.398 16.678 1.00 0.00 SBOX ATOM 602 C4' URA A 26 65.965 40.023 16.912 1.00 0.00 SBOX C ATOM 603 H4' URA A 26 66.720 39.276 17.159 1.00 0.00 SBOX ATOM 604 O4' URA A 26 64.826 39.998 17.730 1.00 0.00 SBOX O ATOM 605 C1' URA A 26 63.796 39.259 17.118 1.00 0.00 SBOX C ATOM 606 H1' URA A 26 63.461 38.443 17.759 1.00 0.00 SBOX ATOM 607 N1 URA A 26 62.569 40.160 16.957 1.00 0.00 SBOX N ATOM 608 C6 URA A 26 62.678 41.558 17.059 1.00 0.00 SBOX C ATOM 609 H6 URA A 26 63.659 41.983 16.906 1.00 0.00 SBOX ATOM 610 C5 URA A 26 61.538 42.277 17.243 1.00 0.00 SBOX C ATOM 611 H5 URA A 26 61.625 43.352 17.306 1.00 0.00 SBOX ATOM 612 C4 URA A 26 60.250 41.721 17.312 1.00 0.00 SBOX C ATOM 613 O4 URA A 26 59.208 42.280 17.541 1.00 0.00 SBOX O ATOM 614 N3 URA A 26 60.220 40.376 17.064 1.00 0.00 SBOX N ATOM 615 H3 URA A 26 59.280 40.008 17.093 1.00 0.00 SBOX ATOM 616 C2 URA A 26 61.258 39.560 16.976 1.00 0.00 SBOX C ATOM 617 O2 URA A 26 61.130 38.276 16.918 1.00 0.00 SBOX O ATOM 618 C3' URA A 26 65.477 39.767 15.515 1.00 0.00 SBOX C ATOM 619 H3' URA A 26 65.134 40.751 15.194 1.00 0.00 SBOX ATOM 620 C2' URA A 26 64.385 38.764 15.797 1.00 0.00 SBOX C ATOM 621 H2'' URA A 26 63.710 38.744 14.942 1.00 0.00 SBOX ATOM 622 O2' URA A 26 64.908 37.469 15.939 1.00 0.00 SBOX O ATOM 623 H2' URA A 26 64.244 36.776 15.912 1.00 0.00 SBOX ATOM 624 O3' URA A 26 66.541 39.265 14.668 1.00 0.00 SBOX O ATOM 625 P GUA A 27 66.579 39.512 13.147 1.00 0.00 SBOX P ATOM 626 O1P GUA A 27 66.614 40.984 12.881 1.00 0.00 SBOX ATOM 627 O2P GUA A 27 67.671 38.624 12.716 1.00 0.00 SBOX ATOM 628 O5' GUA A 27 65.162 38.879 12.491 1.00 0.00 SBOX O ATOM 629 C5' GUA A 27 65.019 37.490 12.225 1.00 0.00 SBOX C ATOM 630 H5' GUA A 27 65.438 36.799 12.956 1.00 0.00 SBOX ATOM 631 H5'' GUA A 27 65.541 37.313 11.284 1.00 0.00 SBOX ATOM 632 C4' GUA A 27 63.525 37.174 11.961 1.00 0.00 SBOX C ATOM 633 H4' GUA A 27 63.400 36.107 11.780 1.00 0.00 SBOX ATOM 634 O4' GUA A 27 62.751 37.423 13.139 1.00 0.00 SBOX O ATOM 635 C1' GUA A 27 61.465 37.931 12.883 1.00 0.00 SBOX C ATOM 636 H1' GUA A 27 60.758 37.380 13.504 1.00 0.00 SBOX ATOM 637 N9 GUA A 27 61.339 39.349 13.114 1.00 0.00 SBOX N ATOM 638 C8 GUA A 27 62.214 40.423 13.265 1.00 0.00 SBOX C ATOM 639 H8 GUA A 27 63.288 40.355 13.178 1.00 0.00 SBOX ATOM 640 N7 GUA A 27 61.662 41.530 13.760 1.00 0.00 SBOX N ATOM 641 C5 GUA A 27 60.291 41.181 13.837 1.00 0.00 SBOX C ATOM 642 C6 GUA A 27 59.158 41.923 14.213 1.00 0.00 SBOX C ATOM 643 O6 GUA A 27 59.042 43.080 14.589 1.00 0.00 SBOX O ATOM 644 N1 GUA A 27 57.986 41.213 14.179 1.00 0.00 SBOX N ATOM 645 H1 GUA A 27 57.187 41.648 14.618 1.00 0.00 SBOX ATOM 646 C2 GUA A 27 57.951 39.938 13.842 1.00 0.00 SBOX C ATOM 647 N2 GUA A 27 56.728 39.399 13.678 1.00 0.00 SBOX N ATOM 648 H21 GUA A 27 55.987 40.081 13.750 1.00 0.00 SBOX ATOM 649 H22 GUA A 27 56.441 38.456 13.461 1.00 0.00 SBOX ATOM 650 N3 GUA A 27 58.952 39.219 13.425 1.00 0.00 SBOX N ATOM 651 C4 GUA A 27 60.184 39.878 13.411 1.00 0.00 SBOX C ATOM 652 C3' GUA A 27 62.672 37.878 10.867 1.00 0.00 SBOX C ATOM 653 H3' GUA A 27 63.000 38.913 10.963 1.00 0.00 SBOX ATOM 654 C2' GUA A 27 61.205 37.660 11.382 1.00 0.00 SBOX C ATOM 655 H2'' GUA A 27 60.683 38.539 11.004 1.00 0.00 SBOX ATOM 656 O2' GUA A 27 60.569 36.392 11.197 1.00 0.00 SBOX O ATOM 657 H2' GUA A 27 59.615 36.499 11.194 1.00 0.00 SBOX ATOM 658 O3' GUA A 27 62.936 37.368 9.603 1.00 0.00 SBOX O ATOM 659 P GUA A 28 62.313 37.863 8.327 1.00 0.00 SBOX P ATOM 660 O1P GUA A 28 62.781 39.246 8.339 1.00 0.00 SBOX ATOM 661 O2P GUA A 28 62.607 36.936 7.250 1.00 0.00 SBOX ATOM 662 O5' GUA A 28 60.745 37.807 8.564 1.00 0.00 SBOX O ATOM 663 C5' GUA A 28 59.860 38.708 7.919 1.00 0.00 SBOX C ATOM 664 H5' GUA A 28 59.896 38.539 6.843 1.00 0.00 SBOX ATOM 665 H5'' GUA A 28 60.238 39.716 8.090 1.00 0.00 SBOX ATOM 666 C4' GUA A 28 58.447 38.674 8.470 1.00 0.00 SBOX C ATOM 667 H4' GUA A 28 58.086 37.661 8.290 1.00 0.00 SBOX ATOM 668 O4' GUA A 28 58.407 38.959 9.868 1.00 0.00 SBOX O ATOM 669 C1' GUA A 28 57.255 39.849 10.062 1.00 0.00 SBOX C ATOM 670 H1' GUA A 28 56.636 39.409 10.844 1.00 0.00 SBOX ATOM 671 N9 GUA A 28 57.729 41.243 10.474 1.00 0.00 SBOX N ATOM 672 C8 GUA A 28 59.013 41.655 10.699 1.00 0.00 SBOX C ATOM 673 H8 GUA A 28 59.907 41.141 10.377 1.00 0.00 SBOX ATOM 674 N7 GUA A 28 59.123 42.871 11.243 1.00 0.00 SBOX N ATOM 675 C5 GUA A 28 57.784 43.189 11.435 1.00 0.00 SBOX C ATOM 676 C6 GUA A 28 57.222 44.319 12.076 1.00 0.00 SBOX C ATOM 677 O6 GUA A 28 57.738 45.270 12.708 1.00 0.00 SBOX O ATOM 678 N1 GUA A 28 55.815 44.342 12.106 1.00 0.00 SBOX N ATOM 679 H1 GUA A 28 55.314 45.003 12.681 1.00 0.00 SBOX ATOM 680 C2 GUA A 28 55.075 43.348 11.573 1.00 0.00 SBOX C ATOM 681 N2 GUA A 28 53.864 43.522 11.571 1.00 0.00 SBOX N ATOM 682 H21 GUA A 28 53.491 44.419 11.848 1.00 0.00 SBOX ATOM 683 H22 GUA A 28 53.297 42.804 11.142 1.00 0.00 SBOX ATOM 684 N3 GUA A 28 55.521 42.230 11.011 1.00 0.00 SBOX N ATOM 685 C4 GUA A 28 56.862 42.259 10.910 1.00 0.00 SBOX C ATOM 686 C3' GUA A 28 57.600 39.696 7.699 1.00 0.00 SBOX C ATOM 687 H3' GUA A 28 58.189 40.607 7.599 1.00 0.00 SBOX ATOM 688 C2' GUA A 28 56.507 39.903 8.745 1.00 0.00 SBOX C ATOM 689 H2'' GUA A 28 55.966 40.823 8.522 1.00 0.00 SBOX ATOM 690 O2' GUA A 28 55.612 38.849 8.855 1.00 0.00 SBOX O ATOM 691 H2' GUA A 28 54.974 39.096 9.528 1.00 0.00 SBOX ATOM 692 O3' GUA A 28 57.052 39.159 6.511 1.00 0.00 SBOX O ATOM 693 P CYT A 29 57.042 39.947 5.105 1.00 0.00 SBOX P ATOM 694 O1P CYT A 29 58.361 40.597 4.950 1.00 0.00 SBOX ATOM 695 O2P CYT A 29 56.493 39.001 4.095 1.00 0.00 SBOX ATOM 696 O5' CYT A 29 56.038 41.082 5.424 1.00 0.00 SBOX O ATOM 697 C5' CYT A 29 54.667 40.855 5.580 1.00 0.00 SBOX C ATOM 698 H5' CYT A 29 54.438 39.965 6.166 1.00 0.00 SBOX ATOM 699 H5'' CYT A 29 54.145 40.720 4.632 1.00 0.00 SBOX ATOM 700 C4' CYT A 29 53.881 41.966 6.398 1.00 0.00 SBOX C ATOM 701 H4' CYT A 29 52.820 41.721 6.349 1.00 0.00 SBOX ATOM 702 O4' CYT A 29 54.436 42.073 7.706 1.00 0.00 SBOX O ATOM 703 C1' CYT A 29 54.593 43.450 7.958 1.00 0.00 SBOX C ATOM 704 H1' CYT A 29 54.048 43.632 8.884 1.00 0.00 SBOX ATOM 705 N1 CYT A 29 55.980 44.058 8.112 1.00 0.00 SBOX N ATOM 706 C6 CYT A 29 57.084 43.588 7.400 1.00 0.00 SBOX C ATOM 707 H6 CYT A 29 56.959 42.789 6.685 1.00 0.00 SBOX ATOM 708 C5 CYT A 29 58.318 44.060 7.659 1.00 0.00 SBOX C ATOM 709 H5 CYT A 29 59.187 43.527 7.301 1.00 0.00 SBOX ATOM 710 C4 CYT A 29 58.406 45.168 8.509 1.00 0.00 SBOX C ATOM 711 N4 CYT A 29 59.506 45.738 8.762 1.00 0.00 SBOX N ATOM 712 H41 CYT A 29 59.460 46.323 9.584 1.00 0.00 SBOX ATOM 713 H42 CYT A 29 60.400 45.305 8.580 1.00 0.00 SBOX ATOM 714 N3 CYT A 29 57.401 45.787 9.098 1.00 0.00 SBOX N ATOM 715 C2 CYT A 29 56.187 45.204 8.940 1.00 0.00 SBOX C ATOM 716 O2 CYT A 29 55.198 45.609 9.479 1.00 0.00 SBOX O ATOM 717 C3' CYT A 29 54.044 43.344 5.703 1.00 0.00 SBOX C ATOM 718 H3' CYT A 29 55.076 43.447 5.368 1.00 0.00 SBOX ATOM 719 C2' CYT A 29 53.812 44.217 6.929 1.00 0.00 SBOX C ATOM 720 H2'' CYT A 29 54.331 45.163 6.778 1.00 0.00 SBOX ATOM 721 O2' CYT A 29 52.481 44.444 7.306 1.00 0.00 SBOX O ATOM 722 H2' CYT A 29 52.581 45.011 8.074 1.00 0.00 SBOX ATOM 723 O3' CYT A 29 53.199 43.431 4.550 1.00 0.00 SBOX O ATOM 724 P CYT A 30 53.265 44.830 3.734 1.00 0.00 SBOX P ATOM 725 O1P CYT A 30 54.672 44.958 3.338 1.00 0.00 SBOX ATOM 726 O2P CYT A 30 52.187 44.916 2.696 1.00 0.00 SBOX ATOM 727 O5' CYT A 30 52.885 45.934 4.791 1.00 0.00 SBOX O ATOM 728 C5' CYT A 30 52.734 47.333 4.518 1.00 0.00 SBOX C ATOM 729 H5' CYT A 30 51.810 47.516 3.970 1.00 0.00 SBOX ATOM 730 H5'' CYT A 30 53.612 47.759 4.031 1.00 0.00 SBOX ATOM 731 C4' CYT A 30 52.580 48.058 5.866 1.00 0.00 SBOX C ATOM 732 H4' CYT A 30 51.553 47.836 6.155 1.00 0.00 SBOX ATOM 733 O4' CYT A 30 53.455 47.663 6.904 1.00 0.00 SBOX O ATOM 734 C1' CYT A 30 53.891 48.879 7.581 1.00 0.00 SBOX C ATOM 735 H1' CYT A 30 53.645 48.891 8.643 1.00 0.00 SBOX ATOM 736 N1 CYT A 30 55.402 49.076 7.420 1.00 0.00 SBOX N ATOM 737 C6 CYT A 30 56.226 48.173 6.785 1.00 0.00 SBOX C ATOM 738 H6 CYT A 30 55.764 47.409 6.178 1.00 0.00 SBOX ATOM 739 C5 CYT A 30 57.584 48.302 6.901 1.00 0.00 SBOX C ATOM 740 H5 CYT A 30 58.248 47.599 6.419 1.00 0.00 SBOX ATOM 741 C4 CYT A 30 58.078 49.454 7.610 1.00 0.00 SBOX C ATOM 742 N4 CYT A 30 59.307 49.746 7.584 1.00 0.00 SBOX N ATOM 743 H41 CYT A 30 59.537 50.316 8.385 1.00 0.00 SBOX ATOM 744 H42 CYT A 30 59.909 48.989 7.293 1.00 0.00 SBOX ATOM 745 N3 CYT A 30 57.301 50.325 8.211 1.00 0.00 SBOX N ATOM 746 C2 CYT A 30 55.972 50.145 8.124 1.00 0.00 SBOX C ATOM 747 O2 CYT A 30 55.241 50.892 8.806 1.00 0.00 SBOX O ATOM 748 C3' CYT A 30 52.686 49.573 5.679 1.00 0.00 SBOX C ATOM 749 H3' CYT A 30 53.545 49.768 5.037 1.00 0.00 SBOX ATOM 750 C2' CYT A 30 52.934 50.010 7.103 1.00 0.00 SBOX C ATOM 751 H2'' CYT A 30 53.412 50.990 7.103 1.00 0.00 SBOX ATOM 752 O2' CYT A 30 51.752 50.091 7.933 1.00 0.00 SBOX O ATOM 753 H2' CYT A 30 51.937 50.755 8.600 1.00 0.00 SBOX ATOM 754 O3' CYT A 30 51.530 50.200 5.159 1.00 0.00 SBOX O ATOM 755 P CYT A 31 51.646 51.421 4.148 1.00 0.00 SBOX P ATOM 756 O1P CYT A 31 52.738 51.121 3.171 1.00 0.00 SBOX ATOM 757 O2P CYT A 31 50.257 51.769 3.631 1.00 0.00 SBOX ATOM 758 O5' CYT A 31 52.139 52.603 5.071 1.00 0.00 SBOX O ATOM 759 C5' CYT A 31 51.382 53.124 6.161 1.00 0.00 SBOX C ATOM 760 H5' CYT A 31 51.128 52.287 6.812 1.00 0.00 SBOX ATOM 761 H5'' CYT A 31 50.509 53.684 5.826 1.00 0.00 SBOX ATOM 762 C4' CYT A 31 52.202 54.127 7.008 1.00 0.00 SBOX C ATOM 763 H4' CYT A 31 51.505 54.717 7.604 1.00 0.00 SBOX ATOM 764 O4' CYT A 31 53.287 53.648 7.844 1.00 0.00 SBOX O ATOM 765 C1' CYT A 31 54.385 54.548 7.818 1.00 0.00 SBOX C ATOM 766 H1' CYT A 31 54.727 54.818 8.817 1.00 0.00 SBOX ATOM 767 N1 CYT A 31 55.583 54.057 7.080 1.00 0.00 SBOX N ATOM 768 C6 CYT A 31 55.547 52.948 6.305 1.00 0.00 SBOX C ATOM 769 H6 CYT A 31 54.608 52.465 6.081 1.00 0.00 SBOX ATOM 770 C5 CYT A 31 56.631 52.392 5.807 1.00 0.00 SBOX C ATOM 771 H5 CYT A 31 56.555 51.377 5.445 1.00 0.00 SBOX ATOM 772 C4 CYT A 31 57.876 53.028 6.082 1.00 0.00 SBOX C ATOM 773 N4 CYT A 31 58.991 52.536 5.826 1.00 0.00 SBOX N ATOM 774 H41 CYT A 31 59.829 53.031 6.095 1.00 0.00 SBOX ATOM 775 H42 CYT A 31 59.097 51.593 5.481 1.00 0.00 SBOX ATOM 776 N3 CYT A 31 58.022 54.203 6.716 1.00 0.00 SBOX N ATOM 777 C2 CYT A 31 56.854 54.689 7.247 1.00 0.00 SBOX C ATOM 778 O2 CYT A 31 56.958 55.733 7.825 1.00 0.00 SBOX O ATOM 779 C3' CYT A 31 52.927 55.214 6.084 1.00 0.00 SBOX C ATOM 780 H3' CYT A 31 53.538 54.626 5.400 1.00 0.00 SBOX ATOM 781 C2' CYT A 31 53.809 55.830 7.125 1.00 0.00 SBOX C ATOM 782 H2'' CYT A 31 54.623 56.377 6.650 1.00 0.00 SBOX ATOM 783 O2' CYT A 31 53.220 56.706 8.077 1.00 0.00 SBOX O ATOM 784 H2' CYT A 31 53.890 57.362 8.285 1.00 0.00 SBOX ATOM 785 O3' CYT A 31 52.158 56.142 5.340 1.00 0.00 SBOX O ATOM 786 P GUA A 32 52.873 57.013 4.144 1.00 0.00 SBOX P ATOM 787 O1P GUA A 32 53.386 55.907 3.360 1.00 0.00 SBOX ATOM 788 O2P GUA A 32 51.979 57.986 3.490 1.00 0.00 SBOX ATOM 789 O5' GUA A 32 54.146 57.792 4.824 1.00 0.00 SBOX O ATOM 790 C5' GUA A 32 54.109 59.191 5.238 1.00 0.00 SBOX C ATOM 791 H5' GUA A 32 53.720 59.280 6.252 1.00 0.00 SBOX ATOM 792 H5'' GUA A 32 53.461 59.730 4.547 1.00 0.00 SBOX ATOM 793 C4' GUA A 32 55.466 59.815 5.168 1.00 0.00 SBOX C ATOM 794 H4' GUA A 32 55.450 60.839 5.541 1.00 0.00 SBOX ATOM 795 O4' GUA A 32 56.362 59.059 5.961 1.00 0.00 SBOX O ATOM 796 C1' GUA A 32 57.701 59.030 5.381 1.00 0.00 SBOX C ATOM 797 H1' GUA A 32 58.449 59.463 6.044 1.00 0.00 SBOX ATOM 798 N9 GUA A 32 58.070 57.658 5.035 1.00 0.00 SBOX N ATOM 799 C8 GUA A 32 57.277 56.621 4.591 1.00 0.00 SBOX C ATOM 800 H8 GUA A 32 56.213 56.597 4.776 1.00 0.00 SBOX ATOM 801 N7 GUA A 32 57.901 55.663 3.899 1.00 0.00 SBOX N ATOM 802 C5 GUA A 32 59.202 56.087 3.916 1.00 0.00 SBOX C ATOM 803 C6 GUA A 32 60.357 55.513 3.271 1.00 0.00 SBOX C ATOM 804 O6 GUA A 32 60.421 54.470 2.566 1.00 0.00 SBOX O ATOM 805 N1 GUA A 32 61.495 56.282 3.527 1.00 0.00 SBOX N ATOM 806 H1 GUA A 32 62.374 55.816 3.353 1.00 0.00 SBOX ATOM 807 C2 GUA A 32 61.477 57.512 4.130 1.00 0.00 SBOX C ATOM 808 N2 GUA A 32 62.590 58.025 4.384 1.00 0.00 SBOX N ATOM 809 H21 GUA A 32 63.436 57.473 4.379 1.00 0.00 SBOX ATOM 810 H22 GUA A 32 62.707 58.896 4.880 1.00 0.00 SBOX ATOM 811 N3 GUA A 32 60.411 58.122 4.632 1.00 0.00 SBOX N ATOM 812 C4 GUA A 32 59.293 57.323 4.543 1.00 0.00 SBOX C ATOM 813 C3' GUA A 32 56.083 59.697 3.816 1.00 0.00 SBOX C ATOM 814 H3' GUA A 32 55.903 58.744 3.319 1.00 0.00 SBOX ATOM 815 C2' GUA A 32 57.574 59.842 4.075 1.00 0.00 SBOX C ATOM 816 H2'' GUA A 32 58.157 59.488 3.225 1.00 0.00 SBOX ATOM 817 O2' GUA A 32 57.998 61.198 4.363 1.00 0.00 SBOX O ATOM 818 H2' GUA A 32 58.946 61.335 4.437 1.00 0.00 SBOX ATOM 819 O3' GUA A 32 55.489 60.603 2.955 1.00 0.00 SBOX O ATOM 820 P ADE A 33 55.537 60.499 1.327 1.00 0.00 SBOX P ATOM 821 O1P ADE A 33 56.598 59.488 0.958 1.00 0.00 SBOX ATOM 822 O2P ADE A 33 54.230 60.269 0.824 1.00 0.00 SBOX ATOM 823 O5' ADE A 33 55.974 61.930 0.853 1.00 0.00 SBOX O ATOM 824 C5' ADE A 33 57.115 62.517 1.460 1.00 0.00 SBOX C ATOM 825 H5' ADE A 33 57.843 61.719 1.610 1.00 0.00 SBOX ATOM 826 H5'' ADE A 33 56.709 62.882 2.403 1.00 0.00 SBOX ATOM 827 C4' ADE A 33 57.597 63.745 0.598 1.00 0.00 SBOX C ATOM 828 H4' ADE A 33 56.891 64.574 0.646 1.00 0.00 SBOX ATOM 829 O4' ADE A 33 58.842 63.936 1.064 1.00 0.00 SBOX O ATOM 830 C1' ADE A 33 59.748 64.249 0.021 1.00 0.00 SBOX C ATOM 831 H1' ADE A 33 59.665 65.311 -0.212 1.00 0.00 SBOX ATOM 832 N9 ADE A 33 61.097 63.798 0.336 1.00 0.00 SBOX N ATOM 833 C8 ADE A 33 62.245 64.500 0.283 1.00 0.00 SBOX C ATOM 834 H8 ADE A 33 62.366 65.475 -0.166 1.00 0.00 SBOX ATOM 835 N7 ADE A 33 63.286 63.999 0.957 1.00 0.00 SBOX N ATOM 836 C5 ADE A 33 62.722 62.741 1.465 1.00 0.00 SBOX C ATOM 837 C6 ADE A 33 63.135 61.490 1.981 1.00 0.00 SBOX C ATOM 838 N6 ADE A 33 64.461 61.247 2.299 1.00 0.00 SBOX N ATOM 839 H61 ADE A 33 64.695 60.330 2.651 1.00 0.00 SBOX ATOM 840 H62 ADE A 33 65.149 61.964 2.117 1.00 0.00 SBOX ATOM 841 N1 ADE A 33 62.340 60.530 2.372 1.00 0.00 SBOX N ATOM 842 C2 ADE A 33 61.070 60.596 1.960 1.00 0.00 SBOX C ATOM 843 H2 ADE A 33 60.442 59.790 2.309 1.00 0.00 SBOX ATOM 844 N3 ADE A 33 60.600 61.558 1.184 1.00 0.00 SBOX N ATOM 845 C4 ADE A 33 61.409 62.645 1.022 1.00 0.00 SBOX C ATOM 846 C3' ADE A 33 57.768 63.280 -0.825 1.00 0.00 SBOX C ATOM 847 H3' ADE A 33 57.635 62.198 -0.842 1.00 0.00 SBOX ATOM 848 C2' ADE A 33 59.208 63.463 -1.202 1.00 0.00 SBOX C ATOM 849 H2'' ADE A 33 59.677 62.480 -1.235 1.00 0.00 SBOX ATOM 850 O2' ADE A 33 59.387 64.016 -2.450 1.00 0.00 SBOX O ATOM 851 H2' ADE A 33 58.831 64.798 -2.419 1.00 0.00 SBOX ATOM 852 O3' ADE A 33 56.821 63.755 -1.814 1.00 0.00 SBOX O ATOM 853 P URA A 34 56.472 65.271 -2.069 1.00 0.00 SBOX P ATOM 854 O1P URA A 34 57.760 65.969 -2.000 1.00 0.00 SBOX ATOM 855 O2P URA A 34 55.674 65.396 -3.291 1.00 0.00 SBOX ATOM 856 O5' URA A 34 55.592 65.738 -0.833 1.00 0.00 SBOX O ATOM 857 C5' URA A 34 54.409 65.080 -0.475 1.00 0.00 SBOX C ATOM 858 H5' URA A 34 54.371 65.046 0.613 1.00 0.00 SBOX ATOM 859 H5'' URA A 34 54.460 64.076 -0.899 1.00 0.00 SBOX ATOM 860 C4' URA A 34 53.106 65.798 -0.947 1.00 0.00 SBOX C ATOM 861 H4' URA A 34 53.259 66.867 -0.805 1.00 0.00 SBOX ATOM 862 O4' URA A 34 52.683 65.417 -2.255 1.00 0.00 SBOX O ATOM 863 C1' URA A 34 51.316 65.045 -2.277 1.00 0.00 SBOX C ATOM 864 H1' URA A 34 50.877 65.753 -2.980 1.00 0.00 SBOX ATOM 865 N1 URA A 34 51.081 63.669 -2.865 1.00 0.00 SBOX N ATOM 866 C6 URA A 34 52.131 62.889 -3.283 1.00 0.00 SBOX C ATOM 867 H6 URA A 34 53.125 63.301 -3.188 1.00 0.00 SBOX ATOM 868 C5 URA A 34 51.965 61.640 -3.865 1.00 0.00 SBOX C ATOM 869 H5 URA A 34 52.860 61.188 -4.265 1.00 0.00 SBOX ATOM 870 C4 URA A 34 50.660 61.086 -3.930 1.00 0.00 SBOX C ATOM 871 O4 URA A 34 50.495 59.899 -4.251 1.00 0.00 SBOX O ATOM 872 N3 URA A 34 49.656 61.982 -3.601 1.00 0.00 SBOX N ATOM 873 H3 URA A 34 48.741 61.567 -3.704 1.00 0.00 SBOX ATOM 874 C2 URA A 34 49.795 63.227 -3.066 1.00 0.00 SBOX C ATOM 875 O2 URA A 34 48.841 63.818 -2.678 1.00 0.00 SBOX O ATOM 876 C3' URA A 34 52.025 65.268 -0.056 1.00 0.00 SBOX C ATOM 877 H3' URA A 34 52.273 64.245 0.228 1.00 0.00 SBOX ATOM 878 C2' URA A 34 50.719 65.180 -0.931 1.00 0.00 SBOX C ATOM 879 H2'' URA A 34 50.115 64.331 -0.613 1.00 0.00 SBOX ATOM 880 O2' URA A 34 49.996 66.410 -0.972 1.00 0.00 SBOX O ATOM 881 H2' URA A 34 49.679 66.612 -0.089 1.00 0.00 SBOX ATOM 882 O3' URA A 34 51.826 66.046 1.143 1.00 0.00 SBOX O ATOM 883 P GUA A 35 51.994 65.407 2.527 1.00 0.00 SBOX P ATOM 884 O1P GUA A 35 51.009 66.182 3.305 1.00 0.00 SBOX ATOM 885 O2P GUA A 35 51.829 63.914 2.429 1.00 0.00 SBOX ATOM 886 O5' GUA A 35 53.427 65.956 2.894 1.00 0.00 SBOX O ATOM 887 C5' GUA A 35 53.854 65.926 4.239 1.00 0.00 SBOX C ATOM 888 H5' GUA A 35 53.284 65.281 4.908 1.00 0.00 SBOX ATOM 889 H5'' GUA A 35 53.992 66.935 4.628 1.00 0.00 SBOX ATOM 890 C4' GUA A 35 55.215 65.236 4.238 1.00 0.00 SBOX C ATOM 891 H4' GUA A 35 54.971 64.184 4.385 1.00 0.00 SBOX ATOM 892 O4' GUA A 35 56.013 65.419 3.093 1.00 0.00 SBOX O ATOM 893 C1' GUA A 35 57.329 65.764 3.467 1.00 0.00 SBOX C ATOM 894 H1' GUA A 35 58.016 64.990 3.124 1.00 0.00 SBOX ATOM 895 N9 GUA A 35 57.837 67.017 2.892 1.00 0.00 SBOX N ATOM 896 C8 GUA A 35 57.133 68.019 2.407 1.00 0.00 SBOX C ATOM 897 H8 GUA A 35 56.056 68.003 2.328 1.00 0.00 SBOX ATOM 898 N7 GUA A 35 57.920 68.943 1.805 1.00 0.00 SBOX N ATOM 899 C5 GUA A 35 59.239 68.534 2.029 1.00 0.00 SBOX C ATOM 900 C6 GUA A 35 60.547 68.988 1.674 1.00 0.00 SBOX C ATOM 901 O6 GUA A 35 60.908 69.973 1.060 1.00 0.00 SBOX O ATOM 902 N1 GUA A 35 61.616 68.301 2.203 1.00 0.00 SBOX N ATOM 903 H1 GUA A 35 62.523 68.718 2.050 1.00 0.00 SBOX ATOM 904 C2 GUA A 35 61.406 67.219 2.931 1.00 0.00 SBOX C ATOM 905 N2 GUA A 35 62.525 66.689 3.404 1.00 0.00 SBOX N ATOM 906 H21 GUA A 35 63.382 67.222 3.429 1.00 0.00 SBOX ATOM 907 H22 GUA A 35 62.599 65.697 3.582 1.00 0.00 SBOX ATOM 908 N3 GUA A 35 60.273 66.636 3.235 1.00 0.00 SBOX N ATOM 909 C4 GUA A 35 59.172 67.338 2.716 1.00 0.00 SBOX C ATOM 910 C3' GUA A 35 56.033 65.734 5.446 1.00 0.00 SBOX C ATOM 911 H3' GUA A 35 55.838 66.790 5.631 1.00 0.00 SBOX ATOM 912 C2' GUA A 35 57.474 65.554 4.962 1.00 0.00 SBOX C ATOM 913 H2'' GUA A 35 58.163 66.192 5.516 1.00 0.00 SBOX ATOM 914 O2' GUA A 35 57.755 64.198 5.163 1.00 0.00 SBOX O ATOM 915 H2' GUA A 35 57.790 63.989 6.099 1.00 0.00 SBOX ATOM 916 O3' GUA A 35 55.740 65.045 6.625 1.00 0.00 SBOX O ATOM 917 P ADE A 36 56.501 65.105 7.979 1.00 0.00 SBOX P ATOM 918 O1P ADE A 36 57.498 66.252 7.965 1.00 0.00 SBOX ATOM 919 O2P ADE A 36 55.450 65.025 9.032 1.00 0.00 SBOX ATOM 920 O5' ADE A 36 57.344 63.741 8.003 1.00 0.00 SBOX O ATOM 921 C5' ADE A 36 56.782 62.437 8.128 1.00 0.00 SBOX C ATOM 922 H5' ADE A 36 56.411 62.175 7.137 1.00 0.00 SBOX ATOM 923 H5'' ADE A 36 55.946 62.488 8.826 1.00 0.00 SBOX ATOM 924 C4' ADE A 36 57.632 61.395 8.806 1.00 0.00 SBOX C ATOM 925 H4' ADE A 36 57.057 60.472 8.881 1.00 0.00 SBOX ATOM 926 O4' ADE A 36 58.642 61.048 7.987 1.00 0.00 SBOX O ATOM 927 C1' ADE A 36 59.822 61.027 8.729 1.00 0.00 SBOX C ATOM 928 H1' ADE A 36 60.425 60.132 8.577 1.00 0.00 SBOX ATOM 929 N9 ADE A 36 60.593 62.292 8.462 1.00 0.00 SBOX N ATOM 930 C8 ADE A 36 60.359 63.322 7.519 1.00 0.00 SBOX C ATOM 931 H8 ADE A 36 59.463 63.356 6.918 1.00 0.00 SBOX ATOM 932 N7 ADE A 36 61.133 64.358 7.562 1.00 0.00 SBOX N ATOM 933 C5 ADE A 36 62.133 63.867 8.438 1.00 0.00 SBOX C ATOM 934 C6 ADE A 36 63.347 64.411 8.860 1.00 0.00 SBOX C ATOM 935 N6 ADE A 36 63.650 65.673 8.648 1.00 0.00 SBOX N ATOM 936 H61 ADE A 36 64.589 65.996 8.831 1.00 0.00 SBOX ATOM 937 H62 ADE A 36 63.082 66.304 8.102 1.00 0.00 SBOX ATOM 938 N1 ADE A 36 64.100 63.801 9.740 1.00 0.00 SBOX N ATOM 939 C2 ADE A 36 63.681 62.671 10.189 1.00 0.00 SBOX C ATOM 940 H2 ADE A 36 64.321 62.260 10.955 1.00 0.00 SBOX ATOM 941 N3 ADE A 36 62.642 62.029 9.830 1.00 0.00 SBOX N ATOM 942 C4 ADE A 36 61.876 62.648 8.957 1.00 0.00 SBOX C ATOM 943 C3' ADE A 36 58.061 61.781 10.239 1.00 0.00 SBOX C ATOM 944 H3' ADE A 36 58.195 62.833 10.488 1.00 0.00 SBOX ATOM 945 C2' ADE A 36 59.431 61.098 10.210 1.00 0.00 SBOX C ATOM 946 H2'' ADE A 36 60.099 61.753 10.769 1.00 0.00 SBOX ATOM 947 O2' ADE A 36 59.301 59.666 10.542 1.00 0.00 SBOX O ATOM 948 H2' ADE A 36 59.132 59.623 11.486 1.00 0.00 SBOX ATOM 949 O3' ADE A 36 57.360 61.182 11.358 1.00 0.00 SBOX O ATOM 950 P ADE A 37 57.286 61.781 12.818 1.00 0.00 SBOX P ATOM 951 O1P ADE A 37 56.871 63.160 12.818 1.00 0.00 SBOX ATOM 952 O2P ADE A 37 56.612 60.849 13.666 1.00 0.00 SBOX ATOM 953 O5' ADE A 37 58.854 61.807 13.256 1.00 0.00 SBOX O ATOM 954 C5' ADE A 37 59.523 60.730 13.886 1.00 0.00 SBOX C ATOM 955 H5' ADE A 37 59.635 59.950 13.132 1.00 0.00 SBOX ATOM 956 H5'' ADE A 37 59.021 60.237 14.719 1.00 0.00 SBOX ATOM 957 C4' ADE A 37 60.940 61.095 14.280 1.00 0.00 SBOX C ATOM 958 H4' ADE A 37 61.468 60.189 14.578 1.00 0.00 SBOX ATOM 959 O4' ADE A 37 61.685 61.550 13.190 1.00 0.00 SBOX O ATOM 960 C1' ADE A 37 62.630 62.466 13.711 1.00 0.00 SBOX C ATOM 961 H1' ADE A 37 63.663 62.283 13.413 1.00 0.00 SBOX ATOM 962 N9 ADE A 37 62.379 63.734 13.029 1.00 0.00 SBOX N ATOM 963 C8 ADE A 37 61.235 64.201 12.471 1.00 0.00 SBOX C ATOM 964 H8 ADE A 37 60.256 63.773 12.627 1.00 0.00 SBOX ATOM 965 N7 ADE A 37 61.422 65.291 11.686 1.00 0.00 SBOX N ATOM 966 C5 ADE A 37 62.761 65.648 12.057 1.00 0.00 SBOX C ATOM 967 C6 ADE A 37 63.662 66.746 11.814 1.00 0.00 SBOX C ATOM 968 N6 ADE A 37 63.396 67.791 11.087 1.00 0.00 SBOX N ATOM 969 H61 ADE A 37 63.999 68.600 11.130 1.00 0.00 SBOX ATOM 970 H62 ADE A 37 62.430 67.973 10.853 1.00 0.00 SBOX ATOM 971 N1 ADE A 37 64.890 66.849 12.342 1.00 0.00 SBOX N ATOM 972 C2 ADE A 37 65.315 65.750 13.018 1.00 0.00 SBOX C ATOM 973 H2 ADE A 37 66.244 65.840 13.562 1.00 0.00 SBOX ATOM 974 N3 ADE A 37 64.576 64.720 13.346 1.00 0.00 SBOX N ATOM 975 C4 ADE A 37 63.300 64.680 12.774 1.00 0.00 SBOX C ATOM 976 C3' ADE A 37 60.976 62.135 15.447 1.00 0.00 SBOX C ATOM 977 H3' ADE A 37 60.275 62.959 15.311 1.00 0.00 SBOX ATOM 978 C2' ADE A 37 62.462 62.615 15.244 1.00 0.00 SBOX C ATOM 979 H2'' ADE A 37 62.518 63.654 15.567 1.00 0.00 SBOX ATOM 980 O2' ADE A 37 63.377 61.755 15.879 1.00 0.00 SBOX O ATOM 981 H2' ADE A 37 62.858 61.227 16.490 1.00 0.00 SBOX ATOM 982 O3' ADE A 37 60.948 61.446 16.721 1.00 0.00 SBOX O ATOM 983 P ADE A 38 60.215 62.081 17.912 1.00 0.00 SBOX P ATOM 984 O1P ADE A 38 58.874 62.352 17.423 1.00 0.00 SBOX ATOM 985 O2P ADE A 38 60.478 61.162 19.056 1.00 0.00 SBOX ATOM 986 O5' ADE A 38 61.007 63.429 18.063 1.00 0.00 SBOX O ATOM 987 C5' ADE A 38 62.308 63.481 18.639 1.00 0.00 SBOX C ATOM 988 H5' ADE A 38 62.974 62.868 18.030 1.00 0.00 SBOX ATOM 989 H5'' ADE A 38 62.221 63.117 19.662 1.00 0.00 SBOX ATOM 990 C4' ADE A 38 62.786 64.984 18.698 1.00 0.00 SBOX C ATOM 991 H4' ADE A 38 63.731 65.102 19.228 1.00 0.00 SBOX ATOM 992 O4' ADE A 38 63.000 65.346 17.393 1.00 0.00 SBOX O ATOM 993 C1' ADE A 38 62.608 66.656 17.223 1.00 0.00 SBOX C ATOM 994 H1' ADE A 38 63.424 67.290 16.877 1.00 0.00 SBOX ATOM 995 N9 ADE A 38 61.492 66.888 16.297 1.00 0.00 SBOX N ATOM 996 C8 ADE A 38 60.430 66.054 16.062 1.00 0.00 SBOX C ATOM 997 H8 ADE A 38 60.381 65.085 16.538 1.00 0.00 SBOX ATOM 998 N7 ADE A 38 59.749 66.294 14.997 1.00 0.00 SBOX N ATOM 999 C5 ADE A 38 60.253 67.575 14.657 1.00 0.00 SBOX C ATOM 1000 C6 ADE A 38 59.844 68.534 13.722 1.00 0.00 SBOX C ATOM 1001 N6 ADE A 38 58.766 68.525 12.906 1.00 0.00 SBOX N ATOM 1002 H61 ADE A 38 58.768 69.225 12.178 1.00 0.00 SBOX ATOM 1003 H62 ADE A 38 58.129 67.743 12.847 1.00 0.00 SBOX ATOM 1004 N1 ADE A 38 60.509 69.730 13.598 1.00 0.00 SBOX N ATOM 1005 C2 ADE A 38 61.562 69.898 14.419 1.00 0.00 SBOX C ATOM 1006 H2 ADE A 38 62.067 70.852 14.369 1.00 0.00 SBOX ATOM 1007 N3 ADE A 38 61.985 69.090 15.314 1.00 0.00 SBOX N ATOM 1008 C4 ADE A 38 61.313 67.914 15.426 1.00 0.00 SBOX C ATOM 1009 C3' ADE A 38 61.808 65.930 19.353 1.00 0.00 SBOX C ATOM 1010 H3' ADE A 38 60.759 65.758 19.111 1.00 0.00 SBOX ATOM 1011 C2' ADE A 38 62.259 67.216 18.603 1.00 0.00 SBOX C ATOM 1012 H2'' ADE A 38 61.439 67.928 18.517 1.00 0.00 SBOX ATOM 1013 O2' ADE A 38 63.502 67.774 19.068 1.00 0.00 SBOX O ATOM 1014 H2' ADE A 38 63.579 67.316 19.908 1.00 0.00 SBOX ATOM 1015 O3' ADE A 38 62.017 65.991 20.709 1.00 0.00 SBOX O ATOM 1016 P CYT A 39 60.951 66.754 21.679 1.00 0.00 SBOX P ATOM 1017 O1P CYT A 39 59.667 66.244 21.217 1.00 0.00 SBOX ATOM 1018 O2P CYT A 39 61.411 66.465 23.039 1.00 0.00 SBOX ATOM 1019 O5' CYT A 39 61.044 68.327 21.283 1.00 0.00 SBOX O ATOM 1020 C5' CYT A 39 62.110 69.107 21.746 1.00 0.00 SBOX C ATOM 1021 H5' CYT A 39 63.108 68.719 21.539 1.00 0.00 SBOX ATOM 1022 H5'' CYT A 39 62.106 69.151 22.836 1.00 0.00 SBOX ATOM 1023 C4' CYT A 39 61.854 70.485 21.155 1.00 0.00 SBOX C ATOM 1024 H4' CYT A 39 62.610 71.231 21.402 1.00 0.00 SBOX ATOM 1025 O4' CYT A 39 61.879 70.413 19.743 1.00 0.00 SBOX O ATOM 1026 C1' CYT A 39 61.111 71.448 19.243 1.00 0.00 SBOX C ATOM 1027 H1' CYT A 39 61.809 72.106 18.724 1.00 0.00 SBOX ATOM 1028 N1 CYT A 39 59.976 70.959 18.448 1.00 0.00 SBOX N ATOM 1029 C6 CYT A 39 59.410 69.705 18.632 1.00 0.00 SBOX C ATOM 1030 H6 CYT A 39 59.760 69.022 19.392 1.00 0.00 SBOX ATOM 1031 C5 CYT A 39 58.538 69.235 17.736 1.00 0.00 SBOX C ATOM 1032 H5 CYT A 39 58.232 68.199 17.723 1.00 0.00 SBOX ATOM 1033 C4 CYT A 39 58.203 70.102 16.647 1.00 0.00 SBOX C ATOM 1034 N4 CYT A 39 57.431 69.581 15.765 1.00 0.00 SBOX N ATOM 1035 H41 CYT A 39 56.997 70.191 15.087 1.00 0.00 SBOX ATOM 1036 H42 CYT A 39 57.134 68.619 15.837 1.00 0.00 SBOX ATOM 1037 N3 CYT A 39 58.602 71.323 16.475 1.00 0.00 SBOX N ATOM 1038 C2 CYT A 39 59.519 71.741 17.388 1.00 0.00 SBOX C ATOM 1039 O2 CYT A 39 59.892 72.944 17.272 1.00 0.00 SBOX O ATOM 1040 C3' CYT A 39 60.581 71.145 21.537 1.00 0.00 SBOX C ATOM 1041 H3' CYT A 39 59.757 70.446 21.392 1.00 0.00 SBOX ATOM 1042 C2' CYT A 39 60.582 72.270 20.431 1.00 0.00 SBOX C ATOM 1043 H2'' CYT A 39 59.594 72.674 20.213 1.00 0.00 SBOX ATOM 1044 O2' CYT A 39 61.527 73.272 20.639 1.00 0.00 SBOX O ATOM 1045 H2' CYT A 39 61.404 73.538 21.553 1.00 0.00 SBOX ATOM 1046 O3' CYT A 39 60.571 71.787 22.800 1.00 0.00 SBOX O ATOM 1047 P CYT A 40 59.068 71.890 23.516 1.00 0.00 SBOX P ATOM 1048 O1P CYT A 40 58.392 70.572 23.433 1.00 0.00 SBOX ATOM 1049 O2P CYT A 40 59.408 72.537 24.788 1.00 0.00 SBOX ATOM 1050 O5' CYT A 40 58.204 72.960 22.686 1.00 0.00 SBOX O ATOM 1051 C5' CYT A 40 58.492 74.339 22.699 1.00 0.00 SBOX C ATOM 1052 H5' CYT A 40 59.513 74.566 22.393 1.00 0.00 SBOX ATOM 1053 H5'' CYT A 40 58.242 74.719 23.690 1.00 0.00 SBOX ATOM 1054 C4' CYT A 40 57.628 75.127 21.738 1.00 0.00 SBOX C ATOM 1055 H4' CYT A 40 57.911 76.178 21.813 1.00 0.00 SBOX ATOM 1056 O4' CYT A 40 57.799 74.693 20.406 1.00 0.00 SBOX O ATOM 1057 C1' CYT A 40 56.578 74.885 19.674 1.00 0.00 SBOX C ATOM 1058 H1' CYT A 40 56.686 75.645 18.900 1.00 0.00 SBOX ATOM 1059 N1 CYT A 40 56.008 73.584 19.069 1.00 0.00 SBOX N ATOM 1060 C6 CYT A 40 56.228 72.362 19.688 1.00 0.00 SBOX C ATOM 1061 H6 CYT A 40 56.845 72.355 20.575 1.00 0.00 SBOX ATOM 1062 C5 CYT A 40 55.675 71.284 19.186 1.00 0.00 SBOX C ATOM 1063 H5 CYT A 40 55.698 70.354 19.735 1.00 0.00 SBOX ATOM 1064 C4 CYT A 40 55.006 71.349 17.966 1.00 0.00 SBOX C ATOM 1065 N4 CYT A 40 54.702 70.251 17.348 1.00 0.00 SBOX N ATOM 1066 H41 CYT A 40 54.238 70.337 16.455 1.00 0.00 SBOX ATOM 1067 H42 CYT A 40 55.018 69.366 17.719 1.00 0.00 SBOX ATOM 1068 N3 CYT A 40 54.624 72.529 17.384 1.00 0.00 SBOX N ATOM 1069 C2 CYT A 40 55.119 73.627 17.958 1.00 0.00 SBOX C ATOM 1070 O2 CYT A 40 54.746 74.730 17.560 1.00 0.00 SBOX O ATOM 1071 C3' CYT A 40 56.104 75.080 21.982 1.00 0.00 SBOX C ATOM 1072 H3' CYT A 40 55.705 74.067 22.038 1.00 0.00 SBOX ATOM 1073 C2' CYT A 40 55.595 75.586 20.659 1.00 0.00 SBOX C ATOM 1074 H2'' CYT A 40 54.544 75.319 20.543 1.00 0.00 SBOX ATOM 1075 O2' CYT A 40 55.655 76.989 20.482 1.00 0.00 SBOX O ATOM 1076 H2' CYT A 40 55.064 77.174 19.748 1.00 0.00 SBOX ATOM 1077 O3' CYT A 40 55.768 75.986 23.027 1.00 0.00 SBOX O ATOM 1078 P CYT A 41 54.421 76.017 23.822 1.00 0.00 SBOX P ATOM 1079 O1P CYT A 41 54.328 74.782 24.583 1.00 0.00 SBOX ATOM 1080 O2P CYT A 41 54.369 77.239 24.554 1.00 0.00 SBOX ATOM 1081 O5' CYT A 41 53.133 75.953 22.927 1.00 0.00 SBOX O ATOM 1082 C5' CYT A 41 52.696 77.077 22.220 1.00 0.00 SBOX C ATOM 1083 H5' CYT A 41 53.594 77.402 21.695 1.00 0.00 SBOX ATOM 1084 H5'' CYT A 41 52.305 77.817 22.918 1.00 0.00 SBOX ATOM 1085 C4' CYT A 41 51.747 76.816 21.029 1.00 0.00 SBOX C ATOM 1086 H4' CYT A 41 51.564 77.807 20.613 1.00 0.00 SBOX ATOM 1087 O4' CYT A 41 52.474 76.038 20.083 1.00 0.00 SBOX O ATOM 1088 C1' CYT A 41 51.633 75.237 19.294 1.00 0.00 SBOX C ATOM 1089 H1' CYT A 41 51.723 75.488 18.237 1.00 0.00 SBOX ATOM 1090 N1 CYT A 41 51.936 73.832 19.557 1.00 0.00 SBOX N ATOM 1091 C6 CYT A 41 52.534 73.289 20.683 1.00 0.00 SBOX C ATOM 1092 H6 CYT A 41 52.860 73.936 21.484 1.00 0.00 SBOX ATOM 1093 C5 CYT A 41 52.644 71.917 20.780 1.00 0.00 SBOX C ATOM 1094 H5 CYT A 41 53.000 71.413 21.666 1.00 0.00 SBOX ATOM 1095 C4 CYT A 41 52.124 71.176 19.679 1.00 0.00 SBOX C ATOM 1096 N4 CYT A 41 52.068 69.912 19.750 1.00 0.00 SBOX N ATOM 1097 H41 CYT A 41 51.570 69.410 19.029 1.00 0.00 SBOX ATOM 1098 H42 CYT A 41 52.229 69.468 20.643 1.00 0.00 SBOX ATOM 1099 N3 CYT A 41 51.575 71.645 18.635 1.00 0.00 SBOX N ATOM 1100 C2 CYT A 41 51.449 72.935 18.574 1.00 0.00 SBOX C ATOM 1101 O2 CYT A 41 50.611 73.221 17.646 1.00 0.00 SBOX O ATOM 1102 C3' CYT A 41 50.427 76.063 21.270 1.00 0.00 SBOX C ATOM 1103 H3' CYT A 41 50.543 75.162 21.873 1.00 0.00 SBOX ATOM 1104 C2' CYT A 41 50.191 75.602 19.774 1.00 0.00 SBOX C ATOM 1105 H2'' CYT A 41 49.586 74.701 19.669 1.00 0.00 SBOX ATOM 1106 O2' CYT A 41 49.606 76.694 18.947 1.00 0.00 SBOX O ATOM 1107 H2' CYT A 41 50.315 77.307 18.742 1.00 0.00 SBOX ATOM 1108 O3' CYT A 41 49.484 76.858 21.906 1.00 0.00 SBOX O ATOM 1109 P GUA A 42 48.184 76.318 22.636 1.00 0.00 SBOX P ATOM 1110 O1P GUA A 42 48.521 75.451 23.755 1.00 0.00 SBOX ATOM 1111 O2P GUA A 42 47.372 77.505 22.943 1.00 0.00 SBOX ATOM 1112 O5' GUA A 42 47.355 75.432 21.637 1.00 0.00 SBOX O ATOM 1113 C5' GUA A 42 46.439 75.960 20.567 1.00 0.00 SBOX C ATOM 1114 H5' GUA A 42 46.939 76.638 19.876 1.00 0.00 SBOX ATOM 1115 H5'' GUA A 42 45.690 76.554 21.091 1.00 0.00 SBOX ATOM 1116 C4' GUA A 42 45.823 74.892 19.668 1.00 0.00 SBOX C ATOM 1117 H4' GUA A 42 45.154 75.278 18.899 1.00 0.00 SBOX ATOM 1118 O4' GUA A 42 46.861 74.113 19.114 1.00 0.00 SBOX O ATOM 1119 C1' GUA A 42 46.548 72.653 19.160 1.00 0.00 SBOX C ATOM 1120 H1' GUA A 42 46.583 72.084 18.231 1.00 0.00 SBOX ATOM 1121 N9 GUA A 42 47.462 71.904 20.063 1.00 0.00 SBOX N ATOM 1122 C8 GUA A 42 48.329 72.429 20.976 1.00 0.00 SBOX C ATOM 1123 H8 GUA A 42 48.445 73.498 21.076 1.00 0.00 SBOX ATOM 1124 N7 GUA A 42 48.936 71.534 21.686 1.00 0.00 SBOX N ATOM 1125 C5 GUA A 42 48.552 70.269 21.219 1.00 0.00 SBOX C ATOM 1126 C6 GUA A 42 48.974 68.886 21.474 1.00 0.00 SBOX C ATOM 1127 O6 GUA A 42 49.794 68.434 22.239 1.00 0.00 SBOX O ATOM 1128 N1 GUA A 42 48.378 68.060 20.575 1.00 0.00 SBOX N ATOM 1129 H1 GUA A 42 48.570 67.102 20.829 1.00 0.00 SBOX ATOM 1130 C2 GUA A 42 47.369 68.368 19.730 1.00 0.00 SBOX C ATOM 1131 N2 GUA A 42 46.714 67.359 19.227 1.00 0.00 SBOX N ATOM 1132 H21 GUA A 42 47.081 66.428 19.362 1.00 0.00 SBOX ATOM 1133 H22 GUA A 42 45.983 67.540 18.555 1.00 0.00 SBOX ATOM 1134 N3 GUA A 42 47.010 69.582 19.443 1.00 0.00 SBOX N ATOM 1135 C4 GUA A 42 47.659 70.537 20.178 1.00 0.00 SBOX C ATOM 1136 C3' GUA A 42 44.996 73.829 20.495 1.00 0.00 SBOX C ATOM 1137 H3' GUA A 42 45.583 73.657 21.398 1.00 0.00 SBOX ATOM 1138 C2' GUA A 42 45.112 72.561 19.703 1.00 0.00 SBOX C ATOM 1139 H2'' GUA A 42 44.961 71.707 20.363 1.00 0.00 SBOX ATOM 1140 O2' GUA A 42 44.206 72.548 18.517 1.00 0.00 SBOX O ATOM 1141 H2' GUA A 42 44.194 71.681 18.105 1.00 0.00 SBOX ATOM 1142 O3' GUA A 42 43.716 74.278 20.761 1.00 0.00 SBOX O ATOM 1143 P GUA A 43 42.838 73.601 21.886 1.00 0.00 SBOX P ATOM 1144 O1P GUA A 43 43.413 73.869 23.172 1.00 0.00 SBOX ATOM 1145 O2P GUA A 43 41.477 74.129 21.580 1.00 0.00 SBOX ATOM 1146 O5' GUA A 43 42.765 71.990 21.729 1.00 0.00 SBOX O ATOM 1147 C5' GUA A 43 42.100 71.348 20.660 1.00 0.00 SBOX C ATOM 1148 H5' GUA A 43 42.349 71.831 19.715 1.00 0.00 SBOX ATOM 1149 H5'' GUA A 43 41.038 71.589 20.702 1.00 0.00 SBOX ATOM 1150 C4' GUA A 43 42.312 69.870 20.698 1.00 0.00 SBOX C ATOM 1151 H4' GUA A 43 41.687 69.445 19.914 1.00 0.00 SBOX ATOM 1152 O4' GUA A 43 43.727 69.492 20.421 1.00 0.00 SBOX O ATOM 1153 C1' GUA A 43 43.980 68.316 21.082 1.00 0.00 SBOX C ATOM 1154 H1' GUA A 43 44.375 67.606 20.355 1.00 0.00 SBOX ATOM 1155 N9 GUA A 43 45.031 68.429 22.079 1.00 0.00 SBOX N ATOM 1156 C8 GUA A 43 45.503 69.664 22.538 1.00 0.00 SBOX C ATOM 1157 H8 GUA A 43 44.966 70.593 22.412 1.00 0.00 SBOX ATOM 1158 N7 GUA A 43 46.483 69.506 23.460 1.00 0.00 SBOX N ATOM 1159 C5 GUA A 43 46.701 68.121 23.514 1.00 0.00 SBOX C ATOM 1160 C6 GUA A 43 47.692 67.332 24.188 1.00 0.00 SBOX C ATOM 1161 O6 GUA A 43 48.601 67.598 24.933 1.00 0.00 SBOX O ATOM 1162 N1 GUA A 43 47.576 66.008 23.938 1.00 0.00 SBOX N ATOM 1163 H1 GUA A 43 48.115 65.434 24.571 1.00 0.00 SBOX ATOM 1164 C2 GUA A 43 46.634 65.436 23.149 1.00 0.00 SBOX C ATOM 1165 N2 GUA A 43 46.803 64.153 22.985 1.00 0.00 SBOX N ATOM 1166 H21 GUA A 43 47.626 63.767 23.424 1.00 0.00 SBOX ATOM 1167 H22 GUA A 43 46.264 63.617 22.320 1.00 0.00 SBOX ATOM 1168 N3 GUA A 43 45.811 66.108 22.355 1.00 0.00 SBOX N ATOM 1169 C4 GUA A 43 45.862 67.471 22.579 1.00 0.00 SBOX C ATOM 1170 C3' GUA A 43 41.848 69.106 21.925 1.00 0.00 SBOX C ATOM 1171 H3' GUA A 43 42.134 69.693 22.798 1.00 0.00 SBOX ATOM 1172 C2' GUA A 43 42.733 67.865 21.770 1.00 0.00 SBOX C ATOM 1173 H2'' GUA A 43 42.859 67.485 22.784 1.00 0.00 SBOX ATOM 1174 O2' GUA A 43 42.300 66.769 20.905 1.00 0.00 SBOX O ATOM 1175 H2' GUA A 43 42.858 66.010 21.084 1.00 0.00 SBOX ATOM 1176 O3' GUA A 43 40.483 68.735 21.939 1.00 0.00 SBOX O ATOM 1177 P CYT A 44 39.738 68.142 23.230 1.00 0.00 SBOX P ATOM 1178 O1P CYT A 44 40.026 68.998 24.370 1.00 0.00 SBOX ATOM 1179 O2P CYT A 44 38.353 68.057 22.760 1.00 0.00 SBOX ATOM 1180 O5' CYT A 44 40.292 66.680 23.549 1.00 0.00 SBOX O ATOM 1181 C5' CYT A 44 39.943 65.582 22.681 1.00 0.00 SBOX C ATOM 1182 H5' CYT A 44 39.917 65.821 21.618 1.00 0.00 SBOX ATOM 1183 H5'' CYT A 44 38.917 65.282 22.895 1.00 0.00 SBOX ATOM 1184 C4' CYT A 44 40.846 64.289 22.911 1.00 0.00 SBOX C ATOM 1185 H4' CYT A 44 40.587 63.539 22.164 1.00 0.00 SBOX ATOM 1186 O4' CYT A 44 42.199 64.685 22.968 1.00 0.00 SBOX O ATOM 1187 C1' CYT A 44 42.923 63.757 23.858 1.00 0.00 SBOX C ATOM 1188 H1' CYT A 44 43.724 63.266 23.304 1.00 0.00 SBOX ATOM 1189 N1 CYT A 44 43.595 64.530 24.954 1.00 0.00 SBOX N ATOM 1190 C6 CYT A 44 43.312 65.826 25.218 1.00 0.00 SBOX C ATOM 1191 H6 CYT A 44 42.423 66.291 24.819 1.00 0.00 SBOX ATOM 1192 C5 CYT A 44 44.241 66.586 25.755 1.00 0.00 SBOX C ATOM 1193 H5 CYT A 44 44.252 67.666 25.767 1.00 0.00 SBOX ATOM 1194 C4 CYT A 44 45.399 65.994 26.273 1.00 0.00 SBOX C ATOM 1195 N4 CYT A 44 46.253 66.718 26.941 1.00 0.00 SBOX N ATOM 1196 H41 CYT A 44 46.987 66.201 27.404 1.00 0.00 SBOX ATOM 1197 H42 CYT A 44 46.246 67.725 26.866 1.00 0.00 SBOX ATOM 1198 N3 CYT A 44 45.536 64.615 26.360 1.00 0.00 SBOX N ATOM 1199 C2 CYT A 44 44.636 63.903 25.633 1.00 0.00 SBOX C ATOM 1200 O2 CYT A 44 44.737 62.649 25.610 1.00 0.00 SBOX O ATOM 1201 C3' CYT A 44 40.558 63.693 24.363 1.00 0.00 SBOX C ATOM 1202 H3' CYT A 44 40.503 64.541 25.045 1.00 0.00 SBOX ATOM 1203 C2' CYT A 44 41.871 62.806 24.423 1.00 0.00 SBOX C ATOM 1204 H2'' CYT A 44 42.028 62.670 25.494 1.00 0.00 SBOX ATOM 1205 O2' CYT A 44 41.953 61.641 23.644 1.00 0.00 SBOX O ATOM 1206 H2' CYT A 44 42.814 61.233 23.765 1.00 0.00 SBOX ATOM 1207 O3' CYT A 44 39.360 62.823 24.416 1.00 0.00 SBOX O ATOM 1208 P ADE A 45 38.625 62.312 25.762 1.00 0.00 SBOX P ATOM 1209 O1P ADE A 45 38.364 63.566 26.585 1.00 0.00 SBOX ATOM 1210 O2P ADE A 45 37.518 61.385 25.472 1.00 0.00 SBOX ATOM 1211 O5' ADE A 45 39.756 61.575 26.637 1.00 0.00 SBOX O ATOM 1212 C5' ADE A 45 40.367 60.286 26.522 1.00 0.00 SBOX C ATOM 1213 H5' ADE A 45 40.866 60.130 25.566 1.00 0.00 SBOX ATOM 1214 H5'' ADE A 45 39.672 59.462 26.686 1.00 0.00 SBOX ATOM 1215 C4' ADE A 45 41.523 60.100 27.581 1.00 0.00 SBOX C ATOM 1216 H4' ADE A 45 41.874 59.069 27.583 1.00 0.00 SBOX ATOM 1217 O4' ADE A 45 42.464 61.070 27.442 1.00 0.00 SBOX O ATOM 1218 C1' ADE A 45 43.163 61.392 28.622 1.00 0.00 SBOX C ATOM 1219 H1' ADE A 45 44.210 61.091 28.595 1.00 0.00 SBOX ATOM 1220 N9 ADE A 45 42.850 62.829 28.803 1.00 0.00 SBOX N ATOM 1221 C8 ADE A 45 41.766 63.585 28.418 1.00 0.00 SBOX C ATOM 1222 H8 ADE A 45 40.850 63.237 27.964 1.00 0.00 SBOX ATOM 1223 N7 ADE A 45 41.979 64.883 28.623 1.00 0.00 SBOX N ATOM 1224 C5 ADE A 45 43.273 64.966 29.170 1.00 0.00 SBOX C ATOM 1225 C6 ADE A 45 44.228 65.983 29.475 1.00 0.00 SBOX C ATOM 1226 N6 ADE A 45 44.111 67.326 29.390 1.00 0.00 SBOX N ATOM 1227 H61 ADE A 45 44.834 67.975 29.664 1.00 0.00 SBOX ATOM 1228 H62 ADE A 45 43.264 67.677 28.967 1.00 0.00 SBOX ATOM 1229 N1 ADE A 45 45.428 65.619 30.009 1.00 0.00 SBOX N ATOM 1230 C2 ADE A 45 45.751 64.355 30.155 1.00 0.00 SBOX C ATOM 1231 H2 ADE A 45 46.762 64.124 30.457 1.00 0.00 SBOX ATOM 1232 N3 ADE A 45 45.049 63.324 29.768 1.00 0.00 SBOX N ATOM 1233 C4 ADE A 45 43.773 63.670 29.345 1.00 0.00 SBOX C ATOM 1234 C3' ADE A 45 41.075 60.276 29.041 1.00 0.00 SBOX C ATOM 1235 H3' ADE A 45 40.460 61.156 29.231 1.00 0.00 SBOX ATOM 1236 C2' ADE A 45 42.446 60.613 29.663 1.00 0.00 SBOX C ATOM 1237 H2'' ADE A 45 42.217 61.209 30.547 1.00 0.00 SBOX ATOM 1238 O2' ADE A 45 43.149 59.483 29.959 1.00 0.00 SBOX O ATOM 1239 H2' ADE A 45 43.828 59.646 30.617 1.00 0.00 SBOX ATOM 1240 O3' ADE A 45 40.571 59.137 29.598 1.00 0.00 SBOX O ATOM 1241 P ADE A 46 39.709 59.185 30.902 1.00 0.00 SBOX P ATOM 1242 O1P ADE A 46 38.994 60.449 30.866 1.00 0.00 SBOX ATOM 1243 O2P ADE A 46 38.904 57.926 31.045 1.00 0.00 SBOX ATOM 1244 O5' ADE A 46 40.598 59.430 32.208 1.00 0.00 SBOX O ATOM 1245 C5' ADE A 46 41.647 58.544 32.597 1.00 0.00 SBOX C ATOM 1246 H5' ADE A 46 42.289 58.173 31.797 1.00 0.00 SBOX ATOM 1247 H5'' ADE A 46 41.191 57.744 33.181 1.00 0.00 SBOX ATOM 1248 C4' ADE A 46 42.540 59.103 33.766 1.00 0.00 SBOX C ATOM 1249 H4' ADE A 46 43.365 58.479 34.107 1.00 0.00 SBOX ATOM 1250 O4' ADE A 46 43.051 60.274 33.300 1.00 0.00 SBOX O ATOM 1251 C1' ADE A 46 42.587 61.456 34.087 1.00 0.00 SBOX C ATOM 1252 H1' ADE A 46 43.381 62.025 34.571 1.00 0.00 SBOX ATOM 1253 N9 ADE A 46 41.969 62.492 33.198 1.00 0.00 SBOX N ATOM 1254 C8 ADE A 46 40.683 62.574 32.666 1.00 0.00 SBOX C ATOM 1255 H8 ADE A 46 39.888 61.846 32.747 1.00 0.00 SBOX ATOM 1256 N7 ADE A 46 40.322 63.775 32.185 1.00 0.00 SBOX N ATOM 1257 C5 ADE A 46 41.455 64.568 32.439 1.00 0.00 SBOX C ATOM 1258 C6 ADE A 46 41.963 65.886 32.257 1.00 0.00 SBOX C ATOM 1259 N6 ADE A 46 41.347 66.828 31.702 1.00 0.00 SBOX N ATOM 1260 H61 ADE A 46 41.727 67.762 31.760 1.00 0.00 SBOX ATOM 1261 H62 ADE A 46 40.428 66.596 31.353 1.00 0.00 SBOX ATOM 1262 N1 ADE A 46 43.140 66.382 32.794 1.00 0.00 SBOX N ATOM 1263 C2 ADE A 46 43.900 65.496 33.480 1.00 0.00 SBOX C ATOM 1264 H2 ADE A 46 44.828 65.924 33.829 1.00 0.00 SBOX ATOM 1265 N3 ADE A 46 43.710 64.179 33.547 1.00 0.00 SBOX N ATOM 1266 C4 ADE A 46 42.435 63.821 33.040 1.00 0.00 SBOX C ATOM 1267 C3' ADE A 46 41.683 59.493 34.920 1.00 0.00 SBOX C ATOM 1268 H3' ADE A 46 40.646 59.324 34.629 1.00 0.00 SBOX ATOM 1269 C2' ADE A 46 41.741 61.009 35.199 1.00 0.00 SBOX C ATOM 1270 H2'' ADE A 46 40.761 61.483 35.141 1.00 0.00 SBOX ATOM 1271 O2' ADE A 46 42.501 61.354 36.331 1.00 0.00 SBOX O ATOM 1272 H2' ADE A 46 42.589 60.596 36.913 1.00 0.00 SBOX ATOM 1273 O3' ADE A 46 41.757 58.901 36.263 1.00 0.00 SBOX O ATOM 1274 P CYT A 47 42.363 57.488 36.562 1.00 0.00 SBOX P ATOM 1275 O1P CYT A 47 41.716 57.102 37.835 1.00 0.00 SBOX ATOM 1276 O2P CYT A 47 42.090 56.585 35.436 1.00 0.00 SBOX ATOM 1277 O5' CYT A 47 43.952 57.531 36.848 1.00 0.00 SBOX O ATOM 1278 C5' CYT A 47 44.660 56.370 37.335 1.00 0.00 SBOX C ATOM 1279 H5' CYT A 47 44.523 55.493 36.703 1.00 0.00 SBOX ATOM 1280 H5'' CYT A 47 44.254 56.132 38.318 1.00 0.00 SBOX ATOM 1281 C4' CYT A 47 46.185 56.682 37.468 1.00 0.00 SBOX C ATOM 1282 H4' CYT A 47 46.724 55.779 37.755 1.00 0.00 SBOX ATOM 1283 O4' CYT A 47 46.920 57.187 36.353 1.00 0.00 SBOX O ATOM 1284 C1' CYT A 47 47.856 58.160 36.764 1.00 0.00 SBOX C ATOM 1285 H1' CYT A 47 48.842 57.903 36.376 1.00 0.00 SBOX ATOM 1286 N1 CYT A 47 47.472 59.491 36.161 1.00 0.00 SBOX N ATOM 1287 C6 CYT A 47 46.354 59.620 35.401 1.00 0.00 SBOX C ATOM 1288 H6 CYT A 47 45.737 58.752 35.222 1.00 0.00 SBOX ATOM 1289 C5 CYT A 47 46.068 60.771 34.747 1.00 0.00 SBOX C ATOM 1290 H5 CYT A 47 45.158 60.915 34.182 1.00 0.00 SBOX ATOM 1291 C4 CYT A 47 46.966 61.868 34.876 1.00 0.00 SBOX C ATOM 1292 N4 CYT A 47 46.634 63.021 34.418 1.00 0.00 SBOX N ATOM 1293 H41 CYT A 47 47.323 63.750 34.537 1.00 0.00 SBOX ATOM 1294 H42 CYT A 47 45.756 63.193 33.950 1.00 0.00 SBOX ATOM 1295 N3 CYT A 47 47.977 61.811 35.666 1.00 0.00 SBOX N ATOM 1296 C2 CYT A 47 48.267 60.633 36.381 1.00 0.00 SBOX C ATOM 1297 O2 CYT A 47 49.200 60.621 37.148 1.00 0.00 SBOX O ATOM 1298 C3' CYT A 47 46.417 57.626 38.599 1.00 0.00 SBOX C ATOM 1299 H3' CYT A 47 45.834 58.538 38.476 1.00 0.00 SBOX ATOM 1300 C2' CYT A 47 47.841 58.093 38.293 1.00 0.00 SBOX C ATOM 1301 H2'' CYT A 47 48.200 59.084 38.572 1.00 0.00 SBOX ATOM 1302 O2' CYT A 47 48.772 57.035 38.728 1.00 0.00 SBOX O ATOM 1303 H2' CYT A 47 49.632 57.443 38.852 1.00 0.00 SBOX ATOM 1304 O3' CYT A 47 46.277 57.042 39.860 1.00 0.00 SBOX O ATOM 1305 P CYT A 48 45.614 57.817 41.164 1.00 0.00 SBOX P ATOM 1306 O1P CYT A 48 44.340 58.468 40.780 1.00 0.00 SBOX ATOM 1307 O2P CYT A 48 45.636 56.872 42.247 1.00 0.00 SBOX ATOM 1308 O5' CYT A 48 46.681 58.918 41.593 1.00 0.00 SBOX O ATOM 1309 C5' CYT A 48 47.981 58.512 42.082 1.00 0.00 SBOX C ATOM 1310 H5' CYT A 48 48.416 57.869 41.317 1.00 0.00 SBOX ATOM 1311 H5'' CYT A 48 47.927 57.994 43.040 1.00 0.00 SBOX ATOM 1312 C4' CYT A 48 49.002 59.595 42.164 1.00 0.00 SBOX C ATOM 1313 H4' CYT A 48 49.802 59.062 42.677 1.00 0.00 SBOX ATOM 1314 O4' CYT A 48 49.396 60.087 40.870 1.00 0.00 SBOX O ATOM 1315 C1' CYT A 48 49.517 61.568 40.931 1.00 0.00 SBOX C ATOM 1316 H1' CYT A 48 50.508 61.790 40.534 1.00 0.00 SBOX ATOM 1317 N1 CYT A 48 48.499 62.337 40.133 1.00 0.00 SBOX N ATOM 1318 C6 CYT A 48 47.325 61.759 39.780 1.00 0.00 SBOX C ATOM 1319 H6 CYT A 48 47.030 60.763 40.076 1.00 0.00 SBOX ATOM 1320 C5 CYT A 48 46.551 62.412 38.921 1.00 0.00 SBOX C ATOM 1321 H5 CYT A 48 45.621 62.045 38.511 1.00 0.00 SBOX ATOM 1322 C4 CYT A 48 46.928 63.671 38.458 1.00 0.00 SBOX C ATOM 1323 N4 CYT A 48 46.042 64.325 37.742 1.00 0.00 SBOX N ATOM 1324 H41 CYT A 48 46.259 65.301 37.599 1.00 0.00 SBOX ATOM 1325 H42 CYT A 48 45.149 63.916 37.507 1.00 0.00 SBOX ATOM 1326 N3 CYT A 48 47.980 64.305 38.871 1.00 0.00 SBOX N ATOM 1327 C2 CYT A 48 48.738 63.673 39.800 1.00 0.00 SBOX C ATOM 1328 O2 CYT A 48 49.641 64.278 40.388 1.00 0.00 SBOX O ATOM 1329 C3' CYT A 48 48.544 60.805 42.901 1.00 0.00 SBOX C ATOM 1330 H3' CYT A 48 47.519 60.930 42.553 1.00 0.00 SBOX ATOM 1331 C2' CYT A 48 49.490 61.867 42.418 1.00 0.00 SBOX C ATOM 1332 H2'' CYT A 48 49.171 62.889 42.621 1.00 0.00 SBOX ATOM 1333 O2' CYT A 48 50.781 61.580 42.823 1.00 0.00 SBOX O ATOM 1334 H2' CYT A 48 51.395 62.168 42.376 1.00 0.00 SBOX ATOM 1335 O3' CYT A 48 48.524 60.517 44.259 1.00 0.00 SBOX O ATOM 1336 P ADE A 49 47.638 61.331 45.285 1.00 0.00 SBOX P ATOM 1337 O1P ADE A 49 46.229 61.339 44.967 1.00 0.00 SBOX ATOM 1338 O2P ADE A 49 48.114 60.829 46.593 1.00 0.00 SBOX ATOM 1339 O5' ADE A 49 48.161 62.852 45.150 1.00 0.00 SBOX O ATOM 1340 C5' ADE A 49 49.440 63.298 45.571 1.00 0.00 SBOX C ATOM 1341 H5' ADE A 49 50.218 62.642 45.179 1.00 0.00 SBOX ATOM 1342 H5'' ADE A 49 49.634 63.277 46.643 1.00 0.00 SBOX ATOM 1343 C4' ADE A 49 49.705 64.787 45.143 1.00 0.00 SBOX C ATOM 1344 H4' ADE A 49 50.600 65.136 45.658 1.00 0.00 SBOX ATOM 1345 O4' ADE A 49 49.841 65.147 43.803 1.00 0.00 SBOX O ATOM 1346 C1' ADE A 49 49.156 66.355 43.602 1.00 0.00 SBOX C ATOM 1347 H1' ADE A 49 49.719 67.119 43.066 1.00 0.00 SBOX ATOM 1348 N9 ADE A 49 48.012 66.125 42.772 1.00 0.00 SBOX N ATOM 1349 C8 ADE A 49 47.418 64.909 42.621 1.00 0.00 SBOX C ATOM 1350 H8 ADE A 49 47.726 63.991 43.099 1.00 0.00 SBOX ATOM 1351 N7 ADE A 49 46.366 64.925 41.841 1.00 0.00 SBOX N ATOM 1352 C5 ADE A 49 46.328 66.246 41.489 1.00 0.00 SBOX C ATOM 1353 C6 ADE A 49 45.483 66.991 40.630 1.00 0.00 SBOX C ATOM 1354 N6 ADE A 49 44.571 66.469 39.840 1.00 0.00 SBOX N ATOM 1355 H61 ADE A 49 44.157 67.069 39.141 1.00 0.00 SBOX ATOM 1356 H62 ADE A 49 44.257 65.515 39.947 1.00 0.00 SBOX ATOM 1357 N1 ADE A 49 45.731 68.321 40.403 1.00 0.00 SBOX N ATOM 1358 C2 ADE A 49 46.679 68.854 41.109 1.00 0.00 SBOX C ATOM 1359 H2 ADE A 49 46.838 69.913 40.962 1.00 0.00 SBOX ATOM 1360 N3 ADE A 49 47.519 68.292 41.930 1.00 0.00 SBOX N ATOM 1361 C4 ADE A 49 47.327 66.999 42.047 1.00 0.00 SBOX C ATOM 1362 C3' ADE A 49 48.645 65.619 45.793 1.00 0.00 SBOX C ATOM 1363 H3' ADE A 49 47.691 65.133 45.585 1.00 0.00 SBOX ATOM 1364 C2' ADE A 49 48.671 66.936 44.962 1.00 0.00 SBOX C ATOM 1365 H2'' ADE A 49 47.733 67.489 44.999 1.00 0.00 SBOX ATOM 1366 O2' ADE A 49 49.733 67.848 45.377 1.00 0.00 SBOX O ATOM 1367 H2' ADE A 49 49.860 67.843 46.329 1.00 0.00 SBOX ATOM 1368 O3' ADE A 49 48.911 65.798 47.163 1.00 0.00 SBOX O ATOM 1369 P GUA A 50 47.835 66.336 48.100 1.00 0.00 SBOX P ATOM 1370 O1P GUA A 50 46.718 65.405 48.138 1.00 0.00 SBOX ATOM 1371 O2P GUA A 50 48.572 66.594 49.317 1.00 0.00 SBOX ATOM 1372 O5' GUA A 50 47.275 67.673 47.599 1.00 0.00 SBOX O ATOM 1373 C5' GUA A 50 45.958 67.636 46.977 1.00 0.00 SBOX C ATOM 1374 H5' GUA A 50 45.256 67.306 47.742 1.00 0.00 SBOX ATOM 1375 H5'' GUA A 50 45.949 66.928 46.148 1.00 0.00 SBOX ATOM 1376 C4' GUA A 50 45.413 68.998 46.534 1.00 0.00 SBOX C ATOM 1377 H4' GUA A 50 45.937 69.766 47.104 1.00 0.00 SBOX ATOM 1378 O4' GUA A 50 45.744 69.074 45.143 1.00 0.00 SBOX O ATOM 1379 C1' GUA A 50 44.553 69.488 44.442 1.00 0.00 SBOX C ATOM 1380 H1' GUA A 50 44.752 70.262 43.702 1.00 0.00 SBOX ATOM 1381 N9 GUA A 50 43.957 68.342 43.751 1.00 0.00 SBOX N ATOM 1382 C8 GUA A 50 43.936 66.954 44.025 1.00 0.00 SBOX C ATOM 1383 H8 GUA A 50 44.450 66.590 44.902 1.00 0.00 SBOX ATOM 1384 N7 GUA A 50 43.277 66.311 43.106 1.00 0.00 SBOX N ATOM 1385 C5 GUA A 50 42.732 67.244 42.241 1.00 0.00 SBOX C ATOM 1386 C6 GUA A 50 41.836 67.159 41.117 1.00 0.00 SBOX C ATOM 1387 O6 GUA A 50 41.293 66.179 40.540 1.00 0.00 SBOX O ATOM 1388 N1 GUA A 50 41.534 68.363 40.560 1.00 0.00 SBOX N ATOM 1389 H1 GUA A 50 40.803 68.305 39.865 1.00 0.00 SBOX ATOM 1390 C2 GUA A 50 42.031 69.522 40.957 1.00 0.00 SBOX C ATOM 1391 N2 GUA A 50 41.593 70.610 40.394 1.00 0.00 SBOX N ATOM 1392 H21 GUA A 50 40.861 70.461 39.715 1.00 0.00 SBOX ATOM 1393 H22 GUA A 50 41.961 71.472 40.772 1.00 0.00 SBOX ATOM 1394 N3 GUA A 50 42.882 69.684 41.990 1.00 0.00 SBOX N ATOM 1395 C4 GUA A 50 43.208 68.499 42.594 1.00 0.00 SBOX C ATOM 1396 C3' GUA A 50 43.866 69.253 46.768 1.00 0.00 SBOX C ATOM 1397 H3' GUA A 50 43.311 68.319 46.676 1.00 0.00 SBOX ATOM 1398 C2' GUA A 50 43.638 70.092 45.521 1.00 0.00 SBOX C ATOM 1399 H2'' GUA A 50 42.624 70.007 45.132 1.00 0.00 SBOX ATOM 1400 O2' GUA A 50 44.003 71.453 45.605 1.00 0.00 SBOX O ATOM 1401 H2' GUA A 50 43.180 71.947 45.578 1.00 0.00 SBOX ATOM 1402 O3' GUA A 50 43.643 69.902 48.037 1.00 0.00 SBOX O ATOM 1403 P ADE A 51 42.813 69.059 49.143 1.00 0.00 SBOX P ATOM 1404 O1P ADE A 51 43.445 67.713 49.326 1.00 0.00 SBOX ATOM 1405 O2P ADE A 51 42.524 69.942 50.300 1.00 0.00 SBOX ATOM 1406 O5' ADE A 51 41.396 68.892 48.341 1.00 0.00 SBOX O ATOM 1407 C5' ADE A 51 40.474 67.852 48.635 1.00 0.00 SBOX C ATOM 1408 H5' ADE A 51 40.410 67.689 49.711 1.00 0.00 SBOX ATOM 1409 H5'' ADE A 51 40.796 66.983 48.060 1.00 0.00 SBOX ATOM 1410 C4' ADE A 51 39.102 68.251 48.195 1.00 0.00 SBOX C ATOM 1411 H4' ADE A 51 38.477 67.372 48.356 1.00 0.00 SBOX ATOM 1412 O4' ADE A 51 38.626 69.284 49.050 1.00 0.00 SBOX O ATOM 1413 C1' ADE A 51 38.042 70.285 48.195 1.00 0.00 SBOX C ATOM 1414 H1' ADE A 51 37.073 70.517 48.635 1.00 0.00 SBOX ATOM 1415 N9 ADE A 51 38.849 71.543 48.215 1.00 0.00 SBOX N ATOM 1416 C8 ADE A 51 40.047 71.788 48.800 1.00 0.00 SBOX C ATOM 1417 H8 ADE A 51 40.514 71.052 49.439 1.00 0.00 SBOX ATOM 1418 N7 ADE A 51 40.476 73.041 48.716 1.00 0.00 SBOX N ATOM 1419 C5 ADE A 51 39.514 73.644 47.947 1.00 0.00 SBOX C ATOM 1420 C6 ADE A 51 39.273 74.961 47.443 1.00 0.00 SBOX C ATOM 1421 N6 ADE A 51 40.010 76.033 47.773 1.00 0.00 SBOX N ATOM 1422 H61 ADE A 51 39.678 76.953 47.521 1.00 0.00 SBOX ATOM 1423 H62 ADE A 51 40.648 75.959 48.552 1.00 0.00 SBOX ATOM 1424 N1 ADE A 51 38.165 75.236 46.780 1.00 0.00 SBOX N ATOM 1425 C2 ADE A 51 37.245 74.310 46.610 1.00 0.00 SBOX C ATOM 1426 H2 ADE A 51 36.304 74.660 46.211 1.00 0.00 SBOX ATOM 1427 N3 ADE A 51 37.298 73.074 47.070 1.00 0.00 SBOX N ATOM 1428 C4 ADE A 51 38.467 72.766 47.700 1.00 0.00 SBOX C ATOM 1429 C3' ADE A 51 38.942 68.643 46.706 1.00 0.00 SBOX C ATOM 1430 H3' ADE A 51 39.899 68.989 46.314 1.00 0.00 SBOX ATOM 1431 C2' ADE A 51 37.808 69.642 46.845 1.00 0.00 SBOX C ATOM 1432 H2'' ADE A 51 37.759 70.414 46.077 1.00 0.00 SBOX ATOM 1433 O2' ADE A 51 36.485 69.027 46.891 1.00 0.00 SBOX O ATOM 1434 H2' ADE A 51 36.478 68.103 46.633 1.00 0.00 SBOX ATOM 1435 O3' ADE A 51 38.508 67.545 45.897 1.00 0.00 SBOX O ATOM 1436 P ADE A 52 38.763 67.411 44.309 1.00 0.00 SBOX P ATOM 1437 O1P ADE A 52 40.228 67.494 44.051 1.00 0.00 SBOX ATOM 1438 O2P ADE A 52 37.992 66.259 43.803 1.00 0.00 SBOX ATOM 1439 O5' ADE A 52 38.076 68.833 43.770 1.00 0.00 SBOX O ATOM 1440 C5' ADE A 52 38.671 69.588 42.795 1.00 0.00 SBOX C ATOM 1441 H5' ADE A 52 38.798 69.017 41.876 1.00 0.00 SBOX ATOM 1442 H5'' ADE A 52 39.671 69.898 43.097 1.00 0.00 SBOX ATOM 1443 C4' ADE A 52 37.703 70.763 42.476 1.00 0.00 SBOX C ATOM 1444 H4' ADE A 52 36.768 70.391 42.058 1.00 0.00 SBOX ATOM 1445 O4' ADE A 52 37.498 71.503 43.606 1.00 0.00 SBOX O ATOM 1446 C1' ADE A 52 38.049 72.813 43.392 1.00 0.00 SBOX C ATOM 1447 H1' ADE A 52 37.351 73.490 43.884 1.00 0.00 SBOX ATOM 1448 N9 ADE A 52 39.395 73.012 43.974 1.00 0.00 SBOX N ATOM 1449 C8 ADE A 52 40.181 72.026 44.671 1.00 0.00 SBOX C ATOM 1450 H8 ADE A 52 39.921 70.978 44.712 1.00 0.00 SBOX ATOM 1451 N7 ADE A 52 41.241 72.514 45.260 1.00 0.00 SBOX N ATOM 1452 C5 ADE A 52 41.162 73.876 44.886 1.00 0.00 SBOX C ATOM 1453 C6 ADE A 52 41.855 75.100 45.170 1.00 0.00 SBOX C ATOM 1454 N6 ADE A 52 43.079 75.225 45.705 1.00 0.00 SBOX N ATOM 1455 H61 ADE A 52 43.330 76.195 45.828 1.00 0.00 SBOX ATOM 1456 H62 ADE A 52 43.515 74.424 46.140 1.00 0.00 SBOX ATOM 1457 N1 ADE A 52 41.354 76.331 44.971 1.00 0.00 SBOX N ATOM 1458 C2 ADE A 52 40.271 76.367 44.210 1.00 0.00 SBOX C ATOM 1459 H2 ADE A 52 39.981 77.340 43.842 1.00 0.00 SBOX ATOM 1460 N3 ADE A 52 39.493 75.372 43.774 1.00 0.00 SBOX N ATOM 1461 C4 ADE A 52 39.983 74.196 44.209 1.00 0.00 SBOX C ATOM 1462 C3' ADE A 52 38.295 71.640 41.273 1.00 0.00 SBOX C ATOM 1463 H3' ADE A 52 39.358 71.446 41.124 1.00 0.00 SBOX ATOM 1464 C2' ADE A 52 38.025 73.028 41.849 1.00 0.00 SBOX C ATOM 1465 H2'' ADE A 52 38.719 73.746 41.411 1.00 0.00 SBOX ATOM 1466 O2' ADE A 52 36.696 73.283 41.544 1.00 0.00 SBOX O ATOM 1467 H2' ADE A 52 36.476 72.925 40.681 1.00 0.00 SBOX ATOM 1468 O3' ADE A 52 37.627 71.461 40.052 1.00 0.00 SBOX O ATOM 1469 P ADE A 53 38.276 71.729 38.639 1.00 0.00 SBOX P ATOM 1470 O1P ADE A 53 39.527 70.942 38.646 1.00 0.00 SBOX ATOM 1471 O2P ADE A 53 37.257 71.574 37.520 1.00 0.00 SBOX ATOM 1472 O5' ADE A 53 38.776 73.261 38.796 1.00 0.00 SBOX O ATOM 1473 C5' ADE A 53 37.949 74.406 38.410 1.00 0.00 SBOX C ATOM 1474 H5' ADE A 53 37.248 74.622 39.217 1.00 0.00 SBOX ATOM 1475 H5'' ADE A 53 37.401 74.438 37.469 1.00 0.00 SBOX ATOM 1476 C4' ADE A 53 38.833 75.620 38.557 1.00 0.00 SBOX C ATOM 1477 H4' ADE A 53 38.231 76.505 38.349 1.00 0.00 SBOX ATOM 1478 O4' ADE A 53 39.314 75.796 39.897 1.00 0.00 SBOX O ATOM 1479 C1' ADE A 53 40.673 76.355 39.900 1.00 0.00 SBOX C ATOM 1480 H1' ADE A 53 40.810 77.299 40.428 1.00 0.00 SBOX ATOM 1481 N9 ADE A 53 41.674 75.427 40.377 1.00 0.00 SBOX N ATOM 1482 C8 ADE A 53 41.667 74.074 40.202 1.00 0.00 SBOX C ATOM 1483 H8 ADE A 53 40.785 73.628 39.767 1.00 0.00 SBOX ATOM 1484 N7 ADE A 53 42.570 73.396 40.867 1.00 0.00 SBOX N ATOM 1485 C5 ADE A 53 43.377 74.442 41.404 1.00 0.00 SBOX C ATOM 1486 C6 ADE A 53 44.561 74.523 42.209 1.00 0.00 SBOX C ATOM 1487 N6 ADE A 53 45.276 73.506 42.636 1.00 0.00 SBOX N ATOM 1488 H61 ADE A 53 46.020 73.746 43.275 1.00 0.00 SBOX ATOM 1489 H62 ADE A 53 45.141 72.512 42.512 1.00 0.00 SBOX ATOM 1490 N1 ADE A 53 45.087 75.652 42.615 1.00 0.00 SBOX N ATOM 1491 C2 ADE A 53 44.386 76.773 42.299 1.00 0.00 SBOX C ATOM 1492 H2 ADE A 53 44.813 77.685 42.689 1.00 0.00 SBOX ATOM 1493 N3 ADE A 53 43.290 76.890 41.536 1.00 0.00 SBOX N ATOM 1494 C4 ADE A 53 42.837 75.647 41.107 1.00 0.00 SBOX C ATOM 1495 C3' ADE A 53 40.041 75.549 37.600 1.00 0.00 SBOX C ATOM 1496 H3' ADE A 53 40.448 74.539 37.624 1.00 0.00 SBOX ATOM 1497 C2' ADE A 53 40.848 76.667 38.403 1.00 0.00 SBOX C ATOM 1498 H2'' ADE A 53 41.895 76.550 38.125 1.00 0.00 SBOX ATOM 1499 O2' ADE A 53 40.497 78.034 38.138 1.00 0.00 SBOX O ATOM 1500 H2' ADE A 53 39.629 78.088 37.732 1.00 0.00 SBOX ATOM 1501 O3' ADE A 53 39.923 76.059 36.323 1.00 0.00 SBOX O ATOM 1502 P URA A 54 40.785 75.451 35.117 1.00 0.00 SBOX P ATOM 1503 O1P URA A 54 40.220 74.096 34.893 1.00 0.00 SBOX ATOM 1504 O2P URA A 54 40.809 76.436 34.026 1.00 0.00 SBOX ATOM 1505 O5' URA A 54 42.327 75.257 35.550 1.00 0.00 SBOX O ATOM 1506 C5' URA A 54 43.228 76.311 35.779 1.00 0.00 SBOX C ATOM 1507 H5' URA A 54 42.623 77.132 36.163 1.00 0.00 SBOX ATOM 1508 H5'' URA A 54 43.739 76.643 34.876 1.00 0.00 SBOX ATOM 1509 C4' URA A 54 44.346 75.892 36.702 1.00 0.00 SBOX C ATOM 1510 H4' URA A 54 44.894 76.747 37.097 1.00 0.00 SBOX ATOM 1511 O4' URA A 54 43.888 75.255 37.972 1.00 0.00 SBOX O ATOM 1512 C1' URA A 54 44.774 74.271 38.424 1.00 0.00 SBOX C ATOM 1513 H1' URA A 54 45.191 74.435 39.418 1.00 0.00 SBOX ATOM 1514 N1 URA A 54 44.215 72.878 38.396 1.00 0.00 SBOX N ATOM 1515 C6 URA A 54 43.254 72.513 37.416 1.00 0.00 SBOX C ATOM 1516 H6 URA A 54 42.758 73.276 36.834 1.00 0.00 SBOX ATOM 1517 C5 URA A 54 43.127 71.144 37.160 1.00 0.00 SBOX C ATOM 1518 H5 URA A 54 42.388 70.811 36.447 1.00 0.00 SBOX ATOM 1519 C4 URA A 54 43.793 70.169 37.908 1.00 0.00 SBOX C ATOM 1520 O4 URA A 54 43.662 68.893 37.786 1.00 0.00 SBOX O ATOM 1521 N3 URA A 54 44.740 70.614 38.771 1.00 0.00 SBOX N ATOM 1522 H3 URA A 54 45.316 69.913 39.215 1.00 0.00 SBOX ATOM 1523 C2 URA A 54 45.022 71.916 39.095 1.00 0.00 SBOX C ATOM 1524 O2 URA A 54 46.098 72.132 39.790 1.00 0.00 SBOX O ATOM 1525 C3' URA A 54 45.396 74.948 36.179 1.00 0.00 SBOX C ATOM 1526 H3' URA A 54 44.913 74.168 35.589 1.00 0.00 SBOX ATOM 1527 C2' URA A 54 45.976 74.363 37.489 1.00 0.00 SBOX C ATOM 1528 H2'' URA A 54 46.296 73.328 37.369 1.00 0.00 SBOX ATOM 1529 O2' URA A 54 46.960 75.229 38.042 1.00 0.00 SBOX O ATOM 1530 H2' URA A 54 47.804 74.969 37.666 1.00 0.00 SBOX ATOM 1531 O3' URA A 54 46.312 75.666 35.417 1.00 0.00 SBOX O ATOM 1532 P GUA A 55 47.378 74.860 34.607 1.00 0.00 SBOX P ATOM 1533 O1P GUA A 55 46.692 73.817 33.800 1.00 0.00 SBOX ATOM 1534 O2P GUA A 55 48.250 75.839 33.928 1.00 0.00 SBOX ATOM 1535 O5' GUA A 55 48.341 74.106 35.588 1.00 0.00 SBOX O ATOM 1536 C5' GUA A 55 49.407 74.722 36.293 1.00 0.00 SBOX C ATOM 1537 H5' GUA A 55 49.018 75.629 36.756 1.00 0.00 SBOX ATOM 1538 H5'' GUA A 55 50.144 74.940 35.520 1.00 0.00 SBOX ATOM 1539 C4' GUA A 55 50.163 73.907 37.347 1.00 0.00 SBOX C ATOM 1540 H4' GUA A 55 50.753 74.577 37.972 1.00 0.00 SBOX ATOM 1541 O4' GUA A 55 49.123 73.276 38.064 1.00 0.00 SBOX O ATOM 1542 C1' GUA A 55 49.580 71.995 38.436 1.00 0.00 SBOX C ATOM 1543 H1' GUA A 55 49.331 71.890 39.492 1.00 0.00 SBOX ATOM 1544 N9 GUA A 55 48.728 70.992 37.785 1.00 0.00 SBOX N ATOM 1545 C8 GUA A 55 47.910 71.054 36.726 1.00 0.00 SBOX C ATOM 1546 H8 GUA A 55 47.768 71.925 36.103 1.00 0.00 SBOX ATOM 1547 N7 GUA A 55 47.247 69.992 36.475 1.00 0.00 SBOX N ATOM 1548 C5 GUA A 55 47.814 69.082 37.378 1.00 0.00 SBOX C ATOM 1549 C6 GUA A 55 47.570 67.693 37.626 1.00 0.00 SBOX C ATOM 1550 O6 GUA A 55 46.752 66.923 37.114 1.00 0.00 SBOX O ATOM 1551 N1 GUA A 55 48.379 67.097 38.542 1.00 0.00 SBOX N ATOM 1552 H1 GUA A 55 48.394 66.095 38.663 1.00 0.00 SBOX ATOM 1553 C2 GUA A 55 49.255 67.816 39.340 1.00 0.00 SBOX C ATOM 1554 N2 GUA A 55 50.108 67.105 40.030 1.00 0.00 SBOX N ATOM 1555 H21 GUA A 55 50.028 66.105 40.148 1.00 0.00 SBOX ATOM 1556 H22 GUA A 55 50.865 67.613 40.465 1.00 0.00 SBOX ATOM 1557 N3 GUA A 55 49.467 69.134 39.192 1.00 0.00 SBOX N ATOM 1558 C4 GUA A 55 48.659 69.702 38.261 1.00 0.00 SBOX C ATOM 1559 C3' GUA A 55 51.073 72.799 36.814 1.00 0.00 SBOX C ATOM 1560 H3' GUA A 55 50.529 72.240 36.053 1.00 0.00 SBOX ATOM 1561 C2' GUA A 55 51.113 71.925 38.081 1.00 0.00 SBOX C ATOM 1562 H2'' GUA A 55 51.520 70.920 37.971 1.00 0.00 SBOX ATOM 1563 O2' GUA A 55 51.651 72.511 39.297 1.00 0.00 SBOX O ATOM 1564 H2' GUA A 55 52.147 71.867 39.807 1.00 0.00 SBOX ATOM 1565 O3' GUA A 55 52.327 73.287 36.408 1.00 0.00 SBOX O ATOM 1566 P GUA A 56 53.260 72.453 35.410 1.00 0.00 SBOX P ATOM 1567 O1P GUA A 56 52.502 72.163 34.219 1.00 0.00 SBOX ATOM 1568 O2P GUA A 56 54.606 73.120 35.277 1.00 0.00 SBOX ATOM 1569 O5' GUA A 56 53.403 71.084 36.194 1.00 0.00 SBOX O ATOM 1570 C5' GUA A 56 54.291 70.855 37.279 1.00 0.00 SBOX C ATOM 1571 H5' GUA A 56 53.927 71.340 38.185 1.00 0.00 SBOX ATOM 1572 H5'' GUA A 56 55.270 71.236 36.988 1.00 0.00 SBOX ATOM 1573 C4' GUA A 56 54.423 69.403 37.688 1.00 0.00 SBOX C ATOM 1574 H4' GUA A 56 55.198 69.425 38.453 1.00 0.00 SBOX ATOM 1575 O4' GUA A 56 53.244 68.829 38.249 1.00 0.00 SBOX O ATOM 1576 C1' GUA A 56 53.219 67.433 37.858 1.00 0.00 SBOX C ATOM 1577 H1' GUA A 56 53.215 66.676 38.641 1.00 0.00 SBOX ATOM 1578 N9 GUA A 56 52.097 67.179 36.916 1.00 0.00 SBOX N ATOM 1579 C8 GUA A 56 51.472 67.982 35.959 1.00 0.00 SBOX C ATOM 1580 H8 GUA A 56 51.983 68.899 35.704 1.00 0.00 SBOX ATOM 1581 N7 GUA A 56 50.376 67.524 35.427 1.00 0.00 SBOX N ATOM 1582 C5 GUA A 56 50.334 66.249 35.963 1.00 0.00 SBOX C ATOM 1583 C6 GUA A 56 49.517 65.127 35.600 1.00 0.00 SBOX C ATOM 1584 O6 GUA A 56 48.620 65.030 34.820 1.00 0.00 SBOX O ATOM 1585 N1 GUA A 56 49.834 63.954 36.240 1.00 0.00 SBOX N ATOM 1586 H1 GUA A 56 49.261 63.132 36.109 1.00 0.00 SBOX ATOM 1587 C2 GUA A 56 50.895 63.813 37.011 1.00 0.00 SBOX C ATOM 1588 N2 GUA A 56 51.056 62.624 37.557 1.00 0.00 SBOX N ATOM 1589 H21 GUA A 56 50.301 61.956 37.626 1.00 0.00 SBOX ATOM 1590 H22 GUA A 56 51.866 62.454 38.136 1.00 0.00 SBOX ATOM 1591 N3 GUA A 56 51.656 64.805 37.424 1.00 0.00 SBOX N ATOM 1592 C4 GUA A 56 51.340 66.006 36.863 1.00 0.00 SBOX C ATOM 1593 C3' GUA A 56 54.858 68.605 36.504 1.00 0.00 SBOX C ATOM 1594 H3' GUA A 56 54.140 68.862 35.726 1.00 0.00 SBOX ATOM 1595 C2' GUA A 56 54.605 67.228 37.101 1.00 0.00 SBOX C ATOM 1596 H2'' GUA A 56 54.551 66.484 36.306 1.00 0.00 SBOX ATOM 1597 O2' GUA A 56 55.631 66.725 37.913 1.00 0.00 SBOX O ATOM 1598 H2' GUA A 56 55.910 65.989 37.363 1.00 0.00 SBOX ATOM 1599 O3' GUA A 56 56.263 68.702 36.155 1.00 0.00 SBOX O ATOM 1600 P URA A 57 56.686 68.625 34.573 1.00 0.00 SBOX P ATOM 1601 O1P URA A 57 55.899 69.602 33.809 1.00 0.00 SBOX ATOM 1602 O2P URA A 57 58.114 68.475 34.377 1.00 0.00 SBOX ATOM 1603 O5' URA A 57 56.140 67.200 34.512 1.00 0.00 SBOX O ATOM 1604 C5' URA A 57 55.563 66.669 33.388 1.00 0.00 SBOX C ATOM 1605 H5' URA A 57 56.226 66.576 32.528 1.00 0.00 SBOX ATOM 1606 H5'' URA A 57 54.639 67.198 33.154 1.00 0.00 SBOX ATOM 1607 C4' URA A 57 55.121 65.258 33.757 1.00 0.00 SBOX C ATOM 1608 H4' URA A 57 55.708 64.841 34.575 1.00 0.00 SBOX ATOM 1609 O4' URA A 57 53.762 65.368 34.121 1.00 0.00 SBOX O ATOM 1610 C1' URA A 57 53.350 64.002 34.000 1.00 0.00 SBOX C ATOM 1611 H1' URA A 57 53.226 63.576 34.996 1.00 0.00 SBOX ATOM 1612 N1 URA A 57 52.021 63.790 33.318 1.00 0.00 SBOX N ATOM 1613 C6 URA A 57 51.515 64.822 32.548 1.00 0.00 SBOX C ATOM 1614 H6 URA A 57 52.010 65.755 32.320 1.00 0.00 SBOX ATOM 1615 C5 URA A 57 50.229 64.669 32.029 1.00 0.00 SBOX C ATOM 1616 H5 URA A 57 49.906 65.308 31.221 1.00 0.00 SBOX ATOM 1617 C4 URA A 57 49.447 63.482 32.313 1.00 0.00 SBOX C ATOM 1618 O4 URA A 57 48.347 63.209 31.828 1.00 0.00 SBOX O ATOM 1619 N3 URA A 57 50.011 62.548 33.094 1.00 0.00 SBOX N ATOM 1620 H3 URA A 57 49.539 61.657 33.148 1.00 0.00 SBOX ATOM 1621 C2 URA A 57 51.281 62.674 33.612 1.00 0.00 SBOX C ATOM 1622 O2 URA A 57 51.702 61.785 34.326 1.00 0.00 SBOX O ATOM 1623 C3' URA A 57 55.199 64.230 32.602 1.00 0.00 SBOX C ATOM 1624 H3' URA A 57 54.638 64.604 31.745 1.00 0.00 SBOX ATOM 1625 C2' URA A 57 54.342 63.120 33.289 1.00 0.00 SBOX C ATOM 1626 H2'' URA A 57 53.797 62.488 32.588 1.00 0.00 SBOX ATOM 1627 O2' URA A 57 54.967 62.414 34.354 1.00 0.00 SBOX O ATOM 1628 H2' URA A 57 55.347 61.563 34.123 1.00 0.00 SBOX ATOM 1629 O3' URA A 57 56.553 63.848 32.282 1.00 0.00 SBOX O ATOM 1630 P GUA A 58 56.906 63.334 30.772 1.00 0.00 SBOX P ATOM 1631 O1P GUA A 58 56.993 64.507 29.898 1.00 0.00 SBOX ATOM 1632 O2P GUA A 58 58.130 62.520 30.894 1.00 0.00 SBOX ATOM 1633 O5' GUA A 58 55.699 62.442 30.305 1.00 0.00 SBOX O ATOM 1634 C5' GUA A 58 55.428 61.150 30.860 1.00 0.00 SBOX C ATOM 1635 H5' GUA A 58 55.374 61.226 31.946 1.00 0.00 SBOX ATOM 1636 H5'' GUA A 58 56.118 60.335 30.641 1.00 0.00 SBOX ATOM 1637 C4' GUA A 58 54.047 60.584 30.413 1.00 0.00 SBOX C ATOM 1638 H4' GUA A 58 53.922 59.591 30.844 1.00 0.00 SBOX ATOM 1639 O4' GUA A 58 52.951 61.370 30.911 1.00 0.00 SBOX O ATOM 1640 C1' GUA A 58 51.913 61.203 29.915 1.00 0.00 SBOX C ATOM 1641 H1' GUA A 58 51.039 60.843 30.456 1.00 0.00 SBOX ATOM 1642 N9 GUA A 58 51.516 62.544 29.332 1.00 0.00 SBOX N ATOM 1643 C8 GUA A 58 52.214 63.736 29.349 1.00 0.00 SBOX C ATOM 1644 H8 GUA A 58 53.265 63.833 29.577 1.00 0.00 SBOX ATOM 1645 N7 GUA A 58 51.487 64.756 29.101 1.00 0.00 SBOX N ATOM 1646 C5 GUA A 58 50.214 64.209 28.726 1.00 0.00 SBOX C ATOM 1647 C6 GUA A 58 48.974 64.759 28.096 1.00 0.00 SBOX C ATOM 1648 O6 GUA A 58 48.709 65.950 27.853 1.00 0.00 SBOX O ATOM 1649 N1 GUA A 58 48.027 63.840 27.692 1.00 0.00 SBOX N ATOM 1650 H1 GUA A 58 47.187 64.148 27.223 1.00 0.00 SBOX ATOM 1651 C2 GUA A 58 48.164 62.583 28.003 1.00 0.00 SBOX C ATOM 1652 N2 GUA A 58 47.126 61.853 27.767 1.00 0.00 SBOX N ATOM 1653 H21 GUA A 58 46.298 62.257 27.354 1.00 0.00 SBOX ATOM 1654 H22 GUA A 58 47.103 60.879 28.033 1.00 0.00 SBOX ATOM 1655 N3 GUA A 58 49.225 61.973 28.563 1.00 0.00 SBOX N ATOM 1656 C4 GUA A 58 50.223 62.834 28.900 1.00 0.00 SBOX C ATOM 1657 C3' GUA A 58 53.902 60.433 28.884 1.00 0.00 SBOX C ATOM 1658 H3' GUA A 58 54.233 61.338 28.376 1.00 0.00 SBOX ATOM 1659 C2' GUA A 58 52.436 60.255 28.810 1.00 0.00 SBOX C ATOM 1660 H2'' GUA A 58 52.083 60.566 27.827 1.00 0.00 SBOX ATOM 1661 O2' GUA A 58 52.056 58.823 29.093 1.00 0.00 SBOX O ATOM 1662 H2' GUA A 58 52.581 58.381 28.422 1.00 0.00 SBOX ATOM 1663 O3' GUA A 58 54.563 59.296 28.379 1.00 0.00 SBOX O ATOM 1664 P CYT A 59 55.204 59.343 26.978 1.00 0.00 SBOX P ATOM 1665 O1P CYT A 59 55.955 60.573 26.838 1.00 0.00 SBOX ATOM 1666 O2P CYT A 59 55.910 58.079 26.706 1.00 0.00 SBOX ATOM 1667 O5' CYT A 59 53.896 59.557 26.039 1.00 0.00 SBOX O ATOM 1668 C5' CYT A 59 53.095 58.403 25.735 1.00 0.00 SBOX C ATOM 1669 H5' CYT A 59 52.907 57.831 26.644 1.00 0.00 SBOX ATOM 1670 H5'' CYT A 59 53.714 57.777 25.092 1.00 0.00 SBOX ATOM 1671 C4' CYT A 59 51.707 58.656 25.117 1.00 0.00 SBOX C ATOM 1672 H4' CYT A 59 51.154 57.717 25.110 1.00 0.00 SBOX ATOM 1673 O4' CYT A 59 51.040 59.551 25.975 1.00 0.00 SBOX O ATOM 1674 C1' CYT A 59 50.151 60.356 25.199 1.00 0.00 SBOX C ATOM 1675 H1' CYT A 59 49.158 60.148 25.598 1.00 0.00 SBOX ATOM 1676 N1 CYT A 59 50.497 61.820 25.341 1.00 0.00 SBOX N ATOM 1677 C6 CYT A 59 51.752 62.242 25.638 1.00 0.00 SBOX C ATOM 1678 H6 CYT A 59 52.522 61.534 25.905 1.00 0.00 SBOX ATOM 1679 C5 CYT A 59 51.971 63.551 25.774 1.00 0.00 SBOX C ATOM 1680 H5 CYT A 59 52.929 63.943 26.081 1.00 0.00 SBOX ATOM 1681 C4 CYT A 59 50.929 64.411 25.404 1.00 0.00 SBOX C ATOM 1682 N4 CYT A 59 51.081 65.696 25.427 1.00 0.00 SBOX N ATOM 1683 H41 CYT A 59 50.194 66.127 25.210 1.00 0.00 SBOX ATOM 1684 H42 CYT A 59 51.800 66.189 25.937 1.00 0.00 SBOX ATOM 1685 N3 CYT A 59 49.729 64.039 24.981 1.00 0.00 SBOX N ATOM 1686 C2 CYT A 59 49.545 62.695 24.834 1.00 0.00 SBOX C ATOM 1687 O2 CYT A 59 48.481 62.340 24.334 1.00 0.00 SBOX O ATOM 1688 C3' CYT A 59 51.635 59.227 23.697 1.00 0.00 SBOX C ATOM 1689 H3' CYT A 59 52.382 60.020 23.717 1.00 0.00 SBOX ATOM 1690 C2' CYT A 59 50.179 59.761 23.793 1.00 0.00 SBOX C ATOM 1691 H2'' CYT A 59 49.924 60.553 23.089 1.00 0.00 SBOX ATOM 1692 O2' CYT A 59 49.151 58.777 23.599 1.00 0.00 SBOX O ATOM 1693 H2' CYT A 59 48.276 59.167 23.542 1.00 0.00 SBOX ATOM 1694 O3' CYT A 59 51.995 58.208 22.700 1.00 0.00 SBOX O ATOM 1695 P CYT A 60 52.436 58.735 21.271 1.00 0.00 SBOX P ATOM 1696 O1P CYT A 60 53.648 59.635 21.454 1.00 0.00 SBOX ATOM 1697 O2P CYT A 60 52.501 57.567 20.379 1.00 0.00 SBOX ATOM 1698 O5' CYT A 60 51.276 59.633 20.635 1.00 0.00 SBOX O ATOM 1699 C5' CYT A 60 50.093 58.980 20.220 1.00 0.00 SBOX C ATOM 1700 H5' CYT A 60 49.712 58.491 21.116 1.00 0.00 SBOX ATOM 1701 H5'' CYT A 60 50.343 58.377 19.346 1.00 0.00 SBOX ATOM 1702 C4' CYT A 60 49.019 59.891 19.680 1.00 0.00 SBOX C ATOM 1703 H4' CYT A 60 48.030 59.453 19.537 1.00 0.00 SBOX ATOM 1704 O4' CYT A 60 48.944 60.901 20.678 1.00 0.00 SBOX O ATOM 1705 C1' CYT A 60 48.602 62.111 20.117 1.00 0.00 SBOX C ATOM 1706 H1' CYT A 60 47.613 62.456 20.418 1.00 0.00 SBOX ATOM 1707 N1 CYT A 60 49.636 63.245 20.383 1.00 0.00 SBOX N ATOM 1708 C6 CYT A 60 51.022 63.020 20.455 1.00 0.00 SBOX C ATOM 1709 H6 CYT A 60 51.352 62.028 20.184 1.00 0.00 SBOX ATOM 1710 C5 CYT A 60 51.765 64.057 20.739 1.00 0.00 SBOX C ATOM 1711 H5 CYT A 60 52.842 63.990 20.779 1.00 0.00 SBOX ATOM 1712 C4 CYT A 60 51.179 65.318 21.098 1.00 0.00 SBOX C ATOM 1713 N4 CYT A 60 51.829 66.346 21.233 1.00 0.00 SBOX N ATOM 1714 H41 CYT A 60 51.278 67.097 21.623 1.00 0.00 SBOX ATOM 1715 H42 CYT A 60 52.810 66.374 20.992 1.00 0.00 SBOX ATOM 1716 N3 CYT A 60 49.914 65.546 20.960 1.00 0.00 SBOX N ATOM 1717 C2 CYT A 60 49.135 64.544 20.504 1.00 0.00 SBOX C ATOM 1718 O2 CYT A 60 47.973 64.864 20.187 1.00 0.00 SBOX O ATOM 1719 C3' CYT A 60 49.402 60.656 18.454 1.00 0.00 SBOX C ATOM 1720 H3' CYT A 60 50.475 60.837 18.390 1.00 0.00 SBOX ATOM 1721 C2' CYT A 60 48.582 61.961 18.647 1.00 0.00 SBOX C ATOM 1722 H2'' CYT A 60 49.126 62.760 18.144 1.00 0.00 SBOX ATOM 1723 O2' CYT A 60 47.195 61.858 18.367 1.00 0.00 SBOX O ATOM 1724 H2' CYT A 60 47.055 62.222 17.490 1.00 0.00 SBOX ATOM 1725 O3' CYT A 60 49.125 59.893 17.252 1.00 0.00 SBOX O ATOM 1726 P ADE A 61 49.792 60.293 15.829 1.00 0.00 SBOX P ATOM 1727 O1P ADE A 61 49.493 61.705 15.470 1.00 0.00 SBOX ATOM 1728 O2P ADE A 61 51.192 59.881 15.886 1.00 0.00 SBOX ATOM 1729 O5' ADE A 61 49.025 59.292 14.831 1.00 0.00 SBOX O ATOM 1730 C5' ADE A 61 49.202 57.816 15.130 1.00 0.00 SBOX C ATOM 1731 H5' ADE A 61 48.919 57.684 16.174 1.00 0.00 SBOX ATOM 1732 H5'' ADE A 61 50.257 57.602 14.955 1.00 0.00 SBOX ATOM 1733 C4' ADE A 61 48.412 56.862 14.210 1.00 0.00 SBOX C ATOM 1734 H4' ADE A 61 47.397 57.250 14.127 1.00 0.00 SBOX ATOM 1735 O4' ADE A 61 48.910 56.763 12.930 1.00 0.00 SBOX O ATOM 1736 C1' ADE A 61 49.065 55.431 12.559 1.00 0.00 SBOX C ATOM 1737 H1' ADE A 61 48.760 55.327 11.518 1.00 0.00 SBOX ATOM 1738 N9 ADE A 61 50.399 54.870 12.548 1.00 0.00 SBOX N ATOM 1739 C8 ADE A 61 51.565 55.236 13.248 1.00 0.00 SBOX C ATOM 1740 H8 ADE A 61 51.584 56.011 14.000 1.00 0.00 SBOX ATOM 1741 N7 ADE A 61 52.557 54.472 12.829 1.00 0.00 SBOX N ATOM 1742 C5 ADE A 61 52.126 53.617 11.843 1.00 0.00 SBOX C ATOM 1743 C6 ADE A 61 52.666 52.646 10.931 1.00 0.00 SBOX C ATOM 1744 N6 ADE A 61 53.907 52.278 10.902 1.00 0.00 SBOX N ATOM 1745 H61 ADE A 61 54.088 51.617 10.160 1.00 0.00 SBOX ATOM 1746 H62 ADE A 61 54.596 52.769 11.454 1.00 0.00 SBOX ATOM 1747 N1 ADE A 61 51.956 52.000 10.075 1.00 0.00 SBOX N ATOM 1748 C2 ADE A 61 50.650 52.309 10.047 1.00 0.00 SBOX C ATOM 1749 H2 ADE A 61 49.962 51.755 9.426 1.00 0.00 SBOX ATOM 1750 N3 ADE A 61 49.990 53.222 10.790 1.00 0.00 SBOX N ATOM 1751 C4 ADE A 61 50.811 53.853 11.691 1.00 0.00 SBOX C ATOM 1752 C3' ADE A 61 48.368 55.454 14.870 1.00 0.00 SBOX C ATOM 1753 H3' ADE A 61 49.321 55.186 15.327 1.00 0.00 SBOX ATOM 1754 C2' ADE A 61 48.188 54.662 13.544 1.00 0.00 SBOX C ATOM 1755 H2'' ADE A 61 48.601 53.658 13.638 1.00 0.00 SBOX ATOM 1756 O2' ADE A 61 46.907 54.579 12.910 1.00 0.00 SBOX O ATOM 1757 H2' ADE A 61 46.771 55.301 12.292 1.00 0.00 SBOX ATOM 1758 O3' ADE A 61 47.183 55.197 15.622 1.00 0.00 SBOX O ATOM 1759 P ADE A 62 47.008 53.856 16.626 1.00 0.00 SBOX P ATOM 1760 O1P ADE A 62 48.195 53.905 17.546 1.00 0.00 SBOX ATOM 1761 O2P ADE A 62 45.698 53.964 17.237 1.00 0.00 SBOX ATOM 1762 O5' ADE A 62 47.123 52.517 15.727 1.00 0.00 SBOX O ATOM 1763 C5' ADE A 62 45.986 52.157 14.963 1.00 0.00 SBOX C ATOM 1764 H5' ADE A 62 45.539 52.956 14.372 1.00 0.00 SBOX ATOM 1765 H5'' ADE A 62 45.155 51.758 15.546 1.00 0.00 SBOX ATOM 1766 C4' ADE A 62 46.272 51.096 13.868 1.00 0.00 SBOX C ATOM 1767 H4' ADE A 62 45.369 50.977 13.269 1.00 0.00 SBOX ATOM 1768 O4' ADE A 62 47.316 51.553 13.018 1.00 0.00 SBOX O ATOM 1769 C1' ADE A 62 48.179 50.389 12.804 1.00 0.00 SBOX C ATOM 1770 H1' ADE A 62 48.181 50.143 11.743 1.00 0.00 SBOX ATOM 1771 N9 ADE A 62 49.522 50.755 13.191 1.00 0.00 SBOX N ATOM 1772 C8 ADE A 62 49.949 51.466 14.298 1.00 0.00 SBOX C ATOM 1773 H8 ADE A 62 49.212 51.916 14.948 1.00 0.00 SBOX ATOM 1774 N7 ADE A 62 51.247 51.434 14.512 1.00 0.00 SBOX N ATOM 1775 C5 ADE A 62 51.688 50.591 13.479 1.00 0.00 SBOX C ATOM 1776 C6 ADE A 62 52.892 50.005 13.022 1.00 0.00 SBOX C ATOM 1777 N6 ADE A 62 54.100 50.001 13.509 1.00 0.00 SBOX N ATOM 1778 H61 ADE A 62 54.733 49.478 12.921 1.00 0.00 SBOX ATOM 1779 H62 ADE A 62 54.431 50.447 14.353 1.00 0.00 SBOX ATOM 1780 N1 ADE A 62 52.953 49.184 11.977 1.00 0.00 SBOX N ATOM 1781 C2 ADE A 62 51.842 48.912 11.340 1.00 0.00 SBOX C ATOM 1782 H2 ADE A 62 51.993 48.335 10.440 1.00 0.00 SBOX ATOM 1783 N3 ADE A 62 50.648 49.344 11.632 1.00 0.00 SBOX N ATOM 1784 C4 ADE A 62 50.646 50.177 12.721 1.00 0.00 SBOX C ATOM 1785 C3' ADE A 62 46.677 49.742 14.471 1.00 0.00 SBOX C ATOM 1786 H3' ADE A 62 47.280 49.898 15.366 1.00 0.00 SBOX ATOM 1787 C2' ADE A 62 47.684 49.114 13.491 1.00 0.00 SBOX C ATOM 1788 H2'' ADE A 62 48.484 48.590 14.014 1.00 0.00 SBOX ATOM 1789 O2' ADE A 62 47.039 48.292 12.563 1.00 0.00 SBOX O ATOM 1790 H2' ADE A 62 46.668 47.532 13.017 1.00 0.00 SBOX ATOM 1791 O3' ADE A 62 45.527 48.892 14.648 1.00 0.00 SBOX O ATOM 1792 P URA A 63 45.579 47.571 15.563 1.00 0.00 SBOX P ATOM 1793 O1P URA A 63 44.271 46.937 15.736 1.00 0.00 SBOX ATOM 1794 O2P URA A 63 46.684 46.771 14.954 1.00 0.00 SBOX ATOM 1795 O5' URA A 63 46.037 48.111 17.044 1.00 0.00 SBOX O ATOM 1796 C5' URA A 63 45.302 49.119 17.808 1.00 0.00 SBOX C ATOM 1797 H5' URA A 63 44.331 49.379 17.386 1.00 0.00 SBOX ATOM 1798 H5'' URA A 63 45.938 50.005 17.803 1.00 0.00 SBOX ATOM 1799 C4' URA A 63 45.068 48.620 19.193 1.00 0.00 SBOX C ATOM 1800 H4' URA A 63 44.415 49.293 19.749 1.00 0.00 SBOX ATOM 1801 O4' URA A 63 44.513 47.281 19.264 1.00 0.00 SBOX O ATOM 1802 C1' URA A 63 45.462 46.405 19.745 1.00 0.00 SBOX C ATOM 1803 H1' URA A 63 45.236 46.283 20.804 1.00 0.00 SBOX ATOM 1804 N1 URA A 63 45.440 45.086 19.087 1.00 0.00 SBOX N ATOM 1805 C6 URA A 63 46.015 44.896 17.854 1.00 0.00 SBOX C ATOM 1806 H6 URA A 63 46.533 45.749 17.441 1.00 0.00 SBOX ATOM 1807 C5 URA A 63 45.985 43.694 17.191 1.00 0.00 SBOX C ATOM 1808 H5 URA A 63 46.472 43.629 16.229 1.00 0.00 SBOX ATOM 1809 C4 URA A 63 45.480 42.557 17.792 1.00 0.00 SBOX C ATOM 1810 O4 URA A 63 45.488 41.443 17.342 1.00 0.00 SBOX O ATOM 1811 N3 URA A 63 44.984 42.753 19.038 1.00 0.00 SBOX N ATOM 1812 H3 URA A 63 44.384 41.999 19.343 1.00 0.00 SBOX ATOM 1813 C2 URA A 63 44.873 43.965 19.765 1.00 0.00 SBOX C ATOM 1814 O2 URA A 63 44.352 44.019 20.889 1.00 0.00 SBOX O ATOM 1815 C3' URA A 63 46.302 48.555 20.122 1.00 0.00 SBOX C ATOM 1816 H3' URA A 63 47.136 49.176 19.795 1.00 0.00 SBOX ATOM 1817 C2' URA A 63 46.782 47.135 19.806 1.00 0.00 SBOX C ATOM 1818 H2'' URA A 63 47.338 47.095 18.869 1.00 0.00 SBOX ATOM 1819 O2' URA A 63 47.574 46.494 20.805 1.00 0.00 SBOX O ATOM 1820 H2' URA A 63 47.895 45.670 20.431 1.00 0.00 SBOX ATOM 1821 O3' URA A 63 45.918 48.596 21.494 1.00 0.00 SBOX O ATOM 1822 P URA A 64 46.213 49.768 22.461 1.00 0.00 SBOX P ATOM 1823 O1P URA A 64 45.964 51.056 21.788 1.00 0.00 SBOX ATOM 1824 O2P URA A 64 45.428 49.524 23.695 1.00 0.00 SBOX ATOM 1825 O5' URA A 64 47.792 49.524 22.858 1.00 0.00 SBOX O ATOM 1826 C5' URA A 64 48.734 50.407 22.375 1.00 0.00 SBOX C ATOM 1827 H5' URA A 64 48.516 51.334 22.905 1.00 0.00 SBOX ATOM 1828 H5'' URA A 64 48.508 50.645 21.336 1.00 0.00 SBOX ATOM 1829 C4' URA A 64 50.177 49.793 22.498 1.00 0.00 SBOX C ATOM 1830 H4' URA A 64 50.942 50.492 22.159 1.00 0.00 SBOX ATOM 1831 O4' URA A 64 50.568 49.328 23.776 1.00 0.00 SBOX O ATOM 1832 C1' URA A 64 51.683 48.423 23.707 1.00 0.00 SBOX C ATOM 1833 H1' URA A 64 52.626 48.962 23.618 1.00 0.00 SBOX ATOM 1834 N1 URA A 64 51.683 47.347 24.757 1.00 0.00 SBOX N ATOM 1835 C6 URA A 64 50.519 46.925 25.311 1.00 0.00 SBOX C ATOM 1836 H6 URA A 64 49.598 47.405 25.013 1.00 0.00 SBOX ATOM 1837 C5 URA A 64 50.493 45.967 26.371 1.00 0.00 SBOX C ATOM 1838 H5 URA A 64 49.528 45.762 26.810 1.00 0.00 SBOX ATOM 1839 C4 URA A 64 51.665 45.368 26.820 1.00 0.00 SBOX C ATOM 1840 O4 URA A 64 51.781 44.615 27.806 1.00 0.00 SBOX O ATOM 1841 N3 URA A 64 52.752 45.677 26.018 1.00 0.00 SBOX N ATOM 1842 H3 URA A 64 53.612 45.219 26.284 1.00 0.00 SBOX ATOM 1843 C2 URA A 64 52.876 46.639 24.997 1.00 0.00 SBOX C ATOM 1844 O2 URA A 64 54.010 46.897 24.600 1.00 0.00 SBOX O ATOM 1845 C3' URA A 64 50.342 48.483 21.739 1.00 0.00 SBOX C ATOM 1846 H3' URA A 64 49.451 47.915 22.008 1.00 0.00 SBOX ATOM 1847 C2' URA A 64 51.493 47.759 22.356 1.00 0.00 SBOX C ATOM 1848 H2'' URA A 64 51.249 46.700 22.446 1.00 0.00 SBOX ATOM 1849 O2' URA A 64 52.716 47.797 21.686 1.00 0.00 SBOX O ATOM 1850 H2' URA A 64 52.707 48.547 21.087 1.00 0.00 SBOX ATOM 1851 O3' URA A 64 50.289 48.518 20.295 1.00 0.00 SBOX O ATOM 1852 P CYT A 65 51.040 49.777 19.497 1.00 0.00 SBOX P ATOM 1853 O1P CYT A 65 50.264 50.989 19.695 1.00 0.00 SBOX ATOM 1854 O2P CYT A 65 52.474 49.850 19.819 1.00 0.00 SBOX ATOM 1855 O5' CYT A 65 50.905 49.344 18.011 1.00 0.00 SBOX O ATOM 1856 C5' CYT A 65 49.635 49.199 17.391 1.00 0.00 SBOX C ATOM 1857 H5' CYT A 65 49.380 50.155 16.933 1.00 0.00 SBOX ATOM 1858 H5'' CYT A 65 48.896 48.819 18.096 1.00 0.00 SBOX ATOM 1859 C4' CYT A 65 49.693 48.076 16.392 1.00 0.00 SBOX C ATOM 1860 H4' CYT A 65 48.733 47.881 15.916 1.00 0.00 SBOX ATOM 1861 O4' CYT A 65 50.572 48.428 15.383 1.00 0.00 SBOX O ATOM 1862 C1' CYT A 65 51.088 47.262 14.819 1.00 0.00 SBOX C ATOM 1863 H1' CYT A 65 50.723 47.157 13.797 1.00 0.00 SBOX ATOM 1864 N1 CYT A 65 52.571 47.278 14.863 1.00 0.00 SBOX N ATOM 1865 C6 CYT A 65 53.358 47.921 15.793 1.00 0.00 SBOX C ATOM 1866 H6 CYT A 65 52.890 48.363 16.661 1.00 0.00 SBOX ATOM 1867 C5 CYT A 65 54.730 47.888 15.656 1.00 0.00 SBOX C ATOM 1868 H5 CYT A 65 55.322 48.339 16.439 1.00 0.00 SBOX ATOM 1869 C4 CYT A 65 55.320 47.087 14.681 1.00 0.00 SBOX C ATOM 1870 N4 CYT A 65 56.629 47.114 14.599 1.00 0.00 SBOX N ATOM 1871 H41 CYT A 65 57.054 46.482 13.936 1.00 0.00 SBOX ATOM 1872 H42 CYT A 65 57.188 47.617 15.273 1.00 0.00 SBOX ATOM 1873 N3 CYT A 65 54.663 46.353 13.845 1.00 0.00 SBOX N ATOM 1874 C2 CYT A 65 53.298 46.477 13.906 1.00 0.00 SBOX C ATOM 1875 O2 CYT A 65 52.716 45.739 13.114 1.00 0.00 SBOX O ATOM 1876 C3' CYT A 65 50.274 46.758 16.879 1.00 0.00 SBOX C ATOM 1877 H3' CYT A 65 51.205 47.011 17.385 1.00 0.00 SBOX ATOM 1878 C2' CYT A 65 50.508 46.023 15.552 1.00 0.00 SBOX C ATOM 1879 H2'' CYT A 65 51.272 45.261 15.703 1.00 0.00 SBOX ATOM 1880 O2' CYT A 65 49.368 45.609 14.870 1.00 0.00 SBOX O ATOM 1881 H2' CYT A 65 48.527 45.877 15.248 1.00 0.00 SBOX ATOM 1882 O3' CYT A 65 49.375 46.121 17.781 1.00 0.00 SBOX O ATOM 1883 P CYT A 66 49.879 44.890 18.717 1.00 0.00 SBOX P ATOM 1884 O1P CYT A 66 51.086 45.326 19.456 1.00 0.00 SBOX ATOM 1885 O2P CYT A 66 48.731 44.507 19.480 1.00 0.00 SBOX ATOM 1886 O5' CYT A 66 50.348 43.800 17.631 1.00 0.00 SBOX O ATOM 1887 C5' CYT A 66 49.418 42.973 16.977 1.00 0.00 SBOX C ATOM 1888 H5' CYT A 66 48.759 43.594 16.371 1.00 0.00 SBOX ATOM 1889 H5'' CYT A 66 48.749 42.433 17.646 1.00 0.00 SBOX ATOM 1890 C4' CYT A 66 50.043 41.935 16.051 1.00 0.00 SBOX C ATOM 1891 H4' CYT A 66 49.202 41.440 15.564 1.00 0.00 SBOX ATOM 1892 O4' CYT A 66 50.859 42.522 15.051 1.00 0.00 SBOX O ATOM 1893 C1' CYT A 66 52.084 41.769 14.964 1.00 0.00 SBOX C ATOM 1894 H1' CYT A 66 52.237 41.489 13.922 1.00 0.00 SBOX ATOM 1895 N1 CYT A 66 53.319 42.417 15.553 1.00 0.00 SBOX N ATOM 1896 C6 CYT A 66 53.346 43.524 16.368 1.00 0.00 SBOX C ATOM 1897 H6 CYT A 66 52.449 43.884 16.849 1.00 0.00 SBOX ATOM 1898 C5 CYT A 66 54.479 44.201 16.606 1.00 0.00 SBOX C ATOM 1899 H5 CYT A 66 54.481 45.167 17.088 1.00 0.00 SBOX ATOM 1900 C4 CYT A 66 55.676 43.590 16.141 1.00 0.00 SBOX C ATOM 1901 N4 CYT A 66 56.813 44.076 16.456 1.00 0.00 SBOX N ATOM 1902 H41 CYT A 66 57.655 43.564 16.234 1.00 0.00 SBOX ATOM 1903 H42 CYT A 66 56.898 44.927 16.994 1.00 0.00 SBOX ATOM 1904 N3 CYT A 66 55.655 42.469 15.413 1.00 0.00 SBOX N ATOM 1905 C2 CYT A 66 54.483 41.927 15.140 1.00 0.00 SBOX C ATOM 1906 O2 CYT A 66 54.504 40.884 14.493 1.00 0.00 SBOX O ATOM 1907 C3' CYT A 66 50.790 40.904 16.811 1.00 0.00 SBOX C ATOM 1908 H3' CYT A 66 51.283 41.413 17.639 1.00 0.00 SBOX ATOM 1909 C2' CYT A 66 51.767 40.480 15.698 1.00 0.00 SBOX C ATOM 1910 H2'' CYT A 66 52.661 40.061 16.161 1.00 0.00 SBOX ATOM 1911 O2' CYT A 66 51.182 39.604 14.767 1.00 0.00 SBOX O ATOM 1912 H2' CYT A 66 50.315 39.422 15.138 1.00 0.00 SBOX ATOM 1913 O3' CYT A 66 49.958 39.765 17.171 1.00 0.00 SBOX O ATOM 1914 P URA A 67 50.115 39.040 18.560 1.00 0.00 SBOX P ATOM 1915 O1P URA A 67 50.254 39.996 19.605 1.00 0.00 SBOX ATOM 1916 O2P URA A 67 48.944 38.058 18.624 1.00 0.00 SBOX ATOM 1917 O5' URA A 67 51.368 38.074 18.396 1.00 0.00 SBOX O ATOM 1918 C5' URA A 67 51.522 37.039 17.415 1.00 0.00 SBOX C ATOM 1919 H5' URA A 67 51.097 37.411 16.482 1.00 0.00 SBOX ATOM 1920 H5'' URA A 67 51.177 36.026 17.621 1.00 0.00 SBOX ATOM 1921 C4' URA A 67 53.030 36.835 17.097 1.00 0.00 SBOX C ATOM 1922 H4' URA A 67 53.116 36.021 16.377 1.00 0.00 SBOX ATOM 1923 O4' URA A 67 53.547 38.037 16.515 1.00 0.00 SBOX O ATOM 1924 C1' URA A 67 54.878 38.111 16.982 1.00 0.00 SBOX C ATOM 1925 H1' URA A 67 55.448 37.980 16.062 1.00 0.00 SBOX ATOM 1926 N1 URA A 67 55.157 39.429 17.682 1.00 0.00 SBOX N ATOM 1927 C6 URA A 67 54.265 39.977 18.574 1.00 0.00 SBOX C ATOM 1928 H6 URA A 67 53.390 39.405 18.842 1.00 0.00 SBOX ATOM 1929 C5 URA A 67 54.654 41.056 19.338 1.00 0.00 SBOX C ATOM 1930 H5 URA A 67 54.083 41.575 20.095 1.00 0.00 SBOX ATOM 1931 C4 URA A 67 55.875 41.783 18.990 1.00 0.00 SBOX C ATOM 1932 O4 URA A 67 56.149 42.966 19.350 1.00 0.00 SBOX O ATOM 1933 N3 URA A 67 56.692 41.136 18.154 1.00 0.00 SBOX N ATOM 1934 H3 URA A 67 57.522 41.653 17.899 1.00 0.00 SBOX ATOM 1935 C2 URA A 67 56.464 40.035 17.495 1.00 0.00 SBOX C ATOM 1936 O2 URA A 67 57.402 39.516 16.902 1.00 0.00 SBOX O ATOM 1937 C3' URA A 67 53.812 36.404 18.339 1.00 0.00 SBOX C ATOM 1938 H3' URA A 67 53.390 36.979 19.163 1.00 0.00 SBOX ATOM 1939 C2' URA A 67 55.190 36.950 17.961 1.00 0.00 SBOX C ATOM 1940 H2'' URA A 67 55.683 37.434 18.804 1.00 0.00 SBOX ATOM 1941 O2' URA A 67 56.007 35.948 17.313 1.00 0.00 SBOX O ATOM 1942 H2' URA A 67 56.149 35.224 17.927 1.00 0.00 SBOX ATOM 1943 O3' URA A 67 53.716 34.991 18.474 1.00 0.00 SBOX O ATOM 1944 P GUA A 68 54.258 34.257 19.718 1.00 0.00 SBOX P ATOM 1945 O1P GUA A 68 53.857 35.016 20.917 1.00 0.00 SBOX ATOM 1946 O2P GUA A 68 53.865 32.865 19.628 1.00 0.00 SBOX ATOM 1947 O5' GUA A 68 55.841 34.358 19.655 1.00 0.00 SBOX O ATOM 1948 C5' GUA A 68 56.791 33.493 19.124 1.00 0.00 SBOX C ATOM 1949 H5' GUA A 68 56.636 33.346 18.055 1.00 0.00 SBOX ATOM 1950 H5'' GUA A 68 56.599 32.530 19.598 1.00 0.00 SBOX ATOM 1951 C4' GUA A 68 58.281 33.962 19.167 1.00 0.00 SBOX C ATOM 1952 H4' GUA A 68 58.988 33.359 18.597 1.00 0.00 SBOX ATOM 1953 O4' GUA A 68 58.413 35.219 18.616 1.00 0.00 SBOX O ATOM 1954 C1' GUA A 68 59.397 35.971 19.302 1.00 0.00 SBOX C ATOM 1955 H1' GUA A 68 60.181 36.264 18.605 1.00 0.00 SBOX ATOM 1956 N9 GUA A 68 58.830 37.212 19.879 1.00 0.00 SBOX N ATOM 1957 C8 GUA A 68 57.504 37.370 20.378 1.00 0.00 SBOX C ATOM 1958 H8 GUA A 68 56.812 36.549 20.495 1.00 0.00 SBOX ATOM 1959 N7 GUA A 68 57.167 38.590 20.706 1.00 0.00 SBOX N ATOM 1960 C5 GUA A 68 58.459 39.268 20.474 1.00 0.00 SBOX C ATOM 1961 C6 GUA A 68 58.850 40.628 20.696 1.00 0.00 SBOX C ATOM 1962 O6 GUA A 68 58.144 41.630 21.030 1.00 0.00 SBOX O ATOM 1963 N1 GUA A 68 60.184 40.841 20.516 1.00 0.00 SBOX N ATOM 1964 H1 GUA A 68 60.463 41.803 20.649 1.00 0.00 SBOX ATOM 1965 C2 GUA A 68 61.108 39.862 20.335 1.00 0.00 SBOX C ATOM 1966 N2 GUA A 68 62.288 40.331 20.215 1.00 0.00 SBOX N ATOM 1967 H21 GUA A 68 62.436 41.250 20.606 1.00 0.00 SBOX ATOM 1968 H22 GUA A 68 63.050 39.682 20.083 1.00 0.00 SBOX ATOM 1969 N3 GUA A 68 60.802 38.586 19.987 1.00 0.00 SBOX N ATOM 1970 C4 GUA A 68 59.448 38.409 20.101 1.00 0.00 SBOX C ATOM 1971 C3' GUA A 68 58.774 34.156 20.661 1.00 0.00 SBOX C ATOM 1972 H3' GUA A 68 58.017 34.722 21.204 1.00 0.00 SBOX ATOM 1973 C2' GUA A 68 59.893 35.185 20.477 1.00 0.00 SBOX C ATOM 1974 H2'' GUA A 68 60.026 35.688 21.435 1.00 0.00 SBOX ATOM 1975 O2' GUA A 68 61.063 34.596 19.968 1.00 0.00 SBOX O ATOM 1976 H2' GUA A 68 61.012 33.641 20.048 1.00 0.00 SBOX ATOM 1977 O3' GUA A 68 58.972 32.953 21.418 1.00 0.00 SBOX O ATOM 1978 P CYT A 69 59.718 31.674 20.875 1.00 0.00 SBOX P ATOM 1979 O1P CYT A 69 58.920 31.017 19.857 1.00 0.00 SBOX ATOM 1980 O2P CYT A 69 61.178 32.103 20.589 1.00 0.00 SBOX ATOM 1981 O5' CYT A 69 59.663 30.685 22.192 1.00 0.00 SBOX O ATOM 1982 C5' CYT A 69 60.426 31.021 23.396 1.00 0.00 SBOX C ATOM 1983 H5' CYT A 69 60.809 32.041 23.422 1.00 0.00 SBOX ATOM 1984 H5'' CYT A 69 61.328 30.409 23.385 1.00 0.00 SBOX ATOM 1985 C4' CYT A 69 59.597 30.714 24.611 1.00 0.00 SBOX C ATOM 1986 H4' CYT A 69 60.263 30.421 25.422 1.00 0.00 SBOX ATOM 1987 O4' CYT A 69 58.831 31.795 25.074 1.00 0.00 SBOX O ATOM 1988 C1' CYT A 69 57.630 31.348 25.708 1.00 0.00 SBOX C ATOM 1989 H1' CYT A 69 57.657 31.744 26.723 1.00 0.00 SBOX ATOM 1990 N1 CYT A 69 56.542 31.956 24.972 1.00 0.00 SBOX N ATOM 1991 C6 CYT A 69 56.615 32.302 23.657 1.00 0.00 SBOX C ATOM 1992 H6 CYT A 69 57.513 32.165 23.073 1.00 0.00 SBOX ATOM 1993 C5 CYT A 69 55.513 32.896 23.144 1.00 0.00 SBOX C ATOM 1994 H5 CYT A 69 55.501 33.184 22.103 1.00 0.00 SBOX ATOM 1995 C4 CYT A 69 54.301 32.913 23.859 1.00 0.00 SBOX C ATOM 1996 N4 CYT A 69 53.287 33.612 23.377 1.00 0.00 SBOX N ATOM 1997 H41 CYT A 69 52.419 33.737 23.879 1.00 0.00 SBOX ATOM 1998 H42 CYT A 69 53.384 34.110 22.504 1.00 0.00 SBOX ATOM 1999 N3 CYT A 69 54.132 32.476 25.088 1.00 0.00 SBOX N ATOM 2000 C2 CYT A 69 55.312 32.009 25.653 1.00 0.00 SBOX C ATOM 2001 O2 CYT A 69 55.311 31.711 26.854 1.00 0.00 SBOX O ATOM 2002 C3' CYT A 69 58.710 29.462 24.562 1.00 0.00 SBOX C ATOM 2003 H3' CYT A 69 58.184 29.445 23.607 1.00 0.00 SBOX ATOM 2004 C2' CYT A 69 57.817 29.822 25.764 1.00 0.00 SBOX C ATOM 2005 H2'' CYT A 69 56.898 29.237 25.723 1.00 0.00 SBOX ATOM 2006 O2' CYT A 69 58.437 29.624 26.999 1.00 0.00 SBOX O ATOM 2007 H2' CYT A 69 57.847 29.838 27.726 1.00 0.00 SBOX ATOM 2008 O3' CYT A 69 59.355 28.204 24.791 1.00 0.00 SBOX O ATOM 2009 P ADE A 70 58.725 26.820 24.286 1.00 0.00 SBOX P ATOM 2010 O1P ADE A 70 58.450 26.923 22.815 1.00 0.00 SBOX ATOM 2011 O2P ADE A 70 59.607 25.742 24.813 1.00 0.00 SBOX ATOM 2012 O5' ADE A 70 57.309 26.891 25.082 1.00 0.00 SBOX O ATOM 2013 C5' ADE A 70 57.330 26.447 26.416 1.00 0.00 SBOX C ATOM 2014 H5' ADE A 70 58.052 27.034 26.984 1.00 0.00 SBOX ATOM 2015 H5'' ADE A 70 57.585 25.395 26.544 1.00 0.00 SBOX ATOM 2016 C4' ADE A 70 55.887 26.529 27.005 1.00 0.00 SBOX C ATOM 2017 H4' ADE A 70 55.887 26.167 28.033 1.00 0.00 SBOX ATOM 2018 O4' ADE A 70 55.529 27.887 27.023 1.00 0.00 SBOX O ATOM 2019 C1' ADE A 70 54.129 28.042 26.956 1.00 0.00 SBOX C ATOM 2020 H1' ADE A 70 53.634 28.494 27.816 1.00 0.00 SBOX ATOM 2021 N9 ADE A 70 53.651 28.743 25.681 1.00 0.00 SBOX N ATOM 2022 C8 ADE A 70 54.266 28.892 24.497 1.00 0.00 SBOX C ATOM 2023 H8 ADE A 70 55.213 28.404 24.317 1.00 0.00 SBOX ATOM 2024 N7 ADE A 70 53.602 29.615 23.630 1.00 0.00 SBOX N ATOM 2025 C5 ADE A 70 52.415 29.964 24.340 1.00 0.00 SBOX C ATOM 2026 C6 ADE A 70 51.301 30.766 24.092 1.00 0.00 SBOX C ATOM 2027 N6 ADE A 70 50.941 31.410 23.053 1.00 0.00 SBOX N ATOM 2028 H61 ADE A 70 50.054 31.888 23.122 1.00 0.00 SBOX ATOM 2029 H62 ADE A 70 51.534 31.403 22.236 1.00 0.00 SBOX ATOM 2030 N1 ADE A 70 50.297 30.853 24.968 1.00 0.00 SBOX N ATOM 2031 C2 ADE A 70 50.378 30.239 26.132 1.00 0.00 SBOX C ATOM 2032 H2 ADE A 70 49.516 30.315 26.778 1.00 0.00 SBOX ATOM 2033 N3 ADE A 70 51.493 29.501 26.526 1.00 0.00 SBOX N ATOM 2034 C4 ADE A 70 52.473 29.433 25.573 1.00 0.00 SBOX C ATOM 2035 C3' ADE A 70 54.771 25.754 26.355 1.00 0.00 SBOX C ATOM 2036 H3' ADE A 70 54.787 25.948 25.283 1.00 0.00 SBOX ATOM 2037 C2' ADE A 70 53.609 26.595 26.954 1.00 0.00 SBOX C ATOM 2038 H2'' ADE A 70 52.704 26.554 26.348 1.00 0.00 SBOX ATOM 2039 O2' ADE A 70 53.253 26.387 28.358 1.00 0.00 SBOX O ATOM 2040 H2' ADE A 70 52.471 25.848 28.499 1.00 0.00 SBOX ATOM 2041 O3' ADE A 70 54.881 24.398 26.674 1.00 0.00 SBOX O ATOM 2042 P GUA A 71 53.943 23.323 26.017 1.00 0.00 SBOX P ATOM 2043 O1P GUA A 71 53.984 23.539 24.622 1.00 0.00 SBOX ATOM 2044 O2P GUA A 71 54.286 21.982 26.547 1.00 0.00 SBOX ATOM 2045 O5' GUA A 71 52.508 23.848 26.586 1.00 0.00 SBOX O ATOM 2046 C5' GUA A 71 52.048 23.464 27.901 1.00 0.00 SBOX C ATOM 2047 H5' GUA A 71 52.790 23.747 28.648 1.00 0.00 SBOX ATOM 2048 H5'' GUA A 71 52.075 22.374 27.903 1.00 0.00 SBOX ATOM 2049 C4' GUA A 71 50.622 23.994 28.235 1.00 0.00 SBOX C ATOM 2050 H4' GUA A 71 50.308 23.775 29.255 1.00 0.00 SBOX ATOM 2051 O4' GUA A 71 50.416 25.347 28.084 1.00 0.00 SBOX O ATOM 2052 C1' GUA A 71 49.155 25.680 27.460 1.00 0.00 SBOX C ATOM 2053 H1' GUA A 71 48.667 26.341 28.176 1.00 0.00 SBOX ATOM 2054 N9 GUA A 71 49.352 26.304 26.067 1.00 0.00 SBOX N ATOM 2055 C8 GUA A 71 50.360 26.254 25.128 1.00 0.00 SBOX C ATOM 2056 H8 GUA A 71 51.190 25.574 25.252 1.00 0.00 SBOX ATOM 2057 N7 GUA A 71 50.172 26.991 24.082 1.00 0.00 SBOX N ATOM 2058 C5 GUA A 71 48.972 27.617 24.364 1.00 0.00 SBOX C ATOM 2059 C6 GUA A 71 48.206 28.539 23.583 1.00 0.00 SBOX C ATOM 2060 O6 GUA A 71 48.506 29.162 22.532 1.00 0.00 SBOX O ATOM 2061 N1 GUA A 71 46.989 28.740 24.116 1.00 0.00 SBOX N ATOM 2062 H1 GUA A 71 46.323 29.243 23.547 1.00 0.00 SBOX ATOM 2063 C2 GUA A 71 46.617 28.424 25.341 1.00 0.00 SBOX C ATOM 2064 N2 GUA A 71 45.402 28.794 25.629 1.00 0.00 SBOX N ATOM 2065 H21 GUA A 71 44.740 29.136 24.947 1.00 0.00 SBOX ATOM 2066 H22 GUA A 71 45.089 28.088 26.281 1.00 0.00 SBOX ATOM 2067 N3 GUA A 71 47.241 27.593 26.127 1.00 0.00 SBOX N ATOM 2068 C4 GUA A 71 48.414 27.185 25.565 1.00 0.00 SBOX C ATOM 2069 C3' GUA A 71 49.704 23.374 27.213 1.00 0.00 SBOX C ATOM 2070 H3' GUA A 71 50.206 23.350 26.246 1.00 0.00 SBOX ATOM 2071 C2' GUA A 71 48.506 24.289 27.351 1.00 0.00 SBOX C ATOM 2072 H2'' GUA A 71 47.835 24.374 26.496 1.00 0.00 SBOX ATOM 2073 O2' GUA A 71 47.765 24.205 28.550 1.00 0.00 SBOX O ATOM 2074 H2' GUA A 71 46.973 24.723 28.387 1.00 0.00 SBOX ATOM 2075 O3' GUA A 71 49.345 22.003 27.458 1.00 0.00 SBOX O ATOM 2076 P CYT A 72 48.859 21.081 26.325 1.00 0.00 SBOX P ATOM 2077 O1P CYT A 72 49.858 21.018 25.256 1.00 0.00 SBOX ATOM 2078 O2P CYT A 72 48.529 19.794 26.922 1.00 0.00 SBOX ATOM 2079 O5' CYT A 72 47.537 21.564 25.757 1.00 0.00 SBOX O ATOM 2080 C5' CYT A 72 46.443 21.603 26.656 1.00 0.00 SBOX C ATOM 2081 H5' CYT A 72 46.606 22.075 27.625 1.00 0.00 SBOX ATOM 2082 H5'' CYT A 72 46.110 20.570 26.759 1.00 0.00 SBOX ATOM 2083 C4' CYT A 72 45.310 22.347 25.986 1.00 0.00 SBOX C ATOM 2084 H4' CYT A 72 44.402 22.169 26.562 1.00 0.00 SBOX ATOM 2085 O4' CYT A 72 45.708 23.688 25.810 1.00 0.00 SBOX O ATOM 2086 C1' CYT A 72 44.865 24.214 24.809 1.00 0.00 SBOX C ATOM 2087 H1' CYT A 72 44.227 25.036 25.134 1.00 0.00 SBOX ATOM 2088 N1 CYT A 72 45.693 24.834 23.737 1.00 0.00 SBOX N ATOM 2089 C6 CYT A 72 47.016 24.407 23.555 1.00 0.00 SBOX C ATOM 2090 H6 CYT A 72 47.344 23.560 24.140 1.00 0.00 SBOX ATOM 2091 C5 CYT A 72 47.801 24.983 22.587 1.00 0.00 SBOX C ATOM 2092 H5 CYT A 72 48.822 24.669 22.429 1.00 0.00 SBOX ATOM 2093 C4 CYT A 72 47.202 26.030 21.811 1.00 0.00 SBOX C ATOM 2094 N4 CYT A 72 47.979 26.745 21.048 1.00 0.00 SBOX N ATOM 2095 H41 CYT A 72 47.626 27.459 20.427 1.00 0.00 SBOX ATOM 2096 H42 CYT A 72 48.900 26.351 20.917 1.00 0.00 SBOX ATOM 2097 N3 CYT A 72 45.958 26.396 21.904 1.00 0.00 SBOX N ATOM 2098 C2 CYT A 72 45.152 25.814 22.824 1.00 0.00 SBOX C ATOM 2099 O2 CYT A 72 43.971 26.139 22.926 1.00 0.00 SBOX O ATOM 2100 C3' CYT A 72 44.979 21.855 24.524 1.00 0.00 SBOX C ATOM 2101 H3' CYT A 72 45.862 21.946 23.893 1.00 0.00 SBOX ATOM 2102 C2' CYT A 72 44.012 23.082 24.207 1.00 0.00 SBOX C ATOM 2103 H2'' CYT A 72 43.927 23.137 23.122 1.00 0.00 SBOX ATOM 2104 O2' CYT A 72 42.720 23.152 24.809 1.00 0.00 SBOX O ATOM 2105 H2' CYT A 72 42.076 23.558 24.224 1.00 0.00 SBOX ATOM 2106 O3' CYT A 72 44.371 20.572 24.428 1.00 0.00 SBOX O ATOM 2107 P GUA A 73 44.351 19.717 23.126 1.00 0.00 SBOX P ATOM 2108 O1P GUA A 73 45.707 19.532 22.548 1.00 0.00 SBOX ATOM 2109 O2P GUA A 73 43.600 18.518 23.428 1.00 0.00 SBOX ATOM 2110 O5' GUA A 73 43.569 20.549 22.076 1.00 0.00 SBOX O ATOM 2111 C5' GUA A 73 42.150 20.793 22.189 1.00 0.00 SBOX C ATOM 2112 H5' GUA A 73 42.040 21.376 23.103 1.00 0.00 SBOX ATOM 2113 H5'' GUA A 73 41.618 19.842 22.143 1.00 0.00 SBOX ATOM 2114 C4' GUA A 73 41.630 21.789 21.093 1.00 0.00 SBOX C ATOM 2115 H4' GUA A 73 40.594 21.954 21.390 1.00 0.00 SBOX ATOM 2116 O4' GUA A 73 42.344 23.083 21.103 1.00 0.00 SBOX O ATOM 2117 C1' GUA A 73 42.284 23.729 19.832 1.00 0.00 SBOX C ATOM 2118 H1' GUA A 73 41.718 24.659 19.877 1.00 0.00 SBOX ATOM 2119 N9 GUA A 73 43.693 23.927 19.447 1.00 0.00 SBOX N ATOM 2120 C8 GUA A 73 44.885 23.494 20.035 1.00 0.00 SBOX C ATOM 2121 H8 GUA A 73 44.897 22.812 20.873 1.00 0.00 SBOX ATOM 2122 N7 GUA A 73 45.974 23.948 19.489 1.00 0.00 SBOX N ATOM 2123 C5 GUA A 73 45.506 24.580 18.365 1.00 0.00 SBOX C ATOM 2124 C6 GUA A 73 46.154 25.201 17.213 1.00 0.00 SBOX C ATOM 2125 O6 GUA A 73 47.319 25.337 16.988 1.00 0.00 SBOX O ATOM 2126 N1 GUA A 73 45.335 25.748 16.307 1.00 0.00 SBOX N ATOM 2127 H1 GUA A 73 45.768 26.463 15.740 1.00 0.00 SBOX ATOM 2128 C2 GUA A 73 44.036 25.802 16.393 1.00 0.00 SBOX C ATOM 2129 N2 GUA A 73 43.264 26.481 15.479 1.00 0.00 SBOX N ATOM 2130 H21 GUA A 73 43.741 26.949 14.722 1.00 0.00 SBOX ATOM 2131 H22 GUA A 73 42.263 26.402 15.592 1.00 0.00 SBOX ATOM 2132 N3 GUA A 73 43.349 25.231 17.400 1.00 0.00 SBOX N ATOM 2133 C4 GUA A 73 44.109 24.536 18.310 1.00 0.00 SBOX C ATOM 2134 C3' GUA A 73 41.767 21.278 19.604 1.00 0.00 SBOX C ATOM 2135 H3' GUA A 73 42.748 20.898 19.318 1.00 0.00 SBOX ATOM 2136 C2' GUA A 73 41.582 22.685 18.883 1.00 0.00 SBOX C ATOM 2137 H2'' GUA A 73 42.003 22.640 17.879 1.00 0.00 SBOX ATOM 2138 O2' GUA A 73 40.190 23.107 18.951 1.00 0.00 SBOX O ATOM 2139 H2' GUA A 73 40.008 23.605 18.150 1.00 0.00 SBOX ATOM 2140 O3' GUA A 73 40.707 20.415 19.289 1.00 0.00 SBOX O ATOM 2141 P GUA A 74 41.051 18.991 18.717 1.00 0.00 SBOX P ATOM 2142 O1P GUA A 74 42.066 18.325 19.496 1.00 0.00 SBOX ATOM 2143 O2P GUA A 74 39.737 18.261 18.574 1.00 0.00 SBOX ATOM 2144 O5' GUA A 74 41.530 19.376 17.233 1.00 0.00 SBOX O ATOM 2145 C5' GUA A 74 42.794 19.958 16.898 1.00 0.00 SBOX C ATOM 2146 H5' GUA A 74 43.538 19.264 17.291 1.00 0.00 SBOX ATOM 2147 H5'' GUA A 74 43.018 20.918 17.363 1.00 0.00 SBOX ATOM 2148 C4' GUA A 74 43.015 20.180 15.393 1.00 0.00 SBOX C ATOM 2149 H4' GUA A 74 42.082 19.840 14.942 1.00 0.00 SBOX ATOM 2150 O4' GUA A 74 43.195 21.610 15.119 1.00 0.00 SBOX O ATOM 2151 C1' GUA A 74 44.369 21.830 14.333 1.00 0.00 SBOX C ATOM 2152 H1' GUA A 74 44.130 22.482 13.492 1.00 0.00 SBOX ATOM 2153 N9 GUA A 74 45.576 22.287 15.002 1.00 0.00 SBOX N ATOM 2154 C8 GUA A 74 46.146 21.954 16.164 1.00 0.00 SBOX C ATOM 2155 H8 GUA A 74 45.618 21.359 16.893 1.00 0.00 SBOX ATOM 2156 N7 GUA A 74 47.385 22.359 16.358 1.00 0.00 SBOX N ATOM 2157 C5 GUA A 74 47.667 23.032 15.204 1.00 0.00 SBOX C ATOM 2158 C6 GUA A 74 48.872 23.632 14.751 1.00 0.00 SBOX C ATOM 2159 O6 GUA A 74 50.009 23.695 15.244 1.00 0.00 SBOX O ATOM 2160 N1 GUA A 74 48.698 24.218 13.484 1.00 0.00 SBOX N ATOM 2161 H1 GUA A 74 49.425 24.800 13.093 1.00 0.00 SBOX ATOM 2162 C2 GUA A 74 47.491 24.338 12.938 1.00 0.00 SBOX C ATOM 2163 N2 GUA A 74 47.531 25.284 12.101 1.00 0.00 SBOX N ATOM 2164 H21 GUA A 74 48.294 25.858 11.773 1.00 0.00 SBOX ATOM 2165 H22 GUA A 74 46.589 25.444 11.773 1.00 0.00 SBOX ATOM 2166 N3 GUA A 74 46.338 23.779 13.228 1.00 0.00 SBOX N ATOM 2167 C4 GUA A 74 46.523 23.090 14.403 1.00 0.00 SBOX C ATOM 2168 C3' GUA A 74 44.226 19.511 14.675 1.00 0.00 SBOX C ATOM 2169 H3' GUA A 74 45.031 19.170 15.325 1.00 0.00 SBOX ATOM 2170 C2' GUA A 74 44.637 20.527 13.642 1.00 0.00 SBOX C ATOM 2171 H2'' GUA A 74 45.700 20.365 13.463 1.00 0.00 SBOX ATOM 2172 O2' GUA A 74 43.819 20.680 12.472 1.00 0.00 SBOX O ATOM 2173 H2' GUA A 74 44.349 20.955 11.721 1.00 0.00 SBOX ATOM 2174 O3' GUA A 74 43.613 18.340 14.094 1.00 0.00 SBOX O ATOM 2175 P ADE A 75 44.511 17.004 13.857 1.00 0.00 SBOX P ATOM 2176 O1P ADE A 75 45.102 16.644 15.173 1.00 0.00 SBOX ATOM 2177 O2P ADE A 75 43.596 15.998 13.251 1.00 0.00 SBOX ATOM 2178 O5' ADE A 75 45.597 17.365 12.825 1.00 0.00 SBOX O ATOM 2179 C5' ADE A 75 46.679 16.472 12.604 1.00 0.00 SBOX C ATOM 2180 H5' ADE A 75 46.416 15.415 12.556 1.00 0.00 SBOX ATOM 2181 H5'' ADE A 75 47.326 16.569 13.476 1.00 0.00 SBOX ATOM 2182 C4' ADE A 75 47.496 16.931 11.385 1.00 0.00 SBOX C ATOM 2183 H4' ADE A 75 48.474 16.465 11.502 1.00 0.00 SBOX ATOM 2184 O4' ADE A 75 46.924 16.401 10.151 1.00 0.00 SBOX O ATOM 2185 C1' ADE A 75 46.974 17.492 9.224 1.00 0.00 SBOX C ATOM 2186 H1' ADE A 75 47.367 17.069 8.300 1.00 0.00 SBOX ATOM 2187 N9 ADE A 75 45.619 17.906 8.925 1.00 0.00 SBOX N ATOM 2188 C8 ADE A 75 44.461 17.755 9.696 1.00 0.00 SBOX C ATOM 2189 H8 ADE A 75 44.505 17.283 10.667 1.00 0.00 SBOX ATOM 2190 N7 ADE A 75 43.386 18.102 9.107 1.00 0.00 SBOX N ATOM 2191 C5 ADE A 75 43.786 18.713 7.919 1.00 0.00 SBOX C ATOM 2192 C6 ADE A 75 43.241 19.432 6.797 1.00 0.00 SBOX C ATOM 2193 N6 ADE A 75 41.982 19.607 6.615 1.00 0.00 SBOX N ATOM 2194 H61 ADE A 75 41.674 20.039 5.756 1.00 0.00 SBOX ATOM 2195 H62 ADE A 75 41.318 19.279 7.301 1.00 0.00 SBOX ATOM 2196 N1 ADE A 75 43.896 19.827 5.739 1.00 0.00 SBOX N ATOM 2197 C2 ADE A 75 45.218 19.734 5.807 1.00 0.00 SBOX C ATOM 2198 H2 ADE A 75 45.752 20.089 4.938 1.00 0.00 SBOX ATOM 2199 N3 ADE A 75 45.861 19.227 6.807 1.00 0.00 SBOX N ATOM 2200 C4 ADE A 75 45.164 18.680 7.837 1.00 0.00 SBOX C ATOM 2201 C3' ADE A 75 47.740 18.398 11.363 1.00 0.00 SBOX C ATOM 2202 H3' ADE A 75 46.925 19.025 11.723 1.00 0.00 SBOX ATOM 2203 C2' ADE A 75 47.858 18.604 9.826 1.00 0.00 SBOX C ATOM 2204 H2'' ADE A 75 47.426 19.475 9.333 1.00 0.00 SBOX ATOM 2205 O2' ADE A 75 49.288 18.363 9.574 1.00 0.00 SBOX O ATOM 2206 H2' ADE A 75 49.726 18.029 10.360 1.00 0.00 SBOX ATOM 2207 O3' ADE A 75 48.976 18.685 12.023 1.00 0.00 SBOX O ATOM 2208 P ADE A 76 49.407 20.166 12.589 1.00 0.00 SBOX P ATOM 2209 O1P ADE A 76 48.325 20.597 13.483 1.00 0.00 SBOX ATOM 2210 O2P ADE A 76 50.721 19.993 13.146 1.00 0.00 SBOX ATOM 2211 O5' ADE A 76 49.428 21.106 11.343 1.00 0.00 SBOX O ATOM 2212 C5' ADE A 76 50.570 21.298 10.536 1.00 0.00 SBOX C ATOM 2213 H5' ADE A 76 50.838 20.388 10.000 1.00 0.00 SBOX ATOM 2214 H5'' ADE A 76 51.461 21.693 11.024 1.00 0.00 SBOX ATOM 2215 C4' ADE A 76 50.258 22.285 9.407 1.00 0.00 SBOX C ATOM 2216 H4' ADE A 76 51.073 22.394 8.690 1.00 0.00 SBOX ATOM 2217 O4' ADE A 76 49.190 21.638 8.732 1.00 0.00 SBOX O ATOM 2218 C1' ADE A 76 48.164 22.690 8.367 1.00 0.00 SBOX C ATOM 2219 H1' ADE A 76 48.081 22.764 7.283 1.00 0.00 SBOX ATOM 2220 N9 ADE A 76 46.797 22.446 8.925 1.00 0.00 SBOX N ATOM 2221 C8 ADE A 76 46.486 21.839 10.121 1.00 0.00 SBOX C ATOM 2222 H8 ADE A 76 47.220 21.402 10.782 1.00 0.00 SBOX ATOM 2223 N7 ADE A 76 45.270 21.904 10.484 1.00 0.00 SBOX N ATOM 2224 C5 ADE A 76 44.670 22.546 9.372 1.00 0.00 SBOX C ATOM 2225 C6 ADE A 76 43.318 22.868 9.093 1.00 0.00 SBOX C ATOM 2226 N6 ADE A 76 42.268 22.664 9.784 1.00 0.00 SBOX N ATOM 2227 H61 ADE A 76 41.421 22.734 9.238 1.00 0.00 SBOX ATOM 2228 H62 ADE A 76 42.417 22.170 10.652 1.00 0.00 SBOX ATOM 2229 N1 ADE A 76 42.995 23.472 7.983 1.00 0.00 SBOX N ATOM 2230 C2 ADE A 76 44.016 23.784 7.189 1.00 0.00 SBOX C ATOM 2231 H2 ADE A 76 43.765 24.341 6.298 1.00 0.00 SBOX ATOM 2232 N3 ADE A 76 45.332 23.528 7.245 1.00 0.00 SBOX N ATOM 2233 C4 ADE A 76 45.612 22.913 8.424 1.00 0.00 SBOX C ATOM 2234 C3' ADE A 76 49.846 23.619 9.866 1.00 0.00 SBOX C ATOM 2235 H3' ADE A 76 49.551 23.534 10.911 1.00 0.00 SBOX ATOM 2236 C2' ADE A 76 48.711 24.011 8.867 1.00 0.00 SBOX C ATOM 2237 H2'' ADE A 76 47.989 24.715 9.279 1.00 0.00 SBOX ATOM 2238 O2' ADE A 76 49.277 24.540 7.657 1.00 0.00 SBOX O ATOM 2239 H2' ADE A 76 49.176 25.493 7.725 1.00 0.00 SBOX ATOM 2240 O3' ADE A 76 50.972 24.506 9.755 1.00 0.00 SBOX O ATOM 2241 P ADE A 77 50.980 25.933 10.508 1.00 0.00 SBOX P ATOM 2242 O1P ADE A 77 50.304 25.940 11.787 1.00 0.00 SBOX ATOM 2243 O2P ADE A 77 52.364 26.442 10.409 1.00 0.00 SBOX ATOM 2244 O5' ADE A 77 49.997 26.794 9.516 1.00 0.00 SBOX O ATOM 2245 C5' ADE A 77 50.454 27.395 8.342 1.00 0.00 SBOX C ATOM 2246 H5' ADE A 77 50.882 26.586 7.749 1.00 0.00 SBOX ATOM 2247 H5'' ADE A 77 51.187 28.178 8.534 1.00 0.00 SBOX ATOM 2248 C4' ADE A 77 49.313 28.031 7.582 1.00 0.00 SBOX C ATOM 2249 H4' ADE A 77 49.736 28.366 6.636 1.00 0.00 SBOX ATOM 2250 O4' ADE A 77 48.345 27.017 7.256 1.00 0.00 SBOX O ATOM 2251 C1' ADE A 77 47.076 27.708 7.133 1.00 0.00 SBOX C ATOM 2252 H1' ADE A 77 46.691 27.579 6.121 1.00 0.00 SBOX ATOM 2253 N9 ADE A 77 46.228 27.119 8.170 1.00 0.00 SBOX N ATOM 2254 C8 ADE A 77 46.630 26.720 9.468 1.00 0.00 SBOX C ATOM 2255 H8 ADE A 77 47.634 26.823 9.854 1.00 0.00 SBOX ATOM 2256 N7 ADE A 77 45.654 26.191 10.209 1.00 0.00 SBOX N ATOM 2257 C5 ADE A 77 44.523 26.380 9.375 1.00 0.00 SBOX C ATOM 2258 C6 ADE A 77 43.113 26.256 9.449 1.00 0.00 SBOX C ATOM 2259 N6 ADE A 77 42.376 25.899 10.466 1.00 0.00 SBOX N ATOM 2260 H61 ADE A 77 41.380 26.013 10.341 1.00 0.00 SBOX ATOM 2261 H62 ADE A 77 42.914 25.575 11.257 1.00 0.00 SBOX ATOM 2262 N1 ADE A 77 42.242 26.774 8.565 1.00 0.00 SBOX N ATOM 2263 C2 ADE A 77 42.788 27.321 7.500 1.00 0.00 SBOX C ATOM 2264 H2 ADE A 77 42.039 27.739 6.844 1.00 0.00 SBOX ATOM 2265 N3 ADE A 77 43.996 27.416 7.134 1.00 0.00 SBOX N ATOM 2266 C4 ADE A 77 44.850 26.953 8.134 1.00 0.00 SBOX C ATOM 2267 C3' ADE A 77 48.620 29.236 8.174 1.00 0.00 SBOX C ATOM 2268 H3' ADE A 77 48.255 29.296 9.199 1.00 0.00 SBOX ATOM 2269 C2' ADE A 77 47.275 29.196 7.375 1.00 0.00 SBOX C ATOM 2270 H2'' ADE A 77 46.397 29.555 7.911 1.00 0.00 SBOX ATOM 2271 O2' ADE A 77 47.488 29.810 6.109 1.00 0.00 SBOX O ATOM 2272 H2' ADE A 77 48.169 30.469 6.260 1.00 0.00 SBOX ATOM 2273 O3' ADE A 77 49.280 30.491 7.872 1.00 0.00 SBOX O ATOM 2274 P CYT A 78 49.719 31.450 8.977 1.00 0.00 SBOX P ATOM 2275 O1P CYT A 78 50.703 30.708 9.805 1.00 0.00 SBOX ATOM 2276 O2P CYT A 78 50.095 32.708 8.299 1.00 0.00 SBOX ATOM 2277 O5' CYT A 78 48.388 31.633 9.898 1.00 0.00 SBOX O ATOM 2278 C5' CYT A 78 47.094 31.936 9.358 1.00 0.00 SBOX C ATOM 2279 H5' CYT A 78 47.105 31.570 8.331 1.00 0.00 SBOX ATOM 2280 H5'' CYT A 78 46.935 33.012 9.423 1.00 0.00 SBOX ATOM 2281 C4' CYT A 78 45.872 31.278 10.025 1.00 0.00 SBOX C ATOM 2282 H4' CYT A 78 45.041 31.616 9.406 1.00 0.00 SBOX ATOM 2283 O4' CYT A 78 45.959 29.855 10.142 1.00 0.00 SBOX O ATOM 2284 C1' CYT A 78 45.395 29.387 11.447 1.00 0.00 SBOX C ATOM 2285 H1' CYT A 78 44.627 28.666 11.165 1.00 0.00 SBOX ATOM 2286 N1 CYT A 78 46.384 28.778 12.379 1.00 0.00 SBOX N ATOM 2287 C6 CYT A 78 47.619 29.311 12.540 1.00 0.00 SBOX C ATOM 2288 H6 CYT A 78 48.046 30.041 11.868 1.00 0.00 SBOX ATOM 2289 C5 CYT A 78 48.340 28.822 13.564 1.00 0.00 SBOX C ATOM 2290 H5 CYT A 78 49.357 29.154 13.715 1.00 0.00 SBOX ATOM 2291 C4 CYT A 78 47.790 27.797 14.394 1.00 0.00 SBOX C ATOM 2292 N4 CYT A 78 48.587 27.112 15.099 1.00 0.00 SBOX N ATOM 2293 H41 CYT A 78 48.238 26.384 15.706 1.00 0.00 SBOX ATOM 2294 H42 CYT A 78 49.574 27.210 14.909 1.00 0.00 SBOX ATOM 2295 N3 CYT A 78 46.562 27.450 14.397 1.00 0.00 SBOX N ATOM 2296 C2 CYT A 78 45.830 27.999 13.384 1.00 0.00 SBOX C ATOM 2297 O2 CYT A 78 44.714 27.477 13.315 1.00 0.00 SBOX O ATOM 2298 C3' CYT A 78 45.666 31.792 11.425 1.00 0.00 SBOX C ATOM 2299 H3' CYT A 78 46.610 31.815 11.970 1.00 0.00 SBOX ATOM 2300 C2' CYT A 78 44.836 30.695 12.021 1.00 0.00 SBOX C ATOM 2301 H2'' CYT A 78 44.876 30.699 13.111 1.00 0.00 SBOX ATOM 2302 O2' CYT A 78 43.441 30.798 11.784 1.00 0.00 SBOX O ATOM 2303 H2' CYT A 78 43.069 31.125 12.606 1.00 0.00 SBOX ATOM 2304 O3' CYT A 78 45.046 33.090 11.568 1.00 0.00 SBOX O ATOM 2305 P GUA A 79 44.799 33.813 13.029 1.00 0.00 SBOX P ATOM 2306 O1P GUA A 79 46.167 33.907 13.591 1.00 0.00 SBOX ATOM 2307 O2P GUA A 79 44.152 35.129 12.618 1.00 0.00 SBOX ATOM 2308 O5' GUA A 79 43.744 32.967 13.889 1.00 0.00 SBOX O ATOM 2309 C5' GUA A 79 42.326 32.986 13.760 1.00 0.00 SBOX C ATOM 2310 H5' GUA A 79 42.005 32.607 12.790 1.00 0.00 SBOX ATOM 2311 H5'' GUA A 79 42.024 34.023 13.907 1.00 0.00 SBOX ATOM 2312 C4' GUA A 79 41.584 32.063 14.771 1.00 0.00 SBOX C ATOM 2313 H4' GUA A 79 40.533 31.929 14.516 1.00 0.00 SBOX ATOM 2314 O4' GUA A 79 42.129 30.744 14.800 1.00 0.00 SBOX O ATOM 2315 C1' GUA A 79 42.193 30.301 16.197 1.00 0.00 SBOX C ATOM 2316 H1' GUA A 79 41.756 29.305 16.273 1.00 0.00 SBOX ATOM 2317 N9 GUA A 79 43.564 30.290 16.694 1.00 0.00 SBOX N ATOM 2318 C8 GUA A 79 44.765 30.706 16.158 1.00 0.00 SBOX C ATOM 2319 H8 GUA A 79 44.758 31.508 15.435 1.00 0.00 SBOX ATOM 2320 N7 GUA A 79 45.827 30.175 16.688 1.00 0.00 SBOX N ATOM 2321 C5 GUA A 79 45.330 29.270 17.618 1.00 0.00 SBOX C ATOM 2322 C6 GUA A 79 45.958 28.359 18.572 1.00 0.00 SBOX C ATOM 2323 O6 GUA A 79 47.123 28.114 18.701 1.00 0.00 SBOX O ATOM 2324 N1 GUA A 79 45.102 27.744 19.449 1.00 0.00 SBOX N ATOM 2325 H1 GUA A 79 45.498 27.400 20.312 1.00 0.00 SBOX ATOM 2326 C2 GUA A 79 43.768 27.876 19.415 1.00 0.00 SBOX C ATOM 2327 N2 GUA A 79 43.167 27.251 20.382 1.00 0.00 SBOX N ATOM 2328 H21 GUA A 79 43.713 26.775 21.086 1.00 0.00 SBOX ATOM 2329 H22 GUA A 79 42.201 27.476 20.573 1.00 0.00 SBOX ATOM 2330 N3 GUA A 79 43.090 28.580 18.510 1.00 0.00 SBOX N ATOM 2331 C4 GUA A 79 43.931 29.284 17.656 1.00 0.00 SBOX C ATOM 2332 C3' GUA A 79 41.639 32.613 16.234 1.00 0.00 SBOX C ATOM 2333 H3' GUA A 79 42.682 32.812 16.480 1.00 0.00 SBOX ATOM 2334 C2' GUA A 79 41.375 31.352 17.066 1.00 0.00 SBOX C ATOM 2335 H2'' GUA A 79 41.710 31.374 18.103 1.00 0.00 SBOX ATOM 2336 O2' GUA A 79 39.975 30.974 17.057 1.00 0.00 SBOX O ATOM 2337 H2' GUA A 79 39.838 30.398 17.812 1.00 0.00 SBOX ATOM 2338 O3' GUA A 79 40.749 33.723 16.477 1.00 0.00 SBOX O ATOM 2339 P URA A 80 41.065 34.680 17.701 1.00 0.00 SBOX P ATOM 2340 O1P URA A 80 42.412 35.263 17.398 1.00 0.00 SBOX ATOM 2341 O2P URA A 80 39.896 35.534 17.964 1.00 0.00 SBOX ATOM 2342 O5' URA A 80 41.298 33.728 18.909 1.00 0.00 SBOX O ATOM 2343 C5' URA A 80 40.367 33.398 19.898 1.00 0.00 SBOX C ATOM 2344 H5' URA A 80 39.528 32.891 19.420 1.00 0.00 SBOX ATOM 2345 H5'' URA A 80 39.962 34.345 20.254 1.00 0.00 SBOX ATOM 2346 C4' URA A 80 40.855 32.588 21.012 1.00 0.00 SBOX C ATOM 2347 H4' URA A 80 40.124 31.911 21.455 1.00 0.00 SBOX ATOM 2348 O4' URA A 80 41.848 31.586 20.586 1.00 0.00 SBOX O ATOM 2349 C1' URA A 80 42.866 31.418 21.514 1.00 0.00 SBOX C ATOM 2350 H1' URA A 80 42.800 30.440 21.990 1.00 0.00 SBOX ATOM 2351 N1 URA A 80 44.257 31.465 20.959 1.00 0.00 SBOX N ATOM 2352 C6 URA A 80 44.588 32.294 19.908 1.00 0.00 SBOX C ATOM 2353 H6 URA A 80 43.850 32.853 19.352 1.00 0.00 SBOX ATOM 2354 C5 URA A 80 45.840 32.328 19.382 1.00 0.00 SBOX C ATOM 2355 H5 URA A 80 45.954 32.857 18.447 1.00 0.00 SBOX ATOM 2356 C4 URA A 80 46.889 31.587 19.962 1.00 0.00 SBOX C ATOM 2357 O4 URA A 80 48.095 31.458 19.666 1.00 0.00 SBOX O ATOM 2358 N3 URA A 80 46.529 30.911 21.070 1.00 0.00 SBOX N ATOM 2359 H3 URA A 80 47.260 30.539 21.661 1.00 0.00 SBOX ATOM 2360 C2 URA A 80 45.275 30.697 21.533 1.00 0.00 SBOX C ATOM 2361 O2 URA A 80 45.128 29.889 22.455 1.00 0.00 SBOX O ATOM 2362 C3' URA A 80 41.604 33.386 22.033 1.00 0.00 SBOX C ATOM 2363 H3' URA A 80 42.193 34.151 21.528 1.00 0.00 SBOX ATOM 2364 C2' URA A 80 42.549 32.341 22.668 1.00 0.00 SBOX C ATOM 2365 H2'' URA A 80 43.511 32.804 22.888 1.00 0.00 SBOX ATOM 2366 O2' URA A 80 41.996 31.567 23.719 1.00 0.00 SBOX O ATOM 2367 H2' URA A 80 42.178 31.959 24.577 1.00 0.00 SBOX ATOM 2368 O3' URA A 80 40.749 33.949 22.959 1.00 0.00 SBOX O ATOM 2369 P URA A 81 41.297 35.058 23.878 1.00 0.00 SBOX P ATOM 2370 O1P URA A 81 42.258 35.921 23.171 1.00 0.00 SBOX ATOM 2371 O2P URA A 81 40.059 35.660 24.393 1.00 0.00 SBOX ATOM 2372 O5' URA A 81 42.139 34.309 25.097 1.00 0.00 SBOX O ATOM 2373 C5' URA A 81 41.463 33.693 26.294 1.00 0.00 SBOX C ATOM 2374 H5' URA A 81 40.671 33.004 26.003 1.00 0.00 SBOX ATOM 2375 H5'' URA A 81 41.006 34.477 26.898 1.00 0.00 SBOX ATOM 2376 C4' URA A 81 42.540 32.884 26.980 1.00 0.00 SBOX C ATOM 2377 H4' URA A 81 42.082 32.213 27.706 1.00 0.00 SBOX ATOM 2378 O4' URA A 81 43.368 32.137 26.146 1.00 0.00 SBOX O ATOM 2379 C1' URA A 81 44.687 32.097 26.713 1.00 0.00 SBOX C ATOM 2380 H1' URA A 81 44.957 31.084 27.014 1.00 0.00 SBOX ATOM 2381 N1 URA A 81 45.769 32.579 25.771 1.00 0.00 SBOX N ATOM 2382 C6 URA A 81 45.491 33.441 24.729 1.00 0.00 SBOX C ATOM 2383 H6 URA A 81 44.572 33.998 24.624 1.00 0.00 SBOX ATOM 2384 C5 URA A 81 46.356 33.541 23.689 1.00 0.00 SBOX C ATOM 2385 H5 URA A 81 46.084 34.204 22.881 1.00 0.00 SBOX ATOM 2386 C4 URA A 81 47.593 32.813 23.648 1.00 0.00 SBOX C ATOM 2387 O4 URA A 81 48.505 32.832 22.805 1.00 0.00 SBOX O ATOM 2388 N3 URA A 81 47.807 32.094 24.755 1.00 0.00 SBOX N ATOM 2389 H3 URA A 81 48.764 31.801 24.890 1.00 0.00 SBOX ATOM 2390 C2 URA A 81 46.991 31.950 25.823 1.00 0.00 SBOX C ATOM 2391 O2 URA A 81 47.371 31.194 26.718 1.00 0.00 SBOX O ATOM 2392 C3' URA A 81 43.490 33.799 27.776 1.00 0.00 SBOX C ATOM 2393 H3' URA A 81 43.775 34.689 27.215 1.00 0.00 SBOX ATOM 2394 C2' URA A 81 44.656 32.852 28.010 1.00 0.00 SBOX C ATOM 2395 H2'' URA A 81 45.599 33.376 28.167 1.00 0.00 SBOX ATOM 2396 O2' URA A 81 44.268 31.935 29.020 1.00 0.00 SBOX O ATOM 2397 H2' URA A 81 45.014 31.480 29.416 1.00 0.00 SBOX ATOM 2398 O3' URA A 81 42.896 34.197 29.036 1.00 0.00 SBOX O ATOM 2399 P GUA A 82 43.306 35.578 29.780 1.00 0.00 SBOX P ATOM 2400 O1P GUA A 82 43.393 36.620 28.736 1.00 0.00 SBOX ATOM 2401 O2P GUA A 82 42.290 35.703 30.907 1.00 0.00 SBOX ATOM 2402 O5' GUA A 82 44.847 35.130 30.370 1.00 0.00 SBOX O ATOM 2403 C5' GUA A 82 44.975 34.376 31.531 1.00 0.00 SBOX C ATOM 2404 H5' GUA A 82 44.331 33.497 31.531 1.00 0.00 SBOX ATOM 2405 H5'' GUA A 82 44.859 35.007 32.412 1.00 0.00 SBOX ATOM 2406 C4' GUA A 82 46.438 33.858 31.646 1.00 0.00 SBOX C ATOM 2407 H4' GUA A 82 46.530 33.233 32.534 1.00 0.00 SBOX ATOM 2408 O4' GUA A 82 46.793 33.118 30.516 1.00 0.00 SBOX O ATOM 2409 C1' GUA A 82 48.199 33.155 30.368 1.00 0.00 SBOX C ATOM 2410 H1' GUA A 82 48.646 32.176 30.539 1.00 0.00 SBOX ATOM 2411 N9 GUA A 82 48.584 33.731 29.044 1.00 0.00 SBOX N ATOM 2412 C8 GUA A 82 47.896 34.371 28.117 1.00 0.00 SBOX C ATOM 2413 H8 GUA A 82 46.977 34.840 28.436 1.00 0.00 SBOX ATOM 2414 N7 GUA A 82 48.457 34.460 26.938 1.00 0.00 SBOX N ATOM 2415 C5 GUA A 82 49.740 33.935 27.145 1.00 0.00 SBOX C ATOM 2416 C6 GUA A 82 50.829 33.728 26.277 1.00 0.00 SBOX C ATOM 2417 O6 GUA A 82 50.937 33.933 25.073 1.00 0.00 SBOX O ATOM 2418 N1 GUA A 82 51.922 33.118 26.887 1.00 0.00 SBOX N ATOM 2419 H1 GUA A 82 52.725 32.927 26.306 1.00 0.00 SBOX ATOM 2420 C2 GUA A 82 51.850 32.556 28.101 1.00 0.00 SBOX C ATOM 2421 N2 GUA A 82 52.838 31.840 28.530 1.00 0.00 SBOX N ATOM 2422 H21 GUA A 82 53.700 31.729 28.016 1.00 0.00 SBOX ATOM 2423 H22 GUA A 82 52.666 31.328 29.384 1.00 0.00 SBOX ATOM 2424 N3 GUA A 82 50.802 32.711 28.897 1.00 0.00 SBOX N ATOM 2425 C4 GUA A 82 49.791 33.487 28.385 1.00 0.00 SBOX C ATOM 2426 C3' GUA A 82 47.495 34.927 31.853 1.00 0.00 SBOX C ATOM 2427 H3' GUA A 82 47.347 35.697 31.096 1.00 0.00 SBOX ATOM 2428 C2' GUA A 82 48.644 34.124 31.448 1.00 0.00 SBOX C ATOM 2429 H2'' GUA A 82 49.463 34.719 31.044 1.00 0.00 SBOX ATOM 2430 O2' GUA A 82 49.199 33.364 32.585 1.00 0.00 SBOX O ATOM 2431 H2' GUA A 82 49.636 34.063 33.077 1.00 0.00 SBOX ATOM 2432 O3' GUA A 82 47.479 35.382 33.251 1.00 0.00 SBOX O ATOM 2433 P ADE A 83 48.608 36.464 33.726 1.00 0.00 SBOX P ATOM 2434 O1P ADE A 83 48.503 37.519 32.735 1.00 0.00 SBOX ATOM 2435 O2P ADE A 83 48.365 36.764 35.197 1.00 0.00 SBOX ATOM 2436 O5' ADE A 83 50.027 35.678 33.560 1.00 0.00 SBOX O ATOM 2437 C5' ADE A 83 51.277 36.316 33.388 1.00 0.00 SBOX C ATOM 2438 H5' ADE A 83 51.650 36.798 34.292 1.00 0.00 SBOX ATOM 2439 H5'' ADE A 83 51.134 37.155 32.706 1.00 0.00 SBOX ATOM 2440 C4' ADE A 83 52.309 35.356 32.827 1.00 0.00 SBOX C ATOM 2441 H4' ADE A 83 52.494 34.590 33.580 1.00 0.00 SBOX ATOM 2442 O4' ADE A 83 51.860 34.754 31.615 1.00 0.00 SBOX O ATOM 2443 C1' ADE A 83 52.943 34.625 30.711 1.00 0.00 SBOX C ATOM 2444 H1' ADE A 83 53.149 33.572 30.519 1.00 0.00 SBOX ATOM 2445 N9 ADE A 83 52.665 35.343 29.371 1.00 0.00 SBOX N ATOM 2446 C8 ADE A 83 51.603 36.078 28.973 1.00 0.00 SBOX C ATOM 2447 H8 ADE A 83 50.784 36.348 29.623 1.00 0.00 SBOX ATOM 2448 N7 ADE A 83 51.824 36.591 27.818 1.00 0.00 SBOX N ATOM 2449 C5 ADE A 83 53.063 36.102 27.335 1.00 0.00 SBOX C ATOM 2450 C6 ADE A 83 53.950 36.254 26.299 1.00 0.00 SBOX C ATOM 2451 N6 ADE A 83 53.857 37.015 25.238 1.00 0.00 SBOX N ATOM 2452 H61 ADE A 83 54.521 36.862 24.493 1.00 0.00 SBOX ATOM 2453 H62 ADE A 83 53.001 37.532 25.097 1.00 0.00 SBOX ATOM 2454 N1 ADE A 83 55.134 35.632 26.284 1.00 0.00 SBOX N ATOM 2455 C2 ADE A 83 55.436 34.912 27.326 1.00 0.00 SBOX C ATOM 2456 H2 ADE A 83 56.427 34.483 27.343 1.00 0.00 SBOX ATOM 2457 N3 ADE A 83 54.752 34.716 28.475 1.00 0.00 SBOX N ATOM 2458 C4 ADE A 83 53.545 35.320 28.324 1.00 0.00 SBOX C ATOM 2459 C3' ADE A 83 53.598 35.990 32.484 1.00 0.00 SBOX C ATOM 2460 H3' ADE A 83 53.390 36.934 31.980 1.00 0.00 SBOX ATOM 2461 C2' ADE A 83 54.216 35.041 31.440 1.00 0.00 SBOX C ATOM 2462 H2'' ADE A 83 54.815 35.639 30.753 1.00 0.00 SBOX ATOM 2463 O2' ADE A 83 54.904 33.836 31.872 1.00 0.00 SBOX O ATOM 2464 H2' ADE A 83 55.415 33.509 31.128 1.00 0.00 SBOX ATOM 2465 O3' ADE A 83 54.367 36.201 33.657 1.00 0.00 SBOX O ATOM 2466 P ADE A 84 55.431 37.412 33.815 1.00 0.00 SBOX P ATOM 2467 O1P ADE A 84 54.742 38.646 33.375 1.00 0.00 SBOX ATOM 2468 O2P ADE A 84 55.966 37.284 35.173 1.00 0.00 SBOX ATOM 2469 O5' ADE A 84 56.519 37.238 32.726 1.00 0.00 SBOX O ATOM 2470 C5' ADE A 84 57.633 36.385 32.755 1.00 0.00 SBOX C ATOM 2471 H5' ADE A 84 57.200 35.388 32.831 1.00 0.00 SBOX ATOM 2472 H5'' ADE A 84 58.222 36.608 33.645 1.00 0.00 SBOX ATOM 2473 C4' ADE A 84 58.407 36.532 31.440 1.00 0.00 SBOX C ATOM 2474 H4' ADE A 84 59.279 35.886 31.332 1.00 0.00 SBOX ATOM 2475 O4' ADE A 84 57.510 36.200 30.385 1.00 0.00 SBOX O ATOM 2476 C1' ADE A 84 57.796 37.002 29.291 1.00 0.00 SBOX C ATOM 2477 H1' ADE A 84 58.022 36.357 28.442 1.00 0.00 SBOX ATOM 2478 N9 ADE A 84 56.608 37.804 28.974 1.00 0.00 SBOX N ATOM 2479 C8 ADE A 84 55.519 38.125 29.746 1.00 0.00 SBOX C ATOM 2480 H8 ADE A 84 55.430 37.829 30.781 1.00 0.00 SBOX ATOM 2481 N7 ADE A 84 54.606 38.846 29.135 1.00 0.00 SBOX N ATOM 2482 C5 ADE A 84 55.258 39.196 27.880 1.00 0.00 SBOX C ATOM 2483 C6 ADE A 84 54.995 40.089 26.800 1.00 0.00 SBOX C ATOM 2484 N6 ADE A 84 53.861 40.664 26.544 1.00 0.00 SBOX N ATOM 2485 H61 ADE A 84 53.709 41.124 25.658 1.00 0.00 SBOX ATOM 2486 H62 ADE A 84 53.101 40.285 27.091 1.00 0.00 SBOX ATOM 2487 N1 ADE A 84 55.861 40.219 25.821 1.00 0.00 SBOX N ATOM 2488 C2 ADE A 84 56.991 39.480 25.835 1.00 0.00 SBOX C ATOM 2489 H2 ADE A 84 57.666 39.664 25.012 1.00 0.00 SBOX ATOM 2490 N3 ADE A 84 57.398 38.647 26.829 1.00 0.00 SBOX N ATOM 2491 C4 ADE A 84 56.470 38.575 27.821 1.00 0.00 SBOX C ATOM 2492 C3' ADE A 84 58.875 37.953 31.158 1.00 0.00 SBOX C ATOM 2493 H3' ADE A 84 58.118 38.671 31.473 1.00 0.00 SBOX ATOM 2494 C2' ADE A 84 58.968 37.940 29.602 1.00 0.00 SBOX C ATOM 2495 H2'' ADE A 84 58.808 38.963 29.261 1.00 0.00 SBOX ATOM 2496 O2' ADE A 84 60.117 37.248 29.128 1.00 0.00 SBOX O ATOM 2497 H2' ADE A 84 60.062 37.055 28.189 1.00 0.00 SBOX ATOM 2498 O3' ADE A 84 60.077 38.274 31.732 1.00 0.00 SBOX O ATOM 2499 P ADE A 85 60.428 39.789 32.056 1.00 0.00 SBOX P ATOM 2500 O1P ADE A 85 59.238 40.330 32.689 1.00 0.00 SBOX ATOM 2501 O2P ADE A 85 61.717 39.868 32.702 1.00 0.00 SBOX ATOM 2502 O5' ADE A 85 60.628 40.527 30.662 1.00 0.00 SBOX O ATOM 2503 C5' ADE A 85 61.727 40.369 29.769 1.00 0.00 SBOX C ATOM 2504 H5' ADE A 85 62.029 39.323 29.729 1.00 0.00 SBOX ATOM 2505 H5'' ADE A 85 62.484 41.067 30.129 1.00 0.00 SBOX ATOM 2506 C4' ADE A 85 61.354 40.961 28.380 1.00 0.00 SBOX C ATOM 2507 H4' ADE A 85 62.142 40.685 27.679 1.00 0.00 SBOX ATOM 2508 O4' ADE A 85 60.082 40.437 27.940 1.00 0.00 SBOX O ATOM 2509 C1' ADE A 85 59.436 41.513 27.325 1.00 0.00 SBOX C ATOM 2510 H1' ADE A 85 59.154 41.339 26.286 1.00 0.00 SBOX ATOM 2511 N9 ADE A 85 58.150 41.756 28.082 1.00 0.00 SBOX N ATOM 2512 C8 ADE A 85 57.727 41.305 29.318 1.00 0.00 SBOX C ATOM 2513 H8 ADE A 85 58.232 40.574 29.933 1.00 0.00 SBOX ATOM 2514 N7 ADE A 85 56.508 41.640 29.692 1.00 0.00 SBOX N ATOM 2515 C5 ADE A 85 56.091 42.460 28.618 1.00 0.00 SBOX C ATOM 2516 C6 ADE A 85 54.904 43.233 28.295 1.00 0.00 SBOX C ATOM 2517 N6 ADE A 85 53.754 43.202 28.923 1.00 0.00 SBOX N ATOM 2518 H61 ADE A 85 53.005 43.618 28.388 1.00 0.00 SBOX ATOM 2519 H62 ADE A 85 53.532 42.479 29.591 1.00 0.00 SBOX ATOM 2520 N1 ADE A 85 54.756 43.861 27.136 1.00 0.00 SBOX N ATOM 2521 C2 ADE A 85 55.831 43.801 26.280 1.00 0.00 SBOX C ATOM 2522 H2 ADE A 85 55.706 44.227 25.296 1.00 0.00 SBOX ATOM 2523 N3 ADE A 85 56.997 43.193 26.415 1.00 0.00 SBOX N ATOM 2524 C4 ADE A 85 57.079 42.562 27.642 1.00 0.00 SBOX C ATOM 2525 C3' ADE A 85 61.102 42.487 28.592 1.00 0.00 SBOX C ATOM 2526 H3' ADE A 85 60.424 42.606 29.437 1.00 0.00 SBOX ATOM 2527 C2' ADE A 85 60.318 42.700 27.307 1.00 0.00 SBOX C ATOM 2528 H2'' ADE A 85 59.685 43.576 27.444 1.00 0.00 SBOX ATOM 2529 O2' ADE A 85 61.105 42.863 26.072 1.00 0.00 SBOX O ATOM 2530 H2' ADE A 85 60.860 43.631 25.552 1.00 0.00 SBOX ATOM 2531 O3' ADE A 85 62.270 43.249 28.968 1.00 0.00 SBOX O ATOM 2532 P GUA A 86 62.149 44.563 29.845 1.00 0.00 SBOX P ATOM 2533 O1P GUA A 86 61.622 44.247 31.207 1.00 0.00 SBOX ATOM 2534 O2P GUA A 86 63.481 45.226 29.838 1.00 0.00 SBOX ATOM 2535 O5' GUA A 86 61.141 45.470 29.007 1.00 0.00 SBOX O ATOM 2536 C5' GUA A 86 61.575 46.066 27.838 1.00 0.00 SBOX C ATOM 2537 H5' GUA A 86 62.046 45.355 27.158 1.00 0.00 SBOX ATOM 2538 H5'' GUA A 86 62.219 46.897 28.125 1.00 0.00 SBOX ATOM 2539 C4' GUA A 86 60.439 46.645 27.028 1.00 0.00 SBOX C ATOM 2540 H4' GUA A 86 60.925 46.855 26.076 1.00 0.00 SBOX ATOM 2541 O4' GUA A 86 59.260 45.867 26.799 1.00 0.00 SBOX O ATOM 2542 C1' GUA A 86 58.096 46.748 26.645 1.00 0.00 SBOX C ATOM 2543 H1' GUA A 86 57.392 46.448 25.868 1.00 0.00 SBOX ATOM 2544 N9 GUA A 86 57.421 46.503 27.972 1.00 0.00 SBOX N ATOM 2545 C8 GUA A 86 57.834 45.740 29.002 1.00 0.00 SBOX C ATOM 2546 H8 GUA A 86 58.773 45.220 29.119 1.00 0.00 SBOX ATOM 2547 N7 GUA A 86 56.816 45.500 29.880 1.00 0.00 SBOX N ATOM 2548 C5 GUA A 86 55.808 46.329 29.386 1.00 0.00 SBOX C ATOM 2549 C6 GUA A 86 54.483 46.617 29.954 1.00 0.00 SBOX C ATOM 2550 O6 GUA A 86 53.929 46.149 30.946 1.00 0.00 SBOX O ATOM 2551 N1 GUA A 86 53.713 47.364 29.082 1.00 0.00 SBOX N ATOM 2552 H1 GUA A 86 52.774 47.648 29.324 1.00 0.00 SBOX ATOM 2553 C2 GUA A 86 54.105 47.881 27.970 1.00 0.00 SBOX C ATOM 2554 N2 GUA A 86 53.229 48.582 27.350 1.00 0.00 SBOX N ATOM 2555 H21 GUA A 86 52.390 48.897 27.817 1.00 0.00 SBOX ATOM 2556 H22 GUA A 86 53.363 48.855 26.387 1.00 0.00 SBOX ATOM 2557 N3 GUA A 86 55.315 47.702 27.433 1.00 0.00 SBOX N ATOM 2558 C4 GUA A 86 56.140 46.940 28.189 1.00 0.00 SBOX C ATOM 2559 C3' GUA A 86 59.869 47.993 27.543 1.00 0.00 SBOX C ATOM 2560 H3' GUA A 86 59.548 47.837 28.572 1.00 0.00 SBOX ATOM 2561 C2' GUA A 86 58.599 48.168 26.629 1.00 0.00 SBOX C ATOM 2562 H2'' GUA A 86 57.901 48.911 27.014 1.00 0.00 SBOX ATOM 2563 O2' GUA A 86 58.889 48.480 25.248 1.00 0.00 SBOX O ATOM 2564 H2' GUA A 86 58.073 48.526 24.746 1.00 0.00 SBOX ATOM 2565 O3' GUA A 86 60.802 49.056 27.480 1.00 0.00 SBOX O ATOM 2566 P ADE A 87 60.664 50.317 28.501 1.00 0.00 SBOX P ATOM 2567 O1P ADE A 87 60.607 49.855 29.881 1.00 0.00 SBOX ATOM 2568 O2P ADE A 87 61.624 51.358 28.118 1.00 0.00 SBOX ATOM 2569 O5' ADE A 87 59.280 50.887 28.164 1.00 0.00 SBOX O ATOM 2570 C5' ADE A 87 59.101 51.647 27.010 1.00 0.00 SBOX C ATOM 2571 H5' ADE A 87 59.127 51.038 26.105 1.00 0.00 SBOX ATOM 2572 H5'' ADE A 87 59.765 52.504 27.114 1.00 0.00 SBOX ATOM 2573 C4' ADE A 87 57.745 52.293 27.145 1.00 0.00 SBOX C ATOM 2574 H4' ADE A 87 57.634 53.028 26.347 1.00 0.00 SBOX ATOM 2575 O4' ADE A 87 56.650 51.337 27.310 1.00 0.00 SBOX O ATOM 2576 C1' ADE A 87 55.724 51.814 28.192 1.00 0.00 SBOX C ATOM 2577 H1' ADE A 87 54.730 51.896 27.754 1.00 0.00 SBOX ATOM 2578 N9 ADE A 87 55.574 50.980 29.380 1.00 0.00 SBOX N ATOM 2579 C8 ADE A 87 56.555 50.318 30.081 1.00 0.00 SBOX C ATOM 2580 H8 ADE A 87 57.559 50.336 29.681 1.00 0.00 SBOX ATOM 2581 N7 ADE A 87 56.066 49.474 30.960 1.00 0.00 SBOX N ATOM 2582 C5 ADE A 87 54.700 49.812 30.925 1.00 0.00 SBOX C ATOM 2583 C6 ADE A 87 53.509 49.402 31.630 1.00 0.00 SBOX C ATOM 2584 N6 ADE A 87 53.473 48.659 32.620 1.00 0.00 SBOX N ATOM 2585 H61 ADE A 87 52.595 48.622 33.117 1.00 0.00 SBOX ATOM 2586 H62 ADE A 87 54.088 47.878 32.800 1.00 0.00 SBOX ATOM 2587 N1 ADE A 87 52.340 49.993 31.411 1.00 0.00 SBOX N ATOM 2588 C2 ADE A 87 52.275 50.948 30.478 1.00 0.00 SBOX C ATOM 2589 H2 ADE A 87 51.271 51.329 30.364 1.00 0.00 SBOX ATOM 2590 N3 ADE A 87 53.249 51.421 29.765 1.00 0.00 SBOX N ATOM 2591 C4 ADE A 87 54.440 50.835 30.071 1.00 0.00 SBOX C ATOM 2592 C3' ADE A 87 57.632 53.092 28.479 1.00 0.00 SBOX C ATOM 2593 H3' ADE A 87 58.039 52.465 29.272 1.00 0.00 SBOX ATOM 2594 C2' ADE A 87 56.127 53.185 28.640 1.00 0.00 SBOX C ATOM 2595 H2'' ADE A 87 55.945 53.360 29.701 1.00 0.00 SBOX ATOM 2596 O2' ADE A 87 55.543 54.156 27.775 1.00 0.00 SBOX O ATOM 2597 H2' ADE A 87 54.900 54.715 28.219 1.00 0.00 SBOX ATOM 2598 O3' ADE A 87 58.378 54.344 28.414 1.00 0.00 SBOX O ATOM 2599 P URA A 88 58.669 55.183 29.745 1.00 0.00 SBOX P ATOM 2600 O1P URA A 88 59.313 54.356 30.787 1.00 0.00 SBOX ATOM 2601 O2P URA A 88 59.391 56.356 29.324 1.00 0.00 SBOX ATOM 2602 O5' URA A 88 57.225 55.616 30.273 1.00 0.00 SBOX O ATOM 2603 C5' URA A 88 56.493 56.655 29.608 1.00 0.00 SBOX C ATOM 2604 H5' URA A 88 56.377 56.519 28.532 1.00 0.00 SBOX ATOM 2605 H5'' URA A 88 56.901 57.664 29.658 1.00 0.00 SBOX ATOM 2606 C4' URA A 88 55.094 56.728 30.290 1.00 0.00 SBOX C ATOM 2607 H4' URA A 88 54.491 57.515 29.839 1.00 0.00 SBOX ATOM 2608 O4' URA A 88 54.437 55.440 30.195 1.00 0.00 SBOX O ATOM 2609 C1' URA A 88 53.698 55.107 31.355 1.00 0.00 SBOX C ATOM 2610 H1' URA A 88 52.664 54.869 31.107 1.00 0.00 SBOX ATOM 2611 N1 URA A 88 54.201 53.875 32.069 1.00 0.00 SBOX N ATOM 2612 C6 URA A 88 55.549 53.566 32.207 1.00 0.00 SBOX C ATOM 2613 H6 URA A 88 56.268 54.221 31.737 1.00 0.00 SBOX ATOM 2614 C5 URA A 88 56.048 52.529 32.922 1.00 0.00 SBOX C ATOM 2615 H5 URA A 88 57.106 52.333 33.020 1.00 0.00 SBOX ATOM 2616 C4 URA A 88 55.164 51.556 33.532 1.00 0.00 SBOX C ATOM 2617 O4 URA A 88 55.490 50.485 34.027 1.00 0.00 SBOX O ATOM 2618 N3 URA A 88 53.840 51.967 33.444 1.00 0.00 SBOX N ATOM 2619 H3 URA A 88 53.184 51.414 33.976 1.00 0.00 SBOX ATOM 2620 C2 URA A 88 53.355 53.044 32.776 1.00 0.00 SBOX C ATOM 2621 O2 URA A 88 52.176 53.312 33.029 1.00 0.00 SBOX O ATOM 2622 C3' URA A 88 55.252 56.981 31.812 1.00 0.00 SBOX C ATOM 2623 H3' URA A 88 55.907 56.253 32.290 1.00 0.00 SBOX ATOM 2624 C2' URA A 88 53.876 56.371 32.185 1.00 0.00 SBOX C ATOM 2625 H2'' URA A 88 53.863 56.121 33.247 1.00 0.00 SBOX ATOM 2626 O2' URA A 88 52.772 57.172 31.916 1.00 0.00 SBOX O ATOM 2627 H2' URA A 88 52.969 58.081 32.155 1.00 0.00 SBOX ATOM 2628 O3' URA A 88 55.557 58.344 32.316 1.00 0.00 SBOX O ATOM 2629 P GUA A 89 56.098 58.549 33.770 1.00 0.00 SBOX P ATOM 2630 O1P GUA A 89 57.024 57.424 33.917 1.00 0.00 SBOX ATOM 2631 O2P GUA A 89 56.646 59.948 33.890 1.00 0.00 SBOX ATOM 2632 O5' GUA A 89 54.809 58.288 34.594 1.00 0.00 SBOX O ATOM 2633 C5' GUA A 89 53.778 59.240 34.521 1.00 0.00 SBOX C ATOM 2634 H5' GUA A 89 53.416 59.565 33.545 1.00 0.00 SBOX ATOM 2635 H5'' GUA A 89 54.120 60.133 35.044 1.00 0.00 SBOX ATOM 2636 C4' GUA A 89 52.711 58.621 35.365 1.00 0.00 SBOX C ATOM 2637 H4' GUA A 89 51.795 59.182 35.182 1.00 0.00 SBOX ATOM 2638 O4' GUA A 89 52.300 57.320 35.098 1.00 0.00 SBOX O ATOM 2639 C1' GUA A 89 52.184 56.545 36.268 1.00 0.00 SBOX C ATOM 2640 H1' GUA A 89 51.206 56.063 36.292 1.00 0.00 SBOX ATOM 2641 N9 GUA A 89 53.173 55.449 36.440 1.00 0.00 SBOX N ATOM 2642 C8 GUA A 89 54.432 55.379 35.974 1.00 0.00 SBOX C ATOM 2643 H8 GUA A 89 54.802 56.036 35.202 1.00 0.00 SBOX ATOM 2644 N7 GUA A 89 55.017 54.224 36.207 1.00 0.00 SBOX N ATOM 2645 C5 GUA A 89 54.116 53.599 37.124 1.00 0.00 SBOX C ATOM 2646 C6 GUA A 89 54.060 52.308 37.841 1.00 0.00 SBOX C ATOM 2647 O6 GUA A 89 54.761 51.277 37.736 1.00 0.00 SBOX O ATOM 2648 N1 GUA A 89 53.014 52.210 38.689 1.00 0.00 SBOX N ATOM 2649 H1 GUA A 89 53.020 51.369 39.249 1.00 0.00 SBOX ATOM 2650 C2 GUA A 89 52.033 53.099 38.889 1.00 0.00 SBOX C ATOM 2651 N2 GUA A 89 51.057 52.601 39.588 1.00 0.00 SBOX N ATOM 2652 H21 GUA A 89 51.088 51.655 39.940 1.00 0.00 SBOX ATOM 2653 H22 GUA A 89 50.244 53.186 39.715 1.00 0.00 SBOX ATOM 2654 N3 GUA A 89 51.935 54.211 38.174 1.00 0.00 SBOX N ATOM 2655 C4 GUA A 89 53.029 54.416 37.313 1.00 0.00 SBOX C ATOM 2656 C3' GUA A 89 53.140 58.669 36.818 1.00 0.00 SBOX C ATOM 2657 H3' GUA A 89 54.143 58.276 36.984 1.00 0.00 SBOX ATOM 2658 C2' GUA A 89 52.209 57.576 37.456 1.00 0.00 SBOX C ATOM 2659 H2'' GUA A 89 52.483 57.073 38.384 1.00 0.00 SBOX ATOM 2660 O2' GUA A 89 50.923 58.193 37.566 1.00 0.00 SBOX O ATOM 2661 H2' GUA A 89 51.042 59.128 37.748 1.00 0.00 SBOX ATOM 2662 O3' GUA A 89 52.860 60.003 37.352 1.00 0.00 SBOX O ATOM 2663 P ADE A 90 53.723 60.586 38.544 1.00 0.00 SBOX P ATOM 2664 O1P ADE A 90 55.143 60.668 38.142 1.00 0.00 SBOX ATOM 2665 O2P ADE A 90 53.121 61.787 39.104 1.00 0.00 SBOX ATOM 2666 O5' ADE A 90 53.611 59.407 39.623 1.00 0.00 SBOX O ATOM 2667 C5' ADE A 90 52.498 59.283 40.441 1.00 0.00 SBOX C ATOM 2668 H5' ADE A 90 51.693 59.170 39.715 1.00 0.00 SBOX ATOM 2669 H5'' ADE A 90 52.352 60.135 41.105 1.00 0.00 SBOX ATOM 2670 C4' ADE A 90 52.603 58.123 41.345 1.00 0.00 SBOX C ATOM 2671 H4' ADE A 90 51.786 58.302 42.043 1.00 0.00 SBOX ATOM 2672 O4' ADE A 90 52.495 56.938 40.671 1.00 0.00 SBOX O ATOM 2673 C1' ADE A 90 53.388 55.986 41.210 1.00 0.00 SBOX C ATOM 2674 H1' ADE A 90 52.929 55.078 41.601 1.00 0.00 SBOX ATOM 2675 N9 ADE A 90 54.527 55.624 40.338 1.00 0.00 SBOX N ATOM 2676 C8 ADE A 90 55.089 56.329 39.334 1.00 0.00 SBOX C ATOM 2677 H8 ADE A 90 54.775 57.333 39.089 1.00 0.00 SBOX ATOM 2678 N7 ADE A 90 56.125 55.773 38.809 1.00 0.00 SBOX N ATOM 2679 C5 ADE A 90 56.193 54.550 39.574 1.00 0.00 SBOX C ATOM 2680 C6 ADE A 90 56.963 53.379 39.596 1.00 0.00 SBOX C ATOM 2681 N6 ADE A 90 58.023 53.215 38.825 1.00 0.00 SBOX N ATOM 2682 H61 ADE A 90 58.522 52.368 39.054 1.00 0.00 SBOX ATOM 2683 H62 ADE A 90 58.265 53.969 38.198 1.00 0.00 SBOX ATOM 2684 N1 ADE A 90 56.779 52.301 40.367 1.00 0.00 SBOX N ATOM 2685 C2 ADE A 90 55.656 52.369 41.134 1.00 0.00 SBOX C ATOM 2686 H2 ADE A 90 55.329 51.427 41.549 1.00 0.00 SBOX ATOM 2687 N3 ADE A 90 54.800 53.377 41.174 1.00 0.00 SBOX N ATOM 2688 C4 ADE A 90 55.159 54.418 40.407 1.00 0.00 SBOX C ATOM 2689 C3' ADE A 90 53.873 58.131 42.243 1.00 0.00 SBOX C ATOM 2690 H3' ADE A 90 54.735 58.380 41.623 1.00 0.00 SBOX ATOM 2691 C2' ADE A 90 53.796 56.645 42.606 1.00 0.00 SBOX C ATOM 2692 H2'' ADE A 90 54.746 56.429 43.094 1.00 0.00 SBOX ATOM 2693 O2' ADE A 90 52.735 56.322 43.563 1.00 0.00 SBOX O ATOM 2694 H2' ADE A 90 53.145 55.640 44.100 1.00 0.00 SBOX ATOM 2695 O3' ADE A 90 53.836 59.124 43.328 1.00 0.00 SBOX O ATOM 2696 P GUA A 91 55.192 59.477 44.072 1.00 0.00 SBOX P ATOM 2697 O1P GUA A 91 56.267 59.589 43.069 1.00 0.00 SBOX ATOM 2698 O2P GUA A 91 54.892 60.642 44.903 1.00 0.00 SBOX ATOM 2699 O5' GUA A 91 55.602 58.210 44.959 1.00 0.00 SBOX O ATOM 2700 C5' GUA A 91 54.795 57.720 46.053 1.00 0.00 SBOX C ATOM 2701 H5' GUA A 91 53.783 57.703 45.649 1.00 0.00 SBOX ATOM 2702 H5'' GUA A 91 54.908 58.422 46.880 1.00 0.00 SBOX ATOM 2703 C4' GUA A 91 55.234 56.304 46.445 1.00 0.00 SBOX C ATOM 2704 H4' GUA A 91 54.462 55.929 47.117 1.00 0.00 SBOX ATOM 2705 O4' GUA A 91 55.263 55.454 45.187 1.00 0.00 SBOX O ATOM 2706 C1' GUA A 91 56.298 54.461 45.445 1.00 0.00 SBOX C ATOM 2707 H1' GUA A 91 55.834 53.476 45.493 1.00 0.00 SBOX ATOM 2708 N9 GUA A 91 57.219 54.529 44.284 1.00 0.00 SBOX N ATOM 2709 C8 GUA A 91 57.369 55.520 43.311 1.00 0.00 SBOX C ATOM 2710 H8 GUA A 91 56.894 56.476 43.476 1.00 0.00 SBOX ATOM 2711 N7 GUA A 91 58.179 55.144 42.414 1.00 0.00 SBOX N ATOM 2712 C5 GUA A 91 58.616 53.868 42.722 1.00 0.00 SBOX C ATOM 2713 C6 GUA A 91 59.377 52.915 42.021 1.00 0.00 SBOX C ATOM 2714 O6 GUA A 91 59.995 53.076 41.003 1.00 0.00 SBOX O ATOM 2715 N1 GUA A 91 59.458 51.635 42.565 1.00 0.00 SBOX N ATOM 2716 H1 GUA A 91 59.945 50.879 42.104 1.00 0.00 SBOX ATOM 2717 C2 GUA A 91 58.924 51.319 43.711 1.00 0.00 SBOX C ATOM 2718 N2 GUA A 91 58.956 50.092 44.047 1.00 0.00 SBOX N ATOM 2719 H21 GUA A 91 59.587 49.453 43.586 1.00 0.00 SBOX ATOM 2720 H22 GUA A 91 58.684 49.870 44.994 1.00 0.00 SBOX ATOM 2721 N3 GUA A 91 58.089 52.186 44.418 1.00 0.00 SBOX N ATOM 2722 C4 GUA A 91 57.977 53.439 43.861 1.00 0.00 SBOX C ATOM 2723 C3' GUA A 91 56.655 56.275 47.000 1.00 0.00 SBOX C ATOM 2724 H3' GUA A 91 57.342 56.876 46.405 1.00 0.00 SBOX ATOM 2725 C2' GUA A 91 56.969 54.801 46.757 1.00 0.00 SBOX C ATOM 2726 H2'' GUA A 91 58.031 54.574 46.668 1.00 0.00 SBOX ATOM 2727 O2' GUA A 91 56.383 53.945 47.649 1.00 0.00 SBOX O ATOM 2728 H2' GUA A 91 56.699 54.236 48.507 1.00 0.00 SBOX ATOM 2729 O3' GUA A 91 56.770 56.633 48.383 1.00 0.00 SBOX O ATOM 2730 P CYT A 92 58.205 56.999 49.005 1.00 0.00 SBOX P ATOM 2731 O1P CYT A 92 58.929 57.925 48.083 1.00 0.00 SBOX ATOM 2732 O2P CYT A 92 58.007 57.392 50.381 1.00 0.00 SBOX ATOM 2733 O5' CYT A 92 58.923 55.566 48.923 1.00 0.00 SBOX O ATOM 2734 C5' CYT A 92 60.342 55.437 49.042 1.00 0.00 SBOX C ATOM 2735 H5' CYT A 92 60.557 55.698 50.078 1.00 0.00 SBOX ATOM 2736 H5'' CYT A 92 60.840 56.091 48.325 1.00 0.00 SBOX ATOM 2737 C4' CYT A 92 60.700 54.015 48.908 1.00 0.00 SBOX C ATOM 2738 H4' CYT A 92 60.168 53.530 49.727 1.00 0.00 SBOX ATOM 2739 O4' CYT A 92 60.082 53.360 47.753 1.00 0.00 SBOX O ATOM 2740 C1' CYT A 92 61.083 52.609 47.063 1.00 0.00 SBOX C ATOM 2741 H1' CYT A 92 60.704 51.605 46.872 1.00 0.00 SBOX ATOM 2742 N1 CYT A 92 61.233 53.271 45.720 1.00 0.00 SBOX N ATOM 2743 C6 CYT A 92 60.759 54.504 45.466 1.00 0.00 SBOX C ATOM 2744 H6 CYT A 92 60.210 55.050 46.219 1.00 0.00 SBOX ATOM 2745 C5 CYT A 92 61.076 55.057 44.305 1.00 0.00 SBOX C ATOM 2746 H5 CYT A 92 60.783 56.089 44.183 1.00 0.00 SBOX ATOM 2747 C4 CYT A 92 61.691 54.340 43.311 1.00 0.00 SBOX C ATOM 2748 N4 CYT A 92 62.182 54.924 42.298 1.00 0.00 SBOX N ATOM 2749 H41 CYT A 92 62.722 54.302 41.714 1.00 0.00 SBOX ATOM 2750 H42 CYT A 92 61.739 55.743 41.907 1.00 0.00 SBOX ATOM 2751 N3 CYT A 92 62.078 53.069 43.549 1.00 0.00 SBOX N ATOM 2752 C2 CYT A 92 61.826 52.501 44.758 1.00 0.00 SBOX C ATOM 2753 O2 CYT A 92 62.153 51.326 44.931 1.00 0.00 SBOX O ATOM 2754 C3' CYT A 92 62.244 53.778 48.825 1.00 0.00 SBOX C ATOM 2755 H3' CYT A 92 62.529 54.684 48.290 1.00 0.00 SBOX ATOM 2756 C2' CYT A 92 62.341 52.537 47.911 1.00 0.00 SBOX C ATOM 2757 H2'' CYT A 92 63.218 52.593 47.267 1.00 0.00 SBOX ATOM 2758 O2' CYT A 92 62.444 51.289 48.555 1.00 0.00 SBOX O ATOM 2759 H2' CYT A 92 62.238 50.558 47.968 1.00 0.00 SBOX ATOM 2760 O3' CYT A 92 62.798 53.642 50.082 1.00 0.00 SBOX O ATOM 2761 P CYT A 93 64.169 54.350 50.522 1.00 0.00 SBOX P ATOM 2762 O1P CYT A 93 64.324 55.720 49.897 1.00 0.00 SBOX ATOM 2763 O2P CYT A 93 64.270 54.141 51.941 1.00 0.00 SBOX ATOM 2764 O5' CYT A 93 65.228 53.435 49.841 1.00 0.00 SBOX O ATOM 2765 C5' CYT A 93 65.255 52.055 50.150 1.00 0.00 SBOX C ATOM 2766 H5' CYT A 93 64.255 51.676 50.361 1.00 0.00 SBOX ATOM 2767 H5'' CYT A 93 65.635 51.703 51.109 1.00 0.00 SBOX ATOM 2768 C4' CYT A 93 65.883 51.338 48.886 1.00 0.00 SBOX C ATOM 2769 H4' CYT A 93 66.039 50.320 49.242 1.00 0.00 SBOX ATOM 2770 O4' CYT A 93 65.305 51.422 47.597 1.00 0.00 SBOX O ATOM 2771 C1' CYT A 93 66.284 51.445 46.530 1.00 0.00 SBOX C ATOM 2772 H1' CYT A 93 66.085 50.527 45.977 1.00 0.00 SBOX ATOM 2773 N1 CYT A 93 66.136 52.663 45.664 1.00 0.00 SBOX N ATOM 2774 C6 CYT A 93 65.479 53.745 46.096 1.00 0.00 SBOX C ATOM 2775 H6 CYT A 93 65.148 53.845 47.119 1.00 0.00 SBOX ATOM 2776 C5 CYT A 93 65.265 54.736 45.156 1.00 0.00 SBOX C ATOM 2777 H5 CYT A 93 64.748 55.596 45.554 1.00 0.00 SBOX ATOM 2778 C4 CYT A 93 65.732 54.531 43.824 1.00 0.00 SBOX C ATOM 2779 N4 CYT A 93 65.298 55.264 42.833 1.00 0.00 SBOX N ATOM 2780 H41 CYT A 93 65.637 54.866 41.968 1.00 0.00 SBOX ATOM 2781 H42 CYT A 93 64.478 55.825 43.013 1.00 0.00 SBOX ATOM 2782 N3 CYT A 93 66.282 53.432 43.443 1.00 0.00 SBOX N ATOM 2783 C2 CYT A 93 66.493 52.459 44.367 1.00 0.00 SBOX C ATOM 2784 O2 CYT A 93 66.906 51.392 43.989 1.00 0.00 SBOX O ATOM 2785 C3' CYT A 93 67.303 51.754 48.607 1.00 0.00 SBOX C ATOM 2786 H3' CYT A 93 67.362 52.840 48.530 1.00 0.00 SBOX ATOM 2787 C2' CYT A 93 67.590 51.154 47.257 1.00 0.00 SBOX C ATOM 2788 H2'' CYT A 93 68.302 51.758 46.695 1.00 0.00 SBOX ATOM 2789 O2' CYT A 93 67.855 49.744 47.246 1.00 0.00 SBOX O ATOM 2790 H2' CYT A 93 68.539 49.586 46.591 1.00 0.00 SBOX ATOM 2791 O3' CYT A 93 68.253 51.359 49.571 1.00 0.00 SBOX O ATOM 2792 O3' ADE A 94 73.855 52.596 47.315 1.00 0.00 SBOX O ATOM 2793 H3T ADE A 94 74.217 53.446 47.055 1.00 0.00 SBOX ATOM 2794 P ADE A 94 69.468 52.295 50.067 1.00 0.00 SBOX P ATOM 2795 O1P ADE A 94 68.954 53.681 50.198 1.00 0.00 SBOX ATOM 2796 O2P ADE A 94 70.000 51.705 51.290 1.00 0.00 SBOX ATOM 2797 O5' ADE A 94 70.541 52.281 48.930 1.00 0.00 SBOX O ATOM 2798 C5' ADE A 94 71.186 51.011 48.561 1.00 0.00 SBOX C ATOM 2799 H5' ADE A 94 70.581 50.108 48.646 1.00 0.00 SBOX ATOM 2800 H5'' ADE A 94 72.044 50.826 49.207 1.00 0.00 SBOX ATOM 2801 C4' ADE A 94 71.673 51.200 47.070 1.00 0.00 SBOX C ATOM 2802 H4' ADE A 94 72.302 50.335 46.861 1.00 0.00 SBOX ATOM 2803 O4' ADE A 94 70.548 51.405 46.119 1.00 0.00 SBOX O ATOM 2804 C1' ADE A 94 71.063 52.162 44.982 1.00 0.00 SBOX C ATOM 2805 H1' ADE A 94 71.083 51.618 44.038 1.00 0.00 SBOX ATOM 2806 N9 ADE A 94 70.203 53.369 44.903 1.00 0.00 SBOX N ATOM 2807 C8 ADE A 94 69.586 54.005 45.927 1.00 0.00 SBOX C ATOM 2808 H8 ADE A 94 69.764 53.663 46.935 1.00 0.00 SBOX ATOM 2809 N7 ADE A 94 69.084 55.175 45.632 1.00 0.00 SBOX N ATOM 2810 C5 ADE A 94 69.197 55.240 44.241 1.00 0.00 SBOX C ATOM 2811 C6 ADE A 94 68.924 56.224 43.279 1.00 0.00 SBOX C ATOM 2812 N6 ADE A 94 68.389 57.439 43.457 1.00 0.00 SBOX N ATOM 2813 H61 ADE A 94 68.187 58.033 42.665 1.00 0.00 SBOX ATOM 2814 H62 ADE A 94 68.344 57.854 44.376 1.00 0.00 SBOX ATOM 2815 N1 ADE A 94 69.188 55.895 42.009 1.00 0.00 SBOX N ATOM 2816 C2 ADE A 94 69.909 54.821 41.716 1.00 0.00 SBOX C ATOM 2817 H2 ADE A 94 70.176 54.650 40.684 1.00 0.00 SBOX ATOM 2818 N3 ADE A 94 70.367 53.882 42.556 1.00 0.00 SBOX N ATOM 2819 C4 ADE A 94 69.913 54.131 43.827 1.00 0.00 SBOX C ATOM 2820 C3' ADE A 94 72.472 52.479 46.874 1.00 0.00 SBOX C ATOM 2821 H3' ADE A 94 71.896 53.345 47.199 1.00 0.00 SBOX ATOM 2822 C2' ADE A 94 72.451 52.588 45.313 1.00 0.00 SBOX C ATOM 2823 H2'' ADE A 94 72.735 53.632 45.179 1.00 0.00 SBOX ATOM 2824 O2' ADE A 94 73.350 51.711 44.644 1.00 0.00 SBOX O ATOM 2825 H2' ADE A 94 73.511 52.066 43.767 1.00 0.00 SBOX ATOM 2826 OH2 TIP3X 401 59.233 10.110 13.561 1.00 0.00 SOLV O ATOM 2827 H1 TIP3X 401 59.024 9.198 13.766 1.00 0.00 SOLV ATOM 2828 H2 TIP3X 401 58.381 10.540 13.484 1.00 0.00 SOLV ATOM 2829 OH2 TIP3X 402 54.176 62.664 49.668 1.00 0.00 SOLV O ATOM 2830 H1 TIP3X 402 54.409 62.190 48.870 1.00 0.00 SOLV ATOM 2831 H2 TIP3X 402 53.535 63.315 49.382 1.00 0.00 SOLV ATOM 2832 OH2 TIP3X 403 48.488 33.336 6.119 1.00 0.00 SOLV O ATOM 2833 H1 TIP3X 403 48.933 33.183 6.953 1.00 0.00 SOLV ATOM 2834 H2 TIP3X 403 48.963 34.068 5.725 1.00 0.00 SOLV ATOM 2835 OH2 TIP3X 404 86.007 37.235 24.772 1.00 0.00 SOLV O ATOM 2836 H1 TIP3X 404 86.669 37.628 24.202 1.00 0.00 SOLV ATOM 2837 H2 TIP3X 404 85.345 37.919 24.878 1.00 0.00 SOLV ATOM 2838 OH2 TIP3X 405 23.981 78.424 32.394 1.00 0.00 SOLV O ATOM 2839 H1 TIP3X 405 24.876 78.133 32.567 1.00 0.00 SOLV ATOM 2840 H2 TIP3X 405 24.053 78.973 31.613 1.00 0.00 SOLV ATOM 2841 OH2 TIP3X 406 44.367 57.642 28.483 1.00 0.00 SOLV O ATOM 2842 H1 TIP3X 406 43.773 58.317 28.811 1.00 0.00 SOLV ATOM 2843 H2 TIP3X 406 45.023 58.124 27.980 1.00 0.00 SOLV ATOM 2844 OH2 TIP3X 407 27.046 40.280 23.583 1.00 0.00 SOLV O ATOM 2845 H1 TIP3X 407 27.338 41.001 24.139 1.00 0.00 SOLV ATOM 2846 H2 TIP3X 407 27.855 39.863 23.286 1.00 0.00 SOLV ATOM 2847 OH2 TIP3X 408 85.309 52.009 6.064 1.00 0.00 SOLV O ATOM 2848 H1 TIP3X 408 86.251 52.098 6.210 1.00 0.00 SOLV ATOM 2849 H2 TIP3X 408 84.920 52.115 6.932 1.00 0.00 SOLV ATOM 2850 OH2 TIP3X 409 55.671 48.925 21.551 1.00 0.00 SOLV O ATOM 2851 H1 TIP3X 409 56.011 49.323 20.749 1.00 0.00 SOLV ATOM 2852 H2 TIP3X 409 55.786 47.984 21.419 1.00 0.00 SOLV ATOM 2853 OH2 TIP3X 410 59.399 89.479 -4.069 1.00 0.00 SOLV O ATOM 2854 H1 TIP3X 410 58.956 89.637 -3.236 1.00 0.00 SOLV ATOM 2855 H2 TIP3X 410 58.920 88.749 -4.462 1.00 0.00 SOLV ATOM 2856 OH2 TIP3X 411 61.194 23.383 39.183 1.00 0.00 SOLV O ATOM 2857 H1 TIP3X 411 60.646 22.602 39.265 1.00 0.00 SOLV ATOM 2858 H2 TIP3X 411 60.714 23.950 38.579 1.00 0.00 SOLV ATOM 2859 OH2 TIP3X 412 77.659 21.496 1.060 1.00 0.00 SOLV O ATOM 2860 H1 TIP3X 412 77.421 20.860 0.386 1.00 0.00 SOLV ATOM 2861 H2 TIP3X 412 78.609 21.587 0.980 1.00 0.00 SOLV ATOM 2862 OH2 TIP3X 413 57.333 35.871 24.495 1.00 0.00 SOLV O ATOM 2863 H1 TIP3X 413 56.668 35.540 25.099 1.00 0.00 SOLV ATOM 2864 H2 TIP3X 413 56.864 36.002 23.671 1.00 0.00 SOLV ATOM 2865 OH2 TIP3X 415 52.251 55.144 26.754 1.00 0.00 SOLV O ATOM 2866 H1 TIP3X 415 52.398 54.202 26.670 1.00 0.00 SOLV ATOM 2867 H2 TIP3X 415 52.320 55.478 25.859 1.00 0.00 SOLV ATOM 2868 OH2 TIP3X 416 32.226 64.119 -12.435 1.00 0.00 SOLV O ATOM 2869 H1 TIP3X 416 31.557 63.504 -12.133 1.00 0.00 SOLV ATOM 2870 H2 TIP3X 416 33.045 63.624 -12.390 1.00 0.00 SOLV ATOM 2871 OH2 TIP3X 417 52.303 47.033 47.304 1.00 0.00 SOLV O ATOM 2872 H1 TIP3X 417 52.873 46.970 48.071 1.00 0.00 SOLV ATOM 2873 H2 TIP3X 417 52.697 46.442 46.663 1.00 0.00 SOLV ATOM 2874 OH2 TIP3X 418 30.004 55.044 25.865 1.00 0.00 SOLV O ATOM 2875 H1 TIP3X 418 30.890 55.149 25.518 1.00 0.00 SOLV ATOM 2876 H2 TIP3X 418 29.437 55.427 25.196 1.00 0.00 SOLV ATOM 2877 OH2 TIP3X 419 58.421 37.099 15.976 1.00 0.00 SOLV O ATOM 2878 H1 TIP3X 419 58.358 38.054 15.962 1.00 0.00 SOLV ATOM 2879 H2 TIP3X 419 57.811 36.828 16.662 1.00 0.00 SOLV ATOM 2880 OH2 TIP3X 420 45.367 52.313 19.408 1.00 0.00 SOLV O ATOM 2881 H1 TIP3X 420 46.260 51.985 19.299 1.00 0.00 SOLV ATOM 2882 H2 TIP3X 420 45.220 52.869 18.642 1.00 0.00 SOLV ATOM 2883 OH2 TIP3X 421 47.263 32.229 43.094 1.00 0.00 SOLV O ATOM 2884 H1 TIP3X 421 47.838 32.976 42.932 1.00 0.00 SOLV ATOM 2885 H2 TIP3X 421 46.380 32.571 42.954 1.00 0.00 SOLV ATOM 2886 OH2 TIP3X 422 26.871 75.832 46.363 1.00 0.00 SOLV O ATOM 2887 H1 TIP3X 422 26.173 75.208 46.163 1.00 0.00 SOLV ATOM 2888 H2 TIP3X 422 27.503 75.720 45.653 1.00 0.00 SOLV ATOM 2889 OH2 TIP3X 423 51.273 52.958 56.047 1.00 0.00 SOLV O ATOM 2890 H1 TIP3X 423 51.722 53.174 55.229 1.00 0.00 SOLV ATOM 2891 H2 TIP3X 423 50.715 53.716 56.221 1.00 0.00 SOLV ATOM 2892 OH2 TIP3X 424 67.753 49.149 21.787 1.00 0.00 SOLV O ATOM 2893 H1 TIP3X 424 66.962 49.459 22.227 1.00 0.00 SOLV ATOM 2894 H2 TIP3X 424 68.430 49.777 22.040 1.00 0.00 SOLV ATOM 2895 OH2 TIP3X 425 26.169 11.550 -9.574 1.00 0.00 SOLV O ATOM 2896 H1 TIP3X 425 25.866 12.429 -9.346 1.00 0.00 SOLV ATOM 2897 H2 TIP3X 425 25.713 11.343 -10.390 1.00 0.00 SOLV ATOM 2898 OH2 TIP3X 426 25.775 25.510 66.489 1.00 0.00 SOLV O ATOM 2899 H1 TIP3X 426 25.306 25.474 65.655 1.00 0.00 SOLV ATOM 2900 H2 TIP3X 426 26.300 26.308 66.434 1.00 0.00 SOLV ATOM 2901 OH2 TIP3X 427 43.898 24.879 12.950 1.00 0.00 SOLV O ATOM 2902 H1 TIP3X 427 44.234 25.742 13.192 1.00 0.00 SOLV ATOM 2903 H2 TIP3X 427 44.621 24.279 13.133 1.00 0.00 SOLV ATOM 2904 OH2 TIP3X 428 69.543 26.964 18.841 1.00 0.00 SOLV O ATOM 2905 H1 TIP3X 428 69.488 27.522 18.065 1.00 0.00 SOLV ATOM 2906 H2 TIP3X 428 69.373 27.555 19.575 1.00 0.00 SOLV ATOM 2907 OH2 TIP3X 429 74.036 32.784 21.358 1.00 0.00 SOLV O ATOM 2908 H1 TIP3X 429 73.460 33.038 22.079 1.00 0.00 SOLV ATOM 2909 H2 TIP3X 429 73.450 32.390 20.711 1.00 0.00 SOLV ATOM 2910 OH2 TIP3X 430 62.501 39.860 -9.784 1.00 0.00 SOLV O ATOM 2911 H1 TIP3X 430 62.553 40.750 -9.437 1.00 0.00 SOLV ATOM 2912 H2 TIP3X 430 62.694 39.299 -9.033 1.00 0.00 SOLV ATOM 2913 OH2 TIP3X 431 23.854 9.041 36.299 1.00 0.00 SOLV O ATOM 2914 H1 TIP3X 431 22.898 9.054 36.251 1.00 0.00 SOLV ATOM 2915 H2 TIP3X 431 24.129 8.636 35.476 1.00 0.00 SOLV ATOM 2916 OH2 TIP3X 432 32.958 26.931 27.515 1.00 0.00 SOLV O ATOM 2917 H1 TIP3X 432 33.185 27.301 28.368 1.00 0.00 SOLV ATOM 2918 H2 TIP3X 432 33.542 27.372 26.899 1.00 0.00 SOLV ATOM 2919 OH2 TIP3X 433 80.642 29.899 -16.344 1.00 0.00 SOLV O ATOM 2920 H1 TIP3X 433 80.523 30.001 -17.288 1.00 0.00 SOLV ATOM 2921 H2 TIP3X 433 79.894 29.372 -16.063 1.00 0.00 SOLV ATOM 2922 OH2 TIP3X 434 77.628 65.342 30.030 1.00 0.00 SOLV O ATOM 2923 H1 TIP3X 434 76.741 65.584 29.763 1.00 0.00 SOLV ATOM 2924 H2 TIP3X 434 77.550 64.435 30.327 1.00 0.00 SOLV ATOM 2925 OH2 TIP3X 435 66.569 13.080 54.882 1.00 0.00 SOLV O ATOM 2926 H1 TIP3X 435 66.228 13.498 55.673 1.00 0.00 SOLV ATOM 2927 H2 TIP3X 435 66.749 13.807 54.286 1.00 0.00 SOLV ATOM 2928 OH2 TIP3X 436 55.488 36.386 22.474 1.00 0.00 SOLV O ATOM 2929 H1 TIP3X 436 55.045 35.680 22.003 1.00 0.00 SOLV ATOM 2930 H2 TIP3X 436 55.161 37.188 22.067 1.00 0.00 SOLV ATOM 2931 OH2 TIP3X 437 63.809 27.651 30.807 1.00 0.00 SOLV O ATOM 2932 H1 TIP3X 437 63.179 28.293 31.134 1.00 0.00 SOLV ATOM 2933 H2 TIP3X 437 63.672 27.642 29.859 1.00 0.00 SOLV ATOM 2934 OH2 TIP3X 438 41.649 55.066 -5.891 1.00 0.00 SOLV O ATOM 2935 H1 TIP3X 438 42.257 54.338 -6.021 1.00 0.00 SOLV ATOM 2936 H2 TIP3X 438 42.208 55.843 -5.866 1.00 0.00 SOLV ATOM 2937 OH2 TIP3X 439 89.977 11.675 -3.424 1.00 0.00 SOLV O ATOM 2938 H1 TIP3X 439 90.866 11.361 -3.262 1.00 0.00 SOLV ATOM 2939 H2 TIP3X 439 89.463 10.880 -3.568 1.00 0.00 SOLV ATOM 2940 OH2 TIP3X 440 44.821 69.985 17.790 1.00 0.00 SOLV O ATOM 2941 H1 TIP3X 440 44.633 69.070 17.584 1.00 0.00 SOLV ATOM 2942 H2 TIP3X 440 45.443 69.945 18.517 1.00 0.00 SOLV ATOM 2943 OH2 TIP3X 441 50.436 55.702 20.164 1.00 0.00 SOLV O ATOM 2944 H1 TIP3X 441 50.724 54.999 19.583 1.00 0.00 SOLV ATOM 2945 H2 TIP3X 441 50.984 56.450 19.926 1.00 0.00 SOLV ATOM 2946 OH2 TIP3X 442 26.944 7.654 28.058 1.00 0.00 SOLV O ATOM 2947 H1 TIP3X 442 26.863 8.606 28.126 1.00 0.00 SOLV ATOM 2948 H2 TIP3X 442 27.190 7.499 27.146 1.00 0.00 SOLV ATOM 2949 OH2 TIP3X 443 48.677 53.698 20.795 1.00 0.00 SOLV O ATOM 2950 H1 TIP3X 443 49.363 54.351 20.659 1.00 0.00 SOLV ATOM 2951 H2 TIP3X 443 49.088 52.866 20.560 1.00 0.00 SOLV ATOM 2952 OH2 TIP3X 444 25.274 20.013 -12.977 1.00 0.00 SOLV O ATOM 2953 H1 TIP3X 444 25.732 20.261 -12.174 1.00 0.00 SOLV ATOM 2954 H2 TIP3X 444 25.228 20.821 -13.487 1.00 0.00 SOLV ATOM 2955 OH2 TIP3X 445 71.775 50.767 18.426 1.00 0.00 SOLV O ATOM 2956 H1 TIP3X 445 71.164 50.919 19.147 1.00 0.00 SOLV ATOM 2957 H2 TIP3X 445 71.308 50.175 17.836 1.00 0.00 SOLV ATOM 2958 OH2 TIP3X 446 81.315 96.689 43.414 1.00 0.00 SOLV O ATOM 2959 H1 TIP3X 446 81.992 96.489 42.768 1.00 0.00 SOLV ATOM 2960 H2 TIP3X 446 80.515 96.311 43.049 1.00 0.00 SOLV ATOM 2961 OH2 TIP3X 447 53.185 28.664 20.010 1.00 0.00 SOLV O ATOM 2962 H1 TIP3X 447 52.276 28.959 20.061 1.00 0.00 SOLV ATOM 2963 H2 TIP3X 447 53.702 29.436 20.242 1.00 0.00 SOLV ATOM 2964 OH2 TIP3X 448 60.646 51.772 -4.690 1.00 0.00 SOLV O ATOM 2965 H1 TIP3X 448 60.185 52.267 -5.368 1.00 0.00 SOLV ATOM 2966 H2 TIP3X 448 60.426 52.221 -3.874 1.00 0.00 SOLV ATOM 2967 OH2 TIP3X 449 67.688 51.287 55.722 1.00 0.00 SOLV O ATOM 2968 H1 TIP3X 449 67.619 51.849 54.950 1.00 0.00 SOLV ATOM 2969 H2 TIP3X 449 67.732 51.897 56.459 1.00 0.00 SOLV ATOM 2970 OH2 TIP3X 450 33.638 89.009 9.449 1.00 0.00 SOLV O ATOM 2971 H1 TIP3X 450 34.381 89.185 10.026 1.00 0.00 SOLV ATOM 2972 H2 TIP3X 450 32.888 88.933 10.040 1.00 0.00 SOLV ATOM 2973 OH2 TIP3X 451 40.447 63.729 63.419 1.00 0.00 SOLV O ATOM 2974 H1 TIP3X 451 41.297 64.013 63.082 1.00 0.00 SOLV ATOM 2975 H2 TIP3X 451 40.628 63.441 64.314 1.00 0.00 SOLV ATOM 2976 OH2 TIP3X 452 66.800 77.253 66.649 1.00 0.00 SOLV O ATOM 2977 H1 TIP3X 452 67.706 77.433 66.396 1.00 0.00 SOLV ATOM 2978 H2 TIP3X 452 66.275 77.609 65.932 1.00 0.00 SOLV ATOM 2979 OH2 TIP3X 453 56.599 70.509 25.568 1.00 0.00 SOLV O ATOM 2980 H1 TIP3X 453 56.495 69.605 25.865 1.00 0.00 SOLV ATOM 2981 H2 TIP3X 453 57.217 70.453 24.840 1.00 0.00 SOLV ATOM 2982 OH2 TIP3X 454 57.130 51.625 23.762 1.00 0.00 SOLV O ATOM 2983 H1 TIP3X 454 57.058 51.402 22.834 1.00 0.00 SOLV ATOM 2984 H2 TIP3X 454 56.902 50.816 24.221 1.00 0.00 SOLV ATOM 2985 OH2 TIP3X 455 52.281 55.607 23.723 1.00 0.00 SOLV O ATOM 2986 H1 TIP3X 455 51.922 56.146 23.018 1.00 0.00 SOLV ATOM 2987 H2 TIP3X 455 53.226 55.611 23.570 1.00 0.00 SOLV ATOM 2988 OH2 TIP3X 456 36.275 35.164 36.340 1.00 0.00 SOLV O ATOM 2989 H1 TIP3X 456 36.329 35.498 35.445 1.00 0.00 SOLV ATOM 2990 H2 TIP3X 456 37.134 34.773 36.502 1.00 0.00 SOLV ATOM 2991 OH2 TIP3X 457 65.873 28.192 12.017 1.00 0.00 SOLV O ATOM 2992 H1 TIP3X 457 65.777 29.131 12.176 1.00 0.00 SOLV ATOM 2993 H2 TIP3X 457 65.029 27.922 11.656 1.00 0.00 SOLV ATOM 2994 OH2 TIP3X 458 47.037 20.608 45.222 1.00 0.00 SOLV O ATOM 2995 H1 TIP3X 458 46.495 19.917 45.602 1.00 0.00 SOLV ATOM 2996 H2 TIP3X 458 46.612 20.816 44.390 1.00 0.00 SOLV ATOM 2997 OH2 TIP3X 459 48.466 53.732 23.868 1.00 0.00 SOLV O ATOM 2998 H1 TIP3X 459 48.373 54.549 23.376 1.00 0.00 SOLV ATOM 2999 H2 TIP3X 459 49.292 53.360 23.561 1.00 0.00 SOLV ATOM 3000 OH2 TIP3X 460 62.752 46.384 33.223 1.00 0.00 SOLV O ATOM 3001 H1 TIP3X 460 62.377 45.667 32.711 1.00 0.00 SOLV ATOM 3002 H2 TIP3X 460 62.172 46.466 33.981 1.00 0.00 SOLV ATOM 3003 OH2 TIP3X 461 74.410 68.518 17.020 1.00 0.00 SOLV O ATOM 3004 H1 TIP3X 461 73.472 68.364 16.903 1.00 0.00 SOLV ATOM 3005 H2 TIP3X 461 74.554 68.418 17.961 1.00 0.00 SOLV ATOM 3006 OH2 TIP3X 462 78.033 49.812 32.151 1.00 0.00 SOLV O ATOM 3007 H1 TIP3X 462 77.386 50.273 32.685 1.00 0.00 SOLV ATOM 3008 H2 TIP3X 462 78.572 50.507 31.773 1.00 0.00 SOLV ATOM 3009 OH2 TIP3X 463 43.907 67.139 17.845 1.00 0.00 SOLV O ATOM 3010 H1 TIP3X 463 43.428 67.104 17.017 1.00 0.00 SOLV ATOM 3011 H2 TIP3X 463 43.726 66.297 18.263 1.00 0.00 SOLV ATOM 3012 OH2 TIP3X 464 26.858 13.962 -2.417 1.00 0.00 SOLV O ATOM 3013 H1 TIP3X 464 26.027 14.389 -2.208 1.00 0.00 SOLV ATOM 3014 H2 TIP3X 464 27.479 14.683 -2.518 1.00 0.00 SOLV ATOM 3015 OH2 TIP3X 465 79.784 64.841 60.961 1.00 0.00 SOLV O ATOM 3016 H1 TIP3X 465 80.035 64.504 60.101 1.00 0.00 SOLV ATOM 3017 H2 TIP3X 465 79.533 64.062 61.459 1.00 0.00 SOLV ATOM 3018 OH2 TIP3X 466 30.889 40.587 18.733 1.00 0.00 SOLV O ATOM 3019 H1 TIP3X 466 31.293 40.892 19.545 1.00 0.00 SOLV ATOM 3020 H2 TIP3X 466 30.441 39.777 18.977 1.00 0.00 SOLV ATOM 3021 OH2 TIP3X 467 56.517 40.401 32.515 1.00 0.00 SOLV O ATOM 3022 H1 TIP3X 467 55.904 39.723 32.800 1.00 0.00 SOLV ATOM 3023 H2 TIP3X 467 56.141 40.738 31.702 1.00 0.00 SOLV ATOM 3024 OH2 TIP3X 468 35.491 27.275 41.223 1.00 0.00 SOLV O ATOM 3025 H1 TIP3X 468 35.586 27.893 40.498 1.00 0.00 SOLV ATOM 3026 H2 TIP3X 468 35.443 26.417 40.802 1.00 0.00 SOLV ATOM 3027 OH2 TIP3X 469 52.594 45.672 10.174 1.00 0.00 SOLV O ATOM 3028 H1 TIP3X 469 53.551 45.660 10.175 1.00 0.00 SOLV ATOM 3029 H2 TIP3X 469 52.356 45.916 11.069 1.00 0.00 SOLV ATOM 3030 OH2 TIP3X 470 25.798 21.037 34.567 1.00 0.00 SOLV O ATOM 3031 H1 TIP3X 470 26.361 20.787 35.299 1.00 0.00 SOLV ATOM 3032 H2 TIP3X 470 25.445 20.208 34.242 1.00 0.00 SOLV ATOM 3033 OH2 TIP3X 471 82.225 16.816 64.715 1.00 0.00 SOLV O ATOM 3034 H1 TIP3X 471 81.335 16.679 64.389 1.00 0.00 SOLV ATOM 3035 H2 TIP3X 471 82.289 16.250 65.484 1.00 0.00 SOLV ATOM 3036 OH2 TIP3X 472 48.060 44.256 24.902 1.00 0.00 SOLV O ATOM 3037 H1 TIP3X 472 47.584 44.981 24.495 1.00 0.00 SOLV ATOM 3038 H2 TIP3X 472 48.696 43.985 24.240 1.00 0.00 SOLV ATOM 3039 OH2 TIP3X 473 32.112 75.395 -13.048 1.00 0.00 SOLV O ATOM 3040 H1 TIP3X 473 31.825 75.673 -13.918 1.00 0.00 SOLV ATOM 3041 H2 TIP3X 473 31.458 75.758 -12.451 1.00 0.00 SOLV ATOM 3042 OH2 TIP3X 474 58.218 55.342 33.281 1.00 0.00 SOLV O ATOM 3043 H1 TIP3X 474 57.795 56.182 33.458 1.00 0.00 SOLV ATOM 3044 H2 TIP3X 474 58.055 55.181 32.352 1.00 0.00 SOLV ATOM 3045 OH2 TIP3X 475 32.419 60.674 13.567 1.00 0.00 SOLV O ATOM 3046 H1 TIP3X 475 33.338 60.860 13.758 1.00 0.00 SOLV ATOM 3047 H2 TIP3X 475 32.207 59.920 14.117 1.00 0.00 SOLV ATOM 3048 OH2 TIP3X 476 76.522 35.758 -16.028 1.00 0.00 SOLV O ATOM 3049 H1 TIP3X 476 77.204 36.348 -15.705 1.00 0.00 SOLV ATOM 3050 H2 TIP3X 476 77.000 35.005 -16.373 1.00 0.00 SOLV ATOM 3051 OH2 TIP3X 477 46.500 69.383 -7.312 1.00 0.00 SOLV O ATOM 3052 H1 TIP3X 477 47.295 69.129 -6.843 1.00 0.00 SOLV ATOM 3053 H2 TIP3X 477 46.751 69.365 -8.236 1.00 0.00 SOLV ATOM 3054 OH2 TIP3X 478 21.104 79.591 11.082 1.00 0.00 SOLV O ATOM 3055 H1 TIP3X 478 20.389 79.082 11.464 1.00 0.00 SOLV ATOM 3056 H2 TIP3X 478 21.287 80.272 11.729 1.00 0.00 SOLV ATOM 3057 OH2 TIP3X 479 40.186 49.622 28.809 1.00 0.00 SOLV O ATOM 3058 H1 TIP3X 479 40.444 48.795 29.216 1.00 0.00 SOLV ATOM 3059 H2 TIP3X 479 40.691 49.658 27.997 1.00 0.00 SOLV ATOM 3060 OH2 TIP3X 480 52.873 55.524 17.153 1.00 0.00 SOLV O ATOM 3061 H1 TIP3X 480 53.208 55.190 17.984 1.00 0.00 SOLV ATOM 3062 H2 TIP3X 480 52.865 54.763 16.573 1.00 0.00 SOLV ATOM 3063 OH2 TIP3X 481 74.312 6.386 42.648 1.00 0.00 SOLV O ATOM 3064 H1 TIP3X 481 74.842 6.594 43.417 1.00 0.00 SOLV ATOM 3065 H2 TIP3X 481 73.593 5.853 42.988 1.00 0.00 SOLV ATOM 3066 OH2 TIP3X 482 68.974 88.407 60.376 1.00 0.00 SOLV O ATOM 3067 H1 TIP3X 482 68.939 88.733 59.477 1.00 0.00 SOLV ATOM 3068 H2 TIP3X 482 68.850 89.185 60.919 1.00 0.00 SOLV ATOM 3069 OH2 TIP3X 483 82.213 67.205 27.998 1.00 0.00 SOLV O ATOM 3070 H1 TIP3X 483 81.452 67.032 28.551 1.00 0.00 SOLV ATOM 3071 H2 TIP3X 483 82.177 66.530 27.321 1.00 0.00 SOLV ATOM 3072 OH2 TIP3X 484 36.284 86.842 61.139 1.00 0.00 SOLV O ATOM 3073 H1 TIP3X 484 35.592 86.911 61.796 1.00 0.00 SOLV ATOM 3074 H2 TIP3X 484 36.256 85.928 60.856 1.00 0.00 SOLV ATOM 3075 OH2 TIP3X 485 66.047 68.069 45.618 1.00 0.00 SOLV O ATOM 3076 H1 TIP3X 485 65.211 67.639 45.434 1.00 0.00 SOLV ATOM 3077 H2 TIP3X 485 66.026 68.241 46.559 1.00 0.00 SOLV ATOM 3078 OH2 TIP3X 486 30.616 30.066 35.359 1.00 0.00 SOLV O ATOM 3079 H1 TIP3X 486 29.946 30.491 35.894 1.00 0.00 SOLV ATOM 3080 H2 TIP3X 486 31.268 30.749 35.202 1.00 0.00 SOLV ATOM 3081 OH2 TIP3X 487 40.595 50.600 26.108 1.00 0.00 SOLV O ATOM 3082 H1 TIP3X 487 40.730 51.525 26.317 1.00 0.00 SOLV ATOM 3083 H2 TIP3X 487 41.461 50.284 25.849 1.00 0.00 SOLV ATOM 3084 OH2 TIP3X 488 22.195 61.282 -15.756 1.00 0.00 SOLV O ATOM 3085 H1 TIP3X 488 22.170 61.441 -16.699 1.00 0.00 SOLV ATOM 3086 H2 TIP3X 488 22.275 62.153 -15.367 1.00 0.00 SOLV ATOM 3087 OH2 TIP3X 489 50.387 42.770 38.541 1.00 0.00 SOLV O ATOM 3088 H1 TIP3X 489 50.913 42.955 37.762 1.00 0.00 SOLV ATOM 3089 H2 TIP3X 489 49.608 42.327 38.204 1.00 0.00 SOLV ATOM 3090 MG MG X 205 44.805 52.418 21.319 1.00 0.00 IONSMG ATOM 3091 MG MG X 206 57.899 41.128 33.727 1.00 0.00 IONSMG ATOM 3092 C4' SAM X 301 49.050 54.292 31.927 1.00 0.00 SAM C ATOM 3093 H4' SAM X 301 49.918 53.695 32.219 1.00 0.00 SAM ATOM 3094 O4' SAM X 301 49.549 55.702 31.837 1.00 0.00 SAM O ATOM 3095 C1' SAM X 301 49.634 56.191 33.161 1.00 0.00 SAM C ATOM 3096 H1' SAM X 301 50.694 56.173 33.454 1.00 0.00 SAM ATOM 3097 N9 SAM X 301 49.147 57.565 33.089 1.00 0.00 SAM N ATOM 3098 C5 SAM X 301 47.941 59.186 32.149 1.00 0.00 SAM C ATOM 3099 N7 SAM X 301 49.252 59.637 32.207 1.00 0.00 SAM N ATOM 3100 C8 SAM X 301 49.926 58.693 32.847 1.00 0.00 SAM C ATOM 3101 H8 SAM X 301 50.995 58.732 32.987 1.00 0.00 SAM ATOM 3102 N1 SAM X 301 45.712 59.216 31.352 1.00 0.00 SAM N ATOM 3103 C2 SAM X 301 45.749 57.936 31.767 1.00 0.00 SAM C ATOM 3104 H2 SAM X 301 44.786 57.437 31.738 1.00 0.00 SAM ATOM 3105 N3 SAM X 301 46.734 57.270 32.364 1.00 0.00 SAM N ATOM 3106 C4 SAM X 301 47.887 57.927 32.612 1.00 0.00 SAM C ATOM 3107 C6 SAM X 301 46.872 59.794 31.487 1.00 0.00 SAM C ATOM 3108 N6 SAM X 301 46.981 60.945 30.898 1.00 0.00 SAM N ATOM 3109 H61 SAM X 301 47.582 61.578 31.413 1.00 0.00 SAM ATOM 3110 H62 SAM X 301 46.027 61.284 30.842 1.00 0.00 SAM ATOM 3111 C2' SAM X 301 48.797 55.167 34.048 1.00 0.00 SAM C ATOM 3112 H2'' SAM X 301 48.113 55.732 34.687 1.00 0.00 SAM ATOM 3113 O2' SAM X 301 49.622 54.401 34.916 1.00 0.00 SAM O ATOM 3114 H2' SAM X 301 49.363 53.522 34.629 1.00 0.00 SAM ATOM 3115 N SAM X 301 49.159 59.035 29.247 1.00 0.00 SAM N ATOM 3116 HT1 SAM X 301 50.190 59.066 29.292 1.00 0.00 SAM ATOM 3117 HT2 SAM X 301 49.047 60.043 29.047 1.00 0.00 SAM ATOM 3118 HT3 SAM X 301 48.825 58.922 30.218 1.00 0.00 SAM ATOM 3119 CA SAM X 301 48.602 58.021 28.219 1.00 0.00 SAM C ATOM 3120 HA SAM X 301 49.312 58.148 27.401 1.00 0.00 SAM ATOM 3121 CB SAM X 301 48.593 56.638 28.913 1.00 0.00 SAM C ATOM 3122 HB1 SAM X 301 48.110 56.662 29.892 1.00 0.00 SAM ATOM 3123 HB2 SAM X 301 48.051 55.966 28.243 1.00 0.00 SAM ATOM 3124 CG SAM X 301 49.949 55.971 28.957 1.00 0.00 SAM C ATOM 3125 HG1 SAM X 301 50.597 56.286 28.136 1.00 0.00 SAM ATOM 3126 HG2 SAM X 301 50.426 56.415 29.834 1.00 0.00 SAM ATOM 3127 SD SAM X 301 49.983 54.255 29.285 1.00 0.00 SAM S ATOM 3128 C5' SAM X 301 48.598 53.856 30.540 1.00 0.00 SAM C ATOM 3129 H5' SAM X 301 48.458 52.773 30.589 1.00 0.00 SAM ATOM 3130 H5'' SAM X 301 47.648 54.294 30.224 1.00 0.00 SAM ATOM 3131 CE SAM X 301 49.345 53.554 27.711 1.00 0.00 SAM C ATOM 3132 HE1 SAM X 301 48.306 53.856 27.554 1.00 0.00 SAM ATOM 3133 HE2 SAM X 301 49.370 52.468 27.584 1.00 0.00 SAM ATOM 3134 HE3 SAM X 301 50.000 53.940 26.926 1.00 0.00 SAM ATOM 3135 C3' SAM X 301 48.070 54.314 33.110 1.00 0.00 SAM C ATOM 3136 H3' SAM X 301 47.105 54.709 32.783 1.00 0.00 SAM ATOM 3137 O3' SAM X 301 47.892 52.984 33.616 1.00 0.00 SAM O ATOM 3138 H3T SAM X 301 47.006 52.842 33.957 1.00 0.00 SAM ATOM 3139 C SAM X 301 47.242 58.144 27.463 1.00 0.00 SAM C ATOM 3140 OXT SAM X 301 46.558 59.093 27.744 1.00 0.00 SAM O ATOM 3141 O SAM X 301 46.747 57.349 26.631 1.00 0.00 SAM O ATOM 3142 OH2 TIP3 1 26.509 96.140 10.764 1.00 0.00 WT1 O ATOM 3143 H1 TIP3 1 26.499 95.938 9.828 1.00 0.00 WT1 H ATOM 3144 H2 TIP3 1 26.398 95.292 11.194 1.00 0.00 WT1 H ATOM 3145 OH2 TIP3 2 27.815 22.732 56.788 1.00 0.00 WT1 O ATOM 3146 H1 TIP3 2 27.330 21.961 57.082 1.00 0.00 WT1 H ATOM 3147 H2 TIP3 2 28.213 23.083 57.585 1.00 0.00 WT1 H ATOM 3148 OH2 TIP3 3 86.951 86.794 33.683 1.00 0.00 WT1 O ATOM 3149 H1 TIP3 3 86.125 87.243 33.507 1.00 0.00 WT1 H ATOM 3150 H2 TIP3 3 86.884 85.969 33.202 1.00 0.00 WT1 H ATOM 3151 OH2 TIP3 4 84.751 86.758 11.249 1.00 0.00 WT1 O ATOM 3152 H1 TIP3 4 84.251 87.497 10.901 1.00 0.00 WT1 H ATOM 3153 H2 TIP3 4 84.271 86.492 12.033 1.00 0.00 WT1 H ATOM 3154 OH2 TIP3 5 20.567 7.194 60.204 1.00 0.00 WT1 O ATOM 3155 H1 TIP3 5 20.013 7.974 60.218 1.00 0.00 WT1 H ATOM 3156 H2 TIP3 5 21.200 7.361 59.505 1.00 0.00 WT1 H ATOM 3157 OH2 TIP3 6 50.663 7.550 -5.522 1.00 0.00 WT1 O ATOM 3158 H1 TIP3 6 50.991 7.118 -4.733 1.00 0.00 WT1 H ATOM 3159 H2 TIP3 6 49.990 8.152 -5.203 1.00 0.00 WT1 H ATOM 3160 OH2 TIP3 7 71.838 78.638 34.210 1.00 0.00 WT1 O ATOM 3161 H1 TIP3 7 72.184 77.821 34.568 1.00 0.00 WT1 H ATOM 3162 H2 TIP3 7 70.889 78.514 34.204 1.00 0.00 WT1 H ATOM 3163 OH2 TIP3 8 69.649 14.915 6.955 1.00 0.00 WT1 O ATOM 3164 H1 TIP3 8 69.905 15.832 6.857 1.00 0.00 WT1 H ATOM 3165 H2 TIP3 8 68.703 14.912 6.804 1.00 0.00 WT1 H ATOM 3166 OH2 TIP3 9 36.560 16.539 -6.269 1.00 0.00 WT1 O ATOM 3167 H1 TIP3 9 35.839 16.580 -6.898 1.00 0.00 WT1 H ATOM 3168 H2 TIP3 9 36.265 15.914 -5.607 1.00 0.00 WT1 H ATOM 3169 OH2 TIP3 10 21.833 91.796 19.364 1.00 0.00 WT1 O ATOM 3170 H1 TIP3 10 22.749 91.636 19.139 1.00 0.00 WT1 H ATOM 3171 H2 TIP3 10 21.866 92.482 20.031 1.00 0.00 WT1 H ATOM 3172 OH2 TIP3 11 38.377 44.470 14.483 1.00 0.00 WT1 O ATOM 3173 H1 TIP3 11 38.576 44.389 15.415 1.00 0.00 WT1 H ATOM 3174 H2 TIP3 11 38.423 45.410 14.308 1.00 0.00 WT1 H ATOM 3175 OH2 TIP3 12 51.596 32.501 41.470 1.00 0.00 WT1 O ATOM 3176 H1 TIP3 12 51.130 32.908 42.200 1.00 0.00 WT1 H ATOM 3177 H2 TIP3 12 52.034 33.228 41.028 1.00 0.00 WT1 H ATOM 3178 OH2 TIP3 13 47.457 95.204 -9.078 1.00 0.00 WT1 O ATOM 3179 H1 TIP3 13 46.874 95.427 -9.803 1.00 0.00 WT1 H ATOM 3180 H2 TIP3 13 47.116 94.375 -8.742 1.00 0.00 WT1 H ATOM 3181 OH2 TIP3 14 34.253 60.285 43.874 1.00 0.00 WT1 O ATOM 3182 H1 TIP3 14 34.678 60.167 43.025 1.00 0.00 WT1 H ATOM 3183 H2 TIP3 14 33.605 60.973 43.725 1.00 0.00 WT1 H ATOM 3184 OH2 TIP3 15 37.218 21.925 41.064 1.00 0.00 WT1 O ATOM 3185 H1 TIP3 15 37.621 22.156 40.227 1.00 0.00 WT1 H ATOM 3186 H2 TIP3 15 37.822 22.267 41.723 1.00 0.00 WT1 H ATOM 3187 OH2 TIP3 16 29.591 52.343 19.103 1.00 0.00 WT1 O ATOM 3188 H1 TIP3 16 30.384 52.646 19.545 1.00 0.00 WT1 H ATOM 3189 H2 TIP3 16 29.905 51.957 18.285 1.00 0.00 WT1 H ATOM 3190 OH2 TIP3 17 84.054 5.254 39.214 1.00 0.00 WT1 O ATOM 3191 H1 TIP3 17 83.788 4.336 39.267 1.00 0.00 WT1 H ATOM 3192 H2 TIP3 17 84.584 5.305 38.419 1.00 0.00 WT1 H ATOM 3193 OH2 TIP3 18 64.968 95.205 43.626 1.00 0.00 WT1 O ATOM 3194 H1 TIP3 18 65.091 94.923 42.720 1.00 0.00 WT1 H ATOM 3195 H2 TIP3 18 64.539 94.463 44.053 1.00 0.00 WT1 H ATOM 3196 OH2 TIP3 19 29.993 10.307 38.138 1.00 0.00 WT1 O ATOM 3197 H1 TIP3 19 30.769 10.725 38.511 1.00 0.00 WT1 H ATOM 3198 H2 TIP3 19 29.459 10.071 38.897 1.00 0.00 WT1 H ATOM 3199 OH2 TIP3 20 35.513 49.815 32.285 1.00 0.00 WT1 O ATOM 3200 H1 TIP3 20 36.466 49.858 32.205 1.00 0.00 WT1 H ATOM 3201 H2 TIP3 20 35.358 49.140 32.946 1.00 0.00 WT1 H ATOM 3202 OH2 TIP3 21 55.993 11.649 -14.461 1.00 0.00 WT1 O ATOM 3203 H1 TIP3 21 56.792 11.305 -14.860 1.00 0.00 WT1 H ATOM 3204 H2 TIP3 21 55.283 11.248 -14.962 1.00 0.00 WT1 H ATOM 3205 OH2 TIP3 22 41.120 17.742 2.895 1.00 0.00 WT1 O ATOM 3206 H1 TIP3 22 40.333 17.740 2.351 1.00 0.00 WT1 H ATOM 3207 H2 TIP3 22 41.835 17.563 2.285 1.00 0.00 WT1 H ATOM 3208 OH2 TIP3 23 36.965 90.268 66.917 1.00 0.00 WT1 O ATOM 3209 H1 TIP3 23 36.087 90.650 66.939 1.00 0.00 WT1 H ATOM 3210 H2 TIP3 23 36.920 89.604 66.229 1.00 0.00 WT1 H ATOM 3211 OH2 TIP3 24 79.402 63.081 4.362 1.00 0.00 WT1 O ATOM 3212 H1 TIP3 24 79.654 63.742 3.717 1.00 0.00 WT1 H ATOM 3213 H2 TIP3 24 79.598 62.246 3.938 1.00 0.00 WT1 H ATOM 3214 OH2 TIP3 25 43.077 81.494 18.682 1.00 0.00 WT1 O ATOM 3215 H1 TIP3 25 42.604 80.872 19.234 1.00 0.00 WT1 H ATOM 3216 H2 TIP3 25 43.226 81.023 17.862 1.00 0.00 WT1 H ATOM 3217 OH2 TIP3 26 86.934 74.743 5.720 1.00 0.00 WT1 O ATOM 3218 H1 TIP3 26 86.279 74.047 5.779 1.00 0.00 WT1 H ATOM 3219 H2 TIP3 26 87.771 74.296 5.850 1.00 0.00 WT1 H ATOM 3220 OH2 TIP3 27 89.144 16.818 -14.625 1.00 0.00 WT1 O ATOM 3221 H1 TIP3 27 89.839 17.474 -14.574 1.00 0.00 WT1 H ATOM 3222 H2 TIP3 27 89.520 16.111 -15.150 1.00 0.00 WT1 H ATOM 3223 OH2 TIP3 28 51.134 85.820 66.626 1.00 0.00 WT1 O ATOM 3224 H1 TIP3 28 51.140 86.219 67.496 1.00 0.00 WT1 H ATOM 3225 H2 TIP3 28 51.662 86.410 66.088 1.00 0.00 WT1 H ATOM 3226 OH2 TIP3 29 53.696 65.603 -5.130 1.00 0.00 WT1 O ATOM 3227 H1 TIP3 29 54.312 65.491 -4.406 1.00 0.00 WT1 H ATOM 3228 H2 TIP3 29 53.082 66.269 -4.822 1.00 0.00 WT1 H ATOM 3229 OH2 TIP3 30 77.378 29.035 22.014 1.00 0.00 WT1 O ATOM 3230 H1 TIP3 30 77.393 28.126 22.314 1.00 0.00 WT1 H ATOM 3231 H2 TIP3 30 76.558 29.388 22.359 1.00 0.00 WT1 H ATOM 3232 OH2 TIP3 31 66.590 66.932 17.151 1.00 0.00 WT1 O ATOM 3233 H1 TIP3 31 66.382 66.056 17.477 1.00 0.00 WT1 H ATOM 3234 H2 TIP3 31 67.334 66.798 16.563 1.00 0.00 WT1 H ATOM 3235 OH2 TIP3 32 55.798 90.138 36.280 1.00 0.00 WT1 O ATOM 3236 H1 TIP3 32 56.648 89.834 36.599 1.00 0.00 WT1 H ATOM 3237 H2 TIP3 32 55.551 89.500 35.611 1.00 0.00 WT1 H ATOM 3238 OH2 TIP3 33 33.152 43.023 56.766 1.00 0.00 WT1 O ATOM 3239 H1 TIP3 33 33.570 43.864 56.580 1.00 0.00 WT1 H ATOM 3240 H2 TIP3 33 33.487 42.434 56.090 1.00 0.00 WT1 H ATOM 3241 OH2 TIP3 34 32.626 4.720 35.770 1.00 0.00 WT1 O ATOM 3242 H1 TIP3 34 33.508 4.380 35.620 1.00 0.00 WT1 H ATOM 3243 H2 TIP3 34 32.048 4.078 35.358 1.00 0.00 WT1 H ATOM 3244 OH2 TIP3 35 51.505 21.024 23.077 1.00 0.00 WT1 O ATOM 3245 H1 TIP3 35 51.744 21.946 22.978 1.00 0.00 WT1 H ATOM 3246 H2 TIP3 35 50.724 21.037 23.630 1.00 0.00 WT1 H ATOM 3247 OH2 TIP3 38 21.139 31.398 -9.102 1.00 0.00 WT1 O ATOM 3248 H1 TIP3 38 20.423 31.712 -8.550 1.00 0.00 WT1 H ATOM 3249 H2 TIP3 38 21.162 30.453 -8.950 1.00 0.00 WT1 H ATOM 3250 OH2 TIP3 39 36.727 26.306 0.544 1.00 0.00 WT1 O ATOM 3251 H1 TIP3 39 37.273 27.093 0.535 1.00 0.00 WT1 H ATOM 3252 H2 TIP3 39 36.390 26.258 1.438 1.00 0.00 WT1 H ATOM 3253 OH2 TIP3 40 86.843 44.520 -3.509 1.00 0.00 WT1 O ATOM 3254 H1 TIP3 40 86.436 43.715 -3.828 1.00 0.00 WT1 H ATOM 3255 H2 TIP3 40 86.176 44.921 -2.951 1.00 0.00 WT1 H ATOM 3256 OH2 TIP3 41 48.413 80.640 64.480 1.00 0.00 WT1 O ATOM 3257 H1 TIP3 41 48.563 79.795 64.905 1.00 0.00 WT1 H ATOM 3258 H2 TIP3 41 47.466 80.768 64.528 1.00 0.00 WT1 H ATOM 3259 OH2 TIP3 42 29.304 38.279 3.077 1.00 0.00 WT1 O ATOM 3260 H1 TIP3 42 30.214 38.324 3.370 1.00 0.00 WT1 H ATOM 3261 H2 TIP3 42 28.898 39.069 3.434 1.00 0.00 WT1 H ATOM 3262 OH2 TIP3 43 24.624 1.370 -3.005 1.00 0.00 WT1 O ATOM 3263 H1 TIP3 43 23.928 1.292 -3.657 1.00 0.00 WT1 H ATOM 3264 H2 TIP3 43 25.298 0.756 -3.298 1.00 0.00 WT1 H ATOM 3265 OH2 TIP3 44 27.863 95.691 -9.536 1.00 0.00 WT1 O ATOM 3266 H1 TIP3 44 27.976 96.326 -8.829 1.00 0.00 WT1 H ATOM 3267 H2 TIP3 44 27.938 96.209 -10.337 1.00 0.00 WT1 H ATOM 3268 OH2 TIP3 45 83.201 15.368 -17.331 1.00 0.00 WT1 O ATOM 3269 H1 TIP3 45 82.804 16.061 -16.804 1.00 0.00 WT1 H ATOM 3270 H2 TIP3 45 84.134 15.583 -17.347 1.00 0.00 WT1 H ATOM 3271 OH2 TIP3 46 29.142 40.784 -17.010 1.00 0.00 WT1 O ATOM 3272 H1 TIP3 46 30.028 40.979 -16.704 1.00 0.00 WT1 H ATOM 3273 H2 TIP3 46 28.684 40.465 -16.232 1.00 0.00 WT1 H ATOM 3274 OH2 TIP3 47 41.219 61.834 3.876 1.00 0.00 WT1 O ATOM 3275 H1 TIP3 47 41.831 62.404 4.342 1.00 0.00 WT1 H ATOM 3276 H2 TIP3 47 41.279 60.994 4.331 1.00 0.00 WT1 H ATOM 3277 OH2 TIP3 48 49.927 34.295 54.579 1.00 0.00 WT1 O ATOM 3278 H1 TIP3 48 50.528 33.618 54.267 1.00 0.00 WT1 H ATOM 3279 H2 TIP3 48 49.970 34.980 53.912 1.00 0.00 WT1 H ATOM 3280 OH2 TIP3 49 31.892 5.789 2.412 1.00 0.00 WT1 O ATOM 3281 H1 TIP3 49 31.246 6.240 2.957 1.00 0.00 WT1 H ATOM 3282 H2 TIP3 49 32.489 6.480 2.126 1.00 0.00 WT1 H ATOM 3283 OH2 TIP3 50 89.575 34.330 -14.247 1.00 0.00 WT1 O ATOM 3284 H1 TIP3 50 90.116 33.560 -14.422 1.00 0.00 WT1 H ATOM 3285 H2 TIP3 50 89.549 34.800 -15.081 1.00 0.00 WT1 H ATOM 3286 OH2 TIP3 51 87.078 83.249 9.434 1.00 0.00 WT1 O ATOM 3287 H1 TIP3 51 86.797 84.163 9.399 1.00 0.00 WT1 H ATOM 3288 H2 TIP3 51 86.702 82.852 8.649 1.00 0.00 WT1 H ATOM 3289 OH2 TIP3 52 32.858 93.339 2.026 1.00 0.00 WT1 O ATOM 3290 H1 TIP3 52 32.301 93.212 1.257 1.00 0.00 WT1 H ATOM 3291 H2 TIP3 52 32.537 92.699 2.662 1.00 0.00 WT1 H ATOM 3292 OH2 TIP3 53 40.439 58.038 -7.221 1.00 0.00 WT1 O ATOM 3293 H1 TIP3 53 39.824 58.447 -6.612 1.00 0.00 WT1 H ATOM 3294 H2 TIP3 53 41.272 58.029 -6.751 1.00 0.00 WT1 H ATOM 3295 OH2 TIP3 54 67.267 66.872 -16.182 1.00 0.00 WT1 O ATOM 3296 H1 TIP3 54 66.870 67.525 -16.759 1.00 0.00 WT1 H ATOM 3297 H2 TIP3 54 66.671 66.124 -16.220 1.00 0.00 WT1 H ATOM 3298 OH2 TIP3 56 31.867 25.675 63.606 1.00 0.00 WT1 O ATOM 3299 H1 TIP3 56 31.562 26.500 63.983 1.00 0.00 WT1 H ATOM 3300 H2 TIP3 56 32.715 25.888 63.217 1.00 0.00 WT1 H ATOM 3301 OH2 TIP3 57 54.234 28.975 55.427 1.00 0.00 WT1 O ATOM 3302 H1 TIP3 57 54.901 28.708 54.794 1.00 0.00 WT1 H ATOM 3303 H2 TIP3 57 54.411 29.903 55.584 1.00 0.00 WT1 H ATOM 3304 OH2 TIP3 58 28.584 92.722 12.871 1.00 0.00 WT1 O ATOM 3305 H1 TIP3 58 27.749 92.256 12.890 1.00 0.00 WT1 H ATOM 3306 H2 TIP3 58 28.837 92.799 13.791 1.00 0.00 WT1 H ATOM 3307 OH2 TIP3 59 56.012 32.434 29.820 1.00 0.00 WT1 O ATOM 3308 H1 TIP3 59 56.299 31.700 29.277 1.00 0.00 WT1 H ATOM 3309 H2 TIP3 59 55.525 32.999 29.221 1.00 0.00 WT1 H ATOM 3310 OH2 TIP3 60 24.698 18.031 62.896 1.00 0.00 WT1 O ATOM 3311 H1 TIP3 60 23.816 18.338 63.104 1.00 0.00 WT1 H ATOM 3312 H2 TIP3 60 24.588 17.500 62.107 1.00 0.00 WT1 H ATOM 3313 OH2 TIP3 61 67.594 90.483 -13.817 1.00 0.00 WT1 O ATOM 3314 H1 TIP3 61 67.216 90.301 -12.957 1.00 0.00 WT1 H ATOM 3315 H2 TIP3 61 67.324 89.742 -14.359 1.00 0.00 WT1 H ATOM 3316 OH2 TIP3 62 73.807 11.523 -4.628 1.00 0.00 WT1 O ATOM 3317 H1 TIP3 62 74.475 11.254 -5.260 1.00 0.00 WT1 H ATOM 3318 H2 TIP3 62 73.798 12.479 -4.681 1.00 0.00 WT1 H ATOM 3319 OH2 TIP3 63 44.823 10.579 49.964 1.00 0.00 WT1 O ATOM 3320 H1 TIP3 63 44.911 10.082 49.150 1.00 0.00 WT1 H ATOM 3321 H2 TIP3 63 44.703 9.913 50.640 1.00 0.00 WT1 H ATOM 3322 OH2 TIP3 64 61.286 69.316 26.395 1.00 0.00 WT1 O ATOM 3323 H1 TIP3 64 60.882 69.100 27.236 1.00 0.00 WT1 H ATOM 3324 H2 TIP3 64 60.662 69.000 25.742 1.00 0.00 WT1 H ATOM 3325 OH2 TIP3 65 34.368 52.884 -11.744 1.00 0.00 WT1 O ATOM 3326 H1 TIP3 65 35.170 53.383 -11.901 1.00 0.00 WT1 H ATOM 3327 H2 TIP3 65 34.596 52.279 -11.038 1.00 0.00 WT1 H ATOM 3328 OH2 TIP3 66 69.007 27.232 -13.626 1.00 0.00 WT1 O ATOM 3329 H1 TIP3 66 68.078 27.237 -13.858 1.00 0.00 WT1 H ATOM 3330 H2 TIP3 66 69.200 28.140 -13.391 1.00 0.00 WT1 H ATOM 3331 OH2 TIP3 67 42.914 6.486 13.111 1.00 0.00 WT1 O ATOM 3332 H1 TIP3 67 42.214 6.971 13.547 1.00 0.00 WT1 H ATOM 3333 H2 TIP3 67 43.177 5.820 13.746 1.00 0.00 WT1 H ATOM 3334 OH2 TIP3 68 27.303 86.298 6.727 1.00 0.00 WT1 O ATOM 3335 H1 TIP3 68 26.781 87.099 6.693 1.00 0.00 WT1 H ATOM 3336 H2 TIP3 68 28.198 86.601 6.883 1.00 0.00 WT1 H ATOM 3337 OH2 TIP3 69 44.923 34.586 53.291 1.00 0.00 WT1 O ATOM 3338 H1 TIP3 69 45.497 35.186 53.768 1.00 0.00 WT1 H ATOM 3339 H2 TIP3 69 44.647 33.946 53.947 1.00 0.00 WT1 H ATOM 3340 OH2 TIP3 70 87.529 44.245 13.050 1.00 0.00 WT1 O ATOM 3341 H1 TIP3 70 87.068 44.975 12.637 1.00 0.00 WT1 H ATOM 3342 H2 TIP3 70 86.905 43.897 13.687 1.00 0.00 WT1 H ATOM 3343 OH2 TIP3 71 83.909 18.745 36.955 1.00 0.00 WT1 O ATOM 3344 H1 TIP3 71 84.378 19.364 37.515 1.00 0.00 WT1 H ATOM 3345 H2 TIP3 71 83.257 18.347 37.532 1.00 0.00 WT1 H ATOM 3346 OH2 TIP3 72 34.923 80.882 10.485 1.00 0.00 WT1 O ATOM 3347 H1 TIP3 72 34.847 79.954 10.707 1.00 0.00 WT1 H ATOM 3348 H2 TIP3 72 35.584 80.910 9.794 1.00 0.00 WT1 H ATOM 3349 OH2 TIP3 73 42.836 40.112 16.730 1.00 0.00 WT1 O ATOM 3350 H1 TIP3 73 43.774 40.135 16.916 1.00 0.00 WT1 H ATOM 3351 H2 TIP3 73 42.456 39.634 17.467 1.00 0.00 WT1 H ATOM 3352 OH2 TIP3 74 61.433 82.544 17.817 1.00 0.00 WT1 O ATOM 3353 H1 TIP3 74 61.615 83.441 17.536 1.00 0.00 WT1 H ATOM 3354 H2 TIP3 74 60.560 82.588 18.207 1.00 0.00 WT1 H ATOM 3355 OH2 TIP3 75 34.468 21.582 10.697 1.00 0.00 WT1 O ATOM 3356 H1 TIP3 75 34.223 20.669 10.848 1.00 0.00 WT1 H ATOM 3357 H2 TIP3 75 35.423 21.568 10.638 1.00 0.00 WT1 H ATOM 3358 OH2 TIP3 76 84.536 36.418 4.802 1.00 0.00 WT1 O ATOM 3359 H1 TIP3 76 84.419 36.842 5.653 1.00 0.00 WT1 H ATOM 3360 H2 TIP3 76 85.085 37.025 4.305 1.00 0.00 WT1 H ATOM 3361 OH2 TIP3 77 26.059 49.379 42.407 1.00 0.00 WT1 O ATOM 3362 H1 TIP3 77 25.769 50.251 42.672 1.00 0.00 WT1 H ATOM 3363 H2 TIP3 77 26.912 49.271 42.828 1.00 0.00 WT1 H ATOM 3364 OH2 TIP3 78 62.062 44.480 9.294 1.00 0.00 WT1 O ATOM 3365 H1 TIP3 78 61.638 44.900 10.042 1.00 0.00 WT1 H ATOM 3366 H2 TIP3 78 62.228 43.583 9.584 1.00 0.00 WT1 H ATOM 3367 OH2 TIP3 79 79.797 14.948 5.025 1.00 0.00 WT1 O ATOM 3368 H1 TIP3 79 80.270 14.684 5.814 1.00 0.00 WT1 H ATOM 3369 H2 TIP3 79 80.189 15.786 4.780 1.00 0.00 WT1 H ATOM 3370 OH2 TIP3 80 85.687 82.354 -6.047 1.00 0.00 WT1 O ATOM 3371 H1 TIP3 80 85.795 83.297 -6.168 1.00 0.00 WT1 H ATOM 3372 H2 TIP3 80 85.856 82.211 -5.115 1.00 0.00 WT1 H ATOM 3373 OH2 TIP3 81 78.395 27.128 36.663 1.00 0.00 WT1 O ATOM 3374 H1 TIP3 81 78.060 27.666 35.946 1.00 0.00 WT1 H ATOM 3375 H2 TIP3 81 78.383 26.235 36.320 1.00 0.00 WT1 H ATOM 3376 OH2 TIP3 82 76.450 53.381 55.711 1.00 0.00 WT1 O ATOM 3377 H1 TIP3 82 76.119 53.472 56.604 1.00 0.00 WT1 H ATOM 3378 H2 TIP3 82 76.064 54.118 55.236 1.00 0.00 WT1 H ATOM 3379 OH2 TIP3 83 55.560 10.620 49.662 1.00 0.00 WT1 O ATOM 3380 H1 TIP3 83 56.342 10.566 50.210 1.00 0.00 WT1 H ATOM 3381 H2 TIP3 83 55.074 11.368 50.010 1.00 0.00 WT1 H ATOM 3382 OH2 TIP3 84 27.776 10.886 39.874 1.00 0.00 WT1 O ATOM 3383 H1 TIP3 84 27.022 10.382 39.569 1.00 0.00 WT1 H ATOM 3384 H2 TIP3 84 27.587 11.786 39.609 1.00 0.00 WT1 H ATOM 3385 OH2 TIP3 85 38.860 82.751 56.016 1.00 0.00 WT1 O ATOM 3386 H1 TIP3 85 39.764 82.887 56.300 1.00 0.00 WT1 H ATOM 3387 H2 TIP3 85 38.656 83.521 55.486 1.00 0.00 WT1 H ATOM 3388 OH2 TIP3 86 73.934 58.252 49.947 1.00 0.00 WT1 O ATOM 3389 H1 TIP3 86 73.923 57.312 50.126 1.00 0.00 WT1 H ATOM 3390 H2 TIP3 86 73.087 58.566 50.264 1.00 0.00 WT1 H ATOM 3391 OH2 TIP3 87 81.606 16.078 -7.895 1.00 0.00 WT1 O ATOM 3392 H1 TIP3 87 80.824 15.533 -7.804 1.00 0.00 WT1 H ATOM 3393 H2 TIP3 87 82.016 16.056 -7.030 1.00 0.00 WT1 H ATOM 3394 OH2 TIP3 88 23.846 71.165 35.385 1.00 0.00 WT1 O ATOM 3395 H1 TIP3 88 24.178 72.050 35.234 1.00 0.00 WT1 H ATOM 3396 H2 TIP3 88 22.962 71.174 35.017 1.00 0.00 WT1 H ATOM 3397 OH2 TIP3 89 53.855 82.128 -16.649 1.00 0.00 WT1 O ATOM 3398 H1 TIP3 89 53.738 82.032 -15.703 1.00 0.00 WT1 H ATOM 3399 H2 TIP3 89 54.744 81.814 -16.813 1.00 0.00 WT1 H ATOM 3400 OH2 TIP3 90 76.955 7.989 -3.405 1.00 0.00 WT1 O ATOM 3401 H1 TIP3 90 76.579 8.864 -3.304 1.00 0.00 WT1 H ATOM 3402 H2 TIP3 90 76.719 7.532 -2.597 1.00 0.00 WT1 H ATOM 3403 OH2 TIP3 91 42.413 20.622 -7.857 1.00 0.00 WT1 O ATOM 3404 H1 TIP3 91 42.380 21.473 -8.295 1.00 0.00 WT1 H ATOM 3405 H2 TIP3 91 41.741 20.100 -8.297 1.00 0.00 WT1 H ATOM 3406 OH2 TIP3 92 81.391 40.697 12.070 1.00 0.00 WT1 O ATOM 3407 H1 TIP3 92 82.303 40.412 12.008 1.00 0.00 WT1 H ATOM 3408 H2 TIP3 92 81.054 40.619 11.177 1.00 0.00 WT1 H ATOM 3409 OH2 TIP3 93 43.783 90.950 47.643 1.00 0.00 WT1 O ATOM 3410 H1 TIP3 93 44.233 90.938 48.488 1.00 0.00 WT1 H ATOM 3411 H2 TIP3 93 44.298 91.551 47.105 1.00 0.00 WT1 H ATOM 3412 OH2 TIP3 94 83.254 45.463 28.774 1.00 0.00 WT1 O ATOM 3413 H1 TIP3 94 83.833 45.799 29.459 1.00 0.00 WT1 H ATOM 3414 H2 TIP3 94 82.496 46.047 28.793 1.00 0.00 WT1 H ATOM 3415 OH2 TIP3 95 41.883 72.072 58.054 1.00 0.00 WT1 O ATOM 3416 H1 TIP3 95 41.654 72.965 58.314 1.00 0.00 WT1 H ATOM 3417 H2 TIP3 95 41.485 71.964 57.190 1.00 0.00 WT1 H ATOM 3418 OH2 TIP3 96 49.910 57.308 -8.378 1.00 0.00 WT1 O ATOM 3419 H1 TIP3 96 50.228 56.732 -7.683 1.00 0.00 WT1 H ATOM 3420 H2 TIP3 96 49.789 56.731 -9.132 1.00 0.00 WT1 H ATOM 3421 OH2 TIP3 97 82.723 75.799 11.383 1.00 0.00 WT1 O ATOM 3422 H1 TIP3 97 83.310 76.276 11.971 1.00 0.00 WT1 H ATOM 3423 H2 TIP3 97 82.312 76.480 10.851 1.00 0.00 WT1 H ATOM 3424 OH2 TIP3 98 29.369 44.088 18.662 1.00 0.00 WT1 O ATOM 3425 H1 TIP3 98 29.788 44.782 19.170 1.00 0.00 WT1 H ATOM 3426 H2 TIP3 98 29.015 44.534 17.893 1.00 0.00 WT1 H ATOM 3427 OH2 TIP3 99 68.851 16.957 34.323 1.00 0.00 WT1 O ATOM 3428 H1 TIP3 99 69.006 17.313 33.448 1.00 0.00 WT1 H ATOM 3429 H2 TIP3 99 69.723 16.877 34.708 1.00 0.00 WT1 H ATOM 3430 OH2 TIP3 100 66.847 69.668 52.932 1.00 0.00 WT1 O ATOM 3431 H1 TIP3 100 66.980 70.365 53.576 1.00 0.00 WT1 H ATOM 3432 H2 TIP3 100 66.444 68.956 53.429 1.00 0.00 WT1 H ATOM 3433 OH2 TIP3 101 27.633 44.787 48.378 1.00 0.00 WT1 O ATOM 3434 H1 TIP3 101 27.890 43.936 48.025 1.00 0.00 WT1 H ATOM 3435 H2 TIP3 101 28.413 45.334 48.280 1.00 0.00 WT1 H ATOM 3436 OH2 TIP3 102 81.488 9.999 46.172 1.00 0.00 WT1 O ATOM 3437 H1 TIP3 102 80.845 9.365 46.489 1.00 0.00 WT1 H ATOM 3438 H2 TIP3 102 81.720 9.688 45.297 1.00 0.00 WT1 H ATOM 3439 OH2 TIP3 103 54.484 73.175 -17.574 1.00 0.00 WT1 O ATOM 3440 H1 TIP3 103 54.083 73.569 -16.799 1.00 0.00 WT1 H ATOM 3441 H2 TIP3 103 55.124 73.823 -17.869 1.00 0.00 WT1 H ATOM 3442 OH2 TIP3 104 28.694 78.258 42.149 1.00 0.00 WT1 O ATOM 3443 H1 TIP3 104 29.489 78.162 41.624 1.00 0.00 WT1 H ATOM 3444 H2 TIP3 104 28.301 79.075 41.841 1.00 0.00 WT1 H ATOM 3445 OH2 TIP3 105 56.705 13.648 9.171 1.00 0.00 WT1 O ATOM 3446 H1 TIP3 105 56.495 12.720 9.280 1.00 0.00 WT1 H ATOM 3447 H2 TIP3 105 56.008 13.988 8.610 1.00 0.00 WT1 H ATOM 3448 OH2 TIP3 106 72.499 10.148 65.980 1.00 0.00 WT1 O ATOM 3449 H1 TIP3 106 71.801 10.636 66.416 1.00 0.00 WT1 H ATOM 3450 H2 TIP3 106 73.303 10.602 66.233 1.00 0.00 WT1 H ATOM 3451 OH2 TIP3 107 26.073 19.961 -2.236 1.00 0.00 WT1 O ATOM 3452 H1 TIP3 107 26.864 19.811 -1.718 1.00 0.00 WT1 H ATOM 3453 H2 TIP3 107 25.380 20.085 -1.586 1.00 0.00 WT1 H ATOM 3454 OH2 TIP3 108 72.234 42.347 18.734 1.00 0.00 WT1 O ATOM 3455 H1 TIP3 108 71.756 42.840 18.068 1.00 0.00 WT1 H ATOM 3456 H2 TIP3 108 71.551 41.961 19.283 1.00 0.00 WT1 H ATOM 3457 OH2 TIP3 109 85.752 72.118 15.877 1.00 0.00 WT1 O ATOM 3458 H1 TIP3 109 84.987 71.699 15.482 1.00 0.00 WT1 H ATOM 3459 H2 TIP3 109 86.453 71.472 15.787 1.00 0.00 WT1 H ATOM 3460 OH2 TIP3 110 37.348 3.575 13.404 1.00 0.00 WT1 O ATOM 3461 H1 TIP3 110 36.865 4.078 14.060 1.00 0.00 WT1 H ATOM 3462 H2 TIP3 110 38.269 3.716 13.624 1.00 0.00 WT1 H ATOM 3463 OH2 TIP3 111 86.037 42.345 45.788 1.00 0.00 WT1 O ATOM 3464 H1 TIP3 111 85.101 42.512 45.683 1.00 0.00 WT1 H ATOM 3465 H2 TIP3 111 86.089 41.707 46.500 1.00 0.00 WT1 H ATOM 3466 OH2 TIP3 112 29.809 42.280 8.091 1.00 0.00 WT1 O ATOM 3467 H1 TIP3 112 29.605 41.480 7.607 1.00 0.00 WT1 H ATOM 3468 H2 TIP3 112 30.710 42.487 7.844 1.00 0.00 WT1 H ATOM 3469 OH2 TIP3 113 77.929 52.388 21.260 1.00 0.00 WT1 O ATOM 3470 H1 TIP3 113 77.500 51.560 21.476 1.00 0.00 WT1 H ATOM 3471 H2 TIP3 113 77.349 53.060 21.617 1.00 0.00 WT1 H ATOM 3472 OH2 TIP3 114 90.323 40.089 36.364 1.00 0.00 WT1 O ATOM 3473 H1 TIP3 114 90.350 40.807 35.732 1.00 0.00 WT1 H ATOM 3474 H2 TIP3 114 90.023 39.334 35.858 1.00 0.00 WT1 H ATOM 3475 OH2 TIP3 115 59.630 9.192 6.412 1.00 0.00 WT1 O ATOM 3476 H1 TIP3 115 59.616 10.081 6.057 1.00 0.00 WT1 H ATOM 3477 H2 TIP3 115 58.887 9.161 7.014 1.00 0.00 WT1 H ATOM 3478 OH2 TIP3 116 71.564 86.700 -15.921 1.00 0.00 WT1 O ATOM 3479 H1 TIP3 116 71.165 85.965 -15.456 1.00 0.00 WT1 H ATOM 3480 H2 TIP3 116 71.612 87.398 -15.269 1.00 0.00 WT1 H ATOM 3481 OH2 TIP3 117 78.238 45.291 3.326 1.00 0.00 WT1 O ATOM 3482 H1 TIP3 117 78.785 46.048 3.116 1.00 0.00 WT1 H ATOM 3483 H2 TIP3 117 77.602 45.622 3.959 1.00 0.00 WT1 H ATOM 3484 OH2 TIP3 118 45.505 36.211 -2.395 1.00 0.00 WT1 O ATOM 3485 H1 TIP3 118 44.999 36.400 -1.604 1.00 0.00 WT1 H ATOM 3486 H2 TIP3 118 46.204 35.629 -2.099 1.00 0.00 WT1 H ATOM 3487 OH2 TIP3 119 77.840 58.838 30.282 1.00 0.00 WT1 O ATOM 3488 H1 TIP3 119 78.298 58.540 29.496 1.00 0.00 WT1 H ATOM 3489 H2 TIP3 119 77.558 59.728 30.072 1.00 0.00 WT1 H ATOM 3490 OH2 TIP3 120 65.929 52.653 -0.366 1.00 0.00 WT1 O ATOM 3491 H1 TIP3 120 65.798 53.601 -0.392 1.00 0.00 WT1 H ATOM 3492 H2 TIP3 120 65.482 52.327 -1.147 1.00 0.00 WT1 H ATOM 3493 OH2 TIP3 121 87.875 60.070 32.511 1.00 0.00 WT1 O ATOM 3494 H1 TIP3 121 87.406 60.880 32.309 1.00 0.00 WT1 H ATOM 3495 H2 TIP3 121 87.216 59.505 32.914 1.00 0.00 WT1 H ATOM 3496 OH2 TIP3 122 34.713 4.938 45.397 1.00 0.00 WT1 O ATOM 3497 H1 TIP3 122 34.286 4.213 44.941 1.00 0.00 WT1 H ATOM 3498 H2 TIP3 122 34.282 5.723 45.058 1.00 0.00 WT1 H ATOM 3499 OH2 TIP3 123 76.571 69.382 20.319 1.00 0.00 WT1 O ATOM 3500 H1 TIP3 123 76.179 68.593 19.944 1.00 0.00 WT1 H ATOM 3501 H2 TIP3 123 76.845 69.897 19.560 1.00 0.00 WT1 H ATOM 3502 OH2 TIP3 124 24.690 37.258 40.301 1.00 0.00 WT1 O ATOM 3503 H1 TIP3 124 25.295 36.651 39.875 1.00 0.00 WT1 H ATOM 3504 H2 TIP3 124 24.834 38.093 39.855 1.00 0.00 WT1 H ATOM 3505 OH2 TIP3 125 78.531 18.773 2.777 1.00 0.00 WT1 O ATOM 3506 H1 TIP3 125 77.703 18.803 2.297 1.00 0.00 WT1 H ATOM 3507 H2 TIP3 125 78.573 19.613 3.235 1.00 0.00 WT1 H ATOM 3508 OH2 TIP3 126 56.459 2.201 18.890 1.00 0.00 WT1 O ATOM 3509 H1 TIP3 126 56.569 3.020 19.374 1.00 0.00 WT1 H ATOM 3510 H2 TIP3 126 56.859 1.536 19.451 1.00 0.00 WT1 H ATOM 3511 OH2 TIP3 127 74.859 14.591 57.860 1.00 0.00 WT1 O ATOM 3512 H1 TIP3 127 75.498 14.077 57.366 1.00 0.00 WT1 H ATOM 3513 H2 TIP3 127 74.022 14.157 57.696 1.00 0.00 WT1 H ATOM 3514 OH2 TIP3 128 76.870 4.027 39.233 1.00 0.00 WT1 O ATOM 3515 H1 TIP3 128 77.580 3.967 38.594 1.00 0.00 WT1 H ATOM 3516 H2 TIP3 128 76.200 3.426 38.905 1.00 0.00 WT1 H ATOM 3517 OH2 TIP3 129 27.363 35.962 -1.567 1.00 0.00 WT1 O ATOM 3518 H1 TIP3 129 27.152 35.368 -2.287 1.00 0.00 WT1 H ATOM 3519 H2 TIP3 129 27.886 36.654 -1.972 1.00 0.00 WT1 H ATOM 3520 OH2 TIP3 130 23.378 36.301 23.266 1.00 0.00 WT1 O ATOM 3521 H1 TIP3 130 24.136 36.725 23.668 1.00 0.00 WT1 H ATOM 3522 H2 TIP3 130 22.627 36.640 23.753 1.00 0.00 WT1 H ATOM 3523 OH2 TIP3 131 47.111 54.252 0.705 1.00 0.00 WT1 O ATOM 3524 H1 TIP3 131 47.294 55.152 0.434 1.00 0.00 WT1 H ATOM 3525 H2 TIP3 131 47.596 54.144 1.522 1.00 0.00 WT1 H ATOM 3526 OH2 TIP3 132 89.340 54.093 4.192 1.00 0.00 WT1 O ATOM 3527 H1 TIP3 132 88.444 54.423 4.115 1.00 0.00 WT1 H ATOM 3528 H2 TIP3 132 89.755 54.673 4.831 1.00 0.00 WT1 H ATOM 3529 OH2 TIP3 133 60.508 28.434 61.604 1.00 0.00 WT1 O ATOM 3530 H1 TIP3 133 60.598 29.263 61.134 1.00 0.00 WT1 H ATOM 3531 H2 TIP3 133 61.368 28.287 61.998 1.00 0.00 WT1 H ATOM 3532 OH2 TIP3 134 28.055 2.234 38.293 1.00 0.00 WT1 O ATOM 3533 H1 TIP3 134 27.229 1.878 37.965 1.00 0.00 WT1 H ATOM 3534 H2 TIP3 134 28.061 2.006 39.223 1.00 0.00 WT1 H ATOM 3535 OH2 TIP3 135 71.350 42.908 33.731 1.00 0.00 WT1 O ATOM 3536 H1 TIP3 135 71.696 42.970 32.841 1.00 0.00 WT1 H ATOM 3537 H2 TIP3 135 70.707 43.615 33.789 1.00 0.00 WT1 H ATOM 3538 OH2 TIP3 136 48.408 22.009 -17.477 1.00 0.00 WT1 O ATOM 3539 H1 TIP3 136 49.330 22.256 -17.398 1.00 0.00 WT1 H ATOM 3540 H2 TIP3 136 48.403 21.060 -17.350 1.00 0.00 WT1 H ATOM 3541 OH2 TIP3 137 42.851 20.444 3.194 1.00 0.00 WT1 O ATOM 3542 H1 TIP3 137 43.029 20.118 4.076 1.00 0.00 WT1 H ATOM 3543 H2 TIP3 137 42.082 19.953 2.907 1.00 0.00 WT1 H ATOM 3544 OH2 TIP3 138 25.659 35.043 42.021 1.00 0.00 WT1 O ATOM 3545 H1 TIP3 138 25.197 35.772 41.607 1.00 0.00 WT1 H ATOM 3546 H2 TIP3 138 25.007 34.344 42.071 1.00 0.00 WT1 H ATOM 3547 OH2 TIP3 139 83.501 31.523 37.945 1.00 0.00 WT1 O ATOM 3548 H1 TIP3 139 83.960 31.958 38.665 1.00 0.00 WT1 H ATOM 3549 H2 TIP3 139 84.132 30.886 37.609 1.00 0.00 WT1 H ATOM 3550 OH2 TIP3 140 63.003 24.239 41.016 1.00 0.00 WT1 O ATOM 3551 H1 TIP3 140 62.301 23.946 40.435 1.00 0.00 WT1 H ATOM 3552 H2 TIP3 140 63.597 23.491 41.071 1.00 0.00 WT1 H ATOM 3553 OH2 TIP3 141 75.716 82.213 57.507 1.00 0.00 WT1 O ATOM 3554 H1 TIP3 141 76.490 81.712 57.248 1.00 0.00 WT1 H ATOM 3555 H2 TIP3 141 75.424 82.637 56.700 1.00 0.00 WT1 H ATOM 3556 OH2 TIP3 142 73.045 55.027 32.696 1.00 0.00 WT1 O ATOM 3557 H1 TIP3 142 72.422 55.633 33.096 1.00 0.00 WT1 H ATOM 3558 H2 TIP3 142 72.500 54.403 32.216 1.00 0.00 WT1 H ATOM 3559 OH2 TIP3 143 66.071 88.918 0.349 1.00 0.00 WT1 O ATOM 3560 H1 TIP3 143 65.762 88.242 0.952 1.00 0.00 WT1 H ATOM 3561 H2 TIP3 143 66.953 88.638 0.104 1.00 0.00 WT1 H ATOM 3562 OH2 TIP3 144 41.503 59.882 -12.544 1.00 0.00 WT1 O ATOM 3563 H1 TIP3 144 41.840 59.061 -12.185 1.00 0.00 WT1 H ATOM 3564 H2 TIP3 144 41.146 60.346 -11.787 1.00 0.00 WT1 H ATOM 3565 OH2 TIP3 145 89.904 85.095 7.265 1.00 0.00 WT1 O ATOM 3566 H1 TIP3 145 90.346 84.273 7.482 1.00 0.00 WT1 H ATOM 3567 H2 TIP3 145 88.982 84.854 7.175 1.00 0.00 WT1 H ATOM 3568 OH2 TIP3 146 88.962 62.273 23.332 1.00 0.00 WT1 O ATOM 3569 H1 TIP3 146 89.033 62.381 22.383 1.00 0.00 WT1 H ATOM 3570 H2 TIP3 146 88.524 61.430 23.445 1.00 0.00 WT1 H ATOM 3571 OH2 TIP3 147 75.697 13.458 -0.353 1.00 0.00 WT1 O ATOM 3572 H1 TIP3 147 75.044 13.444 0.347 1.00 0.00 WT1 H ATOM 3573 H2 TIP3 147 75.565 14.300 -0.788 1.00 0.00 WT1 H ATOM 3574 OH2 TIP3 148 71.558 28.415 49.184 1.00 0.00 WT1 O ATOM 3575 H1 TIP3 148 71.510 27.735 48.512 1.00 0.00 WT1 H ATOM 3576 H2 TIP3 148 71.214 27.997 49.973 1.00 0.00 WT1 H ATOM 3577 OH2 TIP3 149 46.956 30.398 49.828 1.00 0.00 WT1 O ATOM 3578 H1 TIP3 149 46.020 30.217 49.742 1.00 0.00 WT1 H ATOM 3579 H2 TIP3 149 47.023 30.950 50.607 1.00 0.00 WT1 H ATOM 3580 OH2 TIP3 150 34.952 25.659 -11.788 1.00 0.00 WT1 O ATOM 3581 H1 TIP3 150 34.039 25.789 -12.043 1.00 0.00 WT1 H ATOM 3582 H2 TIP3 150 35.449 26.229 -12.374 1.00 0.00 WT1 H ATOM 3583 OH2 TIP3 151 37.421 31.449 62.475 1.00 0.00 WT1 O ATOM 3584 H1 TIP3 151 37.010 30.622 62.222 1.00 0.00 WT1 H ATOM 3585 H2 TIP3 151 37.326 31.483 63.427 1.00 0.00 WT1 H ATOM 3586 OH2 TIP3 152 34.209 25.265 -6.035 1.00 0.00 WT1 O ATOM 3587 H1 TIP3 152 34.508 24.433 -6.404 1.00 0.00 WT1 H ATOM 3588 H2 TIP3 152 34.795 25.424 -5.296 1.00 0.00 WT1 H ATOM 3589 OH2 TIP3 153 57.370 11.853 26.960 1.00 0.00 WT1 O ATOM 3590 H1 TIP3 153 58.000 12.569 27.036 1.00 0.00 WT1 H ATOM 3591 H2 TIP3 153 56.883 11.874 27.783 1.00 0.00 WT1 H ATOM 3592 OH2 TIP3 154 86.050 49.745 65.469 1.00 0.00 WT1 O ATOM 3593 H1 TIP3 154 85.953 49.007 64.867 1.00 0.00 WT1 H ATOM 3594 H2 TIP3 154 86.108 50.513 64.900 1.00 0.00 WT1 H ATOM 3595 OH2 TIP3 155 54.284 53.202 -2.258 1.00 0.00 WT1 O ATOM 3596 H1 TIP3 155 53.333 53.121 -2.181 1.00 0.00 WT1 H ATOM 3597 H2 TIP3 155 54.557 53.619 -1.441 1.00 0.00 WT1 H ATOM 3598 OH2 TIP3 156 48.671 59.562 6.280 1.00 0.00 WT1 O ATOM 3599 H1 TIP3 156 49.401 59.158 6.749 1.00 0.00 WT1 H ATOM 3600 H2 TIP3 156 49.025 59.769 5.416 1.00 0.00 WT1 H ATOM 3601 OH2 TIP3 157 60.045 52.860 -19.760 1.00 0.00 WT1 O ATOM 3602 H1 TIP3 157 59.440 52.208 -20.114 1.00 0.00 WT1 H ATOM 3603 H2 TIP3 157 59.724 53.029 -18.874 1.00 0.00 WT1 H ATOM 3604 OH2 TIP3 158 79.267 4.463 -0.532 1.00 0.00 WT1 O ATOM 3605 H1 TIP3 158 78.600 4.933 -0.031 1.00 0.00 WT1 H ATOM 3606 H2 TIP3 158 78.973 3.553 -0.530 1.00 0.00 WT1 H ATOM 3607 OH2 TIP3 159 59.790 27.712 36.989 1.00 0.00 WT1 O ATOM 3608 H1 TIP3 159 60.661 27.340 37.127 1.00 0.00 WT1 H ATOM 3609 H2 TIP3 159 59.624 27.594 36.054 1.00 0.00 WT1 H ATOM 3610 OH2 TIP3 160 31.775 34.991 -12.327 1.00 0.00 WT1 O ATOM 3611 H1 TIP3 160 31.769 34.400 -11.575 1.00 0.00 WT1 H ATOM 3612 H2 TIP3 160 32.365 35.700 -12.070 1.00 0.00 WT1 H ATOM 3613 OH2 TIP3 161 73.454 11.036 52.823 1.00 0.00 WT1 O ATOM 3614 H1 TIP3 161 73.738 10.165 53.100 1.00 0.00 WT1 H ATOM 3615 H2 TIP3 161 73.943 11.204 52.017 1.00 0.00 WT1 H ATOM 3616 OH2 TIP3 162 51.747 30.671 39.198 1.00 0.00 WT1 O ATOM 3617 H1 TIP3 162 51.098 30.124 38.756 1.00 0.00 WT1 H ATOM 3618 H2 TIP3 162 52.577 30.446 38.779 1.00 0.00 WT1 H ATOM 3619 OH2 TIP3 163 40.322 55.790 16.384 1.00 0.00 WT1 O ATOM 3620 H1 TIP3 163 39.720 55.583 17.099 1.00 0.00 WT1 H ATOM 3621 H2 TIP3 163 40.894 56.469 16.741 1.00 0.00 WT1 H ATOM 3622 OH2 TIP3 164 53.486 32.716 53.052 1.00 0.00 WT1 O ATOM 3623 H1 TIP3 164 53.386 31.805 52.776 1.00 0.00 WT1 H ATOM 3624 H2 TIP3 164 52.824 33.193 52.551 1.00 0.00 WT1 H ATOM 3625 OH2 TIP3 165 34.042 16.407 64.297 1.00 0.00 WT1 O ATOM 3626 H1 TIP3 165 34.063 17.217 64.806 1.00 0.00 WT1 H ATOM 3627 H2 TIP3 165 34.961 16.155 64.209 1.00 0.00 WT1 H ATOM 3628 OH2 TIP3 166 50.122 46.809 8.986 1.00 0.00 WT1 O ATOM 3629 H1 TIP3 166 49.677 46.349 9.697 1.00 0.00 WT1 H ATOM 3630 H2 TIP3 166 51.051 46.619 9.121 1.00 0.00 WT1 H ATOM 3631 OH2 TIP3 167 84.146 46.012 -19.313 1.00 0.00 WT1 O ATOM 3632 H1 TIP3 167 84.443 46.883 -19.048 1.00 0.00 WT1 H ATOM 3633 H2 TIP3 167 83.543 46.175 -20.039 1.00 0.00 WT1 H ATOM 3634 OH2 TIP3 168 56.990 60.062 61.050 1.00 0.00 WT1 O ATOM 3635 H1 TIP3 168 57.165 59.321 60.469 1.00 0.00 WT1 H ATOM 3636 H2 TIP3 168 56.240 59.783 61.575 1.00 0.00 WT1 H ATOM 3637 OH2 TIP3 169 66.035 13.200 30.713 1.00 0.00 WT1 O ATOM 3638 H1 TIP3 169 66.039 13.123 31.667 1.00 0.00 WT1 H ATOM 3639 H2 TIP3 169 66.055 14.143 30.549 1.00 0.00 WT1 H ATOM 3640 OH2 TIP3 170 39.339 74.243 23.173 1.00 0.00 WT1 O ATOM 3641 H1 TIP3 170 39.480 73.413 23.628 1.00 0.00 WT1 H ATOM 3642 H2 TIP3 170 40.067 74.305 22.555 1.00 0.00 WT1 H ATOM 3643 OH2 TIP3 171 70.728 61.884 20.568 1.00 0.00 WT1 O ATOM 3644 H1 TIP3 171 70.303 61.115 20.948 1.00 0.00 WT1 H ATOM 3645 H2 TIP3 171 71.567 61.944 21.023 1.00 0.00 WT1 H ATOM 3646 OH2 TIP3 172 23.346 41.076 46.907 1.00 0.00 WT1 O ATOM 3647 H1 TIP3 172 23.250 42.018 47.041 1.00 0.00 WT1 H ATOM 3648 H2 TIP3 172 23.440 40.976 45.959 1.00 0.00 WT1 H ATOM 3649 OH2 TIP3 173 62.059 32.550 16.380 1.00 0.00 WT1 O ATOM 3650 H1 TIP3 173 61.530 31.878 15.950 1.00 0.00 WT1 H ATOM 3651 H2 TIP3 173 61.645 33.377 16.132 1.00 0.00 WT1 H ATOM 3652 OH2 TIP3 174 73.652 46.915 66.035 1.00 0.00 WT1 O ATOM 3653 H1 TIP3 174 74.595 46.800 65.921 1.00 0.00 WT1 H ATOM 3654 H2 TIP3 174 73.437 47.681 65.501 1.00 0.00 WT1 H ATOM 3655 OH2 TIP3 176 20.794 51.464 11.348 1.00 0.00 WT1 O ATOM 3656 H1 TIP3 176 21.287 50.644 11.384 1.00 0.00 WT1 H ATOM 3657 H2 TIP3 176 20.963 51.882 12.192 1.00 0.00 WT1 H ATOM 3658 OH2 TIP3 177 86.024 86.302 39.232 1.00 0.00 WT1 O ATOM 3659 H1 TIP3 177 85.981 85.357 39.089 1.00 0.00 WT1 H ATOM 3660 H2 TIP3 177 86.034 86.678 38.352 1.00 0.00 WT1 H ATOM 3661 OH2 TIP3 178 20.813 37.063 0.853 1.00 0.00 WT1 O ATOM 3662 H1 TIP3 178 21.402 37.687 1.276 1.00 0.00 WT1 H ATOM 3663 H2 TIP3 178 20.453 36.546 1.573 1.00 0.00 WT1 H ATOM 3664 OH2 TIP3 179 36.508 36.463 26.493 1.00 0.00 WT1 O ATOM 3665 H1 TIP3 179 37.374 36.144 26.748 1.00 0.00 WT1 H ATOM 3666 H2 TIP3 179 36.644 37.386 26.281 1.00 0.00 WT1 H ATOM 3667 OH2 TIP3 180 39.852 27.420 -1.001 1.00 0.00 WT1 O ATOM 3668 H1 TIP3 180 40.005 26.514 -0.732 1.00 0.00 WT1 H ATOM 3669 H2 TIP3 180 39.303 27.787 -0.308 1.00 0.00 WT1 H ATOM 3670 OH2 TIP3 181 31.601 19.312 50.709 1.00 0.00 WT1 O ATOM 3671 H1 TIP3 181 32.113 18.530 50.915 1.00 0.00 WT1 H ATOM 3672 H2 TIP3 181 31.676 19.405 49.759 1.00 0.00 WT1 H ATOM 3673 OH2 TIP3 182 40.941 42.217 -13.087 1.00 0.00 WT1 O ATOM 3674 H1 TIP3 182 40.823 43.164 -13.018 1.00 0.00 WT1 H ATOM 3675 H2 TIP3 182 41.148 41.936 -12.195 1.00 0.00 WT1 H ATOM 3676 OH2 TIP3 183 41.628 86.947 25.450 1.00 0.00 WT1 O ATOM 3677 H1 TIP3 183 41.057 86.769 24.702 1.00 0.00 WT1 H ATOM 3678 H2 TIP3 183 42.513 86.924 25.086 1.00 0.00 WT1 H ATOM 3679 OH2 TIP3 184 35.395 51.961 -1.363 1.00 0.00 WT1 O ATOM 3680 H1 TIP3 184 36.334 51.891 -1.193 1.00 0.00 WT1 H ATOM 3681 H2 TIP3 184 35.333 52.111 -2.307 1.00 0.00 WT1 H ATOM 3682 OH2 TIP3 185 41.607 10.743 -7.415 1.00 0.00 WT1 O ATOM 3683 H1 TIP3 185 42.303 10.121 -7.627 1.00 0.00 WT1 H ATOM 3684 H2 TIP3 185 41.485 10.655 -6.470 1.00 0.00 WT1 H ATOM 3685 OH2 TIP3 186 72.193 21.540 52.629 1.00 0.00 WT1 O ATOM 3686 H1 TIP3 186 72.253 21.348 51.693 1.00 0.00 WT1 H ATOM 3687 H2 TIP3 186 72.242 20.683 53.053 1.00 0.00 WT1 H ATOM 3688 OH2 TIP3 187 53.865 32.993 44.648 1.00 0.00 WT1 O ATOM 3689 H1 TIP3 187 54.259 32.150 44.872 1.00 0.00 WT1 H ATOM 3690 H2 TIP3 187 54.096 33.130 43.729 1.00 0.00 WT1 H ATOM 3691 OH2 TIP3 188 35.094 0.778 62.279 1.00 0.00 WT1 O ATOM 3692 H1 TIP3 188 35.439 1.645 62.491 1.00 0.00 WT1 H ATOM 3693 H2 TIP3 188 35.771 0.171 62.580 1.00 0.00 WT1 H ATOM 3694 OH2 TIP3 190 27.780 3.993 -0.670 1.00 0.00 WT1 O ATOM 3695 H1 TIP3 190 28.437 3.494 -0.183 1.00 0.00 WT1 H ATOM 3696 H2 TIP3 190 27.146 4.266 -0.007 1.00 0.00 WT1 H ATOM 3697 OH2 TIP3 191 65.171 19.788 -0.863 1.00 0.00 WT1 O ATOM 3698 H1 TIP3 191 64.231 19.635 -0.957 1.00 0.00 WT1 H ATOM 3699 H2 TIP3 191 65.536 19.574 -1.721 1.00 0.00 WT1 H ATOM 3700 OH2 TIP3 192 26.914 59.796 16.491 1.00 0.00 WT1 O ATOM 3701 H1 TIP3 192 27.045 59.708 17.435 1.00 0.00 WT1 H ATOM 3702 H2 TIP3 192 27.774 59.616 16.112 1.00 0.00 WT1 H ATOM 3703 OH2 TIP3 193 27.801 11.358 44.691 1.00 0.00 WT1 O ATOM 3704 H1 TIP3 193 27.169 10.653 44.832 1.00 0.00 WT1 H ATOM 3705 H2 TIP3 193 28.272 11.103 43.898 1.00 0.00 WT1 H ATOM 3706 OH2 TIP3 195 86.524 38.365 11.661 1.00 0.00 WT1 O ATOM 3707 H1 TIP3 195 87.065 39.120 11.432 1.00 0.00 WT1 H ATOM 3708 H2 TIP3 195 86.714 37.718 10.982 1.00 0.00 WT1 H ATOM 3709 OH2 TIP3 196 72.659 62.050 63.843 1.00 0.00 WT1 O ATOM 3710 H1 TIP3 196 73.180 61.809 64.608 1.00 0.00 WT1 H ATOM 3711 H2 TIP3 196 71.813 61.624 63.985 1.00 0.00 WT1 H ATOM 3712 OH2 TIP3 198 68.395 96.497 10.649 1.00 0.00 WT1 O ATOM 3713 H1 TIP3 198 67.829 96.281 9.908 1.00 0.00 WT1 H ATOM 3714 H2 TIP3 198 68.524 95.664 11.103 1.00 0.00 WT1 H ATOM 3715 OH2 TIP3 199 64.875 40.678 0.621 1.00 0.00 WT1 O ATOM 3716 H1 TIP3 199 64.641 40.475 -0.284 1.00 0.00 WT1 H ATOM 3717 H2 TIP3 199 64.454 39.990 1.138 1.00 0.00 WT1 H ATOM 3718 OH2 TIP3 200 51.815 16.187 15.724 1.00 0.00 WT1 O ATOM 3719 H1 TIP3 200 51.358 17.022 15.619 1.00 0.00 WT1 H ATOM 3720 H2 TIP3 200 52.418 16.334 16.453 1.00 0.00 WT1 H ATOM 3721 OH2 TIP3 201 79.296 49.940 -13.429 1.00 0.00 WT1 O ATOM 3722 H1 TIP3 201 79.233 50.101 -12.487 1.00 0.00 WT1 H ATOM 3723 H2 TIP3 201 79.379 48.990 -13.504 1.00 0.00 WT1 H ATOM 3724 OH2 TIP3 202 21.793 42.635 65.356 1.00 0.00 WT1 O ATOM 3725 H1 TIP3 202 21.310 41.826 65.526 1.00 0.00 WT1 H ATOM 3726 H2 TIP3 202 21.131 43.325 65.406 1.00 0.00 WT1 H ATOM 3727 OH2 TIP3 203 55.853 43.589 -18.648 1.00 0.00 WT1 O ATOM 3728 H1 TIP3 203 56.492 44.276 -18.460 1.00 0.00 WT1 H ATOM 3729 H2 TIP3 203 56.198 43.145 -19.423 1.00 0.00 WT1 H ATOM 3730 OH2 TIP3 204 56.735 84.405 -11.182 1.00 0.00 WT1 O ATOM 3731 H1 TIP3 204 56.393 83.526 -11.019 1.00 0.00 WT1 H ATOM 3732 H2 TIP3 204 57.331 84.297 -11.924 1.00 0.00 WT1 H ATOM 3733 OH2 TIP3 205 70.031 51.170 37.029 1.00 0.00 WT1 O ATOM 3734 H1 TIP3 205 69.187 50.724 36.957 1.00 0.00 WT1 H ATOM 3735 H2 TIP3 205 69.807 52.071 37.262 1.00 0.00 WT1 H ATOM 3736 OH2 TIP3 206 35.169 53.248 1.077 1.00 0.00 WT1 O ATOM 3737 H1 TIP3 206 36.051 53.619 1.072 1.00 0.00 WT1 H ATOM 3738 H2 TIP3 206 35.147 52.672 0.313 1.00 0.00 WT1 H ATOM 3739 OH2 TIP3 207 56.078 21.389 23.423 1.00 0.00 WT1 O ATOM 3740 H1 TIP3 207 55.762 21.413 22.520 1.00 0.00 WT1 H ATOM 3741 H2 TIP3 207 55.434 21.898 23.916 1.00 0.00 WT1 H ATOM 3742 OH2 TIP3 208 41.393 43.220 11.310 1.00 0.00 WT1 O ATOM 3743 H1 TIP3 208 42.235 43.672 11.366 1.00 0.00 WT1 H ATOM 3744 H2 TIP3 208 41.379 42.643 12.074 1.00 0.00 WT1 H ATOM 3745 OH2 TIP3 209 84.181 16.368 47.716 1.00 0.00 WT1 O ATOM 3746 H1 TIP3 209 83.734 15.522 47.672 1.00 0.00 WT1 H ATOM 3747 H2 TIP3 209 83.478 17.014 47.648 1.00 0.00 WT1 H ATOM 3748 OH2 TIP3 210 89.991 48.690 33.919 1.00 0.00 WT1 O ATOM 3749 H1 TIP3 210 89.825 48.636 32.978 1.00 0.00 WT1 H ATOM 3750 H2 TIP3 210 89.399 48.044 34.305 1.00 0.00 WT1 H ATOM 3751 OH2 TIP3 211 72.259 6.062 66.278 1.00 0.00 WT1 O ATOM 3752 H1 TIP3 211 73.151 5.856 66.557 1.00 0.00 WT1 H ATOM 3753 H2 TIP3 211 71.912 5.231 65.954 1.00 0.00 WT1 H ATOM 3754 OH2 TIP3 212 66.024 21.117 38.057 1.00 0.00 WT1 O ATOM 3755 H1 TIP3 212 65.858 21.738 37.347 1.00 0.00 WT1 H ATOM 3756 H2 TIP3 212 65.830 21.608 38.855 1.00 0.00 WT1 H ATOM 3757 OH2 TIP3 213 71.958 48.840 43.533 1.00 0.00 WT1 O ATOM 3758 H1 TIP3 213 72.288 48.654 44.412 1.00 0.00 WT1 H ATOM 3759 H2 TIP3 213 71.006 48.831 43.628 1.00 0.00 WT1 H ATOM 3760 OH2 TIP3 214 52.110 84.276 22.048 1.00 0.00 WT1 O ATOM 3761 H1 TIP3 214 51.817 83.471 22.475 1.00 0.00 WT1 H ATOM 3762 H2 TIP3 214 51.756 84.219 21.161 1.00 0.00 WT1 H ATOM 3763 OH2 TIP3 215 83.469 41.943 16.239 1.00 0.00 WT1 O ATOM 3764 H1 TIP3 215 83.590 42.585 16.939 1.00 0.00 WT1 H ATOM 3765 H2 TIP3 215 82.644 41.507 16.453 1.00 0.00 WT1 H ATOM 3766 OH2 TIP3 216 53.361 70.481 40.608 1.00 0.00 WT1 O ATOM 3767 H1 TIP3 216 53.081 69.649 40.225 1.00 0.00 WT1 H ATOM 3768 H2 TIP3 216 52.914 70.518 41.454 1.00 0.00 WT1 H ATOM 3769 OH2 TIP3 217 82.471 13.667 53.146 1.00 0.00 WT1 O ATOM 3770 H1 TIP3 217 83.395 13.417 53.131 1.00 0.00 WT1 H ATOM 3771 H2 TIP3 217 82.155 13.367 53.998 1.00 0.00 WT1 H ATOM 3772 OH2 TIP3 219 48.204 32.144 13.878 1.00 0.00 WT1 O ATOM 3773 H1 TIP3 219 48.287 32.264 14.824 1.00 0.00 WT1 H ATOM 3774 H2 TIP3 219 47.400 32.609 13.647 1.00 0.00 WT1 H ATOM 3775 OH2 TIP3 220 81.295 30.968 -1.017 1.00 0.00 WT1 O ATOM 3776 H1 TIP3 220 81.544 30.742 -0.121 1.00 0.00 WT1 H ATOM 3777 H2 TIP3 220 80.575 31.591 -0.916 1.00 0.00 WT1 H ATOM 3778 OH2 TIP3 221 66.033 28.703 50.056 1.00 0.00 WT1 O ATOM 3779 H1 TIP3 221 65.984 29.027 50.955 1.00 0.00 WT1 H ATOM 3780 H2 TIP3 221 65.683 29.418 49.523 1.00 0.00 WT1 H ATOM 3781 OH2 TIP3 222 38.969 33.340 -9.802 1.00 0.00 WT1 O ATOM 3782 H1 TIP3 222 39.300 34.237 -9.758 1.00 0.00 WT1 H ATOM 3783 H2 TIP3 222 38.710 33.225 -10.716 1.00 0.00 WT1 H ATOM 3784 OH2 TIP3 223 22.768 82.043 55.131 1.00 0.00 WT1 O ATOM 3785 H1 TIP3 223 22.670 82.594 55.907 1.00 0.00 WT1 H ATOM 3786 H2 TIP3 223 21.997 82.238 54.598 1.00 0.00 WT1 H ATOM 3787 OH2 TIP3 224 22.211 30.413 8.748 1.00 0.00 WT1 O ATOM 3788 H1 TIP3 224 22.938 30.571 9.350 1.00 0.00 WT1 H ATOM 3789 H2 TIP3 224 21.444 30.762 9.202 1.00 0.00 WT1 H ATOM 3790 OH2 TIP3 225 74.510 88.392 49.729 1.00 0.00 WT1 O ATOM 3791 H1 TIP3 225 75.446 88.542 49.864 1.00 0.00 WT1 H ATOM 3792 H2 TIP3 225 74.410 88.338 48.779 1.00 0.00 WT1 H ATOM 3793 OH2 TIP3 226 45.972 26.208 49.058 1.00 0.00 WT1 O ATOM 3794 H1 TIP3 226 45.870 26.627 49.913 1.00 0.00 WT1 H ATOM 3795 H2 TIP3 226 46.736 26.636 48.671 1.00 0.00 WT1 H ATOM 3796 OH2 TIP3 227 25.761 47.643 -10.045 1.00 0.00 WT1 O ATOM 3797 H1 TIP3 227 25.736 48.491 -10.488 1.00 0.00 WT1 H ATOM 3798 H2 TIP3 227 25.264 47.059 -10.618 1.00 0.00 WT1 H ATOM 3799 OH2 TIP3 228 89.335 20.485 -9.592 1.00 0.00 WT1 O ATOM 3800 H1 TIP3 228 89.274 20.028 -8.753 1.00 0.00 WT1 H ATOM 3801 H2 TIP3 228 88.918 21.332 -9.435 1.00 0.00 WT1 H ATOM 3802 OH2 TIP3 229 52.764 2.992 58.512 1.00 0.00 WT1 O ATOM 3803 H1 TIP3 229 53.102 2.103 58.622 1.00 0.00 WT1 H ATOM 3804 H2 TIP3 229 53.514 3.558 58.697 1.00 0.00 WT1 H ATOM 3805 OH2 TIP3 230 32.664 52.873 -13.946 1.00 0.00 WT1 O ATOM 3806 H1 TIP3 230 33.324 53.152 -13.312 1.00 0.00 WT1 H ATOM 3807 H2 TIP3 230 32.539 53.634 -14.513 1.00 0.00 WT1 H ATOM 3808 OH2 TIP3 231 84.365 43.427 -17.383 1.00 0.00 WT1 O ATOM 3809 H1 TIP3 231 84.374 42.500 -17.144 1.00 0.00 WT1 H ATOM 3810 H2 TIP3 231 84.612 43.440 -18.307 1.00 0.00 WT1 H ATOM 3811 OH2 TIP3 232 59.224 89.653 40.452 1.00 0.00 WT1 O ATOM 3812 H1 TIP3 232 59.100 88.779 40.823 1.00 0.00 WT1 H ATOM 3813 H2 TIP3 232 59.520 89.493 39.556 1.00 0.00 WT1 H ATOM 3814 OH2 TIP3 233 78.189 41.995 -12.252 1.00 0.00 WT1 O ATOM 3815 H1 TIP3 233 77.648 41.549 -11.600 1.00 0.00 WT1 H ATOM 3816 H2 TIP3 233 78.197 42.910 -11.971 1.00 0.00 WT1 H ATOM 3817 OH2 TIP3 234 28.668 82.284 26.215 1.00 0.00 WT1 O ATOM 3818 H1 TIP3 234 28.691 82.185 27.167 1.00 0.00 WT1 H ATOM 3819 H2 TIP3 234 28.448 81.412 25.888 1.00 0.00 WT1 H ATOM 3820 OH2 TIP3 235 38.271 60.630 -3.514 1.00 0.00 WT1 O ATOM 3821 H1 TIP3 235 38.261 61.394 -4.091 1.00 0.00 WT1 H ATOM 3822 H2 TIP3 235 37.637 60.839 -2.828 1.00 0.00 WT1 H ATOM 3823 OH2 TIP3 236 83.795 48.647 -2.738 1.00 0.00 WT1 O ATOM 3824 H1 TIP3 236 82.962 48.699 -3.207 1.00 0.00 WT1 H ATOM 3825 H2 TIP3 236 83.696 49.254 -2.005 1.00 0.00 WT1 H ATOM 3826 OH2 TIP3 237 39.082 43.092 -4.159 1.00 0.00 WT1 O ATOM 3827 H1 TIP3 237 39.151 43.479 -3.286 1.00 0.00 WT1 H ATOM 3828 H2 TIP3 237 39.435 43.759 -4.747 1.00 0.00 WT1 H ATOM 3829 OH2 TIP3 238 67.170 51.544 27.143 1.00 0.00 WT1 O ATOM 3830 H1 TIP3 238 66.270 51.841 27.283 1.00 0.00 WT1 H ATOM 3831 H2 TIP3 238 67.092 50.601 26.997 1.00 0.00 WT1 H ATOM 3832 OH2 TIP3 239 36.526 14.271 37.392 1.00 0.00 WT1 O ATOM 3833 H1 TIP3 239 37.068 13.605 37.815 1.00 0.00 WT1 H ATOM 3834 H2 TIP3 239 37.006 14.500 36.596 1.00 0.00 WT1 H ATOM 3835 OH2 TIP3 240 77.202 62.432 16.758 1.00 0.00 WT1 O ATOM 3836 H1 TIP3 240 77.087 61.513 16.516 1.00 0.00 WT1 H ATOM 3837 H2 TIP3 240 76.316 62.796 16.747 1.00 0.00 WT1 H ATOM 3838 OH2 TIP3 241 77.215 21.052 -17.066 1.00 0.00 WT1 O ATOM 3839 H1 TIP3 241 76.644 20.546 -17.644 1.00 0.00 WT1 H ATOM 3840 H2 TIP3 241 78.070 21.033 -17.496 1.00 0.00 WT1 H ATOM 3841 OH2 TIP3 242 86.973 39.797 24.110 1.00 0.00 WT1 O ATOM 3842 H1 TIP3 242 86.343 40.291 24.635 1.00 0.00 WT1 H ATOM 3843 H2 TIP3 242 86.901 40.172 23.233 1.00 0.00 WT1 H ATOM 3844 OH2 TIP3 243 73.882 49.117 18.758 1.00 0.00 WT1 O ATOM 3845 H1 TIP3 243 73.459 49.844 18.302 1.00 0.00 WT1 H ATOM 3846 H2 TIP3 243 73.158 48.577 19.072 1.00 0.00 WT1 H ATOM 3847 OH2 TIP3 244 82.393 36.523 2.553 1.00 0.00 WT1 O ATOM 3848 H1 TIP3 244 82.944 36.261 3.290 1.00 0.00 WT1 H ATOM 3849 H2 TIP3 244 81.593 36.857 2.957 1.00 0.00 WT1 H ATOM 3850 OH2 TIP3 245 34.585 14.857 -19.061 1.00 0.00 WT1 O ATOM 3851 H1 TIP3 245 34.486 14.125 -18.451 1.00 0.00 WT1 H ATOM 3852 H2 TIP3 245 35.417 15.261 -18.817 1.00 0.00 WT1 H ATOM 3853 OH2 TIP3 246 46.749 43.000 22.242 1.00 0.00 WT1 O ATOM 3854 H1 TIP3 246 46.163 43.658 21.869 1.00 0.00 WT1 H ATOM 3855 H2 TIP3 246 47.517 43.011 21.671 1.00 0.00 WT1 H ATOM 3856 OH2 TIP3 247 38.300 39.206 62.583 1.00 0.00 WT1 O ATOM 3857 H1 TIP3 247 37.550 39.771 62.397 1.00 0.00 WT1 H ATOM 3858 H2 TIP3 247 39.037 39.636 62.150 1.00 0.00 WT1 H ATOM 3859 OH2 TIP3 248 31.760 90.516 40.027 1.00 0.00 WT1 O ATOM 3860 H1 TIP3 248 31.993 90.168 40.888 1.00 0.00 WT1 H ATOM 3861 H2 TIP3 248 31.767 89.753 39.449 1.00 0.00 WT1 H ATOM 3862 OH2 TIP3 249 33.929 76.342 29.808 1.00 0.00 WT1 O ATOM 3863 H1 TIP3 249 33.852 75.397 29.936 1.00 0.00 WT1 H ATOM 3864 H2 TIP3 249 34.852 76.480 29.592 1.00 0.00 WT1 H ATOM 3865 OH2 TIP3 250 24.339 26.398 64.334 1.00 0.00 WT1 O ATOM 3866 H1 TIP3 250 24.685 25.793 63.678 1.00 0.00 WT1 H ATOM 3867 H2 TIP3 250 24.592 27.265 64.018 1.00 0.00 WT1 H ATOM 3868 OH2 TIP3 251 54.242 13.032 63.796 1.00 0.00 WT1 O ATOM 3869 H1 TIP3 251 54.520 12.522 63.035 1.00 0.00 WT1 H ATOM 3870 H2 TIP3 251 53.465 13.504 63.498 1.00 0.00 WT1 H ATOM 3871 OH2 TIP3 252 63.451 95.125 -5.649 1.00 0.00 WT1 O ATOM 3872 H1 TIP3 252 63.418 94.879 -6.574 1.00 0.00 WT1 H ATOM 3873 H2 TIP3 252 63.998 94.453 -5.242 1.00 0.00 WT1 H ATOM 3874 OH2 TIP3 253 77.390 66.037 5.618 1.00 0.00 WT1 O ATOM 3875 H1 TIP3 253 78.291 66.170 5.325 1.00 0.00 WT1 H ATOM 3876 H2 TIP3 253 76.858 66.191 4.838 1.00 0.00 WT1 H ATOM 3877 OH2 TIP3 254 20.872 59.235 45.382 1.00 0.00 WT1 O ATOM 3878 H1 TIP3 254 20.112 58.929 44.887 1.00 0.00 WT1 H ATOM 3879 H2 TIP3 254 21.589 58.670 45.094 1.00 0.00 WT1 H ATOM 3880 OH2 TIP3 255 69.304 20.604 46.854 1.00 0.00 WT1 O ATOM 3881 H1 TIP3 255 68.506 20.099 47.011 1.00 0.00 WT1 H ATOM 3882 H2 TIP3 255 69.357 20.680 45.902 1.00 0.00 WT1 H ATOM 3883 OH2 TIP3 256 22.433 49.209 7.648 1.00 0.00 WT1 O ATOM 3884 H1 TIP3 256 23.007 49.792 8.146 1.00 0.00 WT1 H ATOM 3885 H2 TIP3 256 23.022 48.552 7.277 1.00 0.00 WT1 H ATOM 3886 OH2 TIP3 257 80.803 74.956 -6.921 1.00 0.00 WT1 O ATOM 3887 H1 TIP3 257 81.640 75.418 -6.878 1.00 0.00 WT1 H ATOM 3888 H2 TIP3 257 80.197 75.590 -7.303 1.00 0.00 WT1 H ATOM 3889 OH2 TIP3 258 53.570 76.081 35.468 1.00 0.00 WT1 O ATOM 3890 H1 TIP3 258 53.539 75.127 35.388 1.00 0.00 WT1 H ATOM 3891 H2 TIP3 258 53.037 76.399 34.739 1.00 0.00 WT1 H ATOM 3892 OH2 TIP3 259 40.477 71.232 3.557 1.00 0.00 WT1 O ATOM 3893 H1 TIP3 259 39.819 70.705 4.009 1.00 0.00 WT1 H ATOM 3894 H2 TIP3 259 41.307 70.796 3.748 1.00 0.00 WT1 H ATOM 3895 OH2 TIP3 260 84.550 38.612 22.295 1.00 0.00 WT1 O ATOM 3896 H1 TIP3 260 85.387 38.148 22.313 1.00 0.00 WT1 H ATOM 3897 H2 TIP3 260 84.212 38.464 21.411 1.00 0.00 WT1 H ATOM 3898 OH2 TIP3 261 45.608 6.878 55.755 1.00 0.00 WT1 O ATOM 3899 H1 TIP3 261 45.469 6.729 54.820 1.00 0.00 WT1 H ATOM 3900 H2 TIP3 261 44.993 7.577 55.980 1.00 0.00 WT1 H ATOM 3901 OH2 TIP3 262 41.713 43.176 7.080 1.00 0.00 WT1 O ATOM 3902 H1 TIP3 262 42.288 43.466 6.372 1.00 0.00 WT1 H ATOM 3903 H2 TIP3 262 42.183 43.407 7.881 1.00 0.00 WT1 H ATOM 3904 OH2 TIP3 263 63.836 54.996 30.388 1.00 0.00 WT1 O ATOM 3905 H1 TIP3 263 63.092 54.943 30.988 1.00 0.00 WT1 H ATOM 3906 H2 TIP3 263 63.443 55.181 29.534 1.00 0.00 WT1 H ATOM 3907 OH2 TIP3 264 69.356 94.593 39.335 1.00 0.00 WT1 O ATOM 3908 H1 TIP3 264 68.721 93.921 39.092 1.00 0.00 WT1 H ATOM 3909 H2 TIP3 264 69.199 94.746 40.267 1.00 0.00 WT1 H ATOM 3910 OH2 TIP3 265 47.987 66.877 57.522 1.00 0.00 WT1 O ATOM 3911 H1 TIP3 265 48.601 66.157 57.379 1.00 0.00 WT1 H ATOM 3912 H2 TIP3 265 48.363 67.613 57.040 1.00 0.00 WT1 H ATOM 3913 OH2 TIP3 266 55.581 8.824 -5.924 1.00 0.00 WT1 O ATOM 3914 H1 TIP3 266 56.124 8.071 -5.692 1.00 0.00 WT1 H ATOM 3915 H2 TIP3 266 56.104 9.310 -6.562 1.00 0.00 WT1 H ATOM 3916 OH2 TIP3 267 80.742 27.051 66.590 1.00 0.00 WT1 O ATOM 3917 H1 TIP3 267 80.075 26.530 67.037 1.00 0.00 WT1 H ATOM 3918 H2 TIP3 267 80.818 27.846 67.116 1.00 0.00 WT1 H ATOM 3919 OH2 TIP3 268 64.186 14.331 55.807 1.00 0.00 WT1 O ATOM 3920 H1 TIP3 268 64.756 14.298 56.575 1.00 0.00 WT1 H ATOM 3921 H2 TIP3 268 63.736 13.486 55.805 1.00 0.00 WT1 H ATOM 3922 OH2 TIP3 269 75.530 26.688 35.003 1.00 0.00 WT1 O ATOM 3923 H1 TIP3 269 75.007 26.367 34.269 1.00 0.00 WT1 H ATOM 3924 H2 TIP3 269 76.432 26.466 34.771 1.00 0.00 WT1 H ATOM 3925 OH2 TIP3 270 52.159 38.354 44.699 1.00 0.00 WT1 O ATOM 3926 H1 TIP3 270 52.240 39.104 44.111 1.00 0.00 WT1 H ATOM 3927 H2 TIP3 270 51.257 38.395 45.017 1.00 0.00 WT1 H ATOM 3928 OH2 TIP3 271 27.833 29.048 2.496 1.00 0.00 WT1 O ATOM 3929 H1 TIP3 271 27.307 29.431 3.198 1.00 0.00 WT1 H ATOM 3930 H2 TIP3 271 27.497 28.157 2.402 1.00 0.00 WT1 H ATOM 3931 OH2 TIP3 272 88.823 65.148 16.939 1.00 0.00 WT1 O ATOM 3932 H1 TIP3 272 88.543 65.225 16.027 1.00 0.00 WT1 H ATOM 3933 H2 TIP3 272 89.680 65.574 16.964 1.00 0.00 WT1 H ATOM 3934 OH2 TIP3 273 69.221 15.748 -17.070 1.00 0.00 WT1 O ATOM 3935 H1 TIP3 273 68.947 15.433 -17.931 1.00 0.00 WT1 H ATOM 3936 H2 TIP3 273 69.300 14.956 -16.538 1.00 0.00 WT1 H ATOM 3937 OH2 TIP3 274 68.584 20.101 -4.353 1.00 0.00 WT1 O ATOM 3938 H1 TIP3 274 69.472 20.334 -4.625 1.00 0.00 WT1 H ATOM 3939 H2 TIP3 274 68.687 19.764 -3.463 1.00 0.00 WT1 H ATOM 3940 OH2 TIP3 275 36.962 1.443 41.066 1.00 0.00 WT1 O ATOM 3941 H1 TIP3 275 36.470 1.048 41.786 1.00 0.00 WT1 H ATOM 3942 H2 TIP3 275 36.979 0.767 40.388 1.00 0.00 WT1 H ATOM 3943 OH2 TIP3 276 33.264 65.064 64.049 1.00 0.00 WT1 O ATOM 3944 H1 TIP3 276 33.249 64.272 64.585 1.00 0.00 WT1 H ATOM 3945 H2 TIP3 276 33.947 64.900 63.398 1.00 0.00 WT1 H ATOM 3946 OH2 TIP3 277 24.092 72.505 31.518 1.00 0.00 WT1 O ATOM 3947 H1 TIP3 277 24.417 72.785 32.374 1.00 0.00 WT1 H ATOM 3948 H2 TIP3 277 24.837 72.062 31.111 1.00 0.00 WT1 H ATOM 3949 OH2 TIP3 278 73.232 27.864 40.035 1.00 0.00 WT1 O ATOM 3950 H1 TIP3 278 72.301 28.087 40.004 1.00 0.00 WT1 H ATOM 3951 H2 TIP3 278 73.511 27.875 39.119 1.00 0.00 WT1 H ATOM 3952 OH2 TIP3 279 77.168 42.307 63.819 1.00 0.00 WT1 O ATOM 3953 H1 TIP3 279 78.107 42.452 63.931 1.00 0.00 WT1 H ATOM 3954 H2 TIP3 279 77.078 41.999 62.917 1.00 0.00 WT1 H ATOM 3955 OH2 TIP3 280 21.140 14.540 37.146 1.00 0.00 WT1 O ATOM 3956 H1 TIP3 280 21.452 15.167 37.800 1.00 0.00 WT1 H ATOM 3957 H2 TIP3 280 21.696 13.770 37.268 1.00 0.00 WT1 H ATOM 3958 OH2 TIP3 281 41.113 11.014 52.486 1.00 0.00 WT1 O ATOM 3959 H1 TIP3 281 41.157 11.222 53.419 1.00 0.00 WT1 H ATOM 3960 H2 TIP3 281 41.016 11.863 52.054 1.00 0.00 WT1 H ATOM 3961 OH2 TIP3 282 58.166 36.007 0.007 1.00 0.00 WT1 O ATOM 3962 H1 TIP3 282 57.350 35.922 -0.487 1.00 0.00 WT1 H ATOM 3963 H2 TIP3 282 57.929 36.530 0.773 1.00 0.00 WT1 H ATOM 3964 OH2 TIP3 283 65.798 75.886 53.396 1.00 0.00 WT1 O ATOM 3965 H1 TIP3 283 65.986 76.226 52.521 1.00 0.00 WT1 H ATOM 3966 H2 TIP3 283 66.535 75.306 53.591 1.00 0.00 WT1 H ATOM 3967 OH2 TIP3 284 28.103 21.495 48.653 1.00 0.00 WT1 O ATOM 3968 H1 TIP3 284 27.500 22.080 48.195 1.00 0.00 WT1 H ATOM 3969 H2 TIP3 284 27.765 20.617 48.478 1.00 0.00 WT1 H ATOM 3970 OH2 TIP3 285 21.422 79.053 57.040 1.00 0.00 WT1 O ATOM 3971 H1 TIP3 285 20.929 79.352 56.277 1.00 0.00 WT1 H ATOM 3972 H2 TIP3 285 20.754 78.846 57.693 1.00 0.00 WT1 H ATOM 3973 OH2 TIP3 286 89.269 47.982 -6.946 1.00 0.00 WT1 O ATOM 3974 H1 TIP3 286 89.996 48.324 -6.426 1.00 0.00 WT1 H ATOM 3975 H2 TIP3 286 88.959 47.221 -6.454 1.00 0.00 WT1 H ATOM 3976 OH2 TIP3 287 30.738 25.094 48.576 1.00 0.00 WT1 O ATOM 3977 H1 TIP3 287 30.420 24.220 48.345 1.00 0.00 WT1 H ATOM 3978 H2 TIP3 287 31.553 25.190 48.082 1.00 0.00 WT1 H ATOM 3979 OH2 TIP3 288 70.344 57.629 28.424 1.00 0.00 WT1 O ATOM 3980 H1 TIP3 288 69.758 57.944 29.113 1.00 0.00 WT1 H ATOM 3981 H2 TIP3 288 69.771 57.476 27.673 1.00 0.00 WT1 H ATOM 3982 OH2 TIP3 289 66.817 48.867 30.274 1.00 0.00 WT1 O ATOM 3983 H1 TIP3 289 66.095 48.592 30.839 1.00 0.00 WT1 H ATOM 3984 H2 TIP3 289 66.410 49.016 29.420 1.00 0.00 WT1 H ATOM 3985 OH2 TIP3 290 29.895 76.576 44.162 1.00 0.00 WT1 O ATOM 3986 H1 TIP3 290 29.373 77.125 43.577 1.00 0.00 WT1 H ATOM 3987 H2 TIP3 290 29.337 75.820 44.343 1.00 0.00 WT1 H ATOM 3988 OH2 TIP3 291 83.446 41.778 7.281 1.00 0.00 WT1 O ATOM 3989 H1 TIP3 291 83.251 42.627 7.678 1.00 0.00 WT1 H ATOM 3990 H2 TIP3 291 83.582 41.191 8.025 1.00 0.00 WT1 H ATOM 3991 OH2 TIP3 292 27.539 53.402 38.032 1.00 0.00 WT1 O ATOM 3992 H1 TIP3 292 28.100 53.888 37.427 1.00 0.00 WT1 H ATOM 3993 H2 TIP3 292 26.650 53.563 37.717 1.00 0.00 WT1 H ATOM 3994 OH2 TIP3 293 80.900 63.734 0.956 1.00 0.00 WT1 O ATOM 3995 H1 TIP3 293 80.461 63.027 0.484 1.00 0.00 WT1 H ATOM 3996 H2 TIP3 293 81.592 64.025 0.362 1.00 0.00 WT1 H ATOM 3997 OH2 TIP3 294 69.384 33.960 58.126 1.00 0.00 WT1 O ATOM 3998 H1 TIP3 294 69.460 34.148 57.190 1.00 0.00 WT1 H ATOM 3999 H2 TIP3 294 69.664 34.768 58.556 1.00 0.00 WT1 H ATOM 4000 OH2 TIP3 295 58.403 88.432 64.245 1.00 0.00 WT1 O ATOM 4001 H1 TIP3 295 58.608 87.886 63.486 1.00 0.00 WT1 H ATOM 4002 H2 TIP3 295 58.893 89.242 64.098 1.00 0.00 WT1 H ATOM 4003 OH2 TIP3 296 42.411 56.946 40.252 1.00 0.00 WT1 O ATOM 4004 H1 TIP3 296 43.105 57.575 40.452 1.00 0.00 WT1 H ATOM 4005 H2 TIP3 296 42.286 57.020 39.306 1.00 0.00 WT1 H ATOM 4006 OH2 TIP3 297 87.249 41.260 21.731 1.00 0.00 WT1 O ATOM 4007 H1 TIP3 297 87.554 42.140 21.510 1.00 0.00 WT1 H ATOM 4008 H2 TIP3 297 87.159 40.818 20.887 1.00 0.00 WT1 H ATOM 4009 OH2 TIP3 298 78.789 43.918 24.942 1.00 0.00 WT1 O ATOM 4010 H1 TIP3 298 77.914 44.307 24.948 1.00 0.00 WT1 H ATOM 4011 H2 TIP3 298 78.994 43.774 25.866 1.00 0.00 WT1 H ATOM 4012 OH2 TIP3 299 77.769 42.919 -15.091 1.00 0.00 WT1 O ATOM 4013 H1 TIP3 299 78.372 43.254 -15.755 1.00 0.00 WT1 H ATOM 4014 H2 TIP3 299 77.715 43.620 -14.441 1.00 0.00 WT1 H ATOM 4015 OH2 TIP3 300 43.213 79.185 21.831 1.00 0.00 WT1 O ATOM 4016 H1 TIP3 300 43.172 78.388 22.359 1.00 0.00 WT1 H ATOM 4017 H2 TIP3 300 44.144 79.301 21.643 1.00 0.00 WT1 H ATOM 4018 OH2 TIP3 301 46.484 96.446 25.855 1.00 0.00 WT1 O ATOM 4019 H1 TIP3 301 45.873 95.717 25.754 1.00 0.00 WT1 H ATOM 4020 H2 TIP3 301 46.245 97.058 25.158 1.00 0.00 WT1 H ATOM 4021 OH2 TIP3 302 54.927 5.508 6.587 1.00 0.00 WT1 O ATOM 4022 H1 TIP3 302 54.762 5.660 7.518 1.00 0.00 WT1 H ATOM 4023 H2 TIP3 302 54.081 5.658 6.166 1.00 0.00 WT1 H ATOM 4024 OH2 TIP3 303 39.399 48.260 -10.398 1.00 0.00 WT1 O ATOM 4025 H1 TIP3 303 39.047 48.890 -9.769 1.00 0.00 WT1 H ATOM 4026 H2 TIP3 303 40.282 48.072 -10.082 1.00 0.00 WT1 H ATOM 4027 OH2 TIP3 304 60.057 25.257 15.392 1.00 0.00 WT1 O ATOM 4028 H1 TIP3 304 59.244 25.126 15.880 1.00 0.00 WT1 H ATOM 4029 H2 TIP3 304 60.095 26.201 15.238 1.00 0.00 WT1 H ATOM 4030 OH2 TIP3 305 29.747 45.787 15.365 1.00 0.00 WT1 O ATOM 4031 H1 TIP3 305 30.522 45.450 15.814 1.00 0.00 WT1 H ATOM 4032 H2 TIP3 305 30.013 46.647 15.039 1.00 0.00 WT1 H ATOM 4033 OH2 TIP3 306 74.160 84.392 17.292 1.00 0.00 WT1 O ATOM 4034 H1 TIP3 306 74.625 85.219 17.163 1.00 0.00 WT1 H ATOM 4035 H2 TIP3 306 73.242 84.604 17.122 1.00 0.00 WT1 H ATOM 4036 OH2 TIP3 307 45.880 66.566 -10.671 1.00 0.00 WT1 O ATOM 4037 H1 TIP3 307 45.943 66.178 -11.544 1.00 0.00 WT1 H ATOM 4038 H2 TIP3 307 45.614 65.841 -10.105 1.00 0.00 WT1 H ATOM 4039 OH2 TIP3 308 37.237 78.211 -1.646 1.00 0.00 WT1 O ATOM 4040 H1 TIP3 308 37.977 78.727 -1.325 1.00 0.00 WT1 H ATOM 4041 H2 TIP3 308 37.468 77.997 -2.550 1.00 0.00 WT1 H ATOM 4042 OH2 TIP3 309 53.081 92.560 6.596 1.00 0.00 WT1 O ATOM 4043 H1 TIP3 309 53.316 92.415 7.512 1.00 0.00 WT1 H ATOM 4044 H2 TIP3 309 52.397 93.228 6.626 1.00 0.00 WT1 H ATOM 4045 OH2 TIP3 311 47.546 59.553 -19.418 1.00 0.00 WT1 O ATOM 4046 H1 TIP3 311 47.762 60.025 -20.222 1.00 0.00 WT1 H ATOM 4047 H2 TIP3 311 48.027 60.014 -18.732 1.00 0.00 WT1 H ATOM 4048 OH2 TIP3 312 21.164 53.147 32.710 1.00 0.00 WT1 O ATOM 4049 H1 TIP3 312 20.796 53.745 32.058 1.00 0.00 WT1 H ATOM 4050 H2 TIP3 312 20.652 53.312 33.502 1.00 0.00 WT1 H ATOM 4051 OH2 TIP3 313 61.026 1.184 55.041 1.00 0.00 WT1 O ATOM 4052 H1 TIP3 313 61.855 0.932 55.448 1.00 0.00 WT1 H ATOM 4053 H2 TIP3 313 60.543 1.630 55.737 1.00 0.00 WT1 H ATOM 4054 OH2 TIP3 314 23.678 37.053 29.244 1.00 0.00 WT1 O ATOM 4055 H1 TIP3 314 23.145 37.835 29.388 1.00 0.00 WT1 H ATOM 4056 H2 TIP3 314 24.404 37.354 28.697 1.00 0.00 WT1 H ATOM 4057 OH2 TIP3 316 52.004 36.420 46.669 1.00 0.00 WT1 O ATOM 4058 H1 TIP3 316 52.838 35.953 46.617 1.00 0.00 WT1 H ATOM 4059 H2 TIP3 316 52.039 37.055 45.954 1.00 0.00 WT1 H ATOM 4060 OH2 TIP3 317 36.941 48.409 40.539 1.00 0.00 WT1 O ATOM 4061 H1 TIP3 317 37.425 49.017 41.098 1.00 0.00 WT1 H ATOM 4062 H2 TIP3 317 37.413 48.422 39.706 1.00 0.00 WT1 H ATOM 4063 OH2 TIP3 318 43.710 92.184 50.964 1.00 0.00 WT1 O ATOM 4064 H1 TIP3 318 44.433 91.940 51.542 1.00 0.00 WT1 H ATOM 4065 H2 TIP3 318 43.147 91.410 50.945 1.00 0.00 WT1 H ATOM 4066 OH2 TIP3 319 80.060 59.547 49.818 1.00 0.00 WT1 O ATOM 4067 H1 TIP3 319 79.357 59.063 49.384 1.00 0.00 WT1 H ATOM 4068 H2 TIP3 319 80.402 60.131 49.142 1.00 0.00 WT1 H ATOM 4069 OH2 TIP3 320 74.777 60.252 2.122 1.00 0.00 WT1 O ATOM 4070 H1 TIP3 320 74.187 60.927 2.458 1.00 0.00 WT1 H ATOM 4071 H2 TIP3 320 75.169 59.866 2.905 1.00 0.00 WT1 H ATOM 4072 OH2 TIP3 321 45.432 34.545 -13.116 1.00 0.00 WT1 O ATOM 4073 H1 TIP3 321 44.685 35.059 -12.808 1.00 0.00 WT1 H ATOM 4074 H2 TIP3 321 45.824 34.190 -12.318 1.00 0.00 WT1 H ATOM 4075 OH2 TIP3 322 75.969 8.923 -12.578 1.00 0.00 WT1 O ATOM 4076 H1 TIP3 322 76.856 8.574 -12.671 1.00 0.00 WT1 H ATOM 4077 H2 TIP3 322 76.089 9.773 -12.155 1.00 0.00 WT1 H ATOM 4078 OH2 TIP3 324 34.102 70.282 25.917 1.00 0.00 WT1 O ATOM 4079 H1 TIP3 324 34.466 69.406 26.046 1.00 0.00 WT1 H ATOM 4080 H2 TIP3 324 34.766 70.872 26.274 1.00 0.00 WT1 H ATOM 4081 OH2 TIP3 325 47.322 36.438 7.052 1.00 0.00 WT1 O ATOM 4082 H1 TIP3 325 47.415 36.298 7.995 1.00 0.00 WT1 H ATOM 4083 H2 TIP3 325 47.350 37.389 6.946 1.00 0.00 WT1 H ATOM 4084 OH2 TIP3 326 29.318 60.185 -10.835 1.00 0.00 WT1 O ATOM 4085 H1 TIP3 326 29.928 59.579 -10.414 1.00 0.00 WT1 H ATOM 4086 H2 TIP3 326 28.534 59.662 -11.000 1.00 0.00 WT1 H ATOM 4087 OH2 TIP3 327 36.667 30.659 18.508 1.00 0.00 WT1 O ATOM 4088 H1 TIP3 327 37.177 31.203 17.909 1.00 0.00 WT1 H ATOM 4089 H2 TIP3 327 36.188 31.284 19.052 1.00 0.00 WT1 H ATOM 4090 OH2 TIP3 328 36.904 27.072 -8.070 1.00 0.00 WT1 O ATOM 4091 H1 TIP3 328 36.202 26.612 -7.610 1.00 0.00 WT1 H ATOM 4092 H2 TIP3 328 37.104 26.514 -8.822 1.00 0.00 WT1 H ATOM 4093 OH2 TIP3 329 20.953 87.833 36.548 1.00 0.00 WT1 O ATOM 4094 H1 TIP3 329 21.732 88.357 36.731 1.00 0.00 WT1 H ATOM 4095 H2 TIP3 329 20.427 88.380 35.964 1.00 0.00 WT1 H ATOM 4096 OH2 TIP3 330 37.492 59.811 -13.422 1.00 0.00 WT1 O ATOM 4097 H1 TIP3 330 38.265 59.340 -13.111 1.00 0.00 WT1 H ATOM 4098 H2 TIP3 330 36.752 59.291 -13.108 1.00 0.00 WT1 H ATOM 4099 OH2 TIP3 331 76.978 9.004 -8.543 1.00 0.00 WT1 O ATOM 4100 H1 TIP3 331 76.962 9.642 -9.256 1.00 0.00 WT1 H ATOM 4101 H2 TIP3 331 77.817 8.555 -8.641 1.00 0.00 WT1 H ATOM 4102 OH2 TIP3 332 86.799 69.340 6.834 1.00 0.00 WT1 O ATOM 4103 H1 TIP3 332 86.587 69.999 7.495 1.00 0.00 WT1 H ATOM 4104 H2 TIP3 332 87.280 68.665 7.313 1.00 0.00 WT1 H ATOM 4105 OH2 TIP3 333 60.199 74.675 58.039 1.00 0.00 WT1 O ATOM 4106 H1 TIP3 333 59.250 74.692 57.910 1.00 0.00 WT1 H ATOM 4107 H2 TIP3 333 60.526 74.108 57.341 1.00 0.00 WT1 H ATOM 4108 OH2 TIP3 335 71.917 52.570 38.982 1.00 0.00 WT1 O ATOM 4109 H1 TIP3 335 71.477 53.386 38.743 1.00 0.00 WT1 H ATOM 4110 H2 TIP3 335 71.391 51.884 38.571 1.00 0.00 WT1 H ATOM 4111 OH2 TIP3 336 51.865 50.043 40.273 1.00 0.00 WT1 O ATOM 4112 H1 TIP3 336 51.305 49.381 39.866 1.00 0.00 WT1 H ATOM 4113 H2 TIP3 336 52.655 49.566 40.527 1.00 0.00 WT1 H ATOM 4114 OH2 TIP3 337 59.676 54.201 -12.435 1.00 0.00 WT1 O ATOM 4115 H1 TIP3 337 59.903 53.518 -11.803 1.00 0.00 WT1 H ATOM 4116 H2 TIP3 337 58.806 53.956 -12.751 1.00 0.00 WT1 H ATOM 4117 OH2 TIP3 338 35.561 22.833 -17.774 1.00 0.00 WT1 O ATOM 4118 H1 TIP3 338 36.403 22.608 -18.169 1.00 0.00 WT1 H ATOM 4119 H2 TIP3 338 34.935 22.237 -18.186 1.00 0.00 WT1 H ATOM 4120 OH2 TIP3 339 49.155 34.895 59.584 1.00 0.00 WT1 O ATOM 4121 H1 TIP3 339 49.575 35.042 60.432 1.00 0.00 WT1 H ATOM 4122 H2 TIP3 339 49.880 34.866 58.960 1.00 0.00 WT1 H ATOM 4123 OH2 TIP3 340 86.337 53.722 18.517 1.00 0.00 WT1 O ATOM 4124 H1 TIP3 340 85.809 53.030 18.914 1.00 0.00 WT1 H ATOM 4125 H2 TIP3 340 86.230 53.594 17.574 1.00 0.00 WT1 H ATOM 4126 OH2 TIP3 341 81.695 69.429 50.694 1.00 0.00 WT1 O ATOM 4127 H1 TIP3 341 81.280 68.647 50.330 1.00 0.00 WT1 H ATOM 4128 H2 TIP3 341 82.124 69.123 51.493 1.00 0.00 WT1 H ATOM 4129 OH2 TIP3 342 65.907 22.221 58.591 1.00 0.00 WT1 O ATOM 4130 H1 TIP3 342 65.051 22.492 58.924 1.00 0.00 WT1 H ATOM 4131 H2 TIP3 342 66.277 21.682 59.290 1.00 0.00 WT1 H ATOM 4132 OH2 TIP3 343 75.427 67.185 19.249 1.00 0.00 WT1 O ATOM 4133 H1 TIP3 343 76.114 66.566 19.002 1.00 0.00 WT1 H ATOM 4134 H2 TIP3 343 74.808 66.666 19.762 1.00 0.00 WT1 H ATOM 4135 OH2 TIP3 344 88.191 91.518 9.978 1.00 0.00 WT1 O ATOM 4136 H1 TIP3 344 87.827 91.216 10.810 1.00 0.00 WT1 H ATOM 4137 H2 TIP3 344 87.769 90.970 9.318 1.00 0.00 WT1 H ATOM 4138 OH2 TIP3 345 33.503 25.491 30.785 1.00 0.00 WT1 O ATOM 4139 H1 TIP3 345 33.993 26.281 31.013 1.00 0.00 WT1 H ATOM 4140 H2 TIP3 345 34.057 25.042 30.146 1.00 0.00 WT1 H ATOM 4141 OH2 TIP3 346 81.184 55.010 0.873 1.00 0.00 WT1 O ATOM 4142 H1 TIP3 346 80.748 55.640 0.300 1.00 0.00 WT1 H ATOM 4143 H2 TIP3 346 80.532 54.324 1.016 1.00 0.00 WT1 H ATOM 4144 OH2 TIP3 347 29.988 71.384 12.671 1.00 0.00 WT1 O ATOM 4145 H1 TIP3 347 29.282 70.850 13.035 1.00 0.00 WT1 H ATOM 4146 H2 TIP3 347 30.593 71.511 13.401 1.00 0.00 WT1 H ATOM 4147 OH2 TIP3 348 30.768 24.146 39.360 1.00 0.00 WT1 O ATOM 4148 H1 TIP3 348 30.981 23.962 38.445 1.00 0.00 WT1 H ATOM 4149 H2 TIP3 348 30.100 23.498 39.585 1.00 0.00 WT1 H ATOM 4150 OH2 TIP3 349 30.461 65.559 20.413 1.00 0.00 WT1 O ATOM 4151 H1 TIP3 349 30.419 66.491 20.199 1.00 0.00 WT1 H ATOM 4152 H2 TIP3 349 31.317 65.277 20.090 1.00 0.00 WT1 H ATOM 4153 OH2 TIP3 350 35.511 41.784 27.095 1.00 0.00 WT1 O ATOM 4154 H1 TIP3 350 35.395 41.471 26.198 1.00 0.00 WT1 H ATOM 4155 H2 TIP3 350 36.035 41.105 27.521 1.00 0.00 WT1 H ATOM 4156 OH2 TIP3 352 75.181 76.199 28.765 1.00 0.00 WT1 O ATOM 4157 H1 TIP3 352 75.243 75.266 28.560 1.00 0.00 WT1 H ATOM 4158 H2 TIP3 352 74.268 76.424 28.587 1.00 0.00 WT1 H ATOM 4159 OH2 TIP3 353 69.843 59.522 17.142 1.00 0.00 WT1 O ATOM 4160 H1 TIP3 353 69.188 58.831 17.045 1.00 0.00 WT1 H ATOM 4161 H2 TIP3 353 69.623 59.947 17.971 1.00 0.00 WT1 H ATOM 4162 OH2 TIP3 355 78.550 71.827 64.962 1.00 0.00 WT1 O ATOM 4163 H1 TIP3 355 77.981 71.113 64.671 1.00 0.00 WT1 H ATOM 4164 H2 TIP3 355 78.635 71.696 65.906 1.00 0.00 WT1 H ATOM 4165 OH2 TIP3 356 89.759 19.387 0.557 1.00 0.00 WT1 O ATOM 4166 H1 TIP3 356 90.351 19.740 -0.108 1.00 0.00 WT1 H ATOM 4167 H2 TIP3 356 89.471 20.153 1.053 1.00 0.00 WT1 H ATOM 4168 OH2 TIP3 357 73.937 43.641 50.220 1.00 0.00 WT1 O ATOM 4169 H1 TIP3 357 73.588 43.096 50.924 1.00 0.00 WT1 H ATOM 4170 H2 TIP3 357 73.911 44.532 50.571 1.00 0.00 WT1 H ATOM 4171 OH2 TIP3 358 45.997 12.130 58.235 1.00 0.00 WT1 O ATOM 4172 H1 TIP3 358 46.378 11.507 58.854 1.00 0.00 WT1 H ATOM 4173 H2 TIP3 358 46.321 11.848 57.380 1.00 0.00 WT1 H ATOM 4174 OH2 TIP3 359 76.553 31.147 29.072 1.00 0.00 WT1 O ATOM 4175 H1 TIP3 359 76.026 31.879 28.749 1.00 0.00 WT1 H ATOM 4176 H2 TIP3 359 75.926 30.582 29.524 1.00 0.00 WT1 H ATOM 4177 OH2 TIP3 360 34.400 18.981 3.921 1.00 0.00 WT1 O ATOM 4178 H1 TIP3 360 35.149 19.227 3.378 1.00 0.00 WT1 H ATOM 4179 H2 TIP3 360 33.856 19.768 3.951 1.00 0.00 WT1 H ATOM 4180 OH2 TIP3 361 26.285 63.499 0.303 1.00 0.00 WT1 O ATOM 4181 H1 TIP3 361 25.830 62.714 0.608 1.00 0.00 WT1 H ATOM 4182 H2 TIP3 361 27.119 63.491 0.774 1.00 0.00 WT1 H ATOM 4183 OH2 TIP3 362 35.101 7.880 5.571 1.00 0.00 WT1 O ATOM 4184 H1 TIP3 362 35.085 8.791 5.277 1.00 0.00 WT1 H ATOM 4185 H2 TIP3 362 34.180 7.622 5.606 1.00 0.00 WT1 H ATOM 4186 OH2 TIP3 363 61.431 73.174 4.194 1.00 0.00 WT1 O ATOM 4187 H1 TIP3 363 61.806 73.383 5.050 1.00 0.00 WT1 H ATOM 4188 H2 TIP3 363 60.991 72.334 4.324 1.00 0.00 WT1 H ATOM 4189 OH2 TIP3 364 63.251 32.246 57.269 1.00 0.00 WT1 O ATOM 4190 H1 TIP3 364 62.614 32.873 56.926 1.00 0.00 WT1 H ATOM 4191 H2 TIP3 364 62.739 31.667 57.833 1.00 0.00 WT1 H ATOM 4192 OH2 TIP3 365 41.160 79.687 8.062 1.00 0.00 WT1 O ATOM 4193 H1 TIP3 365 41.136 78.751 7.865 1.00 0.00 WT1 H ATOM 4194 H2 TIP3 365 41.599 79.743 8.911 1.00 0.00 WT1 H ATOM 4195 OH2 TIP3 366 73.871 26.070 -14.453 1.00 0.00 WT1 O ATOM 4196 H1 TIP3 366 74.503 25.438 -14.794 1.00 0.00 WT1 H ATOM 4197 H2 TIP3 366 73.589 26.566 -15.221 1.00 0.00 WT1 H ATOM 4198 OH2 TIP3 367 42.529 88.994 19.090 1.00 0.00 WT1 O ATOM 4199 H1 TIP3 367 42.720 88.771 20.001 1.00 0.00 WT1 H ATOM 4200 H2 TIP3 367 43.370 88.913 18.642 1.00 0.00 WT1 H ATOM 4201 OH2 TIP3 368 24.129 58.708 30.470 1.00 0.00 WT1 O ATOM 4202 H1 TIP3 368 24.279 57.763 30.505 1.00 0.00 WT1 H ATOM 4203 H2 TIP3 368 24.121 58.914 29.535 1.00 0.00 WT1 H ATOM 4204 OH2 TIP3 369 29.816 59.650 3.641 1.00 0.00 WT1 O ATOM 4205 H1 TIP3 369 30.535 59.115 3.978 1.00 0.00 WT1 H ATOM 4206 H2 TIP3 369 29.675 60.315 4.314 1.00 0.00 WT1 H ATOM 4207 OH2 TIP3 370 82.015 34.165 -13.894 1.00 0.00 WT1 O ATOM 4208 H1 TIP3 370 81.617 33.295 -13.869 1.00 0.00 WT1 H ATOM 4209 H2 TIP3 370 82.384 34.235 -14.774 1.00 0.00 WT1 H ATOM 4210 OH2 TIP3 371 81.071 56.440 61.530 1.00 0.00 WT1 O ATOM 4211 H1 TIP3 371 80.480 56.339 62.276 1.00 0.00 WT1 H ATOM 4212 H2 TIP3 371 81.934 56.575 61.923 1.00 0.00 WT1 H ATOM 4213 OH2 TIP3 372 24.026 86.954 14.972 1.00 0.00 WT1 O ATOM 4214 H1 TIP3 372 24.572 87.739 15.022 1.00 0.00 WT1 H ATOM 4215 H2 TIP3 372 24.273 86.541 14.145 1.00 0.00 WT1 H ATOM 4216 OH2 TIP3 373 62.013 64.714 40.564 1.00 0.00 WT1 O ATOM 4217 H1 TIP3 373 61.725 64.841 39.660 1.00 0.00 WT1 H ATOM 4218 H2 TIP3 373 61.538 63.938 40.861 1.00 0.00 WT1 H ATOM 4219 OH2 TIP3 374 38.611 69.308 54.189 1.00 0.00 WT1 O ATOM 4220 H1 TIP3 374 39.214 68.623 54.478 1.00 0.00 WT1 H ATOM 4221 H2 TIP3 374 38.447 69.110 53.267 1.00 0.00 WT1 H ATOM 4222 OH2 TIP3 375 27.220 95.129 49.008 1.00 0.00 WT1 O ATOM 4223 H1 TIP3 375 27.652 95.977 49.110 1.00 0.00 WT1 H ATOM 4224 H2 TIP3 375 27.915 94.487 49.151 1.00 0.00 WT1 H ATOM 4225 OH2 TIP3 376 90.074 3.093 55.052 1.00 0.00 WT1 O ATOM 4226 H1 TIP3 376 89.740 2.982 55.942 1.00 0.00 WT1 H ATOM 4227 H2 TIP3 376 90.741 2.413 54.959 1.00 0.00 WT1 H ATOM 4228 OH2 TIP3 377 23.302 83.894 20.597 1.00 0.00 WT1 O ATOM 4229 H1 TIP3 377 24.154 84.297 20.427 1.00 0.00 WT1 H ATOM 4230 H2 TIP3 377 22.672 84.604 20.476 1.00 0.00 WT1 H ATOM 4231 OH2 TIP3 378 57.586 7.026 -5.781 1.00 0.00 WT1 O ATOM 4232 H1 TIP3 378 57.938 6.598 -5.001 1.00 0.00 WT1 H ATOM 4233 H2 TIP3 378 57.915 6.502 -6.511 1.00 0.00 WT1 H ATOM 4234 OH2 TIP3 379 30.430 93.877 55.751 1.00 0.00 WT1 O ATOM 4235 H1 TIP3 379 30.307 94.442 56.513 1.00 0.00 WT1 H ATOM 4236 H2 TIP3 379 30.053 94.371 55.022 1.00 0.00 WT1 H ATOM 4237 OH2 TIP3 380 41.678 46.732 55.176 1.00 0.00 WT1 O ATOM 4238 H1 TIP3 380 40.875 47.221 54.996 1.00 0.00 WT1 H ATOM 4239 H2 TIP3 380 41.423 46.083 55.831 1.00 0.00 WT1 H ATOM 4240 OH2 TIP3 381 62.275 60.360 61.518 1.00 0.00 WT1 O ATOM 4241 H1 TIP3 381 61.881 59.574 61.138 1.00 0.00 WT1 H ATOM 4242 H2 TIP3 381 61.533 60.934 61.707 1.00 0.00 WT1 H ATOM 4243 OH2 TIP3 382 56.568 8.987 11.622 1.00 0.00 WT1 O ATOM 4244 H1 TIP3 382 56.708 8.222 12.181 1.00 0.00 WT1 H ATOM 4245 H2 TIP3 382 55.656 9.231 11.774 1.00 0.00 WT1 H ATOM 4246 OH2 TIP3 383 54.810 91.977 -17.138 1.00 0.00 WT1 O ATOM 4247 H1 TIP3 383 53.894 92.186 -17.323 1.00 0.00 WT1 H ATOM 4248 H2 TIP3 383 54.940 92.253 -16.231 1.00 0.00 WT1 H ATOM 4249 OH2 TIP3 384 77.573 41.862 1.611 1.00 0.00 WT1 O ATOM 4250 H1 TIP3 384 78.261 42.527 1.579 1.00 0.00 WT1 H ATOM 4251 H2 TIP3 384 76.934 42.208 2.234 1.00 0.00 WT1 H ATOM 4252 OH2 TIP3 385 28.948 12.567 -13.257 1.00 0.00 WT1 O ATOM 4253 H1 TIP3 385 29.879 12.386 -13.385 1.00 0.00 WT1 H ATOM 4254 H2 TIP3 385 28.608 12.712 -14.140 1.00 0.00 WT1 H ATOM 4255 OH2 TIP3 386 83.725 34.878 -5.789 1.00 0.00 WT1 O ATOM 4256 H1 TIP3 386 83.550 35.813 -5.903 1.00 0.00 WT1 H ATOM 4257 H2 TIP3 386 84.232 34.826 -4.979 1.00 0.00 WT1 H ATOM 4258 OH2 TIP3 387 54.778 35.106 4.316 1.00 0.00 WT1 O ATOM 4259 H1 TIP3 387 55.455 34.437 4.217 1.00 0.00 WT1 H ATOM 4260 H2 TIP3 387 55.164 35.753 4.907 1.00 0.00 WT1 H ATOM 4261 OH2 TIP3 388 27.910 81.806 3.908 1.00 0.00 WT1 O ATOM 4262 H1 TIP3 388 28.616 82.452 3.907 1.00 0.00 WT1 H ATOM 4263 H2 TIP3 388 27.195 82.233 4.380 1.00 0.00 WT1 H ATOM 4264 OH2 TIP3 389 85.066 40.295 50.087 1.00 0.00 WT1 O ATOM 4265 H1 TIP3 389 84.342 40.073 50.671 1.00 0.00 WT1 H ATOM 4266 H2 TIP3 389 85.722 40.693 50.659 1.00 0.00 WT1 H ATOM 4267 OH2 TIP3 390 77.606 72.176 54.133 1.00 0.00 WT1 O ATOM 4268 H1 TIP3 390 78.178 72.721 54.673 1.00 0.00 WT1 H ATOM 4269 H2 TIP3 390 76.906 71.903 54.725 1.00 0.00 WT1 H ATOM 4270 OH2 TIP3 391 23.345 46.435 10.751 1.00 0.00 WT1 O ATOM 4271 H1 TIP3 391 22.550 45.979 10.476 1.00 0.00 WT1 H ATOM 4272 H2 TIP3 391 23.133 46.787 11.615 1.00 0.00 WT1 H ATOM 4273 OH2 TIP3 392 22.715 26.700 51.684 1.00 0.00 WT1 O ATOM 4274 H1 TIP3 392 22.973 25.896 52.134 1.00 0.00 WT1 H ATOM 4275 H2 TIP3 392 22.358 26.403 50.847 1.00 0.00 WT1 H ATOM 4276 OH2 TIP3 393 66.347 36.189 66.672 1.00 0.00 WT1 O ATOM 4277 H1 TIP3 393 66.247 36.851 67.355 1.00 0.00 WT1 H ATOM 4278 H2 TIP3 393 67.082 35.651 66.965 1.00 0.00 WT1 H ATOM 4279 OH2 TIP3 394 71.018 3.236 19.396 1.00 0.00 WT1 O ATOM 4280 H1 TIP3 394 70.923 3.194 20.347 1.00 0.00 WT1 H ATOM 4281 H2 TIP3 394 70.971 4.169 19.190 1.00 0.00 WT1 H ATOM 4282 OH2 TIP3 395 79.736 42.125 -17.170 1.00 0.00 WT1 O ATOM 4283 H1 TIP3 395 80.488 42.716 -17.205 1.00 0.00 WT1 H ATOM 4284 H2 TIP3 395 78.995 42.663 -17.450 1.00 0.00 WT1 H ATOM 4285 OH2 TIP3 396 34.263 15.798 -9.205 1.00 0.00 WT1 O ATOM 4286 H1 TIP3 396 33.799 16.612 -9.402 1.00 0.00 WT1 H ATOM 4287 H2 TIP3 396 33.835 15.140 -9.753 1.00 0.00 WT1 H ATOM 4288 OH2 TIP3 397 64.094 89.509 45.985 1.00 0.00 WT1 O ATOM 4289 H1 TIP3 397 64.620 89.747 46.749 1.00 0.00 WT1 H ATOM 4290 H2 TIP3 397 64.447 90.044 45.274 1.00 0.00 WT1 H ATOM 4291 OH2 TIP3 399 90.276 69.463 -16.497 1.00 0.00 WT1 O ATOM 4292 H1 TIP3 399 90.885 68.874 -16.050 1.00 0.00 WT1 H ATOM 4293 H2 TIP3 399 90.309 70.273 -15.987 1.00 0.00 WT1 H ATOM 4294 OH2 TIP3 400 67.173 63.448 -13.287 1.00 0.00 WT1 O ATOM 4295 H1 TIP3 400 66.886 64.093 -12.641 1.00 0.00 WT1 H ATOM 4296 H2 TIP3 400 66.555 62.724 -13.194 1.00 0.00 WT1 H ATOM 4297 OH2 TIP3 401 65.575 51.315 4.754 1.00 0.00 WT1 O ATOM 4298 H1 TIP3 401 65.408 51.449 3.821 1.00 0.00 WT1 H ATOM 4299 H2 TIP3 401 65.636 52.199 5.116 1.00 0.00 WT1 H ATOM 4300 OH2 TIP3 402 32.399 32.292 24.813 1.00 0.00 WT1 O ATOM 4301 H1 TIP3 402 32.055 31.413 24.653 1.00 0.00 WT1 H ATOM 4302 H2 TIP3 402 33.040 32.176 25.514 1.00 0.00 WT1 H ATOM 4303 OH2 TIP3 403 78.043 67.942 -0.707 1.00 0.00 WT1 O ATOM 4304 H1 TIP3 403 78.261 67.012 -0.764 1.00 0.00 WT1 H ATOM 4305 H2 TIP3 403 77.569 68.128 -1.518 1.00 0.00 WT1 H ATOM 4306 OH2 TIP3 404 32.582 22.896 15.669 1.00 0.00 WT1 O ATOM 4307 H1 TIP3 404 32.737 23.838 15.733 1.00 0.00 WT1 H ATOM 4308 H2 TIP3 404 33.011 22.637 14.854 1.00 0.00 WT1 H ATOM 4309 OH2 TIP3 405 63.409 41.525 64.290 1.00 0.00 WT1 O ATOM 4310 H1 TIP3 405 63.241 40.681 64.708 1.00 0.00 WT1 H ATOM 4311 H2 TIP3 405 62.568 41.980 64.319 1.00 0.00 WT1 H ATOM 4312 OH2 TIP3 406 23.371 84.749 36.504 1.00 0.00 WT1 O ATOM 4313 H1 TIP3 406 22.442 84.622 36.697 1.00 0.00 WT1 H ATOM 4314 H2 TIP3 406 23.733 83.863 36.472 1.00 0.00 WT1 H ATOM 4315 OH2 TIP3 407 29.929 46.787 21.869 1.00 0.00 WT1 O ATOM 4316 H1 TIP3 407 30.802 46.777 21.475 1.00 0.00 WT1 H ATOM 4317 H2 TIP3 407 30.076 46.549 22.784 1.00 0.00 WT1 H ATOM 4318 OH2 TIP3 408 31.358 30.312 57.439 1.00 0.00 WT1 O ATOM 4319 H1 TIP3 408 31.188 29.370 57.411 1.00 0.00 WT1 H ATOM 4320 H2 TIP3 408 30.557 30.690 57.803 1.00 0.00 WT1 H ATOM 4321 OH2 TIP3 409 72.296 42.720 -6.361 1.00 0.00 WT1 O ATOM 4322 H1 TIP3 409 71.656 42.052 -6.610 1.00 0.00 WT1 H ATOM 4323 H2 TIP3 409 72.543 43.134 -7.187 1.00 0.00 WT1 H ATOM 4324 OH2 TIP3 411 30.669 21.360 17.025 1.00 0.00 WT1 O ATOM 4325 H1 TIP3 411 30.509 21.987 17.730 1.00 0.00 WT1 H ATOM 4326 H2 TIP3 411 31.553 21.563 16.719 1.00 0.00 WT1 H ATOM 4327 OH2 TIP3 412 39.439 59.894 12.808 1.00 0.00 WT1 O ATOM 4328 H1 TIP3 412 40.284 60.343 12.849 1.00 0.00 WT1 H ATOM 4329 H2 TIP3 412 39.352 59.468 13.661 1.00 0.00 WT1 H ATOM 4330 OH2 TIP3 413 79.559 24.630 64.491 1.00 0.00 WT1 O ATOM 4331 H1 TIP3 413 78.831 25.072 64.054 1.00 0.00 WT1 H ATOM 4332 H2 TIP3 413 80.343 24.994 64.079 1.00 0.00 WT1 H ATOM 4333 OH2 TIP3 414 51.165 64.609 11.359 1.00 0.00 WT1 O ATOM 4334 H1 TIP3 414 51.498 63.879 11.882 1.00 0.00 WT1 H ATOM 4335 H2 TIP3 414 51.866 65.260 11.383 1.00 0.00 WT1 H ATOM 4336 OH2 TIP3 415 64.615 44.503 -8.708 1.00 0.00 WT1 O ATOM 4337 H1 TIP3 415 65.321 45.023 -9.092 1.00 0.00 WT1 H ATOM 4338 H2 TIP3 415 64.015 44.339 -9.436 1.00 0.00 WT1 H ATOM 4339 OH2 TIP3 417 50.564 3.966 5.792 1.00 0.00 WT1 O ATOM 4340 H1 TIP3 417 49.649 3.870 5.527 1.00 0.00 WT1 H ATOM 4341 H2 TIP3 417 51.022 3.260 5.336 1.00 0.00 WT1 H ATOM 4342 OH2 TIP3 418 34.430 83.541 -5.089 1.00 0.00 WT1 O ATOM 4343 H1 TIP3 418 33.881 83.445 -5.868 1.00 0.00 WT1 H ATOM 4344 H2 TIP3 418 33.816 83.766 -4.390 1.00 0.00 WT1 H ATOM 4345 OH2 TIP3 419 62.339 48.944 50.518 1.00 0.00 WT1 O ATOM 4346 H1 TIP3 419 62.742 48.691 49.687 1.00 0.00 WT1 H ATOM 4347 H2 TIP3 419 63.065 48.965 51.141 1.00 0.00 WT1 H ATOM 4348 OH2 TIP3 420 77.148 51.813 45.694 1.00 0.00 WT1 O ATOM 4349 H1 TIP3 420 77.889 52.195 45.223 1.00 0.00 WT1 H ATOM 4350 H2 TIP3 420 76.787 51.166 45.088 1.00 0.00 WT1 H ATOM 4351 OH2 TIP3 421 85.497 10.058 -5.285 1.00 0.00 WT1 O ATOM 4352 H1 TIP3 421 85.381 11.005 -5.203 1.00 0.00 WT1 H ATOM 4353 H2 TIP3 421 85.778 9.928 -6.191 1.00 0.00 WT1 H ATOM 4354 OH2 TIP3 422 41.945 87.821 45.081 1.00 0.00 WT1 O ATOM 4355 H1 TIP3 422 41.308 87.139 44.867 1.00 0.00 WT1 H ATOM 4356 H2 TIP3 422 42.566 87.393 45.670 1.00 0.00 WT1 H ATOM 4357 OH2 TIP3 423 86.151 58.520 2.943 1.00 0.00 WT1 O ATOM 4358 H1 TIP3 423 85.515 58.107 3.527 1.00 0.00 WT1 H ATOM 4359 H2 TIP3 423 85.769 59.373 2.738 1.00 0.00 WT1 H ATOM 4360 OH2 TIP3 424 29.238 85.347 -5.116 1.00 0.00 WT1 O ATOM 4361 H1 TIP3 424 28.499 84.779 -5.335 1.00 0.00 WT1 H ATOM 4362 H2 TIP3 424 29.384 85.201 -4.181 1.00 0.00 WT1 H ATOM 4363 OH2 TIP3 425 76.365 73.954 26.974 1.00 0.00 WT1 O ATOM 4364 H1 TIP3 425 75.792 73.786 26.225 1.00 0.00 WT1 H ATOM 4365 H2 TIP3 425 76.762 73.105 27.167 1.00 0.00 WT1 H ATOM 4366 OH2 TIP3 426 23.133 66.369 10.299 1.00 0.00 WT1 O ATOM 4367 H1 TIP3 426 23.030 66.909 9.515 1.00 0.00 WT1 H ATOM 4368 H2 TIP3 426 23.441 65.524 9.969 1.00 0.00 WT1 H ATOM 4369 OH2 TIP3 427 48.416 88.595 10.941 1.00 0.00 WT1 O ATOM 4370 H1 TIP3 427 48.831 88.837 11.769 1.00 0.00 WT1 H ATOM 4371 H2 TIP3 427 47.520 88.357 11.182 1.00 0.00 WT1 H ATOM 4372 OH2 TIP3 428 38.635 38.388 -17.240 1.00 0.00 WT1 O ATOM 4373 H1 TIP3 428 39.173 39.165 -17.091 1.00 0.00 WT1 H ATOM 4374 H2 TIP3 428 39.119 37.677 -16.820 1.00 0.00 WT1 H ATOM 4375 OH2 TIP3 429 62.777 33.781 22.401 1.00 0.00 WT1 O ATOM 4376 H1 TIP3 429 61.980 33.445 21.991 1.00 0.00 WT1 H ATOM 4377 H2 TIP3 429 63.465 33.177 22.120 1.00 0.00 WT1 H ATOM 4378 OH2 TIP3 430 72.427 73.312 27.711 1.00 0.00 WT1 O ATOM 4379 H1 TIP3 430 71.736 73.593 28.311 1.00 0.00 WT1 H ATOM 4380 H2 TIP3 430 73.219 73.296 28.248 1.00 0.00 WT1 H ATOM 4381 OH2 TIP3 431 60.343 8.348 -2.958 1.00 0.00 WT1 O ATOM 4382 H1 TIP3 431 60.162 9.228 -2.627 1.00 0.00 WT1 H ATOM 4383 H2 TIP3 431 61.040 8.017 -2.391 1.00 0.00 WT1 H ATOM 4384 OH2 TIP3 432 35.801 93.008 55.930 1.00 0.00 WT1 O ATOM 4385 H1 TIP3 432 35.081 92.457 56.235 1.00 0.00 WT1 H ATOM 4386 H2 TIP3 432 36.591 92.508 56.137 1.00 0.00 WT1 H ATOM 4387 OH2 TIP3 433 74.272 51.085 24.470 1.00 0.00 WT1 O ATOM 4388 H1 TIP3 433 73.471 51.597 24.588 1.00 0.00 WT1 H ATOM 4389 H2 TIP3 433 74.448 51.128 23.530 1.00 0.00 WT1 H ATOM 4390 OH2 TIP3 434 71.069 64.425 59.269 1.00 0.00 WT1 O ATOM 4391 H1 TIP3 434 70.766 64.142 58.407 1.00 0.00 WT1 H ATOM 4392 H2 TIP3 434 71.153 63.615 59.772 1.00 0.00 WT1 H ATOM 4393 OH2 TIP3 435 67.877 47.431 57.963 1.00 0.00 WT1 O ATOM 4394 H1 TIP3 435 68.466 47.211 57.242 1.00 0.00 WT1 H ATOM 4395 H2 TIP3 435 67.007 47.453 57.564 1.00 0.00 WT1 H ATOM 4396 OH2 TIP3 436 62.203 47.365 0.040 1.00 0.00 WT1 O ATOM 4397 H1 TIP3 436 62.226 48.291 0.280 1.00 0.00 WT1 H ATOM 4398 H2 TIP3 436 61.788 46.934 0.788 1.00 0.00 WT1 H ATOM 4399 OH2 TIP3 437 78.896 1.338 -16.823 1.00 0.00 WT1 O ATOM 4400 H1 TIP3 437 78.558 1.585 -15.962 1.00 0.00 WT1 H ATOM 4401 H2 TIP3 437 78.145 1.426 -17.410 1.00 0.00 WT1 H ATOM 4402 OH2 TIP3 438 67.009 84.279 -16.744 1.00 0.00 WT1 O ATOM 4403 H1 TIP3 438 66.679 84.446 -17.627 1.00 0.00 WT1 H ATOM 4404 H2 TIP3 438 67.372 85.118 -16.461 1.00 0.00 WT1 H ATOM 4405 OH2 TIP3 439 27.188 78.685 -12.187 1.00 0.00 WT1 O ATOM 4406 H1 TIP3 439 27.593 78.339 -11.392 1.00 0.00 WT1 H ATOM 4407 H2 TIP3 439 27.498 79.589 -12.240 1.00 0.00 WT1 H ATOM 4408 OH2 TIP3 440 65.143 85.405 24.943 1.00 0.00 WT1 O ATOM 4409 H1 TIP3 440 64.596 86.043 25.401 1.00 0.00 WT1 H ATOM 4410 H2 TIP3 440 64.633 84.595 24.959 1.00 0.00 WT1 H ATOM 4411 OH2 TIP3 441 48.172 82.892 17.111 1.00 0.00 WT1 O ATOM 4412 H1 TIP3 441 48.301 81.951 17.229 1.00 0.00 WT1 H ATOM 4413 H2 TIP3 441 47.280 83.053 17.418 1.00 0.00 WT1 H ATOM 4414 OH2 TIP3 442 53.679 26.523 15.251 1.00 0.00 WT1 O ATOM 4415 H1 TIP3 442 52.818 26.638 14.849 1.00 0.00 WT1 H ATOM 4416 H2 TIP3 442 53.549 26.764 16.168 1.00 0.00 WT1 H ATOM 4417 OH2 TIP3 443 79.875 71.760 19.158 1.00 0.00 WT1 O ATOM 4418 H1 TIP3 443 79.793 70.839 18.909 1.00 0.00 WT1 H ATOM 4419 H2 TIP3 443 80.406 71.747 19.954 1.00 0.00 WT1 H ATOM 4420 OH2 TIP3 444 71.023 39.284 28.573 1.00 0.00 WT1 O ATOM 4421 H1 TIP3 444 71.094 39.001 27.661 1.00 0.00 WT1 H ATOM 4422 H2 TIP3 444 71.299 38.522 29.083 1.00 0.00 WT1 H ATOM 4423 OH2 TIP3 446 89.252 64.579 44.551 1.00 0.00 WT1 O ATOM 4424 H1 TIP3 446 88.587 64.932 45.142 1.00 0.00 WT1 H ATOM 4425 H2 TIP3 446 89.122 65.055 43.731 1.00 0.00 WT1 H ATOM 4426 OH2 TIP3 447 78.439 62.680 -5.616 1.00 0.00 WT1 O ATOM 4427 H1 TIP3 447 77.645 63.201 -5.733 1.00 0.00 WT1 H ATOM 4428 H2 TIP3 447 78.610 62.304 -6.479 1.00 0.00 WT1 H ATOM 4429 OH2 TIP3 448 68.681 25.175 24.520 1.00 0.00 WT1 O ATOM 4430 H1 TIP3 448 69.242 24.968 23.772 1.00 0.00 WT1 H ATOM 4431 H2 TIP3 448 68.325 26.041 24.320 1.00 0.00 WT1 H ATOM 4432 OH2 TIP3 450 60.033 89.325 37.626 1.00 0.00 WT1 O ATOM 4433 H1 TIP3 450 60.702 88.654 37.489 1.00 0.00 WT1 H ATOM 4434 H2 TIP3 450 60.268 90.026 37.018 1.00 0.00 WT1 H ATOM 4435 OH2 TIP3 451 70.230 37.442 -8.886 1.00 0.00 WT1 O ATOM 4436 H1 TIP3 451 70.062 38.381 -8.964 1.00 0.00 WT1 H ATOM 4437 H2 TIP3 451 70.444 37.162 -9.776 1.00 0.00 WT1 H ATOM 4438 OH2 TIP3 452 24.295 57.271 38.114 1.00 0.00 WT1 O ATOM 4439 H1 TIP3 452 23.425 57.606 37.897 1.00 0.00 WT1 H ATOM 4440 H2 TIP3 452 24.867 57.633 37.437 1.00 0.00 WT1 H ATOM 4441 OH2 TIP3 453 88.017 23.084 -9.506 1.00 0.00 WT1 O ATOM 4442 H1 TIP3 453 88.124 23.021 -8.557 1.00 0.00 WT1 H ATOM 4443 H2 TIP3 453 88.662 23.737 -9.778 1.00 0.00 WT1 H ATOM 4444 OH2 TIP3 454 44.844 92.256 14.965 1.00 0.00 WT1 O ATOM 4445 H1 TIP3 454 44.328 92.676 14.277 1.00 0.00 WT1 H ATOM 4446 H2 TIP3 454 45.300 91.541 14.521 1.00 0.00 WT1 H ATOM 4447 OH2 TIP3 455 36.176 3.226 62.855 1.00 0.00 WT1 O ATOM 4448 H1 TIP3 455 37.127 3.315 62.790 1.00 0.00 WT1 H ATOM 4449 H2 TIP3 455 36.008 3.129 63.792 1.00 0.00 WT1 H ATOM 4450 OH2 TIP3 456 33.787 73.459 29.639 1.00 0.00 WT1 O ATOM 4451 H1 TIP3 456 33.649 72.777 28.981 1.00 0.00 WT1 H ATOM 4452 H2 TIP3 456 34.318 73.037 30.314 1.00 0.00 WT1 H ATOM 4453 OH2 TIP3 457 31.560 18.380 18.261 1.00 0.00 WT1 O ATOM 4454 H1 TIP3 457 31.868 18.993 18.929 1.00 0.00 WT1 H ATOM 4455 H2 TIP3 457 30.761 18.779 17.918 1.00 0.00 WT1 H ATOM 4456 OH2 TIP3 458 71.014 45.738 30.362 1.00 0.00 WT1 O ATOM 4457 H1 TIP3 458 70.840 46.485 29.789 1.00 0.00 WT1 H ATOM 4458 H2 TIP3 458 70.156 45.337 30.500 1.00 0.00 WT1 H ATOM 4459 OH2 TIP3 459 73.913 31.934 44.448 1.00 0.00 WT1 O ATOM 4460 H1 TIP3 459 73.314 31.608 43.776 1.00 0.00 WT1 H ATOM 4461 H2 TIP3 459 74.786 31.753 44.099 1.00 0.00 WT1 H ATOM 4462 OH2 TIP3 460 66.863 32.343 -2.630 1.00 0.00 WT1 O ATOM 4463 H1 TIP3 460 66.132 31.752 -2.811 1.00 0.00 WT1 H ATOM 4464 H2 TIP3 460 67.393 31.878 -1.982 1.00 0.00 WT1 H ATOM 4465 OH2 TIP3 461 74.458 85.386 9.318 1.00 0.00 WT1 O ATOM 4466 H1 TIP3 461 73.987 84.869 9.971 1.00 0.00 WT1 H ATOM 4467 H2 TIP3 461 75.374 85.130 9.425 1.00 0.00 WT1 H ATOM 4468 OH2 TIP3 462 85.089 16.941 -11.877 1.00 0.00 WT1 O ATOM 4469 H1 TIP3 462 85.855 16.392 -12.048 1.00 0.00 WT1 H ATOM 4470 H2 TIP3 462 85.449 17.816 -11.731 1.00 0.00 WT1 H ATOM 4471 OH2 TIP3 463 75.172 26.546 -17.126 1.00 0.00 WT1 O ATOM 4472 H1 TIP3 463 74.917 27.430 -16.862 1.00 0.00 WT1 H ATOM 4473 H2 TIP3 463 76.115 26.603 -17.279 1.00 0.00 WT1 H ATOM 4474 OH2 TIP3 465 26.447 8.904 44.948 1.00 0.00 WT1 O ATOM 4475 H1 TIP3 465 26.893 8.400 45.629 1.00 0.00 WT1 H ATOM 4476 H2 TIP3 465 26.988 8.784 44.168 1.00 0.00 WT1 H ATOM 4477 OH2 TIP3 466 78.508 20.826 9.612 1.00 0.00 WT1 O ATOM 4478 H1 TIP3 466 78.120 20.425 8.834 1.00 0.00 WT1 H ATOM 4479 H2 TIP3 466 78.820 21.679 9.311 1.00 0.00 WT1 H ATOM 4480 OH2 TIP3 467 64.135 28.836 35.683 1.00 0.00 WT1 O ATOM 4481 H1 TIP3 467 63.378 29.238 35.257 1.00 0.00 WT1 H ATOM 4482 H2 TIP3 467 64.507 28.259 35.016 1.00 0.00 WT1 H ATOM 4483 OH2 TIP3 468 35.441 17.204 -1.775 1.00 0.00 WT1 O ATOM 4484 H1 TIP3 468 35.211 17.744 -2.531 1.00 0.00 WT1 H ATOM 4485 H2 TIP3 468 36.300 16.842 -1.991 1.00 0.00 WT1 H ATOM 4486 OH2 TIP3 469 49.223 83.492 20.675 1.00 0.00 WT1 O ATOM 4487 H1 TIP3 469 48.446 82.935 20.630 1.00 0.00 WT1 H ATOM 4488 H2 TIP3 469 49.718 83.153 21.422 1.00 0.00 WT1 H ATOM 4489 OH2 TIP3 470 60.282 70.665 -18.204 1.00 0.00 WT1 O ATOM 4490 H1 TIP3 470 61.021 70.210 -17.800 1.00 0.00 WT1 H ATOM 4491 H2 TIP3 470 60.612 70.949 -19.056 1.00 0.00 WT1 H ATOM 4492 OH2 TIP3 471 32.976 75.718 -10.375 1.00 0.00 WT1 O ATOM 4493 H1 TIP3 471 32.763 75.636 -11.304 1.00 0.00 WT1 H ATOM 4494 H2 TIP3 471 33.787 75.219 -10.270 1.00 0.00 WT1 H ATOM 4495 OH2 TIP3 472 62.382 35.831 -1.011 1.00 0.00 WT1 O ATOM 4496 H1 TIP3 472 62.395 35.834 -1.968 1.00 0.00 WT1 H ATOM 4497 H2 TIP3 472 61.706 36.468 -0.778 1.00 0.00 WT1 H ATOM 4498 OH2 TIP3 473 35.183 49.314 -3.498 1.00 0.00 WT1 O ATOM 4499 H1 TIP3 473 35.524 49.522 -2.628 1.00 0.00 WT1 H ATOM 4500 H2 TIP3 473 35.310 48.370 -3.586 1.00 0.00 WT1 H ATOM 4501 OH2 TIP3 474 50.937 41.979 3.785 1.00 0.00 WT1 O ATOM 4502 H1 TIP3 474 51.103 41.037 3.793 1.00 0.00 WT1 H ATOM 4503 H2 TIP3 474 51.784 42.374 3.989 1.00 0.00 WT1 H ATOM 4504 OH2 TIP3 475 25.670 10.010 -2.229 1.00 0.00 WT1 O ATOM 4505 H1 TIP3 475 24.782 10.146 -2.560 1.00 0.00 WT1 H ATOM 4506 H2 TIP3 475 25.655 10.375 -1.344 1.00 0.00 WT1 H ATOM 4507 OH2 TIP3 476 78.474 37.212 -14.611 1.00 0.00 WT1 O ATOM 4508 H1 TIP3 476 78.979 37.935 -14.984 1.00 0.00 WT1 H ATOM 4509 H2 TIP3 476 79.042 36.848 -13.932 1.00 0.00 WT1 H ATOM 4510 OH2 TIP3 477 28.434 12.980 -7.184 1.00 0.00 WT1 O ATOM 4511 H1 TIP3 477 28.289 13.320 -8.067 1.00 0.00 WT1 H ATOM 4512 H2 TIP3 477 27.568 12.697 -6.891 1.00 0.00 WT1 H ATOM 4513 OH2 TIP3 478 50.873 80.561 48.490 1.00 0.00 WT1 O ATOM 4514 H1 TIP3 478 50.926 81.453 48.148 1.00 0.00 WT1 H ATOM 4515 H2 TIP3 478 50.977 80.002 47.720 1.00 0.00 WT1 H ATOM 4516 OH2 TIP3 479 51.101 7.726 18.707 1.00 0.00 WT1 O ATOM 4517 H1 TIP3 479 50.814 8.254 19.452 1.00 0.00 WT1 H ATOM 4518 H2 TIP3 479 50.821 8.223 17.938 1.00 0.00 WT1 H ATOM 4519 OH2 TIP3 480 69.508 63.237 33.688 1.00 0.00 WT1 O ATOM 4520 H1 TIP3 480 69.494 62.334 33.370 1.00 0.00 WT1 H ATOM 4521 H2 TIP3 480 68.637 63.577 33.482 1.00 0.00 WT1 H ATOM 4522 OH2 TIP3 481 54.962 55.042 66.055 1.00 0.00 WT1 O ATOM 4523 H1 TIP3 481 55.415 54.988 66.896 1.00 0.00 WT1 H ATOM 4524 H2 TIP3 481 54.203 54.467 66.153 1.00 0.00 WT1 H ATOM 4525 OH2 TIP3 482 33.585 92.258 57.290 1.00 0.00 WT1 O ATOM 4526 H1 TIP3 482 33.494 91.387 57.677 1.00 0.00 WT1 H ATOM 4527 H2 TIP3 482 33.985 92.787 57.980 1.00 0.00 WT1 H ATOM 4528 OH2 TIP3 483 53.294 17.570 60.663 1.00 0.00 WT1 O ATOM 4529 H1 TIP3 483 53.112 17.684 59.730 1.00 0.00 WT1 H ATOM 4530 H2 TIP3 483 54.246 17.637 60.732 1.00 0.00 WT1 H ATOM 4531 OH2 TIP3 484 72.279 93.409 17.633 1.00 0.00 WT1 O ATOM 4532 H1 TIP3 484 71.467 93.640 18.084 1.00 0.00 WT1 H ATOM 4533 H2 TIP3 484 72.939 93.377 18.326 1.00 0.00 WT1 H ATOM 4534 OH2 TIP3 485 85.219 86.083 14.914 1.00 0.00 WT1 O ATOM 4535 H1 TIP3 485 85.037 86.811 15.509 1.00 0.00 WT1 H ATOM 4536 H2 TIP3 485 85.901 85.577 15.355 1.00 0.00 WT1 H ATOM 4537 OH2 TIP3 486 46.287 78.471 4.314 1.00 0.00 WT1 O ATOM 4538 H1 TIP3 486 46.611 78.408 3.415 1.00 0.00 WT1 H ATOM 4539 H2 TIP3 486 46.735 77.765 4.780 1.00 0.00 WT1 H ATOM 4540 OH2 TIP3 487 73.180 36.841 -18.778 1.00 0.00 WT1 O ATOM 4541 H1 TIP3 487 72.346 36.405 -18.953 1.00 0.00 WT1 H ATOM 4542 H2 TIP3 487 73.843 36.175 -18.962 1.00 0.00 WT1 H ATOM 4543 OH2 TIP3 488 77.036 59.995 56.054 1.00 0.00 WT1 O ATOM 4544 H1 TIP3 488 77.500 59.170 56.194 1.00 0.00 WT1 H ATOM 4545 H2 TIP3 488 76.565 59.870 55.231 1.00 0.00 WT1 H ATOM 4546 OH2 TIP3 489 33.053 74.218 -18.165 1.00 0.00 WT1 O ATOM 4547 H1 TIP3 489 33.111 74.758 -18.953 1.00 0.00 WT1 H ATOM 4548 H2 TIP3 489 33.316 74.802 -17.454 1.00 0.00 WT1 H ATOM 4549 OH2 TIP3 490 27.451 15.667 -7.196 1.00 0.00 WT1 O ATOM 4550 H1 TIP3 490 28.010 16.230 -7.731 1.00 0.00 WT1 H ATOM 4551 H2 TIP3 490 27.465 16.070 -6.327 1.00 0.00 WT1 H ATOM 4552 OH2 TIP3 491 48.925 18.138 59.157 1.00 0.00 WT1 O ATOM 4553 H1 TIP3 491 48.708 17.775 60.016 1.00 0.00 WT1 H ATOM 4554 H2 TIP3 491 48.692 17.446 58.539 1.00 0.00 WT1 H ATOM 4555 OH2 TIP3 492 71.453 83.102 31.629 1.00 0.00 WT1 O ATOM 4556 H1 TIP3 492 70.834 82.574 31.124 1.00 0.00 WT1 H ATOM 4557 H2 TIP3 492 72.241 83.131 31.086 1.00 0.00 WT1 H ATOM 4558 OH2 TIP3 493 23.366 45.392 -7.774 1.00 0.00 WT1 O ATOM 4559 H1 TIP3 493 23.125 45.119 -6.889 1.00 0.00 WT1 H ATOM 4560 H2 TIP3 493 23.805 46.234 -7.654 1.00 0.00 WT1 H ATOM 4561 OH2 TIP3 494 27.230 11.616 2.300 1.00 0.00 WT1 O ATOM 4562 H1 TIP3 494 27.934 11.507 2.940 1.00 0.00 WT1 H ATOM 4563 H2 TIP3 494 27.387 12.478 1.915 1.00 0.00 WT1 H ATOM 4564 OH2 TIP3 495 54.577 27.519 -2.506 1.00 0.00 WT1 O ATOM 4565 H1 TIP3 495 55.059 28.107 -1.924 1.00 0.00 WT1 H ATOM 4566 H2 TIP3 495 54.676 27.908 -3.375 1.00 0.00 WT1 H ATOM 4567 OH2 TIP3 496 40.829 82.093 11.399 1.00 0.00 WT1 O ATOM 4568 H1 TIP3 496 41.545 82.693 11.613 1.00 0.00 WT1 H ATOM 4569 H2 TIP3 496 41.266 81.290 11.115 1.00 0.00 WT1 H ATOM 4570 OH2 TIP3 497 21.770 80.626 14.413 1.00 0.00 WT1 O ATOM 4571 H1 TIP3 497 22.022 81.081 15.216 1.00 0.00 WT1 H ATOM 4572 H2 TIP3 497 21.372 79.809 14.715 1.00 0.00 WT1 H ATOM 4573 OH2 TIP3 498 68.120 24.645 15.240 1.00 0.00 WT1 O ATOM 4574 H1 TIP3 498 67.216 24.959 15.251 1.00 0.00 WT1 H ATOM 4575 H2 TIP3 498 68.199 24.112 16.031 1.00 0.00 WT1 H ATOM 4576 OH2 TIP3 499 28.679 17.078 14.305 1.00 0.00 WT1 O ATOM 4577 H1 TIP3 499 29.235 16.493 13.791 1.00 0.00 WT1 H ATOM 4578 H2 TIP3 499 29.271 17.766 14.609 1.00 0.00 WT1 H ATOM 4579 OH2 TIP3 500 81.198 69.492 22.818 1.00 0.00 WT1 O ATOM 4580 H1 TIP3 500 81.500 68.946 23.544 1.00 0.00 WT1 H ATOM 4581 H2 TIP3 500 80.274 69.263 22.714 1.00 0.00 WT1 H ATOM 4582 OH2 TIP3 501 44.162 49.021 2.753 1.00 0.00 WT1 O ATOM 4583 H1 TIP3 501 44.974 49.452 2.485 1.00 0.00 WT1 H ATOM 4584 H2 TIP3 501 43.655 49.710 3.183 1.00 0.00 WT1 H ATOM 4585 OH2 TIP3 502 33.877 79.350 47.663 1.00 0.00 WT1 O ATOM 4586 H1 TIP3 502 34.591 78.936 48.148 1.00 0.00 WT1 H ATOM 4587 H2 TIP3 502 33.301 78.626 47.419 1.00 0.00 WT1 H ATOM 4588 OH2 TIP3 503 33.594 11.607 50.859 1.00 0.00 WT1 O ATOM 4589 H1 TIP3 503 33.001 11.201 51.491 1.00 0.00 WT1 H ATOM 4590 H2 TIP3 503 34.141 10.887 50.546 1.00 0.00 WT1 H ATOM 4591 OH2 TIP3 504 63.972 86.026 10.436 1.00 0.00 WT1 O ATOM 4592 H1 TIP3 504 64.566 85.531 9.872 1.00 0.00 WT1 H ATOM 4593 H2 TIP3 504 64.186 85.737 11.323 1.00 0.00 WT1 H ATOM 4594 OH2 TIP3 505 83.239 81.605 4.901 1.00 0.00 WT1 O ATOM 4595 H1 TIP3 505 83.518 81.070 4.158 1.00 0.00 WT1 H ATOM 4596 H2 TIP3 505 83.398 81.052 5.667 1.00 0.00 WT1 H ATOM 4597 OH2 TIP3 506 90.424 1.386 23.010 1.00 0.00 WT1 O ATOM 4598 H1 TIP3 506 91.171 1.464 23.602 1.00 0.00 WT1 H ATOM 4599 H2 TIP3 506 89.832 0.776 23.450 1.00 0.00 WT1 H ATOM 4600 OH2 TIP3 507 58.725 33.576 47.069 1.00 0.00 WT1 O ATOM 4601 H1 TIP3 507 58.411 34.479 47.020 1.00 0.00 WT1 H ATOM 4602 H2 TIP3 507 58.540 33.210 46.204 1.00 0.00 WT1 H ATOM 4603 OH2 TIP3 508 80.024 9.419 37.098 1.00 0.00 WT1 O ATOM 4604 H1 TIP3 508 79.134 9.367 37.447 1.00 0.00 WT1 H ATOM 4605 H2 TIP3 508 80.168 8.569 36.681 1.00 0.00 WT1 H ATOM 4606 OH2 TIP3 509 45.424 65.088 2.893 1.00 0.00 WT1 O ATOM 4607 H1 TIP3 509 45.544 64.208 2.537 1.00 0.00 WT1 H ATOM 4608 H2 TIP3 509 45.569 64.989 3.834 1.00 0.00 WT1 H ATOM 4609 OH2 TIP3 510 44.671 88.443 17.437 1.00 0.00 WT1 O ATOM 4610 H1 TIP3 510 43.954 88.619 16.828 1.00 0.00 WT1 H ATOM 4611 H2 TIP3 510 45.069 87.635 17.114 1.00 0.00 WT1 H ATOM 4612 OH2 TIP3 511 35.581 9.606 38.006 1.00 0.00 WT1 O ATOM 4613 H1 TIP3 511 35.140 10.200 37.399 1.00 0.00 WT1 H ATOM 4614 H2 TIP3 511 36.508 9.833 37.933 1.00 0.00 WT1 H ATOM 4615 OH2 TIP3 512 32.292 14.704 52.339 1.00 0.00 WT1 O ATOM 4616 H1 TIP3 512 32.249 14.550 51.395 1.00 0.00 WT1 H ATOM 4617 H2 TIP3 512 31.379 14.706 52.624 1.00 0.00 WT1 H ATOM 4618 OH2 TIP3 513 28.990 63.248 32.664 1.00 0.00 WT1 O ATOM 4619 H1 TIP3 513 29.249 63.766 31.901 1.00 0.00 WT1 H ATOM 4620 H2 TIP3 513 29.761 62.718 32.866 1.00 0.00 WT1 H ATOM 4621 OH2 TIP3 514 21.625 27.743 34.003 1.00 0.00 WT1 O ATOM 4622 H1 TIP3 514 21.377 28.546 34.461 1.00 0.00 WT1 H ATOM 4623 H2 TIP3 514 21.915 28.039 33.140 1.00 0.00 WT1 H ATOM 4624 OH2 TIP3 515 77.916 47.371 15.841 1.00 0.00 WT1 O ATOM 4625 H1 TIP3 515 77.010 47.550 16.091 1.00 0.00 WT1 H ATOM 4626 H2 TIP3 515 78.173 48.125 15.310 1.00 0.00 WT1 H ATOM 4627 OH2 TIP3 516 74.600 91.153 20.891 1.00 0.00 WT1 O ATOM 4628 H1 TIP3 516 73.824 91.651 21.148 1.00 0.00 WT1 H ATOM 4629 H2 TIP3 516 74.547 91.100 19.937 1.00 0.00 WT1 H ATOM 4630 OH2 TIP3 517 52.739 23.885 60.482 1.00 0.00 WT1 O ATOM 4631 H1 TIP3 517 53.147 23.168 59.997 1.00 0.00 WT1 H ATOM 4632 H2 TIP3 517 52.588 24.564 59.825 1.00 0.00 WT1 H ATOM 4633 OH2 TIP3 518 39.893 86.582 -8.859 1.00 0.00 WT1 O ATOM 4634 H1 TIP3 518 39.763 85.914 -8.186 1.00 0.00 WT1 H ATOM 4635 H2 TIP3 518 40.173 87.359 -8.376 1.00 0.00 WT1 H ATOM 4636 OH2 TIP3 519 49.927 26.887 18.150 1.00 0.00 WT1 O ATOM 4637 H1 TIP3 519 49.997 27.728 18.601 1.00 0.00 WT1 H ATOM 4638 H2 TIP3 519 49.103 26.941 17.667 1.00 0.00 WT1 H ATOM 4639 OH2 TIP3 521 86.047 59.319 29.557 1.00 0.00 WT1 O ATOM 4640 H1 TIP3 521 85.797 59.311 30.481 1.00 0.00 WT1 H ATOM 4641 H2 TIP3 521 86.623 60.079 29.471 1.00 0.00 WT1 H ATOM 4642 OH2 TIP3 522 52.624 2.796 21.621 1.00 0.00 WT1 O ATOM 4643 H1 TIP3 522 51.751 3.187 21.670 1.00 0.00 WT1 H ATOM 4644 H2 TIP3 522 53.150 3.443 21.152 1.00 0.00 WT1 H ATOM 4645 OH2 TIP3 523 78.403 35.629 41.025 1.00 0.00 WT1 O ATOM 4646 H1 TIP3 523 78.895 34.925 41.448 1.00 0.00 WT1 H ATOM 4647 H2 TIP3 523 77.556 35.632 41.471 1.00 0.00 WT1 H ATOM 4648 OH2 TIP3 524 24.601 88.876 50.777 1.00 0.00 WT1 O ATOM 4649 H1 TIP3 524 24.542 89.173 51.685 1.00 0.00 WT1 H ATOM 4650 H2 TIP3 524 23.793 88.383 50.633 1.00 0.00 WT1 H ATOM 4651 OH2 TIP3 525 53.092 75.826 58.495 1.00 0.00 WT1 O ATOM 4652 H1 TIP3 525 52.512 76.546 58.742 1.00 0.00 WT1 H ATOM 4653 H2 TIP3 525 52.709 75.055 58.914 1.00 0.00 WT1 H ATOM 4654 OH2 TIP3 526 76.719 41.976 14.530 1.00 0.00 WT1 O ATOM 4655 H1 TIP3 526 76.139 41.535 13.910 1.00 0.00 WT1 H ATOM 4656 H2 TIP3 526 76.264 42.789 14.749 1.00 0.00 WT1 H ATOM 4657 OH2 TIP3 527 53.762 4.824 16.956 1.00 0.00 WT1 O ATOM 4658 H1 TIP3 527 53.372 4.480 17.760 1.00 0.00 WT1 H ATOM 4659 H2 TIP3 527 53.689 5.774 17.041 1.00 0.00 WT1 H ATOM 4660 OH2 TIP3 528 79.969 77.644 40.307 1.00 0.00 WT1 O ATOM 4661 H1 TIP3 528 80.770 77.322 39.894 1.00 0.00 WT1 H ATOM 4662 H2 TIP3 528 79.421 77.932 39.577 1.00 0.00 WT1 H ATOM 4663 OH2 TIP3 529 34.951 32.631 -11.302 1.00 0.00 WT1 O ATOM 4664 H1 TIP3 529 35.147 31.700 -11.192 1.00 0.00 WT1 H ATOM 4665 H2 TIP3 529 34.349 32.835 -10.586 1.00 0.00 WT1 H ATOM 4666 OH2 TIP3 530 89.035 41.256 -12.659 1.00 0.00 WT1 O ATOM 4667 H1 TIP3 530 88.852 42.196 -12.653 1.00 0.00 WT1 H ATOM 4668 H2 TIP3 530 89.172 41.032 -11.739 1.00 0.00 WT1 H ATOM 4669 OH2 TIP3 531 25.066 62.161 62.834 1.00 0.00 WT1 O ATOM 4670 H1 TIP3 531 24.497 61.415 63.022 1.00 0.00 WT1 H ATOM 4671 H2 TIP3 531 25.422 62.412 63.686 1.00 0.00 WT1 H ATOM 4672 OH2 TIP3 532 82.171 62.194 29.924 1.00 0.00 WT1 O ATOM 4673 H1 TIP3 532 81.443 62.808 29.834 1.00 0.00 WT1 H ATOM 4674 H2 TIP3 532 82.528 62.113 29.040 1.00 0.00 WT1 H ATOM 4675 OH2 TIP3 533 22.430 39.942 -11.367 1.00 0.00 WT1 O ATOM 4676 H1 TIP3 533 21.614 40.370 -11.108 1.00 0.00 WT1 H ATOM 4677 H2 TIP3 533 23.118 40.474 -10.964 1.00 0.00 WT1 H ATOM 4678 OH2 TIP3 534 43.412 16.146 17.473 1.00 0.00 WT1 O ATOM 4679 H1 TIP3 534 44.049 16.277 16.771 1.00 0.00 WT1 H ATOM 4680 H2 TIP3 534 43.569 16.870 18.079 1.00 0.00 WT1 H ATOM 4681 OH2 TIP3 535 39.151 8.686 15.664 1.00 0.00 WT1 O ATOM 4682 H1 TIP3 535 38.334 8.857 16.132 1.00 0.00 WT1 H ATOM 4683 H2 TIP3 535 39.815 8.637 16.351 1.00 0.00 WT1 H ATOM 4684 OH2 TIP3 536 52.045 20.662 56.605 1.00 0.00 WT1 O ATOM 4685 H1 TIP3 536 51.338 21.214 56.938 1.00 0.00 WT1 H ATOM 4686 H2 TIP3 536 51.928 20.669 55.655 1.00 0.00 WT1 H ATOM 4687 OH2 TIP3 537 46.096 42.616 -6.086 1.00 0.00 WT1 O ATOM 4688 H1 TIP3 537 45.863 42.503 -5.165 1.00 0.00 WT1 H ATOM 4689 H2 TIP3 537 45.337 43.049 -6.475 1.00 0.00 WT1 H ATOM 4690 OH2 TIP3 538 69.122 96.646 61.654 1.00 0.00 WT1 O ATOM 4691 H1 TIP3 538 69.264 96.065 62.402 1.00 0.00 WT1 H ATOM 4692 H2 TIP3 538 68.641 96.111 61.023 1.00 0.00 WT1 H ATOM 4693 OH2 TIP3 539 82.509 44.346 35.204 1.00 0.00 WT1 O ATOM 4694 H1 TIP3 539 81.998 44.877 34.593 1.00 0.00 WT1 H ATOM 4695 H2 TIP3 539 82.638 43.514 34.749 1.00 0.00 WT1 H ATOM 4696 OH2 TIP3 540 73.773 28.493 15.375 1.00 0.00 WT1 O ATOM 4697 H1 TIP3 540 74.729 28.441 15.394 1.00 0.00 WT1 H ATOM 4698 H2 TIP3 540 73.587 29.355 15.004 1.00 0.00 WT1 H ATOM 4699 OH2 TIP3 541 46.559 21.042 -11.543 1.00 0.00 WT1 O ATOM 4700 H1 TIP3 541 45.768 20.572 -11.278 1.00 0.00 WT1 H ATOM 4701 H2 TIP3 541 46.264 21.940 -11.697 1.00 0.00 WT1 H ATOM 4702 OH2 TIP3 542 67.022 71.397 15.193 1.00 0.00 WT1 O ATOM 4703 H1 TIP3 542 66.275 71.660 14.655 1.00 0.00 WT1 H ATOM 4704 H2 TIP3 542 66.805 70.514 15.491 1.00 0.00 WT1 H ATOM 4705 OH2 TIP3 543 29.694 71.832 62.997 1.00 0.00 WT1 O ATOM 4706 H1 TIP3 543 28.750 71.975 63.065 1.00 0.00 WT1 H ATOM 4707 H2 TIP3 543 29.822 70.930 63.290 1.00 0.00 WT1 H ATOM 4708 OH2 TIP3 544 57.070 31.773 9.085 1.00 0.00 WT1 O ATOM 4709 H1 TIP3 544 56.430 32.421 9.379 1.00 0.00 WT1 H ATOM 4710 H2 TIP3 544 57.055 31.837 8.130 1.00 0.00 WT1 H ATOM 4711 OH2 TIP3 546 56.260 91.110 64.101 1.00 0.00 WT1 O ATOM 4712 H1 TIP3 546 56.913 91.192 64.796 1.00 0.00 WT1 H ATOM 4713 H2 TIP3 546 56.766 90.867 63.325 1.00 0.00 WT1 H ATOM 4714 OH2 TIP3 547 89.336 14.572 35.146 1.00 0.00 WT1 O ATOM 4715 H1 TIP3 547 88.983 15.444 35.327 1.00 0.00 WT1 H ATOM 4716 H2 TIP3 547 89.879 14.371 35.908 1.00 0.00 WT1 H ATOM 4717 OH2 TIP3 549 40.291 96.397 -13.313 1.00 0.00 WT1 O ATOM 4718 H1 TIP3 549 39.933 97.004 -12.665 1.00 0.00 WT1 H ATOM 4719 H2 TIP3 549 40.202 95.534 -12.910 1.00 0.00 WT1 H ATOM 4720 OH2 TIP3 550 36.745 16.314 -17.879 1.00 0.00 WT1 O ATOM 4721 H1 TIP3 550 36.811 16.315 -16.924 1.00 0.00 WT1 H ATOM 4722 H2 TIP3 550 36.737 17.240 -18.121 1.00 0.00 WT1 H ATOM 4723 OH2 TIP3 551 78.053 71.608 22.020 1.00 0.00 WT1 O ATOM 4724 H1 TIP3 551 77.683 70.875 21.527 1.00 0.00 WT1 H ATOM 4725 H2 TIP3 551 77.557 71.622 22.838 1.00 0.00 WT1 H ATOM 4726 OH2 TIP3 552 87.176 35.243 53.241 1.00 0.00 WT1 O ATOM 4727 H1 TIP3 552 88.036 34.928 52.960 1.00 0.00 WT1 H ATOM 4728 H2 TIP3 552 87.101 34.957 54.151 1.00 0.00 WT1 H ATOM 4729 OH2 TIP3 553 70.183 16.940 -19.743 1.00 0.00 WT1 O ATOM 4730 H1 TIP3 553 69.263 16.679 -19.726 1.00 0.00 WT1 H ATOM 4731 H2 TIP3 553 70.214 17.744 -19.224 1.00 0.00 WT1 H ATOM 4732 OH2 TIP3 554 80.231 32.004 4.178 1.00 0.00 WT1 O ATOM 4733 H1 TIP3 554 79.658 31.728 4.893 1.00 0.00 WT1 H ATOM 4734 H2 TIP3 554 80.375 32.938 4.333 1.00 0.00 WT1 H ATOM 4735 OH2 TIP3 555 80.256 34.041 7.546 1.00 0.00 WT1 O ATOM 4736 H1 TIP3 555 79.421 34.161 7.999 1.00 0.00 WT1 H ATOM 4737 H2 TIP3 555 80.712 34.875 7.662 1.00 0.00 WT1 H ATOM 4738 OH2 TIP3 556 40.066 21.195 60.688 1.00 0.00 WT1 O ATOM 4739 H1 TIP3 556 39.558 20.565 60.175 1.00 0.00 WT1 H ATOM 4740 H2 TIP3 556 40.920 20.779 60.800 1.00 0.00 WT1 H ATOM 4741 OH2 TIP3 557 50.932 67.659 -7.369 1.00 0.00 WT1 O ATOM 4742 H1 TIP3 557 51.172 67.633 -6.442 1.00 0.00 WT1 H ATOM 4743 H2 TIP3 557 51.474 66.985 -7.776 1.00 0.00 WT1 H ATOM 4744 OH2 TIP3 558 81.944 20.979 -11.764 1.00 0.00 WT1 O ATOM 4745 H1 TIP3 558 82.355 20.366 -11.154 1.00 0.00 WT1 H ATOM 4746 H2 TIP3 558 81.452 21.580 -11.205 1.00 0.00 WT1 H ATOM 4747 OH2 TIP3 559 23.078 63.819 6.711 1.00 0.00 WT1 O ATOM 4748 H1 TIP3 559 22.944 63.117 7.348 1.00 0.00 WT1 H ATOM 4749 H2 TIP3 559 22.591 63.536 5.937 1.00 0.00 WT1 H ATOM 4750 OH2 TIP3 560 23.070 43.885 43.286 1.00 0.00 WT1 O ATOM 4751 H1 TIP3 560 22.658 44.749 43.270 1.00 0.00 WT1 H ATOM 4752 H2 TIP3 560 22.543 43.356 42.687 1.00 0.00 WT1 H ATOM 4753 OH2 TIP3 561 83.766 20.017 -17.427 1.00 0.00 WT1 O ATOM 4754 H1 TIP3 561 83.916 19.806 -18.348 1.00 0.00 WT1 H ATOM 4755 H2 TIP3 561 82.893 19.673 -17.241 1.00 0.00 WT1 H ATOM 4756 OH2 TIP3 562 68.737 69.922 22.506 1.00 0.00 WT1 O ATOM 4757 H1 TIP3 562 69.205 69.620 21.728 1.00 0.00 WT1 H ATOM 4758 H2 TIP3 562 67.817 69.733 22.322 1.00 0.00 WT1 H ATOM 4759 OH2 TIP3 563 38.640 68.759 11.735 1.00 0.00 WT1 O ATOM 4760 H1 TIP3 563 39.557 69.034 11.709 1.00 0.00 WT1 H ATOM 4761 H2 TIP3 563 38.672 67.845 12.017 1.00 0.00 WT1 H ATOM 4762 OH2 TIP3 564 84.575 29.493 57.018 1.00 0.00 WT1 O ATOM 4763 H1 TIP3 564 84.444 28.547 56.949 1.00 0.00 WT1 H ATOM 4764 H2 TIP3 564 83.804 29.808 57.489 1.00 0.00 WT1 H ATOM 4765 OH2 TIP3 565 66.683 15.962 30.107 1.00 0.00 WT1 O ATOM 4766 H1 TIP3 565 66.103 16.712 29.977 1.00 0.00 WT1 H ATOM 4767 H2 TIP3 565 67.561 16.342 30.145 1.00 0.00 WT1 H ATOM 4768 OH2 TIP3 567 79.464 31.562 33.316 1.00 0.00 WT1 O ATOM 4769 H1 TIP3 567 78.961 31.295 32.547 1.00 0.00 WT1 H ATOM 4770 H2 TIP3 567 79.041 32.367 33.613 1.00 0.00 WT1 H ATOM 4771 OH2 TIP3 568 41.824 29.791 -3.484 1.00 0.00 WT1 O ATOM 4772 H1 TIP3 568 42.721 29.456 -3.498 1.00 0.00 WT1 H ATOM 4773 H2 TIP3 568 41.277 29.017 -3.616 1.00 0.00 WT1 H ATOM 4774 OH2 TIP3 569 35.022 13.853 11.500 1.00 0.00 WT1 O ATOM 4775 H1 TIP3 569 35.781 13.327 11.251 1.00 0.00 WT1 H ATOM 4776 H2 TIP3 569 35.193 14.106 12.408 1.00 0.00 WT1 H ATOM 4777 OH2 TIP3 570 56.925 19.505 42.979 1.00 0.00 WT1 O ATOM 4778 H1 TIP3 570 57.206 20.398 42.780 1.00 0.00 WT1 H ATOM 4779 H2 TIP3 570 57.740 19.012 43.074 1.00 0.00 WT1 H ATOM 4780 OH2 TIP3 571 56.904 28.977 -10.621 1.00 0.00 WT1 O ATOM 4781 H1 TIP3 571 56.491 28.993 -9.758 1.00 0.00 WT1 H ATOM 4782 H2 TIP3 571 57.841 28.908 -10.438 1.00 0.00 WT1 H ATOM 4783 OH2 TIP3 572 23.534 1.404 -11.974 1.00 0.00 WT1 O ATOM 4784 H1 TIP3 572 22.992 0.986 -12.643 1.00 0.00 WT1 H ATOM 4785 H2 TIP3 572 24.271 0.804 -11.854 1.00 0.00 WT1 H ATOM 4786 OH2 TIP3 573 50.889 35.177 9.113 1.00 0.00 WT1 O ATOM 4787 H1 TIP3 573 51.549 35.007 9.784 1.00 0.00 WT1 H ATOM 4788 H2 TIP3 573 50.693 34.316 8.745 1.00 0.00 WT1 H ATOM 4789 OH2 TIP3 574 70.347 44.953 36.701 1.00 0.00 WT1 O ATOM 4790 H1 TIP3 574 70.857 45.324 35.981 1.00 0.00 WT1 H ATOM 4791 H2 TIP3 574 70.673 45.399 37.482 1.00 0.00 WT1 H ATOM 4792 OH2 TIP3 575 89.409 81.870 10.018 1.00 0.00 WT1 O ATOM 4793 H1 TIP3 575 88.604 82.365 9.865 1.00 0.00 WT1 H ATOM 4794 H2 TIP3 575 89.111 81.029 10.365 1.00 0.00 WT1 H ATOM 4795 OH2 TIP3 576 29.192 42.983 12.088 1.00 0.00 WT1 O ATOM 4796 H1 TIP3 576 29.350 42.889 13.027 1.00 0.00 WT1 H ATOM 4797 H2 TIP3 576 28.325 43.383 12.030 1.00 0.00 WT1 H ATOM 4798 OH2 TIP3 577 31.548 29.867 24.180 1.00 0.00 WT1 O ATOM 4799 H1 TIP3 577 32.161 29.276 23.743 1.00 0.00 WT1 H ATOM 4800 H2 TIP3 577 30.812 29.308 24.429 1.00 0.00 WT1 H ATOM 4801 OH2 TIP3 578 24.125 18.157 4.685 1.00 0.00 WT1 O ATOM 4802 H1 TIP3 578 24.927 17.769 4.335 1.00 0.00 WT1 H ATOM 4803 H2 TIP3 578 24.304 19.097 4.710 1.00 0.00 WT1 H ATOM 4804 OH2 TIP3 579 86.849 36.620 14.226 1.00 0.00 WT1 O ATOM 4805 H1 TIP3 579 85.902 36.634 14.361 1.00 0.00 WT1 H ATOM 4806 H2 TIP3 579 86.987 37.149 13.440 1.00 0.00 WT1 H ATOM 4807 OH2 TIP3 580 35.687 49.011 1.861 1.00 0.00 WT1 O ATOM 4808 H1 TIP3 580 35.561 48.500 2.660 1.00 0.00 WT1 H ATOM 4809 H2 TIP3 580 35.998 49.863 2.167 1.00 0.00 WT1 H ATOM 4810 OH2 TIP3 581 22.466 9.780 9.814 1.00 0.00 WT1 O ATOM 4811 H1 TIP3 581 22.124 9.106 10.400 1.00 0.00 WT1 H ATOM 4812 H2 TIP3 581 22.104 10.599 10.152 1.00 0.00 WT1 H ATOM 4813 OH2 TIP3 582 67.092 73.500 -17.938 1.00 0.00 WT1 O ATOM 4814 H1 TIP3 582 67.344 72.613 -18.195 1.00 0.00 WT1 H ATOM 4815 H2 TIP3 582 66.457 73.770 -18.601 1.00 0.00 WT1 H ATOM 4816 OH2 TIP3 583 21.515 30.956 14.355 1.00 0.00 WT1 O ATOM 4817 H1 TIP3 583 21.968 31.684 14.782 1.00 0.00 WT1 H ATOM 4818 H2 TIP3 583 21.969 30.174 14.669 1.00 0.00 WT1 H ATOM 4819 OH2 TIP3 584 53.087 9.695 -5.360 1.00 0.00 WT1 O ATOM 4820 H1 TIP3 584 53.970 9.437 -5.624 1.00 0.00 WT1 H ATOM 4821 H2 TIP3 584 52.511 9.089 -5.825 1.00 0.00 WT1 H ATOM 4822 OH2 TIP3 585 76.971 82.193 46.801 1.00 0.00 WT1 O ATOM 4823 H1 TIP3 585 77.258 81.745 46.005 1.00 0.00 WT1 H ATOM 4824 H2 TIP3 585 77.781 82.500 47.209 1.00 0.00 WT1 H ATOM 4825 OH2 TIP3 586 33.056 89.925 -13.036 1.00 0.00 WT1 O ATOM 4826 H1 TIP3 586 33.270 89.806 -12.111 1.00 0.00 WT1 H ATOM 4827 H2 TIP3 586 33.815 90.379 -13.401 1.00 0.00 WT1 H ATOM 4828 OH2 TIP3 587 21.859 84.146 41.360 1.00 0.00 WT1 O ATOM 4829 H1 TIP3 587 21.758 84.984 40.909 1.00 0.00 WT1 H ATOM 4830 H2 TIP3 587 20.967 83.889 41.591 1.00 0.00 WT1 H ATOM 4831 OH2 TIP3 588 37.359 70.942 -8.205 1.00 0.00 WT1 O ATOM 4832 H1 TIP3 588 36.524 71.408 -8.198 1.00 0.00 WT1 H ATOM 4833 H2 TIP3 588 37.117 70.016 -8.207 1.00 0.00 WT1 H ATOM 4834 OH2 TIP3 589 40.216 23.278 30.934 1.00 0.00 WT1 O ATOM 4835 H1 TIP3 589 41.042 22.795 30.962 1.00 0.00 WT1 H ATOM 4836 H2 TIP3 589 40.245 23.848 31.703 1.00 0.00 WT1 H ATOM 4837 OH2 TIP3 590 23.264 36.699 50.546 1.00 0.00 WT1 O ATOM 4838 H1 TIP3 590 23.107 36.766 49.604 1.00 0.00 WT1 H ATOM 4839 H2 TIP3 590 22.688 37.358 50.933 1.00 0.00 WT1 H ATOM 4840 OH2 TIP3 591 85.787 75.497 17.835 1.00 0.00 WT1 O ATOM 4841 H1 TIP3 591 84.869 75.555 17.571 1.00 0.00 WT1 H ATOM 4842 H2 TIP3 591 85.828 74.720 18.393 1.00 0.00 WT1 H ATOM 4843 OH2 TIP3 592 27.381 90.624 66.661 1.00 0.00 WT1 O ATOM 4844 H1 TIP3 592 27.677 91.278 66.027 1.00 0.00 WT1 H ATOM 4845 H2 TIP3 592 26.602 90.237 66.261 1.00 0.00 WT1 H ATOM 4846 OH2 TIP3 593 38.742 19.651 16.372 1.00 0.00 WT1 O ATOM 4847 H1 TIP3 593 38.399 18.769 16.233 1.00 0.00 WT1 H ATOM 4848 H2 TIP3 593 39.310 19.569 17.138 1.00 0.00 WT1 H ATOM 4849 OH2 TIP3 594 70.493 74.435 4.922 1.00 0.00 WT1 O ATOM 4850 H1 TIP3 594 69.594 74.357 4.600 1.00 0.00 WT1 H ATOM 4851 H2 TIP3 594 70.420 74.309 5.868 1.00 0.00 WT1 H ATOM 4852 OH2 TIP3 595 68.191 17.057 38.605 1.00 0.00 WT1 O ATOM 4853 H1 TIP3 595 68.397 17.989 38.528 1.00 0.00 WT1 H ATOM 4854 H2 TIP3 595 68.144 16.747 37.701 1.00 0.00 WT1 H ATOM 4855 OH2 TIP3 596 50.580 41.783 -4.999 1.00 0.00 WT1 O ATOM 4856 H1 TIP3 596 50.291 42.691 -4.908 1.00 0.00 WT1 H ATOM 4857 H2 TIP3 596 50.111 41.457 -5.767 1.00 0.00 WT1 H ATOM 4858 OH2 TIP3 597 67.540 83.068 -12.420 1.00 0.00 WT1 O ATOM 4859 H1 TIP3 597 68.464 82.819 -12.389 1.00 0.00 WT1 H ATOM 4860 H2 TIP3 597 67.162 82.501 -13.093 1.00 0.00 WT1 H ATOM 4861 OH2 TIP3 598 34.362 14.760 -12.991 1.00 0.00 WT1 O ATOM 4862 H1 TIP3 598 34.722 14.284 -13.739 1.00 0.00 WT1 H ATOM 4863 H2 TIP3 598 33.677 14.186 -12.649 1.00 0.00 WT1 H ATOM 4864 OH2 TIP3 599 80.390 50.405 40.224 1.00 0.00 WT1 O ATOM 4865 H1 TIP3 599 80.677 49.530 40.488 1.00 0.00 WT1 H ATOM 4866 H2 TIP3 599 79.473 50.292 39.976 1.00 0.00 WT1 H ATOM 4867 OH2 TIP3 600 49.537 30.325 50.928 1.00 0.00 WT1 O ATOM 4868 H1 TIP3 600 49.499 31.205 50.553 1.00 0.00 WT1 H ATOM 4869 H2 TIP3 600 48.627 30.031 50.943 1.00 0.00 WT1 H ATOM 4870 OH2 TIP3 602 25.806 91.093 48.948 1.00 0.00 WT1 O ATOM 4871 H1 TIP3 602 25.578 90.990 48.023 1.00 0.00 WT1 H ATOM 4872 H2 TIP3 602 25.061 90.721 49.421 1.00 0.00 WT1 H ATOM 4873 OH2 TIP3 603 35.351 17.515 34.756 1.00 0.00 WT1 O ATOM 4874 H1 TIP3 603 35.899 18.297 34.685 1.00 0.00 WT1 H ATOM 4875 H2 TIP3 603 35.194 17.249 33.850 1.00 0.00 WT1 H ATOM 4876 OH2 TIP3 604 23.276 67.600 31.361 1.00 0.00 WT1 O ATOM 4877 H1 TIP3 604 22.867 66.739 31.441 1.00 0.00 WT1 H ATOM 4878 H2 TIP3 604 23.375 67.732 30.418 1.00 0.00 WT1 H ATOM 4879 OH2 TIP3 605 50.943 11.948 10.760 1.00 0.00 WT1 O ATOM 4880 H1 TIP3 605 51.743 12.369 11.075 1.00 0.00 WT1 H ATOM 4881 H2 TIP3 605 50.545 12.594 10.177 1.00 0.00 WT1 H ATOM 4882 OH2 TIP3 606 44.691 1.319 59.019 1.00 0.00 WT1 O ATOM 4883 H1 TIP3 606 43.743 1.385 58.912 1.00 0.00 WT1 H ATOM 4884 H2 TIP3 606 44.882 0.389 58.890 1.00 0.00 WT1 H ATOM 4885 OH2 TIP3 607 70.848 79.248 60.863 1.00 0.00 WT1 O ATOM 4886 H1 TIP3 607 70.614 78.777 60.064 1.00 0.00 WT1 H ATOM 4887 H2 TIP3 607 71.786 79.090 60.969 1.00 0.00 WT1 H ATOM 4888 OH2 TIP3 608 29.656 69.239 -7.677 1.00 0.00 WT1 O ATOM 4889 H1 TIP3 608 30.316 68.652 -7.308 1.00 0.00 WT1 H ATOM 4890 H2 TIP3 608 29.992 69.462 -8.545 1.00 0.00 WT1 H ATOM 4891 OH2 TIP3 609 48.002 11.570 44.100 1.00 0.00 WT1 O ATOM 4892 H1 TIP3 609 48.575 10.844 43.853 1.00 0.00 WT1 H ATOM 4893 H2 TIP3 609 47.734 11.958 43.267 1.00 0.00 WT1 H ATOM 4894 OH2 TIP3 610 22.183 28.972 31.705 1.00 0.00 WT1 O ATOM 4895 H1 TIP3 610 21.600 29.279 31.010 1.00 0.00 WT1 H ATOM 4896 H2 TIP3 610 22.909 28.555 31.242 1.00 0.00 WT1 H ATOM 4897 OH2 TIP3 611 37.184 16.248 14.109 1.00 0.00 WT1 O ATOM 4898 H1 TIP3 611 37.719 15.591 13.664 1.00 0.00 WT1 H ATOM 4899 H2 TIP3 611 37.769 16.628 14.766 1.00 0.00 WT1 H ATOM 4900 OH2 TIP3 612 88.004 90.030 32.995 1.00 0.00 WT1 O ATOM 4901 H1 TIP3 612 88.071 89.842 32.059 1.00 0.00 WT1 H ATOM 4902 H2 TIP3 612 87.158 89.664 33.253 1.00 0.00 WT1 H ATOM 4903 OH2 TIP3 613 65.685 24.210 18.950 1.00 0.00 WT1 O ATOM 4904 H1 TIP3 613 65.615 23.987 19.878 1.00 0.00 WT1 H ATOM 4905 H2 TIP3 613 64.932 24.777 18.782 1.00 0.00 WT1 H ATOM 4906 OH2 TIP3 614 69.062 36.453 50.263 1.00 0.00 WT1 O ATOM 4907 H1 TIP3 614 69.631 36.743 50.976 1.00 0.00 WT1 H ATOM 4908 H2 TIP3 614 69.385 36.921 49.493 1.00 0.00 WT1 H ATOM 4909 OH2 TIP3 615 78.237 26.757 40.754 1.00 0.00 WT1 O ATOM 4910 H1 TIP3 615 78.723 27.301 40.134 1.00 0.00 WT1 H ATOM 4911 H2 TIP3 615 77.631 26.255 40.209 1.00 0.00 WT1 H ATOM 4912 OH2 TIP3 616 52.558 79.079 24.900 1.00 0.00 WT1 O ATOM 4913 H1 TIP3 616 53.197 78.419 24.632 1.00 0.00 WT1 H ATOM 4914 H2 TIP3 616 52.109 78.688 25.650 1.00 0.00 WT1 H ATOM 4915 OH2 TIP3 617 84.980 20.813 -9.276 1.00 0.00 WT1 O ATOM 4916 H1 TIP3 617 85.487 21.618 -9.380 1.00 0.00 WT1 H ATOM 4917 H2 TIP3 617 85.102 20.344 -10.102 1.00 0.00 WT1 H ATOM 4918 OH2 TIP3 618 24.043 54.965 1.801 1.00 0.00 WT1 O ATOM 4919 H1 TIP3 618 24.444 55.340 2.586 1.00 0.00 WT1 H ATOM 4920 H2 TIP3 618 23.369 55.597 1.551 1.00 0.00 WT1 H ATOM 4921 OH2 TIP3 619 24.941 26.960 9.330 1.00 0.00 WT1 O ATOM 4922 H1 TIP3 619 24.174 27.124 9.878 1.00 0.00 WT1 H ATOM 4923 H2 TIP3 619 25.634 26.730 9.949 1.00 0.00 WT1 H ATOM 4924 OH2 TIP3 620 78.916 66.648 -3.375 1.00 0.00 WT1 O ATOM 4925 H1 TIP3 620 79.152 66.263 -4.219 1.00 0.00 WT1 H ATOM 4926 H2 TIP3 620 78.331 66.006 -2.974 1.00 0.00 WT1 H ATOM 4927 OH2 TIP3 621 61.481 2.446 14.157 1.00 0.00 WT1 O ATOM 4928 H1 TIP3 621 61.514 2.042 13.290 1.00 0.00 WT1 H ATOM 4929 H2 TIP3 621 61.947 1.834 14.725 1.00 0.00 WT1 H ATOM 4930 OH2 TIP3 622 57.480 78.960 31.393 1.00 0.00 WT1 O ATOM 4931 H1 TIP3 622 57.164 78.363 32.072 1.00 0.00 WT1 H ATOM 4932 H2 TIP3 622 57.627 79.787 31.852 1.00 0.00 WT1 H ATOM 4933 OH2 TIP3 623 40.592 72.653 10.887 1.00 0.00 WT1 O ATOM 4934 H1 TIP3 623 40.325 72.522 11.797 1.00 0.00 WT1 H ATOM 4935 H2 TIP3 623 41.475 72.285 10.841 1.00 0.00 WT1 H ATOM 4936 OH2 TIP3 624 50.147 43.107 7.393 1.00 0.00 WT1 O ATOM 4937 H1 TIP3 624 49.670 43.350 8.187 1.00 0.00 WT1 H ATOM 4938 H2 TIP3 624 50.937 43.646 7.414 1.00 0.00 WT1 H ATOM 4939 OH2 TIP3 625 23.244 20.153 64.591 1.00 0.00 WT1 O ATOM 4940 H1 TIP3 625 24.057 20.466 64.988 1.00 0.00 WT1 H ATOM 4941 H2 TIP3 625 22.607 20.843 64.774 1.00 0.00 WT1 H ATOM 4942 OH2 TIP3 626 26.034 4.121 25.352 1.00 0.00 WT1 O ATOM 4943 H1 TIP3 626 26.315 3.723 24.528 1.00 0.00 WT1 H ATOM 4944 H2 TIP3 626 26.400 3.552 26.029 1.00 0.00 WT1 H ATOM 4945 OH2 TIP3 627 52.921 26.909 50.989 1.00 0.00 WT1 O ATOM 4946 H1 TIP3 627 52.606 26.949 50.085 1.00 0.00 WT1 H ATOM 4947 H2 TIP3 627 52.261 27.386 51.493 1.00 0.00 WT1 H ATOM 4948 OH2 TIP3 628 57.874 28.220 34.426 1.00 0.00 WT1 O ATOM 4949 H1 TIP3 628 57.120 28.784 34.253 1.00 0.00 WT1 H ATOM 4950 H2 TIP3 628 57.878 27.596 33.700 1.00 0.00 WT1 H ATOM 4951 OH2 TIP3 629 72.932 91.463 52.125 1.00 0.00 WT1 O ATOM 4952 H1 TIP3 629 73.309 91.088 52.921 1.00 0.00 WT1 H ATOM 4953 H2 TIP3 629 73.682 91.608 51.549 1.00 0.00 WT1 H ATOM 4954 OH2 TIP3 630 21.371 43.204 -5.856 1.00 0.00 WT1 O ATOM 4955 H1 TIP3 630 20.626 42.993 -5.293 1.00 0.00 WT1 H ATOM 4956 H2 TIP3 630 21.850 43.881 -5.377 1.00 0.00 WT1 H ATOM 4957 OH2 TIP3 631 46.013 26.663 -5.685 1.00 0.00 WT1 O ATOM 4958 H1 TIP3 631 45.792 25.841 -5.248 1.00 0.00 WT1 H ATOM 4959 H2 TIP3 631 45.343 26.763 -6.361 1.00 0.00 WT1 H ATOM 4960 OH2 TIP3 632 54.191 79.346 -19.284 1.00 0.00 WT1 O ATOM 4961 H1 TIP3 632 54.800 79.493 -18.561 1.00 0.00 WT1 H ATOM 4962 H2 TIP3 632 53.341 79.221 -18.861 1.00 0.00 WT1 H ATOM 4963 OH2 TIP3 633 68.971 67.926 39.144 1.00 0.00 WT1 O ATOM 4964 H1 TIP3 633 68.551 67.852 40.001 1.00 0.00 WT1 H ATOM 4965 H2 TIP3 633 68.244 67.954 38.522 1.00 0.00 WT1 H ATOM 4966 OH2 TIP3 634 37.876 94.850 12.251 1.00 0.00 WT1 O ATOM 4967 H1 TIP3 634 38.655 94.666 11.725 1.00 0.00 WT1 H ATOM 4968 H2 TIP3 634 37.516 95.652 11.873 1.00 0.00 WT1 H ATOM 4969 OH2 TIP3 635 88.810 40.292 32.162 1.00 0.00 WT1 O ATOM 4970 H1 TIP3 635 89.004 40.986 31.531 1.00 0.00 WT1 H ATOM 4971 H2 TIP3 635 88.351 39.625 31.651 1.00 0.00 WT1 H ATOM 4972 OH2 TIP3 636 33.102 46.965 43.716 1.00 0.00 WT1 O ATOM 4973 H1 TIP3 636 33.815 47.312 44.252 1.00 0.00 WT1 H ATOM 4974 H2 TIP3 636 32.508 46.554 44.344 1.00 0.00 WT1 H ATOM 4975 OH2 TIP3 637 60.224 31.355 47.713 1.00 0.00 WT1 O ATOM 4976 H1 TIP3 637 59.655 32.108 47.555 1.00 0.00 WT1 H ATOM 4977 H2 TIP3 637 59.625 30.647 47.950 1.00 0.00 WT1 H ATOM 4978 OH2 TIP3 638 57.982 36.480 57.705 1.00 0.00 WT1 O ATOM 4979 H1 TIP3 638 57.230 36.301 57.140 1.00 0.00 WT1 H ATOM 4980 H2 TIP3 638 57.623 36.996 58.427 1.00 0.00 WT1 H ATOM 4981 OH2 TIP3 639 84.216 28.707 6.972 1.00 0.00 WT1 O ATOM 4982 H1 TIP3 639 84.330 29.440 7.577 1.00 0.00 WT1 H ATOM 4983 H2 TIP3 639 83.502 28.981 6.395 1.00 0.00 WT1 H ATOM 4984 OH2 TIP3 640 50.991 30.371 53.284 1.00 0.00 WT1 O ATOM 4985 H1 TIP3 640 51.889 30.165 53.022 1.00 0.00 WT1 H ATOM 4986 H2 TIP3 640 50.451 30.047 52.563 1.00 0.00 WT1 H ATOM 4987 OH2 TIP3 641 62.008 49.250 62.964 1.00 0.00 WT1 O ATOM 4988 H1 TIP3 641 62.061 48.300 63.062 1.00 0.00 WT1 H ATOM 4989 H2 TIP3 641 61.731 49.565 63.824 1.00 0.00 WT1 H ATOM 4990 OH2 TIP3 642 43.533 20.442 -11.003 1.00 0.00 WT1 O ATOM 4991 H1 TIP3 642 43.478 19.573 -11.400 1.00 0.00 WT1 H ATOM 4992 H2 TIP3 642 42.738 20.514 -10.473 1.00 0.00 WT1 H ATOM 4993 OH2 TIP3 643 90.283 37.514 -14.480 1.00 0.00 WT1 O ATOM 4994 H1 TIP3 643 89.910 36.922 -13.827 1.00 0.00 WT1 H ATOM 4995 H2 TIP3 643 90.995 37.960 -14.021 1.00 0.00 WT1 H ATOM 4996 OH2 TIP3 644 80.622 2.537 35.964 1.00 0.00 WT1 O ATOM 4997 H1 TIP3 644 79.839 2.708 35.441 1.00 0.00 WT1 H ATOM 4998 H2 TIP3 644 80.294 2.427 36.857 1.00 0.00 WT1 H ATOM 4999 OH2 TIP3 645 75.030 29.661 9.806 1.00 0.00 WT1 O ATOM 5000 H1 TIP3 645 75.236 30.488 10.240 1.00 0.00 WT1 H ATOM 5001 H2 TIP3 645 75.146 28.997 10.486 1.00 0.00 WT1 H ATOM 5002 OH2 TIP3 646 81.754 57.882 15.860 1.00 0.00 WT1 O ATOM 5003 H1 TIP3 646 82.292 58.673 15.886 1.00 0.00 WT1 H ATOM 5004 H2 TIP3 646 82.384 57.162 15.897 1.00 0.00 WT1 H ATOM 5005 OH2 TIP3 647 67.247 30.908 -0.349 1.00 0.00 WT1 O ATOM 5006 H1 TIP3 647 67.758 30.342 0.229 1.00 0.00 WT1 H ATOM 5007 H2 TIP3 647 66.422 31.046 0.117 1.00 0.00 WT1 H ATOM 5008 OH2 TIP3 648 46.243 49.315 -9.119 1.00 0.00 WT1 O ATOM 5009 H1 TIP3 648 45.917 50.167 -8.830 1.00 0.00 WT1 H ATOM 5010 H2 TIP3 648 47.194 49.420 -9.149 1.00 0.00 WT1 H ATOM 5011 OH2 TIP3 649 73.987 56.385 25.034 1.00 0.00 WT1 O ATOM 5012 H1 TIP3 649 73.065 56.601 25.167 1.00 0.00 WT1 H ATOM 5013 H2 TIP3 649 73.991 55.810 24.269 1.00 0.00 WT1 H ATOM 5014 OH2 TIP3 650 44.724 39.525 21.939 1.00 0.00 WT1 O ATOM 5015 H1 TIP3 650 45.053 38.733 21.514 1.00 0.00 WT1 H ATOM 5016 H2 TIP3 650 45.447 39.818 22.493 1.00 0.00 WT1 H ATOM 5017 OH2 TIP3 651 29.932 9.554 35.377 1.00 0.00 WT1 O ATOM 5018 H1 TIP3 651 30.087 9.609 36.320 1.00 0.00 WT1 H ATOM 5019 H2 TIP3 651 29.122 10.045 35.237 1.00 0.00 WT1 H ATOM 5020 OH2 TIP3 652 56.459 90.922 13.156 1.00 0.00 WT1 O ATOM 5021 H1 TIP3 652 56.239 90.489 13.980 1.00 0.00 WT1 H ATOM 5022 H2 TIP3 652 57.144 91.548 13.388 1.00 0.00 WT1 H ATOM 5023 OH2 TIP3 653 28.169 11.687 10.756 1.00 0.00 WT1 O ATOM 5024 H1 TIP3 653 28.571 12.139 11.498 1.00 0.00 WT1 H ATOM 5025 H2 TIP3 653 28.891 11.535 10.147 1.00 0.00 WT1 H ATOM 5026 OH2 TIP3 654 32.671 86.313 30.790 1.00 0.00 WT1 O ATOM 5027 H1 TIP3 654 32.959 85.454 31.099 1.00 0.00 WT1 H ATOM 5028 H2 TIP3 654 32.380 86.767 31.580 1.00 0.00 WT1 H ATOM 5029 OH2 TIP3 655 31.079 34.706 25.401 1.00 0.00 WT1 O ATOM 5030 H1 TIP3 655 31.432 33.916 24.992 1.00 0.00 WT1 H ATOM 5031 H2 TIP3 655 31.345 34.641 26.318 1.00 0.00 WT1 H ATOM 5032 OH2 TIP3 656 79.312 17.370 60.791 1.00 0.00 WT1 O ATOM 5033 H1 TIP3 656 79.933 17.509 60.076 1.00 0.00 WT1 H ATOM 5034 H2 TIP3 656 78.454 17.527 60.397 1.00 0.00 WT1 H ATOM 5035 OH2 TIP3 657 33.823 24.653 -16.219 1.00 0.00 WT1 O ATOM 5036 H1 TIP3 657 33.971 25.589 -16.351 1.00 0.00 WT1 H ATOM 5037 H2 TIP3 657 34.621 24.236 -16.542 1.00 0.00 WT1 H ATOM 5038 OH2 TIP3 658 32.932 50.387 -1.556 1.00 0.00 WT1 O ATOM 5039 H1 TIP3 658 32.946 50.097 -0.644 1.00 0.00 WT1 H ATOM 5040 H2 TIP3 658 33.787 50.796 -1.690 1.00 0.00 WT1 H ATOM 5041 OH2 TIP3 659 23.522 52.267 57.096 1.00 0.00 WT1 O ATOM 5042 H1 TIP3 659 23.804 51.646 56.424 1.00 0.00 WT1 H ATOM 5043 H2 TIP3 659 22.613 52.029 57.276 1.00 0.00 WT1 H ATOM 5044 OH2 TIP3 660 81.543 68.433 31.442 1.00 0.00 WT1 O ATOM 5045 H1 TIP3 660 81.727 67.494 31.420 1.00 0.00 WT1 H ATOM 5046 H2 TIP3 660 82.262 68.831 30.951 1.00 0.00 WT1 H ATOM 5047 OH2 TIP3 661 28.152 73.363 14.079 1.00 0.00 WT1 O ATOM 5048 H1 TIP3 661 27.873 72.513 13.738 1.00 0.00 WT1 H ATOM 5049 H2 TIP3 661 28.574 73.794 13.335 1.00 0.00 WT1 H ATOM 5050 OH2 TIP3 662 40.137 52.005 10.763 1.00 0.00 WT1 O ATOM 5051 H1 TIP3 662 40.958 52.036 11.254 1.00 0.00 WT1 H ATOM 5052 H2 TIP3 662 39.512 52.479 11.311 1.00 0.00 WT1 H ATOM 5053 OH2 TIP3 663 64.517 21.093 65.015 1.00 0.00 WT1 O ATOM 5054 H1 TIP3 663 65.212 20.566 64.622 1.00 0.00 WT1 H ATOM 5055 H2 TIP3 663 64.844 21.310 65.888 1.00 0.00 WT1 H ATOM 5056 OH2 TIP3 664 53.564 24.298 33.139 1.00 0.00 WT1 O ATOM 5057 H1 TIP3 664 52.672 24.124 32.840 1.00 0.00 WT1 H ATOM 5058 H2 TIP3 664 54.058 23.516 32.893 1.00 0.00 WT1 H ATOM 5059 OH2 TIP3 665 46.604 5.358 -1.907 1.00 0.00 WT1 O ATOM 5060 H1 TIP3 665 47.102 4.587 -2.178 1.00 0.00 WT1 H ATOM 5061 H2 TIP3 665 46.274 5.138 -1.037 1.00 0.00 WT1 H ATOM 5062 OH2 TIP3 666 73.428 49.801 56.560 1.00 0.00 WT1 O ATOM 5063 H1 TIP3 666 73.181 50.615 56.998 1.00 0.00 WT1 H ATOM 5064 H2 TIP3 666 72.962 49.827 55.725 1.00 0.00 WT1 H ATOM 5065 OH2 TIP3 667 50.752 49.469 60.975 1.00 0.00 WT1 O ATOM 5066 H1 TIP3 667 50.504 48.585 60.706 1.00 0.00 WT1 H ATOM 5067 H2 TIP3 667 50.823 49.958 60.155 1.00 0.00 WT1 H ATOM 5068 OH2 TIP3 668 63.775 23.040 54.504 1.00 0.00 WT1 O ATOM 5069 H1 TIP3 668 64.004 23.596 55.249 1.00 0.00 WT1 H ATOM 5070 H2 TIP3 668 64.134 23.497 53.744 1.00 0.00 WT1 H ATOM 5071 OH2 TIP3 669 24.653 78.235 41.131 1.00 0.00 WT1 O ATOM 5072 H1 TIP3 669 23.758 77.898 41.077 1.00 0.00 WT1 H ATOM 5073 H2 TIP3 669 25.207 77.460 41.040 1.00 0.00 WT1 H ATOM 5074 OH2 TIP3 670 78.967 56.957 27.703 1.00 0.00 WT1 O ATOM 5075 H1 TIP3 670 78.246 56.733 27.115 1.00 0.00 WT1 H ATOM 5076 H2 TIP3 670 79.723 57.064 27.125 1.00 0.00 WT1 H ATOM 5077 OH2 TIP3 671 73.706 70.588 27.085 1.00 0.00 WT1 O ATOM 5078 H1 TIP3 671 73.412 69.714 27.341 1.00 0.00 WT1 H ATOM 5079 H2 TIP3 671 73.039 71.178 27.436 1.00 0.00 WT1 H ATOM 5080 OH2 TIP3 672 74.516 27.890 7.748 1.00 0.00 WT1 O ATOM 5081 H1 TIP3 672 73.764 27.536 8.222 1.00 0.00 WT1 H ATOM 5082 H2 TIP3 672 74.919 28.504 8.361 1.00 0.00 WT1 H ATOM 5083 OH2 TIP3 673 88.724 79.316 63.166 1.00 0.00 WT1 O ATOM 5084 H1 TIP3 673 89.614 79.183 63.491 1.00 0.00 WT1 H ATOM 5085 H2 TIP3 673 88.841 79.690 62.293 1.00 0.00 WT1 H ATOM 5086 OH2 TIP3 674 74.859 91.595 40.137 1.00 0.00 WT1 O ATOM 5087 H1 TIP3 674 74.017 91.566 39.682 1.00 0.00 WT1 H ATOM 5088 H2 TIP3 674 74.630 91.723 41.057 1.00 0.00 WT1 H ATOM 5089 OH2 TIP3 675 84.028 28.006 43.793 1.00 0.00 WT1 O ATOM 5090 H1 TIP3 675 83.336 28.213 43.164 1.00 0.00 WT1 H ATOM 5091 H2 TIP3 675 84.707 28.660 43.625 1.00 0.00 WT1 H ATOM 5092 OH2 TIP3 676 38.559 6.929 -8.146 1.00 0.00 WT1 O ATOM 5093 H1 TIP3 676 38.367 6.510 -7.307 1.00 0.00 WT1 H ATOM 5094 H2 TIP3 676 38.329 7.849 -8.013 1.00 0.00 WT1 H ATOM 5095 OH2 TIP3 677 79.737 47.540 1.988 1.00 0.00 WT1 O ATOM 5096 H1 TIP3 677 80.582 47.478 1.543 1.00 0.00 WT1 H ATOM 5097 H2 TIP3 677 79.413 48.413 1.767 1.00 0.00 WT1 H ATOM 5098 OH2 TIP3 679 79.693 41.324 20.120 1.00 0.00 WT1 O ATOM 5099 H1 TIP3 679 80.404 41.638 20.679 1.00 0.00 WT1 H ATOM 5100 H2 TIP3 679 78.894 41.583 20.580 1.00 0.00 WT1 H ATOM 5101 OH2 TIP3 680 68.558 20.057 14.781 1.00 0.00 WT1 O ATOM 5102 H1 TIP3 680 68.907 19.220 14.474 1.00 0.00 WT1 H ATOM 5103 H2 TIP3 680 68.308 19.892 15.691 1.00 0.00 WT1 H ATOM 5104 OH2 TIP3 681 55.178 72.573 40.719 1.00 0.00 WT1 O ATOM 5105 H1 TIP3 681 54.635 72.897 41.437 1.00 0.00 WT1 H ATOM 5106 H2 TIP3 681 54.973 71.640 40.665 1.00 0.00 WT1 H ATOM 5107 OH2 TIP3 682 46.337 90.174 7.224 1.00 0.00 WT1 O ATOM 5108 H1 TIP3 682 47.261 90.413 7.294 1.00 0.00 WT1 H ATOM 5109 H2 TIP3 682 46.161 89.666 8.016 1.00 0.00 WT1 H ATOM 5110 OH2 TIP3 683 20.986 45.846 2.034 1.00 0.00 WT1 O ATOM 5111 H1 TIP3 683 21.331 46.363 2.762 1.00 0.00 WT1 H ATOM 5112 H2 TIP3 683 21.688 45.230 1.823 1.00 0.00 WT1 H ATOM 5113 OH2 TIP3 684 87.387 13.452 -0.585 1.00 0.00 WT1 O ATOM 5114 H1 TIP3 684 87.948 13.932 0.025 1.00 0.00 WT1 H ATOM 5115 H2 TIP3 684 86.520 13.842 -0.471 1.00 0.00 WT1 H ATOM 5116 OH2 TIP3 685 84.021 73.646 52.015 1.00 0.00 WT1 O ATOM 5117 H1 TIP3 685 83.761 74.551 52.183 1.00 0.00 WT1 H ATOM 5118 H2 TIP3 685 83.276 73.123 52.309 1.00 0.00 WT1 H ATOM 5119 OH2 TIP3 686 41.395 16.876 15.085 1.00 0.00 WT1 O ATOM 5120 H1 TIP3 686 41.952 17.654 15.063 1.00 0.00 WT1 H ATOM 5121 H2 TIP3 686 41.908 16.202 14.639 1.00 0.00 WT1 H ATOM 5122 OH2 TIP3 687 26.907 37.625 2.027 1.00 0.00 WT1 O ATOM 5123 H1 TIP3 687 27.659 37.750 2.606 1.00 0.00 WT1 H ATOM 5124 H2 TIP3 687 26.779 38.478 1.613 1.00 0.00 WT1 H ATOM 5125 OH2 TIP3 689 28.260 42.529 20.611 1.00 0.00 WT1 O ATOM 5126 H1 TIP3 689 28.727 42.578 19.777 1.00 0.00 WT1 H ATOM 5127 H2 TIP3 689 27.499 41.979 20.428 1.00 0.00 WT1 H ATOM 5128 OH2 TIP3 690 62.693 20.180 -9.458 1.00 0.00 WT1 O ATOM 5129 H1 TIP3 690 61.873 20.376 -9.005 1.00 0.00 WT1 H ATOM 5130 H2 TIP3 690 63.311 19.976 -8.756 1.00 0.00 WT1 H ATOM 5131 OH2 TIP3 692 79.128 41.982 59.540 1.00 0.00 WT1 O ATOM 5132 H1 TIP3 692 79.903 42.534 59.647 1.00 0.00 WT1 H ATOM 5133 H2 TIP3 692 78.823 42.167 58.652 1.00 0.00 WT1 H ATOM 5134 OH2 TIP3 693 68.052 95.843 -2.991 1.00 0.00 WT1 O ATOM 5135 H1 TIP3 693 67.595 95.642 -3.807 1.00 0.00 WT1 H ATOM 5136 H2 TIP3 693 68.034 96.798 -2.934 1.00 0.00 WT1 H ATOM 5137 OH2 TIP3 694 58.902 58.013 44.050 1.00 0.00 WT1 O ATOM 5138 H1 TIP3 694 59.286 58.058 43.174 1.00 0.00 WT1 H ATOM 5139 H2 TIP3 694 58.078 58.494 43.976 1.00 0.00 WT1 H ATOM 5140 OH2 TIP3 695 51.933 10.222 53.800 1.00 0.00 WT1 O ATOM 5141 H1 TIP3 695 51.245 9.954 53.190 1.00 0.00 WT1 H ATOM 5142 H2 TIP3 695 51.872 9.597 54.521 1.00 0.00 WT1 H ATOM 5143 OH2 TIP3 696 57.773 54.604 -16.059 1.00 0.00 WT1 O ATOM 5144 H1 TIP3 696 57.636 55.551 -16.036 1.00 0.00 WT1 H ATOM 5145 H2 TIP3 696 57.372 54.284 -15.251 1.00 0.00 WT1 H ATOM 5146 OH2 TIP3 697 26.241 91.496 13.250 1.00 0.00 WT1 O ATOM 5147 H1 TIP3 697 25.700 90.741 13.019 1.00 0.00 WT1 H ATOM 5148 H2 TIP3 697 25.914 91.772 14.106 1.00 0.00 WT1 H ATOM 5149 OH2 TIP3 698 72.491 33.578 63.905 1.00 0.00 WT1 O ATOM 5150 H1 TIP3 698 71.548 33.418 63.950 1.00 0.00 WT1 H ATOM 5151 H2 TIP3 698 72.573 34.532 63.929 1.00 0.00 WT1 H ATOM 5152 OH2 TIP3 699 24.053 70.191 4.800 1.00 0.00 WT1 O ATOM 5153 H1 TIP3 699 24.909 69.779 4.681 1.00 0.00 WT1 H ATOM 5154 H2 TIP3 699 24.253 71.096 5.039 1.00 0.00 WT1 H ATOM 5155 OH2 TIP3 700 74.729 41.321 -12.507 1.00 0.00 WT1 O ATOM 5156 H1 TIP3 700 74.888 41.446 -11.571 1.00 0.00 WT1 H ATOM 5157 H2 TIP3 700 75.394 40.690 -12.781 1.00 0.00 WT1 H ATOM 5158 OH2 TIP3 701 66.885 56.976 35.843 1.00 0.00 WT1 O ATOM 5159 H1 TIP3 701 67.000 56.168 36.345 1.00 0.00 WT1 H ATOM 5160 H2 TIP3 701 66.009 56.900 35.464 1.00 0.00 WT1 H ATOM 5161 OH2 TIP3 702 41.621 43.807 20.963 1.00 0.00 WT1 O ATOM 5162 H1 TIP3 702 42.461 43.690 21.407 1.00 0.00 WT1 H ATOM 5163 H2 TIP3 702 41.042 44.164 21.636 1.00 0.00 WT1 H ATOM 5164 OH2 TIP3 703 56.487 22.272 10.518 1.00 0.00 WT1 O ATOM 5165 H1 TIP3 703 56.269 21.353 10.670 1.00 0.00 WT1 H ATOM 5166 H2 TIP3 703 55.708 22.753 10.797 1.00 0.00 WT1 H ATOM 5167 OH2 TIP3 704 50.603 17.417 18.544 1.00 0.00 WT1 O ATOM 5168 H1 TIP3 704 49.776 17.893 18.472 1.00 0.00 WT1 H ATOM 5169 H2 TIP3 704 51.254 18.009 18.167 1.00 0.00 WT1 H ATOM 5170 OH2 TIP3 705 46.229 41.341 30.714 1.00 0.00 WT1 O ATOM 5171 H1 TIP3 705 46.406 40.866 29.903 1.00 0.00 WT1 H ATOM 5172 H2 TIP3 705 46.919 42.002 30.761 1.00 0.00 WT1 H ATOM 5173 OH2 TIP3 706 45.416 20.346 -16.102 1.00 0.00 WT1 O ATOM 5174 H1 TIP3 706 45.950 20.288 -15.310 1.00 0.00 WT1 H ATOM 5175 H2 TIP3 706 45.096 21.248 -16.110 1.00 0.00 WT1 H ATOM 5176 OH2 TIP3 707 83.368 77.312 -5.991 1.00 0.00 WT1 O ATOM 5177 H1 TIP3 707 83.337 76.706 -5.250 1.00 0.00 WT1 H ATOM 5178 H2 TIP3 707 83.017 78.133 -5.644 1.00 0.00 WT1 H ATOM 5179 OH2 TIP3 708 64.841 61.728 -1.469 1.00 0.00 WT1 O ATOM 5180 H1 TIP3 708 65.249 62.419 -0.948 1.00 0.00 WT1 H ATOM 5181 H2 TIP3 708 65.002 60.926 -0.972 1.00 0.00 WT1 H ATOM 5182 OH2 TIP3 709 45.893 92.624 0.747 1.00 0.00 WT1 O ATOM 5183 H1 TIP3 709 45.035 93.040 0.836 1.00 0.00 WT1 H ATOM 5184 H2 TIP3 709 46.025 92.547 -0.197 1.00 0.00 WT1 H ATOM 5185 OH2 TIP3 710 64.837 23.513 -5.890 1.00 0.00 WT1 O ATOM 5186 H1 TIP3 710 65.245 24.365 -5.737 1.00 0.00 WT1 H ATOM 5187 H2 TIP3 710 65.516 22.877 -5.666 1.00 0.00 WT1 H ATOM 5188 OH2 TIP3 711 84.079 28.152 1.256 1.00 0.00 WT1 O ATOM 5189 H1 TIP3 711 84.018 28.915 1.832 1.00 0.00 WT1 H ATOM 5190 H2 TIP3 711 83.864 28.489 0.387 1.00 0.00 WT1 H ATOM 5191 OH2 TIP3 712 72.184 38.211 55.950 1.00 0.00 WT1 O ATOM 5192 H1 TIP3 712 71.493 37.842 55.400 1.00 0.00 WT1 H ATOM 5193 H2 TIP3 712 72.348 37.540 56.612 1.00 0.00 WT1 H ATOM 5194 OH2 TIP3 713 62.192 16.271 18.579 1.00 0.00 WT1 O ATOM 5195 H1 TIP3 713 63.021 16.647 18.876 1.00 0.00 WT1 H ATOM 5196 H2 TIP3 713 61.557 16.980 18.683 1.00 0.00 WT1 H ATOM 5197 OH2 TIP3 714 55.839 49.123 44.779 1.00 0.00 WT1 O ATOM 5198 H1 TIP3 714 55.876 48.965 45.723 1.00 0.00 WT1 H ATOM 5199 H2 TIP3 714 56.669 49.555 44.575 1.00 0.00 WT1 H ATOM 5200 OH2 TIP3 715 65.386 45.535 36.576 1.00 0.00 WT1 O ATOM 5201 H1 TIP3 715 66.100 45.028 36.188 1.00 0.00 WT1 H ATOM 5202 H2 TIP3 715 65.576 46.441 36.332 1.00 0.00 WT1 H ATOM 5203 OH2 TIP3 716 73.311 5.572 60.068 1.00 0.00 WT1 O ATOM 5204 H1 TIP3 716 72.753 5.909 59.367 1.00 0.00 WT1 H ATOM 5205 H2 TIP3 716 73.359 4.630 59.905 1.00 0.00 WT1 H ATOM 5206 OH2 TIP3 717 49.451 45.387 42.581 1.00 0.00 WT1 O ATOM 5207 H1 TIP3 717 48.660 45.874 42.350 1.00 0.00 WT1 H ATOM 5208 H2 TIP3 717 49.172 44.472 42.605 1.00 0.00 WT1 H ATOM 5209 OH2 TIP3 718 55.235 28.386 30.998 1.00 0.00 WT1 O ATOM 5210 H1 TIP3 718 55.740 27.677 31.396 1.00 0.00 WT1 H ATOM 5211 H2 TIP3 718 54.330 28.214 31.261 1.00 0.00 WT1 H ATOM 5212 OH2 TIP3 719 74.421 86.077 52.401 1.00 0.00 WT1 O ATOM 5213 H1 TIP3 719 75.120 86.628 52.047 1.00 0.00 WT1 H ATOM 5214 H2 TIP3 719 74.189 85.492 51.680 1.00 0.00 WT1 H ATOM 5215 OH2 TIP3 720 30.714 91.917 21.017 1.00 0.00 WT1 O ATOM 5216 H1 TIP3 720 30.287 92.591 20.489 1.00 0.00 WT1 H ATOM 5217 H2 TIP3 720 30.108 91.177 20.998 1.00 0.00 WT1 H ATOM 5218 OH2 TIP3 721 60.782 12.163 14.544 1.00 0.00 WT1 O ATOM 5219 H1 TIP3 721 60.678 12.885 13.925 1.00 0.00 WT1 H ATOM 5220 H2 TIP3 721 60.403 11.407 14.096 1.00 0.00 WT1 H ATOM 5221 OH2 TIP3 722 65.993 33.945 -13.388 1.00 0.00 WT1 O ATOM 5222 H1 TIP3 722 65.859 33.952 -14.336 1.00 0.00 WT1 H ATOM 5223 H2 TIP3 722 66.162 34.859 -13.162 1.00 0.00 WT1 H ATOM 5224 OH2 TIP3 723 74.708 32.828 3.228 1.00 0.00 WT1 O ATOM 5225 H1 TIP3 723 75.390 32.170 3.362 1.00 0.00 WT1 H ATOM 5226 H2 TIP3 723 74.414 33.051 4.112 1.00 0.00 WT1 H ATOM 5227 OH2 TIP3 724 41.993 35.125 10.801 1.00 0.00 WT1 O ATOM 5228 H1 TIP3 724 41.349 35.583 11.341 1.00 0.00 WT1 H ATOM 5229 H2 TIP3 724 42.733 34.971 11.388 1.00 0.00 WT1 H ATOM 5230 OH2 TIP3 725 85.340 94.205 0.019 1.00 0.00 WT1 O ATOM 5231 H1 TIP3 725 85.851 94.221 -0.790 1.00 0.00 WT1 H ATOM 5232 H2 TIP3 725 84.732 93.475 -0.096 1.00 0.00 WT1 H ATOM 5233 OH2 TIP3 726 36.080 65.127 20.520 1.00 0.00 WT1 O ATOM 5234 H1 TIP3 726 36.199 64.965 21.455 1.00 0.00 WT1 H ATOM 5235 H2 TIP3 726 36.334 66.042 20.400 1.00 0.00 WT1 H ATOM 5236 OH2 TIP3 728 37.129 80.890 57.582 1.00 0.00 WT1 O ATOM 5237 H1 TIP3 728 37.619 81.676 57.338 1.00 0.00 WT1 H ATOM 5238 H2 TIP3 728 36.421 80.840 56.939 1.00 0.00 WT1 H ATOM 5239 OH2 TIP3 729 49.556 23.584 39.050 1.00 0.00 WT1 O ATOM 5240 H1 TIP3 729 50.082 22.836 38.768 1.00 0.00 WT1 H ATOM 5241 H2 TIP3 729 49.650 23.598 40.003 1.00 0.00 WT1 H ATOM 5242 OH2 TIP3 730 51.074 86.936 57.934 1.00 0.00 WT1 O ATOM 5243 H1 TIP3 730 51.137 86.280 57.239 1.00 0.00 WT1 H ATOM 5244 H2 TIP3 730 51.536 87.699 57.586 1.00 0.00 WT1 H ATOM 5245 OH2 TIP3 731 84.570 29.421 67.002 1.00 0.00 WT1 O ATOM 5246 H1 TIP3 731 84.295 29.356 66.088 1.00 0.00 WT1 H ATOM 5247 H2 TIP3 731 84.008 30.100 67.375 1.00 0.00 WT1 H ATOM 5248 OH2 TIP3 732 26.711 44.516 -9.828 1.00 0.00 WT1 O ATOM 5249 H1 TIP3 732 27.284 45.212 -9.506 1.00 0.00 WT1 H ATOM 5250 H2 TIP3 732 26.372 44.098 -9.036 1.00 0.00 WT1 H ATOM 5251 OH2 TIP3 733 83.902 51.241 -15.237 1.00 0.00 WT1 O ATOM 5252 H1 TIP3 733 84.775 50.856 -15.158 1.00 0.00 WT1 H ATOM 5253 H2 TIP3 733 83.323 50.611 -14.808 1.00 0.00 WT1 H ATOM 5254 OH2 TIP3 734 35.380 47.853 -6.200 1.00 0.00 WT1 O ATOM 5255 H1 TIP3 734 34.426 47.886 -6.134 1.00 0.00 WT1 H ATOM 5256 H2 TIP3 734 35.608 48.592 -6.764 1.00 0.00 WT1 H ATOM 5257 OH2 TIP3 735 90.701 38.471 41.033 1.00 0.00 WT1 O ATOM 5258 H1 TIP3 735 89.922 38.879 40.654 1.00 0.00 WT1 H ATOM 5259 H2 TIP3 735 90.760 38.840 41.915 1.00 0.00 WT1 H ATOM 5260 OH2 TIP3 736 72.811 34.971 25.305 1.00 0.00 WT1 O ATOM 5261 H1 TIP3 736 73.619 34.953 25.818 1.00 0.00 WT1 H ATOM 5262 H2 TIP3 736 72.113 34.887 25.954 1.00 0.00 WT1 H ATOM 5263 OH2 TIP3 737 85.646 56.988 17.676 1.00 0.00 WT1 O ATOM 5264 H1 TIP3 737 85.044 56.253 17.556 1.00 0.00 WT1 H ATOM 5265 H2 TIP3 737 86.116 57.050 16.845 1.00 0.00 WT1 H ATOM 5266 OH2 TIP3 738 75.413 73.450 33.897 1.00 0.00 WT1 O ATOM 5267 H1 TIP3 738 74.786 74.078 33.539 1.00 0.00 WT1 H ATOM 5268 H2 TIP3 738 75.406 72.723 33.274 1.00 0.00 WT1 H ATOM 5269 OH2 TIP3 739 26.886 26.030 41.346 1.00 0.00 WT1 O ATOM 5270 H1 TIP3 739 27.370 26.830 41.551 1.00 0.00 WT1 H ATOM 5271 H2 TIP3 739 26.112 26.332 40.872 1.00 0.00 WT1 H ATOM 5272 OH2 TIP3 740 68.774 41.193 11.230 1.00 0.00 WT1 O ATOM 5273 H1 TIP3 740 67.854 41.119 11.483 1.00 0.00 WT1 H ATOM 5274 H2 TIP3 740 69.246 41.255 12.061 1.00 0.00 WT1 H ATOM 5275 OH2 TIP3 741 56.238 56.559 13.779 1.00 0.00 WT1 O ATOM 5276 H1 TIP3 741 56.459 56.466 14.706 1.00 0.00 WT1 H ATOM 5277 H2 TIP3 741 55.833 57.423 13.714 1.00 0.00 WT1 H ATOM 5278 OH2 TIP3 742 63.125 70.975 24.514 1.00 0.00 WT1 O ATOM 5279 H1 TIP3 742 62.555 70.351 24.964 1.00 0.00 WT1 H ATOM 5280 H2 TIP3 742 62.785 71.834 24.765 1.00 0.00 WT1 H ATOM 5281 OH2 TIP3 743 27.011 91.489 3.554 1.00 0.00 WT1 O ATOM 5282 H1 TIP3 743 27.695 92.101 3.283 1.00 0.00 WT1 H ATOM 5283 H2 TIP3 743 27.086 91.452 4.508 1.00 0.00 WT1 H ATOM 5284 OH2 TIP3 744 80.224 50.060 -6.821 1.00 0.00 WT1 O ATOM 5285 H1 TIP3 744 80.730 50.611 -6.224 1.00 0.00 WT1 H ATOM 5286 H2 TIP3 744 79.629 49.572 -6.250 1.00 0.00 WT1 H ATOM 5287 OH2 TIP3 745 73.801 29.498 66.530 1.00 0.00 WT1 O ATOM 5288 H1 TIP3 745 73.563 30.420 66.430 1.00 0.00 WT1 H ATOM 5289 H2 TIP3 745 72.985 29.022 66.378 1.00 0.00 WT1 H ATOM 5290 OH2 TIP3 746 73.130 7.957 -15.210 1.00 0.00 WT1 O ATOM 5291 H1 TIP3 746 72.667 8.753 -15.474 1.00 0.00 WT1 H ATOM 5292 H2 TIP3 746 74.037 8.236 -15.086 1.00 0.00 WT1 H ATOM 5293 OH2 TIP3 747 57.002 78.399 55.301 1.00 0.00 WT1 O ATOM 5294 H1 TIP3 747 56.381 77.676 55.391 1.00 0.00 WT1 H ATOM 5295 H2 TIP3 747 56.460 79.154 55.071 1.00 0.00 WT1 H ATOM 5296 OH2 TIP3 748 88.387 23.712 60.837 1.00 0.00 WT1 O ATOM 5297 H1 TIP3 748 88.270 24.614 60.537 1.00 0.00 WT1 H ATOM 5298 H2 TIP3 748 89.249 23.460 60.506 1.00 0.00 WT1 H ATOM 5299 OH2 TIP3 749 44.252 63.214 12.703 1.00 0.00 WT1 O ATOM 5300 H1 TIP3 749 45.111 63.235 13.125 1.00 0.00 WT1 H ATOM 5301 H2 TIP3 749 44.260 63.963 12.106 1.00 0.00 WT1 H ATOM 5302 OH2 TIP3 750 90.703 62.884 -5.587 1.00 0.00 WT1 O ATOM 5303 H1 TIP3 750 90.240 62.908 -6.424 1.00 0.00 WT1 H ATOM 5304 H2 TIP3 750 90.009 62.863 -4.928 1.00 0.00 WT1 H ATOM 5305 OH2 TIP3 751 52.973 53.729 1.861 1.00 0.00 WT1 O ATOM 5306 H1 TIP3 751 52.930 54.411 2.532 1.00 0.00 WT1 H ATOM 5307 H2 TIP3 751 52.663 52.938 2.303 1.00 0.00 WT1 H ATOM 5308 OH2 TIP3 752 50.356 65.237 17.500 1.00 0.00 WT1 O ATOM 5309 H1 TIP3 752 49.471 65.573 17.358 1.00 0.00 WT1 H ATOM 5310 H2 TIP3 752 50.807 65.938 17.970 1.00 0.00 WT1 H ATOM 5311 OH2 TIP3 753 88.066 52.266 27.575 1.00 0.00 WT1 O ATOM 5312 H1 TIP3 753 87.592 51.515 27.216 1.00 0.00 WT1 H ATOM 5313 H2 TIP3 753 87.638 53.028 27.185 1.00 0.00 WT1 H ATOM 5314 OH2 TIP3 754 38.664 31.151 27.242 1.00 0.00 WT1 O ATOM 5315 H1 TIP3 754 38.704 31.666 26.436 1.00 0.00 WT1 H ATOM 5316 H2 TIP3 754 39.060 31.714 27.907 1.00 0.00 WT1 H ATOM 5317 OH2 TIP3 755 48.860 54.380 40.332 1.00 0.00 WT1 O ATOM 5318 H1 TIP3 755 48.942 55.127 39.738 1.00 0.00 WT1 H ATOM 5319 H2 TIP3 755 48.568 54.762 41.159 1.00 0.00 WT1 H ATOM 5320 OH2 TIP3 756 67.296 89.320 25.501 1.00 0.00 WT1 O ATOM 5321 H1 TIP3 756 67.808 88.562 25.784 1.00 0.00 WT1 H ATOM 5322 H2 TIP3 756 67.674 89.563 24.655 1.00 0.00 WT1 H ATOM 5323 OH2 TIP3 757 39.050 54.353 -4.757 1.00 0.00 WT1 O ATOM 5324 H1 TIP3 757 39.823 54.566 -5.278 1.00 0.00 WT1 H ATOM 5325 H2 TIP3 757 39.173 54.832 -3.937 1.00 0.00 WT1 H ATOM 5326 OH2 TIP3 758 82.762 18.688 62.810 1.00 0.00 WT1 O ATOM 5327 H1 TIP3 758 83.596 19.032 63.128 1.00 0.00 WT1 H ATOM 5328 H2 TIP3 758 82.484 18.069 63.485 1.00 0.00 WT1 H ATOM 5329 OH2 TIP3 759 78.306 57.827 55.177 1.00 0.00 WT1 O ATOM 5330 H1 TIP3 759 79.148 58.185 54.894 1.00 0.00 WT1 H ATOM 5331 H2 TIP3 759 77.890 57.525 54.370 1.00 0.00 WT1 H ATOM 5332 OH2 TIP3 760 52.636 50.457 62.729 1.00 0.00 WT1 O ATOM 5333 H1 TIP3 760 52.280 50.341 61.848 1.00 0.00 WT1 H ATOM 5334 H2 TIP3 760 52.244 49.750 63.241 1.00 0.00 WT1 H ATOM 5335 OH2 TIP3 761 30.045 40.874 10.577 1.00 0.00 WT1 O ATOM 5336 H1 TIP3 761 29.930 41.221 9.692 1.00 0.00 WT1 H ATOM 5337 H2 TIP3 761 29.816 41.604 11.152 1.00 0.00 WT1 H ATOM 5338 OH2 TIP3 762 74.492 3.213 66.815 1.00 0.00 WT1 O ATOM 5339 H1 TIP3 762 74.638 3.986 67.361 1.00 0.00 WT1 H ATOM 5340 H2 TIP3 762 73.583 2.966 66.988 1.00 0.00 WT1 H ATOM 5341 OH2 TIP3 763 28.261 87.654 -6.228 1.00 0.00 WT1 O ATOM 5342 H1 TIP3 763 28.762 88.376 -5.848 1.00 0.00 WT1 H ATOM 5343 H2 TIP3 763 28.521 86.887 -5.718 1.00 0.00 WT1 H ATOM 5344 OH2 TIP3 764 76.015 59.360 9.964 1.00 0.00 WT1 O ATOM 5345 H1 TIP3 764 75.785 60.195 10.371 1.00 0.00 WT1 H ATOM 5346 H2 TIP3 764 75.578 58.701 10.505 1.00 0.00 WT1 H ATOM 5347 OH2 TIP3 765 28.097 30.919 -2.508 1.00 0.00 WT1 O ATOM 5348 H1 TIP3 765 27.517 30.901 -3.269 1.00 0.00 WT1 H ATOM 5349 H2 TIP3 765 28.810 31.505 -2.762 1.00 0.00 WT1 H ATOM 5350 OH2 TIP3 766 40.912 4.744 5.343 1.00 0.00 WT1 O ATOM 5351 H1 TIP3 766 41.103 5.231 6.144 1.00 0.00 WT1 H ATOM 5352 H2 TIP3 766 41.544 5.074 4.705 1.00 0.00 WT1 H ATOM 5353 OH2 TIP3 767 21.464 38.467 -5.716 1.00 0.00 WT1 O ATOM 5354 H1 TIP3 767 21.635 37.612 -5.322 1.00 0.00 WT1 H ATOM 5355 H2 TIP3 767 22.251 38.979 -5.530 1.00 0.00 WT1 H ATOM 5356 OH2 TIP3 768 45.336 82.796 23.778 1.00 0.00 WT1 O ATOM 5357 H1 TIP3 768 44.768 82.756 23.009 1.00 0.00 WT1 H ATOM 5358 H2 TIP3 768 44.837 83.302 24.419 1.00 0.00 WT1 H ATOM 5359 OH2 TIP3 769 70.186 44.623 -19.687 1.00 0.00 WT1 O ATOM 5360 H1 TIP3 769 69.402 44.119 -19.469 1.00 0.00 WT1 H ATOM 5361 H2 TIP3 769 70.052 45.471 -19.264 1.00 0.00 WT1 H ATOM 5362 OH2 TIP3 770 64.694 33.422 -8.893 1.00 0.00 WT1 O ATOM 5363 H1 TIP3 770 65.257 34.170 -9.094 1.00 0.00 WT1 H ATOM 5364 H2 TIP3 770 65.098 33.017 -8.125 1.00 0.00 WT1 H ATOM 5365 OH2 TIP3 771 83.299 39.911 19.034 1.00 0.00 WT1 O ATOM 5366 H1 TIP3 771 83.454 40.613 19.667 1.00 0.00 WT1 H ATOM 5367 H2 TIP3 771 82.497 40.169 18.581 1.00 0.00 WT1 H ATOM 5368 OH2 TIP3 772 42.039 42.013 47.428 1.00 0.00 WT1 O ATOM 5369 H1 TIP3 772 42.051 41.077 47.629 1.00 0.00 WT1 H ATOM 5370 H2 TIP3 772 42.309 42.065 46.511 1.00 0.00 WT1 H ATOM 5371 OH2 TIP3 773 78.591 60.799 45.340 1.00 0.00 WT1 O ATOM 5372 H1 TIP3 773 78.635 61.285 46.163 1.00 0.00 WT1 H ATOM 5373 H2 TIP3 773 79.261 60.121 45.425 1.00 0.00 WT1 H ATOM 5374 OH2 TIP3 774 38.216 64.617 -10.973 1.00 0.00 WT1 O ATOM 5375 H1 TIP3 774 37.831 63.750 -10.848 1.00 0.00 WT1 H ATOM 5376 H2 TIP3 774 38.815 64.722 -10.233 1.00 0.00 WT1 H ATOM 5377 OH2 TIP3 775 73.443 19.552 12.065 1.00 0.00 WT1 O ATOM 5378 H1 TIP3 775 72.955 19.977 12.770 1.00 0.00 WT1 H ATOM 5379 H2 TIP3 775 73.140 19.988 11.268 1.00 0.00 WT1 H ATOM 5380 OH2 TIP3 776 51.158 49.889 -1.696 1.00 0.00 WT1 O ATOM 5381 H1 TIP3 776 50.306 49.854 -1.262 1.00 0.00 WT1 H ATOM 5382 H2 TIP3 776 51.782 50.046 -0.988 1.00 0.00 WT1 H ATOM 5383 OH2 TIP3 777 58.512 90.913 33.687 1.00 0.00 WT1 O ATOM 5384 H1 TIP3 777 57.743 90.610 33.205 1.00 0.00 WT1 H ATOM 5385 H2 TIP3 777 58.829 91.664 33.185 1.00 0.00 WT1 H ATOM 5386 OH2 TIP3 778 79.618 7.410 40.413 1.00 0.00 WT1 O ATOM 5387 H1 TIP3 778 78.880 7.967 40.167 1.00 0.00 WT1 H ATOM 5388 H2 TIP3 778 80.288 8.021 40.720 1.00 0.00 WT1 H ATOM 5389 OH2 TIP3 780 66.379 27.780 -17.459 1.00 0.00 WT1 O ATOM 5390 H1 TIP3 780 66.175 28.703 -17.608 1.00 0.00 WT1 H ATOM 5391 H2 TIP3 780 65.670 27.464 -16.899 1.00 0.00 WT1 H ATOM 5392 OH2 TIP3 781 55.725 69.374 9.866 1.00 0.00 WT1 O ATOM 5393 H1 TIP3 781 56.434 69.883 10.257 1.00 0.00 WT1 H ATOM 5394 H2 TIP3 781 55.810 68.504 10.256 1.00 0.00 WT1 H ATOM 5395 OH2 TIP3 782 72.659 23.859 19.456 1.00 0.00 WT1 O ATOM 5396 H1 TIP3 782 72.843 24.790 19.328 1.00 0.00 WT1 H ATOM 5397 H2 TIP3 782 71.785 23.735 19.086 1.00 0.00 WT1 H ATOM 5398 OH2 TIP3 783 57.243 65.065 -18.023 1.00 0.00 WT1 O ATOM 5399 H1 TIP3 783 57.006 64.168 -18.257 1.00 0.00 WT1 H ATOM 5400 H2 TIP3 783 56.983 65.150 -17.106 1.00 0.00 WT1 H ATOM 5401 OH2 TIP3 784 70.561 52.314 20.610 1.00 0.00 WT1 O ATOM 5402 H1 TIP3 784 69.905 52.703 20.032 1.00 0.00 WT1 H ATOM 5403 H2 TIP3 784 71.259 52.968 20.656 1.00 0.00 WT1 H ATOM 5404 OH2 TIP3 785 33.426 82.014 -7.986 1.00 0.00 WT1 O ATOM 5405 H1 TIP3 785 33.872 81.343 -7.471 1.00 0.00 WT1 H ATOM 5406 H2 TIP3 785 32.594 82.152 -7.533 1.00 0.00 WT1 H ATOM 5407 OH2 TIP3 786 54.392 92.395 36.957 1.00 0.00 WT1 O ATOM 5408 H1 TIP3 786 54.964 91.804 36.468 1.00 0.00 WT1 H ATOM 5409 H2 TIP3 786 53.570 91.914 37.047 1.00 0.00 WT1 H ATOM 5410 OH2 TIP3 787 89.026 31.369 13.979 1.00 0.00 WT1 O ATOM 5411 H1 TIP3 787 88.458 31.346 14.749 1.00 0.00 WT1 H ATOM 5412 H2 TIP3 787 89.893 31.576 14.327 1.00 0.00 WT1 H ATOM 5413 OH2 TIP3 788 77.170 54.583 -0.591 1.00 0.00 WT1 O ATOM 5414 H1 TIP3 788 77.367 55.504 -0.416 1.00 0.00 WT1 H ATOM 5415 H2 TIP3 788 76.251 54.483 -0.344 1.00 0.00 WT1 H ATOM 5416 OH2 TIP3 789 69.192 49.806 4.872 1.00 0.00 WT1 O ATOM 5417 H1 TIP3 789 68.599 49.068 4.733 1.00 0.00 WT1 H ATOM 5418 H2 TIP3 789 68.626 50.514 5.181 1.00 0.00 WT1 H ATOM 5419 OH2 TIP3 790 77.435 28.563 34.059 1.00 0.00 WT1 O ATOM 5420 H1 TIP3 790 76.590 28.958 34.274 1.00 0.00 WT1 H ATOM 5421 H2 TIP3 790 78.082 29.176 34.408 1.00 0.00 WT1 H ATOM 5422 OH2 TIP3 791 69.278 58.334 36.560 1.00 0.00 WT1 O ATOM 5423 H1 TIP3 791 68.550 58.018 36.025 1.00 0.00 WT1 H ATOM 5424 H2 TIP3 791 68.871 58.921 37.198 1.00 0.00 WT1 H ATOM 5425 OH2 TIP3 792 82.824 72.115 24.167 1.00 0.00 WT1 O ATOM 5426 H1 TIP3 792 82.128 71.891 24.785 1.00 0.00 WT1 H ATOM 5427 H2 TIP3 792 83.446 71.391 24.233 1.00 0.00 WT1 H ATOM 5428 OH2 TIP3 793 62.032 20.928 44.390 1.00 0.00 WT1 O ATOM 5429 H1 TIP3 793 61.173 20.720 44.022 1.00 0.00 WT1 H ATOM 5430 H2 TIP3 793 62.060 21.885 44.408 1.00 0.00 WT1 H ATOM 5431 OH2 TIP3 794 50.117 24.812 -0.297 1.00 0.00 WT1 O ATOM 5432 H1 TIP3 794 50.108 24.558 0.626 1.00 0.00 WT1 H ATOM 5433 H2 TIP3 794 49.928 25.750 -0.290 1.00 0.00 WT1 H ATOM 5434 OH2 TIP3 795 35.976 26.901 38.102 1.00 0.00 WT1 O ATOM 5435 H1 TIP3 795 35.844 25.966 38.258 1.00 0.00 WT1 H ATOM 5436 H2 TIP3 795 35.094 27.273 38.114 1.00 0.00 WT1 H ATOM 5437 OH2 TIP3 796 75.480 42.947 44.224 1.00 0.00 WT1 O ATOM 5438 H1 TIP3 796 75.158 43.835 44.069 1.00 0.00 WT1 H ATOM 5439 H2 TIP3 796 76.431 43.045 44.287 1.00 0.00 WT1 H ATOM 5440 OH2 TIP3 797 40.897 81.533 5.102 1.00 0.00 WT1 O ATOM 5441 H1 TIP3 797 40.116 81.344 5.622 1.00 0.00 WT1 H ATOM 5442 H2 TIP3 797 40.633 82.251 4.526 1.00 0.00 WT1 H ATOM 5443 OH2 TIP3 798 66.909 24.429 38.610 1.00 0.00 WT1 O ATOM 5444 H1 TIP3 798 67.766 24.010 38.540 1.00 0.00 WT1 H ATOM 5445 H2 TIP3 798 66.620 24.238 39.502 1.00 0.00 WT1 H ATOM 5446 OH2 TIP3 800 43.203 60.245 55.699 1.00 0.00 WT1 O ATOM 5447 H1 TIP3 800 43.632 60.132 54.851 1.00 0.00 WT1 H ATOM 5448 H2 TIP3 800 42.422 60.763 55.506 1.00 0.00 WT1 H ATOM 5449 OH2 TIP3 801 23.098 43.033 9.784 1.00 0.00 WT1 O ATOM 5450 H1 TIP3 801 23.715 42.586 10.364 1.00 0.00 WT1 H ATOM 5451 H2 TIP3 801 23.630 43.682 9.324 1.00 0.00 WT1 H ATOM 5452 OH2 TIP3 802 49.433 89.143 52.748 1.00 0.00 WT1 O ATOM 5453 H1 TIP3 802 48.971 88.833 51.970 1.00 0.00 WT1 H ATOM 5454 H2 TIP3 802 49.009 88.689 53.476 1.00 0.00 WT1 H ATOM 5455 OH2 TIP3 803 42.990 65.924 -15.693 1.00 0.00 WT1 O ATOM 5456 H1 TIP3 803 42.995 66.873 -15.816 1.00 0.00 WT1 H ATOM 5457 H2 TIP3 803 42.079 65.668 -15.836 1.00 0.00 WT1 H ATOM 5458 OH2 TIP3 804 87.218 39.706 5.956 1.00 0.00 WT1 O ATOM 5459 H1 TIP3 804 87.172 40.056 5.066 1.00 0.00 WT1 H ATOM 5460 H2 TIP3 804 87.967 39.110 5.941 1.00 0.00 WT1 H ATOM 5461 OH2 TIP3 805 22.145 5.576 36.589 1.00 0.00 WT1 O ATOM 5462 H1 TIP3 805 22.241 4.755 36.105 1.00 0.00 WT1 H ATOM 5463 H2 TIP3 805 21.730 5.322 37.413 1.00 0.00 WT1 H ATOM 5464 OH2 TIP3 806 77.397 23.999 56.048 1.00 0.00 WT1 O ATOM 5465 H1 TIP3 806 77.501 23.927 55.099 1.00 0.00 WT1 H ATOM 5466 H2 TIP3 806 77.196 24.923 56.198 1.00 0.00 WT1 H ATOM 5467 OH2 TIP3 807 51.611 39.134 4.068 1.00 0.00 WT1 O ATOM 5468 H1 TIP3 807 52.546 38.928 4.070 1.00 0.00 WT1 H ATOM 5469 H2 TIP3 807 51.180 38.293 4.219 1.00 0.00 WT1 H ATOM 5470 OH2 TIP3 808 86.378 9.087 6.114 1.00 0.00 WT1 O ATOM 5471 H1 TIP3 808 85.509 8.707 6.241 1.00 0.00 WT1 H ATOM 5472 H2 TIP3 808 86.976 8.341 6.156 1.00 0.00 WT1 H ATOM 5473 OH2 TIP3 809 81.158 65.874 -1.414 1.00 0.00 WT1 O ATOM 5474 H1 TIP3 809 80.228 66.102 -1.439 1.00 0.00 WT1 H ATOM 5475 H2 TIP3 809 81.214 65.045 -1.890 1.00 0.00 WT1 H ATOM 5476 OH2 TIP3 810 53.189 32.834 12.280 1.00 0.00 WT1 O ATOM 5477 H1 TIP3 810 52.406 32.285 12.302 1.00 0.00 WT1 H ATOM 5478 H2 TIP3 810 53.380 33.018 13.199 1.00 0.00 WT1 H ATOM 5479 OH2 TIP3 812 82.185 51.356 -5.552 1.00 0.00 WT1 O ATOM 5480 H1 TIP3 812 82.462 51.660 -4.688 1.00 0.00 WT1 H ATOM 5481 H2 TIP3 812 82.995 51.081 -5.981 1.00 0.00 WT1 H ATOM 5482 OH2 TIP3 813 39.285 34.060 49.104 1.00 0.00 WT1 O ATOM 5483 H1 TIP3 813 39.369 34.446 48.232 1.00 0.00 WT1 H ATOM 5484 H2 TIP3 813 39.764 33.234 49.048 1.00 0.00 WT1 H ATOM 5485 OH2 TIP3 814 30.878 20.122 24.179 1.00 0.00 WT1 O ATOM 5486 H1 TIP3 814 31.120 20.813 23.562 1.00 0.00 WT1 H ATOM 5487 H2 TIP3 814 31.591 19.486 24.118 1.00 0.00 WT1 H ATOM 5488 OH2 TIP3 815 73.883 56.336 52.542 1.00 0.00 WT1 O ATOM 5489 H1 TIP3 815 73.616 55.761 51.824 1.00 0.00 WT1 H ATOM 5490 H2 TIP3 815 73.124 56.362 53.124 1.00 0.00 WT1 H ATOM 5491 OH2 TIP3 816 42.903 31.186 1.273 1.00 0.00 WT1 O ATOM 5492 H1 TIP3 816 43.549 31.626 0.719 1.00 0.00 WT1 H ATOM 5493 H2 TIP3 816 42.608 31.864 1.880 1.00 0.00 WT1 H ATOM 5494 OH2 TIP3 817 36.981 95.953 63.969 1.00 0.00 WT1 O ATOM 5495 H1 TIP3 817 37.035 95.674 64.883 1.00 0.00 WT1 H ATOM 5496 H2 TIP3 817 37.889 95.953 63.664 1.00 0.00 WT1 H ATOM 5497 OH2 TIP3 818 35.371 63.950 47.786 1.00 0.00 WT1 O ATOM 5498 H1 TIP3 818 36.173 64.422 47.561 1.00 0.00 WT1 H ATOM 5499 H2 TIP3 818 35.658 63.051 47.943 1.00 0.00 WT1 H ATOM 5500 OH2 TIP3 819 86.551 62.624 13.021 1.00 0.00 WT1 O ATOM 5501 H1 TIP3 819 87.043 63.193 12.429 1.00 0.00 WT1 H ATOM 5502 H2 TIP3 819 85.870 62.237 12.471 1.00 0.00 WT1 H ATOM 5503 OH2 TIP3 820 25.753 41.434 -12.388 1.00 0.00 WT1 O ATOM 5504 H1 TIP3 820 25.647 42.373 -12.536 1.00 0.00 WT1 H ATOM 5505 H2 TIP3 820 25.444 41.295 -11.493 1.00 0.00 WT1 H ATOM 5506 OH2 TIP3 821 71.596 1.537 26.439 1.00 0.00 WT1 O ATOM 5507 H1 TIP3 821 71.370 1.557 25.509 1.00 0.00 WT1 H ATOM 5508 H2 TIP3 821 72.300 0.891 26.501 1.00 0.00 WT1 H ATOM 5509 OH2 TIP3 822 71.503 81.530 -10.129 1.00 0.00 WT1 O ATOM 5510 H1 TIP3 822 72.155 82.206 -9.943 1.00 0.00 WT1 H ATOM 5511 H2 TIP3 822 71.085 81.361 -9.285 1.00 0.00 WT1 H ATOM 5512 OH2 TIP3 823 27.661 61.238 31.134 1.00 0.00 WT1 O ATOM 5513 H1 TIP3 823 27.805 60.364 30.771 1.00 0.00 WT1 H ATOM 5514 H2 TIP3 823 28.541 61.596 31.252 1.00 0.00 WT1 H ATOM 5515 OH2 TIP3 824 41.504 85.401 9.504 1.00 0.00 WT1 O ATOM 5516 H1 TIP3 824 42.398 85.645 9.743 1.00 0.00 WT1 H ATOM 5517 H2 TIP3 824 41.499 85.418 8.547 1.00 0.00 WT1 H ATOM 5518 OH2 TIP3 825 28.544 27.254 56.350 1.00 0.00 WT1 O ATOM 5519 H1 TIP3 825 29.324 27.759 56.578 1.00 0.00 WT1 H ATOM 5520 H2 TIP3 825 28.869 26.550 55.790 1.00 0.00 WT1 H ATOM 5521 OH2 TIP3 826 45.908 49.749 10.230 1.00 0.00 WT1 O ATOM 5522 H1 TIP3 826 45.910 50.669 10.494 1.00 0.00 WT1 H ATOM 5523 H2 TIP3 826 46.800 49.585 9.924 1.00 0.00 WT1 H ATOM 5524 OH2 TIP3 827 64.598 31.818 -1.110 1.00 0.00 WT1 O ATOM 5525 H1 TIP3 827 63.748 32.059 -0.744 1.00 0.00 WT1 H ATOM 5526 H2 TIP3 827 65.211 32.445 -0.726 1.00 0.00 WT1 H ATOM 5527 OH2 TIP3 828 62.001 93.098 21.501 1.00 0.00 WT1 O ATOM 5528 H1 TIP3 828 62.422 92.402 22.006 1.00 0.00 WT1 H ATOM 5529 H2 TIP3 828 61.725 93.737 22.157 1.00 0.00 WT1 H ATOM 5530 OH2 TIP3 829 48.915 29.675 1.947 1.00 0.00 WT1 O ATOM 5531 H1 TIP3 829 49.346 30.367 2.449 1.00 0.00 WT1 H ATOM 5532 H2 TIP3 829 48.956 28.906 2.515 1.00 0.00 WT1 H ATOM 5533 OH2 TIP3 830 56.300 44.443 -1.495 1.00 0.00 WT1 O ATOM 5534 H1 TIP3 830 56.017 44.652 -0.605 1.00 0.00 WT1 H ATOM 5535 H2 TIP3 830 56.745 43.600 -1.414 1.00 0.00 WT1 H ATOM 5536 OH2 TIP3 831 61.658 1.814 27.953 1.00 0.00 WT1 O ATOM 5537 H1 TIP3 831 60.773 1.956 28.288 1.00 0.00 WT1 H ATOM 5538 H2 TIP3 831 62.203 2.425 28.449 1.00 0.00 WT1 H ATOM 5539 OH2 TIP3 832 61.232 43.855 -5.467 1.00 0.00 WT1 O ATOM 5540 H1 TIP3 832 60.897 44.303 -4.691 1.00 0.00 WT1 H ATOM 5541 H2 TIP3 832 61.858 44.470 -5.849 1.00 0.00 WT1 H ATOM 5542 OH2 TIP3 833 54.823 40.357 35.807 1.00 0.00 WT1 O ATOM 5543 H1 TIP3 833 54.787 39.748 35.069 1.00 0.00 WT1 H ATOM 5544 H2 TIP3 833 53.983 40.815 35.781 1.00 0.00 WT1 H ATOM 5545 OH2 TIP3 834 34.075 17.110 61.638 1.00 0.00 WT1 O ATOM 5546 H1 TIP3 834 34.309 18.038 61.620 1.00 0.00 WT1 H ATOM 5547 H2 TIP3 834 34.091 16.876 62.566 1.00 0.00 WT1 H ATOM 5548 OH2 TIP3 835 80.747 87.821 -12.985 1.00 0.00 WT1 O ATOM 5549 H1 TIP3 835 81.600 88.136 -13.284 1.00 0.00 WT1 H ATOM 5550 H2 TIP3 835 80.114 88.316 -13.504 1.00 0.00 WT1 H ATOM 5551 OH2 TIP3 836 73.384 71.179 42.258 1.00 0.00 WT1 O ATOM 5552 H1 TIP3 836 74.138 71.176 41.670 1.00 0.00 WT1 H ATOM 5553 H2 TIP3 836 73.047 70.283 42.222 1.00 0.00 WT1 H ATOM 5554 OH2 TIP3 837 60.807 62.525 26.283 1.00 0.00 WT1 O ATOM 5555 H1 TIP3 837 60.695 63.245 25.663 1.00 0.00 WT1 H ATOM 5556 H2 TIP3 837 59.974 62.055 26.259 1.00 0.00 WT1 H ATOM 5557 OH2 TIP3 838 56.250 86.789 34.864 1.00 0.00 WT1 O ATOM 5558 H1 TIP3 838 57.105 86.526 34.524 1.00 0.00 WT1 H ATOM 5559 H2 TIP3 838 56.356 86.778 35.815 1.00 0.00 WT1 H ATOM 5560 OH2 TIP3 839 67.788 30.334 59.805 1.00 0.00 WT1 O ATOM 5561 H1 TIP3 839 67.694 31.238 60.104 1.00 0.00 WT1 H ATOM 5562 H2 TIP3 839 66.961 29.914 60.043 1.00 0.00 WT1 H ATOM 5563 OH2 TIP3 840 43.180 37.422 -17.126 1.00 0.00 WT1 O ATOM 5564 H1 TIP3 840 43.777 36.855 -17.614 1.00 0.00 WT1 H ATOM 5565 H2 TIP3 840 43.530 37.430 -16.235 1.00 0.00 WT1 H ATOM 5566 OH2 TIP3 841 55.203 3.246 51.706 1.00 0.00 WT1 O ATOM 5567 H1 TIP3 841 54.464 2.748 52.053 1.00 0.00 WT1 H ATOM 5568 H2 TIP3 841 55.967 2.894 52.164 1.00 0.00 WT1 H ATOM 5569 OH2 TIP3 842 29.387 82.521 65.249 1.00 0.00 WT1 O ATOM 5570 H1 TIP3 842 28.913 83.179 64.741 1.00 0.00 WT1 H ATOM 5571 H2 TIP3 842 30.083 82.222 64.664 1.00 0.00 WT1 H ATOM 5572 OH2 TIP3 843 61.349 85.618 -11.114 1.00 0.00 WT1 O ATOM 5573 H1 TIP3 843 61.234 85.976 -10.233 1.00 0.00 WT1 H ATOM 5574 H2 TIP3 843 61.079 84.703 -11.038 1.00 0.00 WT1 H ATOM 5575 OH2 TIP3 844 38.803 89.048 21.852 1.00 0.00 WT1 O ATOM 5576 H1 TIP3 844 39.707 89.359 21.800 1.00 0.00 WT1 H ATOM 5577 H2 TIP3 844 38.293 89.827 22.071 1.00 0.00 WT1 H ATOM 5578 OH2 TIP3 845 50.680 49.567 49.019 1.00 0.00 WT1 O ATOM 5579 H1 TIP3 845 50.035 48.992 48.607 1.00 0.00 WT1 H ATOM 5580 H2 TIP3 845 50.961 50.154 48.318 1.00 0.00 WT1 H ATOM 5581 OH2 TIP3 846 32.544 57.303 58.998 1.00 0.00 WT1 O ATOM 5582 H1 TIP3 846 32.247 57.446 58.099 1.00 0.00 WT1 H ATOM 5583 H2 TIP3 846 31.745 57.111 59.488 1.00 0.00 WT1 H ATOM 5584 OH2 TIP3 847 65.618 60.189 14.905 1.00 0.00 WT1 O ATOM 5585 H1 TIP3 847 65.164 60.958 15.249 1.00 0.00 WT1 H ATOM 5586 H2 TIP3 847 65.371 59.479 15.498 1.00 0.00 WT1 H ATOM 5587 OH2 TIP3 848 84.183 46.779 8.138 1.00 0.00 WT1 O ATOM 5588 H1 TIP3 848 84.561 47.563 7.740 1.00 0.00 WT1 H ATOM 5589 H2 TIP3 848 84.021 46.190 7.402 1.00 0.00 WT1 H ATOM 5590 OH2 TIP3 849 55.948 3.675 38.473 1.00 0.00 WT1 O ATOM 5591 H1 TIP3 849 55.197 3.081 38.496 1.00 0.00 WT1 H ATOM 5592 H2 TIP3 849 55.673 4.429 38.995 1.00 0.00 WT1 H ATOM 5593 OH2 TIP3 850 71.766 74.127 -17.514 1.00 0.00 WT1 O ATOM 5594 H1 TIP3 850 71.598 73.186 -17.554 1.00 0.00 WT1 H ATOM 5595 H2 TIP3 850 72.720 74.202 -17.553 1.00 0.00 WT1 H ATOM 5596 OH2 TIP3 851 34.908 53.865 19.423 1.00 0.00 WT1 O ATOM 5597 H1 TIP3 851 35.595 54.515 19.278 1.00 0.00 WT1 H ATOM 5598 H2 TIP3 851 34.988 53.262 18.684 1.00 0.00 WT1 H ATOM 5599 OH2 TIP3 852 79.368 26.969 11.381 1.00 0.00 WT1 O ATOM 5600 H1 TIP3 852 78.533 26.525 11.525 1.00 0.00 WT1 H ATOM 5601 H2 TIP3 852 79.937 26.644 12.078 1.00 0.00 WT1 H ATOM 5602 OH2 TIP3 853 66.522 19.243 26.845 1.00 0.00 WT1 O ATOM 5603 H1 TIP3 853 66.052 18.504 27.232 1.00 0.00 WT1 H ATOM 5604 H2 TIP3 853 66.026 20.014 27.121 1.00 0.00 WT1 H ATOM 5605 OH2 TIP3 854 47.348 3.606 64.351 1.00 0.00 WT1 O ATOM 5606 H1 TIP3 854 46.724 2.955 64.671 1.00 0.00 WT1 H ATOM 5607 H2 TIP3 854 46.872 4.081 63.670 1.00 0.00 WT1 H ATOM 5608 OH2 TIP3 855 55.412 69.282 29.844 1.00 0.00 WT1 O ATOM 5609 H1 TIP3 855 54.778 69.790 29.338 1.00 0.00 WT1 H ATOM 5610 H2 TIP3 855 55.784 68.666 29.213 1.00 0.00 WT1 H ATOM 5611 OH2 TIP3 856 51.614 52.518 -2.178 1.00 0.00 WT1 O ATOM 5612 H1 TIP3 856 51.217 51.647 -2.167 1.00 0.00 WT1 H ATOM 5613 H2 TIP3 856 50.990 53.072 -1.709 1.00 0.00 WT1 H ATOM 5614 OH2 TIP3 857 27.567 53.344 24.647 1.00 0.00 WT1 O ATOM 5615 H1 TIP3 857 27.744 52.719 25.350 1.00 0.00 WT1 H ATOM 5616 H2 TIP3 857 27.737 52.854 23.842 1.00 0.00 WT1 H ATOM 5617 OH2 TIP3 858 37.157 84.848 -2.679 1.00 0.00 WT1 O ATOM 5618 H1 TIP3 858 37.245 84.594 -3.598 1.00 0.00 WT1 H ATOM 5619 H2 TIP3 858 37.017 85.795 -2.704 1.00 0.00 WT1 H ATOM 5620 OH2 TIP3 859 82.118 34.444 64.235 1.00 0.00 WT1 O ATOM 5621 H1 TIP3 859 83.052 34.239 64.251 1.00 0.00 WT1 H ATOM 5622 H2 TIP3 859 82.072 35.372 64.468 1.00 0.00 WT1 H ATOM 5623 OH2 TIP3 860 65.714 64.204 2.405 1.00 0.00 WT1 O ATOM 5624 H1 TIP3 860 65.061 64.313 3.096 1.00 0.00 WT1 H ATOM 5625 H2 TIP3 860 65.200 64.123 1.601 1.00 0.00 WT1 H ATOM 5626 OH2 TIP3 861 42.632 76.515 19.463 1.00 0.00 WT1 O ATOM 5627 H1 TIP3 861 42.622 76.757 20.389 1.00 0.00 WT1 H ATOM 5628 H2 TIP3 861 42.650 75.558 19.465 1.00 0.00 WT1 H ATOM 5629 OH2 TIP3 862 38.618 91.106 24.994 1.00 0.00 WT1 O ATOM 5630 H1 TIP3 862 38.947 90.214 25.102 1.00 0.00 WT1 H ATOM 5631 H2 TIP3 862 37.725 90.996 24.669 1.00 0.00 WT1 H ATOM 5632 OH2 TIP3 863 56.664 29.511 62.180 1.00 0.00 WT1 O ATOM 5633 H1 TIP3 863 56.036 28.891 62.550 1.00 0.00 WT1 H ATOM 5634 H2 TIP3 863 56.165 29.994 61.522 1.00 0.00 WT1 H ATOM 5635 OH2 TIP3 864 38.377 36.429 61.578 1.00 0.00 WT1 O ATOM 5636 H1 TIP3 864 38.446 37.375 61.709 1.00 0.00 WT1 H ATOM 5637 H2 TIP3 864 38.441 36.312 60.630 1.00 0.00 WT1 H ATOM 5638 OH2 TIP3 865 43.638 32.920 34.483 1.00 0.00 WT1 O ATOM 5639 H1 TIP3 865 43.082 33.546 34.018 1.00 0.00 WT1 H ATOM 5640 H2 TIP3 865 43.974 33.409 35.234 1.00 0.00 WT1 H ATOM 5641 OH2 TIP3 866 81.466 94.115 27.887 1.00 0.00 WT1 O ATOM 5642 H1 TIP3 866 82.187 93.530 28.121 1.00 0.00 WT1 H ATOM 5643 H2 TIP3 866 81.011 94.277 28.714 1.00 0.00 WT1 H ATOM 5644 OH2 TIP3 867 79.763 96.113 60.736 1.00 0.00 WT1 O ATOM 5645 H1 TIP3 867 80.074 96.946 61.091 1.00 0.00 WT1 H ATOM 5646 H2 TIP3 867 80.498 95.784 60.218 1.00 0.00 WT1 H ATOM 5647 OH2 TIP3 869 55.561 47.987 60.897 1.00 0.00 WT1 O ATOM 5648 H1 TIP3 869 54.794 47.678 61.378 1.00 0.00 WT1 H ATOM 5649 H2 TIP3 869 55.733 48.859 61.254 1.00 0.00 WT1 H ATOM 5650 OH2 TIP3 870 88.994 6.008 -13.295 1.00 0.00 WT1 O ATOM 5651 H1 TIP3 870 89.627 6.527 -12.801 1.00 0.00 WT1 H ATOM 5652 H2 TIP3 870 88.169 6.123 -12.824 1.00 0.00 WT1 H ATOM 5653 OH2 TIP3 871 37.838 67.098 58.389 1.00 0.00 WT1 O ATOM 5654 H1 TIP3 871 37.969 67.982 58.729 1.00 0.00 WT1 H ATOM 5655 H2 TIP3 871 37.933 66.529 59.153 1.00 0.00 WT1 H ATOM 5656 OH2 TIP3 872 50.308 37.483 65.074 1.00 0.00 WT1 O ATOM 5657 H1 TIP3 872 51.062 37.436 64.485 1.00 0.00 WT1 H ATOM 5658 H2 TIP3 872 50.511 38.208 65.665 1.00 0.00 WT1 H ATOM 5659 OH2 TIP3 873 55.269 58.361 8.492 1.00 0.00 WT1 O ATOM 5660 H1 TIP3 873 55.730 58.129 9.298 1.00 0.00 WT1 H ATOM 5661 H2 TIP3 873 55.952 58.379 7.821 1.00 0.00 WT1 H ATOM 5662 OH2 TIP3 874 28.261 67.194 39.869 1.00 0.00 WT1 O ATOM 5663 H1 TIP3 874 29.016 67.409 40.417 1.00 0.00 WT1 H ATOM 5664 H2 TIP3 874 28.553 67.378 38.976 1.00 0.00 WT1 H ATOM 5665 OH2 TIP3 875 35.411 64.507 5.511 1.00 0.00 WT1 O ATOM 5666 H1 TIP3 875 35.131 63.798 6.090 1.00 0.00 WT1 H ATOM 5667 H2 TIP3 875 35.953 65.069 6.065 1.00 0.00 WT1 H ATOM 5668 OH2 TIP3 876 31.680 64.433 38.840 1.00 0.00 WT1 O ATOM 5669 H1 TIP3 876 31.062 64.278 38.126 1.00 0.00 WT1 H ATOM 5670 H2 TIP3 876 32.539 64.429 38.419 1.00 0.00 WT1 H ATOM 5671 OH2 TIP3 877 29.166 32.674 49.916 1.00 0.00 WT1 O ATOM 5672 H1 TIP3 877 28.946 32.027 49.246 1.00 0.00 WT1 H ATOM 5673 H2 TIP3 877 28.393 33.235 49.971 1.00 0.00 WT1 H ATOM 5674 OH2 TIP3 878 55.415 8.907 30.035 1.00 0.00 WT1 O ATOM 5675 H1 TIP3 878 54.958 8.109 30.299 1.00 0.00 WT1 H ATOM 5676 H2 TIP3 878 56.331 8.642 29.948 1.00 0.00 WT1 H ATOM 5677 OH2 TIP3 880 80.751 58.828 21.744 1.00 0.00 WT1 O ATOM 5678 H1 TIP3 880 80.896 58.796 22.689 1.00 0.00 WT1 H ATOM 5679 H2 TIP3 880 80.624 57.913 21.490 1.00 0.00 WT1 H ATOM 5680 OH2 TIP3 881 79.991 50.785 63.331 1.00 0.00 WT1 O ATOM 5681 H1 TIP3 881 80.855 50.698 63.734 1.00 0.00 WT1 H ATOM 5682 H2 TIP3 881 79.615 51.565 63.738 1.00 0.00 WT1 H ATOM 5683 OH2 TIP3 883 53.352 84.291 -2.394 1.00 0.00 WT1 O ATOM 5684 H1 TIP3 883 53.597 84.099 -3.300 1.00 0.00 WT1 H ATOM 5685 H2 TIP3 883 53.547 83.484 -1.918 1.00 0.00 WT1 H ATOM 5686 OH2 TIP3 884 76.076 48.747 57.658 1.00 0.00 WT1 O ATOM 5687 H1 TIP3 884 75.297 49.118 57.243 1.00 0.00 WT1 H ATOM 5688 H2 TIP3 884 75.832 47.844 57.860 1.00 0.00 WT1 H ATOM 5689 OH2 TIP3 885 33.587 4.106 28.684 1.00 0.00 WT1 O ATOM 5690 H1 TIP3 885 32.702 3.817 28.907 1.00 0.00 WT1 H ATOM 5691 H2 TIP3 885 33.587 4.165 27.728 1.00 0.00 WT1 H ATOM 5692 OH2 TIP3 886 62.881 74.716 33.291 1.00 0.00 WT1 O ATOM 5693 H1 TIP3 886 63.147 74.016 32.694 1.00 0.00 WT1 H ATOM 5694 H2 TIP3 886 61.933 74.612 33.376 1.00 0.00 WT1 H ATOM 5695 OH2 TIP3 887 80.323 37.949 10.731 1.00 0.00 WT1 O ATOM 5696 H1 TIP3 887 80.473 38.325 11.599 1.00 0.00 WT1 H ATOM 5697 H2 TIP3 887 81.126 37.465 10.537 1.00 0.00 WT1 H ATOM 5698 OH2 TIP3 889 50.559 7.987 -9.485 1.00 0.00 WT1 O ATOM 5699 H1 TIP3 889 49.829 8.033 -10.102 1.00 0.00 WT1 H ATOM 5700 H2 TIP3 889 51.104 8.744 -9.701 1.00 0.00 WT1 H ATOM 5701 OH2 TIP3 890 51.669 30.573 -3.237 1.00 0.00 WT1 O ATOM 5702 H1 TIP3 890 51.186 30.167 -2.518 1.00 0.00 WT1 H ATOM 5703 H2 TIP3 890 51.781 31.485 -2.967 1.00 0.00 WT1 H ATOM 5704 OH2 TIP3 891 43.501 11.582 20.675 1.00 0.00 WT1 O ATOM 5705 H1 TIP3 891 44.404 11.712 20.387 1.00 0.00 WT1 H ATOM 5706 H2 TIP3 891 43.038 12.363 20.374 1.00 0.00 WT1 H ATOM 5707 OH2 TIP3 893 86.126 37.950 3.106 1.00 0.00 WT1 O ATOM 5708 H1 TIP3 893 86.097 38.356 2.239 1.00 0.00 WT1 H ATOM 5709 H2 TIP3 893 87.056 37.788 3.263 1.00 0.00 WT1 H ATOM 5710 OH2 TIP3 894 74.077 88.561 25.497 1.00 0.00 WT1 O ATOM 5711 H1 TIP3 894 74.275 89.353 25.998 1.00 0.00 WT1 H ATOM 5712 H2 TIP3 894 73.945 88.871 24.601 1.00 0.00 WT1 H ATOM 5713 OH2 TIP3 895 70.105 74.467 7.701 1.00 0.00 WT1 O ATOM 5714 H1 TIP3 895 70.048 75.347 8.074 1.00 0.00 WT1 H ATOM 5715 H2 TIP3 895 69.492 73.946 8.219 1.00 0.00 WT1 H ATOM 5716 OH2 TIP3 896 71.791 95.928 58.110 1.00 0.00 WT1 O ATOM 5717 H1 TIP3 896 71.768 96.802 58.500 1.00 0.00 WT1 H ATOM 5718 H2 TIP3 896 71.315 96.021 57.284 1.00 0.00 WT1 H ATOM 5719 OH2 TIP3 897 29.014 96.067 -19.743 1.00 0.00 WT1 O ATOM 5720 H1 TIP3 897 29.109 95.200 -20.136 1.00 0.00 WT1 H ATOM 5721 H2 TIP3 897 28.408 95.935 -19.014 1.00 0.00 WT1 H ATOM 5722 OH2 TIP3 898 39.405 39.267 -0.914 1.00 0.00 WT1 O ATOM 5723 H1 TIP3 898 39.658 39.599 -1.776 1.00 0.00 WT1 H ATOM 5724 H2 TIP3 898 38.944 39.998 -0.502 1.00 0.00 WT1 H ATOM 5725 OH2 TIP3 899 66.362 85.538 -2.336 1.00 0.00 WT1 O ATOM 5726 H1 TIP3 899 66.955 86.289 -2.308 1.00 0.00 WT1 H ATOM 5727 H2 TIP3 899 66.403 85.233 -3.242 1.00 0.00 WT1 H ATOM 5728 OH2 TIP3 900 51.399 31.340 20.129 1.00 0.00 WT1 O ATOM 5729 H1 TIP3 900 52.098 31.916 19.819 1.00 0.00 WT1 H ATOM 5730 H2 TIP3 900 50.624 31.900 20.164 1.00 0.00 WT1 H ATOM 5731 OH2 TIP3 901 41.629 84.248 57.015 1.00 0.00 WT1 O ATOM 5732 H1 TIP3 901 41.412 83.939 57.895 1.00 0.00 WT1 H ATOM 5733 H2 TIP3 901 42.553 84.025 56.904 1.00 0.00 WT1 H ATOM 5734 OH2 TIP3 902 48.978 85.068 62.997 1.00 0.00 WT1 O ATOM 5735 H1 TIP3 902 48.764 84.565 63.783 1.00 0.00 WT1 H ATOM 5736 H2 TIP3 902 48.976 85.980 63.288 1.00 0.00 WT1 H ATOM 5737 OH2 TIP3 903 25.509 76.469 59.150 1.00 0.00 WT1 O ATOM 5738 H1 TIP3 903 25.934 75.851 58.556 1.00 0.00 WT1 H ATOM 5739 H2 TIP3 903 24.858 76.915 58.608 1.00 0.00 WT1 H ATOM 5740 OH2 TIP3 904 65.684 70.804 23.371 1.00 0.00 WT1 O ATOM 5741 H1 TIP3 904 64.785 71.100 23.514 1.00 0.00 WT1 H ATOM 5742 H2 TIP3 904 65.600 70.069 22.762 1.00 0.00 WT1 H ATOM 5743 OH2 TIP3 905 63.235 62.334 -15.091 1.00 0.00 WT1 O ATOM 5744 H1 TIP3 905 63.642 62.476 -14.236 1.00 0.00 WT1 H ATOM 5745 H2 TIP3 905 62.432 62.856 -15.064 1.00 0.00 WT1 H ATOM 5746 OH2 TIP3 906 38.144 63.270 15.818 1.00 0.00 WT1 O ATOM 5747 H1 TIP3 906 38.857 63.828 16.129 1.00 0.00 WT1 H ATOM 5748 H2 TIP3 906 38.337 62.408 16.186 1.00 0.00 WT1 H ATOM 5749 OH2 TIP3 907 49.753 90.822 -4.810 1.00 0.00 WT1 O ATOM 5750 H1 TIP3 907 49.047 90.835 -5.457 1.00 0.00 WT1 H ATOM 5751 H2 TIP3 907 49.420 90.270 -4.103 1.00 0.00 WT1 H ATOM 5752 OH2 TIP3 908 29.662 1.018 17.973 1.00 0.00 WT1 O ATOM 5753 H1 TIP3 908 29.725 0.127 18.315 1.00 0.00 WT1 H ATOM 5754 H2 TIP3 908 28.839 1.029 17.483 1.00 0.00 WT1 H ATOM 5755 OH2 TIP3 909 50.431 43.638 59.830 1.00 0.00 WT1 O ATOM 5756 H1 TIP3 909 49.806 44.363 59.851 1.00 0.00 WT1 H ATOM 5757 H2 TIP3 909 51.214 43.985 60.257 1.00 0.00 WT1 H ATOM 5758 OH2 TIP3 910 75.805 20.970 -19.499 1.00 0.00 WT1 O ATOM 5759 H1 TIP3 910 75.194 21.443 -20.064 1.00 0.00 WT1 H ATOM 5760 H2 TIP3 910 75.302 20.222 -19.175 1.00 0.00 WT1 H ATOM 5761 OH2 TIP3 911 37.794 5.476 -15.644 1.00 0.00 WT1 O ATOM 5762 H1 TIP3 911 36.894 5.180 -15.507 1.00 0.00 WT1 H ATOM 5763 H2 TIP3 911 38.104 5.714 -14.771 1.00 0.00 WT1 H ATOM 5764 OH2 TIP3 912 46.044 23.042 64.831 1.00 0.00 WT1 O ATOM 5765 H1 TIP3 912 46.513 23.872 64.751 1.00 0.00 WT1 H ATOM 5766 H2 TIP3 912 45.253 23.161 64.304 1.00 0.00 WT1 H ATOM 5767 OH2 TIP3 913 30.635 32.971 -5.560 1.00 0.00 WT1 O ATOM 5768 H1 TIP3 913 30.123 33.368 -4.855 1.00 0.00 WT1 H ATOM 5769 H2 TIP3 913 30.367 33.445 -6.348 1.00 0.00 WT1 H ATOM 5770 OH2 TIP3 914 73.023 62.745 -9.913 1.00 0.00 WT1 O ATOM 5771 H1 TIP3 914 72.204 63.061 -9.531 1.00 0.00 WT1 H ATOM 5772 H2 TIP3 914 73.585 62.563 -9.161 1.00 0.00 WT1 H ATOM 5773 OH2 TIP3 915 50.102 14.168 9.066 1.00 0.00 WT1 O ATOM 5774 H1 TIP3 915 50.226 15.114 9.143 1.00 0.00 WT1 H ATOM 5775 H2 TIP3 915 49.661 14.050 8.225 1.00 0.00 WT1 H ATOM 5776 OH2 TIP3 916 75.911 80.437 9.045 1.00 0.00 WT1 O ATOM 5777 H1 TIP3 916 76.453 79.666 9.213 1.00 0.00 WT1 H ATOM 5778 H2 TIP3 916 75.738 80.802 9.912 1.00 0.00 WT1 H ATOM 5779 OH2 TIP3 917 81.404 9.407 61.783 1.00 0.00 WT1 O ATOM 5780 H1 TIP3 917 80.711 9.867 61.310 1.00 0.00 WT1 H ATOM 5781 H2 TIP3 917 81.905 10.102 62.211 1.00 0.00 WT1 H ATOM 5782 OH2 TIP3 918 31.141 4.501 49.316 1.00 0.00 WT1 O ATOM 5783 H1 TIP3 918 30.588 3.754 49.088 1.00 0.00 WT1 H ATOM 5784 H2 TIP3 918 30.785 5.227 48.803 1.00 0.00 WT1 H ATOM 5785 OH2 TIP3 919 28.961 87.788 52.067 1.00 0.00 WT1 O ATOM 5786 H1 TIP3 919 29.652 88.288 52.502 1.00 0.00 WT1 H ATOM 5787 H2 TIP3 919 29.327 86.909 51.969 1.00 0.00 WT1 H ATOM 5788 OH2 TIP3 921 60.129 58.717 37.302 1.00 0.00 WT1 O ATOM 5789 H1 TIP3 921 60.382 59.130 36.476 1.00 0.00 WT1 H ATOM 5790 H2 TIP3 921 59.224 58.436 37.163 1.00 0.00 WT1 H ATOM 5791 OH2 TIP3 922 61.276 31.014 60.914 1.00 0.00 WT1 O ATOM 5792 H1 TIP3 922 60.606 31.691 60.822 1.00 0.00 WT1 H ATOM 5793 H2 TIP3 922 61.850 31.336 61.609 1.00 0.00 WT1 H ATOM 5794 OH2 TIP3 923 84.804 78.620 62.332 1.00 0.00 WT1 O ATOM 5795 H1 TIP3 923 84.901 79.547 62.549 1.00 0.00 WT1 H ATOM 5796 H2 TIP3 923 84.766 78.178 63.180 1.00 0.00 WT1 H ATOM 5797 OH2 TIP3 924 88.620 59.035 8.230 1.00 0.00 WT1 O ATOM 5798 H1 TIP3 924 89.329 59.623 7.969 1.00 0.00 WT1 H ATOM 5799 H2 TIP3 924 88.579 58.383 7.531 1.00 0.00 WT1 H ATOM 5800 OH2 TIP3 925 35.015 91.417 64.406 1.00 0.00 WT1 O ATOM 5801 H1 TIP3 925 34.540 92.246 64.353 1.00 0.00 WT1 H ATOM 5802 H2 TIP3 925 34.483 90.803 63.900 1.00 0.00 WT1 H ATOM 5803 OH2 TIP3 926 28.172 68.363 57.835 1.00 0.00 WT1 O ATOM 5804 H1 TIP3 926 27.676 68.877 57.197 1.00 0.00 WT1 H ATOM 5805 H2 TIP3 926 29.024 68.224 57.420 1.00 0.00 WT1 H ATOM 5806 OH2 TIP3 927 68.056 2.828 11.149 1.00 0.00 WT1 O ATOM 5807 H1 TIP3 927 68.281 1.943 10.863 1.00 0.00 WT1 H ATOM 5808 H2 TIP3 927 68.563 3.402 10.574 1.00 0.00 WT1 H ATOM 5809 OH2 TIP3 928 38.909 35.594 27.386 1.00 0.00 WT1 O ATOM 5810 H1 TIP3 928 39.363 36.295 27.854 1.00 0.00 WT1 H ATOM 5811 H2 TIP3 928 39.367 35.529 26.548 1.00 0.00 WT1 H ATOM 5812 OH2 TIP3 929 25.616 45.633 4.627 1.00 0.00 WT1 O ATOM 5813 H1 TIP3 929 26.032 46.353 4.154 1.00 0.00 WT1 H ATOM 5814 H2 TIP3 929 24.860 46.033 5.058 1.00 0.00 WT1 H ATOM 5815 OH2 TIP3 930 22.270 2.339 -8.688 1.00 0.00 WT1 O ATOM 5816 H1 TIP3 930 23.148 2.460 -8.326 1.00 0.00 WT1 H ATOM 5817 H2 TIP3 930 22.127 1.393 -8.657 1.00 0.00 WT1 H ATOM 5818 OH2 TIP3 931 58.116 39.109 -2.059 1.00 0.00 WT1 O ATOM 5819 H1 TIP3 931 57.228 38.753 -2.055 1.00 0.00 WT1 H ATOM 5820 H2 TIP3 931 58.032 39.967 -1.643 1.00 0.00 WT1 H ATOM 5821 OH2 TIP3 932 36.529 24.389 -1.423 1.00 0.00 WT1 O ATOM 5822 H1 TIP3 932 36.787 24.962 -0.701 1.00 0.00 WT1 H ATOM 5823 H2 TIP3 932 36.391 23.535 -1.013 1.00 0.00 WT1 H ATOM 5824 OH2 TIP3 933 37.170 46.105 59.898 1.00 0.00 WT1 O ATOM 5825 H1 TIP3 933 37.429 45.184 59.853 1.00 0.00 WT1 H ATOM 5826 H2 TIP3 933 36.461 46.123 60.541 1.00 0.00 WT1 H ATOM 5827 OH2 TIP3 934 38.283 68.716 17.566 1.00 0.00 WT1 O ATOM 5828 H1 TIP3 934 38.846 69.488 17.632 1.00 0.00 WT1 H ATOM 5829 H2 TIP3 934 38.264 68.357 18.453 1.00 0.00 WT1 H ATOM 5830 OH2 TIP3 935 77.519 79.951 56.589 1.00 0.00 WT1 O ATOM 5831 H1 TIP3 935 77.337 79.915 57.528 1.00 0.00 WT1 H ATOM 5832 H2 TIP3 935 76.939 79.293 56.206 1.00 0.00 WT1 H ATOM 5833 OH2 TIP3 936 56.698 29.771 29.013 1.00 0.00 WT1 O ATOM 5834 H1 TIP3 936 56.171 29.116 28.555 1.00 0.00 WT1 H ATOM 5835 H2 TIP3 936 56.617 29.539 29.939 1.00 0.00 WT1 H ATOM 5836 OH2 TIP3 937 73.486 23.824 49.089 1.00 0.00 WT1 O ATOM 5837 H1 TIP3 937 73.607 24.476 49.779 1.00 0.00 WT1 H ATOM 5838 H2 TIP3 937 73.977 24.170 48.343 1.00 0.00 WT1 H ATOM 5839 OH2 TIP3 938 89.828 28.725 -3.955 1.00 0.00 WT1 O ATOM 5840 H1 TIP3 938 89.520 29.597 -3.707 1.00 0.00 WT1 H ATOM 5841 H2 TIP3 938 89.066 28.158 -3.834 1.00 0.00 WT1 H ATOM 5842 OH2 TIP3 939 23.318 74.819 20.567 1.00 0.00 WT1 O ATOM 5843 H1 TIP3 939 23.990 74.533 21.186 1.00 0.00 WT1 H ATOM 5844 H2 TIP3 939 22.799 75.459 21.055 1.00 0.00 WT1 H ATOM 5845 OH2 TIP3 940 34.186 52.058 17.430 1.00 0.00 WT1 O ATOM 5846 H1 TIP3 940 34.263 52.527 16.599 1.00 0.00 WT1 H ATOM 5847 H2 TIP3 940 33.625 51.309 17.232 1.00 0.00 WT1 H ATOM 5848 OH2 TIP3 941 46.247 25.369 39.206 1.00 0.00 WT1 O ATOM 5849 H1 TIP3 941 46.822 25.586 39.940 1.00 0.00 WT1 H ATOM 5850 H2 TIP3 941 45.520 25.988 39.280 1.00 0.00 WT1 H ATOM 5851 OH2 TIP3 942 52.871 70.230 -15.964 1.00 0.00 WT1 O ATOM 5852 H1 TIP3 942 52.401 69.398 -15.901 1.00 0.00 WT1 H ATOM 5853 H2 TIP3 942 52.182 70.892 -16.015 1.00 0.00 WT1 H ATOM 5854 OH2 TIP3 943 68.744 94.280 41.984 1.00 0.00 WT1 O ATOM 5855 H1 TIP3 943 68.509 94.578 42.863 1.00 0.00 WT1 H ATOM 5856 H2 TIP3 943 68.442 93.372 41.949 1.00 0.00 WT1 H ATOM 5857 OH2 TIP3 944 57.916 15.491 52.912 1.00 0.00 WT1 O ATOM 5858 H1 TIP3 944 58.779 15.084 52.995 1.00 0.00 WT1 H ATOM 5859 H2 TIP3 944 57.940 16.230 53.519 1.00 0.00 WT1 H ATOM 5860 OH2 TIP3 945 39.938 76.425 26.896 1.00 0.00 WT1 O ATOM 5861 H1 TIP3 945 40.602 75.914 26.433 1.00 0.00 WT1 H ATOM 5862 H2 TIP3 945 40.381 76.732 27.687 1.00 0.00 WT1 H ATOM 5863 OH2 TIP3 946 52.332 62.696 59.695 1.00 0.00 WT1 O ATOM 5864 H1 TIP3 946 53.048 62.870 60.306 1.00 0.00 WT1 H ATOM 5865 H2 TIP3 946 51.821 62.004 60.115 1.00 0.00 WT1 H ATOM 5866 OH2 TIP3 947 79.160 74.516 66.928 1.00 0.00 WT1 O ATOM 5867 H1 TIP3 947 79.038 75.155 66.226 1.00 0.00 WT1 H ATOM 5868 H2 TIP3 947 80.004 74.107 66.736 1.00 0.00 WT1 H ATOM 5869 OH2 TIP3 948 68.930 55.006 59.853 1.00 0.00 WT1 O ATOM 5870 H1 TIP3 948 68.410 55.327 59.116 1.00 0.00 WT1 H ATOM 5871 H2 TIP3 948 68.627 55.520 60.602 1.00 0.00 WT1 H ATOM 5872 OH2 TIP3 949 64.551 87.013 -4.749 1.00 0.00 WT1 O ATOM 5873 H1 TIP3 949 64.928 86.175 -5.017 1.00 0.00 WT1 H ATOM 5874 H2 TIP3 949 64.807 87.624 -5.439 1.00 0.00 WT1 H ATOM 5875 OH2 TIP3 950 33.436 70.575 17.822 1.00 0.00 WT1 O ATOM 5876 H1 TIP3 950 33.963 69.784 17.709 1.00 0.00 WT1 H ATOM 5877 H2 TIP3 950 33.507 70.779 18.755 1.00 0.00 WT1 H ATOM 5878 OH2 TIP3 951 77.824 45.871 -10.055 1.00 0.00 WT1 O ATOM 5879 H1 TIP3 951 78.627 46.372 -9.910 1.00 0.00 WT1 H ATOM 5880 H2 TIP3 951 77.225 46.177 -9.374 1.00 0.00 WT1 H ATOM 5881 OH2 TIP3 952 38.686 4.294 4.075 1.00 0.00 WT1 O ATOM 5882 H1 TIP3 952 38.197 4.546 4.858 1.00 0.00 WT1 H ATOM 5883 H2 TIP3 952 39.596 4.513 4.279 1.00 0.00 WT1 H ATOM 5884 OH2 TIP3 953 43.624 39.162 29.699 1.00 0.00 WT1 O ATOM 5885 H1 TIP3 953 44.426 39.388 30.170 1.00 0.00 WT1 H ATOM 5886 H2 TIP3 953 43.757 38.256 29.421 1.00 0.00 WT1 H ATOM 5887 OH2 TIP3 954 47.721 47.839 -13.473 1.00 0.00 WT1 O ATOM 5888 H1 TIP3 954 47.907 47.174 -12.810 1.00 0.00 WT1 H ATOM 5889 H2 TIP3 954 47.016 48.364 -13.094 1.00 0.00 WT1 H ATOM 5890 OH2 TIP3 955 67.221 55.537 48.750 1.00 0.00 WT1 O ATOM 5891 H1 TIP3 955 66.330 55.460 49.093 1.00 0.00 WT1 H ATOM 5892 H2 TIP3 955 67.755 55.018 49.352 1.00 0.00 WT1 H ATOM 5893 OH2 TIP3 956 38.573 11.623 38.393 1.00 0.00 WT1 O ATOM 5894 H1 TIP3 956 38.874 12.386 37.901 1.00 0.00 WT1 H ATOM 5895 H2 TIP3 956 38.642 10.896 37.775 1.00 0.00 WT1 H ATOM 5896 OH2 TIP3 957 53.131 1.659 47.785 1.00 0.00 WT1 O ATOM 5897 H1 TIP3 957 52.837 1.431 46.903 1.00 0.00 WT1 H ATOM 5898 H2 TIP3 957 53.854 2.271 47.646 1.00 0.00 WT1 H ATOM 5899 OH2 TIP3 958 53.890 6.292 3.838 1.00 0.00 WT1 O ATOM 5900 H1 TIP3 958 54.684 6.576 4.291 1.00 0.00 WT1 H ATOM 5901 H2 TIP3 958 53.216 6.286 4.518 1.00 0.00 WT1 H ATOM 5902 OH2 TIP3 959 58.674 19.952 13.686 1.00 0.00 WT1 O ATOM 5903 H1 TIP3 959 58.153 19.159 13.811 1.00 0.00 WT1 H ATOM 5904 H2 TIP3 959 59.546 19.718 14.003 1.00 0.00 WT1 H ATOM 5905 OH2 TIP3 960 70.598 68.072 65.569 1.00 0.00 WT1 O ATOM 5906 H1 TIP3 960 69.714 67.853 65.866 1.00 0.00 WT1 H ATOM 5907 H2 TIP3 960 71.175 67.677 66.222 1.00 0.00 WT1 H ATOM 5908 OH2 TIP3 961 25.623 15.655 37.432 1.00 0.00 WT1 O ATOM 5909 H1 TIP3 961 26.566 15.802 37.351 1.00 0.00 WT1 H ATOM 5910 H2 TIP3 961 25.226 16.468 37.119 1.00 0.00 WT1 H ATOM 5911 OH2 TIP3 962 63.604 80.045 25.531 1.00 0.00 WT1 O ATOM 5912 H1 TIP3 962 64.461 79.737 25.825 1.00 0.00 WT1 H ATOM 5913 H2 TIP3 962 63.135 79.248 25.282 1.00 0.00 WT1 H ATOM 5914 OH2 TIP3 963 49.769 84.062 -11.802 1.00 0.00 WT1 O ATOM 5915 H1 TIP3 963 49.140 83.963 -12.517 1.00 0.00 WT1 H ATOM 5916 H2 TIP3 963 49.380 83.579 -11.073 1.00 0.00 WT1 H ATOM 5917 OH2 TIP3 964 48.740 93.391 56.234 1.00 0.00 WT1 O ATOM 5918 H1 TIP3 964 48.076 93.624 55.585 1.00 0.00 WT1 H ATOM 5919 H2 TIP3 964 49.030 92.516 55.977 1.00 0.00 WT1 H ATOM 5920 OH2 TIP3 965 31.133 95.643 29.399 1.00 0.00 WT1 O ATOM 5921 H1 TIP3 965 31.441 96.513 29.653 1.00 0.00 WT1 H ATOM 5922 H2 TIP3 965 30.813 95.753 28.504 1.00 0.00 WT1 H ATOM 5923 OH2 TIP3 966 70.509 66.092 28.373 1.00 0.00 WT1 O ATOM 5924 H1 TIP3 966 69.669 66.109 27.913 1.00 0.00 WT1 H ATOM 5925 H2 TIP3 966 70.742 65.165 28.414 1.00 0.00 WT1 H ATOM 5926 OH2 TIP3 967 51.497 20.800 53.814 1.00 0.00 WT1 O ATOM 5927 H1 TIP3 967 50.873 20.230 53.365 1.00 0.00 WT1 H ATOM 5928 H2 TIP3 967 52.352 20.534 53.476 1.00 0.00 WT1 H ATOM 5929 OH2 TIP3 968 85.303 43.149 11.033 1.00 0.00 WT1 O ATOM 5930 H1 TIP3 968 86.186 42.918 10.743 1.00 0.00 WT1 H ATOM 5931 H2 TIP3 968 85.290 42.923 11.963 1.00 0.00 WT1 H ATOM 5932 OH2 TIP3 969 26.812 30.406 -16.634 1.00 0.00 WT1 O ATOM 5933 H1 TIP3 969 26.767 31.258 -17.067 1.00 0.00 WT1 H ATOM 5934 H2 TIP3 969 27.709 30.107 -16.785 1.00 0.00 WT1 H ATOM 5935 OH2 TIP3 970 33.643 20.091 19.518 1.00 0.00 WT1 O ATOM 5936 H1 TIP3 970 33.923 20.083 18.603 1.00 0.00 WT1 H ATOM 5937 H2 TIP3 970 34.074 20.859 19.894 1.00 0.00 WT1 H ATOM 5938 OH2 TIP3 971 85.571 30.071 42.555 1.00 0.00 WT1 O ATOM 5939 H1 TIP3 971 84.707 30.360 42.260 1.00 0.00 WT1 H ATOM 5940 H2 TIP3 971 86.069 30.880 42.670 1.00 0.00 WT1 H ATOM 5941 OH2 TIP3 972 38.417 31.720 12.708 1.00 0.00 WT1 O ATOM 5942 H1 TIP3 972 38.740 32.621 12.740 1.00 0.00 WT1 H ATOM 5943 H2 TIP3 972 39.118 31.230 12.279 1.00 0.00 WT1 H ATOM 5944 OH2 TIP3 973 34.626 49.820 13.748 1.00 0.00 WT1 O ATOM 5945 H1 TIP3 973 35.017 49.903 14.618 1.00 0.00 WT1 H ATOM 5946 H2 TIP3 973 35.204 50.326 13.177 1.00 0.00 WT1 H ATOM 5947 OH2 TIP3 974 70.890 22.806 -4.230 1.00 0.00 WT1 O ATOM 5948 H1 TIP3 974 71.207 23.702 -4.348 1.00 0.00 WT1 H ATOM 5949 H2 TIP3 974 71.490 22.422 -3.591 1.00 0.00 WT1 H ATOM 5950 OH2 TIP3 975 67.441 93.629 14.818 1.00 0.00 WT1 O ATOM 5951 H1 TIP3 975 68.011 92.908 15.086 1.00 0.00 WT1 H ATOM 5952 H2 TIP3 975 66.573 93.380 15.136 1.00 0.00 WT1 H ATOM 5953 OH2 TIP3 976 69.343 56.757 64.949 1.00 0.00 WT1 O ATOM 5954 H1 TIP3 976 69.279 56.979 64.020 1.00 0.00 WT1 H ATOM 5955 H2 TIP3 976 70.008 56.069 64.986 1.00 0.00 WT1 H ATOM 5956 OH2 TIP3 977 38.543 17.715 39.021 1.00 0.00 WT1 O ATOM 5957 H1 TIP3 977 38.941 17.440 38.195 1.00 0.00 WT1 H ATOM 5958 H2 TIP3 977 37.687 17.288 39.029 1.00 0.00 WT1 H ATOM 5959 OH2 TIP3 978 34.043 90.133 33.026 1.00 0.00 WT1 O ATOM 5960 H1 TIP3 978 34.995 90.043 32.989 1.00 0.00 WT1 H ATOM 5961 H2 TIP3 978 33.882 90.670 33.801 1.00 0.00 WT1 H ATOM 5962 OH2 TIP3 979 27.485 38.735 11.748 1.00 0.00 WT1 O ATOM 5963 H1 TIP3 979 26.902 39.259 12.297 1.00 0.00 WT1 H ATOM 5964 H2 TIP3 979 28.271 38.613 12.281 1.00 0.00 WT1 H ATOM 5965 OH2 TIP3 980 43.284 26.978 62.210 1.00 0.00 WT1 O ATOM 5966 H1 TIP3 980 42.491 27.193 61.719 1.00 0.00 WT1 H ATOM 5967 H2 TIP3 980 43.992 27.065 61.572 1.00 0.00 WT1 H ATOM 5968 OH2 TIP3 982 58.326 93.466 -18.294 1.00 0.00 WT1 O ATOM 5969 H1 TIP3 982 58.561 92.572 -18.045 1.00 0.00 WT1 H ATOM 5970 H2 TIP3 982 57.384 93.429 -18.462 1.00 0.00 WT1 H ATOM 5971 OH2 TIP3 983 37.670 88.301 49.073 1.00 0.00 WT1 O ATOM 5972 H1 TIP3 983 36.860 88.787 49.228 1.00 0.00 WT1 H ATOM 5973 H2 TIP3 983 38.029 88.684 48.272 1.00 0.00 WT1 H ATOM 5974 OH2 TIP3 984 24.701 65.866 0.334 1.00 0.00 WT1 O ATOM 5975 H1 TIP3 984 25.077 66.395 1.038 1.00 0.00 WT1 H ATOM 5976 H2 TIP3 984 25.053 64.988 0.479 1.00 0.00 WT1 H ATOM 5977 OH2 TIP3 985 86.516 23.322 40.080 1.00 0.00 WT1 O ATOM 5978 H1 TIP3 985 86.118 24.049 40.560 1.00 0.00 WT1 H ATOM 5979 H2 TIP3 985 87.452 23.398 40.263 1.00 0.00 WT1 H ATOM 5980 OH2 TIP3 986 66.205 59.352 34.149 1.00 0.00 WT1 O ATOM 5981 H1 TIP3 986 65.403 59.565 34.627 1.00 0.00 WT1 H ATOM 5982 H2 TIP3 986 66.496 58.522 34.526 1.00 0.00 WT1 H ATOM 5983 OH2 TIP3 988 64.438 46.516 54.268 1.00 0.00 WT1 O ATOM 5984 H1 TIP3 988 64.373 47.224 53.626 1.00 0.00 WT1 H ATOM 5985 H2 TIP3 988 64.057 45.757 53.828 1.00 0.00 WT1 H ATOM 5986 OH2 TIP3 989 90.100 9.583 12.051 1.00 0.00 WT1 O ATOM 5987 H1 TIP3 989 90.165 8.730 11.624 1.00 0.00 WT1 H ATOM 5988 H2 TIP3 989 90.629 9.496 12.844 1.00 0.00 WT1 H ATOM 5989 OH2 TIP3 990 60.365 22.661 60.214 1.00 0.00 WT1 O ATOM 5990 H1 TIP3 990 60.293 21.843 59.722 1.00 0.00 WT1 H ATOM 5991 H2 TIP3 990 59.799 23.274 59.744 1.00 0.00 WT1 H ATOM 5992 OH2 TIP3 991 46.684 84.071 32.178 1.00 0.00 WT1 O ATOM 5993 H1 TIP3 991 46.964 83.512 31.454 1.00 0.00 WT1 H ATOM 5994 H2 TIP3 991 46.407 83.460 32.861 1.00 0.00 WT1 H ATOM 5995 OH2 TIP3 992 37.167 13.540 -11.706 1.00 0.00 WT1 O ATOM 5996 H1 TIP3 992 36.921 13.731 -10.801 1.00 0.00 WT1 H ATOM 5997 H2 TIP3 992 36.367 13.196 -12.104 1.00 0.00 WT1 H ATOM 5998 OH2 TIP3 994 24.521 53.904 7.902 1.00 0.00 WT1 O ATOM 5999 H1 TIP3 994 24.387 54.168 6.991 1.00 0.00 WT1 H ATOM 6000 H2 TIP3 994 25.370 54.278 8.137 1.00 0.00 WT1 H ATOM 6001 OH2 TIP3 995 72.591 17.725 45.668 1.00 0.00 WT1 O ATOM 6002 H1 TIP3 995 72.607 17.533 44.730 1.00 0.00 WT1 H ATOM 6003 H2 TIP3 995 73.513 17.811 45.911 1.00 0.00 WT1 H ATOM 6004 OH2 TIP3 996 55.730 38.676 -16.265 1.00 0.00 WT1 O ATOM 6005 H1 TIP3 996 55.382 39.347 -16.853 1.00 0.00 WT1 H ATOM 6006 H2 TIP3 996 54.955 38.289 -15.858 1.00 0.00 WT1 H ATOM 6007 OH2 TIP3 997 51.943 80.256 -13.179 1.00 0.00 WT1 O ATOM 6008 H1 TIP3 997 52.347 79.640 -12.568 1.00 0.00 WT1 H ATOM 6009 H2 TIP3 997 51.242 79.755 -13.596 1.00 0.00 WT1 H ATOM 6010 OH2 TIP3 999 48.468 95.543 13.506 1.00 0.00 WT1 O ATOM 6011 H1 TIP3 999 48.332 96.490 13.465 1.00 0.00 WT1 H ATOM 6012 H2 TIP3 999 47.723 95.174 13.032 1.00 0.00 WT1 H ATOM 6013 OH2 TIP3 1000 85.194 27.919 -7.371 1.00 0.00 WT1 O ATOM 6014 H1 TIP3 1000 85.102 27.185 -6.764 1.00 0.00 WT1 H ATOM 6015 H2 TIP3 1000 85.015 27.542 -8.232 1.00 0.00 WT1 H ATOM 6016 OH2 TIP3 1001 36.878 35.221 -16.131 1.00 0.00 WT1 O ATOM 6017 H1 TIP3 1001 36.262 34.890 -16.784 1.00 0.00 WT1 H ATOM 6018 H2 TIP3 1001 37.740 35.086 -16.524 1.00 0.00 WT1 H ATOM 6019 OH2 TIP3 1002 87.544 47.382 34.176 1.00 0.00 WT1 O ATOM 6020 H1 TIP3 1002 87.296 47.519 33.261 1.00 0.00 WT1 H ATOM 6021 H2 TIP3 1002 86.758 47.022 34.586 1.00 0.00 WT1 H ATOM 6022 OH2 TIP3 1003 79.030 38.335 29.159 1.00 0.00 WT1 O ATOM 6023 H1 TIP3 1003 78.729 39.082 29.677 1.00 0.00 WT1 H ATOM 6024 H2 TIP3 1003 79.540 37.807 29.773 1.00 0.00 WT1 H ATOM 6025 OH2 TIP3 1004 46.044 20.156 19.834 1.00 0.00 WT1 O ATOM 6026 H1 TIP3 1004 45.726 20.182 20.736 1.00 0.00 WT1 H ATOM 6027 H2 TIP3 1004 46.996 20.096 19.917 1.00 0.00 WT1 H ATOM 6028 OH2 TIP3 1005 37.991 40.136 11.506 1.00 0.00 WT1 O ATOM 6029 H1 TIP3 1005 38.168 41.071 11.611 1.00 0.00 WT1 H ATOM 6030 H2 TIP3 1005 38.659 39.705 12.040 1.00 0.00 WT1 H ATOM 6031 OH2 TIP3 1006 33.160 79.374 65.102 1.00 0.00 WT1 O ATOM 6032 H1 TIP3 1006 34.092 79.266 64.910 1.00 0.00 WT1 H ATOM 6033 H2 TIP3 1006 33.119 80.143 65.670 1.00 0.00 WT1 H ATOM 6034 OH2 TIP3 1007 79.103 46.997 -4.106 1.00 0.00 WT1 O ATOM 6035 H1 TIP3 1007 79.789 47.359 -3.545 1.00 0.00 WT1 H ATOM 6036 H2 TIP3 1007 78.524 47.738 -4.286 1.00 0.00 WT1 H ATOM 6037 OH2 TIP3 1008 78.172 11.980 44.674 1.00 0.00 WT1 O ATOM 6038 H1 TIP3 1008 78.731 12.415 45.318 1.00 0.00 WT1 H ATOM 6039 H2 TIP3 1008 77.717 12.696 44.229 1.00 0.00 WT1 H ATOM 6040 OH2 TIP3 1009 83.459 86.496 53.499 1.00 0.00 WT1 O ATOM 6041 H1 TIP3 1009 84.187 86.134 54.004 1.00 0.00 WT1 H ATOM 6042 H2 TIP3 1009 82.961 85.730 53.213 1.00 0.00 WT1 H ATOM 6043 OH2 TIP3 1010 25.615 66.248 49.695 1.00 0.00 WT1 O ATOM 6044 H1 TIP3 1010 26.213 66.211 50.441 1.00 0.00 WT1 H ATOM 6045 H2 TIP3 1010 25.241 67.129 49.730 1.00 0.00 WT1 H ATOM 6046 OH2 TIP3 1011 59.955 45.236 -10.492 1.00 0.00 WT1 O ATOM 6047 H1 TIP3 1011 59.491 44.537 -10.031 1.00 0.00 WT1 H ATOM 6048 H2 TIP3 1011 60.435 45.699 -9.805 1.00 0.00 WT1 H ATOM 6049 OH2 TIP3 1012 42.976 84.404 19.287 1.00 0.00 WT1 O ATOM 6050 H1 TIP3 1012 42.659 85.070 18.677 1.00 0.00 WT1 H ATOM 6051 H2 TIP3 1012 42.784 83.572 18.855 1.00 0.00 WT1 H ATOM 6052 OH2 TIP3 1013 58.556 92.013 17.246 1.00 0.00 WT1 O ATOM 6053 H1 TIP3 1013 58.086 92.773 16.904 1.00 0.00 WT1 H ATOM 6054 H2 TIP3 1013 58.736 92.233 18.160 1.00 0.00 WT1 H ATOM 6055 OH2 TIP3 1014 25.728 82.540 15.796 1.00 0.00 WT1 O ATOM 6056 H1 TIP3 1014 26.627 82.868 15.774 1.00 0.00 WT1 H ATOM 6057 H2 TIP3 1014 25.821 81.591 15.875 1.00 0.00 WT1 H ATOM 6058 OH2 TIP3 1015 64.023 27.827 9.613 1.00 0.00 WT1 O ATOM 6059 H1 TIP3 1015 63.773 26.904 9.573 1.00 0.00 WT1 H ATOM 6060 H2 TIP3 1015 63.211 28.303 9.436 1.00 0.00 WT1 H ATOM 6061 OH2 TIP3 1016 20.952 21.946 34.121 1.00 0.00 WT1 O ATOM 6062 H1 TIP3 1016 20.543 22.780 33.891 1.00 0.00 WT1 H ATOM 6063 H2 TIP3 1016 21.872 22.056 33.882 1.00 0.00 WT1 H ATOM 6064 OH2 TIP3 1017 57.098 82.822 39.693 1.00 0.00 WT1 O ATOM 6065 H1 TIP3 1017 58.025 82.922 39.907 1.00 0.00 WT1 H ATOM 6066 H2 TIP3 1017 57.062 82.044 39.136 1.00 0.00 WT1 H ATOM 6067 OH2 TIP3 1018 25.677 60.262 -12.878 1.00 0.00 WT1 O ATOM 6068 H1 TIP3 1018 26.344 60.728 -12.375 1.00 0.00 WT1 H ATOM 6069 H2 TIP3 1018 26.043 60.197 -13.760 1.00 0.00 WT1 H ATOM 6070 OH2 TIP3 1020 26.850 89.489 62.845 1.00 0.00 WT1 O ATOM 6071 H1 TIP3 1020 27.794 89.449 62.995 1.00 0.00 WT1 H ATOM 6072 H2 TIP3 1020 26.746 90.121 62.134 1.00 0.00 WT1 H ATOM 6073 OH2 TIP3 1021 37.849 62.252 13.096 1.00 0.00 WT1 O ATOM 6074 H1 TIP3 1021 38.057 62.408 14.017 1.00 0.00 WT1 H ATOM 6075 H2 TIP3 1021 38.341 61.464 12.868 1.00 0.00 WT1 H ATOM 6076 OH2 TIP3 1022 35.396 72.298 -13.232 1.00 0.00 WT1 O ATOM 6077 H1 TIP3 1022 36.007 72.518 -12.529 1.00 0.00 WT1 H ATOM 6078 H2 TIP3 1022 35.575 71.378 -13.426 1.00 0.00 WT1 H ATOM 6079 OH2 TIP3 1023 76.323 29.072 13.084 1.00 0.00 WT1 O ATOM 6080 H1 TIP3 1023 75.773 28.774 12.359 1.00 0.00 WT1 H ATOM 6081 H2 TIP3 1023 75.925 29.896 13.364 1.00 0.00 WT1 H ATOM 6082 OH2 TIP3 1025 33.852 90.304 49.104 1.00 0.00 WT1 O ATOM 6083 H1 TIP3 1025 34.064 89.743 48.358 1.00 0.00 WT1 H ATOM 6084 H2 TIP3 1025 33.995 89.748 49.870 1.00 0.00 WT1 H ATOM 6085 OH2 TIP3 1026 33.897 89.207 66.428 1.00 0.00 WT1 O ATOM 6086 H1 TIP3 1026 34.253 89.678 67.181 1.00 0.00 WT1 H ATOM 6087 H2 TIP3 1026 34.660 88.800 66.018 1.00 0.00 WT1 H ATOM 6088 OH2 TIP3 1027 80.233 88.424 -7.896 1.00 0.00 WT1 O ATOM 6089 H1 TIP3 1027 79.817 89.142 -7.418 1.00 0.00 WT1 H ATOM 6090 H2 TIP3 1027 79.606 87.703 -7.839 1.00 0.00 WT1 H ATOM 6091 OH2 TIP3 1028 27.460 44.786 16.331 1.00 0.00 WT1 O ATOM 6092 H1 TIP3 1028 27.260 45.643 16.708 1.00 0.00 WT1 H ATOM 6093 H2 TIP3 1028 28.317 44.899 15.919 1.00 0.00 WT1 H ATOM 6094 OH2 TIP3 1029 27.986 35.318 62.470 1.00 0.00 WT1 O ATOM 6095 H1 TIP3 1029 28.697 34.829 62.056 1.00 0.00 WT1 H ATOM 6096 H2 TIP3 1029 27.302 35.360 61.802 1.00 0.00 WT1 H ATOM 6097 OH2 TIP3 1030 41.951 4.226 -4.509 1.00 0.00 WT1 O ATOM 6098 H1 TIP3 1030 42.151 5.117 -4.796 1.00 0.00 WT1 H ATOM 6099 H2 TIP3 1030 41.405 4.341 -3.731 1.00 0.00 WT1 H ATOM 6100 OH2 TIP3 1031 65.596 31.707 32.145 1.00 0.00 WT1 O ATOM 6101 H1 TIP3 1031 65.834 30.797 31.967 1.00 0.00 WT1 H ATOM 6102 H2 TIP3 1031 66.209 32.222 31.620 1.00 0.00 WT1 H ATOM 6103 OH2 TIP3 1032 38.670 93.660 21.556 1.00 0.00 WT1 O ATOM 6104 H1 TIP3 1032 38.388 94.079 22.369 1.00 0.00 WT1 H ATOM 6105 H2 TIP3 1032 38.371 92.754 21.636 1.00 0.00 WT1 H ATOM 6106 OH2 TIP3 1033 55.912 85.567 -14.799 1.00 0.00 WT1 O ATOM 6107 H1 TIP3 1033 55.600 86.161 -14.116 1.00 0.00 WT1 H ATOM 6108 H2 TIP3 1033 56.202 86.145 -15.505 1.00 0.00 WT1 H ATOM 6109 OH2 TIP3 1034 28.113 42.714 43.683 1.00 0.00 WT1 O ATOM 6110 H1 TIP3 1034 28.732 43.256 44.173 1.00 0.00 WT1 H ATOM 6111 H2 TIP3 1034 27.444 42.474 44.324 1.00 0.00 WT1 H ATOM 6112 OH2 TIP3 1035 42.010 32.368 31.232 1.00 0.00 WT1 O ATOM 6113 H1 TIP3 1035 42.235 32.823 32.043 1.00 0.00 WT1 H ATOM 6114 H2 TIP3 1035 42.415 32.893 30.542 1.00 0.00 WT1 H ATOM 6115 OH2 TIP3 1036 77.791 58.005 18.021 1.00 0.00 WT1 O ATOM 6116 H1 TIP3 1036 78.695 58.309 17.942 1.00 0.00 WT1 H ATOM 6117 H2 TIP3 1036 77.308 58.768 18.340 1.00 0.00 WT1 H ATOM 6118 OH2 TIP3 1037 63.547 51.469 62.753 1.00 0.00 WT1 O ATOM 6119 H1 TIP3 1037 62.808 50.862 62.777 1.00 0.00 WT1 H ATOM 6120 H2 TIP3 1037 63.711 51.684 63.671 1.00 0.00 WT1 H ATOM 6121 OH2 TIP3 1038 36.658 53.235 45.645 1.00 0.00 WT1 O ATOM 6122 H1 TIP3 1038 36.946 53.387 44.745 1.00 0.00 WT1 H ATOM 6123 H2 TIP3 1038 37.155 52.467 45.929 1.00 0.00 WT1 H ATOM 6124 OH2 TIP3 1039 43.389 45.734 47.321 1.00 0.00 WT1 O ATOM 6125 H1 TIP3 1039 43.982 45.051 47.007 1.00 0.00 WT1 H ATOM 6126 H2 TIP3 1039 43.609 46.503 46.795 1.00 0.00 WT1 H ATOM 6127 OH2 TIP3 1040 55.606 6.657 9.791 1.00 0.00 WT1 O ATOM 6128 H1 TIP3 1040 55.548 6.153 10.602 1.00 0.00 WT1 H ATOM 6129 H2 TIP3 1040 55.640 7.570 10.078 1.00 0.00 WT1 H ATOM 6130 OH2 TIP3 1041 57.074 31.160 16.598 1.00 0.00 WT1 O ATOM 6131 H1 TIP3 1041 57.127 32.075 16.323 1.00 0.00 WT1 H ATOM 6132 H2 TIP3 1041 56.155 31.033 16.834 1.00 0.00 WT1 H ATOM 6133 OH2 TIP3 1042 70.686 36.813 32.047 1.00 0.00 WT1 O ATOM 6134 H1 TIP3 1042 71.202 37.332 32.664 1.00 0.00 WT1 H ATOM 6135 H2 TIP3 1042 69.859 37.289 31.966 1.00 0.00 WT1 H ATOM 6136 OH2 TIP3 1043 31.623 68.145 37.007 1.00 0.00 WT1 O ATOM 6137 H1 TIP3 1043 32.204 67.872 37.717 1.00 0.00 WT1 H ATOM 6138 H2 TIP3 1043 32.186 68.177 36.234 1.00 0.00 WT1 H ATOM 6139 OH2 TIP3 1044 30.156 88.454 30.880 1.00 0.00 WT1 O ATOM 6140 H1 TIP3 1044 29.929 87.884 30.145 1.00 0.00 WT1 H ATOM 6141 H2 TIP3 1044 29.335 88.892 31.107 1.00 0.00 WT1 H ATOM 6142 OH2 TIP3 1045 87.349 74.932 29.118 1.00 0.00 WT1 O ATOM 6143 H1 TIP3 1045 87.480 74.293 29.818 1.00 0.00 WT1 H ATOM 6144 H2 TIP3 1045 86.493 74.714 28.750 1.00 0.00 WT1 H ATOM 6145 OH2 TIP3 1046 38.622 21.907 44.069 1.00 0.00 WT1 O ATOM 6146 H1 TIP3 1046 39.250 22.176 43.399 1.00 0.00 WT1 H ATOM 6147 H2 TIP3 1046 38.532 20.962 43.949 1.00 0.00 WT1 H ATOM 6148 OH2 TIP3 1047 88.990 52.977 43.625 1.00 0.00 WT1 O ATOM 6149 H1 TIP3 1047 89.766 52.422 43.706 1.00 0.00 WT1 H ATOM 6150 H2 TIP3 1047 88.598 52.969 44.498 1.00 0.00 WT1 H ATOM 6151 OH2 TIP3 1048 89.756 54.535 20.662 1.00 0.00 WT1 O ATOM 6152 H1 TIP3 1048 90.095 54.311 19.795 1.00 0.00 WT1 H ATOM 6153 H2 TIP3 1048 88.925 54.977 20.488 1.00 0.00 WT1 H ATOM 6154 OH2 TIP3 1049 79.386 82.021 33.953 1.00 0.00 WT1 O ATOM 6155 H1 TIP3 1049 78.904 81.483 34.582 1.00 0.00 WT1 H ATOM 6156 H2 TIP3 1049 78.856 81.990 33.156 1.00 0.00 WT1 H ATOM 6157 OH2 TIP3 1050 73.708 45.634 11.871 1.00 0.00 WT1 O ATOM 6158 H1 TIP3 1050 74.373 45.012 11.579 1.00 0.00 WT1 H ATOM 6159 H2 TIP3 1050 73.537 45.393 12.781 1.00 0.00 WT1 H ATOM 6160 OH2 TIP3 1051 86.835 55.883 4.440 1.00 0.00 WT1 O ATOM 6161 H1 TIP3 1051 86.043 56.364 4.678 1.00 0.00 WT1 H ATOM 6162 H2 TIP3 1051 86.921 56.013 3.496 1.00 0.00 WT1 H ATOM 6163 OH2 TIP3 1052 25.560 53.867 -14.710 1.00 0.00 WT1 O ATOM 6164 H1 TIP3 1052 25.115 53.053 -14.475 1.00 0.00 WT1 H ATOM 6165 H2 TIP3 1052 24.855 54.509 -14.796 1.00 0.00 WT1 H ATOM 6166 OH2 TIP3 1053 89.635 19.956 8.441 1.00 0.00 WT1 O ATOM 6167 H1 TIP3 1053 89.686 19.918 9.396 1.00 0.00 WT1 H ATOM 6168 H2 TIP3 1053 89.919 20.844 8.221 1.00 0.00 WT1 H ATOM 6169 OH2 TIP3 1054 89.339 70.379 -12.636 1.00 0.00 WT1 O ATOM 6170 H1 TIP3 1054 88.419 70.594 -12.790 1.00 0.00 WT1 H ATOM 6171 H2 TIP3 1054 89.314 69.565 -12.133 1.00 0.00 WT1 H ATOM 6172 OH2 TIP3 1055 56.689 59.169 -12.654 1.00 0.00 WT1 O ATOM 6173 H1 TIP3 1055 57.634 59.146 -12.799 1.00 0.00 WT1 H ATOM 6174 H2 TIP3 1055 56.443 58.252 -12.527 1.00 0.00 WT1 H ATOM 6175 OH2 TIP3 1056 55.598 35.691 14.733 1.00 0.00 WT1 O ATOM 6176 H1 TIP3 1056 54.880 35.064 14.642 1.00 0.00 WT1 H ATOM 6177 H2 TIP3 1056 55.921 35.556 15.624 1.00 0.00 WT1 H ATOM 6178 OH2 TIP3 1057 71.535 42.906 5.351 1.00 0.00 WT1 O ATOM 6179 H1 TIP3 1057 71.719 42.130 4.823 1.00 0.00 WT1 H ATOM 6180 H2 TIP3 1057 70.624 42.800 5.624 1.00 0.00 WT1 H ATOM 6181 OH2 TIP3 1058 88.536 27.472 63.859 1.00 0.00 WT1 O ATOM 6182 H1 TIP3 1058 87.992 27.491 63.072 1.00 0.00 WT1 H ATOM 6183 H2 TIP3 1058 88.396 28.326 64.269 1.00 0.00 WT1 H ATOM 6184 OH2 TIP3 1059 35.828 32.798 12.000 1.00 0.00 WT1 O ATOM 6185 H1 TIP3 1059 35.487 33.462 12.598 1.00 0.00 WT1 H ATOM 6186 H2 TIP3 1059 36.709 32.612 12.325 1.00 0.00 WT1 H ATOM 6187 OH2 TIP3 1060 22.138 61.932 38.202 1.00 0.00 WT1 O ATOM 6188 H1 TIP3 1060 21.579 62.504 37.675 1.00 0.00 WT1 H ATOM 6189 H2 TIP3 1060 22.947 61.856 37.696 1.00 0.00 WT1 H ATOM 6190 OH2 TIP3 1061 30.067 5.649 24.807 1.00 0.00 WT1 O ATOM 6191 H1 TIP3 1061 29.413 6.238 25.184 1.00 0.00 WT1 H ATOM 6192 H2 TIP3 1061 29.931 5.714 23.861 1.00 0.00 WT1 H ATOM 6193 OH2 TIP3 1062 29.315 17.069 58.481 1.00 0.00 WT1 O ATOM 6194 H1 TIP3 1062 28.830 17.029 59.306 1.00 0.00 WT1 H ATOM 6195 H2 TIP3 1062 30.033 17.679 58.654 1.00 0.00 WT1 H ATOM 6196 OH2 TIP3 1063 58.163 57.671 64.118 1.00 0.00 WT1 O ATOM 6197 H1 TIP3 1063 58.413 56.957 64.705 1.00 0.00 WT1 H ATOM 6198 H2 TIP3 1063 57.209 57.617 64.068 1.00 0.00 WT1 H ATOM 6199 OH2 TIP3 1064 29.290 48.933 36.716 1.00 0.00 WT1 O ATOM 6200 H1 TIP3 1064 29.739 49.638 37.183 1.00 0.00 WT1 H ATOM 6201 H2 TIP3 1064 29.930 48.222 36.682 1.00 0.00 WT1 H ATOM 6202 OH2 TIP3 1065 26.768 56.246 31.893 1.00 0.00 WT1 O ATOM 6203 H1 TIP3 1065 27.403 55.813 31.323 1.00 0.00 WT1 H ATOM 6204 H2 TIP3 1065 26.020 56.428 31.324 1.00 0.00 WT1 H ATOM 6205 OH2 TIP3 1066 32.768 58.129 1.276 1.00 0.00 WT1 O ATOM 6206 H1 TIP3 1066 33.356 58.869 1.429 1.00 0.00 WT1 H ATOM 6207 H2 TIP3 1066 33.313 57.355 1.423 1.00 0.00 WT1 H ATOM 6208 OH2 TIP3 1067 55.899 25.081 6.094 1.00 0.00 WT1 O ATOM 6209 H1 TIP3 1067 55.924 25.393 6.998 1.00 0.00 WT1 H ATOM 6210 H2 TIP3 1067 56.370 25.749 5.596 1.00 0.00 WT1 H ATOM 6211 OH2 TIP3 1068 83.904 26.665 59.788 1.00 0.00 WT1 O ATOM 6212 H1 TIP3 1068 84.145 27.535 60.107 1.00 0.00 WT1 H ATOM 6213 H2 TIP3 1068 83.307 26.323 60.453 1.00 0.00 WT1 H ATOM 6214 OH2 TIP3 1069 40.825 49.116 46.185 1.00 0.00 WT1 O ATOM 6215 H1 TIP3 1069 41.651 48.685 46.400 1.00 0.00 WT1 H ATOM 6216 H2 TIP3 1069 40.634 49.664 46.946 1.00 0.00 WT1 H ATOM 6217 OH2 TIP3 1070 60.643 3.494 -2.580 1.00 0.00 WT1 O ATOM 6218 H1 TIP3 1070 61.427 4.041 -2.524 1.00 0.00 WT1 H ATOM 6219 H2 TIP3 1070 60.261 3.533 -1.703 1.00 0.00 WT1 H ATOM 6220 OH2 TIP3 1071 48.142 10.923 -17.867 1.00 0.00 WT1 O ATOM 6221 H1 TIP3 1071 47.749 11.408 -17.141 1.00 0.00 WT1 H ATOM 6222 H2 TIP3 1071 47.633 11.186 -18.634 1.00 0.00 WT1 H ATOM 6223 OH2 TIP3 1072 39.167 15.596 -4.250 1.00 0.00 WT1 O ATOM 6224 H1 TIP3 1072 39.370 16.124 -5.023 1.00 0.00 WT1 H ATOM 6225 H2 TIP3 1072 38.945 16.236 -3.574 1.00 0.00 WT1 H ATOM 6226 OH2 TIP3 1073 39.444 32.319 54.757 1.00 0.00 WT1 O ATOM 6227 H1 TIP3 1073 38.627 32.124 54.299 1.00 0.00 WT1 H ATOM 6228 H2 TIP3 1073 40.126 31.935 54.206 1.00 0.00 WT1 H ATOM 6229 OH2 TIP3 1074 76.114 30.977 65.603 1.00 0.00 WT1 O ATOM 6230 H1 TIP3 1074 76.382 31.352 64.764 1.00 0.00 WT1 H ATOM 6231 H2 TIP3 1074 75.380 30.402 65.385 1.00 0.00 WT1 H ATOM 6232 OH2 TIP3 1076 26.780 63.598 3.937 1.00 0.00 WT1 O ATOM 6233 H1 TIP3 1076 27.290 63.006 3.384 1.00 0.00 WT1 H ATOM 6234 H2 TIP3 1076 27.007 64.473 3.624 1.00 0.00 WT1 H ATOM 6235 OH2 TIP3 1077 72.434 14.559 -16.857 1.00 0.00 WT1 O ATOM 6236 H1 TIP3 1077 73.114 13.917 -17.061 1.00 0.00 WT1 H ATOM 6237 H2 TIP3 1077 72.296 15.032 -17.678 1.00 0.00 WT1 H ATOM 6238 OH2 TIP3 1078 48.072 70.496 -1.974 1.00 0.00 WT1 O ATOM 6239 H1 TIP3 1078 48.980 70.195 -1.960 1.00 0.00 WT1 H ATOM 6240 H2 TIP3 1078 47.703 70.182 -1.148 1.00 0.00 WT1 H ATOM 6241 OH2 TIP3 1080 51.321 56.780 10.017 1.00 0.00 WT1 O ATOM 6242 H1 TIP3 1080 51.755 57.600 10.255 1.00 0.00 WT1 H ATOM 6243 H2 TIP3 1080 52.036 56.195 9.767 1.00 0.00 WT1 H ATOM 6244 OH2 TIP3 1081 71.436 59.489 -2.866 1.00 0.00 WT1 O ATOM 6245 H1 TIP3 1081 71.966 58.733 -3.119 1.00 0.00 WT1 H ATOM 6246 H2 TIP3 1081 70.703 59.486 -3.482 1.00 0.00 WT1 H ATOM 6247 OH2 TIP3 1084 23.051 20.383 12.708 1.00 0.00 WT1 O ATOM 6248 H1 TIP3 1084 22.874 20.530 13.638 1.00 0.00 WT1 H ATOM 6249 H2 TIP3 1084 23.184 21.260 12.348 1.00 0.00 WT1 H ATOM 6250 OH2 TIP3 1085 85.354 39.924 14.665 1.00 0.00 WT1 O ATOM 6251 H1 TIP3 1085 85.191 38.983 14.721 1.00 0.00 WT1 H ATOM 6252 H2 TIP3 1085 84.834 40.300 15.375 1.00 0.00 WT1 H ATOM 6253 OH2 TIP3 1086 31.357 38.933 55.706 1.00 0.00 WT1 O ATOM 6254 H1 TIP3 1086 30.990 38.088 55.444 1.00 0.00 WT1 H ATOM 6255 H2 TIP3 1086 31.277 39.482 54.926 1.00 0.00 WT1 H ATOM 6256 OH2 TIP3 1087 58.758 28.448 45.253 1.00 0.00 WT1 O ATOM 6257 H1 TIP3 1087 59.195 29.055 44.656 1.00 0.00 WT1 H ATOM 6258 H2 TIP3 1087 59.468 28.063 45.767 1.00 0.00 WT1 H ATOM 6259 OH2 TIP3 1088 40.253 22.131 51.654 1.00 0.00 WT1 O ATOM 6260 H1 TIP3 1088 40.456 23.058 51.527 1.00 0.00 WT1 H ATOM 6261 H2 TIP3 1088 39.353 22.037 51.344 1.00 0.00 WT1 H ATOM 6262 OH2 TIP3 1089 73.918 66.182 54.311 1.00 0.00 WT1 O ATOM 6263 H1 TIP3 1089 73.378 66.776 53.789 1.00 0.00 WT1 H ATOM 6264 H2 TIP3 1089 73.874 66.536 55.199 1.00 0.00 WT1 H ATOM 6265 OH2 TIP3 1090 40.944 16.643 49.513 1.00 0.00 WT1 O ATOM 6266 H1 TIP3 1090 41.172 16.570 48.586 1.00 0.00 WT1 H ATOM 6267 H2 TIP3 1090 41.648 17.167 49.893 1.00 0.00 WT1 H ATOM 6268 OH2 TIP3 1091 33.215 39.977 22.953 1.00 0.00 WT1 O ATOM 6269 H1 TIP3 1091 33.298 39.052 22.719 1.00 0.00 WT1 H ATOM 6270 H2 TIP3 1091 32.813 40.384 22.185 1.00 0.00 WT1 H ATOM 6271 OH2 TIP3 1092 83.348 90.164 48.137 1.00 0.00 WT1 O ATOM 6272 H1 TIP3 1092 83.153 90.403 47.231 1.00 0.00 WT1 H ATOM 6273 H2 TIP3 1092 84.260 90.425 48.262 1.00 0.00 WT1 H ATOM 6274 OH2 TIP3 1093 50.421 44.544 12.516 1.00 0.00 WT1 O ATOM 6275 H1 TIP3 1093 51.324 44.740 12.767 1.00 0.00 WT1 H ATOM 6276 H2 TIP3 1093 49.902 44.783 13.284 1.00 0.00 WT1 H ATOM 6277 OH2 TIP3 1094 77.777 11.300 -17.448 1.00 0.00 WT1 O ATOM 6278 H1 TIP3 1094 77.152 11.122 -16.746 1.00 0.00 WT1 H ATOM 6279 H2 TIP3 1094 78.118 10.438 -17.689 1.00 0.00 WT1 H ATOM 6280 OH2 TIP3 1095 22.697 48.340 -4.682 1.00 0.00 WT1 O ATOM 6281 H1 TIP3 1095 21.845 48.510 -4.279 1.00 0.00 WT1 H ATOM 6282 H2 TIP3 1095 22.842 47.403 -4.550 1.00 0.00 WT1 H ATOM 6283 OH2 TIP3 1096 52.888 66.886 44.576 1.00 0.00 WT1 O ATOM 6284 H1 TIP3 1096 52.534 66.164 44.057 1.00 0.00 WT1 H ATOM 6285 H2 TIP3 1096 52.460 67.667 44.224 1.00 0.00 WT1 H ATOM 6286 OH2 TIP3 1097 34.491 35.659 46.556 1.00 0.00 WT1 O ATOM 6287 H1 TIP3 1097 34.521 36.069 47.420 1.00 0.00 WT1 H ATOM 6288 H2 TIP3 1097 33.855 34.950 46.649 1.00 0.00 WT1 H ATOM 6289 OH2 TIP3 1098 74.975 10.253 56.117 1.00 0.00 WT1 O ATOM 6290 H1 TIP3 1098 75.209 9.401 56.485 1.00 0.00 WT1 H ATOM 6291 H2 TIP3 1098 75.234 10.196 55.197 1.00 0.00 WT1 H ATOM 6292 OH2 TIP3 1099 22.715 9.595 1.087 1.00 0.00 WT1 O ATOM 6293 H1 TIP3 1099 21.848 9.999 1.108 1.00 0.00 WT1 H ATOM 6294 H2 TIP3 1099 23.238 10.117 1.696 1.00 0.00 WT1 H ATOM 6295 OH2 TIP3 1100 35.896 5.226 -1.533 1.00 0.00 WT1 O ATOM 6296 H1 TIP3 1100 36.635 4.624 -1.613 1.00 0.00 WT1 H ATOM 6297 H2 TIP3 1100 35.718 5.266 -0.593 1.00 0.00 WT1 H ATOM 6298 OH2 TIP3 1101 57.810 50.726 -18.487 1.00 0.00 WT1 O ATOM 6299 H1 TIP3 1101 57.620 49.890 -18.062 1.00 0.00 WT1 H ATOM 6300 H2 TIP3 1101 57.883 50.512 -19.417 1.00 0.00 WT1 H ATOM 6301 OH2 TIP3 1102 47.971 96.170 -2.689 1.00 0.00 WT1 O ATOM 6302 H1 TIP3 1102 48.098 95.327 -3.126 1.00 0.00 WT1 H ATOM 6303 H2 TIP3 1102 47.232 96.025 -2.099 1.00 0.00 WT1 H ATOM 6304 OH2 TIP3 1103 38.413 67.729 29.194 1.00 0.00 WT1 O ATOM 6305 H1 TIP3 1103 38.818 66.947 28.818 1.00 0.00 WT1 H ATOM 6306 H2 TIP3 1103 38.953 68.454 28.879 1.00 0.00 WT1 H ATOM 6307 OH2 TIP3 1104 36.573 67.289 65.182 1.00 0.00 WT1 O ATOM 6308 H1 TIP3 1104 36.934 66.543 64.702 1.00 0.00 WT1 H ATOM 6309 H2 TIP3 1104 36.508 67.985 64.528 1.00 0.00 WT1 H ATOM 6310 OH2 TIP3 1105 62.138 29.164 33.581 1.00 0.00 WT1 O ATOM 6311 H1 TIP3 1105 62.372 29.921 33.043 1.00 0.00 WT1 H ATOM 6312 H2 TIP3 1105 61.195 29.061 33.452 1.00 0.00 WT1 H ATOM 6313 OH2 TIP3 1106 77.936 21.041 65.758 1.00 0.00 WT1 O ATOM 6314 H1 TIP3 1106 77.710 20.817 64.855 1.00 0.00 WT1 H ATOM 6315 H2 TIP3 1106 77.196 20.723 66.276 1.00 0.00 WT1 H ATOM 6316 OH2 TIP3 1107 21.312 64.519 21.140 1.00 0.00 WT1 O ATOM 6317 H1 TIP3 1107 21.984 63.887 21.394 1.00 0.00 WT1 H ATOM 6318 H2 TIP3 1107 20.507 64.005 21.085 1.00 0.00 WT1 H ATOM 6319 OH2 TIP3 1108 87.183 12.900 37.848 1.00 0.00 WT1 O ATOM 6320 H1 TIP3 1108 87.635 12.168 38.267 1.00 0.00 WT1 H ATOM 6321 H2 TIP3 1108 87.593 13.681 38.219 1.00 0.00 WT1 H ATOM 6322 OH2 TIP3 1109 74.656 17.578 43.129 1.00 0.00 WT1 O ATOM 6323 H1 TIP3 1109 74.958 18.438 42.839 1.00 0.00 WT1 H ATOM 6324 H2 TIP3 1109 73.739 17.542 42.860 1.00 0.00 WT1 H ATOM 6325 OH2 TIP3 1110 37.802 95.566 47.623 1.00 0.00 WT1 O ATOM 6326 H1 TIP3 1110 38.079 96.482 47.628 1.00 0.00 WT1 H ATOM 6327 H2 TIP3 1110 37.982 95.265 46.733 1.00 0.00 WT1 H ATOM 6328 OH2 TIP3 1111 23.949 41.203 44.290 1.00 0.00 WT1 O ATOM 6329 H1 TIP3 1111 23.593 42.028 43.961 1.00 0.00 WT1 H ATOM 6330 H2 TIP3 1111 23.758 40.567 43.602 1.00 0.00 WT1 H ATOM 6331 OH2 TIP3 1112 54.161 86.154 -18.012 1.00 0.00 WT1 O ATOM 6332 H1 TIP3 1112 53.695 86.284 -17.186 1.00 0.00 WT1 H ATOM 6333 H2 TIP3 1112 53.989 85.241 -18.244 1.00 0.00 WT1 H ATOM 6334 OH2 TIP3 1113 46.042 26.934 57.731 1.00 0.00 WT1 O ATOM 6335 H1 TIP3 1113 45.655 27.379 56.978 1.00 0.00 WT1 H ATOM 6336 H2 TIP3 1113 46.933 27.280 57.783 1.00 0.00 WT1 H ATOM 6337 OH2 TIP3 1114 54.422 40.709 -17.893 1.00 0.00 WT1 O ATOM 6338 H1 TIP3 1114 54.435 41.469 -17.311 1.00 0.00 WT1 H ATOM 6339 H2 TIP3 1114 54.779 41.035 -18.720 1.00 0.00 WT1 H ATOM 6340 OH2 TIP3 1115 31.821 96.178 32.825 1.00 0.00 WT1 O ATOM 6341 H1 TIP3 1115 32.338 96.187 33.631 1.00 0.00 WT1 H ATOM 6342 H2 TIP3 1115 32.106 96.957 32.348 1.00 0.00 WT1 H ATOM 6343 OH2 TIP3 1116 78.060 44.811 47.980 1.00 0.00 WT1 O ATOM 6344 H1 TIP3 1116 78.299 45.736 47.914 1.00 0.00 WT1 H ATOM 6345 H2 TIP3 1116 78.645 44.459 48.650 1.00 0.00 WT1 H ATOM 6346 OH2 TIP3 1117 47.744 7.434 30.132 1.00 0.00 WT1 O ATOM 6347 H1 TIP3 1117 47.582 6.952 30.943 1.00 0.00 WT1 H ATOM 6348 H2 TIP3 1117 47.990 6.761 29.497 1.00 0.00 WT1 H ATOM 6349 OH2 TIP3 1118 65.056 43.088 55.158 1.00 0.00 WT1 O ATOM 6350 H1 TIP3 1118 64.701 43.374 55.999 1.00 0.00 WT1 H ATOM 6351 H2 TIP3 1118 64.921 42.141 55.150 1.00 0.00 WT1 H ATOM 6352 OH2 TIP3 1119 41.816 8.952 2.799 1.00 0.00 WT1 O ATOM 6353 H1 TIP3 1119 42.439 8.240 2.944 1.00 0.00 WT1 H ATOM 6354 H2 TIP3 1119 41.984 9.567 3.513 1.00 0.00 WT1 H ATOM 6355 OH2 TIP3 1120 73.325 3.629 47.302 1.00 0.00 WT1 O ATOM 6356 H1 TIP3 1120 74.234 3.506 47.578 1.00 0.00 WT1 H ATOM 6357 H2 TIP3 1120 72.900 2.793 47.498 1.00 0.00 WT1 H ATOM 6358 OH2 TIP3 1121 86.816 25.855 59.918 1.00 0.00 WT1 O ATOM 6359 H1 TIP3 1121 87.078 26.311 59.118 1.00 0.00 WT1 H ATOM 6360 H2 TIP3 1121 86.131 25.250 59.636 1.00 0.00 WT1 H ATOM 6361 OH2 TIP3 1122 56.905 84.013 -2.758 1.00 0.00 WT1 O ATOM 6362 H1 TIP3 1122 56.478 83.246 -2.377 1.00 0.00 WT1 H ATOM 6363 H2 TIP3 1122 57.735 83.681 -3.100 1.00 0.00 WT1 H ATOM 6364 OH2 TIP3 1123 89.480 39.363 0.840 1.00 0.00 WT1 O ATOM 6365 H1 TIP3 1123 88.947 38.855 1.450 1.00 0.00 WT1 H ATOM 6366 H2 TIP3 1123 90.241 38.809 0.667 1.00 0.00 WT1 H ATOM 6367 OH2 TIP3 1124 62.526 10.421 47.791 1.00 0.00 WT1 O ATOM 6368 H1 TIP3 1124 61.598 10.344 48.012 1.00 0.00 WT1 H ATOM 6369 H2 TIP3 1124 62.546 10.415 46.834 1.00 0.00 WT1 H ATOM 6370 OH2 TIP3 1125 86.170 56.358 42.644 1.00 0.00 WT1 O ATOM 6371 H1 TIP3 1125 85.655 55.565 42.792 1.00 0.00 WT1 H ATOM 6372 H2 TIP3 1125 85.858 56.974 43.307 1.00 0.00 WT1 H ATOM 6373 OH2 TIP3 1126 28.457 92.464 -13.113 1.00 0.00 WT1 O ATOM 6374 H1 TIP3 1126 28.162 91.943 -12.367 1.00 0.00 WT1 H ATOM 6375 H2 TIP3 1126 29.096 91.906 -13.558 1.00 0.00 WT1 H ATOM 6376 OH2 TIP3 1129 76.655 21.600 -8.016 1.00 0.00 WT1 O ATOM 6377 H1 TIP3 1129 75.916 21.869 -7.471 1.00 0.00 WT1 H ATOM 6378 H2 TIP3 1129 77.413 21.647 -7.433 1.00 0.00 WT1 H ATOM 6379 OH2 TIP3 1130 70.704 12.873 42.930 1.00 0.00 WT1 O ATOM 6380 H1 TIP3 1130 71.034 11.986 43.069 1.00 0.00 WT1 H ATOM 6381 H2 TIP3 1130 69.864 12.751 42.488 1.00 0.00 WT1 H ATOM 6382 OH2 TIP3 1131 57.897 17.397 -18.464 1.00 0.00 WT1 O ATOM 6383 H1 TIP3 1131 57.050 17.820 -18.605 1.00 0.00 WT1 H ATOM 6384 H2 TIP3 1131 58.265 17.843 -17.702 1.00 0.00 WT1 H ATOM 6385 OH2 TIP3 1132 46.512 47.136 43.349 1.00 0.00 WT1 O ATOM 6386 H1 TIP3 1132 46.741 48.025 43.077 1.00 0.00 WT1 H ATOM 6387 H2 TIP3 1132 46.118 46.741 42.571 1.00 0.00 WT1 H ATOM 6388 OH2 TIP3 1133 44.480 32.373 40.358 1.00 0.00 WT1 O ATOM 6389 H1 TIP3 1133 43.770 32.862 40.773 1.00 0.00 WT1 H ATOM 6390 H2 TIP3 1133 45.279 32.771 40.704 1.00 0.00 WT1 H ATOM 6391 OH2 TIP3 1134 87.567 52.526 -15.220 1.00 0.00 WT1 O ATOM 6392 H1 TIP3 1134 87.828 51.816 -15.807 1.00 0.00 WT1 H ATOM 6393 H2 TIP3 1134 88.391 52.867 -14.874 1.00 0.00 WT1 H ATOM 6394 OH2 TIP3 1135 49.296 76.996 14.098 1.00 0.00 WT1 O ATOM 6395 H1 TIP3 1135 49.399 76.247 14.685 1.00 0.00 WT1 H ATOM 6396 H2 TIP3 1135 48.713 77.591 14.568 1.00 0.00 WT1 H ATOM 6397 OH2 TIP3 1136 23.310 73.412 54.485 1.00 0.00 WT1 O ATOM 6398 H1 TIP3 1136 24.215 73.108 54.555 1.00 0.00 WT1 H ATOM 6399 H2 TIP3 1136 23.127 73.406 53.545 1.00 0.00 WT1 H ATOM 6400 OH2 TIP3 1137 71.074 66.800 -11.988 1.00 0.00 WT1 O ATOM 6401 H1 TIP3 1137 70.469 66.256 -11.484 1.00 0.00 WT1 H ATOM 6402 H2 TIP3 1137 70.857 66.618 -12.902 1.00 0.00 WT1 H ATOM 6403 OH2 TIP3 1139 42.606 42.944 15.543 1.00 0.00 WT1 O ATOM 6404 H1 TIP3 1139 42.620 43.771 16.025 1.00 0.00 WT1 H ATOM 6405 H2 TIP3 1139 42.493 42.275 16.218 1.00 0.00 WT1 H ATOM 6406 OH2 TIP3 1140 46.522 68.722 58.937 1.00 0.00 WT1 O ATOM 6407 H1 TIP3 1140 46.962 67.955 58.570 1.00 0.00 WT1 H ATOM 6408 H2 TIP3 1140 46.473 69.342 58.209 1.00 0.00 WT1 H ATOM 6409 OH2 TIP3 1141 52.421 13.544 -15.387 1.00 0.00 WT1 O ATOM 6410 H1 TIP3 1141 52.831 13.324 -16.223 1.00 0.00 WT1 H ATOM 6411 H2 TIP3 1141 51.743 12.879 -15.268 1.00 0.00 WT1 H ATOM 6412 OH2 TIP3 1142 61.949 17.636 45.245 1.00 0.00 WT1 O ATOM 6413 H1 TIP3 1142 62.340 18.500 45.111 1.00 0.00 WT1 H ATOM 6414 H2 TIP3 1142 61.998 17.215 44.387 1.00 0.00 WT1 H ATOM 6415 OH2 TIP3 1143 53.188 65.387 61.964 1.00 0.00 WT1 O ATOM 6416 H1 TIP3 1143 53.097 65.602 62.892 1.00 0.00 WT1 H ATOM 6417 H2 TIP3 1143 53.712 66.102 61.602 1.00 0.00 WT1 H ATOM 6418 OH2 TIP3 1144 88.619 77.752 51.260 1.00 0.00 WT1 O ATOM 6419 H1 TIP3 1144 88.168 78.583 51.113 1.00 0.00 WT1 H ATOM 6420 H2 TIP3 1144 89.178 77.914 52.020 1.00 0.00 WT1 H ATOM 6421 OH2 TIP3 1146 24.887 39.116 8.268 1.00 0.00 WT1 O ATOM 6422 H1 TIP3 1146 25.477 38.609 8.825 1.00 0.00 WT1 H ATOM 6423 H2 TIP3 1146 24.954 40.011 8.599 1.00 0.00 WT1 H ATOM 6424 OH2 TIP3 1147 34.485 46.712 -2.058 1.00 0.00 WT1 O ATOM 6425 H1 TIP3 1147 34.611 47.575 -1.661 1.00 0.00 WT1 H ATOM 6426 H2 TIP3 1147 35.156 46.162 -1.655 1.00 0.00 WT1 H ATOM 6427 OH2 TIP3 1148 64.934 53.850 36.874 1.00 0.00 WT1 O ATOM 6428 H1 TIP3 1148 64.086 54.121 36.522 1.00 0.00 WT1 H ATOM 6429 H2 TIP3 1148 64.729 53.121 37.459 1.00 0.00 WT1 H ATOM 6430 OH2 TIP3 1149 61.965 94.368 -2.726 1.00 0.00 WT1 O ATOM 6431 H1 TIP3 1149 61.622 94.961 -2.058 1.00 0.00 WT1 H ATOM 6432 H2 TIP3 1149 62.003 94.898 -3.522 1.00 0.00 WT1 H ATOM 6433 OH2 TIP3 1151 64.758 16.124 34.272 1.00 0.00 WT1 O ATOM 6434 H1 TIP3 1151 65.304 15.391 33.988 1.00 0.00 WT1 H ATOM 6435 H2 TIP3 1151 64.782 16.739 33.539 1.00 0.00 WT1 H ATOM 6436 OH2 TIP3 1152 23.600 34.582 2.029 1.00 0.00 WT1 O ATOM 6437 H1 TIP3 1152 24.158 35.088 1.438 1.00 0.00 WT1 H ATOM 6438 H2 TIP3 1152 24.130 33.821 2.267 1.00 0.00 WT1 H ATOM 6439 OH2 TIP3 1153 35.958 44.985 48.837 1.00 0.00 WT1 O ATOM 6440 H1 TIP3 1153 36.831 44.749 48.525 1.00 0.00 WT1 H ATOM 6441 H2 TIP3 1153 35.989 45.936 48.940 1.00 0.00 WT1 H ATOM 6442 OH2 TIP3 1154 70.580 94.883 -2.639 1.00 0.00 WT1 O ATOM 6443 H1 TIP3 1154 70.587 94.821 -1.684 1.00 0.00 WT1 H ATOM 6444 H2 TIP3 1154 69.729 95.268 -2.848 1.00 0.00 WT1 H ATOM 6445 OH2 TIP3 1155 82.484 59.946 9.515 1.00 0.00 WT1 O ATOM 6446 H1 TIP3 1155 82.575 59.237 8.878 1.00 0.00 WT1 H ATOM 6447 H2 TIP3 1155 81.758 59.672 10.076 1.00 0.00 WT1 H ATOM 6448 OH2 TIP3 1156 36.771 31.979 9.384 1.00 0.00 WT1 O ATOM 6449 H1 TIP3 1156 37.482 32.614 9.296 1.00 0.00 WT1 H ATOM 6450 H2 TIP3 1156 36.329 32.225 10.197 1.00 0.00 WT1 H ATOM 6451 OH2 TIP3 1157 44.951 3.714 -4.192 1.00 0.00 WT1 O ATOM 6452 H1 TIP3 1157 44.144 4.227 -4.162 1.00 0.00 WT1 H ATOM 6453 H2 TIP3 1157 44.704 2.903 -4.636 1.00 0.00 WT1 H ATOM 6454 OH2 TIP3 1158 47.506 79.941 -8.674 1.00 0.00 WT1 O ATOM 6455 H1 TIP3 1158 48.057 80.600 -9.097 1.00 0.00 WT1 H ATOM 6456 H2 TIP3 1158 46.857 79.708 -9.337 1.00 0.00 WT1 H ATOM 6457 OH2 TIP3 1159 29.716 58.240 19.927 1.00 0.00 WT1 O ATOM 6458 H1 TIP3 1159 30.513 58.022 20.409 1.00 0.00 WT1 H ATOM 6459 H2 TIP3 1159 29.198 58.760 20.542 1.00 0.00 WT1 H ATOM 6460 OH2 TIP3 1160 49.125 37.114 25.904 1.00 0.00 WT1 O ATOM 6461 H1 TIP3 1160 49.395 36.918 25.006 1.00 0.00 WT1 H ATOM 6462 H2 TIP3 1160 48.995 36.255 26.307 1.00 0.00 WT1 H ATOM 6463 OH2 TIP3 1161 75.330 88.102 64.908 1.00 0.00 WT1 O ATOM 6464 H1 TIP3 1161 75.442 88.733 64.197 1.00 0.00 WT1 H ATOM 6465 H2 TIP3 1161 76.216 87.795 65.099 1.00 0.00 WT1 H ATOM 6466 OH2 TIP3 1162 54.192 65.950 23.922 1.00 0.00 WT1 O ATOM 6467 H1 TIP3 1162 54.576 65.096 23.725 1.00 0.00 WT1 H ATOM 6468 H2 TIP3 1162 53.248 65.796 23.919 1.00 0.00 WT1 H ATOM 6469 OH2 TIP3 1163 54.900 21.046 55.456 1.00 0.00 WT1 O ATOM 6470 H1 TIP3 1163 55.497 21.188 56.191 1.00 0.00 WT1 H ATOM 6471 H2 TIP3 1163 54.386 21.852 55.404 1.00 0.00 WT1 H ATOM 6472 OH2 TIP3 1164 62.320 30.223 -15.780 1.00 0.00 WT1 O ATOM 6473 H1 TIP3 1164 62.697 31.093 -15.651 1.00 0.00 WT1 H ATOM 6474 H2 TIP3 1164 61.878 30.028 -14.954 1.00 0.00 WT1 H ATOM 6475 OH2 TIP3 1165 68.697 22.315 -8.341 1.00 0.00 WT1 O ATOM 6476 H1 TIP3 1165 69.367 21.631 -8.364 1.00 0.00 WT1 H ATOM 6477 H2 TIP3 1165 69.187 23.134 -8.399 1.00 0.00 WT1 H ATOM 6478 OH2 TIP3 1166 58.175 35.781 13.673 1.00 0.00 WT1 O ATOM 6479 H1 TIP3 1166 58.358 36.426 14.356 1.00 0.00 WT1 H ATOM 6480 H2 TIP3 1166 57.232 35.851 13.523 1.00 0.00 WT1 H ATOM 6481 OH2 TIP3 1167 36.642 91.660 27.764 1.00 0.00 WT1 O ATOM 6482 H1 TIP3 1167 37.159 91.196 27.105 1.00 0.00 WT1 H ATOM 6483 H2 TIP3 1167 37.148 92.450 27.954 1.00 0.00 WT1 H ATOM 6484 OH2 TIP3 1168 89.811 75.072 33.424 1.00 0.00 WT1 O ATOM 6485 H1 TIP3 1168 89.343 75.067 34.259 1.00 0.00 WT1 H ATOM 6486 H2 TIP3 1168 90.402 74.321 33.475 1.00 0.00 WT1 H ATOM 6487 OH2 TIP3 1169 31.901 68.239 -2.909 1.00 0.00 WT1 O ATOM 6488 H1 TIP3 1169 32.240 68.964 -3.434 1.00 0.00 WT1 H ATOM 6489 H2 TIP3 1169 31.975 68.543 -2.005 1.00 0.00 WT1 H ATOM 6490 OH2 TIP3 1170 37.876 36.736 49.095 1.00 0.00 WT1 O ATOM 6491 H1 TIP3 1170 38.609 37.111 49.585 1.00 0.00 WT1 H ATOM 6492 H2 TIP3 1170 38.289 36.249 48.382 1.00 0.00 WT1 H ATOM 6493 OH2 TIP3 1171 27.013 87.938 26.173 1.00 0.00 WT1 O ATOM 6494 H1 TIP3 1171 26.858 87.047 26.486 1.00 0.00 WT1 H ATOM 6495 H2 TIP3 1171 27.873 88.170 26.525 1.00 0.00 WT1 H ATOM 6496 OH2 TIP3 1172 28.447 50.713 34.397 1.00 0.00 WT1 O ATOM 6497 H1 TIP3 1172 29.004 51.408 34.048 1.00 0.00 WT1 H ATOM 6498 H2 TIP3 1172 29.052 50.126 34.852 1.00 0.00 WT1 H ATOM 6499 OH2 TIP3 1173 45.375 45.751 39.876 1.00 0.00 WT1 O ATOM 6500 H1 TIP3 1173 45.138 45.328 40.702 1.00 0.00 WT1 H ATOM 6501 H2 TIP3 1173 45.319 46.688 40.063 1.00 0.00 WT1 H ATOM 6502 OH2 TIP3 1174 45.157 55.221 6.268 1.00 0.00 WT1 O ATOM 6503 H1 TIP3 1174 45.679 55.917 6.667 1.00 0.00 WT1 H ATOM 6504 H2 TIP3 1174 45.794 54.544 6.040 1.00 0.00 WT1 H ATOM 6505 OH2 TIP3 1175 83.193 76.931 18.637 1.00 0.00 WT1 O ATOM 6506 H1 TIP3 1175 82.506 77.379 19.131 1.00 0.00 WT1 H ATOM 6507 H2 TIP3 1175 82.780 76.124 18.330 1.00 0.00 WT1 H ATOM 6508 OH2 TIP3 1176 29.301 60.230 38.484 1.00 0.00 WT1 O ATOM 6509 H1 TIP3 1176 29.058 60.692 37.681 1.00 0.00 WT1 H ATOM 6510 H2 TIP3 1176 28.629 60.480 39.118 1.00 0.00 WT1 H ATOM 6511 OH2 TIP3 1177 72.127 45.376 52.030 1.00 0.00 WT1 O ATOM 6512 H1 TIP3 1177 71.957 46.268 51.727 1.00 0.00 WT1 H ATOM 6513 H2 TIP3 1177 71.279 44.936 51.971 1.00 0.00 WT1 H ATOM 6514 OH2 TIP3 1178 32.040 93.548 36.135 1.00 0.00 WT1 O ATOM 6515 H1 TIP3 1178 31.181 93.426 35.730 1.00 0.00 WT1 H ATOM 6516 H2 TIP3 1178 31.885 93.415 37.070 1.00 0.00 WT1 H ATOM 6517 OH2 TIP3 1179 22.382 51.465 49.773 1.00 0.00 WT1 O ATOM 6518 H1 TIP3 1179 21.599 51.704 50.268 1.00 0.00 WT1 H ATOM 6519 H2 TIP3 1179 22.581 52.241 49.249 1.00 0.00 WT1 H ATOM 6520 OH2 TIP3 1180 52.813 19.748 40.966 1.00 0.00 WT1 O ATOM 6521 H1 TIP3 1180 53.632 20.218 41.121 1.00 0.00 WT1 H ATOM 6522 H2 TIP3 1180 52.506 19.506 41.839 1.00 0.00 WT1 H ATOM 6523 OH2 TIP3 1181 90.124 80.174 41.679 1.00 0.00 WT1 O ATOM 6524 H1 TIP3 1181 89.930 81.108 41.758 1.00 0.00 WT1 H ATOM 6525 H2 TIP3 1181 90.182 80.019 40.736 1.00 0.00 WT1 H ATOM 6526 OH2 TIP3 1182 82.609 55.707 47.534 1.00 0.00 WT1 O ATOM 6527 H1 TIP3 1182 83.346 55.101 47.461 1.00 0.00 WT1 H ATOM 6528 H2 TIP3 1182 82.981 56.563 47.324 1.00 0.00 WT1 H ATOM 6529 OH2 TIP3 1183 83.766 74.741 -19.295 1.00 0.00 WT1 O ATOM 6530 H1 TIP3 1183 83.416 75.590 -19.026 1.00 0.00 WT1 H ATOM 6531 H2 TIP3 1183 83.140 74.418 -19.943 1.00 0.00 WT1 H ATOM 6532 OH2 TIP3 1184 74.841 95.816 35.291 1.00 0.00 WT1 O ATOM 6533 H1 TIP3 1184 74.094 96.415 35.276 1.00 0.00 WT1 H ATOM 6534 H2 TIP3 1184 74.508 95.029 35.723 1.00 0.00 WT1 H ATOM 6535 OH2 TIP3 1185 60.289 79.451 45.119 1.00 0.00 WT1 O ATOM 6536 H1 TIP3 1185 60.577 79.273 44.224 1.00 0.00 WT1 H ATOM 6537 H2 TIP3 1185 59.665 78.752 45.315 1.00 0.00 WT1 H ATOM 6538 OH2 TIP3 1186 84.898 11.801 -9.047 1.00 0.00 WT1 O ATOM 6539 H1 TIP3 1186 84.840 12.119 -9.949 1.00 0.00 WT1 H ATOM 6540 H2 TIP3 1186 84.963 12.595 -8.517 1.00 0.00 WT1 H ATOM 6541 OH2 TIP3 1188 78.439 86.277 -7.862 1.00 0.00 WT1 O ATOM 6542 H1 TIP3 1188 78.607 85.892 -7.002 1.00 0.00 WT1 H ATOM 6543 H2 TIP3 1188 78.701 85.598 -8.484 1.00 0.00 WT1 H ATOM 6544 OH2 TIP3 1189 57.127 40.657 45.676 1.00 0.00 WT1 O ATOM 6545 H1 TIP3 1189 56.578 40.769 44.900 1.00 0.00 WT1 H ATOM 6546 H2 TIP3 1189 57.890 41.212 45.512 1.00 0.00 WT1 H ATOM 6547 OH2 TIP3 1190 42.666 45.110 39.753 1.00 0.00 WT1 O ATOM 6548 H1 TIP3 1190 43.469 45.536 39.453 1.00 0.00 WT1 H ATOM 6549 H2 TIP3 1190 42.016 45.813 39.778 1.00 0.00 WT1 H ATOM 6550 OH2 TIP3 1191 62.133 17.358 33.881 1.00 0.00 WT1 O ATOM 6551 H1 TIP3 1191 63.035 17.112 34.089 1.00 0.00 WT1 H ATOM 6552 H2 TIP3 1191 61.600 16.663 34.267 1.00 0.00 WT1 H ATOM 6553 OH2 TIP3 1192 38.598 6.056 48.390 1.00 0.00 WT1 O ATOM 6554 H1 TIP3 1192 38.739 6.037 47.444 1.00 0.00 WT1 H ATOM 6555 H2 TIP3 1192 39.086 5.302 48.721 1.00 0.00 WT1 H ATOM 6556 OH2 TIP3 1194 77.100 46.408 52.990 1.00 0.00 WT1 O ATOM 6557 H1 TIP3 1194 76.146 46.472 52.955 1.00 0.00 WT1 H ATOM 6558 H2 TIP3 1194 77.392 47.294 53.202 1.00 0.00 WT1 H ATOM 6559 OH2 TIP3 1195 41.742 86.874 -10.877 1.00 0.00 WT1 O ATOM 6560 H1 TIP3 1195 41.291 86.837 -10.033 1.00 0.00 WT1 H ATOM 6561 H2 TIP3 1195 41.039 86.958 -11.521 1.00 0.00 WT1 H ATOM 6562 OH2 TIP3 1196 60.177 22.184 26.192 1.00 0.00 WT1 O ATOM 6563 H1 TIP3 1196 59.504 22.490 25.584 1.00 0.00 WT1 H ATOM 6564 H2 TIP3 1196 60.451 22.971 26.662 1.00 0.00 WT1 H ATOM 6565 OH2 TIP3 1197 28.996 48.836 26.447 1.00 0.00 WT1 O ATOM 6566 H1 TIP3 1197 29.451 49.128 27.237 1.00 0.00 WT1 H ATOM 6567 H2 TIP3 1197 28.542 48.036 26.714 1.00 0.00 WT1 H ATOM 6568 OH2 TIP3 1198 63.301 26.418 33.776 1.00 0.00 WT1 O ATOM 6569 H1 TIP3 1198 62.974 27.311 33.670 1.00 0.00 WT1 H ATOM 6570 H2 TIP3 1198 64.183 26.526 34.133 1.00 0.00 WT1 H ATOM 6571 OH2 TIP3 1199 63.247 60.057 24.670 1.00 0.00 WT1 O ATOM 6572 H1 TIP3 1199 63.291 60.201 23.725 1.00 0.00 WT1 H ATOM 6573 H2 TIP3 1199 62.310 60.027 24.865 1.00 0.00 WT1 H ATOM 6574 OH2 TIP3 1200 66.900 36.488 -12.966 1.00 0.00 WT1 O ATOM 6575 H1 TIP3 1200 66.510 37.212 -12.476 1.00 0.00 WT1 H ATOM 6576 H2 TIP3 1200 67.844 36.609 -12.863 1.00 0.00 WT1 H ATOM 6577 OH2 TIP3 1201 55.873 41.339 2.101 1.00 0.00 WT1 O ATOM 6578 H1 TIP3 1201 56.052 41.197 3.031 1.00 0.00 WT1 H ATOM 6579 H2 TIP3 1201 56.034 40.488 1.693 1.00 0.00 WT1 H ATOM 6580 OH2 TIP3 1202 85.969 27.320 62.021 1.00 0.00 WT1 O ATOM 6581 H1 TIP3 1202 86.268 26.853 61.241 1.00 0.00 WT1 H ATOM 6582 H2 TIP3 1202 85.397 26.697 62.469 1.00 0.00 WT1 H ATOM 6583 OH2 TIP3 1203 67.446 31.422 57.025 1.00 0.00 WT1 O ATOM 6584 H1 TIP3 1203 66.526 31.292 56.794 1.00 0.00 WT1 H ATOM 6585 H2 TIP3 1203 67.505 32.347 57.264 1.00 0.00 WT1 H ATOM 6586 OH2 TIP3 1204 39.454 82.942 32.735 1.00 0.00 WT1 O ATOM 6587 H1 TIP3 1204 39.592 82.962 31.788 1.00 0.00 WT1 H ATOM 6588 H2 TIP3 1204 38.842 83.658 32.903 1.00 0.00 WT1 H ATOM 6589 OH2 TIP3 1205 50.301 48.886 -9.027 1.00 0.00 WT1 O ATOM 6590 H1 TIP3 1205 49.797 49.251 -9.754 1.00 0.00 WT1 H ATOM 6591 H2 TIP3 1205 49.958 49.328 -8.251 1.00 0.00 WT1 H ATOM 6592 OH2 TIP3 1206 31.508 90.528 30.192 1.00 0.00 WT1 O ATOM 6593 H1 TIP3 1206 31.273 89.620 30.383 1.00 0.00 WT1 H ATOM 6594 H2 TIP3 1206 30.713 91.026 30.382 1.00 0.00 WT1 H ATOM 6595 OH2 TIP3 1207 20.780 78.559 64.565 1.00 0.00 WT1 O ATOM 6596 H1 TIP3 1207 20.944 79.474 64.794 1.00 0.00 WT1 H ATOM 6597 H2 TIP3 1207 20.541 78.143 65.393 1.00 0.00 WT1 H ATOM 6598 OH2 TIP3 1208 62.436 30.535 29.305 1.00 0.00 WT1 O ATOM 6599 H1 TIP3 1208 63.106 30.400 28.635 1.00 0.00 WT1 H ATOM 6600 H2 TIP3 1208 62.682 31.356 29.730 1.00 0.00 WT1 H ATOM 6601 OH2 TIP3 1209 72.107 29.945 18.539 1.00 0.00 WT1 O ATOM 6602 H1 TIP3 1209 71.743 29.219 18.032 1.00 0.00 WT1 H ATOM 6603 H2 TIP3 1209 73.054 29.867 18.426 1.00 0.00 WT1 H ATOM 6604 OH2 TIP3 1210 31.457 54.862 11.380 1.00 0.00 WT1 O ATOM 6605 H1 TIP3 1210 32.255 54.333 11.391 1.00 0.00 WT1 H ATOM 6606 H2 TIP3 1210 31.627 55.540 10.727 1.00 0.00 WT1 H ATOM 6607 OH2 TIP3 1211 68.356 39.974 1.961 1.00 0.00 WT1 O ATOM 6608 H1 TIP3 1211 68.826 39.525 2.663 1.00 0.00 WT1 H ATOM 6609 H2 TIP3 1211 68.933 40.695 1.709 1.00 0.00 WT1 H ATOM 6610 OH2 TIP3 1212 44.104 14.475 25.879 1.00 0.00 WT1 O ATOM 6611 H1 TIP3 1212 43.179 14.643 25.701 1.00 0.00 WT1 H ATOM 6612 H2 TIP3 1212 44.525 14.515 25.021 1.00 0.00 WT1 H ATOM 6613 OH2 TIP3 1213 68.339 46.928 38.798 1.00 0.00 WT1 O ATOM 6614 H1 TIP3 1213 68.407 46.115 39.299 1.00 0.00 WT1 H ATOM 6615 H2 TIP3 1213 67.400 47.042 38.652 1.00 0.00 WT1 H ATOM 6616 OH2 TIP3 1214 74.007 52.436 41.398 1.00 0.00 WT1 O ATOM 6617 H1 TIP3 1214 73.183 52.586 40.936 1.00 0.00 WT1 H ATOM 6618 H2 TIP3 1214 74.043 51.488 41.524 1.00 0.00 WT1 H ATOM 6619 OH2 TIP3 1215 38.898 61.767 39.252 1.00 0.00 WT1 O ATOM 6620 H1 TIP3 1215 39.244 62.599 38.929 1.00 0.00 WT1 H ATOM 6621 H2 TIP3 1215 37.948 61.864 39.193 1.00 0.00 WT1 H ATOM 6622 OH2 TIP3 1216 86.813 61.788 26.616 1.00 0.00 WT1 O ATOM 6623 H1 TIP3 1216 86.107 61.438 26.074 1.00 0.00 WT1 H ATOM 6624 H2 TIP3 1216 87.554 61.204 26.453 1.00 0.00 WT1 H ATOM 6625 OH2 TIP3 1217 32.077 11.130 32.292 1.00 0.00 WT1 O ATOM 6626 H1 TIP3 1217 31.892 12.053 32.463 1.00 0.00 WT1 H ATOM 6627 H2 TIP3 1217 33.028 11.091 32.187 1.00 0.00 WT1 H ATOM 6628 OH2 TIP3 1218 51.628 42.449 40.744 1.00 0.00 WT1 O ATOM 6629 H1 TIP3 1218 52.546 42.669 40.587 1.00 0.00 WT1 H ATOM 6630 H2 TIP3 1218 51.196 42.608 39.905 1.00 0.00 WT1 H ATOM 6631 OH2 TIP3 1219 25.794 54.063 63.800 1.00 0.00 WT1 O ATOM 6632 H1 TIP3 1219 26.274 53.500 64.407 1.00 0.00 WT1 H ATOM 6633 H2 TIP3 1219 26.459 54.649 63.438 1.00 0.00 WT1 H ATOM 6634 OH2 TIP3 1220 24.332 91.501 22.344 1.00 0.00 WT1 O ATOM 6635 H1 TIP3 1220 23.518 91.535 22.847 1.00 0.00 WT1 H ATOM 6636 H2 TIP3 1220 24.402 90.588 22.062 1.00 0.00 WT1 H ATOM 6637 OH2 TIP3 1221 51.963 40.057 53.383 1.00 0.00 WT1 O ATOM 6638 H1 TIP3 1221 51.805 40.580 54.169 1.00 0.00 WT1 H ATOM 6639 H2 TIP3 1221 52.082 39.165 53.709 1.00 0.00 WT1 H ATOM 6640 OH2 TIP3 1222 52.103 43.015 47.825 1.00 0.00 WT1 O ATOM 6641 H1 TIP3 1222 52.417 43.342 46.982 1.00 0.00 WT1 H ATOM 6642 H2 TIP3 1222 51.228 43.392 47.917 1.00 0.00 WT1 H ATOM 6643 OH2 TIP3 1223 42.195 40.837 -17.326 1.00 0.00 WT1 O ATOM 6644 H1 TIP3 1223 41.468 41.392 -17.606 1.00 0.00 WT1 H ATOM 6645 H2 TIP3 1223 42.098 40.776 -16.376 1.00 0.00 WT1 H ATOM 6646 OH2 TIP3 1224 37.955 35.729 -6.656 1.00 0.00 WT1 O ATOM 6647 H1 TIP3 1224 38.323 36.187 -5.900 1.00 0.00 WT1 H ATOM 6648 H2 TIP3 1224 37.255 36.302 -6.967 1.00 0.00 WT1 H ATOM 6649 OH2 TIP3 1225 31.653 12.280 -13.512 1.00 0.00 WT1 O ATOM 6650 H1 TIP3 1225 32.188 11.610 -13.938 1.00 0.00 WT1 H ATOM 6651 H2 TIP3 1225 32.224 12.652 -12.840 1.00 0.00 WT1 H ATOM 6652 OH2 TIP3 1226 30.768 40.369 64.139 1.00 0.00 WT1 O ATOM 6653 H1 TIP3 1226 31.065 40.798 64.942 1.00 0.00 WT1 H ATOM 6654 H2 TIP3 1226 30.984 39.445 64.266 1.00 0.00 WT1 H ATOM 6655 OH2 TIP3 1227 72.666 51.768 60.477 1.00 0.00 WT1 O ATOM 6656 H1 TIP3 1227 73.083 52.578 60.769 1.00 0.00 WT1 H ATOM 6657 H2 TIP3 1227 72.110 52.034 59.745 1.00 0.00 WT1 H ATOM 6658 OH2 TIP3 1228 42.477 35.735 52.234 1.00 0.00 WT1 O ATOM 6659 H1 TIP3 1228 43.198 35.282 52.671 1.00 0.00 WT1 H ATOM 6660 H2 TIP3 1228 42.897 36.458 51.767 1.00 0.00 WT1 H ATOM 6661 OH2 TIP3 1229 50.132 33.880 20.572 1.00 0.00 WT1 O ATOM 6662 H1 TIP3 1229 49.361 33.569 21.047 1.00 0.00 WT1 H ATOM 6663 H2 TIP3 1229 50.515 34.544 21.145 1.00 0.00 WT1 H ATOM 6664 OH2 TIP3 1230 86.653 45.240 8.730 1.00 0.00 WT1 O ATOM 6665 H1 TIP3 1230 86.380 45.281 9.646 1.00 0.00 WT1 H ATOM 6666 H2 TIP3 1230 86.062 45.840 8.275 1.00 0.00 WT1 H ATOM 6667 OH2 TIP3 1231 46.416 84.234 -3.499 1.00 0.00 WT1 O ATOM 6668 H1 TIP3 1231 46.767 84.821 -2.829 1.00 0.00 WT1 H ATOM 6669 H2 TIP3 1231 47.042 83.511 -3.536 1.00 0.00 WT1 H ATOM 6670 OH2 TIP3 1233 44.505 37.511 43.190 1.00 0.00 WT1 O ATOM 6671 H1 TIP3 1233 44.215 37.811 44.051 1.00 0.00 WT1 H ATOM 6672 H2 TIP3 1233 44.206 38.190 42.586 1.00 0.00 WT1 H ATOM 6673 OH2 TIP3 1234 89.139 34.590 39.914 1.00 0.00 WT1 O ATOM 6674 H1 TIP3 1234 90.049 34.502 40.197 1.00 0.00 WT1 H ATOM 6675 H2 TIP3 1234 88.796 33.696 39.929 1.00 0.00 WT1 H ATOM 6676 OH2 TIP3 1235 52.314 72.009 57.004 1.00 0.00 WT1 O ATOM 6677 H1 TIP3 1235 51.360 71.950 57.038 1.00 0.00 WT1 H ATOM 6678 H2 TIP3 1235 52.592 71.186 56.602 1.00 0.00 WT1 H ATOM 6679 OH2 TIP3 1236 71.843 58.398 35.815 1.00 0.00 WT1 O ATOM 6680 H1 TIP3 1236 72.251 59.194 36.156 1.00 0.00 WT1 H ATOM 6681 H2 TIP3 1236 70.912 58.501 36.013 1.00 0.00 WT1 H ATOM 6682 OH2 TIP3 1237 20.791 34.452 27.654 1.00 0.00 WT1 O ATOM 6683 H1 TIP3 1237 21.506 35.059 27.462 1.00 0.00 WT1 H ATOM 6684 H2 TIP3 1237 20.095 34.701 27.046 1.00 0.00 WT1 H ATOM 6685 OH2 TIP3 1238 62.404 34.650 36.603 1.00 0.00 WT1 O ATOM 6686 H1 TIP3 1238 62.350 33.815 36.138 1.00 0.00 WT1 H ATOM 6687 H2 TIP3 1238 62.436 35.309 35.909 1.00 0.00 WT1 H ATOM 6688 OH2 TIP3 1239 56.804 46.948 32.545 1.00 0.00 WT1 O ATOM 6689 H1 TIP3 1239 57.233 47.663 32.074 1.00 0.00 WT1 H ATOM 6690 H2 TIP3 1239 56.582 46.312 31.865 1.00 0.00 WT1 H ATOM 6691 OH2 TIP3 1240 24.875 72.865 -10.513 1.00 0.00 WT1 O ATOM 6692 H1 TIP3 1240 25.546 72.812 -9.832 1.00 0.00 WT1 H ATOM 6693 H2 TIP3 1240 24.064 72.614 -10.071 1.00 0.00 WT1 H ATOM 6694 OH2 TIP3 1242 48.774 86.708 27.432 1.00 0.00 WT1 O ATOM 6695 H1 TIP3 1242 48.973 86.141 26.686 1.00 0.00 WT1 H ATOM 6696 H2 TIP3 1242 48.964 86.170 28.200 1.00 0.00 WT1 H ATOM 6697 OH2 TIP3 1243 54.768 73.958 32.623 1.00 0.00 WT1 O ATOM 6698 H1 TIP3 1243 54.443 73.544 33.423 1.00 0.00 WT1 H ATOM 6699 H2 TIP3 1243 54.410 73.424 31.914 1.00 0.00 WT1 H ATOM 6700 OH2 TIP3 1244 80.888 40.413 -2.187 1.00 0.00 WT1 O ATOM 6701 H1 TIP3 1244 80.031 40.163 -2.532 1.00 0.00 WT1 H ATOM 6702 H2 TIP3 1244 80.735 41.249 -1.747 1.00 0.00 WT1 H ATOM 6703 OH2 TIP3 1245 22.785 36.712 45.801 1.00 0.00 WT1 O ATOM 6704 H1 TIP3 1245 23.634 36.867 46.216 1.00 0.00 WT1 H ATOM 6705 H2 TIP3 1245 22.679 37.441 45.190 1.00 0.00 WT1 H ATOM 6706 OH2 TIP3 1246 79.452 46.932 55.104 1.00 0.00 WT1 O ATOM 6707 H1 TIP3 1246 79.083 47.581 54.506 1.00 0.00 WT1 H ATOM 6708 H2 TIP3 1246 79.877 47.450 55.788 1.00 0.00 WT1 H ATOM 6709 OH2 TIP3 1247 85.650 55.212 23.151 1.00 0.00 WT1 O ATOM 6710 H1 TIP3 1247 86.243 55.178 22.400 1.00 0.00 WT1 H ATOM 6711 H2 TIP3 1247 84.888 54.702 22.879 1.00 0.00 WT1 H ATOM 6712 OH2 TIP3 1248 37.444 61.779 65.805 1.00 0.00 WT1 O ATOM 6713 H1 TIP3 1248 38.014 62.187 66.456 1.00 0.00 WT1 H ATOM 6714 H2 TIP3 1248 36.570 62.111 66.010 1.00 0.00 WT1 H ATOM 6715 OH2 TIP3 1249 25.514 54.703 13.052 1.00 0.00 WT1 O ATOM 6716 H1 TIP3 1249 26.407 55.045 13.013 1.00 0.00 WT1 H ATOM 6717 H2 TIP3 1249 25.513 54.119 13.810 1.00 0.00 WT1 H ATOM 6718 OH2 TIP3 1250 78.565 4.529 37.147 1.00 0.00 WT1 O ATOM 6719 H1 TIP3 1250 79.401 4.981 37.261 1.00 0.00 WT1 H ATOM 6720 H2 TIP3 1250 78.734 3.882 36.462 1.00 0.00 WT1 H ATOM 6721 OH2 TIP3 1253 80.628 93.686 56.540 1.00 0.00 WT1 O ATOM 6722 H1 TIP3 1253 81.456 94.143 56.390 1.00 0.00 WT1 H ATOM 6723 H2 TIP3 1253 80.875 92.891 57.012 1.00 0.00 WT1 H ATOM 6724 OH2 TIP3 1254 26.635 18.055 -19.121 1.00 0.00 WT1 O ATOM 6725 H1 TIP3 1254 25.909 17.551 -18.752 1.00 0.00 WT1 H ATOM 6726 H2 TIP3 1254 26.460 18.074 -20.062 1.00 0.00 WT1 H ATOM 6727 OH2 TIP3 1255 84.598 45.209 31.250 1.00 0.00 WT1 O ATOM 6728 H1 TIP3 1255 85.407 45.064 30.758 1.00 0.00 WT1 H ATOM 6729 H2 TIP3 1255 83.952 44.650 30.820 1.00 0.00 WT1 H ATOM 6730 OH2 TIP3 1256 36.092 61.933 61.822 1.00 0.00 WT1 O ATOM 6731 H1 TIP3 1256 36.540 62.234 61.032 1.00 0.00 WT1 H ATOM 6732 H2 TIP3 1256 35.420 61.331 61.502 1.00 0.00 WT1 H ATOM 6733 OH2 TIP3 1257 29.884 42.149 22.656 1.00 0.00 WT1 O ATOM 6734 H1 TIP3 1257 29.886 42.766 23.388 1.00 0.00 WT1 H ATOM 6735 H2 TIP3 1257 29.243 42.508 22.041 1.00 0.00 WT1 H ATOM 6736 OH2 TIP3 1258 26.124 53.757 20.661 1.00 0.00 WT1 O ATOM 6737 H1 TIP3 1258 26.230 53.515 19.742 1.00 0.00 WT1 H ATOM 6738 H2 TIP3 1258 26.182 52.928 21.136 1.00 0.00 WT1 H ATOM 6739 OH2 TIP3 1259 23.600 5.374 2.295 1.00 0.00 WT1 O ATOM 6740 H1 TIP3 1259 23.312 4.464 2.218 1.00 0.00 WT1 H ATOM 6741 H2 TIP3 1259 22.793 5.870 2.428 1.00 0.00 WT1 H ATOM 6742 OH2 TIP3 1260 36.500 45.565 7.574 1.00 0.00 WT1 O ATOM 6743 H1 TIP3 1260 37.119 46.048 8.121 1.00 0.00 WT1 H ATOM 6744 H2 TIP3 1260 36.704 44.644 7.736 1.00 0.00 WT1 H ATOM 6745 OH2 TIP3 1261 79.797 45.722 58.680 1.00 0.00 WT1 O ATOM 6746 H1 TIP3 1261 80.324 46.470 58.398 1.00 0.00 WT1 H ATOM 6747 H2 TIP3 1261 79.055 46.112 59.143 1.00 0.00 WT1 H ATOM 6748 OH2 TIP3 1262 57.296 10.432 51.793 1.00 0.00 WT1 O ATOM 6749 H1 TIP3 1262 56.805 10.385 52.614 1.00 0.00 WT1 H ATOM 6750 H2 TIP3 1262 57.743 11.277 51.828 1.00 0.00 WT1 H ATOM 6751 OH2 TIP3 1263 28.799 18.781 30.556 1.00 0.00 WT1 O ATOM 6752 H1 TIP3 1263 28.024 19.229 30.895 1.00 0.00 WT1 H ATOM 6753 H2 TIP3 1263 28.707 17.879 30.860 1.00 0.00 WT1 H ATOM 6754 OH2 TIP3 1264 55.724 41.551 -6.416 1.00 0.00 WT1 O ATOM 6755 H1 TIP3 1264 56.413 42.112 -6.061 1.00 0.00 WT1 H ATOM 6756 H2 TIP3 1264 54.909 42.002 -6.196 1.00 0.00 WT1 H ATOM 6757 OH2 TIP3 1265 24.309 92.129 55.594 1.00 0.00 WT1 O ATOM 6758 H1 TIP3 1265 24.535 91.517 54.894 1.00 0.00 WT1 H ATOM 6759 H2 TIP3 1265 25.031 92.757 55.607 1.00 0.00 WT1 H ATOM 6760 OH2 TIP3 1266 89.803 58.873 29.349 1.00 0.00 WT1 O ATOM 6761 H1 TIP3 1266 89.459 59.733 29.590 1.00 0.00 WT1 H ATOM 6762 H2 TIP3 1266 90.453 59.057 28.671 1.00 0.00 WT1 H ATOM 6763 OH2 TIP3 1267 70.858 42.748 43.620 1.00 0.00 WT1 O ATOM 6764 H1 TIP3 1267 71.444 43.504 43.655 1.00 0.00 WT1 H ATOM 6765 H2 TIP3 1267 71.350 42.085 43.137 1.00 0.00 WT1 H ATOM 6766 OH2 TIP3 1268 39.560 38.758 -8.159 1.00 0.00 WT1 O ATOM 6767 H1 TIP3 1268 39.754 39.693 -8.105 1.00 0.00 WT1 H ATOM 6768 H2 TIP3 1268 39.307 38.618 -9.072 1.00 0.00 WT1 H ATOM 6769 OH2 TIP3 1269 59.171 65.729 -19.957 1.00 0.00 WT1 O ATOM 6770 H1 TIP3 1269 60.003 65.469 -19.563 1.00 0.00 WT1 H ATOM 6771 H2 TIP3 1269 58.519 65.559 -19.277 1.00 0.00 WT1 H ATOM 6772 OH2 TIP3 1270 54.238 5.035 59.388 1.00 0.00 WT1 O ATOM 6773 H1 TIP3 1270 53.674 5.474 60.024 1.00 0.00 WT1 H ATOM 6774 H2 TIP3 1270 55.105 5.414 59.535 1.00 0.00 WT1 H ATOM 6775 OH2 TIP3 1271 57.404 30.766 67.007 1.00 0.00 WT1 O ATOM 6776 H1 TIP3 1271 56.892 31.174 66.309 1.00 0.00 WT1 H ATOM 6777 H2 TIP3 1271 58.171 31.332 67.104 1.00 0.00 WT1 H ATOM 6778 OH2 TIP3 1272 33.387 13.333 27.440 1.00 0.00 WT1 O ATOM 6779 H1 TIP3 1272 33.331 12.859 26.610 1.00 0.00 WT1 H ATOM 6780 H2 TIP3 1272 34.061 13.997 27.293 1.00 0.00 WT1 H ATOM 6781 OH2 TIP3 1273 72.209 64.945 -6.529 1.00 0.00 WT1 O ATOM 6782 H1 TIP3 1273 72.019 64.521 -5.692 1.00 0.00 WT1 H ATOM 6783 H2 TIP3 1273 71.676 64.468 -7.166 1.00 0.00 WT1 H ATOM 6784 OH2 TIP3 1274 40.460 57.757 8.594 1.00 0.00 WT1 O ATOM 6785 H1 TIP3 1274 40.901 57.589 9.427 1.00 0.00 WT1 H ATOM 6786 H2 TIP3 1274 41.105 57.515 7.929 1.00 0.00 WT1 H ATOM 6787 OH2 TIP3 1275 86.648 32.185 57.049 1.00 0.00 WT1 O ATOM 6788 H1 TIP3 1275 87.205 32.171 57.827 1.00 0.00 WT1 H ATOM 6789 H2 TIP3 1275 86.252 31.315 57.021 1.00 0.00 WT1 H ATOM 6790 OH2 TIP3 1276 24.487 71.560 57.100 1.00 0.00 WT1 O ATOM 6791 H1 TIP3 1276 23.783 71.716 57.730 1.00 0.00 WT1 H ATOM 6792 H2 TIP3 1276 24.044 71.202 56.330 1.00 0.00 WT1 H ATOM 6793 OH2 TIP3 1277 78.904 91.404 32.777 1.00 0.00 WT1 O ATOM 6794 H1 TIP3 1277 78.213 90.744 32.731 1.00 0.00 WT1 H ATOM 6795 H2 TIP3 1277 79.649 91.004 32.329 1.00 0.00 WT1 H ATOM 6796 OH2 TIP3 1278 65.173 20.367 61.463 1.00 0.00 WT1 O ATOM 6797 H1 TIP3 1278 66.047 20.602 61.151 1.00 0.00 WT1 H ATOM 6798 H2 TIP3 1278 65.314 20.048 62.355 1.00 0.00 WT1 H ATOM 6799 OH2 TIP3 1279 50.473 11.882 29.775 1.00 0.00 WT1 O ATOM 6800 H1 TIP3 1279 51.392 12.003 30.015 1.00 0.00 WT1 H ATOM 6801 H2 TIP3 1279 50.407 12.237 28.889 1.00 0.00 WT1 H ATOM 6802 OH2 TIP3 1281 50.603 45.675 33.631 1.00 0.00 WT1 O ATOM 6803 H1 TIP3 1281 51.543 45.518 33.546 1.00 0.00 WT1 H ATOM 6804 H2 TIP3 1281 50.471 46.548 33.261 1.00 0.00 WT1 H ATOM 6805 OH2 TIP3 1282 63.872 27.969 24.835 1.00 0.00 WT1 O ATOM 6806 H1 TIP3 1282 63.153 27.592 24.328 1.00 0.00 WT1 H ATOM 6807 H2 TIP3 1282 64.311 28.561 24.224 1.00 0.00 WT1 H ATOM 6808 OH2 TIP3 1283 20.908 26.438 -2.808 1.00 0.00 WT1 O ATOM 6809 H1 TIP3 1283 20.331 25.790 -3.212 1.00 0.00 WT1 H ATOM 6810 H2 TIP3 1283 20.569 27.281 -3.107 1.00 0.00 WT1 H ATOM 6811 OH2 TIP3 1284 26.894 69.099 -16.027 1.00 0.00 WT1 O ATOM 6812 H1 TIP3 1284 26.865 68.172 -15.793 1.00 0.00 WT1 H ATOM 6813 H2 TIP3 1284 26.765 69.560 -15.198 1.00 0.00 WT1 H ATOM 6814 OH2 TIP3 1285 88.761 49.802 31.113 1.00 0.00 WT1 O ATOM 6815 H1 TIP3 1285 87.974 49.501 30.659 1.00 0.00 WT1 H ATOM 6816 H2 TIP3 1285 88.803 50.740 30.925 1.00 0.00 WT1 H ATOM 6817 OH2 TIP3 1286 88.099 75.291 -15.509 1.00 0.00 WT1 O ATOM 6818 H1 TIP3 1286 88.540 74.965 -14.724 1.00 0.00 WT1 H ATOM 6819 H2 TIP3 1286 87.440 74.626 -15.708 1.00 0.00 WT1 H ATOM 6820 OH2 TIP3 1287 20.777 60.770 47.651 1.00 0.00 WT1 O ATOM 6821 H1 TIP3 1287 20.405 60.192 48.318 1.00 0.00 WT1 H ATOM 6822 H2 TIP3 1287 20.719 60.267 46.839 1.00 0.00 WT1 H ATOM 6823 OH2 TIP3 1288 28.148 63.320 13.389 1.00 0.00 WT1 O ATOM 6824 H1 TIP3 1288 28.597 62.605 13.841 1.00 0.00 WT1 H ATOM 6825 H2 TIP3 1288 28.226 64.066 13.983 1.00 0.00 WT1 H ATOM 6826 OH2 TIP3 1289 59.011 76.826 -0.998 1.00 0.00 WT1 O ATOM 6827 H1 TIP3 1289 58.532 76.218 -1.560 1.00 0.00 WT1 H ATOM 6828 H2 TIP3 1289 58.620 76.711 -0.132 1.00 0.00 WT1 H ATOM 6829 OH2 TIP3 1290 87.802 54.532 8.959 1.00 0.00 WT1 O ATOM 6830 H1 TIP3 1290 87.981 55.237 9.582 1.00 0.00 WT1 H ATOM 6831 H2 TIP3 1290 88.668 54.234 8.679 1.00 0.00 WT1 H ATOM 6832 OH2 TIP3 1291 35.323 77.273 12.287 1.00 0.00 WT1 O ATOM 6833 H1 TIP3 1291 35.019 76.376 12.146 1.00 0.00 WT1 H ATOM 6834 H2 TIP3 1291 35.606 77.569 11.422 1.00 0.00 WT1 H ATOM 6835 OH2 TIP3 1292 36.047 66.992 23.494 1.00 0.00 WT1 O ATOM 6836 H1 TIP3 1292 36.763 67.144 22.877 1.00 0.00 WT1 H ATOM 6837 H2 TIP3 1292 36.316 66.217 23.988 1.00 0.00 WT1 H ATOM 6838 OH2 TIP3 1293 46.833 55.923 19.233 1.00 0.00 WT1 O ATOM 6839 H1 TIP3 1293 46.278 55.333 18.724 1.00 0.00 WT1 H ATOM 6840 H2 TIP3 1293 47.704 55.527 19.195 1.00 0.00 WT1 H ATOM 6841 OH2 TIP3 1295 28.342 57.272 4.668 1.00 0.00 WT1 O ATOM 6842 H1 TIP3 1295 28.862 57.086 5.450 1.00 0.00 WT1 H ATOM 6843 H2 TIP3 1295 28.570 58.172 4.437 1.00 0.00 WT1 H ATOM 6844 OH2 TIP3 1296 72.378 58.903 8.883 1.00 0.00 WT1 O ATOM 6845 H1 TIP3 1296 72.072 59.785 8.670 1.00 0.00 WT1 H ATOM 6846 H2 TIP3 1296 71.661 58.329 8.616 1.00 0.00 WT1 H ATOM 6847 OH2 TIP3 1297 88.973 41.802 7.787 1.00 0.00 WT1 O ATOM 6848 H1 TIP3 1297 88.335 41.458 7.162 1.00 0.00 WT1 H ATOM 6849 H2 TIP3 1297 88.455 42.030 8.559 1.00 0.00 WT1 H ATOM 6850 OH2 TIP3 1298 86.921 25.967 -10.023 1.00 0.00 WT1 O ATOM 6851 H1 TIP3 1298 86.371 26.445 -10.643 1.00 0.00 WT1 H ATOM 6852 H2 TIP3 1298 86.301 25.504 -9.460 1.00 0.00 WT1 H ATOM 6853 OH2 TIP3 1299 67.342 59.887 37.712 1.00 0.00 WT1 O ATOM 6854 H1 TIP3 1299 66.557 59.342 37.759 1.00 0.00 WT1 H ATOM 6855 H2 TIP3 1299 67.102 60.603 37.123 1.00 0.00 WT1 H ATOM 6856 OH2 TIP3 1300 47.107 64.370 9.640 1.00 0.00 WT1 O ATOM 6857 H1 TIP3 1300 47.751 64.725 10.253 1.00 0.00 WT1 H ATOM 6858 H2 TIP3 1300 46.267 64.476 10.087 1.00 0.00 WT1 H ATOM 6859 OH2 TIP3 1301 28.611 23.172 34.028 1.00 0.00 WT1 O ATOM 6860 H1 TIP3 1301 28.542 24.123 34.115 1.00 0.00 WT1 H ATOM 6861 H2 TIP3 1301 27.856 22.925 33.493 1.00 0.00 WT1 H ATOM 6862 OH2 TIP3 1302 46.503 37.654 61.552 1.00 0.00 WT1 O ATOM 6863 H1 TIP3 1302 46.989 38.126 62.228 1.00 0.00 WT1 H ATOM 6864 H2 TIP3 1302 45.792 38.246 61.309 1.00 0.00 WT1 H ATOM 6865 OH2 TIP3 1303 39.988 11.400 60.919 1.00 0.00 WT1 O ATOM 6866 H1 TIP3 1303 39.207 11.537 60.383 1.00 0.00 WT1 H ATOM 6867 H2 TIP3 1303 39.668 11.435 61.821 1.00 0.00 WT1 H ATOM 6868 OH2 TIP3 1304 60.612 56.832 -8.579 1.00 0.00 WT1 O ATOM 6869 H1 TIP3 1304 59.659 56.802 -8.659 1.00 0.00 WT1 H ATOM 6870 H2 TIP3 1304 60.933 56.589 -9.447 1.00 0.00 WT1 H ATOM 6871 OH2 TIP3 1305 23.142 22.911 -7.861 1.00 0.00 WT1 O ATOM 6872 H1 TIP3 1305 23.163 23.794 -7.491 1.00 0.00 WT1 H ATOM 6873 H2 TIP3 1305 23.836 22.912 -8.521 1.00 0.00 WT1 H ATOM 6874 OH2 TIP3 1306 42.000 48.058 15.363 1.00 0.00 WT1 O ATOM 6875 H1 TIP3 1306 42.710 47.442 15.544 1.00 0.00 WT1 H ATOM 6876 H2 TIP3 1306 42.220 48.835 15.878 1.00 0.00 WT1 H ATOM 6877 OH2 TIP3 1307 29.680 22.506 -2.372 1.00 0.00 WT1 O ATOM 6878 H1 TIP3 1307 30.184 22.509 -1.558 1.00 0.00 WT1 H ATOM 6879 H2 TIP3 1307 29.887 21.664 -2.778 1.00 0.00 WT1 H ATOM 6880 OH2 TIP3 1308 76.628 40.004 -18.767 1.00 0.00 WT1 O ATOM 6881 H1 TIP3 1308 76.645 39.095 -19.067 1.00 0.00 WT1 H ATOM 6882 H2 TIP3 1308 76.305 40.499 -19.520 1.00 0.00 WT1 H ATOM 6883 OH2 TIP3 1309 66.163 16.071 15.405 1.00 0.00 WT1 O ATOM 6884 H1 TIP3 1309 65.342 16.543 15.262 1.00 0.00 WT1 H ATOM 6885 H2 TIP3 1309 65.992 15.188 15.077 1.00 0.00 WT1 H ATOM 6886 OH2 TIP3 1311 30.343 76.856 34.853 1.00 0.00 WT1 O ATOM 6887 H1 TIP3 1311 29.773 77.241 35.518 1.00 0.00 WT1 H ATOM 6888 H2 TIP3 1311 30.667 77.605 34.352 1.00 0.00 WT1 H ATOM 6889 OH2 TIP3 1312 86.093 7.508 -1.627 1.00 0.00 WT1 O ATOM 6890 H1 TIP3 1312 86.840 6.982 -1.341 1.00 0.00 WT1 H ATOM 6891 H2 TIP3 1312 86.177 8.328 -1.140 1.00 0.00 WT1 H ATOM 6892 OH2 TIP3 1313 86.404 2.535 44.785 1.00 0.00 WT1 O ATOM 6893 H1 TIP3 1313 87.205 2.031 44.929 1.00 0.00 WT1 H ATOM 6894 H2 TIP3 1313 85.852 1.962 44.254 1.00 0.00 WT1 H ATOM 6895 OH2 TIP3 1314 43.974 4.484 14.889 1.00 0.00 WT1 O ATOM 6896 H1 TIP3 1314 43.658 5.245 15.376 1.00 0.00 WT1 H ATOM 6897 H2 TIP3 1314 43.995 3.777 15.535 1.00 0.00 WT1 H ATOM 6898 OH2 TIP3 1315 80.443 71.813 31.504 1.00 0.00 WT1 O ATOM 6899 H1 TIP3 1315 79.654 71.448 31.904 1.00 0.00 WT1 H ATOM 6900 H2 TIP3 1315 80.926 71.049 31.187 1.00 0.00 WT1 H ATOM 6901 OH2 TIP3 1316 38.217 49.059 12.946 1.00 0.00 WT1 O ATOM 6902 H1 TIP3 1316 39.105 49.410 12.896 1.00 0.00 WT1 H ATOM 6903 H2 TIP3 1316 38.226 48.492 13.717 1.00 0.00 WT1 H ATOM 6904 OH2 TIP3 1317 36.520 38.041 39.250 1.00 0.00 WT1 O ATOM 6905 H1 TIP3 1317 35.839 38.378 38.668 1.00 0.00 WT1 H ATOM 6906 H2 TIP3 1317 37.288 37.938 38.688 1.00 0.00 WT1 H ATOM 6907 OH2 TIP3 1319 58.328 65.514 34.789 1.00 0.00 WT1 O ATOM 6908 H1 TIP3 1319 57.654 66.183 34.666 1.00 0.00 WT1 H ATOM 6909 H2 TIP3 1319 58.570 65.252 33.901 1.00 0.00 WT1 H ATOM 6910 OH2 TIP3 1320 34.672 18.229 6.622 1.00 0.00 WT1 O ATOM 6911 H1 TIP3 1320 35.509 17.932 6.979 1.00 0.00 WT1 H ATOM 6912 H2 TIP3 1320 34.864 18.445 5.710 1.00 0.00 WT1 H ATOM 6913 OH2 TIP3 1321 82.526 31.557 10.221 1.00 0.00 WT1 O ATOM 6914 H1 TIP3 1321 81.741 31.300 9.737 1.00 0.00 WT1 H ATOM 6915 H2 TIP3 1321 83.242 31.430 9.599 1.00 0.00 WT1 H ATOM 6916 OH2 TIP3 1322 39.496 8.797 -14.889 1.00 0.00 WT1 O ATOM 6917 H1 TIP3 1322 39.389 8.333 -15.719 1.00 0.00 WT1 H ATOM 6918 H2 TIP3 1322 40.376 9.171 -14.934 1.00 0.00 WT1 H ATOM 6919 OH2 TIP3 1323 78.535 86.459 19.763 1.00 0.00 WT1 O ATOM 6920 H1 TIP3 1323 77.605 86.261 19.650 1.00 0.00 WT1 H ATOM 6921 H2 TIP3 1323 78.709 86.273 20.686 1.00 0.00 WT1 H ATOM 6922 OH2 TIP3 1324 43.823 21.807 0.642 1.00 0.00 WT1 O ATOM 6923 H1 TIP3 1324 43.360 21.537 1.436 1.00 0.00 WT1 H ATOM 6924 H2 TIP3 1324 44.398 22.516 0.930 1.00 0.00 WT1 H ATOM 6925 OH2 TIP3 1325 84.400 57.256 4.718 1.00 0.00 WT1 O ATOM 6926 H1 TIP3 1325 83.569 56.791 4.818 1.00 0.00 WT1 H ATOM 6927 H2 TIP3 1325 84.579 57.617 5.587 1.00 0.00 WT1 H ATOM 6928 OH2 TIP3 1326 70.997 28.618 -9.381 1.00 0.00 WT1 O ATOM 6929 H1 TIP3 1326 70.579 28.475 -8.532 1.00 0.00 WT1 H ATOM 6930 H2 TIP3 1326 71.299 29.526 -9.350 1.00 0.00 WT1 H ATOM 6931 OH2 TIP3 1327 78.420 83.515 -0.395 1.00 0.00 WT1 O ATOM 6932 H1 TIP3 1327 77.918 84.092 -0.971 1.00 0.00 WT1 H ATOM 6933 H2 TIP3 1327 78.703 84.080 0.323 1.00 0.00 WT1 H ATOM 6934 OH2 TIP3 1328 37.560 9.595 3.453 1.00 0.00 WT1 O ATOM 6935 H1 TIP3 1328 37.809 8.781 3.892 1.00 0.00 WT1 H ATOM 6936 H2 TIP3 1328 36.836 9.345 2.879 1.00 0.00 WT1 H ATOM 6937 OH2 TIP3 1329 76.587 85.790 4.373 1.00 0.00 WT1 O ATOM 6938 H1 TIP3 1329 76.391 85.489 5.260 1.00 0.00 WT1 H ATOM 6939 H2 TIP3 1329 76.964 86.662 4.493 1.00 0.00 WT1 H ATOM 6940 OH2 TIP3 1330 84.995 42.655 -14.619 1.00 0.00 WT1 O ATOM 6941 H1 TIP3 1330 84.604 42.730 -13.749 1.00 0.00 WT1 H ATOM 6942 H2 TIP3 1330 84.337 42.192 -15.139 1.00 0.00 WT1 H ATOM 6943 OH2 TIP3 1332 40.194 33.530 65.414 1.00 0.00 WT1 O ATOM 6944 H1 TIP3 1332 39.389 33.286 64.957 1.00 0.00 WT1 H ATOM 6945 H2 TIP3 1332 40.581 34.215 64.869 1.00 0.00 WT1 H ATOM 6946 OH2 TIP3 1333 60.405 95.287 34.722 1.00 0.00 WT1 O ATOM 6947 H1 TIP3 1333 59.723 95.479 34.078 1.00 0.00 WT1 H ATOM 6948 H2 TIP3 1333 60.030 95.563 35.559 1.00 0.00 WT1 H ATOM 6949 OH2 TIP3 1334 48.296 4.753 11.903 1.00 0.00 WT1 O ATOM 6950 H1 TIP3 1334 48.264 5.709 11.942 1.00 0.00 WT1 H ATOM 6951 H2 TIP3 1334 47.416 4.472 12.154 1.00 0.00 WT1 H ATOM 6952 OH2 TIP3 1335 65.666 33.422 57.643 1.00 0.00 WT1 O ATOM 6953 H1 TIP3 1335 64.855 32.955 57.443 1.00 0.00 WT1 H ATOM 6954 H2 TIP3 1335 65.438 34.348 57.558 1.00 0.00 WT1 H ATOM 6955 OH2 TIP3 1336 51.059 47.665 36.150 1.00 0.00 WT1 O ATOM 6956 H1 TIP3 1336 51.159 47.274 35.282 1.00 0.00 WT1 H ATOM 6957 H2 TIP3 1336 51.605 48.450 36.124 1.00 0.00 WT1 H ATOM 6958 OH2 TIP3 1337 25.708 3.904 1.226 1.00 0.00 WT1 O ATOM 6959 H1 TIP3 1337 25.155 3.433 0.602 1.00 0.00 WT1 H ATOM 6960 H2 TIP3 1337 25.151 4.611 1.553 1.00 0.00 WT1 H ATOM 6961 OH2 TIP3 1338 51.787 31.727 48.253 1.00 0.00 WT1 O ATOM 6962 H1 TIP3 1338 51.857 30.936 47.718 1.00 0.00 WT1 H ATOM 6963 H2 TIP3 1338 52.562 31.706 48.815 1.00 0.00 WT1 H ATOM 6964 OH2 TIP3 1339 64.942 34.823 60.464 1.00 0.00 WT1 O ATOM 6965 H1 TIP3 1339 64.155 35.021 59.957 1.00 0.00 WT1 H ATOM 6966 H2 TIP3 1339 64.880 35.388 61.234 1.00 0.00 WT1 H ATOM 6967 OH2 TIP3 1340 79.437 23.803 -2.634 1.00 0.00 WT1 O ATOM 6968 H1 TIP3 1340 79.976 24.346 -3.210 1.00 0.00 WT1 H ATOM 6969 H2 TIP3 1340 79.900 22.966 -2.592 1.00 0.00 WT1 H ATOM 6970 OH2 TIP3 1342 37.491 11.476 31.358 1.00 0.00 WT1 O ATOM 6971 H1 TIP3 1342 37.154 12.326 31.076 1.00 0.00 WT1 H ATOM 6972 H2 TIP3 1342 36.710 10.972 31.585 1.00 0.00 WT1 H ATOM 6973 OH2 TIP3 1343 24.403 3.095 -1.118 1.00 0.00 WT1 O ATOM 6974 H1 TIP3 1343 24.339 3.800 -1.762 1.00 0.00 WT1 H ATOM 6975 H2 TIP3 1343 24.633 2.321 -1.632 1.00 0.00 WT1 H ATOM 6976 OH2 TIP3 1344 20.590 46.951 61.906 1.00 0.00 WT1 O ATOM 6977 H1 TIP3 1344 19.804 46.524 62.248 1.00 0.00 WT1 H ATOM 6978 H2 TIP3 1344 21.193 46.973 62.650 1.00 0.00 WT1 H ATOM 6979 OH2 TIP3 1345 67.281 60.390 54.802 1.00 0.00 WT1 O ATOM 6980 H1 TIP3 1345 66.954 61.267 55.003 1.00 0.00 WT1 H ATOM 6981 H2 TIP3 1345 66.747 60.098 54.063 1.00 0.00 WT1 H ATOM 6982 OH2 TIP3 1346 42.682 22.858 55.423 1.00 0.00 WT1 O ATOM 6983 H1 TIP3 1346 43.102 22.386 56.142 1.00 0.00 WT1 H ATOM 6984 H2 TIP3 1346 42.962 22.392 54.635 1.00 0.00 WT1 H ATOM 6985 OH2 TIP3 1347 58.338 2.840 23.772 1.00 0.00 WT1 O ATOM 6986 H1 TIP3 1347 58.307 1.992 23.329 1.00 0.00 WT1 H ATOM 6987 H2 TIP3 1347 59.218 2.885 24.145 1.00 0.00 WT1 H ATOM 6988 OH2 TIP3 1348 37.492 67.185 40.280 1.00 0.00 WT1 O ATOM 6989 H1 TIP3 1348 38.230 66.665 40.598 1.00 0.00 WT1 H ATOM 6990 H2 TIP3 1348 37.886 67.822 39.684 1.00 0.00 WT1 H ATOM 6991 OH2 TIP3 1349 86.525 64.478 -11.306 1.00 0.00 WT1 O ATOM 6992 H1 TIP3 1349 86.933 63.831 -11.882 1.00 0.00 WT1 H ATOM 6993 H2 TIP3 1349 85.597 64.457 -11.542 1.00 0.00 WT1 H ATOM 6994 OH2 TIP3 1350 54.234 57.964 52.509 1.00 0.00 WT1 O ATOM 6995 H1 TIP3 1350 55.021 58.500 52.604 1.00 0.00 WT1 H ATOM 6996 H2 TIP3 1350 53.567 58.570 52.187 1.00 0.00 WT1 H ATOM 6997 OH2 TIP3 1351 51.451 32.953 38.141 1.00 0.00 WT1 O ATOM 6998 H1 TIP3 1351 51.439 32.198 38.728 1.00 0.00 WT1 H ATOM 6999 H2 TIP3 1351 52.356 33.264 38.168 1.00 0.00 WT1 H ATOM 7000 OH2 TIP3 1352 65.125 75.712 42.465 1.00 0.00 WT1 O ATOM 7001 H1 TIP3 1352 65.447 74.834 42.261 1.00 0.00 WT1 H ATOM 7002 H2 TIP3 1352 64.307 75.788 41.974 1.00 0.00 WT1 H ATOM 7003 OH2 TIP3 1353 79.036 46.350 -16.082 1.00 0.00 WT1 O ATOM 7004 H1 TIP3 1353 79.346 46.581 -15.207 1.00 0.00 WT1 H ATOM 7005 H2 TIP3 1353 78.083 46.406 -16.023 1.00 0.00 WT1 H ATOM 7006 OH2 TIP3 1354 61.938 38.192 61.923 1.00 0.00 WT1 O ATOM 7007 H1 TIP3 1354 61.385 38.729 61.356 1.00 0.00 WT1 H ATOM 7008 H2 TIP3 1354 61.964 38.668 62.753 1.00 0.00 WT1 H ATOM 7009 OH2 TIP3 1355 43.914 35.791 62.656 1.00 0.00 WT1 O ATOM 7010 H1 TIP3 1355 44.264 36.114 61.826 1.00 0.00 WT1 H ATOM 7011 H2 TIP3 1355 44.653 35.347 63.072 1.00 0.00 WT1 H ATOM 7012 OH2 TIP3 1356 65.208 34.087 5.358 1.00 0.00 WT1 O ATOM 7013 H1 TIP3 1356 64.811 33.817 4.530 1.00 0.00 WT1 H ATOM 7014 H2 TIP3 1356 64.575 33.821 6.025 1.00 0.00 WT1 H ATOM 7015 OH2 TIP3 1357 43.076 72.412 51.453 1.00 0.00 WT1 O ATOM 7016 H1 TIP3 1357 42.187 72.742 51.588 1.00 0.00 WT1 H ATOM 7017 H2 TIP3 1357 43.050 72.001 50.589 1.00 0.00 WT1 H ATOM 7018 OH2 TIP3 1358 21.188 38.048 24.259 1.00 0.00 WT1 O ATOM 7019 H1 TIP3 1358 21.853 38.722 24.117 1.00 0.00 WT1 H ATOM 7020 H2 TIP3 1358 20.710 38.005 23.431 1.00 0.00 WT1 H ATOM 7021 OH2 TIP3 1359 90.153 86.384 -0.901 1.00 0.00 WT1 O ATOM 7022 H1 TIP3 1359 91.109 86.396 -0.943 1.00 0.00 WT1 H ATOM 7023 H2 TIP3 1359 89.894 87.295 -1.042 1.00 0.00 WT1 H ATOM 7024 OH2 TIP3 1360 73.822 15.384 49.806 1.00 0.00 WT1 O ATOM 7025 H1 TIP3 1360 73.002 15.858 49.668 1.00 0.00 WT1 H ATOM 7026 H2 TIP3 1360 74.381 15.654 49.078 1.00 0.00 WT1 H ATOM 7027 OH2 TIP3 1361 72.501 47.274 22.413 1.00 0.00 WT1 O ATOM 7028 H1 TIP3 1361 72.507 47.769 21.594 1.00 0.00 WT1 H ATOM 7029 H2 TIP3 1361 71.717 46.728 22.358 1.00 0.00 WT1 H ATOM 7030 OH2 TIP3 1362 49.638 5.694 -8.113 1.00 0.00 WT1 O ATOM 7031 H1 TIP3 1362 50.069 6.454 -8.505 1.00 0.00 WT1 H ATOM 7032 H2 TIP3 1362 49.458 5.113 -8.851 1.00 0.00 WT1 H ATOM 7033 OH2 TIP3 1363 61.741 41.615 44.861 1.00 0.00 WT1 O ATOM 7034 H1 TIP3 1363 61.837 42.123 44.055 1.00 0.00 WT1 H ATOM 7035 H2 TIP3 1363 61.916 40.712 44.598 1.00 0.00 WT1 H ATOM 7036 OH2 TIP3 1364 21.980 33.750 54.465 1.00 0.00 WT1 O ATOM 7037 H1 TIP3 1364 22.562 34.157 53.823 1.00 0.00 WT1 H ATOM 7038 H2 TIP3 1364 21.863 34.419 55.140 1.00 0.00 WT1 H ATOM 7039 OH2 TIP3 1365 58.702 0.865 49.538 1.00 0.00 WT1 O ATOM 7040 H1 TIP3 1365 57.790 1.053 49.317 1.00 0.00 WT1 H ATOM 7041 H2 TIP3 1365 58.665 0.506 50.424 1.00 0.00 WT1 H ATOM 7042 OH2 TIP3 1366 33.272 78.922 13.258 1.00 0.00 WT1 O ATOM 7043 H1 TIP3 1366 33.751 79.277 14.007 1.00 0.00 WT1 H ATOM 7044 H2 TIP3 1366 33.946 78.512 12.715 1.00 0.00 WT1 H ATOM 7045 OH2 TIP3 1367 84.333 93.286 47.386 1.00 0.00 WT1 O ATOM 7046 H1 TIP3 1367 83.499 93.700 47.611 1.00 0.00 WT1 H ATOM 7047 H2 TIP3 1367 84.534 92.728 48.137 1.00 0.00 WT1 H ATOM 7048 OH2 TIP3 1368 80.298 28.152 50.119 1.00 0.00 WT1 O ATOM 7049 H1 TIP3 1368 81.043 28.110 50.719 1.00 0.00 WT1 H ATOM 7050 H2 TIP3 1368 80.585 27.667 49.345 1.00 0.00 WT1 H ATOM 7051 OH2 TIP3 1369 56.188 78.990 27.999 1.00 0.00 WT1 O ATOM 7052 H1 TIP3 1369 55.816 79.869 28.069 1.00 0.00 WT1 H ATOM 7053 H2 TIP3 1369 55.440 78.403 28.111 1.00 0.00 WT1 H ATOM 7054 OH2 TIP3 1370 73.521 1.865 50.731 1.00 0.00 WT1 O ATOM 7055 H1 TIP3 1370 73.592 1.000 51.135 1.00 0.00 WT1 H ATOM 7056 H2 TIP3 1370 72.830 1.768 50.076 1.00 0.00 WT1 H ATOM 7057 OH2 TIP3 1371 30.758 25.395 -17.343 1.00 0.00 WT1 O ATOM 7058 H1 TIP3 1371 29.906 25.367 -16.908 1.00 0.00 WT1 H ATOM 7059 H2 TIP3 1371 31.276 26.002 -16.816 1.00 0.00 WT1 H ATOM 7060 OH2 TIP3 1372 66.080 24.816 -14.704 1.00 0.00 WT1 O ATOM 7061 H1 TIP3 1372 65.199 24.817 -14.329 1.00 0.00 WT1 H ATOM 7062 H2 TIP3 1372 65.986 24.349 -15.535 1.00 0.00 WT1 H ATOM 7063 OH2 TIP3 1373 62.941 50.034 -2.087 1.00 0.00 WT1 O ATOM 7064 H1 TIP3 1373 62.505 49.296 -2.514 1.00 0.00 WT1 H ATOM 7065 H2 TIP3 1373 62.249 50.463 -1.585 1.00 0.00 WT1 H ATOM 7066 OH2 TIP3 1374 54.302 4.886 -2.329 1.00 0.00 WT1 O ATOM 7067 H1 TIP3 1374 54.918 4.714 -3.042 1.00 0.00 WT1 H ATOM 7068 H2 TIP3 1374 53.472 4.523 -2.638 1.00 0.00 WT1 H ATOM 7069 OH2 TIP3 1375 71.576 45.733 -1.589 1.00 0.00 WT1 O ATOM 7070 H1 TIP3 1375 71.158 44.896 -1.389 1.00 0.00 WT1 H ATOM 7071 H2 TIP3 1375 70.947 46.392 -1.297 1.00 0.00 WT1 H ATOM 7072 OH2 TIP3 1376 60.504 64.823 58.619 1.00 0.00 WT1 O ATOM 7073 H1 TIP3 1376 60.457 65.560 58.010 1.00 0.00 WT1 H ATOM 7074 H2 TIP3 1376 59.842 64.208 58.302 1.00 0.00 WT1 H ATOM 7075 OH2 TIP3 1377 68.570 72.147 -2.811 1.00 0.00 WT1 O ATOM 7076 H1 TIP3 1377 68.606 71.190 -2.834 1.00 0.00 WT1 H ATOM 7077 H2 TIP3 1377 68.238 72.395 -3.674 1.00 0.00 WT1 H ATOM 7078 OH2 TIP3 1378 24.509 33.358 10.171 1.00 0.00 WT1 O ATOM 7079 H1 TIP3 1378 23.771 33.937 9.982 1.00 0.00 WT1 H ATOM 7080 H2 TIP3 1378 25.255 33.767 9.732 1.00 0.00 WT1 H ATOM 7081 OH2 TIP3 1379 26.827 3.002 29.384 1.00 0.00 WT1 O ATOM 7082 H1 TIP3 1379 26.703 2.056 29.458 1.00 0.00 WT1 H ATOM 7083 H2 TIP3 1379 26.522 3.216 28.502 1.00 0.00 WT1 H ATOM 7084 OH2 TIP3 1380 51.787 94.821 37.823 1.00 0.00 WT1 O ATOM 7085 H1 TIP3 1380 52.392 94.995 37.102 1.00 0.00 WT1 H ATOM 7086 H2 TIP3 1380 52.078 93.984 38.183 1.00 0.00 WT1 H ATOM 7087 OH2 TIP3 1381 86.144 11.640 63.038 1.00 0.00 WT1 O ATOM 7088 H1 TIP3 1381 86.067 11.892 63.958 1.00 0.00 WT1 H ATOM 7089 H2 TIP3 1381 86.932 12.088 62.732 1.00 0.00 WT1 H ATOM 7090 OH2 TIP3 1382 78.146 76.552 57.237 1.00 0.00 WT1 O ATOM 7091 H1 TIP3 1382 77.923 77.212 57.893 1.00 0.00 WT1 H ATOM 7092 H2 TIP3 1382 77.798 76.900 56.417 1.00 0.00 WT1 H ATOM 7093 OH2 TIP3 1383 85.832 96.061 58.135 1.00 0.00 WT1 O ATOM 7094 H1 TIP3 1383 85.299 95.908 58.916 1.00 0.00 WT1 H ATOM 7095 H2 TIP3 1383 86.030 96.997 58.160 1.00 0.00 WT1 H ATOM 7096 OH2 TIP3 1384 58.648 18.117 5.257 1.00 0.00 WT1 O ATOM 7097 H1 TIP3 1384 58.014 18.825 5.367 1.00 0.00 WT1 H ATOM 7098 H2 TIP3 1384 59.406 18.391 5.773 1.00 0.00 WT1 H ATOM 7099 OH2 TIP3 1385 44.958 75.562 2.804 1.00 0.00 WT1 O ATOM 7100 H1 TIP3 1385 44.436 75.126 3.478 1.00 0.00 WT1 H ATOM 7101 H2 TIP3 1385 45.233 74.856 2.219 1.00 0.00 WT1 H ATOM 7102 OH2 TIP3 1387 84.109 17.819 3.653 1.00 0.00 WT1 O ATOM 7103 H1 TIP3 1387 83.644 18.575 3.295 1.00 0.00 WT1 H ATOM 7104 H2 TIP3 1387 84.961 18.165 3.918 1.00 0.00 WT1 H ATOM 7105 OH2 TIP3 1388 34.801 84.982 12.848 1.00 0.00 WT1 O ATOM 7106 H1 TIP3 1388 35.567 84.432 13.013 1.00 0.00 WT1 H ATOM 7107 H2 TIP3 1388 34.686 84.954 11.898 1.00 0.00 WT1 H ATOM 7108 OH2 TIP3 1389 83.915 93.849 -13.779 1.00 0.00 WT1 O ATOM 7109 H1 TIP3 1389 84.769 93.423 -13.707 1.00 0.00 WT1 H ATOM 7110 H2 TIP3 1389 83.301 93.132 -13.933 1.00 0.00 WT1 H ATOM 7111 OH2 TIP3 1390 43.130 28.554 30.733 1.00 0.00 WT1 O ATOM 7112 H1 TIP3 1390 44.000 28.754 30.389 1.00 0.00 WT1 H ATOM 7113 H2 TIP3 1390 43.213 28.669 31.680 1.00 0.00 WT1 H ATOM 7114 OH2 TIP3 1391 57.810 69.568 31.513 1.00 0.00 WT1 O ATOM 7115 H1 TIP3 1391 57.477 69.334 32.379 1.00 0.00 WT1 H ATOM 7116 H2 TIP3 1391 57.029 69.632 30.964 1.00 0.00 WT1 H ATOM 7117 OH2 TIP3 1392 29.846 61.062 6.099 1.00 0.00 WT1 O ATOM 7118 H1 TIP3 1392 30.724 60.765 6.338 1.00 0.00 WT1 H ATOM 7119 H2 TIP3 1392 29.765 61.923 6.509 1.00 0.00 WT1 H ATOM 7120 OH2 TIP3 1393 31.559 90.372 65.431 1.00 0.00 WT1 O ATOM 7121 H1 TIP3 1393 31.726 91.214 65.854 1.00 0.00 WT1 H ATOM 7122 H2 TIP3 1393 32.412 89.938 65.414 1.00 0.00 WT1 H ATOM 7123 OH2 TIP3 1394 63.433 0.376 56.354 1.00 0.00 WT1 O ATOM 7124 H1 TIP3 1394 64.124 -0.285 56.310 1.00 0.00 WT1 H ATOM 7125 H2 TIP3 1394 63.900 1.211 56.379 1.00 0.00 WT1 H ATOM 7126 OH2 TIP3 1395 48.030 19.397 15.794 1.00 0.00 WT1 O ATOM 7127 H1 TIP3 1395 48.254 20.105 16.398 1.00 0.00 WT1 H ATOM 7128 H2 TIP3 1395 48.287 19.727 14.933 1.00 0.00 WT1 H ATOM 7129 OH2 TIP3 1396 25.812 79.647 16.706 1.00 0.00 WT1 O ATOM 7130 H1 TIP3 1396 25.504 78.894 16.202 1.00 0.00 WT1 H ATOM 7131 H2 TIP3 1396 25.118 79.808 17.345 1.00 0.00 WT1 H ATOM 7132 OH2 TIP3 1397 28.544 7.379 34.435 1.00 0.00 WT1 O ATOM 7133 H1 TIP3 1397 28.817 8.248 34.728 1.00 0.00 WT1 H ATOM 7134 H2 TIP3 1397 29.026 6.774 34.998 1.00 0.00 WT1 H ATOM 7135 OH2 TIP3 1398 41.101 75.106 13.185 1.00 0.00 WT1 O ATOM 7136 H1 TIP3 1398 40.808 75.345 14.065 1.00 0.00 WT1 H ATOM 7137 H2 TIP3 1398 41.053 74.150 13.169 1.00 0.00 WT1 H ATOM 7138 OH2 TIP3 1399 62.656 80.551 41.904 1.00 0.00 WT1 O ATOM 7139 H1 TIP3 1399 63.562 80.586 41.595 1.00 0.00 WT1 H ATOM 7140 H2 TIP3 1399 62.510 79.628 42.113 1.00 0.00 WT1 H ATOM 7141 OH2 TIP3 1400 84.189 74.068 9.100 1.00 0.00 WT1 O ATOM 7142 H1 TIP3 1400 83.884 74.421 9.936 1.00 0.00 WT1 H ATOM 7143 H2 TIP3 1400 84.053 73.123 9.175 1.00 0.00 WT1 H ATOM 7144 OH2 TIP3 1401 72.298 40.141 11.959 1.00 0.00 WT1 O ATOM 7145 H1 TIP3 1401 72.215 40.495 11.074 1.00 0.00 WT1 H ATOM 7146 H2 TIP3 1401 71.465 39.697 12.119 1.00 0.00 WT1 H ATOM 7147 OH2 TIP3 1402 22.030 10.693 6.018 1.00 0.00 WT1 O ATOM 7148 H1 TIP3 1402 21.819 11.336 5.341 1.00 0.00 WT1 H ATOM 7149 H2 TIP3 1402 22.651 11.143 6.591 1.00 0.00 WT1 H ATOM 7150 OH2 TIP3 1403 70.263 43.685 -0.066 1.00 0.00 WT1 O ATOM 7151 H1 TIP3 1403 70.258 44.346 0.626 1.00 0.00 WT1 H ATOM 7152 H2 TIP3 1403 70.908 43.039 0.223 1.00 0.00 WT1 H ATOM 7153 OH2 TIP3 1404 37.257 76.277 31.621 1.00 0.00 WT1 O ATOM 7154 H1 TIP3 1404 38.184 76.210 31.391 1.00 0.00 WT1 H ATOM 7155 H2 TIP3 1404 36.808 75.735 30.972 1.00 0.00 WT1 H ATOM 7156 OH2 TIP3 1405 20.833 80.775 -12.352 1.00 0.00 WT1 O ATOM 7157 H1 TIP3 1405 20.575 80.232 -11.607 1.00 0.00 WT1 H ATOM 7158 H2 TIP3 1405 21.464 80.240 -12.833 1.00 0.00 WT1 H ATOM 7159 OH2 TIP3 1406 41.719 27.634 -16.274 1.00 0.00 WT1 O ATOM 7160 H1 TIP3 1406 41.993 26.826 -16.708 1.00 0.00 WT1 H ATOM 7161 H2 TIP3 1406 41.236 27.340 -15.501 1.00 0.00 WT1 H ATOM 7162 OH2 TIP3 1407 80.072 19.731 45.867 1.00 0.00 WT1 O ATOM 7163 H1 TIP3 1407 80.326 18.921 46.309 1.00 0.00 WT1 H ATOM 7164 H2 TIP3 1407 80.892 20.082 45.519 1.00 0.00 WT1 H ATOM 7165 OH2 TIP3 1408 24.199 49.639 32.325 1.00 0.00 WT1 O ATOM 7166 H1 TIP3 1408 23.804 50.452 32.639 1.00 0.00 WT1 H ATOM 7167 H2 TIP3 1408 23.791 49.486 31.473 1.00 0.00 WT1 H ATOM 7168 OH2 TIP3 1409 80.867 32.107 20.728 1.00 0.00 WT1 O ATOM 7169 H1 TIP3 1409 81.739 32.178 21.116 1.00 0.00 WT1 H ATOM 7170 H2 TIP3 1409 80.798 32.869 20.153 1.00 0.00 WT1 H ATOM 7171 OH2 TIP3 1410 25.637 5.773 56.260 1.00 0.00 WT1 O ATOM 7172 H1 TIP3 1410 25.749 4.971 55.750 1.00 0.00 WT1 H ATOM 7173 H2 TIP3 1410 26.248 6.395 55.865 1.00 0.00 WT1 H ATOM 7174 OH2 TIP3 1411 26.341 76.982 50.667 1.00 0.00 WT1 O ATOM 7175 H1 TIP3 1411 25.865 77.024 49.839 1.00 0.00 WT1 H ATOM 7176 H2 TIP3 1411 25.680 77.166 51.334 1.00 0.00 WT1 H ATOM 7177 OH2 TIP3 1412 43.565 80.726 3.832 1.00 0.00 WT1 O ATOM 7178 H1 TIP3 1412 43.919 80.067 3.235 1.00 0.00 WT1 H ATOM 7179 H2 TIP3 1412 42.798 81.075 3.376 1.00 0.00 WT1 H ATOM 7180 OH2 TIP3 1413 56.198 93.814 25.182 1.00 0.00 WT1 O ATOM 7181 H1 TIP3 1413 56.918 93.314 25.565 1.00 0.00 WT1 H ATOM 7182 H2 TIP3 1413 55.607 93.985 25.916 1.00 0.00 WT1 H ATOM 7183 OH2 TIP3 1414 36.514 94.008 -15.307 1.00 0.00 WT1 O ATOM 7184 H1 TIP3 1414 36.635 94.957 -15.272 1.00 0.00 WT1 H ATOM 7185 H2 TIP3 1414 35.704 93.887 -15.804 1.00 0.00 WT1 H ATOM 7186 OH2 TIP3 1415 75.383 30.426 23.970 1.00 0.00 WT1 O ATOM 7187 H1 TIP3 1415 75.338 31.381 24.005 1.00 0.00 WT1 H ATOM 7188 H2 TIP3 1415 75.569 30.162 24.871 1.00 0.00 WT1 H ATOM 7189 OH2 TIP3 1416 49.199 56.649 -0.264 1.00 0.00 WT1 O ATOM 7190 H1 TIP3 1416 49.326 57.084 0.579 1.00 0.00 WT1 H ATOM 7191 H2 TIP3 1416 50.065 56.312 -0.493 1.00 0.00 WT1 H ATOM 7192 OH2 TIP3 1417 51.472 48.536 64.185 1.00 0.00 WT1 O ATOM 7193 H1 TIP3 1417 50.802 48.001 63.759 1.00 0.00 WT1 H ATOM 7194 H2 TIP3 1417 51.230 48.532 65.111 1.00 0.00 WT1 H ATOM 7195 OH2 TIP3 1418 24.971 76.337 -1.120 1.00 0.00 WT1 O ATOM 7196 H1 TIP3 1418 25.337 76.864 -1.830 1.00 0.00 WT1 H ATOM 7197 H2 TIP3 1418 25.729 75.905 -0.726 1.00 0.00 WT1 H ATOM 7198 OH2 TIP3 1419 74.386 41.808 62.277 1.00 0.00 WT1 O ATOM 7199 H1 TIP3 1419 73.689 42.279 62.734 1.00 0.00 WT1 H ATOM 7200 H2 TIP3 1419 75.044 41.640 62.951 1.00 0.00 WT1 H ATOM 7201 OH2 TIP3 1421 31.945 58.746 56.580 1.00 0.00 WT1 O ATOM 7202 H1 TIP3 1421 31.253 59.390 56.732 1.00 0.00 WT1 H ATOM 7203 H2 TIP3 1421 32.728 59.142 56.962 1.00 0.00 WT1 H ATOM 7204 OH2 TIP3 1422 55.622 96.351 43.903 1.00 0.00 WT1 O ATOM 7205 H1 TIP3 1422 56.408 96.320 43.357 1.00 0.00 WT1 H ATOM 7206 H2 TIP3 1422 54.917 96.580 43.298 1.00 0.00 WT1 H ATOM 7207 OH2 TIP3 1423 27.867 16.879 -1.754 1.00 0.00 WT1 O ATOM 7208 H1 TIP3 1423 27.177 17.009 -1.104 1.00 0.00 WT1 H ATOM 7209 H2 TIP3 1423 28.643 16.655 -1.239 1.00 0.00 WT1 H ATOM 7210 OH2 TIP3 1424 36.549 93.261 48.507 1.00 0.00 WT1 O ATOM 7211 H1 TIP3 1424 37.049 94.077 48.465 1.00 0.00 WT1 H ATOM 7212 H2 TIP3 1424 35.858 93.436 49.145 1.00 0.00 WT1 H ATOM 7213 OH2 TIP3 1426 27.222 34.155 -11.903 1.00 0.00 WT1 O ATOM 7214 H1 TIP3 1426 27.704 34.960 -12.092 1.00 0.00 WT1 H ATOM 7215 H2 TIP3 1426 26.313 34.438 -11.802 1.00 0.00 WT1 H ATOM 7216 OH2 TIP3 1428 44.779 1.808 -0.421 1.00 0.00 WT1 O ATOM 7217 H1 TIP3 1428 45.317 1.810 0.370 1.00 0.00 WT1 H ATOM 7218 H2 TIP3 1428 45.026 1.004 -0.877 1.00 0.00 WT1 H ATOM 7219 OH2 TIP3 1429 67.634 21.395 12.518 1.00 0.00 WT1 O ATOM 7220 H1 TIP3 1429 66.808 21.261 12.054 1.00 0.00 WT1 H ATOM 7221 H2 TIP3 1429 67.635 20.727 13.204 1.00 0.00 WT1 H ATOM 7222 OH2 TIP3 1430 77.080 22.683 -1.329 1.00 0.00 WT1 O ATOM 7223 H1 TIP3 1430 77.362 22.575 -0.421 1.00 0.00 WT1 H ATOM 7224 H2 TIP3 1430 77.828 23.090 -1.766 1.00 0.00 WT1 H ATOM 7225 OH2 TIP3 1431 21.002 40.799 43.012 1.00 0.00 WT1 O ATOM 7226 H1 TIP3 1431 21.353 41.149 42.193 1.00 0.00 WT1 H ATOM 7227 H2 TIP3 1431 20.670 41.566 43.478 1.00 0.00 WT1 H ATOM 7228 OH2 TIP3 1432 23.507 22.133 33.251 1.00 0.00 WT1 O ATOM 7229 H1 TIP3 1432 24.269 22.045 33.823 1.00 0.00 WT1 H ATOM 7230 H2 TIP3 1432 23.806 21.810 32.401 1.00 0.00 WT1 H ATOM 7231 OH2 TIP3 1433 34.944 22.356 26.177 1.00 0.00 WT1 O ATOM 7232 H1 TIP3 1433 34.985 22.113 27.102 1.00 0.00 WT1 H ATOM 7233 H2 TIP3 1433 34.574 23.239 26.177 1.00 0.00 WT1 H ATOM 7234 OH2 TIP3 1434 31.688 38.414 48.967 1.00 0.00 WT1 O ATOM 7235 H1 TIP3 1434 32.418 37.794 48.973 1.00 0.00 WT1 H ATOM 7236 H2 TIP3 1434 31.196 38.213 49.763 1.00 0.00 WT1 H ATOM 7237 OH2 TIP3 1435 81.852 94.946 11.482 1.00 0.00 WT1 O ATOM 7238 H1 TIP3 1435 81.480 94.532 10.704 1.00 0.00 WT1 H ATOM 7239 H2 TIP3 1435 82.067 94.216 12.063 1.00 0.00 WT1 H ATOM 7240 OH2 TIP3 1436 36.677 56.465 34.265 1.00 0.00 WT1 O ATOM 7241 H1 TIP3 1436 36.311 57.010 34.962 1.00 0.00 WT1 H ATOM 7242 H2 TIP3 1436 37.599 56.717 34.222 1.00 0.00 WT1 H ATOM 7243 OH2 TIP3 1437 55.881 80.165 15.268 1.00 0.00 WT1 O ATOM 7244 H1 TIP3 1437 54.971 80.088 14.982 1.00 0.00 WT1 H ATOM 7245 H2 TIP3 1437 56.194 79.262 15.317 1.00 0.00 WT1 H ATOM 7246 OH2 TIP3 1438 83.754 79.827 7.207 1.00 0.00 WT1 O ATOM 7247 H1 TIP3 1438 83.450 79.046 6.743 1.00 0.00 WT1 H ATOM 7248 H2 TIP3 1438 83.877 79.536 8.111 1.00 0.00 WT1 H ATOM 7249 OH2 TIP3 1439 28.835 34.849 -8.713 1.00 0.00 WT1 O ATOM 7250 H1 TIP3 1439 28.141 34.975 -9.361 1.00 0.00 WT1 H ATOM 7251 H2 TIP3 1439 29.471 35.538 -8.906 1.00 0.00 WT1 H ATOM 7252 OH2 TIP3 1440 67.070 40.887 45.137 1.00 0.00 WT1 O ATOM 7253 H1 TIP3 1440 67.225 41.616 44.537 1.00 0.00 WT1 H ATOM 7254 H2 TIP3 1440 66.127 40.910 45.304 1.00 0.00 WT1 H ATOM 7255 OH2 TIP3 1441 80.649 37.598 15.905 1.00 0.00 WT1 O ATOM 7256 H1 TIP3 1441 80.307 36.943 15.298 1.00 0.00 WT1 H ATOM 7257 H2 TIP3 1441 80.933 38.320 15.345 1.00 0.00 WT1 H ATOM 7258 OH2 TIP3 1442 56.222 12.364 29.657 1.00 0.00 WT1 O ATOM 7259 H1 TIP3 1442 56.448 13.294 29.668 1.00 0.00 WT1 H ATOM 7260 H2 TIP3 1442 55.568 12.267 30.349 1.00 0.00 WT1 H ATOM 7261 OH2 TIP3 1443 41.129 6.437 10.680 1.00 0.00 WT1 O ATOM 7262 H1 TIP3 1443 41.121 5.668 11.250 1.00 0.00 WT1 H ATOM 7263 H2 TIP3 1443 41.700 7.061 11.126 1.00 0.00 WT1 H ATOM 7264 OH2 TIP3 1444 27.023 85.698 17.849 1.00 0.00 WT1 O ATOM 7265 H1 TIP3 1444 27.585 85.185 17.268 1.00 0.00 WT1 H ATOM 7266 H2 TIP3 1444 27.558 86.453 18.095 1.00 0.00 WT1 H ATOM 7267 OH2 TIP3 1445 27.616 63.899 34.917 1.00 0.00 WT1 O ATOM 7268 H1 TIP3 1445 26.725 63.577 34.776 1.00 0.00 WT1 H ATOM 7269 H2 TIP3 1445 28.045 63.796 34.067 1.00 0.00 WT1 H ATOM 7270 OH2 TIP3 1446 32.322 21.032 52.930 1.00 0.00 WT1 O ATOM 7271 H1 TIP3 1446 33.214 21.354 52.796 1.00 0.00 WT1 H ATOM 7272 H2 TIP3 1446 32.210 20.352 52.266 1.00 0.00 WT1 H ATOM 7273 OH2 TIP3 1447 65.249 39.054 49.475 1.00 0.00 WT1 O ATOM 7274 H1 TIP3 1447 65.509 38.621 48.662 1.00 0.00 WT1 H ATOM 7275 H2 TIP3 1447 65.244 38.354 50.128 1.00 0.00 WT1 H ATOM 7276 OH2 TIP3 1448 30.026 41.856 15.189 1.00 0.00 WT1 O ATOM 7277 H1 TIP3 1448 30.628 41.366 15.749 1.00 0.00 WT1 H ATOM 7278 H2 TIP3 1448 30.554 42.573 14.838 1.00 0.00 WT1 H ATOM 7279 OH2 TIP3 1449 31.845 86.309 41.301 1.00 0.00 WT1 O ATOM 7280 H1 TIP3 1449 31.712 85.784 42.090 1.00 0.00 WT1 H ATOM 7281 H2 TIP3 1449 32.387 87.044 41.589 1.00 0.00 WT1 H ATOM 7282 OH2 TIP3 1450 65.347 18.678 1.946 1.00 0.00 WT1 O ATOM 7283 H1 TIP3 1450 65.345 18.665 2.903 1.00 0.00 WT1 H ATOM 7284 H2 TIP3 1450 64.451 18.915 1.707 1.00 0.00 WT1 H ATOM 7285 OH2 TIP3 1451 55.842 26.882 51.146 1.00 0.00 WT1 O ATOM 7286 H1 TIP3 1451 54.896 26.836 51.009 1.00 0.00 WT1 H ATOM 7287 H2 TIP3 1451 56.166 27.407 50.415 1.00 0.00 WT1 H ATOM 7288 OH2 TIP3 1453 36.643 36.952 63.943 1.00 0.00 WT1 O ATOM 7289 H1 TIP3 1453 36.350 36.335 64.614 1.00 0.00 WT1 H ATOM 7290 H2 TIP3 1453 36.730 36.422 63.151 1.00 0.00 WT1 H ATOM 7291 OH2 TIP3 1454 29.280 92.283 -6.891 1.00 0.00 WT1 O ATOM 7292 H1 TIP3 1454 28.415 92.337 -6.485 1.00 0.00 WT1 H ATOM 7293 H2 TIP3 1454 29.436 93.159 -7.244 1.00 0.00 WT1 H ATOM 7294 OH2 TIP3 1455 72.410 29.463 34.022 1.00 0.00 WT1 O ATOM 7295 H1 TIP3 1455 71.826 30.110 33.624 1.00 0.00 WT1 H ATOM 7296 H2 TIP3 1455 71.863 29.007 34.661 1.00 0.00 WT1 H ATOM 7297 OH2 TIP3 1456 37.751 8.471 9.852 1.00 0.00 WT1 O ATOM 7298 H1 TIP3 1456 37.316 8.407 10.702 1.00 0.00 WT1 H ATOM 7299 H2 TIP3 1456 38.034 7.577 9.659 1.00 0.00 WT1 H ATOM 7300 OH2 TIP3 1457 62.699 26.176 42.923 1.00 0.00 WT1 O ATOM 7301 H1 TIP3 1457 61.960 26.566 42.456 1.00 0.00 WT1 H ATOM 7302 H2 TIP3 1457 63.018 25.490 42.337 1.00 0.00 WT1 H ATOM 7303 OH2 TIP3 1458 66.802 15.064 5.260 1.00 0.00 WT1 O ATOM 7304 H1 TIP3 1458 67.124 15.768 4.697 1.00 0.00 WT1 H ATOM 7305 H2 TIP3 1458 67.132 14.263 4.854 1.00 0.00 WT1 H ATOM 7306 OH2 TIP3 1459 60.996 4.643 47.614 1.00 0.00 WT1 O ATOM 7307 H1 TIP3 1459 61.259 4.872 48.505 1.00 0.00 WT1 H ATOM 7308 H2 TIP3 1459 60.821 3.703 47.650 1.00 0.00 WT1 H ATOM 7309 OH2 TIP3 1461 40.904 91.486 57.236 1.00 0.00 WT1 O ATOM 7310 H1 TIP3 1461 41.023 92.132 56.540 1.00 0.00 WT1 H ATOM 7311 H2 TIP3 1461 41.700 90.955 57.208 1.00 0.00 WT1 H ATOM 7312 OH2 TIP3 1462 47.262 69.825 63.152 1.00 0.00 WT1 O ATOM 7313 H1 TIP3 1462 47.596 70.720 63.095 1.00 0.00 WT1 H ATOM 7314 H2 TIP3 1462 46.547 69.794 62.517 1.00 0.00 WT1 H ATOM 7315 OH2 TIP3 1463 36.721 23.136 64.322 1.00 0.00 WT1 O ATOM 7316 H1 TIP3 1463 37.027 24.022 64.515 1.00 0.00 WT1 H ATOM 7317 H2 TIP3 1463 37.236 22.866 63.561 1.00 0.00 WT1 H ATOM 7318 OH2 TIP3 1464 86.747 65.157 52.834 1.00 0.00 WT1 O ATOM 7319 H1 TIP3 1464 87.542 64.908 52.361 1.00 0.00 WT1 H ATOM 7320 H2 TIP3 1464 86.696 64.537 53.561 1.00 0.00 WT1 H ATOM 7321 OH2 TIP3 1466 33.977 76.298 33.070 1.00 0.00 WT1 O ATOM 7322 H1 TIP3 1466 34.647 76.369 33.750 1.00 0.00 WT1 H ATOM 7323 H2 TIP3 1466 34.429 75.894 32.329 1.00 0.00 WT1 H ATOM 7324 OH2 TIP3 1467 69.567 30.326 50.977 1.00 0.00 WT1 O ATOM 7325 H1 TIP3 1467 69.241 31.151 51.336 1.00 0.00 WT1 H ATOM 7326 H2 TIP3 1467 68.941 30.099 50.289 1.00 0.00 WT1 H ATOM 7327 OH2 TIP3 1468 51.476 15.502 53.090 1.00 0.00 WT1 O ATOM 7328 H1 TIP3 1468 50.870 15.155 52.435 1.00 0.00 WT1 H ATOM 7329 H2 TIP3 1468 51.804 16.315 52.706 1.00 0.00 WT1 H ATOM 7330 OH2 TIP3 1469 41.140 29.682 58.007 1.00 0.00 WT1 O ATOM 7331 H1 TIP3 1469 41.370 29.658 57.078 1.00 0.00 WT1 H ATOM 7332 H2 TIP3 1469 40.510 30.400 58.079 1.00 0.00 WT1 H ATOM 7333 OH2 TIP3 1470 21.396 7.085 62.751 1.00 0.00 WT1 O ATOM 7334 H1 TIP3 1470 21.904 7.882 62.897 1.00 0.00 WT1 H ATOM 7335 H2 TIP3 1470 21.403 6.966 61.801 1.00 0.00 WT1 H ATOM 7336 OH2 TIP3 1471 47.101 11.466 15.245 1.00 0.00 WT1 O ATOM 7337 H1 TIP3 1471 47.350 11.820 16.099 1.00 0.00 WT1 H ATOM 7338 H2 TIP3 1471 46.848 12.233 14.732 1.00 0.00 WT1 H ATOM 7339 OH2 TIP3 1472 42.657 61.519 -16.321 1.00 0.00 WT1 O ATOM 7340 H1 TIP3 1472 43.363 61.701 -16.941 1.00 0.00 WT1 H ATOM 7341 H2 TIP3 1472 43.066 61.605 -15.460 1.00 0.00 WT1 H ATOM 7342 OH2 TIP3 1473 59.233 45.158 32.237 1.00 0.00 WT1 O ATOM 7343 H1 TIP3 1473 60.082 44.893 31.884 1.00 0.00 WT1 H ATOM 7344 H2 TIP3 1473 59.093 46.038 31.889 1.00 0.00 WT1 H ATOM 7345 OH2 TIP3 1474 56.163 2.666 58.358 1.00 0.00 WT1 O ATOM 7346 H1 TIP3 1474 55.860 2.931 57.489 1.00 0.00 WT1 H ATOM 7347 H2 TIP3 1474 55.719 3.263 58.960 1.00 0.00 WT1 H ATOM 7348 OH2 TIP3 1475 39.155 37.653 4.531 1.00 0.00 WT1 O ATOM 7349 H1 TIP3 1475 38.420 37.469 5.116 1.00 0.00 WT1 H ATOM 7350 H2 TIP3 1475 39.821 38.041 5.099 1.00 0.00 WT1 H ATOM 7351 OH2 TIP3 1476 39.014 39.863 19.529 1.00 0.00 WT1 O ATOM 7352 H1 TIP3 1476 39.633 39.144 19.649 1.00 0.00 WT1 H ATOM 7353 H2 TIP3 1476 39.538 40.654 19.650 1.00 0.00 WT1 H ATOM 7354 OH2 TIP3 1477 39.168 51.257 15.305 1.00 0.00 WT1 O ATOM 7355 H1 TIP3 1477 39.501 51.852 15.977 1.00 0.00 WT1 H ATOM 7356 H2 TIP3 1477 39.726 51.419 14.544 1.00 0.00 WT1 H ATOM 7357 OH2 TIP3 1478 29.347 65.438 61.983 1.00 0.00 WT1 O ATOM 7358 H1 TIP3 1478 29.218 65.652 61.059 1.00 0.00 WT1 H ATOM 7359 H2 TIP3 1478 29.868 64.636 61.973 1.00 0.00 WT1 H ATOM 7360 OH2 TIP3 1479 40.094 31.659 43.787 1.00 0.00 WT1 O ATOM 7361 H1 TIP3 1479 40.575 30.932 43.392 1.00 0.00 WT1 H ATOM 7362 H2 TIP3 1479 39.546 31.998 43.079 1.00 0.00 WT1 H ATOM 7363 OH2 TIP3 1480 45.127 19.236 -1.944 1.00 0.00 WT1 O ATOM 7364 H1 TIP3 1480 45.212 19.210 -0.991 1.00 0.00 WT1 H ATOM 7365 H2 TIP3 1480 45.642 18.491 -2.252 1.00 0.00 WT1 H ATOM 7366 OH2 TIP3 1482 70.199 6.043 18.513 1.00 0.00 WT1 O ATOM 7367 H1 TIP3 1482 69.477 5.584 18.082 1.00 0.00 WT1 H ATOM 7368 H2 TIP3 1482 70.628 6.529 17.809 1.00 0.00 WT1 H ATOM 7369 OH2 TIP3 1483 66.226 32.990 17.367 1.00 0.00 WT1 O ATOM 7370 H1 TIP3 1483 66.116 33.369 18.239 1.00 0.00 WT1 H ATOM 7371 H2 TIP3 1483 65.627 33.489 16.811 1.00 0.00 WT1 H ATOM 7372 OH2 TIP3 1484 31.434 14.615 24.354 1.00 0.00 WT1 O ATOM 7373 H1 TIP3 1484 31.918 15.261 23.840 1.00 0.00 WT1 H ATOM 7374 H2 TIP3 1484 30.779 15.127 24.828 1.00 0.00 WT1 H ATOM 7375 OH2 TIP3 1485 86.392 30.512 47.643 1.00 0.00 WT1 O ATOM 7376 H1 TIP3 1485 86.834 30.154 48.413 1.00 0.00 WT1 H ATOM 7377 H2 TIP3 1485 86.893 31.297 47.423 1.00 0.00 WT1 H ATOM 7378 OH2 TIP3 1486 34.557 31.279 13.899 1.00 0.00 WT1 O ATOM 7379 H1 TIP3 1486 34.678 31.363 12.953 1.00 0.00 WT1 H ATOM 7380 H2 TIP3 1486 35.143 31.936 14.275 1.00 0.00 WT1 H ATOM 7381 OH2 TIP3 1487 46.527 12.580 -13.074 1.00 0.00 WT1 O ATOM 7382 H1 TIP3 1487 46.215 11.713 -12.815 1.00 0.00 WT1 H ATOM 7383 H2 TIP3 1487 46.923 12.939 -12.281 1.00 0.00 WT1 H ATOM 7384 OH2 TIP3 1488 79.172 46.856 42.682 1.00 0.00 WT1 O ATOM 7385 H1 TIP3 1488 78.583 46.229 42.261 1.00 0.00 WT1 H ATOM 7386 H2 TIP3 1488 78.589 47.484 43.109 1.00 0.00 WT1 H ATOM 7387 OH2 TIP3 1489 60.795 43.105 50.866 1.00 0.00 WT1 O ATOM 7388 H1 TIP3 1489 60.268 42.741 50.154 1.00 0.00 WT1 H ATOM 7389 H2 TIP3 1489 60.170 43.594 51.401 1.00 0.00 WT1 H ATOM 7390 OH2 TIP3 1490 60.016 53.641 36.574 1.00 0.00 WT1 O ATOM 7391 H1 TIP3 1490 59.159 53.215 36.581 1.00 0.00 WT1 H ATOM 7392 H2 TIP3 1490 60.248 53.698 35.647 1.00 0.00 WT1 H ATOM 7393 OH2 TIP3 1491 27.976 9.319 -18.725 1.00 0.00 WT1 O ATOM 7394 H1 TIP3 1491 28.174 9.781 -17.910 1.00 0.00 WT1 H ATOM 7395 H2 TIP3 1491 28.069 8.393 -18.504 1.00 0.00 WT1 H ATOM 7396 OH2 TIP3 1492 48.004 21.734 4.393 1.00 0.00 WT1 O ATOM 7397 H1 TIP3 1492 48.791 21.857 3.863 1.00 0.00 WT1 H ATOM 7398 H2 TIP3 1492 48.303 21.241 5.156 1.00 0.00 WT1 H ATOM 7399 OH2 TIP3 1493 87.204 30.833 -19.214 1.00 0.00 WT1 O ATOM 7400 H1 TIP3 1493 86.617 31.522 -19.525 1.00 0.00 WT1 H ATOM 7401 H2 TIP3 1493 86.647 30.058 -19.143 1.00 0.00 WT1 H ATOM 7402 OH2 TIP3 1494 66.126 94.838 61.178 1.00 0.00 WT1 O ATOM 7403 H1 TIP3 1494 66.200 94.508 60.283 1.00 0.00 WT1 H ATOM 7404 H2 TIP3 1494 66.063 94.050 61.719 1.00 0.00 WT1 H ATOM 7405 OH2 TIP3 1495 23.123 94.206 -0.909 1.00 0.00 WT1 O ATOM 7406 H1 TIP3 1495 22.717 94.948 -1.357 1.00 0.00 WT1 H ATOM 7407 H2 TIP3 1495 22.534 94.013 -0.180 1.00 0.00 WT1 H ATOM 7408 OH2 TIP3 1496 28.842 46.773 50.512 1.00 0.00 WT1 O ATOM 7409 H1 TIP3 1496 29.539 46.553 51.129 1.00 0.00 WT1 H ATOM 7410 H2 TIP3 1496 29.186 46.511 49.658 1.00 0.00 WT1 H ATOM 7411 OH2 TIP3 1497 36.242 88.708 13.782 1.00 0.00 WT1 O ATOM 7412 H1 TIP3 1497 36.517 89.304 14.479 1.00 0.00 WT1 H ATOM 7413 H2 TIP3 1497 36.607 87.860 14.034 1.00 0.00 WT1 H ATOM 7414 OH2 TIP3 1498 64.858 82.353 -9.542 1.00 0.00 WT1 O ATOM 7415 H1 TIP3 1498 64.538 81.623 -10.072 1.00 0.00 WT1 H ATOM 7416 H2 TIP3 1498 65.426 81.944 -8.889 1.00 0.00 WT1 H ATOM 7417 OH2 TIP3 1499 21.470 93.250 -17.850 1.00 0.00 WT1 O ATOM 7418 H1 TIP3 1499 21.853 92.752 -17.127 1.00 0.00 WT1 H ATOM 7419 H2 TIP3 1499 21.163 94.061 -17.446 1.00 0.00 WT1 H ATOM 7420 OH2 TIP3 1500 27.675 34.981 -4.005 1.00 0.00 WT1 O ATOM 7421 H1 TIP3 1500 27.404 34.066 -4.076 1.00 0.00 WT1 H ATOM 7422 H2 TIP3 1500 27.492 35.353 -4.868 1.00 0.00 WT1 H ATOM 7423 OH2 TIP3 1501 77.533 72.156 38.662 1.00 0.00 WT1 O ATOM 7424 H1 TIP3 1501 78.333 72.636 38.450 1.00 0.00 WT1 H ATOM 7425 H2 TIP3 1501 77.052 72.114 37.836 1.00 0.00 WT1 H ATOM 7426 OH2 TIP3 1502 51.384 40.267 42.672 1.00 0.00 WT1 O ATOM 7427 H1 TIP3 1502 50.740 40.700 43.232 1.00 0.00 WT1 H ATOM 7428 H2 TIP3 1502 51.404 40.797 41.875 1.00 0.00 WT1 H ATOM 7429 OH2 TIP3 1503 24.261 43.914 -1.188 1.00 0.00 WT1 O ATOM 7430 H1 TIP3 1503 23.460 43.392 -1.159 1.00 0.00 WT1 H ATOM 7431 H2 TIP3 1503 24.458 44.102 -0.270 1.00 0.00 WT1 H ATOM 7432 OH2 TIP3 1504 35.096 35.714 9.161 1.00 0.00 WT1 O ATOM 7433 H1 TIP3 1504 35.548 36.181 9.864 1.00 0.00 WT1 H ATOM 7434 H2 TIP3 1504 34.580 35.045 9.610 1.00 0.00 WT1 H ATOM 7435 OH2 TIP3 1505 33.753 80.536 25.230 1.00 0.00 WT1 O ATOM 7436 H1 TIP3 1505 33.488 80.261 26.108 1.00 0.00 WT1 H ATOM 7437 H2 TIP3 1505 33.207 81.298 25.042 1.00 0.00 WT1 H ATOM 7438 OH2 TIP3 1508 36.848 11.640 27.935 1.00 0.00 WT1 O ATOM 7439 H1 TIP3 1508 36.669 10.837 27.446 1.00 0.00 WT1 H ATOM 7440 H2 TIP3 1508 36.020 11.847 28.367 1.00 0.00 WT1 H ATOM 7441 OH2 TIP3 1509 20.923 13.053 55.472 1.00 0.00 WT1 O ATOM 7442 H1 TIP3 1509 21.036 13.813 56.043 1.00 0.00 WT1 H ATOM 7443 H2 TIP3 1509 20.024 12.766 55.630 1.00 0.00 WT1 H ATOM 7444 OH2 TIP3 1510 75.553 39.904 58.264 1.00 0.00 WT1 O ATOM 7445 H1 TIP3 1510 75.474 40.373 57.433 1.00 0.00 WT1 H ATOM 7446 H2 TIP3 1510 76.044 39.112 58.047 1.00 0.00 WT1 H ATOM 7447 OH2 TIP3 1511 64.644 33.857 19.879 1.00 0.00 WT1 O ATOM 7448 H1 TIP3 1511 64.502 34.621 19.319 1.00 0.00 WT1 H ATOM 7449 H2 TIP3 1511 63.996 33.218 19.581 1.00 0.00 WT1 H ATOM 7450 OH2 TIP3 1512 83.725 29.997 64.016 1.00 0.00 WT1 O ATOM 7451 H1 TIP3 1512 83.142 30.499 63.447 1.00 0.00 WT1 H ATOM 7452 H2 TIP3 1512 84.605 30.275 63.764 1.00 0.00 WT1 H ATOM 7453 OH2 TIP3 1514 72.934 25.607 11.049 1.00 0.00 WT1 O ATOM 7454 H1 TIP3 1514 73.106 24.990 11.761 1.00 0.00 WT1 H ATOM 7455 H2 TIP3 1514 72.779 25.054 10.284 1.00 0.00 WT1 H ATOM 7456 OH2 TIP3 1515 74.489 25.493 55.780 1.00 0.00 WT1 O ATOM 7457 H1 TIP3 1515 74.673 24.610 55.461 1.00 0.00 WT1 H ATOM 7458 H2 TIP3 1515 74.097 25.942 55.031 1.00 0.00 WT1 H ATOM 7459 OH2 TIP3 1516 55.947 46.968 -2.867 1.00 0.00 WT1 O ATOM 7460 H1 TIP3 1516 55.740 46.037 -2.778 1.00 0.00 WT1 H ATOM 7461 H2 TIP3 1516 56.226 47.236 -1.992 1.00 0.00 WT1 H ATOM 7462 OH2 TIP3 1517 44.855 46.625 -0.921 1.00 0.00 WT1 O ATOM 7463 H1 TIP3 1517 45.571 47.245 -0.778 1.00 0.00 WT1 H ATOM 7464 H2 TIP3 1517 44.305 46.710 -0.141 1.00 0.00 WT1 H ATOM 7465 OH2 TIP3 1518 78.984 55.529 50.981 1.00 0.00 WT1 O ATOM 7466 H1 TIP3 1518 79.924 55.629 50.832 1.00 0.00 WT1 H ATOM 7467 H2 TIP3 1518 78.597 56.324 50.615 1.00 0.00 WT1 H ATOM 7468 OH2 TIP3 1519 50.032 10.674 58.370 1.00 0.00 WT1 O ATOM 7469 H1 TIP3 1519 49.083 10.601 58.268 1.00 0.00 WT1 H ATOM 7470 H2 TIP3 1519 50.154 11.419 58.958 1.00 0.00 WT1 H ATOM 7471 OH2 TIP3 1520 81.521 14.310 7.347 1.00 0.00 WT1 O ATOM 7472 H1 TIP3 1520 81.953 14.965 6.799 1.00 0.00 WT1 H ATOM 7473 H2 TIP3 1520 81.632 14.634 8.241 1.00 0.00 WT1 H ATOM 7474 OH2 TIP3 1521 55.518 64.312 40.790 1.00 0.00 WT1 O ATOM 7475 H1 TIP3 1521 55.894 63.495 41.117 1.00 0.00 WT1 H ATOM 7476 H2 TIP3 1521 55.209 64.100 39.909 1.00 0.00 WT1 H ATOM 7477 OH2 TIP3 1522 62.216 71.444 27.937 1.00 0.00 WT1 O ATOM 7478 H1 TIP3 1522 61.879 70.684 27.462 1.00 0.00 WT1 H ATOM 7479 H2 TIP3 1522 61.793 71.398 28.794 1.00 0.00 WT1 H ATOM 7480 OH2 TIP3 1523 26.725 45.117 65.345 1.00 0.00 WT1 O ATOM 7481 H1 TIP3 1523 26.752 45.935 64.849 1.00 0.00 WT1 H ATOM 7482 H2 TIP3 1523 25.853 44.761 65.173 1.00 0.00 WT1 H ATOM 7483 OH2 TIP3 1524 70.683 42.635 22.412 1.00 0.00 WT1 O ATOM 7484 H1 TIP3 1524 70.376 41.767 22.153 1.00 0.00 WT1 H ATOM 7485 H2 TIP3 1524 70.237 43.236 21.815 1.00 0.00 WT1 H ATOM 7486 OH2 TIP3 1525 36.800 7.205 -2.797 1.00 0.00 WT1 O ATOM 7487 H1 TIP3 1525 37.412 7.385 -2.083 1.00 0.00 WT1 H ATOM 7488 H2 TIP3 1525 36.360 6.395 -2.537 1.00 0.00 WT1 H ATOM 7489 OH2 TIP3 1527 76.318 37.838 15.540 1.00 0.00 WT1 O ATOM 7490 H1 TIP3 1527 76.220 37.418 14.686 1.00 0.00 WT1 H ATOM 7491 H2 TIP3 1527 76.449 37.112 16.151 1.00 0.00 WT1 H ATOM 7492 OH2 TIP3 1530 38.985 65.228 41.488 1.00 0.00 WT1 O ATOM 7493 H1 TIP3 1530 39.869 65.584 41.580 1.00 0.00 WT1 H ATOM 7494 H2 TIP3 1530 38.629 65.236 42.376 1.00 0.00 WT1 H ATOM 7495 OH2 TIP3 1531 75.232 35.056 61.657 1.00 0.00 WT1 O ATOM 7496 H1 TIP3 1531 74.592 34.939 60.954 1.00 0.00 WT1 H ATOM 7497 H2 TIP3 1531 74.985 35.883 62.071 1.00 0.00 WT1 H ATOM 7498 OH2 TIP3 1532 33.645 79.693 -12.243 1.00 0.00 WT1 O ATOM 7499 H1 TIP3 1532 34.053 79.473 -11.406 1.00 0.00 WT1 H ATOM 7500 H2 TIP3 1532 34.342 80.111 -12.748 1.00 0.00 WT1 H ATOM 7501 OH2 TIP3 1533 63.527 38.926 65.466 1.00 0.00 WT1 O ATOM 7502 H1 TIP3 1533 62.602 38.776 65.269 1.00 0.00 WT1 H ATOM 7503 H2 TIP3 1533 63.617 38.690 66.389 1.00 0.00 WT1 H ATOM 7504 OH2 TIP3 1534 40.611 27.492 -3.608 1.00 0.00 WT1 O ATOM 7505 H1 TIP3 1534 41.299 26.833 -3.509 1.00 0.00 WT1 H ATOM 7506 H2 TIP3 1534 40.080 27.405 -2.816 1.00 0.00 WT1 H ATOM 7507 OH2 TIP3 1536 75.281 77.633 19.357 1.00 0.00 WT1 O ATOM 7508 H1 TIP3 1536 75.043 76.752 19.648 1.00 0.00 WT1 H ATOM 7509 H2 TIP3 1536 75.166 77.611 18.407 1.00 0.00 WT1 H ATOM 7510 OH2 TIP3 1537 71.684 47.965 19.811 1.00 0.00 WT1 O ATOM 7511 H1 TIP3 1537 71.288 47.121 20.031 1.00 0.00 WT1 H ATOM 7512 H2 TIP3 1537 70.942 48.523 19.576 1.00 0.00 WT1 H ATOM 7513 OH2 TIP3 1538 42.168 79.877 10.634 1.00 0.00 WT1 O ATOM 7514 H1 TIP3 1538 43.020 80.309 10.583 1.00 0.00 WT1 H ATOM 7515 H2 TIP3 1538 42.360 79.011 10.995 1.00 0.00 WT1 H ATOM 7516 OH2 TIP3 1539 83.011 66.990 0.159 1.00 0.00 WT1 O ATOM 7517 H1 TIP3 1539 82.232 66.659 -0.287 1.00 0.00 WT1 H ATOM 7518 H2 TIP3 1539 82.912 66.697 1.065 1.00 0.00 WT1 H ATOM 7519 OH2 TIP3 1540 26.942 10.081 51.243 1.00 0.00 WT1 O ATOM 7520 H1 TIP3 1540 26.449 9.282 51.433 1.00 0.00 WT1 H ATOM 7521 H2 TIP3 1540 27.334 9.922 50.385 1.00 0.00 WT1 H ATOM 7522 OH2 TIP3 1541 78.368 46.971 50.157 1.00 0.00 WT1 O ATOM 7523 H1 TIP3 1541 77.496 47.176 49.817 1.00 0.00 WT1 H ATOM 7524 H2 TIP3 1541 78.568 47.691 50.755 1.00 0.00 WT1 H ATOM 7525 OH2 TIP3 1542 87.184 30.480 19.608 1.00 0.00 WT1 O ATOM 7526 H1 TIP3 1542 87.583 31.222 20.062 1.00 0.00 WT1 H ATOM 7527 H2 TIP3 1542 86.298 30.428 19.965 1.00 0.00 WT1 H ATOM 7528 OH2 TIP3 1543 62.459 19.610 4.711 1.00 0.00 WT1 O ATOM 7529 H1 TIP3 1543 62.340 20.556 4.631 1.00 0.00 WT1 H ATOM 7530 H2 TIP3 1543 62.621 19.312 3.816 1.00 0.00 WT1 H ATOM 7531 OH2 TIP3 1544 40.841 60.300 -18.999 1.00 0.00 WT1 O ATOM 7532 H1 TIP3 1544 40.001 59.891 -18.791 1.00 0.00 WT1 H ATOM 7533 H2 TIP3 1544 41.472 59.852 -18.436 1.00 0.00 WT1 H ATOM 7534 OH2 TIP3 1545 42.798 71.394 64.000 1.00 0.00 WT1 O ATOM 7535 H1 TIP3 1545 43.654 71.073 64.284 1.00 0.00 WT1 H ATOM 7536 H2 TIP3 1545 42.991 72.200 63.521 1.00 0.00 WT1 H ATOM 7537 OH2 TIP3 1546 60.345 20.290 42.241 1.00 0.00 WT1 O ATOM 7538 H1 TIP3 1546 61.063 19.838 41.798 1.00 0.00 WT1 H ATOM 7539 H2 TIP3 1546 59.922 20.802 41.552 1.00 0.00 WT1 H ATOM 7540 OH2 TIP3 1548 40.009 77.899 -13.010 1.00 0.00 WT1 O ATOM 7541 H1 TIP3 1548 39.904 78.093 -12.079 1.00 0.00 WT1 H ATOM 7542 H2 TIP3 1548 39.463 77.126 -13.157 1.00 0.00 WT1 H ATOM 7543 OH2 TIP3 1549 82.326 47.577 50.850 1.00 0.00 WT1 O ATOM 7544 H1 TIP3 1549 82.351 47.573 51.807 1.00 0.00 WT1 H ATOM 7545 H2 TIP3 1549 81.752 48.310 50.629 1.00 0.00 WT1 H ATOM 7546 OH2 TIP3 1550 41.311 72.693 27.872 1.00 0.00 WT1 O ATOM 7547 H1 TIP3 1550 41.958 73.247 28.307 1.00 0.00 WT1 H ATOM 7548 H2 TIP3 1550 41.754 72.381 27.083 1.00 0.00 WT1 H ATOM 7549 OH2 TIP3 1551 90.506 11.149 46.829 1.00 0.00 WT1 O ATOM 7550 H1 TIP3 1551 90.320 11.238 45.894 1.00 0.00 WT1 H ATOM 7551 H2 TIP3 1551 90.776 12.025 47.104 1.00 0.00 WT1 H ATOM 7552 OH2 TIP3 1552 63.186 94.603 15.752 1.00 0.00 WT1 O ATOM 7553 H1 TIP3 1552 63.979 94.641 16.288 1.00 0.00 WT1 H ATOM 7554 H2 TIP3 1552 62.719 93.831 16.070 1.00 0.00 WT1 H ATOM 7555 OH2 TIP3 1553 39.084 45.753 35.749 1.00 0.00 WT1 O ATOM 7556 H1 TIP3 1553 39.316 44.842 35.931 1.00 0.00 WT1 H ATOM 7557 H2 TIP3 1553 39.805 46.082 35.213 1.00 0.00 WT1 H ATOM 7558 OH2 TIP3 1554 51.623 65.119 -15.797 1.00 0.00 WT1 O ATOM 7559 H1 TIP3 1554 51.166 64.678 -16.513 1.00 0.00 WT1 H ATOM 7560 H2 TIP3 1554 51.284 66.014 -15.811 1.00 0.00 WT1 H ATOM 7561 OH2 TIP3 1555 35.325 29.765 -11.475 1.00 0.00 WT1 O ATOM 7562 H1 TIP3 1555 35.932 29.822 -10.736 1.00 0.00 WT1 H ATOM 7563 H2 TIP3 1555 34.595 29.241 -11.146 1.00 0.00 WT1 H ATOM 7564 OH2 TIP3 1556 36.913 56.156 6.367 1.00 0.00 WT1 O ATOM 7565 H1 TIP3 1556 37.005 56.939 6.910 1.00 0.00 WT1 H ATOM 7566 H2 TIP3 1556 37.747 55.698 6.464 1.00 0.00 WT1 H ATOM 7567 OH2 TIP3 1557 49.236 26.027 -7.005 1.00 0.00 WT1 O ATOM 7568 H1 TIP3 1557 50.175 26.045 -7.189 1.00 0.00 WT1 H ATOM 7569 H2 TIP3 1557 49.070 25.136 -6.696 1.00 0.00 WT1 H ATOM 7570 OH2 TIP3 1558 24.701 33.751 26.577 1.00 0.00 WT1 O ATOM 7571 H1 TIP3 1558 24.953 34.652 26.377 1.00 0.00 WT1 H ATOM 7572 H2 TIP3 1558 25.415 33.218 26.226 1.00 0.00 WT1 H ATOM 7573 OH2 TIP3 1559 52.555 74.561 26.498 1.00 0.00 WT1 O ATOM 7574 H1 TIP3 1559 53.031 74.716 25.683 1.00 0.00 WT1 H ATOM 7575 H2 TIP3 1559 52.211 73.672 26.409 1.00 0.00 WT1 H ATOM 7576 OH2 TIP3 1560 66.015 50.299 -14.447 1.00 0.00 WT1 O ATOM 7577 H1 TIP3 1560 65.838 51.215 -14.234 1.00 0.00 WT1 H ATOM 7578 H2 TIP3 1560 66.040 49.855 -13.599 1.00 0.00 WT1 H ATOM 7579 OH2 TIP3 1561 35.235 11.068 42.254 1.00 0.00 WT1 O ATOM 7580 H1 TIP3 1561 36.160 11.182 42.035 1.00 0.00 WT1 H ATOM 7581 H2 TIP3 1561 34.940 10.353 41.689 1.00 0.00 WT1 H ATOM 7582 OH2 TIP3 1562 30.135 78.481 -0.841 1.00 0.00 WT1 O ATOM 7583 H1 TIP3 1562 30.341 77.568 -1.039 1.00 0.00 WT1 H ATOM 7584 H2 TIP3 1562 30.987 78.896 -0.707 1.00 0.00 WT1 H ATOM 7585 OH2 TIP3 1563 43.767 44.304 36.256 1.00 0.00 WT1 O ATOM 7586 H1 TIP3 1563 44.285 45.030 36.604 1.00 0.00 WT1 H ATOM 7587 H2 TIP3 1563 44.078 44.196 35.357 1.00 0.00 WT1 H ATOM 7588 OH2 TIP3 1564 37.332 0.430 -15.014 1.00 0.00 WT1 O ATOM 7589 H1 TIP3 1564 38.242 0.577 -15.273 1.00 0.00 WT1 H ATOM 7590 H2 TIP3 1564 37.340 0.497 -14.059 1.00 0.00 WT1 H ATOM 7591 OH2 TIP3 1565 87.929 6.695 -6.042 1.00 0.00 WT1 O ATOM 7592 H1 TIP3 1565 87.083 6.451 -5.665 1.00 0.00 WT1 H ATOM 7593 H2 TIP3 1565 88.444 5.888 -6.017 1.00 0.00 WT1 H ATOM 7594 OH2 TIP3 1566 84.646 20.911 62.992 1.00 0.00 WT1 O ATOM 7595 H1 TIP3 1566 84.563 20.660 63.912 1.00 0.00 WT1 H ATOM 7596 H2 TIP3 1566 85.309 21.601 62.991 1.00 0.00 WT1 H ATOM 7597 OH2 TIP3 1567 43.223 50.422 25.323 1.00 0.00 WT1 O ATOM 7598 H1 TIP3 1567 43.135 51.149 24.706 1.00 0.00 WT1 H ATOM 7599 H2 TIP3 1567 43.860 49.837 24.913 1.00 0.00 WT1 H ATOM 7600 OH2 TIP3 1569 57.211 55.018 21.181 1.00 0.00 WT1 O ATOM 7601 H1 TIP3 1569 57.351 54.511 21.980 1.00 0.00 WT1 H ATOM 7602 H2 TIP3 1569 56.753 54.417 20.593 1.00 0.00 WT1 H ATOM 7603 OH2 TIP3 1570 82.433 24.903 30.453 1.00 0.00 WT1 O ATOM 7604 H1 TIP3 1570 82.811 24.775 31.323 1.00 0.00 WT1 H ATOM 7605 H2 TIP3 1570 82.964 25.596 30.060 1.00 0.00 WT1 H ATOM 7606 OH2 TIP3 1571 35.753 79.983 44.124 1.00 0.00 WT1 O ATOM 7607 H1 TIP3 1571 36.459 79.995 43.477 1.00 0.00 WT1 H ATOM 7608 H2 TIP3 1571 34.968 79.774 43.619 1.00 0.00 WT1 H ATOM 7609 OH2 TIP3 1572 34.631 8.374 60.204 1.00 0.00 WT1 O ATOM 7610 H1 TIP3 1572 34.712 7.920 61.043 1.00 0.00 WT1 H ATOM 7611 H2 TIP3 1572 33.876 8.951 60.316 1.00 0.00 WT1 H ATOM 7612 OH2 TIP3 1574 70.471 42.410 25.404 1.00 0.00 WT1 O ATOM 7613 H1 TIP3 1574 70.012 41.679 24.990 1.00 0.00 WT1 H ATOM 7614 H2 TIP3 1574 70.387 43.131 24.779 1.00 0.00 WT1 H ATOM 7615 OH2 TIP3 1575 68.770 1.004 38.654 1.00 0.00 WT1 O ATOM 7616 H1 TIP3 1575 69.657 1.351 38.745 1.00 0.00 WT1 H ATOM 7617 H2 TIP3 1575 68.880 0.053 38.675 1.00 0.00 WT1 H ATOM 7618 OH2 TIP3 1576 27.618 41.423 58.812 1.00 0.00 WT1 O ATOM 7619 H1 TIP3 1576 26.821 40.895 58.756 1.00 0.00 WT1 H ATOM 7620 H2 TIP3 1576 28.327 40.782 58.866 1.00 0.00 WT1 H ATOM 7621 OH2 TIP3 1577 26.073 35.681 -9.191 1.00 0.00 WT1 O ATOM 7622 H1 TIP3 1577 25.632 35.851 -8.359 1.00 0.00 WT1 H ATOM 7623 H2 TIP3 1577 25.708 34.848 -9.490 1.00 0.00 WT1 H ATOM 7624 OH2 TIP3 1578 44.286 41.319 38.718 1.00 0.00 WT1 O ATOM 7625 H1 TIP3 1578 44.650 41.171 37.844 1.00 0.00 WT1 H ATOM 7626 H2 TIP3 1578 43.392 41.619 38.558 1.00 0.00 WT1 H ATOM 7627 OH2 TIP3 1579 48.108 40.745 -6.764 1.00 0.00 WT1 O ATOM 7628 H1 TIP3 1579 48.271 40.332 -5.916 1.00 0.00 WT1 H ATOM 7629 H2 TIP3 1579 47.419 41.386 -6.590 1.00 0.00 WT1 H ATOM 7630 OH2 TIP3 1580 25.860 67.684 -12.859 1.00 0.00 WT1 O ATOM 7631 H1 TIP3 1580 26.708 67.455 -13.240 1.00 0.00 WT1 H ATOM 7632 H2 TIP3 1580 26.046 67.832 -11.932 1.00 0.00 WT1 H ATOM 7633 OH2 TIP3 1581 75.269 33.975 -9.929 1.00 0.00 WT1 O ATOM 7634 H1 TIP3 1581 76.105 34.065 -9.472 1.00 0.00 WT1 H ATOM 7635 H2 TIP3 1581 75.509 33.737 -10.825 1.00 0.00 WT1 H ATOM 7636 OH2 TIP3 1582 44.110 7.846 34.397 1.00 0.00 WT1 O ATOM 7637 H1 TIP3 1582 44.120 7.043 34.918 1.00 0.00 WT1 H ATOM 7638 H2 TIP3 1582 44.751 8.416 34.823 1.00 0.00 WT1 H ATOM 7639 OH2 TIP3 1583 24.155 25.996 2.135 1.00 0.00 WT1 O ATOM 7640 H1 TIP3 1583 24.980 26.411 2.387 1.00 0.00 WT1 H ATOM 7641 H2 TIP3 1583 23.797 26.567 1.456 1.00 0.00 WT1 H ATOM 7642 OH2 TIP3 1584 41.235 15.152 25.037 1.00 0.00 WT1 O ATOM 7643 H1 TIP3 1584 41.196 15.819 24.353 1.00 0.00 WT1 H ATOM 7644 H2 TIP3 1584 40.370 14.744 25.025 1.00 0.00 WT1 H ATOM 7645 OH2 TIP3 1585 39.835 73.283 -9.901 1.00 0.00 WT1 O ATOM 7646 H1 TIP3 1585 40.735 73.239 -9.579 1.00 0.00 WT1 H ATOM 7647 H2 TIP3 1585 39.381 73.841 -9.270 1.00 0.00 WT1 H ATOM 7648 OH2 TIP3 1586 40.371 37.759 32.521 1.00 0.00 WT1 O ATOM 7649 H1 TIP3 1586 39.728 38.439 32.717 1.00 0.00 WT1 H ATOM 7650 H2 TIP3 1586 41.041 38.204 32.002 1.00 0.00 WT1 H ATOM 7651 OH2 TIP3 1587 65.153 24.491 62.623 1.00 0.00 WT1 O ATOM 7652 H1 TIP3 1587 64.414 24.503 63.232 1.00 0.00 WT1 H ATOM 7653 H2 TIP3 1587 64.829 24.941 61.844 1.00 0.00 WT1 H ATOM 7654 OH2 TIP3 1588 57.607 46.269 18.094 1.00 0.00 WT1 O ATOM 7655 H1 TIP3 1588 56.826 46.406 18.630 1.00 0.00 WT1 H ATOM 7656 H2 TIP3 1588 57.839 47.143 17.780 1.00 0.00 WT1 H ATOM 7657 OH2 TIP3 1589 84.254 23.243 -12.137 1.00 0.00 WT1 O ATOM 7658 H1 TIP3 1589 83.884 23.757 -12.855 1.00 0.00 WT1 H ATOM 7659 H2 TIP3 1589 83.880 22.369 -12.252 1.00 0.00 WT1 H ATOM 7660 OH2 TIP3 1590 31.464 50.887 45.998 1.00 0.00 WT1 O ATOM 7661 H1 TIP3 1590 31.403 51.244 46.884 1.00 0.00 WT1 H ATOM 7662 H2 TIP3 1590 32.145 51.409 45.575 1.00 0.00 WT1 H ATOM 7663 OH2 TIP3 1591 41.077 19.339 9.700 1.00 0.00 WT1 O ATOM 7664 H1 TIP3 1591 41.867 18.832 9.515 1.00 0.00 WT1 H ATOM 7665 H2 TIP3 1591 41.015 19.346 10.656 1.00 0.00 WT1 H ATOM 7666 OH2 TIP3 1592 82.465 62.740 8.962 1.00 0.00 WT1 O ATOM 7667 H1 TIP3 1592 83.037 62.891 8.210 1.00 0.00 WT1 H ATOM 7668 H2 TIP3 1592 82.785 61.924 9.348 1.00 0.00 WT1 H ATOM 7669 OH2 TIP3 1594 33.021 31.366 63.839 1.00 0.00 WT1 O ATOM 7670 H1 TIP3 1594 32.617 31.696 64.642 1.00 0.00 WT1 H ATOM 7671 H2 TIP3 1594 32.393 30.729 63.499 1.00 0.00 WT1 H ATOM 7672 OH2 TIP3 1596 70.790 2.931 51.348 1.00 0.00 WT1 O ATOM 7673 H1 TIP3 1596 70.578 3.579 50.676 1.00 0.00 WT1 H ATOM 7674 H2 TIP3 1596 69.968 2.465 51.500 1.00 0.00 WT1 H ATOM 7675 OH2 TIP3 1597 85.601 32.074 -6.202 1.00 0.00 WT1 O ATOM 7676 H1 TIP3 1597 85.121 31.455 -6.753 1.00 0.00 WT1 H ATOM 7677 H2 TIP3 1597 85.065 32.157 -5.413 1.00 0.00 WT1 H ATOM 7678 OH2 TIP3 1598 35.014 56.477 41.496 1.00 0.00 WT1 O ATOM 7679 H1 TIP3 1598 35.657 55.876 41.874 1.00 0.00 WT1 H ATOM 7680 H2 TIP3 1598 35.263 56.546 40.574 1.00 0.00 WT1 H ATOM 7681 OH2 TIP3 1599 40.557 45.166 -5.243 1.00 0.00 WT1 O ATOM 7682 H1 TIP3 1599 40.313 46.049 -5.522 1.00 0.00 WT1 H ATOM 7683 H2 TIP3 1599 41.499 45.216 -5.085 1.00 0.00 WT1 H ATOM 7684 OH2 TIP3 1600 57.588 62.656 44.906 1.00 0.00 WT1 O ATOM 7685 H1 TIP3 1600 57.239 61.960 45.462 1.00 0.00 WT1 H ATOM 7686 H2 TIP3 1600 57.335 62.404 44.018 1.00 0.00 WT1 H ATOM 7687 OH2 TIP3 1601 81.598 62.869 -6.235 1.00 0.00 WT1 O ATOM 7688 H1 TIP3 1601 82.186 62.389 -5.652 1.00 0.00 WT1 H ATOM 7689 H2 TIP3 1601 80.721 62.673 -5.906 1.00 0.00 WT1 H ATOM 7690 OH2 TIP3 1602 37.579 60.736 3.764 1.00 0.00 WT1 O ATOM 7691 H1 TIP3 1602 37.989 59.978 4.180 1.00 0.00 WT1 H ATOM 7692 H2 TIP3 1602 36.699 60.769 4.140 1.00 0.00 WT1 H ATOM 7693 OH2 TIP3 1603 31.737 66.935 62.862 1.00 0.00 WT1 O ATOM 7694 H1 TIP3 1603 32.056 66.316 63.519 1.00 0.00 WT1 H ATOM 7695 H2 TIP3 1603 31.031 66.469 62.415 1.00 0.00 WT1 H ATOM 7696 OH2 TIP3 1604 83.409 46.067 16.592 1.00 0.00 WT1 O ATOM 7697 H1 TIP3 1604 82.813 45.402 16.247 1.00 0.00 WT1 H ATOM 7698 H2 TIP3 1604 83.639 45.753 17.467 1.00 0.00 WT1 H ATOM 7699 OH2 TIP3 1605 67.273 55.031 39.725 1.00 0.00 WT1 O ATOM 7700 H1 TIP3 1605 67.316 55.723 40.384 1.00 0.00 WT1 H ATOM 7701 H2 TIP3 1605 67.457 54.226 40.210 1.00 0.00 WT1 H ATOM 7702 OH2 TIP3 1606 70.332 38.807 43.705 1.00 0.00 WT1 O ATOM 7703 H1 TIP3 1606 71.107 39.220 44.086 1.00 0.00 WT1 H ATOM 7704 H2 TIP3 1606 70.295 39.144 42.810 1.00 0.00 WT1 H ATOM 7705 OH2 TIP3 1607 89.896 33.509 -19.047 1.00 0.00 WT1 O ATOM 7706 H1 TIP3 1607 89.386 34.319 -19.086 1.00 0.00 WT1 H ATOM 7707 H2 TIP3 1607 90.790 33.778 -19.258 1.00 0.00 WT1 H ATOM 7708 OH2 TIP3 1608 57.139 84.538 57.523 1.00 0.00 WT1 O ATOM 7709 H1 TIP3 1608 56.858 85.340 57.963 1.00 0.00 WT1 H ATOM 7710 H2 TIP3 1608 57.936 84.787 57.055 1.00 0.00 WT1 H ATOM 7711 OH2 TIP3 1609 33.925 56.486 7.101 1.00 0.00 WT1 O ATOM 7712 H1 TIP3 1609 34.157 57.412 7.035 1.00 0.00 WT1 H ATOM 7713 H2 TIP3 1609 34.766 56.029 7.125 1.00 0.00 WT1 H ATOM 7714 OH2 TIP3 1611 85.121 43.015 -1.960 1.00 0.00 WT1 O ATOM 7715 H1 TIP3 1611 84.790 43.787 -2.418 1.00 0.00 WT1 H ATOM 7716 H2 TIP3 1611 84.816 43.121 -1.059 1.00 0.00 WT1 H ATOM 7717 OH2 TIP3 1612 76.802 76.679 14.813 1.00 0.00 WT1 O ATOM 7718 H1 TIP3 1612 77.416 77.157 15.371 1.00 0.00 WT1 H ATOM 7719 H2 TIP3 1612 77.219 75.829 14.671 1.00 0.00 WT1 H ATOM 7720 OH2 TIP3 1613 76.801 32.820 34.145 1.00 0.00 WT1 O ATOM 7721 H1 TIP3 1613 77.373 33.357 34.693 1.00 0.00 WT1 H ATOM 7722 H2 TIP3 1613 76.865 31.941 34.519 1.00 0.00 WT1 H ATOM 7723 OH2 TIP3 1614 24.089 43.390 62.239 1.00 0.00 WT1 O ATOM 7724 H1 TIP3 1614 24.238 44.293 61.959 1.00 0.00 WT1 H ATOM 7725 H2 TIP3 1614 24.871 42.918 61.954 1.00 0.00 WT1 H ATOM 7726 OH2 TIP3 1615 45.720 46.496 35.819 1.00 0.00 WT1 O ATOM 7727 H1 TIP3 1615 46.529 46.345 36.306 1.00 0.00 WT1 H ATOM 7728 H2 TIP3 1615 45.229 47.118 36.355 1.00 0.00 WT1 H ATOM 7729 OH2 TIP3 1616 45.025 88.614 53.986 1.00 0.00 WT1 O ATOM 7730 H1 TIP3 1616 45.477 88.211 54.727 1.00 0.00 WT1 H ATOM 7731 H2 TIP3 1616 44.235 88.998 54.367 1.00 0.00 WT1 H ATOM 7732 OH2 TIP3 1617 62.952 58.247 0.934 1.00 0.00 WT1 O ATOM 7733 H1 TIP3 1617 62.740 58.772 1.706 1.00 0.00 WT1 H ATOM 7734 H2 TIP3 1617 62.103 57.953 0.603 1.00 0.00 WT1 H ATOM 7735 OH2 TIP3 1618 46.807 46.024 45.721 1.00 0.00 WT1 O ATOM 7736 H1 TIP3 1618 46.683 46.302 44.814 1.00 0.00 WT1 H ATOM 7737 H2 TIP3 1618 47.756 46.015 45.842 1.00 0.00 WT1 H ATOM 7738 OH2 TIP3 1619 21.837 93.686 1.702 1.00 0.00 WT1 O ATOM 7739 H1 TIP3 1619 21.411 93.524 2.544 1.00 0.00 WT1 H ATOM 7740 H2 TIP3 1619 22.725 93.961 1.932 1.00 0.00 WT1 H ATOM 7741 OH2 TIP3 1620 50.057 93.999 -14.658 1.00 0.00 WT1 O ATOM 7742 H1 TIP3 1620 49.276 94.274 -15.138 1.00 0.00 WT1 H ATOM 7743 H2 TIP3 1620 50.537 93.449 -15.277 1.00 0.00 WT1 H ATOM 7744 OH2 TIP3 1621 81.156 21.880 44.517 1.00 0.00 WT1 O ATOM 7745 H1 TIP3 1621 81.252 22.448 45.281 1.00 0.00 WT1 H ATOM 7746 H2 TIP3 1621 80.363 22.193 44.082 1.00 0.00 WT1 H ATOM 7747 OH2 TIP3 1622 67.156 35.261 64.158 1.00 0.00 WT1 O ATOM 7748 H1 TIP3 1622 66.788 34.412 63.914 1.00 0.00 WT1 H ATOM 7749 H2 TIP3 1622 66.630 35.546 64.905 1.00 0.00 WT1 H ATOM 7750 OH2 TIP3 1623 20.844 61.240 64.963 1.00 0.00 WT1 O ATOM 7751 H1 TIP3 1623 20.131 61.088 64.342 1.00 0.00 WT1 H ATOM 7752 H2 TIP3 1623 21.073 62.162 64.844 1.00 0.00 WT1 H ATOM 7753 OH2 TIP3 1624 31.111 9.955 3.390 1.00 0.00 WT1 O ATOM 7754 H1 TIP3 1624 30.304 10.407 3.637 1.00 0.00 WT1 H ATOM 7755 H2 TIP3 1624 30.941 9.034 3.591 1.00 0.00 WT1 H ATOM 7756 OH2 TIP3 1625 64.114 83.812 64.325 1.00 0.00 WT1 O ATOM 7757 H1 TIP3 1625 63.455 84.026 64.985 1.00 0.00 WT1 H ATOM 7758 H2 TIP3 1625 64.410 82.932 64.557 1.00 0.00 WT1 H ATOM 7759 OH2 TIP3 1626 57.107 9.448 25.214 1.00 0.00 WT1 O ATOM 7760 H1 TIP3 1626 57.430 10.308 25.483 1.00 0.00 WT1 H ATOM 7761 H2 TIP3 1626 57.245 8.890 25.980 1.00 0.00 WT1 H ATOM 7762 OH2 TIP3 1627 34.715 0.638 -15.796 1.00 0.00 WT1 O ATOM 7763 H1 TIP3 1627 34.231 0.247 -15.069 1.00 0.00 WT1 H ATOM 7764 H2 TIP3 1627 35.611 0.320 -15.688 1.00 0.00 WT1 H ATOM 7765 OH2 TIP3 1628 82.574 52.843 -8.905 1.00 0.00 WT1 O ATOM 7766 H1 TIP3 1628 82.335 53.312 -9.705 1.00 0.00 WT1 H ATOM 7767 H2 TIP3 1628 82.771 51.953 -9.199 1.00 0.00 WT1 H ATOM 7768 OH2 TIP3 1629 81.573 85.032 52.395 1.00 0.00 WT1 O ATOM 7769 H1 TIP3 1629 81.060 85.789 52.680 1.00 0.00 WT1 H ATOM 7770 H2 TIP3 1629 81.084 84.675 51.654 1.00 0.00 WT1 H ATOM 7771 OH2 TIP3 1630 74.764 69.170 49.467 1.00 0.00 WT1 O ATOM 7772 H1 TIP3 1630 75.084 68.505 50.076 1.00 0.00 WT1 H ATOM 7773 H2 TIP3 1630 73.934 68.821 49.143 1.00 0.00 WT1 H ATOM 7774 OH2 TIP3 1632 28.173 59.677 8.007 1.00 0.00 WT1 O ATOM 7775 H1 TIP3 1632 28.711 58.989 8.398 1.00 0.00 WT1 H ATOM 7776 H2 TIP3 1632 28.678 59.976 7.251 1.00 0.00 WT1 H ATOM 7777 OH2 TIP3 1633 73.399 91.447 47.953 1.00 0.00 WT1 O ATOM 7778 H1 TIP3 1633 73.010 90.629 48.261 1.00 0.00 WT1 H ATOM 7779 H2 TIP3 1633 72.699 91.875 47.459 1.00 0.00 WT1 H ATOM 7780 OH2 TIP3 1634 56.140 26.102 36.503 1.00 0.00 WT1 O ATOM 7781 H1 TIP3 1634 56.067 26.574 35.673 1.00 0.00 WT1 H ATOM 7782 H2 TIP3 1634 56.492 26.748 37.115 1.00 0.00 WT1 H ATOM 7783 OH2 TIP3 1635 40.879 41.758 19.484 1.00 0.00 WT1 O ATOM 7784 H1 TIP3 1635 41.407 41.125 19.969 1.00 0.00 WT1 H ATOM 7785 H2 TIP3 1635 41.172 42.611 19.805 1.00 0.00 WT1 H ATOM 7786 OH2 TIP3 1636 46.225 1.381 1.949 1.00 0.00 WT1 O ATOM 7787 H1 TIP3 1636 47.117 1.174 2.228 1.00 0.00 WT1 H ATOM 7788 H2 TIP3 1636 45.714 0.605 2.183 1.00 0.00 WT1 H ATOM 7789 OH2 TIP3 1637 28.456 46.049 40.940 1.00 0.00 WT1 O ATOM 7790 H1 TIP3 1637 28.751 46.272 41.823 1.00 0.00 WT1 H ATOM 7791 H2 TIP3 1637 27.500 46.086 40.990 1.00 0.00 WT1 H ATOM 7792 OH2 TIP3 1638 20.879 24.909 15.454 1.00 0.00 WT1 O ATOM 7793 H1 TIP3 1638 20.219 24.977 14.764 1.00 0.00 WT1 H ATOM 7794 H2 TIP3 1638 20.829 23.998 15.745 1.00 0.00 WT1 H ATOM 7795 OH2 TIP3 1639 50.968 6.743 24.457 1.00 0.00 WT1 O ATOM 7796 H1 TIP3 1639 51.174 6.847 25.386 1.00 0.00 WT1 H ATOM 7797 H2 TIP3 1639 51.073 7.620 24.088 1.00 0.00 WT1 H ATOM 7798 OH2 TIP3 1640 85.154 13.381 -5.237 1.00 0.00 WT1 O ATOM 7799 H1 TIP3 1640 85.821 13.378 -4.550 1.00 0.00 WT1 H ATOM 7800 H2 TIP3 1640 85.644 13.528 -6.046 1.00 0.00 WT1 H ATOM 7801 OH2 TIP3 1641 30.745 3.903 -19.259 1.00 0.00 WT1 O ATOM 7802 H1 TIP3 1641 30.495 3.109 -18.785 1.00 0.00 WT1 H ATOM 7803 H2 TIP3 1641 31.569 4.175 -18.854 1.00 0.00 WT1 H ATOM 7804 OH2 TIP3 1642 34.954 47.300 22.130 1.00 0.00 WT1 O ATOM 7805 H1 TIP3 1642 35.171 47.115 23.043 1.00 0.00 WT1 H ATOM 7806 H2 TIP3 1642 35.685 46.934 21.631 1.00 0.00 WT1 H ATOM 7807 OH2 TIP3 1643 74.863 42.623 58.871 1.00 0.00 WT1 O ATOM 7808 H1 TIP3 1643 75.764 42.642 58.551 1.00 0.00 WT1 H ATOM 7809 H2 TIP3 1643 74.415 43.304 58.369 1.00 0.00 WT1 H ATOM 7810 OH2 TIP3 1645 21.211 0.920 0.532 1.00 0.00 WT1 O ATOM 7811 H1 TIP3 1645 21.768 1.668 0.744 1.00 0.00 WT1 H ATOM 7812 H2 TIP3 1645 20.620 0.841 1.281 1.00 0.00 WT1 H ATOM 7813 OH2 TIP3 1646 55.695 20.112 -5.580 1.00 0.00 WT1 O ATOM 7814 H1 TIP3 1646 56.199 19.447 -6.050 1.00 0.00 WT1 H ATOM 7815 H2 TIP3 1646 56.345 20.764 -5.318 1.00 0.00 WT1 H ATOM 7816 OH2 TIP3 1647 49.321 72.896 64.468 1.00 0.00 WT1 O ATOM 7817 H1 TIP3 1647 50.000 73.417 64.039 1.00 0.00 WT1 H ATOM 7818 H2 TIP3 1647 48.618 72.839 63.820 1.00 0.00 WT1 H ATOM 7819 OH2 TIP3 1648 38.500 91.729 13.244 1.00 0.00 WT1 O ATOM 7820 H1 TIP3 1648 38.938 92.148 12.503 1.00 0.00 WT1 H ATOM 7821 H2 TIP3 1648 38.294 90.847 12.934 1.00 0.00 WT1 H ATOM 7822 OH2 TIP3 1649 42.527 40.217 4.047 1.00 0.00 WT1 O ATOM 7823 H1 TIP3 1649 41.748 40.612 4.440 1.00 0.00 WT1 H ATOM 7824 H2 TIP3 1649 43.227 40.390 4.677 1.00 0.00 WT1 H ATOM 7825 OH2 TIP3 1651 64.284 81.181 64.978 1.00 0.00 WT1 O ATOM 7826 H1 TIP3 1651 64.771 81.045 65.792 1.00 0.00 WT1 H ATOM 7827 H2 TIP3 1651 63.443 80.748 65.126 1.00 0.00 WT1 H ATOM 7828 OH2 TIP3 1652 80.182 87.638 57.720 1.00 0.00 WT1 O ATOM 7829 H1 TIP3 1652 79.735 87.858 58.537 1.00 0.00 WT1 H ATOM 7830 H2 TIP3 1652 80.306 88.479 57.280 1.00 0.00 WT1 H ATOM 7831 OH2 TIP3 1653 36.252 71.746 55.738 1.00 0.00 WT1 O ATOM 7832 H1 TIP3 1653 36.359 72.681 55.563 1.00 0.00 WT1 H ATOM 7833 H2 TIP3 1653 35.848 71.397 54.943 1.00 0.00 WT1 H ATOM 7834 OH2 TIP3 1655 29.016 61.489 41.813 1.00 0.00 WT1 O ATOM 7835 H1 TIP3 1655 29.889 61.312 42.165 1.00 0.00 WT1 H ATOM 7836 H2 TIP3 1655 29.074 62.378 41.465 1.00 0.00 WT1 H ATOM 7837 OH2 TIP3 1656 67.429 35.527 44.295 1.00 0.00 WT1 O ATOM 7838 H1 TIP3 1656 68.289 35.367 43.906 1.00 0.00 WT1 H ATOM 7839 H2 TIP3 1656 67.431 36.460 44.507 1.00 0.00 WT1 H ATOM 7840 OH2 TIP3 1657 57.937 95.673 33.085 1.00 0.00 WT1 O ATOM 7841 H1 TIP3 1657 57.509 95.148 33.761 1.00 0.00 WT1 H ATOM 7842 H2 TIP3 1657 57.380 95.570 32.313 1.00 0.00 WT1 H ATOM 7843 OH2 TIP3 1658 66.107 13.472 41.689 1.00 0.00 WT1 O ATOM 7844 H1 TIP3 1658 65.785 13.271 42.568 1.00 0.00 WT1 H ATOM 7845 H2 TIP3 1658 66.671 12.733 41.465 1.00 0.00 WT1 H ATOM 7846 OH2 TIP3 1659 42.851 53.537 64.924 1.00 0.00 WT1 O ATOM 7847 H1 TIP3 1659 42.151 53.901 64.383 1.00 0.00 WT1 H ATOM 7848 H2 TIP3 1659 43.567 54.167 64.848 1.00 0.00 WT1 H ATOM 7849 OH2 TIP3 1660 59.097 57.406 17.185 1.00 0.00 WT1 O ATOM 7850 H1 TIP3 1660 59.304 57.231 16.267 1.00 0.00 WT1 H ATOM 7851 H2 TIP3 1660 58.156 57.246 17.254 1.00 0.00 WT1 H ATOM 7852 OH2 TIP3 1661 84.139 33.184 27.909 1.00 0.00 WT1 O ATOM 7853 H1 TIP3 1661 83.263 32.836 28.076 1.00 0.00 WT1 H ATOM 7854 H2 TIP3 1661 83.986 33.998 27.430 1.00 0.00 WT1 H ATOM 7855 OH2 TIP3 1663 45.011 55.316 65.589 1.00 0.00 WT1 O ATOM 7856 H1 TIP3 1663 44.310 55.959 65.482 1.00 0.00 WT1 H ATOM 7857 H2 TIP3 1663 45.521 55.639 66.331 1.00 0.00 WT1 H ATOM 7858 OH2 TIP3 1664 88.477 29.780 65.098 1.00 0.00 WT1 O ATOM 7859 H1 TIP3 1664 88.022 29.810 65.940 1.00 0.00 WT1 H ATOM 7860 H2 TIP3 1664 89.383 30.005 65.308 1.00 0.00 WT1 H ATOM 7861 OH2 TIP3 1665 56.483 69.244 22.591 1.00 0.00 WT1 O ATOM 7862 H1 TIP3 1665 56.705 68.806 21.769 1.00 0.00 WT1 H ATOM 7863 H2 TIP3 1665 57.271 69.736 22.821 1.00 0.00 WT1 H ATOM 7864 OH2 TIP3 1666 32.676 42.732 6.929 1.00 0.00 WT1 O ATOM 7865 H1 TIP3 1666 33.205 42.301 6.258 1.00 0.00 WT1 H ATOM 7866 H2 TIP3 1666 33.279 43.341 7.355 1.00 0.00 WT1 H ATOM 7867 OH2 TIP3 1667 26.891 86.921 23.418 1.00 0.00 WT1 O ATOM 7868 H1 TIP3 1667 27.463 87.443 22.855 1.00 0.00 WT1 H ATOM 7869 H2 TIP3 1667 27.102 87.207 24.307 1.00 0.00 WT1 H ATOM 7870 OH2 TIP3 1668 65.764 44.834 50.945 1.00 0.00 WT1 O ATOM 7871 H1 TIP3 1668 65.240 44.157 50.516 1.00 0.00 WT1 H ATOM 7872 H2 TIP3 1668 65.256 45.637 50.833 1.00 0.00 WT1 H ATOM 7873 OH2 TIP3 1669 83.582 80.869 -7.175 1.00 0.00 WT1 O ATOM 7874 H1 TIP3 1669 84.292 81.316 -6.713 1.00 0.00 WT1 H ATOM 7875 H2 TIP3 1669 83.029 80.514 -6.479 1.00 0.00 WT1 H ATOM 7876 OH2 TIP3 1670 38.854 93.798 61.698 1.00 0.00 WT1 O ATOM 7877 H1 TIP3 1670 38.569 93.009 62.159 1.00 0.00 WT1 H ATOM 7878 H2 TIP3 1670 39.420 93.476 60.997 1.00 0.00 WT1 H ATOM 7879 OH2 TIP3 1671 27.289 75.497 15.910 1.00 0.00 WT1 O ATOM 7880 H1 TIP3 1671 27.197 74.786 15.276 1.00 0.00 WT1 H ATOM 7881 H2 TIP3 1671 28.229 75.678 15.932 1.00 0.00 WT1 H ATOM 7882 OH2 TIP3 1672 68.861 41.552 -5.099 1.00 0.00 WT1 O ATOM 7883 H1 TIP3 1672 68.461 41.962 -5.866 1.00 0.00 WT1 H ATOM 7884 H2 TIP3 1672 68.868 42.240 -4.434 1.00 0.00 WT1 H ATOM 7885 OH2 TIP3 1673 89.990 59.618 52.295 1.00 0.00 WT1 O ATOM 7886 H1 TIP3 1673 90.105 58.677 52.426 1.00 0.00 WT1 H ATOM 7887 H2 TIP3 1673 89.392 59.887 52.993 1.00 0.00 WT1 H ATOM 7888 OH2 TIP3 1675 62.367 28.814 39.674 1.00 0.00 WT1 O ATOM 7889 H1 TIP3 1675 61.437 28.966 39.504 1.00 0.00 WT1 H ATOM 7890 H2 TIP3 1675 62.539 27.948 39.306 1.00 0.00 WT1 H ATOM 7891 OH2 TIP3 1676 86.626 79.513 17.866 1.00 0.00 WT1 O ATOM 7892 H1 TIP3 1676 87.307 79.747 18.497 1.00 0.00 WT1 H ATOM 7893 H2 TIP3 1676 86.973 78.744 17.412 1.00 0.00 WT1 H ATOM 7894 OH2 TIP3 1677 55.568 90.501 19.848 1.00 0.00 WT1 O ATOM 7895 H1 TIP3 1677 54.863 89.867 19.977 1.00 0.00 WT1 H ATOM 7896 H2 TIP3 1677 55.322 90.975 19.053 1.00 0.00 WT1 H ATOM 7897 OH2 TIP3 1678 82.238 78.632 11.715 1.00 0.00 WT1 O ATOM 7898 H1 TIP3 1678 82.546 79.053 12.518 1.00 0.00 WT1 H ATOM 7899 H2 TIP3 1678 81.438 78.175 11.976 1.00 0.00 WT1 H ATOM 7900 OH2 TIP3 1679 81.493 40.116 -10.939 1.00 0.00 WT1 O ATOM 7901 H1 TIP3 1679 80.903 39.368 -11.034 1.00 0.00 WT1 H ATOM 7902 H2 TIP3 1679 80.957 40.793 -10.526 1.00 0.00 WT1 H ATOM 7903 OH2 TIP3 1680 33.883 65.166 57.329 1.00 0.00 WT1 O ATOM 7904 H1 TIP3 1680 33.539 64.371 56.920 1.00 0.00 WT1 H ATOM 7905 H2 TIP3 1680 33.159 65.791 57.282 1.00 0.00 WT1 H ATOM 7906 OH2 TIP3 1681 51.338 84.066 41.399 1.00 0.00 WT1 O ATOM 7907 H1 TIP3 1681 51.317 84.257 40.461 1.00 0.00 WT1 H ATOM 7908 H2 TIP3 1681 50.417 84.033 41.658 1.00 0.00 WT1 H ATOM 7909 OH2 TIP3 1682 38.103 15.215 24.115 1.00 0.00 WT1 O ATOM 7910 H1 TIP3 1682 38.605 14.744 23.450 1.00 0.00 WT1 H ATOM 7911 H2 TIP3 1682 37.887 16.053 23.704 1.00 0.00 WT1 H ATOM 7912 OH2 TIP3 1683 42.324 13.820 7.860 1.00 0.00 WT1 O ATOM 7913 H1 TIP3 1683 42.229 14.661 8.307 1.00 0.00 WT1 H ATOM 7914 H2 TIP3 1683 41.567 13.309 8.147 1.00 0.00 WT1 H ATOM 7915 OH2 TIP3 1684 67.361 58.441 1.530 1.00 0.00 WT1 O ATOM 7916 H1 TIP3 1684 67.771 59.037 2.158 1.00 0.00 WT1 H ATOM 7917 H2 TIP3 1684 66.807 57.873 2.065 1.00 0.00 WT1 H ATOM 7918 OH2 TIP3 1685 75.534 67.062 -5.359 1.00 0.00 WT1 O ATOM 7919 H1 TIP3 1685 75.236 67.312 -4.484 1.00 0.00 WT1 H ATOM 7920 H2 TIP3 1685 74.780 67.227 -5.925 1.00 0.00 WT1 H ATOM 7921 OH2 TIP3 1686 52.761 65.938 -8.598 1.00 0.00 WT1 O ATOM 7922 H1 TIP3 1686 53.505 66.354 -8.163 1.00 0.00 WT1 H ATOM 7923 H2 TIP3 1686 52.525 65.209 -8.024 1.00 0.00 WT1 H ATOM 7924 OH2 TIP3 1687 85.029 56.667 -12.050 1.00 0.00 WT1 O ATOM 7925 H1 TIP3 1687 85.736 56.564 -12.687 1.00 0.00 WT1 H ATOM 7926 H2 TIP3 1687 85.065 55.870 -11.521 1.00 0.00 WT1 H ATOM 7927 OH2 TIP3 1688 36.982 71.492 34.926 1.00 0.00 WT1 O ATOM 7928 H1 TIP3 1688 37.368 72.061 34.260 1.00 0.00 WT1 H ATOM 7929 H2 TIP3 1688 37.626 71.478 35.633 1.00 0.00 WT1 H ATOM 7930 OH2 TIP3 1689 74.833 51.367 7.614 1.00 0.00 WT1 O ATOM 7931 H1 TIP3 1689 75.387 50.690 7.226 1.00 0.00 WT1 H ATOM 7932 H2 TIP3 1689 75.445 52.053 7.881 1.00 0.00 WT1 H ATOM 7933 OH2 TIP3 1690 38.725 26.110 24.100 1.00 0.00 WT1 O ATOM 7934 H1 TIP3 1690 38.557 27.035 23.920 1.00 0.00 WT1 H ATOM 7935 H2 TIP3 1690 37.905 25.669 23.877 1.00 0.00 WT1 H ATOM 7936 OH2 TIP3 1691 21.924 65.696 0.432 1.00 0.00 WT1 O ATOM 7937 H1 TIP3 1691 21.813 64.769 0.218 1.00 0.00 WT1 H ATOM 7938 H2 TIP3 1691 22.825 65.895 0.176 1.00 0.00 WT1 H ATOM 7939 OH2 TIP3 1692 66.375 60.389 -19.384 1.00 0.00 WT1 O ATOM 7940 H1 TIP3 1692 65.851 60.744 -20.101 1.00 0.00 WT1 H ATOM 7941 H2 TIP3 1692 65.785 59.786 -18.931 1.00 0.00 WT1 H ATOM 7942 OH2 TIP3 1693 56.620 47.981 -0.550 1.00 0.00 WT1 O ATOM 7943 H1 TIP3 1693 55.968 47.788 0.123 1.00 0.00 WT1 H ATOM 7944 H2 TIP3 1693 56.338 48.816 -0.925 1.00 0.00 WT1 H ATOM 7945 OH2 TIP3 1694 46.203 4.951 5.291 1.00 0.00 WT1 O ATOM 7946 H1 TIP3 1694 45.305 4.800 5.585 1.00 0.00 WT1 H ATOM 7947 H2 TIP3 1694 46.748 4.628 6.008 1.00 0.00 WT1 H ATOM 7948 OH2 TIP3 1696 85.757 44.645 34.272 1.00 0.00 WT1 O ATOM 7949 H1 TIP3 1696 85.000 44.343 34.773 1.00 0.00 WT1 H ATOM 7950 H2 TIP3 1696 85.483 44.575 33.357 1.00 0.00 WT1 H ATOM 7951 OH2 TIP3 1697 52.391 37.229 54.166 1.00 0.00 WT1 O ATOM 7952 H1 TIP3 1697 51.612 36.702 53.987 1.00 0.00 WT1 H ATOM 7953 H2 TIP3 1697 52.457 37.243 55.121 1.00 0.00 WT1 H ATOM 7954 OH2 TIP3 1698 80.459 57.856 0.194 1.00 0.00 WT1 O ATOM 7955 H1 TIP3 1698 79.529 57.702 0.358 1.00 0.00 WT1 H ATOM 7956 H2 TIP3 1698 80.797 58.189 1.026 1.00 0.00 WT1 H ATOM 7957 OH2 TIP3 1700 58.808 38.136 -15.996 1.00 0.00 WT1 O ATOM 7958 H1 TIP3 1700 59.332 38.846 -15.623 1.00 0.00 WT1 H ATOM 7959 H2 TIP3 1700 57.964 38.540 -16.197 1.00 0.00 WT1 H ATOM 7960 OH2 TIP3 1701 64.271 30.470 12.644 1.00 0.00 WT1 O ATOM 7961 H1 TIP3 1701 64.811 30.841 11.946 1.00 0.00 WT1 H ATOM 7962 H2 TIP3 1701 63.433 30.925 12.566 1.00 0.00 WT1 H ATOM 7963 OH2 TIP3 1702 23.735 15.575 44.956 1.00 0.00 WT1 O ATOM 7964 H1 TIP3 1702 23.714 15.639 44.001 1.00 0.00 WT1 H ATOM 7965 H2 TIP3 1702 22.949 15.076 45.180 1.00 0.00 WT1 H ATOM 7966 OH2 TIP3 1703 90.470 67.345 44.278 1.00 0.00 WT1 O ATOM 7967 H1 TIP3 1703 89.954 66.941 43.581 1.00 0.00 WT1 H ATOM 7968 H2 TIP3 1703 90.955 66.618 44.670 1.00 0.00 WT1 H ATOM 7969 OH2 TIP3 1704 27.762 50.773 -19.853 1.00 0.00 WT1 O ATOM 7970 H1 TIP3 1704 28.015 50.337 -19.040 1.00 0.00 WT1 H ATOM 7971 H2 TIP3 1704 27.893 51.705 -19.677 1.00 0.00 WT1 H ATOM 7972 OH2 TIP3 1706 60.573 46.094 57.219 1.00 0.00 WT1 O ATOM 7973 H1 TIP3 1706 61.413 46.466 56.949 1.00 0.00 WT1 H ATOM 7974 H2 TIP3 1706 60.112 46.821 57.637 1.00 0.00 WT1 H ATOM 7975 OH2 TIP3 1707 79.993 81.159 12.394 1.00 0.00 WT1 O ATOM 7976 H1 TIP3 1707 80.918 80.918 12.351 1.00 0.00 WT1 H ATOM 7977 H2 TIP3 1707 79.562 80.390 12.769 1.00 0.00 WT1 H ATOM 7978 OH2 TIP3 1708 48.445 61.324 2.619 1.00 0.00 WT1 O ATOM 7979 H1 TIP3 1708 48.479 62.259 2.821 1.00 0.00 WT1 H ATOM 7980 H2 TIP3 1708 49.306 60.992 2.871 1.00 0.00 WT1 H ATOM 7981 OH2 TIP3 1710 23.915 54.516 38.939 1.00 0.00 WT1 O ATOM 7982 H1 TIP3 1710 24.373 53.942 38.325 1.00 0.00 WT1 H ATOM 7983 H2 TIP3 1710 24.097 55.401 38.622 1.00 0.00 WT1 H ATOM 7984 OH2 TIP3 1711 26.786 46.149 45.354 1.00 0.00 WT1 O ATOM 7985 H1 TIP3 1711 26.631 45.332 45.828 1.00 0.00 WT1 H ATOM 7986 H2 TIP3 1711 26.192 46.779 45.761 1.00 0.00 WT1 H ATOM 7987 OH2 TIP3 1713 85.268 44.993 61.262 1.00 0.00 WT1 O ATOM 7988 H1 TIP3 1713 84.410 45.416 61.246 1.00 0.00 WT1 H ATOM 7989 H2 TIP3 1713 85.182 44.300 61.916 1.00 0.00 WT1 H ATOM 7990 OH2 TIP3 1714 67.453 11.419 63.543 1.00 0.00 WT1 O ATOM 7991 H1 TIP3 1714 66.605 11.059 63.806 1.00 0.00 WT1 H ATOM 7992 H2 TIP3 1714 68.093 10.781 63.860 1.00 0.00 WT1 H ATOM 7993 OH2 TIP3 1715 49.919 70.356 -5.165 1.00 0.00 WT1 O ATOM 7994 H1 TIP3 1715 50.014 70.522 -4.227 1.00 0.00 WT1 H ATOM 7995 H2 TIP3 1715 49.671 71.203 -5.535 1.00 0.00 WT1 H ATOM 7996 OH2 TIP3 1716 34.013 3.278 15.497 1.00 0.00 WT1 O ATOM 7997 H1 TIP3 1716 33.389 2.832 16.071 1.00 0.00 WT1 H ATOM 7998 H2 TIP3 1716 34.738 3.519 16.073 1.00 0.00 WT1 H ATOM 7999 OH2 TIP3 1717 21.617 55.075 44.779 1.00 0.00 WT1 O ATOM 8000 H1 TIP3 1717 21.157 54.713 45.536 1.00 0.00 WT1 H ATOM 8001 H2 TIP3 1717 21.675 54.346 44.162 1.00 0.00 WT1 H ATOM 8002 OH2 TIP3 1718 26.704 9.056 58.922 1.00 0.00 WT1 O ATOM 8003 H1 TIP3 1718 27.486 9.491 58.582 1.00 0.00 WT1 H ATOM 8004 H2 TIP3 1718 26.088 9.063 58.190 1.00 0.00 WT1 H ATOM 8005 OH2 TIP3 1719 42.548 53.031 38.106 1.00 0.00 WT1 O ATOM 8006 H1 TIP3 1719 42.157 53.388 37.308 1.00 0.00 WT1 H ATOM 8007 H2 TIP3 1719 43.430 52.768 37.844 1.00 0.00 WT1 H ATOM 8008 OH2 TIP3 1720 62.039 45.630 45.519 1.00 0.00 WT1 O ATOM 8009 H1 TIP3 1720 62.843 45.602 45.000 1.00 0.00 WT1 H ATOM 8010 H2 TIP3 1720 61.511 46.314 45.107 1.00 0.00 WT1 H ATOM 8011 OH2 TIP3 1721 88.471 83.523 1.244 1.00 0.00 WT1 O ATOM 8012 H1 TIP3 1721 88.720 83.441 2.165 1.00 0.00 WT1 H ATOM 8013 H2 TIP3 1721 88.754 82.701 0.845 1.00 0.00 WT1 H ATOM 8014 OH2 TIP3 1722 77.696 70.258 50.813 1.00 0.00 WT1 O ATOM 8015 H1 TIP3 1722 77.509 69.363 50.531 1.00 0.00 WT1 H ATOM 8016 H2 TIP3 1722 77.158 70.807 50.242 1.00 0.00 WT1 H ATOM 8017 OH2 TIP3 1723 35.612 88.329 55.860 1.00 0.00 WT1 O ATOM 8018 H1 TIP3 1723 35.230 89.002 55.297 1.00 0.00 WT1 H ATOM 8019 H2 TIP3 1723 36.550 88.362 55.671 1.00 0.00 WT1 H ATOM 8020 OH2 TIP3 1724 34.866 2.425 32.684 1.00 0.00 WT1 O ATOM 8021 H1 TIP3 1724 34.932 2.082 33.575 1.00 0.00 WT1 H ATOM 8022 H2 TIP3 1724 33.999 2.829 32.646 1.00 0.00 WT1 H ATOM 8023 OH2 TIP3 1725 70.890 3.719 57.049 1.00 0.00 WT1 O ATOM 8024 H1 TIP3 1725 70.348 3.334 57.738 1.00 0.00 WT1 H ATOM 8025 H2 TIP3 1725 71.719 3.245 57.103 1.00 0.00 WT1 H ATOM 8026 OH2 TIP3 1726 34.920 55.900 2.223 1.00 0.00 WT1 O ATOM 8027 H1 TIP3 1726 35.199 55.380 1.469 1.00 0.00 WT1 H ATOM 8028 H2 TIP3 1726 35.731 56.263 2.578 1.00 0.00 WT1 H ATOM 8029 OH2 TIP3 1727 66.969 94.894 46.747 1.00 0.00 WT1 O ATOM 8030 H1 TIP3 1727 66.661 95.365 47.521 1.00 0.00 WT1 H ATOM 8031 H2 TIP3 1727 67.642 94.300 47.079 1.00 0.00 WT1 H ATOM 8032 OH2 TIP3 1728 69.762 89.451 38.504 1.00 0.00 WT1 O ATOM 8033 H1 TIP3 1728 69.624 89.525 37.559 1.00 0.00 WT1 H ATOM 8034 H2 TIP3 1728 68.967 89.030 38.830 1.00 0.00 WT1 H ATOM 8035 OH2 TIP3 1729 42.509 24.996 -17.255 1.00 0.00 WT1 O ATOM 8036 H1 TIP3 1729 41.650 24.586 -17.149 1.00 0.00 WT1 H ATOM 8037 H2 TIP3 1729 42.904 24.538 -17.997 1.00 0.00 WT1 H ATOM 8038 OH2 TIP3 1730 50.386 50.909 1.154 1.00 0.00 WT1 O ATOM 8039 H1 TIP3 1730 50.179 51.183 2.048 1.00 0.00 WT1 H ATOM 8040 H2 TIP3 1730 51.340 50.963 1.102 1.00 0.00 WT1 H ATOM 8041 OH2 TIP3 1731 58.414 84.011 8.072 1.00 0.00 WT1 O ATOM 8042 H1 TIP3 1731 59.179 83.853 8.626 1.00 0.00 WT1 H ATOM 8043 H2 TIP3 1731 58.646 83.625 7.227 1.00 0.00 WT1 H ATOM 8044 OH2 TIP3 1732 65.006 94.108 41.229 1.00 0.00 WT1 O ATOM 8045 H1 TIP3 1732 65.182 94.758 40.549 1.00 0.00 WT1 H ATOM 8046 H2 TIP3 1732 64.720 93.330 40.749 1.00 0.00 WT1 H ATOM 8047 OH2 TIP3 1733 38.493 5.102 38.184 1.00 0.00 WT1 O ATOM 8048 H1 TIP3 1733 39.228 5.711 38.115 1.00 0.00 WT1 H ATOM 8049 H2 TIP3 1733 37.719 5.665 38.230 1.00 0.00 WT1 H ATOM 8050 OH2 TIP3 1734 51.999 82.054 34.268 1.00 0.00 WT1 O ATOM 8051 H1 TIP3 1734 51.771 81.125 34.287 1.00 0.00 WT1 H ATOM 8052 H2 TIP3 1734 51.327 82.477 34.802 1.00 0.00 WT1 H ATOM 8053 OH2 TIP3 1735 77.093 25.714 -7.956 1.00 0.00 WT1 O ATOM 8054 H1 TIP3 1735 76.780 26.583 -8.204 1.00 0.00 WT1 H ATOM 8055 H2 TIP3 1735 76.363 25.128 -8.158 1.00 0.00 WT1 H ATOM 8056 OH2 TIP3 1736 88.723 88.893 44.077 1.00 0.00 WT1 O ATOM 8057 H1 TIP3 1736 88.616 89.439 44.855 1.00 0.00 WT1 H ATOM 8058 H2 TIP3 1736 89.255 88.153 44.373 1.00 0.00 WT1 H ATOM 8059 OH2 TIP3 1737 26.272 49.671 35.866 1.00 0.00 WT1 O ATOM 8060 H1 TIP3 1737 25.606 49.222 35.346 1.00 0.00 WT1 H ATOM 8061 H2 TIP3 1737 26.892 50.011 35.220 1.00 0.00 WT1 H ATOM 8062 OH2 TIP3 1738 70.053 41.668 55.743 1.00 0.00 WT1 O ATOM 8063 H1 TIP3 1738 69.645 40.986 55.209 1.00 0.00 WT1 H ATOM 8064 H2 TIP3 1738 69.606 42.474 55.485 1.00 0.00 WT1 H ATOM 8065 OH2 TIP3 1739 90.571 93.532 9.013 1.00 0.00 WT1 O ATOM 8066 H1 TIP3 1739 89.696 93.767 9.321 1.00 0.00 WT1 H ATOM 8067 H2 TIP3 1739 90.919 94.342 8.639 1.00 0.00 WT1 H ATOM 8068 OH2 TIP3 1741 65.608 15.324 11.428 1.00 0.00 WT1 O ATOM 8069 H1 TIP3 1741 65.460 14.392 11.269 1.00 0.00 WT1 H ATOM 8070 H2 TIP3 1741 64.836 15.609 11.917 1.00 0.00 WT1 H ATOM 8071 OH2 TIP3 1742 30.124 52.189 38.477 1.00 0.00 WT1 O ATOM 8072 H1 TIP3 1742 29.180 52.299 38.593 1.00 0.00 WT1 H ATOM 8073 H2 TIP3 1742 30.501 53.015 38.779 1.00 0.00 WT1 H ATOM 8074 OH2 TIP3 1743 41.505 43.063 31.546 1.00 0.00 WT1 O ATOM 8075 H1 TIP3 1743 42.451 43.209 31.537 1.00 0.00 WT1 H ATOM 8076 H2 TIP3 1743 41.248 43.100 30.625 1.00 0.00 WT1 H ATOM 8077 OH2 TIP3 1744 55.765 79.642 61.631 1.00 0.00 WT1 O ATOM 8078 H1 TIP3 1744 55.915 78.799 62.059 1.00 0.00 WT1 H ATOM 8079 H2 TIP3 1744 56.616 80.080 61.660 1.00 0.00 WT1 H ATOM 8080 OH2 TIP3 1745 85.103 37.492 60.785 1.00 0.00 WT1 O ATOM 8081 H1 TIP3 1745 85.663 38.127 61.232 1.00 0.00 WT1 H ATOM 8082 H2 TIP3 1745 85.467 37.430 59.902 1.00 0.00 WT1 H ATOM 8083 OH2 TIP3 1746 76.286 73.787 43.158 1.00 0.00 WT1 O ATOM 8084 H1 TIP3 1746 76.770 74.537 42.812 1.00 0.00 WT1 H ATOM 8085 H2 TIP3 1746 76.386 73.108 42.491 1.00 0.00 WT1 H ATOM 8086 OH2 TIP3 1747 87.900 57.100 63.110 1.00 0.00 WT1 O ATOM 8087 H1 TIP3 1747 88.760 57.246 62.715 1.00 0.00 WT1 H ATOM 8088 H2 TIP3 1747 87.357 56.776 62.390 1.00 0.00 WT1 H ATOM 8089 OH2 TIP3 1748 60.369 25.792 54.640 1.00 0.00 WT1 O ATOM 8090 H1 TIP3 1748 59.524 26.215 54.795 1.00 0.00 WT1 H ATOM 8091 H2 TIP3 1748 60.342 25.532 53.719 1.00 0.00 WT1 H ATOM 8092 OH2 TIP3 1749 72.869 5.006 -10.344 1.00 0.00 WT1 O ATOM 8093 H1 TIP3 1749 73.143 4.105 -10.169 1.00 0.00 WT1 H ATOM 8094 H2 TIP3 1749 73.648 5.532 -10.162 1.00 0.00 WT1 H ATOM 8095 OH2 TIP3 1750 79.580 39.601 32.733 1.00 0.00 WT1 O ATOM 8096 H1 TIP3 1750 79.000 39.974 32.069 1.00 0.00 WT1 H ATOM 8097 H2 TIP3 1750 79.096 38.851 33.080 1.00 0.00 WT1 H ATOM 8098 OH2 TIP3 1751 87.772 46.545 -18.538 1.00 0.00 WT1 O ATOM 8099 H1 TIP3 1751 87.047 46.957 -19.008 1.00 0.00 WT1 H ATOM 8100 H2 TIP3 1751 87.349 46.027 -17.853 1.00 0.00 WT1 H ATOM 8101 OH2 TIP3 1752 37.890 66.108 -7.523 1.00 0.00 WT1 O ATOM 8102 H1 TIP3 1752 38.190 66.302 -6.635 1.00 0.00 WT1 H ATOM 8103 H2 TIP3 1752 37.900 65.152 -7.577 1.00 0.00 WT1 H ATOM 8104 OH2 TIP3 1753 63.042 61.010 50.863 1.00 0.00 WT1 O ATOM 8105 H1 TIP3 1753 63.579 61.743 50.561 1.00 0.00 WT1 H ATOM 8106 H2 TIP3 1753 62.573 60.718 50.082 1.00 0.00 WT1 H ATOM 8107 OH2 TIP3 1754 65.190 92.596 13.194 1.00 0.00 WT1 O ATOM 8108 H1 TIP3 1754 65.965 92.340 13.695 1.00 0.00 WT1 H ATOM 8109 H2 TIP3 1754 64.451 92.319 13.735 1.00 0.00 WT1 H ATOM 8110 OH2 TIP3 1755 20.845 94.023 37.404 1.00 0.00 WT1 O ATOM 8111 H1 TIP3 1755 20.213 93.306 37.349 1.00 0.00 WT1 H ATOM 8112 H2 TIP3 1755 20.315 94.794 37.604 1.00 0.00 WT1 H ATOM 8113 OH2 TIP3 1756 70.701 82.049 -7.026 1.00 0.00 WT1 O ATOM 8114 H1 TIP3 1756 70.574 81.146 -6.735 1.00 0.00 WT1 H ATOM 8115 H2 TIP3 1756 71.196 82.462 -6.318 1.00 0.00 WT1 H ATOM 8116 OH2 TIP3 1757 83.622 43.016 -8.367 1.00 0.00 WT1 O ATOM 8117 H1 TIP3 1757 84.230 42.279 -8.302 1.00 0.00 WT1 H ATOM 8118 H2 TIP3 1757 83.910 43.625 -7.688 1.00 0.00 WT1 H ATOM 8119 OH2 TIP3 1758 86.134 28.194 -1.215 1.00 0.00 WT1 O ATOM 8120 H1 TIP3 1758 86.271 29.018 -0.749 1.00 0.00 WT1 H ATOM 8121 H2 TIP3 1758 86.907 27.669 -1.009 1.00 0.00 WT1 H ATOM 8122 OH2 TIP3 1759 82.804 77.129 39.820 1.00 0.00 WT1 O ATOM 8123 H1 TIP3 1759 82.355 76.293 39.946 1.00 0.00 WT1 H ATOM 8124 H2 TIP3 1759 83.631 77.031 40.292 1.00 0.00 WT1 H ATOM 8125 OH2 TIP3 1760 51.824 9.370 23.296 1.00 0.00 WT1 O ATOM 8126 H1 TIP3 1760 51.256 9.699 22.599 1.00 0.00 WT1 H ATOM 8127 H2 TIP3 1760 52.640 9.141 22.851 1.00 0.00 WT1 H ATOM 8128 OH2 TIP3 1761 73.589 29.886 59.377 1.00 0.00 WT1 O ATOM 8129 H1 TIP3 1761 73.696 28.935 59.387 1.00 0.00 WT1 H ATOM 8130 H2 TIP3 1761 73.001 30.053 58.641 1.00 0.00 WT1 H ATOM 8131 OH2 TIP3 1762 28.132 22.274 1.562 1.00 0.00 WT1 O ATOM 8132 H1 TIP3 1762 28.879 22.290 0.964 1.00 0.00 WT1 H ATOM 8133 H2 TIP3 1762 28.496 22.534 2.408 1.00 0.00 WT1 H ATOM 8134 OH2 TIP3 1763 75.785 90.226 62.996 1.00 0.00 WT1 O ATOM 8135 H1 TIP3 1763 75.051 90.748 63.321 1.00 0.00 WT1 H ATOM 8136 H2 TIP3 1763 75.809 90.404 62.055 1.00 0.00 WT1 H ATOM 8137 OH2 TIP3 1764 31.512 18.588 2.179 1.00 0.00 WT1 O ATOM 8138 H1 TIP3 1764 31.644 18.503 3.123 1.00 0.00 WT1 H ATOM 8139 H2 TIP3 1764 32.319 18.994 1.860 1.00 0.00 WT1 H ATOM 8140 OH2 TIP3 1765 77.733 6.609 43.497 1.00 0.00 WT1 O ATOM 8141 H1 TIP3 1765 78.176 5.909 43.018 1.00 0.00 WT1 H ATOM 8142 H2 TIP3 1765 78.386 7.306 43.563 1.00 0.00 WT1 H ATOM 8143 OH2 TIP3 1766 69.027 5.905 15.001 1.00 0.00 WT1 O ATOM 8144 H1 TIP3 1766 68.805 4.974 14.983 1.00 0.00 WT1 H ATOM 8145 H2 TIP3 1766 69.981 5.926 14.923 1.00 0.00 WT1 H ATOM 8146 OH2 TIP3 1767 38.340 72.931 -17.790 1.00 0.00 WT1 O ATOM 8147 H1 TIP3 1767 38.543 73.859 -17.908 1.00 0.00 WT1 H ATOM 8148 H2 TIP3 1767 37.541 72.925 -17.264 1.00 0.00 WT1 H ATOM 8149 OH2 TIP3 1768 88.715 13.299 -13.133 1.00 0.00 WT1 O ATOM 8150 H1 TIP3 1768 89.289 13.708 -12.486 1.00 0.00 WT1 H ATOM 8151 H2 TIP3 1768 89.307 12.812 -13.707 1.00 0.00 WT1 H ATOM 8152 OH2 TIP3 1769 39.273 57.023 35.428 1.00 0.00 WT1 O ATOM 8153 H1 TIP3 1769 40.001 56.708 34.892 1.00 0.00 WT1 H ATOM 8154 H2 TIP3 1769 39.665 57.208 36.281 1.00 0.00 WT1 H ATOM 8155 OH2 TIP3 1770 84.040 59.205 -13.397 1.00 0.00 WT1 O ATOM 8156 H1 TIP3 1770 83.180 59.077 -12.996 1.00 0.00 WT1 H ATOM 8157 H2 TIP3 1770 84.144 58.456 -13.985 1.00 0.00 WT1 H ATOM 8158 OH2 TIP3 1771 40.810 95.334 35.431 1.00 0.00 WT1 O ATOM 8159 H1 TIP3 1771 40.267 95.451 36.211 1.00 0.00 WT1 H ATOM 8160 H2 TIP3 1771 41.671 95.666 35.686 1.00 0.00 WT1 H ATOM 8161 OH2 TIP3 1772 57.844 77.670 45.328 1.00 0.00 WT1 O ATOM 8162 H1 TIP3 1772 57.537 77.121 46.050 1.00 0.00 WT1 H ATOM 8163 H2 TIP3 1772 57.179 78.354 45.248 1.00 0.00 WT1 H ATOM 8164 OH2 TIP3 1773 52.291 49.943 46.351 1.00 0.00 WT1 O ATOM 8165 H1 TIP3 1773 52.746 50.073 45.519 1.00 0.00 WT1 H ATOM 8166 H2 TIP3 1773 52.783 49.248 46.788 1.00 0.00 WT1 H ATOM 8167 OH2 TIP3 1774 52.627 47.132 -5.989 1.00 0.00 WT1 O ATOM 8168 H1 TIP3 1774 52.032 47.796 -5.639 1.00 0.00 WT1 H ATOM 8169 H2 TIP3 1774 52.217 46.298 -5.760 1.00 0.00 WT1 H ATOM 8170 OH2 TIP3 1775 49.556 63.203 54.129 1.00 0.00 WT1 O ATOM 8171 H1 TIP3 1775 48.861 62.563 53.979 1.00 0.00 WT1 H ATOM 8172 H2 TIP3 1775 49.787 63.516 53.254 1.00 0.00 WT1 H ATOM 8173 OH2 TIP3 1776 86.458 88.774 4.311 1.00 0.00 WT1 O ATOM 8174 H1 TIP3 1776 86.915 87.940 4.201 1.00 0.00 WT1 H ATOM 8175 H2 TIP3 1776 86.912 89.201 5.038 1.00 0.00 WT1 H ATOM 8176 OH2 TIP3 1777 32.230 51.928 34.083 1.00 0.00 WT1 O ATOM 8177 H1 TIP3 1777 31.376 52.261 33.805 1.00 0.00 WT1 H ATOM 8178 H2 TIP3 1777 32.116 51.722 35.011 1.00 0.00 WT1 H ATOM 8179 OH2 TIP3 1778 27.472 19.484 16.848 1.00 0.00 WT1 O ATOM 8180 H1 TIP3 1778 27.854 18.723 16.411 1.00 0.00 WT1 H ATOM 8181 H2 TIP3 1778 27.412 20.150 16.163 1.00 0.00 WT1 H ATOM 8182 OH2 TIP3 1779 68.806 37.425 62.801 1.00 0.00 WT1 O ATOM 8183 H1 TIP3 1779 68.285 37.052 63.513 1.00 0.00 WT1 H ATOM 8184 H2 TIP3 1779 69.245 38.179 63.195 1.00 0.00 WT1 H ATOM 8185 OH2 TIP3 1781 62.266 20.166 -1.196 1.00 0.00 WT1 O ATOM 8186 H1 TIP3 1781 62.028 19.240 -1.250 1.00 0.00 WT1 H ATOM 8187 H2 TIP3 1781 61.504 20.587 -0.798 1.00 0.00 WT1 H ATOM 8188 OH2 TIP3 1782 59.295 78.302 64.152 1.00 0.00 WT1 O ATOM 8189 H1 TIP3 1782 58.942 77.524 63.720 1.00 0.00 WT1 H ATOM 8190 H2 TIP3 1782 60.143 78.022 64.496 1.00 0.00 WT1 H ATOM 8191 OH2 TIP3 1783 57.701 72.416 57.141 1.00 0.00 WT1 O ATOM 8192 H1 TIP3 1783 56.979 72.272 57.752 1.00 0.00 WT1 H ATOM 8193 H2 TIP3 1783 58.352 71.757 57.379 1.00 0.00 WT1 H ATOM 8194 OH2 TIP3 1784 49.795 32.233 -8.909 1.00 0.00 WT1 O ATOM 8195 H1 TIP3 1784 49.836 32.444 -7.976 1.00 0.00 WT1 H ATOM 8196 H2 TIP3 1784 48.889 31.961 -9.055 1.00 0.00 WT1 H ATOM 8197 OH2 TIP3 1785 55.679 29.650 40.143 1.00 0.00 WT1 O ATOM 8198 H1 TIP3 1785 55.689 30.016 39.258 1.00 0.00 WT1 H ATOM 8199 H2 TIP3 1785 54.820 29.888 40.491 1.00 0.00 WT1 H ATOM 8200 OH2 TIP3 1786 35.102 91.146 38.721 1.00 0.00 WT1 O ATOM 8201 H1 TIP3 1786 34.319 90.762 38.325 1.00 0.00 WT1 H ATOM 8202 H2 TIP3 1786 35.717 90.416 38.792 1.00 0.00 WT1 H ATOM 8203 OH2 TIP3 1787 43.248 55.816 18.654 1.00 0.00 WT1 O ATOM 8204 H1 TIP3 1787 42.593 56.481 18.440 1.00 0.00 WT1 H ATOM 8205 H2 TIP3 1787 43.890 55.875 17.946 1.00 0.00 WT1 H ATOM 8206 OH2 TIP3 1788 41.569 30.881 34.858 1.00 0.00 WT1 O ATOM 8207 H1 TIP3 1788 41.649 30.110 34.298 1.00 0.00 WT1 H ATOM 8208 H2 TIP3 1788 42.255 31.474 34.550 1.00 0.00 WT1 H ATOM 8209 OH2 TIP3 1789 61.981 6.366 59.194 1.00 0.00 WT1 O ATOM 8210 H1 TIP3 1789 62.373 6.309 58.322 1.00 0.00 WT1 H ATOM 8211 H2 TIP3 1789 61.562 5.516 59.325 1.00 0.00 WT1 H ATOM 8212 OH2 TIP3 1790 69.529 14.474 -4.780 1.00 0.00 WT1 O ATOM 8213 H1 TIP3 1790 69.348 14.046 -3.943 1.00 0.00 WT1 H ATOM 8214 H2 TIP3 1790 69.104 15.329 -4.708 1.00 0.00 WT1 H ATOM 8215 OH2 TIP3 1791 74.773 48.760 -5.831 1.00 0.00 WT1 O ATOM 8216 H1 TIP3 1791 74.869 47.988 -5.273 1.00 0.00 WT1 H ATOM 8217 H2 TIP3 1791 73.925 48.644 -6.259 1.00 0.00 WT1 H ATOM 8218 OH2 TIP3 1792 52.213 80.813 -1.719 1.00 0.00 WT1 O ATOM 8219 H1 TIP3 1792 52.922 81.152 -2.267 1.00 0.00 WT1 H ATOM 8220 H2 TIP3 1792 52.455 81.070 -0.829 1.00 0.00 WT1 H ATOM 8221 OH2 TIP3 1793 46.656 47.969 -4.015 1.00 0.00 WT1 O ATOM 8222 H1 TIP3 1793 45.722 47.952 -3.805 1.00 0.00 WT1 H ATOM 8223 H2 TIP3 1793 47.089 48.101 -3.171 1.00 0.00 WT1 H ATOM 8224 OH2 TIP3 1794 58.060 67.380 58.505 1.00 0.00 WT1 O ATOM 8225 H1 TIP3 1794 57.197 67.212 58.126 1.00 0.00 WT1 H ATOM 8226 H2 TIP3 1794 58.104 66.801 59.266 1.00 0.00 WT1 H ATOM 8227 OH2 TIP3 1795 31.205 23.075 60.504 1.00 0.00 WT1 O ATOM 8228 H1 TIP3 1795 31.202 23.464 61.379 1.00 0.00 WT1 H ATOM 8229 H2 TIP3 1795 32.094 23.219 60.180 1.00 0.00 WT1 H ATOM 8230 OH2 TIP3 1796 28.869 34.432 10.035 1.00 0.00 WT1 O ATOM 8231 H1 TIP3 1796 28.025 34.714 9.683 1.00 0.00 WT1 H ATOM 8232 H2 TIP3 1796 29.506 34.692 9.369 1.00 0.00 WT1 H ATOM 8233 OH2 TIP3 1797 47.537 16.857 19.304 1.00 0.00 WT1 O ATOM 8234 H1 TIP3 1797 48.068 17.613 19.553 1.00 0.00 WT1 H ATOM 8235 H2 TIP3 1797 47.344 16.995 18.376 1.00 0.00 WT1 H ATOM 8236 OH2 TIP3 1798 30.710 17.431 -0.428 1.00 0.00 WT1 O ATOM 8237 H1 TIP3 1798 30.471 18.220 0.059 1.00 0.00 WT1 H ATOM 8238 H2 TIP3 1798 31.316 17.739 -1.101 1.00 0.00 WT1 H ATOM 8239 OH2 TIP3 1799 43.809 26.486 35.611 1.00 0.00 WT1 O ATOM 8240 H1 TIP3 1799 44.743 26.544 35.814 1.00 0.00 WT1 H ATOM 8241 H2 TIP3 1799 43.727 25.693 35.082 1.00 0.00 WT1 H ATOM 8242 OH2 TIP3 1800 87.284 94.618 64.142 1.00 0.00 WT1 O ATOM 8243 H1 TIP3 1800 87.966 94.649 64.812 1.00 0.00 WT1 H ATOM 8244 H2 TIP3 1800 86.586 95.178 64.484 1.00 0.00 WT1 H ATOM 8245 OH2 TIP3 1801 22.139 66.944 22.129 1.00 0.00 WT1 O ATOM 8246 H1 TIP3 1801 21.881 66.188 21.600 1.00 0.00 WT1 H ATOM 8247 H2 TIP3 1801 22.107 66.627 23.032 1.00 0.00 WT1 H ATOM 8248 OH2 TIP3 1802 74.704 73.682 15.103 1.00 0.00 WT1 O ATOM 8249 H1 TIP3 1802 74.273 72.953 14.658 1.00 0.00 WT1 H ATOM 8250 H2 TIP3 1802 73.994 74.145 15.547 1.00 0.00 WT1 H ATOM 8251 OH2 TIP3 1803 85.557 73.233 23.151 1.00 0.00 WT1 O ATOM 8252 H1 TIP3 1803 84.607 73.123 23.187 1.00 0.00 WT1 H ATOM 8253 H2 TIP3 1803 85.853 72.567 22.531 1.00 0.00 WT1 H ATOM 8254 OH2 TIP3 1804 65.638 35.177 39.662 1.00 0.00 WT1 O ATOM 8255 H1 TIP3 1804 65.231 34.491 39.133 1.00 0.00 WT1 H ATOM 8256 H2 TIP3 1804 65.384 35.994 39.232 1.00 0.00 WT1 H ATOM 8257 OH2 TIP3 1805 41.945 19.847 41.121 1.00 0.00 WT1 O ATOM 8258 H1 TIP3 1805 41.312 19.206 41.444 1.00 0.00 WT1 H ATOM 8259 H2 TIP3 1805 41.475 20.327 40.439 1.00 0.00 WT1 H ATOM 8260 OH2 TIP3 1807 65.078 66.961 57.568 1.00 0.00 WT1 O ATOM 8261 H1 TIP3 1807 64.731 67.286 58.399 1.00 0.00 WT1 H ATOM 8262 H2 TIP3 1807 64.791 66.049 57.528 1.00 0.00 WT1 H ATOM 8263 OH2 TIP3 1808 84.961 12.531 53.204 1.00 0.00 WT1 O ATOM 8264 H1 TIP3 1808 85.391 12.815 54.010 1.00 0.00 WT1 H ATOM 8265 H2 TIP3 1808 85.643 12.591 52.534 1.00 0.00 WT1 H ATOM 8266 OH2 TIP3 1809 84.023 37.828 -5.715 1.00 0.00 WT1 O ATOM 8267 H1 TIP3 1809 84.801 38.342 -5.502 1.00 0.00 WT1 H ATOM 8268 H2 TIP3 1809 83.384 38.071 -5.044 1.00 0.00 WT1 H ATOM 8269 OH2 TIP3 1810 78.141 33.803 -2.951 1.00 0.00 WT1 O ATOM 8270 H1 TIP3 1810 78.392 33.399 -2.121 1.00 0.00 WT1 H ATOM 8271 H2 TIP3 1810 78.950 34.191 -3.284 1.00 0.00 WT1 H ATOM 8272 OH2 TIP3 1811 33.043 7.059 -15.355 1.00 0.00 WT1 O ATOM 8273 H1 TIP3 1811 33.574 7.855 -15.372 1.00 0.00 WT1 H ATOM 8274 H2 TIP3 1811 32.327 7.236 -15.966 1.00 0.00 WT1 H ATOM 8275 OH2 TIP3 1812 47.999 77.790 -15.856 1.00 0.00 WT1 O ATOM 8276 H1 TIP3 1812 47.197 77.814 -16.377 1.00 0.00 WT1 H ATOM 8277 H2 TIP3 1812 48.654 77.409 -16.440 1.00 0.00 WT1 H ATOM 8278 OH2 TIP3 1813 57.269 20.034 1.305 1.00 0.00 WT1 O ATOM 8279 H1 TIP3 1813 57.028 20.745 0.710 1.00 0.00 WT1 H ATOM 8280 H2 TIP3 1813 56.551 19.996 1.936 1.00 0.00 WT1 H ATOM 8281 OH2 TIP3 1814 86.835 36.322 34.340 1.00 0.00 WT1 O ATOM 8282 H1 TIP3 1814 86.494 36.242 33.449 1.00 0.00 WT1 H ATOM 8283 H2 TIP3 1814 86.666 35.469 34.739 1.00 0.00 WT1 H ATOM 8284 OH2 TIP3 1815 31.192 58.996 37.083 1.00 0.00 WT1 O ATOM 8285 H1 TIP3 1815 30.419 59.194 37.612 1.00 0.00 WT1 H ATOM 8286 H2 TIP3 1815 31.504 59.851 36.786 1.00 0.00 WT1 H ATOM 8287 OH2 TIP3 1816 52.864 83.504 57.118 1.00 0.00 WT1 O ATOM 8288 H1 TIP3 1816 52.412 83.108 57.862 1.00 0.00 WT1 H ATOM 8289 H2 TIP3 1816 52.233 83.456 56.400 1.00 0.00 WT1 H ATOM 8290 OH2 TIP3 1817 82.376 81.841 17.263 1.00 0.00 WT1 O ATOM 8291 H1 TIP3 1817 82.764 81.371 18.001 1.00 0.00 WT1 H ATOM 8292 H2 TIP3 1817 81.433 81.708 17.363 1.00 0.00 WT1 H ATOM 8293 OH2 TIP3 1818 21.781 22.740 -14.390 1.00 0.00 WT1 O ATOM 8294 H1 TIP3 1818 21.572 23.070 -13.516 1.00 0.00 WT1 H ATOM 8295 H2 TIP3 1818 21.090 23.090 -14.951 1.00 0.00 WT1 H ATOM 8296 OH2 TIP3 1819 45.221 26.705 -1.732 1.00 0.00 WT1 O ATOM 8297 H1 TIP3 1819 46.004 26.156 -1.778 1.00 0.00 WT1 H ATOM 8298 H2 TIP3 1819 45.414 27.340 -1.041 1.00 0.00 WT1 H ATOM 8299 OH2 TIP3 1820 71.835 87.652 49.650 1.00 0.00 WT1 O ATOM 8300 H1 TIP3 1820 72.759 87.727 49.886 1.00 0.00 WT1 H ATOM 8301 H2 TIP3 1820 71.607 86.746 49.858 1.00 0.00 WT1 H ATOM 8302 OH2 TIP3 1821 45.093 1.985 61.867 1.00 0.00 WT1 O ATOM 8303 H1 TIP3 1821 45.136 1.522 61.030 1.00 0.00 WT1 H ATOM 8304 H2 TIP3 1821 45.895 1.730 62.323 1.00 0.00 WT1 H ATOM 8305 OH2 TIP3 1823 80.789 93.091 -4.514 1.00 0.00 WT1 O ATOM 8306 H1 TIP3 1823 79.870 92.958 -4.282 1.00 0.00 WT1 H ATOM 8307 H2 TIP3 1823 81.139 92.207 -4.624 1.00 0.00 WT1 H ATOM 8308 OH2 TIP3 1824 74.558 13.685 46.112 1.00 0.00 WT1 O ATOM 8309 H1 TIP3 1824 73.792 14.048 45.667 1.00 0.00 WT1 H ATOM 8310 H2 TIP3 1824 75.157 13.450 45.403 1.00 0.00 WT1 H ATOM 8311 OH2 TIP3 1825 38.712 15.151 26.682 1.00 0.00 WT1 O ATOM 8312 H1 TIP3 1825 38.588 15.411 25.769 1.00 0.00 WT1 H ATOM 8313 H2 TIP3 1825 39.235 15.856 27.064 1.00 0.00 WT1 H ATOM 8314 OH2 TIP3 1826 54.576 72.940 -0.308 1.00 0.00 WT1 O ATOM 8315 H1 TIP3 1826 55.497 73.055 -0.543 1.00 0.00 WT1 H ATOM 8316 H2 TIP3 1826 54.590 72.314 0.416 1.00 0.00 WT1 H ATOM 8317 OH2 TIP3 1827 61.986 95.071 -17.671 1.00 0.00 WT1 O ATOM 8318 H1 TIP3 1827 61.837 95.981 -17.414 1.00 0.00 WT1 H ATOM 8319 H2 TIP3 1827 61.192 94.823 -18.145 1.00 0.00 WT1 H ATOM 8320 OH2 TIP3 1828 62.737 34.945 46.829 1.00 0.00 WT1 O ATOM 8321 H1 TIP3 1828 62.375 34.239 46.294 1.00 0.00 WT1 H ATOM 8322 H2 TIP3 1828 63.465 35.289 46.312 1.00 0.00 WT1 H ATOM 8323 OH2 TIP3 1829 26.190 68.604 30.619 1.00 0.00 WT1 O ATOM 8324 H1 TIP3 1829 26.099 68.984 31.493 1.00 0.00 WT1 H ATOM 8325 H2 TIP3 1829 25.356 68.790 30.188 1.00 0.00 WT1 H ATOM 8326 OH2 TIP3 1830 82.521 21.729 61.589 1.00 0.00 WT1 O ATOM 8327 H1 TIP3 1830 82.934 22.395 61.039 1.00 0.00 WT1 H ATOM 8328 H2 TIP3 1830 83.238 21.372 62.113 1.00 0.00 WT1 H ATOM 8329 OH2 TIP3 1831 68.512 63.411 62.133 1.00 0.00 WT1 O ATOM 8330 H1 TIP3 1831 68.850 63.767 62.955 1.00 0.00 WT1 H ATOM 8331 H2 TIP3 1831 67.860 62.764 62.402 1.00 0.00 WT1 H ATOM 8332 OH2 TIP3 1832 62.912 92.909 62.668 1.00 0.00 WT1 O ATOM 8333 H1 TIP3 1832 63.227 92.543 63.494 1.00 0.00 WT1 H ATOM 8334 H2 TIP3 1832 63.249 92.316 61.997 1.00 0.00 WT1 H ATOM 8335 OH2 TIP3 1833 30.753 68.360 33.420 1.00 0.00 WT1 O ATOM 8336 H1 TIP3 1833 31.289 68.388 32.628 1.00 0.00 WT1 H ATOM 8337 H2 TIP3 1833 31.035 67.565 33.873 1.00 0.00 WT1 H ATOM 8338 OH2 TIP3 1834 43.730 37.483 17.499 1.00 0.00 WT1 O ATOM 8339 H1 TIP3 1834 44.551 37.357 17.975 1.00 0.00 WT1 H ATOM 8340 H2 TIP3 1834 43.246 36.669 17.635 1.00 0.00 WT1 H ATOM 8341 OH2 TIP3 1835 67.131 17.701 62.025 1.00 0.00 WT1 O ATOM 8342 H1 TIP3 1835 67.268 16.952 61.446 1.00 0.00 WT1 H ATOM 8343 H2 TIP3 1835 67.923 17.737 62.562 1.00 0.00 WT1 H ATOM 8344 OH2 TIP3 1836 88.928 2.369 -0.480 1.00 0.00 WT1 O ATOM 8345 H1 TIP3 1836 88.459 2.795 0.238 1.00 0.00 WT1 H ATOM 8346 H2 TIP3 1836 89.782 2.147 -0.110 1.00 0.00 WT1 H ATOM 8347 OH2 TIP3 1837 32.100 25.229 41.555 1.00 0.00 WT1 O ATOM 8348 H1 TIP3 1837 31.748 24.741 40.810 1.00 0.00 WT1 H ATOM 8349 H2 TIP3 1837 32.962 24.844 41.709 1.00 0.00 WT1 H ATOM 8350 OH2 TIP3 1838 47.046 26.845 61.538 1.00 0.00 WT1 O ATOM 8351 H1 TIP3 1838 46.140 26.945 61.245 1.00 0.00 WT1 H ATOM 8352 H2 TIP3 1838 47.507 27.589 61.150 1.00 0.00 WT1 H ATOM 8353 OH2 TIP3 1839 20.655 3.854 -6.724 1.00 0.00 WT1 O ATOM 8354 H1 TIP3 1839 21.517 4.212 -6.938 1.00 0.00 WT1 H ATOM 8355 H2 TIP3 1839 20.342 3.475 -7.545 1.00 0.00 WT1 H ATOM 8356 OH2 TIP3 1841 52.232 93.947 33.729 1.00 0.00 WT1 O ATOM 8357 H1 TIP3 1841 51.918 93.049 33.619 1.00 0.00 WT1 H ATOM 8358 H2 TIP3 1841 51.912 94.409 32.954 1.00 0.00 WT1 H ATOM 8359 OH2 TIP3 1842 89.752 1.385 18.169 1.00 0.00 WT1 O ATOM 8360 H1 TIP3 1842 88.903 1.685 18.495 1.00 0.00 WT1 H ATOM 8361 H2 TIP3 1842 89.536 0.771 17.468 1.00 0.00 WT1 H ATOM 8362 OH2 TIP3 1843 37.238 52.107 50.621 1.00 0.00 WT1 O ATOM 8363 H1 TIP3 1843 37.218 53.042 50.419 1.00 0.00 WT1 H ATOM 8364 H2 TIP3 1843 36.763 52.029 51.448 1.00 0.00 WT1 H ATOM 8365 OH2 TIP3 1844 41.134 28.938 51.156 1.00 0.00 WT1 O ATOM 8366 H1 TIP3 1844 41.959 28.545 50.868 1.00 0.00 WT1 H ATOM 8367 H2 TIP3 1844 41.328 29.294 52.023 1.00 0.00 WT1 H ATOM 8368 OH2 TIP3 1845 83.848 65.954 17.865 1.00 0.00 WT1 O ATOM 8369 H1 TIP3 1845 84.092 66.845 18.117 1.00 0.00 WT1 H ATOM 8370 H2 TIP3 1845 83.348 65.622 18.611 1.00 0.00 WT1 H ATOM 8371 OH2 TIP3 1846 80.828 26.581 47.873 1.00 0.00 WT1 O ATOM 8372 H1 TIP3 1846 80.002 26.109 47.973 1.00 0.00 WT1 H ATOM 8373 H2 TIP3 1846 80.731 27.062 47.051 1.00 0.00 WT1 H ATOM 8374 OH2 TIP3 1847 56.952 19.414 29.777 1.00 0.00 WT1 O ATOM 8375 H1 TIP3 1847 57.817 19.650 30.113 1.00 0.00 WT1 H ATOM 8376 H2 TIP3 1847 57.121 19.082 28.894 1.00 0.00 WT1 H ATOM 8377 OH2 TIP3 1848 75.690 74.371 12.338 1.00 0.00 WT1 O ATOM 8378 H1 TIP3 1848 74.945 74.024 11.847 1.00 0.00 WT1 H ATOM 8379 H2 TIP3 1848 75.510 74.133 13.247 1.00 0.00 WT1 H ATOM 8380 OH2 TIP3 1850 32.949 85.632 34.399 1.00 0.00 WT1 O ATOM 8381 H1 TIP3 1850 32.736 86.523 34.122 1.00 0.00 WT1 H ATOM 8382 H2 TIP3 1850 32.303 85.082 33.956 1.00 0.00 WT1 H ATOM 8383 OH2 TIP3 1851 39.002 0.708 51.628 1.00 0.00 WT1 O ATOM 8384 H1 TIP3 1851 39.525 0.418 52.375 1.00 0.00 WT1 H ATOM 8385 H2 TIP3 1851 39.076 1.662 51.639 1.00 0.00 WT1 H ATOM 8386 OH2 TIP3 1852 42.355 40.318 0.469 1.00 0.00 WT1 O ATOM 8387 H1 TIP3 1852 42.980 40.079 1.153 1.00 0.00 WT1 H ATOM 8388 H2 TIP3 1852 42.062 39.481 0.110 1.00 0.00 WT1 H ATOM 8389 OH2 TIP3 1853 60.879 32.200 -2.485 1.00 0.00 WT1 O ATOM 8390 H1 TIP3 1853 61.322 31.433 -2.120 1.00 0.00 WT1 H ATOM 8391 H2 TIP3 1853 61.532 32.898 -2.440 1.00 0.00 WT1 H ATOM 8392 OH2 TIP3 1854 76.613 57.448 -4.763 1.00 0.00 WT1 O ATOM 8393 H1 TIP3 1854 76.606 56.754 -4.104 1.00 0.00 WT1 H ATOM 8394 H2 TIP3 1854 77.244 57.150 -5.419 1.00 0.00 WT1 H ATOM 8395 OH2 TIP3 1855 43.873 64.987 -6.269 1.00 0.00 WT1 O ATOM 8396 H1 TIP3 1855 44.083 64.255 -5.689 1.00 0.00 WT1 H ATOM 8397 H2 TIP3 1855 43.477 65.642 -5.695 1.00 0.00 WT1 H ATOM 8398 OH2 TIP3 1856 27.628 51.848 31.132 1.00 0.00 WT1 O ATOM 8399 H1 TIP3 1856 28.382 51.297 30.923 1.00 0.00 WT1 H ATOM 8400 H2 TIP3 1856 28.000 52.601 31.591 1.00 0.00 WT1 H ATOM 8401 OH2 TIP3 1858 60.443 90.921 62.500 1.00 0.00 WT1 O ATOM 8402 H1 TIP3 1858 61.039 90.934 63.249 1.00 0.00 WT1 H ATOM 8403 H2 TIP3 1858 61.004 90.726 61.750 1.00 0.00 WT1 H ATOM 8404 OH2 TIP3 1859 59.747 95.206 54.423 1.00 0.00 WT1 O ATOM 8405 H1 TIP3 1859 60.094 96.085 54.579 1.00 0.00 WT1 H ATOM 8406 H2 TIP3 1859 60.443 94.754 53.947 1.00 0.00 WT1 H ATOM 8407 OH2 TIP3 1860 43.942 53.631 1.131 1.00 0.00 WT1 O ATOM 8408 H1 TIP3 1860 43.489 54.038 1.869 1.00 0.00 WT1 H ATOM 8409 H2 TIP3 1860 44.840 53.958 1.191 1.00 0.00 WT1 H ATOM 8410 OH2 TIP3 1861 90.719 49.887 3.646 1.00 0.00 WT1 O ATOM 8411 H1 TIP3 1861 89.780 49.820 3.476 1.00 0.00 WT1 H ATOM 8412 H2 TIP3 1861 91.117 49.943 2.777 1.00 0.00 WT1 H ATOM 8413 OH2 TIP3 1862 89.021 63.060 -14.529 1.00 0.00 WT1 O ATOM 8414 H1 TIP3 1862 88.118 62.787 -14.367 1.00 0.00 WT1 H ATOM 8415 H2 TIP3 1862 88.940 63.884 -15.009 1.00 0.00 WT1 H ATOM 8416 OH2 TIP3 1863 53.413 4.171 62.454 1.00 0.00 WT1 O ATOM 8417 H1 TIP3 1863 54.363 4.246 62.361 1.00 0.00 WT1 H ATOM 8418 H2 TIP3 1863 53.203 3.309 62.093 1.00 0.00 WT1 H ATOM 8419 OH2 TIP3 1864 65.548 20.488 56.104 1.00 0.00 WT1 O ATOM 8420 H1 TIP3 1864 65.472 21.020 56.897 1.00 0.00 WT1 H ATOM 8421 H2 TIP3 1864 65.718 19.603 56.425 1.00 0.00 WT1 H ATOM 8422 OH2 TIP3 1866 37.973 34.041 23.968 1.00 0.00 WT1 O ATOM 8423 H1 TIP3 1866 37.835 34.087 23.022 1.00 0.00 WT1 H ATOM 8424 H2 TIP3 1866 38.789 34.518 24.115 1.00 0.00 WT1 H ATOM 8425 OH2 TIP3 1867 27.997 77.544 48.436 1.00 0.00 WT1 O ATOM 8426 H1 TIP3 1867 28.689 76.917 48.645 1.00 0.00 WT1 H ATOM 8427 H2 TIP3 1867 27.374 77.046 47.907 1.00 0.00 WT1 H ATOM 8428 OH2 TIP3 1868 76.983 9.281 61.258 1.00 0.00 WT1 O ATOM 8429 H1 TIP3 1868 77.429 9.699 60.521 1.00 0.00 WT1 H ATOM 8430 H2 TIP3 1868 76.313 8.731 60.852 1.00 0.00 WT1 H ATOM 8431 OH2 TIP3 1869 26.688 58.054 9.990 1.00 0.00 WT1 O ATOM 8432 H1 TIP3 1869 27.042 58.344 10.831 1.00 0.00 WT1 H ATOM 8433 H2 TIP3 1869 26.767 58.819 9.420 1.00 0.00 WT1 H ATOM 8434 OH2 TIP3 1870 57.541 96.402 -14.860 1.00 0.00 WT1 O ATOM 8435 H1 TIP3 1870 56.602 96.396 -15.046 1.00 0.00 WT1 H ATOM 8436 H2 TIP3 1870 57.781 95.477 -14.802 1.00 0.00 WT1 H ATOM 8437 OH2 TIP3 1871 51.768 91.213 29.298 1.00 0.00 WT1 O ATOM 8438 H1 TIP3 1871 51.787 91.985 28.732 1.00 0.00 WT1 H ATOM 8439 H2 TIP3 1871 50.840 91.075 29.484 1.00 0.00 WT1 H ATOM 8440 OH2 TIP3 1872 79.458 82.314 47.660 1.00 0.00 WT1 O ATOM 8441 H1 TIP3 1872 79.233 81.684 48.345 1.00 0.00 WT1 H ATOM 8442 H2 TIP3 1872 80.276 81.982 47.289 1.00 0.00 WT1 H ATOM 8443 OH2 TIP3 1873 86.824 77.515 -17.393 1.00 0.00 WT1 O ATOM 8444 H1 TIP3 1873 87.003 76.799 -18.002 1.00 0.00 WT1 H ATOM 8445 H2 TIP3 1873 86.189 77.152 -16.776 1.00 0.00 WT1 H ATOM 8446 OH2 TIP3 1874 44.323 85.267 -12.666 1.00 0.00 WT1 O ATOM 8447 H1 TIP3 1874 43.796 84.845 -11.988 1.00 0.00 WT1 H ATOM 8448 H2 TIP3 1874 45.030 85.699 -12.187 1.00 0.00 WT1 H ATOM 8449 OH2 TIP3 1875 83.004 0.463 53.702 1.00 0.00 WT1 O ATOM 8450 H1 TIP3 1875 83.333 1.356 53.807 1.00 0.00 WT1 H ATOM 8451 H2 TIP3 1875 82.092 0.509 53.990 1.00 0.00 WT1 H ATOM 8452 OH2 TIP3 1876 43.357 85.994 11.640 1.00 0.00 WT1 O ATOM 8453 H1 TIP3 1876 44.056 85.818 11.010 1.00 0.00 WT1 H ATOM 8454 H2 TIP3 1876 43.256 85.173 12.122 1.00 0.00 WT1 H ATOM 8455 OH2 TIP3 1877 40.427 29.193 27.522 1.00 0.00 WT1 O ATOM 8456 H1 TIP3 1877 39.716 29.683 27.109 1.00 0.00 WT1 H ATOM 8457 H2 TIP3 1877 40.469 29.536 28.414 1.00 0.00 WT1 H ATOM 8458 OH2 TIP3 1878 45.433 73.839 -1.941 1.00 0.00 WT1 O ATOM 8459 H1 TIP3 1878 44.720 73.987 -1.321 1.00 0.00 WT1 H ATOM 8460 H2 TIP3 1878 46.131 73.448 -1.415 1.00 0.00 WT1 H ATOM 8461 OH2 TIP3 1879 73.127 88.283 53.664 1.00 0.00 WT1 O ATOM 8462 H1 TIP3 1879 73.626 87.690 53.102 1.00 0.00 WT1 H ATOM 8463 H2 TIP3 1879 73.759 88.952 53.927 1.00 0.00 WT1 H ATOM 8464 OH2 TIP3 1880 60.413 30.287 65.029 1.00 0.00 WT1 O ATOM 8465 H1 TIP3 1880 60.293 30.987 65.671 1.00 0.00 WT1 H ATOM 8466 H2 TIP3 1880 59.606 30.294 64.514 1.00 0.00 WT1 H ATOM 8467 OH2 TIP3 1881 23.208 40.278 57.166 1.00 0.00 WT1 O ATOM 8468 H1 TIP3 1881 23.438 40.826 56.416 1.00 0.00 WT1 H ATOM 8469 H2 TIP3 1881 22.363 39.894 56.933 1.00 0.00 WT1 H ATOM 8470 OH2 TIP3 1882 64.635 18.492 -11.784 1.00 0.00 WT1 O ATOM 8471 H1 TIP3 1882 64.184 19.010 -12.450 1.00 0.00 WT1 H ATOM 8472 H2 TIP3 1882 65.152 19.130 -11.292 1.00 0.00 WT1 H ATOM 8473 OH2 TIP3 1883 76.758 28.418 5.592 1.00 0.00 WT1 O ATOM 8474 H1 TIP3 1883 76.152 27.689 5.722 1.00 0.00 WT1 H ATOM 8475 H2 TIP3 1883 77.581 28.118 5.978 1.00 0.00 WT1 H ATOM 8476 OH2 TIP3 1884 26.617 68.616 4.681 1.00 0.00 WT1 O ATOM 8477 H1 TIP3 1884 27.140 69.416 4.641 1.00 0.00 WT1 H ATOM 8478 H2 TIP3 1884 27.247 67.928 4.897 1.00 0.00 WT1 H ATOM 8479 OH2 TIP3 1885 55.534 2.935 16.268 1.00 0.00 WT1 O ATOM 8480 H1 TIP3 1885 54.792 3.529 16.158 1.00 0.00 WT1 H ATOM 8481 H2 TIP3 1885 55.394 2.531 17.124 1.00 0.00 WT1 H ATOM 8482 OH2 TIP3 1886 34.296 19.696 26.088 1.00 0.00 WT1 O ATOM 8483 H1 TIP3 1886 34.348 20.647 25.988 1.00 0.00 WT1 H ATOM 8484 H2 TIP3 1886 34.251 19.362 25.192 1.00 0.00 WT1 H ATOM 8485 OH2 TIP3 1887 22.708 5.178 56.457 1.00 0.00 WT1 O ATOM 8486 H1 TIP3 1887 23.655 5.209 56.594 1.00 0.00 WT1 H ATOM 8487 H2 TIP3 1887 22.496 4.244 56.458 1.00 0.00 WT1 H ATOM 8488 OH2 TIP3 1888 78.565 35.402 16.862 1.00 0.00 WT1 O ATOM 8489 H1 TIP3 1888 78.395 36.231 17.309 1.00 0.00 WT1 H ATOM 8490 H2 TIP3 1888 77.988 34.773 17.296 1.00 0.00 WT1 H ATOM 8491 OH2 TIP3 1889 84.166 96.324 49.220 1.00 0.00 WT1 O ATOM 8492 H1 TIP3 1889 83.438 95.745 49.448 1.00 0.00 WT1 H ATOM 8493 H2 TIP3 1889 84.558 96.559 50.062 1.00 0.00 WT1 H ATOM 8494 OH2 TIP3 1890 73.006 93.477 41.461 1.00 0.00 WT1 O ATOM 8495 H1 TIP3 1890 72.282 93.836 41.974 1.00 0.00 WT1 H ATOM 8496 H2 TIP3 1890 72.911 93.881 40.598 1.00 0.00 WT1 H ATOM 8497 OH2 TIP3 1891 54.340 36.799 -6.306 1.00 0.00 WT1 O ATOM 8498 H1 TIP3 1891 54.799 36.379 -7.034 1.00 0.00 WT1 H ATOM 8499 H2 TIP3 1891 55.038 37.092 -5.720 1.00 0.00 WT1 H ATOM 8500 OH2 TIP3 1892 39.971 25.173 62.338 1.00 0.00 WT1 O ATOM 8501 H1 TIP3 1892 39.223 25.769 62.356 1.00 0.00 WT1 H ATOM 8502 H2 TIP3 1892 39.998 24.795 63.217 1.00 0.00 WT1 H ATOM 8503 OH2 TIP3 1893 32.889 23.748 66.087 1.00 0.00 WT1 O ATOM 8504 H1 TIP3 1893 32.545 23.263 65.337 1.00 0.00 WT1 H ATOM 8505 H2 TIP3 1893 33.117 23.072 66.726 1.00 0.00 WT1 H ATOM 8506 OH2 TIP3 1894 58.440 21.215 -17.464 1.00 0.00 WT1 O ATOM 8507 H1 TIP3 1894 58.811 20.333 -17.496 1.00 0.00 WT1 H ATOM 8508 H2 TIP3 1894 58.673 21.542 -16.595 1.00 0.00 WT1 H ATOM 8509 OH2 TIP3 1895 83.447 23.836 -14.678 1.00 0.00 WT1 O ATOM 8510 H1 TIP3 1895 84.012 23.251 -15.182 1.00 0.00 WT1 H ATOM 8511 H2 TIP3 1895 82.801 24.150 -15.311 1.00 0.00 WT1 H ATOM 8512 OH2 TIP3 1896 50.577 82.169 13.492 1.00 0.00 WT1 O ATOM 8513 H1 TIP3 1896 50.807 81.636 12.731 1.00 0.00 WT1 H ATOM 8514 H2 TIP3 1896 49.941 81.639 13.972 1.00 0.00 WT1 H ATOM 8515 OH2 TIP3 1897 52.612 87.784 -9.660 1.00 0.00 WT1 O ATOM 8516 H1 TIP3 1897 52.863 87.010 -9.156 1.00 0.00 WT1 H ATOM 8517 H2 TIP3 1897 52.140 87.435 -10.416 1.00 0.00 WT1 H ATOM 8518 OH2 TIP3 1898 36.862 28.201 29.274 1.00 0.00 WT1 O ATOM 8519 H1 TIP3 1898 36.806 27.355 28.830 1.00 0.00 WT1 H ATOM 8520 H2 TIP3 1898 37.534 28.077 29.943 1.00 0.00 WT1 H ATOM 8521 OH2 TIP3 1899 77.700 74.218 21.836 1.00 0.00 WT1 O ATOM 8522 H1 TIP3 1899 77.579 74.194 20.887 1.00 0.00 WT1 H ATOM 8523 H2 TIP3 1899 78.129 73.388 22.045 1.00 0.00 WT1 H ATOM 8524 OH2 TIP3 1900 43.586 2.763 10.719 1.00 0.00 WT1 O ATOM 8525 H1 TIP3 1900 43.561 1.839 10.968 1.00 0.00 WT1 H ATOM 8526 H2 TIP3 1900 43.251 2.780 9.823 1.00 0.00 WT1 H ATOM 8527 OH2 TIP3 1901 30.294 26.670 27.697 1.00 0.00 WT1 O ATOM 8528 H1 TIP3 1901 30.007 26.046 27.031 1.00 0.00 WT1 H ATOM 8529 H2 TIP3 1901 31.247 26.695 27.609 1.00 0.00 WT1 H ATOM 8530 OH2 TIP3 1902 37.948 32.867 -12.265 1.00 0.00 WT1 O ATOM 8531 H1 TIP3 1902 38.523 32.634 -12.994 1.00 0.00 WT1 H ATOM 8532 H2 TIP3 1902 37.102 32.481 -12.494 1.00 0.00 WT1 H ATOM 8533 OH2 TIP3 1903 46.998 78.948 31.008 1.00 0.00 WT1 O ATOM 8534 H1 TIP3 1903 47.499 78.558 30.292 1.00 0.00 WT1 H ATOM 8535 H2 TIP3 1903 46.438 78.238 31.324 1.00 0.00 WT1 H ATOM 8536 OH2 TIP3 1904 67.146 87.673 38.618 1.00 0.00 WT1 O ATOM 8537 H1 TIP3 1904 66.951 87.594 39.552 1.00 0.00 WT1 H ATOM 8538 H2 TIP3 1904 67.169 86.770 38.300 1.00 0.00 WT1 H ATOM 8539 OH2 TIP3 1905 61.976 69.267 -7.559 1.00 0.00 WT1 O ATOM 8540 H1 TIP3 1905 61.518 69.573 -6.777 1.00 0.00 WT1 H ATOM 8541 H2 TIP3 1905 62.267 70.067 -7.996 1.00 0.00 WT1 H ATOM 8542 OH2 TIP3 1906 64.255 73.567 21.740 1.00 0.00 WT1 O ATOM 8543 H1 TIP3 1906 63.312 73.402 21.711 1.00 0.00 WT1 H ATOM 8544 H2 TIP3 1906 64.428 73.808 22.650 1.00 0.00 WT1 H ATOM 8545 OH2 TIP3 1907 37.570 14.296 42.686 1.00 0.00 WT1 O ATOM 8546 H1 TIP3 1907 37.983 13.816 41.968 1.00 0.00 WT1 H ATOM 8547 H2 TIP3 1907 37.281 15.118 42.290 1.00 0.00 WT1 H ATOM 8548 OH2 TIP3 1908 45.032 19.939 29.431 1.00 0.00 WT1 O ATOM 8549 H1 TIP3 1908 44.270 19.401 29.646 1.00 0.00 WT1 H ATOM 8550 H2 TIP3 1908 45.581 19.372 28.889 1.00 0.00 WT1 H ATOM 8551 OH2 TIP3 1909 74.763 95.373 58.033 1.00 0.00 WT1 O ATOM 8552 H1 TIP3 1909 73.880 95.703 57.867 1.00 0.00 WT1 H ATOM 8553 H2 TIP3 1909 75.248 95.571 57.232 1.00 0.00 WT1 H ATOM 8554 OH2 TIP3 1910 80.723 65.098 37.409 1.00 0.00 WT1 O ATOM 8555 H1 TIP3 1910 81.496 65.633 37.590 1.00 0.00 WT1 H ATOM 8556 H2 TIP3 1910 80.231 65.101 38.230 1.00 0.00 WT1 H ATOM 8557 OH2 TIP3 1911 34.372 24.325 21.057 1.00 0.00 WT1 O ATOM 8558 H1 TIP3 1911 34.670 24.339 21.967 1.00 0.00 WT1 H ATOM 8559 H2 TIP3 1911 34.908 23.651 20.639 1.00 0.00 WT1 H ATOM 8560 OH2 TIP3 1912 60.338 53.343 61.854 1.00 0.00 WT1 O ATOM 8561 H1 TIP3 1912 59.383 53.402 61.854 1.00 0.00 WT1 H ATOM 8562 H2 TIP3 1912 60.567 53.136 62.760 1.00 0.00 WT1 H ATOM 8563 OH2 TIP3 1913 66.919 32.812 53.395 1.00 0.00 WT1 O ATOM 8564 H1 TIP3 1913 66.781 33.646 52.947 1.00 0.00 WT1 H ATOM 8565 H2 TIP3 1913 66.063 32.593 53.762 1.00 0.00 WT1 H ATOM 8566 OH2 TIP3 1914 79.790 84.879 11.428 1.00 0.00 WT1 O ATOM 8567 H1 TIP3 1914 80.099 85.474 10.744 1.00 0.00 WT1 H ATOM 8568 H2 TIP3 1914 80.553 84.743 11.989 1.00 0.00 WT1 H ATOM 8569 OH2 TIP3 1915 41.605 75.030 25.419 1.00 0.00 WT1 O ATOM 8570 H1 TIP3 1915 41.452 74.090 25.318 1.00 0.00 WT1 H ATOM 8571 H2 TIP3 1915 42.556 75.126 25.354 1.00 0.00 WT1 H ATOM 8572 OH2 TIP3 1916 89.099 58.274 47.669 1.00 0.00 WT1 O ATOM 8573 H1 TIP3 1916 89.987 57.924 47.608 1.00 0.00 WT1 H ATOM 8574 H2 TIP3 1916 89.058 58.674 48.538 1.00 0.00 WT1 H ATOM 8575 OH2 TIP3 1917 23.082 79.190 -12.196 1.00 0.00 WT1 O ATOM 8576 H1 TIP3 1917 23.744 78.504 -12.114 1.00 0.00 WT1 H ATOM 8577 H2 TIP3 1917 22.288 78.803 -11.830 1.00 0.00 WT1 H ATOM 8578 OH2 TIP3 1918 24.561 19.426 53.096 1.00 0.00 WT1 O ATOM 8579 H1 TIP3 1918 24.809 18.591 53.494 1.00 0.00 WT1 H ATOM 8580 H2 TIP3 1918 25.302 19.654 52.534 1.00 0.00 WT1 H ATOM 8581 OH2 TIP3 1919 36.724 41.709 14.584 1.00 0.00 WT1 O ATOM 8582 H1 TIP3 1919 37.456 42.096 14.103 1.00 0.00 WT1 H ATOM 8583 H2 TIP3 1919 37.086 41.500 15.445 1.00 0.00 WT1 H ATOM 8584 OH2 TIP3 1920 76.043 48.063 34.718 1.00 0.00 WT1 O ATOM 8585 H1 TIP3 1920 75.582 48.431 33.964 1.00 0.00 WT1 H ATOM 8586 H2 TIP3 1920 75.740 48.583 35.462 1.00 0.00 WT1 H ATOM 8587 OH2 TIP3 1921 23.708 51.039 4.816 1.00 0.00 WT1 O ATOM 8588 H1 TIP3 1921 23.037 51.322 5.437 1.00 0.00 WT1 H ATOM 8589 H2 TIP3 1921 23.356 51.277 3.958 1.00 0.00 WT1 H ATOM 8590 OH2 TIP3 1922 89.050 67.802 26.569 1.00 0.00 WT1 O ATOM 8591 H1 TIP3 1922 89.880 68.265 26.686 1.00 0.00 WT1 H ATOM 8592 H2 TIP3 1922 89.102 67.434 25.687 1.00 0.00 WT1 H ATOM 8593 OH2 TIP3 1923 66.987 29.044 -11.578 1.00 0.00 WT1 O ATOM 8594 H1 TIP3 1923 67.098 29.489 -10.738 1.00 0.00 WT1 H ATOM 8595 H2 TIP3 1923 67.190 29.713 -12.232 1.00 0.00 WT1 H ATOM 8596 OH2 TIP3 1924 44.384 40.222 9.367 1.00 0.00 WT1 O ATOM 8597 H1 TIP3 1924 45.172 39.778 9.682 1.00 0.00 WT1 H ATOM 8598 H2 TIP3 1924 43.751 40.120 10.078 1.00 0.00 WT1 H ATOM 8599 OH2 TIP3 1925 84.343 67.196 56.662 1.00 0.00 WT1 O ATOM 8600 H1 TIP3 1925 84.145 66.586 55.952 1.00 0.00 WT1 H ATOM 8601 H2 TIP3 1925 84.435 66.641 57.437 1.00 0.00 WT1 H ATOM 8602 OH2 TIP3 1926 84.174 89.595 11.599 1.00 0.00 WT1 O ATOM 8603 H1 TIP3 1926 84.204 89.493 12.550 1.00 0.00 WT1 H ATOM 8604 H2 TIP3 1926 85.092 89.643 11.333 1.00 0.00 WT1 H ATOM 8605 OH2 TIP3 1927 49.095 40.651 56.042 1.00 0.00 WT1 O ATOM 8606 H1 TIP3 1927 48.532 41.422 56.111 1.00 0.00 WT1 H ATOM 8607 H2 TIP3 1927 49.977 41.006 55.936 1.00 0.00 WT1 H ATOM 8608 OH2 TIP3 1928 48.063 8.211 -16.832 1.00 0.00 WT1 O ATOM 8609 H1 TIP3 1928 48.106 9.091 -17.206 1.00 0.00 WT1 H ATOM 8610 H2 TIP3 1928 47.596 8.324 -16.004 1.00 0.00 WT1 H ATOM 8611 OH2 TIP3 1929 37.435 41.546 0.668 1.00 0.00 WT1 O ATOM 8612 H1 TIP3 1929 36.924 41.842 -0.085 1.00 0.00 WT1 H ATOM 8613 H2 TIP3 1929 38.292 41.955 0.553 1.00 0.00 WT1 H ATOM 8614 OH2 TIP3 1930 60.400 13.591 46.192 1.00 0.00 WT1 O ATOM 8615 H1 TIP3 1930 60.056 13.807 45.325 1.00 0.00 WT1 H ATOM 8616 H2 TIP3 1930 61.341 13.478 46.056 1.00 0.00 WT1 H ATOM 8617 OH2 TIP3 1931 42.389 39.531 11.594 1.00 0.00 WT1 O ATOM 8618 H1 TIP3 1931 42.478 38.632 11.908 1.00 0.00 WT1 H ATOM 8619 H2 TIP3 1931 42.812 40.064 12.267 1.00 0.00 WT1 H ATOM 8620 OH2 TIP3 1932 37.368 62.271 -9.987 1.00 0.00 WT1 O ATOM 8621 H1 TIP3 1932 36.415 62.191 -10.024 1.00 0.00 WT1 H ATOM 8622 H2 TIP3 1932 37.675 61.388 -9.782 1.00 0.00 WT1 H ATOM 8623 OH2 TIP3 1934 20.853 28.495 22.590 1.00 0.00 WT1 O ATOM 8624 H1 TIP3 1934 20.355 28.603 21.780 1.00 0.00 WT1 H ATOM 8625 H2 TIP3 1934 21.735 28.796 22.371 1.00 0.00 WT1 H ATOM 8626 OH2 TIP3 1935 27.388 43.691 -5.478 1.00 0.00 WT1 O ATOM 8627 H1 TIP3 1935 27.708 43.020 -4.875 1.00 0.00 WT1 H ATOM 8628 H2 TIP3 1935 27.433 44.506 -4.977 1.00 0.00 WT1 H ATOM 8629 OH2 TIP3 1936 75.416 46.801 20.225 1.00 0.00 WT1 O ATOM 8630 H1 TIP3 1936 75.016 45.935 20.299 1.00 0.00 WT1 H ATOM 8631 H2 TIP3 1936 74.985 47.201 19.470 1.00 0.00 WT1 H ATOM 8632 OH2 TIP3 1937 60.013 27.095 32.436 1.00 0.00 WT1 O ATOM 8633 H1 TIP3 1937 60.111 27.687 31.690 1.00 0.00 WT1 H ATOM 8634 H2 TIP3 1937 60.417 26.276 32.148 1.00 0.00 WT1 H ATOM 8635 OH2 TIP3 1938 66.177 94.957 11.834 1.00 0.00 WT1 O ATOM 8636 H1 TIP3 1938 65.414 94.793 12.389 1.00 0.00 WT1 H ATOM 8637 H2 TIP3 1938 66.807 94.281 12.086 1.00 0.00 WT1 H ATOM 8638 OH2 TIP3 1939 28.490 51.595 -3.167 1.00 0.00 WT1 O ATOM 8639 H1 TIP3 1939 28.353 50.807 -3.692 1.00 0.00 WT1 H ATOM 8640 H2 TIP3 1939 27.728 51.634 -2.589 1.00 0.00 WT1 H ATOM 8641 OH2 TIP3 1940 22.110 88.157 -3.373 1.00 0.00 WT1 O ATOM 8642 H1 TIP3 1940 21.248 88.479 -3.110 1.00 0.00 WT1 H ATOM 8643 H2 TIP3 1940 22.472 87.765 -2.578 1.00 0.00 WT1 H ATOM 8644 OH2 TIP3 1941 47.932 92.923 26.341 1.00 0.00 WT1 O ATOM 8645 H1 TIP3 1941 48.693 92.363 26.187 1.00 0.00 WT1 H ATOM 8646 H2 TIP3 1941 47.632 93.167 25.465 1.00 0.00 WT1 H ATOM 8647 OH2 TIP3 1942 49.979 40.952 23.794 1.00 0.00 WT1 O ATOM 8648 H1 TIP3 1942 50.522 41.234 24.530 1.00 0.00 WT1 H ATOM 8649 H2 TIP3 1942 50.194 41.562 23.089 1.00 0.00 WT1 H ATOM 8650 OH2 TIP3 1943 57.548 19.603 16.656 1.00 0.00 WT1 O ATOM 8651 H1 TIP3 1943 57.822 20.420 17.072 1.00 0.00 WT1 H ATOM 8652 H2 TIP3 1943 57.787 19.711 15.735 1.00 0.00 WT1 H ATOM 8653 OH2 TIP3 1944 86.300 81.980 43.437 1.00 0.00 WT1 O ATOM 8654 H1 TIP3 1944 86.156 82.628 42.746 1.00 0.00 WT1 H ATOM 8655 H2 TIP3 1944 85.737 81.245 43.197 1.00 0.00 WT1 H ATOM 8656 OH2 TIP3 1945 29.297 63.113 54.085 1.00 0.00 WT1 O ATOM 8657 H1 TIP3 1945 29.306 63.771 53.389 1.00 0.00 WT1 H ATOM 8658 H2 TIP3 1945 29.684 62.335 53.685 1.00 0.00 WT1 H ATOM 8659 OH2 TIP3 1946 86.016 49.342 30.121 1.00 0.00 WT1 O ATOM 8660 H1 TIP3 1946 85.432 50.100 30.158 1.00 0.00 WT1 H ATOM 8661 H2 TIP3 1946 86.114 49.160 29.186 1.00 0.00 WT1 H ATOM 8662 OH2 TIP3 1947 34.474 72.048 15.764 1.00 0.00 WT1 O ATOM 8663 H1 TIP3 1947 35.004 71.276 15.568 1.00 0.00 WT1 H ATOM 8664 H2 TIP3 1947 33.957 71.796 16.530 1.00 0.00 WT1 H ATOM 8665 OH2 TIP3 1948 58.610 23.255 42.100 1.00 0.00 WT1 O ATOM 8666 H1 TIP3 1948 58.600 22.832 41.241 1.00 0.00 WT1 H ATOM 8667 H2 TIP3 1948 58.549 24.191 41.906 1.00 0.00 WT1 H ATOM 8668 OH2 TIP3 1949 49.562 75.313 49.870 1.00 0.00 WT1 O ATOM 8669 H1 TIP3 1949 48.704 75.561 49.527 1.00 0.00 WT1 H ATOM 8670 H2 TIP3 1949 49.496 75.465 50.813 1.00 0.00 WT1 H ATOM 8671 OH2 TIP3 1950 40.528 27.018 2.857 1.00 0.00 WT1 O ATOM 8672 H1 TIP3 1950 41.099 27.547 2.299 1.00 0.00 WT1 H ATOM 8673 H2 TIP3 1950 41.029 26.219 3.023 1.00 0.00 WT1 H ATOM 8674 OH2 TIP3 1951 56.793 14.272 45.283 1.00 0.00 WT1 O ATOM 8675 H1 TIP3 1951 56.998 14.597 44.406 1.00 0.00 WT1 H ATOM 8676 H2 TIP3 1951 57.384 14.754 45.862 1.00 0.00 WT1 H ATOM 8677 OH2 TIP3 1952 62.483 25.506 4.192 1.00 0.00 WT1 O ATOM 8678 H1 TIP3 1952 62.651 25.172 3.311 1.00 0.00 WT1 H ATOM 8679 H2 TIP3 1952 62.061 24.778 4.649 1.00 0.00 WT1 H ATOM 8680 OH2 TIP3 1953 32.892 33.805 38.965 1.00 0.00 WT1 O ATOM 8681 H1 TIP3 1953 32.674 33.611 39.876 1.00 0.00 WT1 H ATOM 8682 H2 TIP3 1953 32.579 34.699 38.829 1.00 0.00 WT1 H ATOM 8683 OH2 TIP3 1954 78.952 39.664 65.721 1.00 0.00 WT1 O ATOM 8684 H1 TIP3 1954 78.816 39.374 64.819 1.00 0.00 WT1 H ATOM 8685 H2 TIP3 1954 78.382 39.100 66.243 1.00 0.00 WT1 H ATOM 8686 OH2 TIP3 1955 88.262 42.220 10.767 1.00 0.00 WT1 O ATOM 8687 H1 TIP3 1955 88.324 42.880 11.458 1.00 0.00 WT1 H ATOM 8688 H2 TIP3 1955 88.558 41.410 11.181 1.00 0.00 WT1 H ATOM 8689 OH2 TIP3 1956 69.298 7.566 50.243 1.00 0.00 WT1 O ATOM 8690 H1 TIP3 1956 69.758 8.393 50.100 1.00 0.00 WT1 H ATOM 8691 H2 TIP3 1956 68.831 7.406 49.423 1.00 0.00 WT1 H ATOM 8692 OH2 TIP3 1957 40.795 39.085 22.530 1.00 0.00 WT1 O ATOM 8693 H1 TIP3 1957 41.366 39.853 22.533 1.00 0.00 WT1 H ATOM 8694 H2 TIP3 1957 41.357 38.369 22.235 1.00 0.00 WT1 H ATOM 8695 OH2 TIP3 1958 41.962 43.270 37.965 1.00 0.00 WT1 O ATOM 8696 H1 TIP3 1958 42.604 43.536 37.306 1.00 0.00 WT1 H ATOM 8697 H2 TIP3 1958 41.962 43.985 38.602 1.00 0.00 WT1 H ATOM 8698 OH2 TIP3 1959 68.089 80.120 21.167 1.00 0.00 WT1 O ATOM 8699 H1 TIP3 1959 67.901 80.268 20.241 1.00 0.00 WT1 H ATOM 8700 H2 TIP3 1959 67.429 79.485 21.448 1.00 0.00 WT1 H ATOM 8701 OH2 TIP3 1960 58.569 23.953 -9.301 1.00 0.00 WT1 O ATOM 8702 H1 TIP3 1960 58.292 23.829 -10.209 1.00 0.00 WT1 H ATOM 8703 H2 TIP3 1960 57.788 23.762 -8.783 1.00 0.00 WT1 H ATOM 8704 OH2 TIP3 1961 62.302 81.984 -4.962 1.00 0.00 WT1 O ATOM 8705 H1 TIP3 1961 62.372 82.570 -5.715 1.00 0.00 WT1 H ATOM 8706 H2 TIP3 1961 62.242 82.569 -4.207 1.00 0.00 WT1 H ATOM 8707 OH2 TIP3 1962 36.338 70.184 -0.202 1.00 0.00 WT1 O ATOM 8708 H1 TIP3 1962 36.776 70.549 0.567 1.00 0.00 WT1 H ATOM 8709 H2 TIP3 1962 36.140 69.280 0.041 1.00 0.00 WT1 H ATOM 8710 OH2 TIP3 1964 55.594 46.156 20.179 1.00 0.00 WT1 O ATOM 8711 H1 TIP3 1964 54.774 46.146 19.685 1.00 0.00 WT1 H ATOM 8712 H2 TIP3 1964 56.057 45.369 19.893 1.00 0.00 WT1 H ATOM 8713 OH2 TIP3 1965 22.872 72.999 -7.368 1.00 0.00 WT1 O ATOM 8714 H1 TIP3 1965 23.244 72.477 -6.657 1.00 0.00 WT1 H ATOM 8715 H2 TIP3 1965 22.614 73.822 -6.952 1.00 0.00 WT1 H ATOM 8716 OH2 TIP3 1966 57.389 16.361 9.405 1.00 0.00 WT1 O ATOM 8717 H1 TIP3 1966 56.578 15.955 9.097 1.00 0.00 WT1 H ATOM 8718 H2 TIP3 1966 58.081 15.772 9.104 1.00 0.00 WT1 H ATOM 8719 OH2 TIP3 1967 35.543 77.700 37.012 1.00 0.00 WT1 O ATOM 8720 H1 TIP3 1967 36.277 78.082 37.492 1.00 0.00 WT1 H ATOM 8721 H2 TIP3 1967 35.832 77.690 36.100 1.00 0.00 WT1 H ATOM 8722 OH2 TIP3 1968 75.713 11.095 -15.249 1.00 0.00 WT1 O ATOM 8723 H1 TIP3 1968 76.403 11.117 -14.586 1.00 0.00 WT1 H ATOM 8724 H2 TIP3 1968 75.593 10.165 -15.439 1.00 0.00 WT1 H ATOM 8725 OH2 TIP3 1969 41.604 12.762 58.816 1.00 0.00 WT1 O ATOM 8726 H1 TIP3 1969 41.377 12.145 58.120 1.00 0.00 WT1 H ATOM 8727 H2 TIP3 1969 41.229 12.378 59.609 1.00 0.00 WT1 H ATOM 8728 OH2 TIP3 1971 87.544 71.571 58.759 1.00 0.00 WT1 O ATOM 8729 H1 TIP3 1971 87.910 71.848 57.919 1.00 0.00 WT1 H ATOM 8730 H2 TIP3 1971 87.680 72.321 59.338 1.00 0.00 WT1 H ATOM 8731 OH2 TIP3 1973 38.035 9.734 -8.593 1.00 0.00 WT1 O ATOM 8732 H1 TIP3 1973 38.078 10.542 -9.104 1.00 0.00 WT1 H ATOM 8733 H2 TIP3 1973 38.869 9.702 -8.124 1.00 0.00 WT1 H ATOM 8734 OH2 TIP3 1974 29.094 88.877 21.503 1.00 0.00 WT1 O ATOM 8735 H1 TIP3 1974 29.143 89.442 22.275 1.00 0.00 WT1 H ATOM 8736 H2 TIP3 1974 29.922 88.397 21.506 1.00 0.00 WT1 H ATOM 8737 OH2 TIP3 1975 50.601 55.561 53.114 1.00 0.00 WT1 O ATOM 8738 H1 TIP3 1975 50.009 56.186 53.533 1.00 0.00 WT1 H ATOM 8739 H2 TIP3 1975 50.475 55.704 52.176 1.00 0.00 WT1 H ATOM 8740 OH2 TIP3 1976 83.587 43.342 54.110 1.00 0.00 WT1 O ATOM 8741 H1 TIP3 1976 82.849 42.924 53.666 1.00 0.00 WT1 H ATOM 8742 H2 TIP3 1976 83.188 44.037 54.634 1.00 0.00 WT1 H ATOM 8743 OH2 TIP3 1977 36.961 83.813 43.363 1.00 0.00 WT1 O ATOM 8744 H1 TIP3 1977 37.681 83.183 43.393 1.00 0.00 WT1 H ATOM 8745 H2 TIP3 1977 37.246 84.532 43.926 1.00 0.00 WT1 H ATOM 8746 OH2 TIP3 1978 42.695 19.816 61.071 1.00 0.00 WT1 O ATOM 8747 H1 TIP3 1978 42.768 19.148 60.389 1.00 0.00 WT1 H ATOM 8748 H2 TIP3 1978 43.562 20.221 61.103 1.00 0.00 WT1 H ATOM 8749 OH2 TIP3 1979 90.236 81.006 21.006 1.00 0.00 WT1 O ATOM 8750 H1 TIP3 1979 89.551 80.367 21.207 1.00 0.00 WT1 H ATOM 8751 H2 TIP3 1979 90.315 81.531 21.802 1.00 0.00 WT1 H ATOM 8752 OH2 TIP3 1980 37.364 48.809 35.137 1.00 0.00 WT1 O ATOM 8753 H1 TIP3 1980 38.171 48.923 35.640 1.00 0.00 WT1 H ATOM 8754 H2 TIP3 1980 37.542 48.063 34.564 1.00 0.00 WT1 H ATOM 8755 OH2 TIP3 1981 26.459 42.711 41.260 1.00 0.00 WT1 O ATOM 8756 H1 TIP3 1981 26.857 42.522 42.109 1.00 0.00 WT1 H ATOM 8757 H2 TIP3 1981 26.792 42.025 40.680 1.00 0.00 WT1 H ATOM 8758 OH2 TIP3 1982 49.358 93.241 47.185 1.00 0.00 WT1 O ATOM 8759 H1 TIP3 1982 50.311 93.230 47.278 1.00 0.00 WT1 H ATOM 8760 H2 TIP3 1982 49.028 93.148 48.079 1.00 0.00 WT1 H ATOM 8761 OH2 TIP3 1983 73.432 34.967 47.999 1.00 0.00 WT1 O ATOM 8762 H1 TIP3 1983 73.182 34.736 48.893 1.00 0.00 WT1 H ATOM 8763 H2 TIP3 1983 73.033 34.288 47.455 1.00 0.00 WT1 H ATOM 8764 OH2 TIP3 1984 28.710 54.576 65.499 1.00 0.00 WT1 O ATOM 8765 H1 TIP3 1984 28.787 55.390 65.997 1.00 0.00 WT1 H ATOM 8766 H2 TIP3 1984 28.429 53.926 66.144 1.00 0.00 WT1 H ATOM 8767 OH2 TIP3 1986 32.698 46.844 10.818 1.00 0.00 WT1 O ATOM 8768 H1 TIP3 1986 31.995 46.717 11.455 1.00 0.00 WT1 H ATOM 8769 H2 TIP3 1986 33.464 47.068 11.346 1.00 0.00 WT1 H ATOM 8770 OH2 TIP3 1987 53.930 77.712 17.994 1.00 0.00 WT1 O ATOM 8771 H1 TIP3 1987 54.448 77.106 17.463 1.00 0.00 WT1 H ATOM 8772 H2 TIP3 1987 54.466 78.503 18.046 1.00 0.00 WT1 H ATOM 8773 OH2 TIP3 1989 87.441 46.017 16.778 1.00 0.00 WT1 O ATOM 8774 H1 TIP3 1989 88.001 46.661 16.346 1.00 0.00 WT1 H ATOM 8775 H2 TIP3 1989 86.749 45.835 16.142 1.00 0.00 WT1 H ATOM 8776 OH2 TIP3 1990 69.810 48.332 33.876 1.00 0.00 WT1 O ATOM 8777 H1 TIP3 1990 69.256 47.607 33.585 1.00 0.00 WT1 H ATOM 8778 H2 TIP3 1990 69.417 49.109 33.479 1.00 0.00 WT1 H ATOM 8779 OH2 TIP3 1991 36.627 28.710 61.772 1.00 0.00 WT1 O ATOM 8780 H1 TIP3 1991 37.273 28.099 62.126 1.00 0.00 WT1 H ATOM 8781 H2 TIP3 1991 35.782 28.296 61.951 1.00 0.00 WT1 H ATOM 8782 OH2 TIP3 1992 40.548 88.085 5.037 1.00 0.00 WT1 O ATOM 8783 H1 TIP3 1992 39.684 88.202 4.642 1.00 0.00 WT1 H ATOM 8784 H2 TIP3 1992 40.402 88.206 5.975 1.00 0.00 WT1 H ATOM 8785 OH2 TIP3 1993 36.111 18.602 17.511 1.00 0.00 WT1 O ATOM 8786 H1 TIP3 1993 35.196 18.871 17.428 1.00 0.00 WT1 H ATOM 8787 H2 TIP3 1993 36.605 19.293 17.070 1.00 0.00 WT1 H ATOM 8788 OH2 TIP3 1994 77.758 40.184 30.945 1.00 0.00 WT1 O ATOM 8789 H1 TIP3 1994 77.397 39.396 31.352 1.00 0.00 WT1 H ATOM 8790 H2 TIP3 1994 77.066 40.489 30.358 1.00 0.00 WT1 H ATOM 8791 OH2 TIP3 1995 74.293 79.723 33.116 1.00 0.00 WT1 O ATOM 8792 H1 TIP3 1995 73.683 79.824 33.847 1.00 0.00 WT1 H ATOM 8793 H2 TIP3 1995 73.759 79.368 32.405 1.00 0.00 WT1 H ATOM 8794 OH2 TIP3 1996 63.648 33.059 28.380 1.00 0.00 WT1 O ATOM 8795 H1 TIP3 1996 63.586 33.053 27.425 1.00 0.00 WT1 H ATOM 8796 H2 TIP3 1996 62.885 33.561 28.667 1.00 0.00 WT1 H ATOM 8797 OH2 TIP3 1997 59.371 40.477 -14.074 1.00 0.00 WT1 O ATOM 8798 H1 TIP3 1997 59.655 39.675 -13.635 1.00 0.00 WT1 H ATOM 8799 H2 TIP3 1997 60.173 40.843 -14.448 1.00 0.00 WT1 H ATOM 8800 OH2 TIP3 1998 61.208 63.041 55.788 1.00 0.00 WT1 O ATOM 8801 H1 TIP3 1998 62.079 63.244 55.448 1.00 0.00 WT1 H ATOM 8802 H2 TIP3 1998 61.369 62.445 56.519 1.00 0.00 WT1 H ATOM 8803 OH2 TIP3 1999 84.181 45.444 19.204 1.00 0.00 WT1 O ATOM 8804 H1 TIP3 1999 84.644 46.016 19.816 1.00 0.00 WT1 H ATOM 8805 H2 TIP3 1999 84.618 44.596 19.290 1.00 0.00 WT1 H ATOM 8806 OH2 TIP3 2000 24.689 42.249 11.991 1.00 0.00 WT1 O ATOM 8807 H1 TIP3 2000 25.246 41.626 12.458 1.00 0.00 WT1 H ATOM 8808 H2 TIP3 2000 24.115 42.611 12.667 1.00 0.00 WT1 H ATOM 8809 OH2 TIP3 2001 39.854 58.332 -0.108 1.00 0.00 WT1 O ATOM 8810 H1 TIP3 2001 39.502 59.141 0.261 1.00 0.00 WT1 H ATOM 8811 H2 TIP3 2001 40.791 58.502 -0.209 1.00 0.00 WT1 H ATOM 8812 OH2 TIP3 2002 39.150 37.560 -13.614 1.00 0.00 WT1 O ATOM 8813 H1 TIP3 2002 39.124 38.517 -13.617 1.00 0.00 WT1 H ATOM 8814 H2 TIP3 2002 39.567 37.329 -14.445 1.00 0.00 WT1 H ATOM 8815 OH2 TIP3 2003 30.274 64.014 9.513 1.00 0.00 WT1 O ATOM 8816 H1 TIP3 2003 29.356 63.748 9.551 1.00 0.00 WT1 H ATOM 8817 H2 TIP3 2003 30.640 63.737 10.353 1.00 0.00 WT1 H ATOM 8818 OH2 TIP3 2004 27.659 30.323 15.609 1.00 0.00 WT1 O ATOM 8819 H1 TIP3 2004 27.883 31.239 15.773 1.00 0.00 WT1 H ATOM 8820 H2 TIP3 2004 28.338 29.825 16.065 1.00 0.00 WT1 H ATOM 8821 OH2 TIP3 2005 69.420 75.616 -7.189 1.00 0.00 WT1 O ATOM 8822 H1 TIP3 2005 70.283 75.678 -6.779 1.00 0.00 WT1 H ATOM 8823 H2 TIP3 2005 69.178 74.694 -7.098 1.00 0.00 WT1 H ATOM 8824 OH2 TIP3 2006 32.513 44.239 20.097 1.00 0.00 WT1 O ATOM 8825 H1 TIP3 2006 32.109 44.997 20.520 1.00 0.00 WT1 H ATOM 8826 H2 TIP3 2006 33.420 44.506 19.942 1.00 0.00 WT1 H ATOM 8827 OH2 TIP3 2008 62.229 1.778 60.591 1.00 0.00 WT1 O ATOM 8828 H1 TIP3 2008 62.207 1.142 59.875 1.00 0.00 WT1 H ATOM 8829 H2 TIP3 2008 63.088 2.193 60.517 1.00 0.00 WT1 H ATOM 8830 OH2 TIP3 2010 47.991 43.288 55.935 1.00 0.00 WT1 O ATOM 8831 H1 TIP3 2010 47.060 43.441 55.774 1.00 0.00 WT1 H ATOM 8832 H2 TIP3 2010 48.277 44.051 56.437 1.00 0.00 WT1 H ATOM 8833 OH2 TIP3 2013 42.961 14.023 42.104 1.00 0.00 WT1 O ATOM 8834 H1 TIP3 2013 42.136 13.576 42.297 1.00 0.00 WT1 H ATOM 8835 H2 TIP3 2013 43.634 13.359 42.254 1.00 0.00 WT1 H ATOM 8836 OH2 TIP3 2014 86.308 61.869 0.727 1.00 0.00 WT1 O ATOM 8837 H1 TIP3 2014 85.721 61.426 1.340 1.00 0.00 WT1 H ATOM 8838 H2 TIP3 2014 87.186 61.698 1.069 1.00 0.00 WT1 H ATOM 8839 OH2 TIP3 2015 85.790 29.937 13.570 1.00 0.00 WT1 O ATOM 8840 H1 TIP3 2015 86.065 29.021 13.605 1.00 0.00 WT1 H ATOM 8841 H2 TIP3 2015 85.007 29.932 13.020 1.00 0.00 WT1 H ATOM 8842 OH2 TIP3 2016 59.922 53.262 33.572 1.00 0.00 WT1 O ATOM 8843 H1 TIP3 2016 59.850 52.459 33.056 1.00 0.00 WT1 H ATOM 8844 H2 TIP3 2016 59.137 53.763 33.348 1.00 0.00 WT1 H ATOM 8845 OH2 TIP3 2017 62.799 86.624 14.522 1.00 0.00 WT1 O ATOM 8846 H1 TIP3 2017 63.023 86.036 13.800 1.00 0.00 WT1 H ATOM 8847 H2 TIP3 2017 62.003 87.069 14.230 1.00 0.00 WT1 H ATOM 8848 OH2 TIP3 2018 29.770 65.627 -9.426 1.00 0.00 WT1 O ATOM 8849 H1 TIP3 2018 29.334 65.341 -8.623 1.00 0.00 WT1 H ATOM 8850 H2 TIP3 2018 29.063 65.965 -9.976 1.00 0.00 WT1 H ATOM 8851 OH2 TIP3 2019 26.805 87.472 -0.070 1.00 0.00 WT1 O ATOM 8852 H1 TIP3 2019 26.759 87.877 0.796 1.00 0.00 WT1 H ATOM 8853 H2 TIP3 2019 27.503 86.821 0.006 1.00 0.00 WT1 H ATOM 8854 OH2 TIP3 2020 67.933 38.165 45.143 1.00 0.00 WT1 O ATOM 8855 H1 TIP3 2020 67.570 38.908 45.625 1.00 0.00 WT1 H ATOM 8856 H2 TIP3 2020 68.761 38.490 44.789 1.00 0.00 WT1 H ATOM 8857 OH2 TIP3 2021 27.150 51.960 3.005 1.00 0.00 WT1 O ATOM 8858 H1 TIP3 2021 27.895 51.977 2.403 1.00 0.00 WT1 H ATOM 8859 H2 TIP3 2021 27.163 52.819 3.426 1.00 0.00 WT1 H ATOM 8860 OH2 TIP3 2022 82.755 26.662 7.782 1.00 0.00 WT1 O ATOM 8861 H1 TIP3 2022 82.333 27.326 8.326 1.00 0.00 WT1 H ATOM 8862 H2 TIP3 2022 83.382 27.151 7.249 1.00 0.00 WT1 H ATOM 8863 OH2 TIP3 2023 49.943 74.323 -1.004 1.00 0.00 WT1 O ATOM 8864 H1 TIP3 2023 49.215 74.272 -0.383 1.00 0.00 WT1 H ATOM 8865 H2 TIP3 2023 50.716 74.099 -0.486 1.00 0.00 WT1 H ATOM 8866 OH2 TIP3 2024 42.429 56.381 14.424 1.00 0.00 WT1 O ATOM 8867 H1 TIP3 2024 41.631 56.421 14.951 1.00 0.00 WT1 H ATOM 8868 H2 TIP3 2024 43.140 56.439 15.061 1.00 0.00 WT1 H ATOM 8869 OH2 TIP3 2025 85.400 65.196 26.519 1.00 0.00 WT1 O ATOM 8870 H1 TIP3 2025 86.096 65.723 26.912 1.00 0.00 WT1 H ATOM 8871 H2 TIP3 2025 85.811 64.786 25.758 1.00 0.00 WT1 H ATOM 8872 OH2 TIP3 2030 67.014 58.382 56.560 1.00 0.00 WT1 O ATOM 8873 H1 TIP3 2030 67.307 59.095 55.993 1.00 0.00 WT1 H ATOM 8874 H2 TIP3 2030 66.469 57.835 55.995 1.00 0.00 WT1 H ATOM 8875 OH2 TIP3 2032 37.560 91.751 -13.939 1.00 0.00 WT1 O ATOM 8876 H1 TIP3 2032 37.475 91.076 -14.613 1.00 0.00 WT1 H ATOM 8877 H2 TIP3 2032 37.088 92.504 -14.293 1.00 0.00 WT1 H ATOM 8878 OH2 TIP3 2033 54.284 52.825 61.273 1.00 0.00 WT1 O ATOM 8879 H1 TIP3 2033 54.726 53.614 61.586 1.00 0.00 WT1 H ATOM 8880 H2 TIP3 2033 53.370 52.944 61.529 1.00 0.00 WT1 H ATOM 8881 OH2 TIP3 2035 53.686 27.204 6.313 1.00 0.00 WT1 O ATOM 8882 H1 TIP3 2035 54.340 27.228 5.615 1.00 0.00 WT1 H ATOM 8883 H2 TIP3 2035 54.176 27.409 7.109 1.00 0.00 WT1 H ATOM 8884 OH2 TIP3 2036 62.405 67.134 49.005 1.00 0.00 WT1 O ATOM 8885 H1 TIP3 2036 61.955 67.297 48.177 1.00 0.00 WT1 H ATOM 8886 H2 TIP3 2036 62.298 66.194 49.156 1.00 0.00 WT1 H ATOM 8887 OH2 TIP3 2037 33.732 19.168 8.788 1.00 0.00 WT1 O ATOM 8888 H1 TIP3 2037 34.004 18.590 9.501 1.00 0.00 WT1 H ATOM 8889 H2 TIP3 2037 34.033 18.728 7.993 1.00 0.00 WT1 H ATOM 8890 OH2 TIP3 2038 40.698 56.124 -10.580 1.00 0.00 WT1 O ATOM 8891 H1 TIP3 2038 41.084 56.977 -10.381 1.00 0.00 WT1 H ATOM 8892 H2 TIP3 2038 40.361 55.811 -9.740 1.00 0.00 WT1 H ATOM 8893 OH2 TIP3 2040 29.444 37.728 60.528 1.00 0.00 WT1 O ATOM 8894 H1 TIP3 2040 29.267 38.201 61.341 1.00 0.00 WT1 H ATOM 8895 H2 TIP3 2040 29.771 38.398 59.927 1.00 0.00 WT1 H ATOM 8896 OH2 TIP3 2041 35.748 61.571 38.750 1.00 0.00 WT1 O ATOM 8897 H1 TIP3 2041 35.478 60.813 38.232 1.00 0.00 WT1 H ATOM 8898 H2 TIP3 2041 35.378 62.322 38.286 1.00 0.00 WT1 H ATOM 8899 OH2 TIP3 2042 35.887 85.940 25.910 1.00 0.00 WT1 O ATOM 8900 H1 TIP3 2042 36.538 85.239 25.874 1.00 0.00 WT1 H ATOM 8901 H2 TIP3 2042 35.088 85.545 25.561 1.00 0.00 WT1 H ATOM 8902 OH2 TIP3 2043 55.482 18.567 -18.488 1.00 0.00 WT1 O ATOM 8903 H1 TIP3 2043 55.312 19.305 -19.073 1.00 0.00 WT1 H ATOM 8904 H2 TIP3 2043 55.384 18.930 -17.608 1.00 0.00 WT1 H ATOM 8905 OH2 TIP3 2044 62.388 74.015 41.592 1.00 0.00 WT1 O ATOM 8906 H1 TIP3 2044 62.028 73.846 40.721 1.00 0.00 WT1 H ATOM 8907 H2 TIP3 2044 62.841 73.205 41.826 1.00 0.00 WT1 H ATOM 8908 OH2 TIP3 2045 74.193 77.892 -17.633 1.00 0.00 WT1 O ATOM 8909 H1 TIP3 2045 73.386 77.819 -17.123 1.00 0.00 WT1 H ATOM 8910 H2 TIP3 2045 74.565 78.734 -17.372 1.00 0.00 WT1 H ATOM 8911 OH2 TIP3 2046 59.899 64.982 -12.841 1.00 0.00 WT1 O ATOM 8912 H1 TIP3 2046 59.026 64.697 -12.573 1.00 0.00 WT1 H ATOM 8913 H2 TIP3 2046 60.458 64.781 -12.091 1.00 0.00 WT1 H ATOM 8914 OH2 TIP3 2047 61.835 44.049 59.096 1.00 0.00 WT1 O ATOM 8915 H1 TIP3 2047 61.849 43.260 59.637 1.00 0.00 WT1 H ATOM 8916 H2 TIP3 2047 61.126 44.578 59.461 1.00 0.00 WT1 H ATOM 8917 OH2 TIP3 2049 53.578 15.708 36.460 1.00 0.00 WT1 O ATOM 8918 H1 TIP3 2049 53.295 15.878 37.359 1.00 0.00 WT1 H ATOM 8919 H2 TIP3 2049 54.494 15.983 36.441 1.00 0.00 WT1 H ATOM 8920 OH2 TIP3 2051 62.602 45.679 36.143 1.00 0.00 WT1 O ATOM 8921 H1 TIP3 2051 62.312 46.297 36.815 1.00 0.00 WT1 H ATOM 8922 H2 TIP3 2051 63.555 45.770 36.128 1.00 0.00 WT1 H ATOM 8923 OH2 TIP3 2052 70.703 48.463 39.067 1.00 0.00 WT1 O ATOM 8924 H1 TIP3 2052 69.965 47.942 38.750 1.00 0.00 WT1 H ATOM 8925 H2 TIP3 2052 70.330 49.013 39.756 1.00 0.00 WT1 H ATOM 8926 OH2 TIP3 2053 55.094 96.391 57.044 1.00 0.00 WT1 O ATOM 8927 H1 TIP3 2053 54.512 95.863 56.498 1.00 0.00 WT1 H ATOM 8928 H2 TIP3 2053 55.772 96.700 56.443 1.00 0.00 WT1 H ATOM 8929 OH2 TIP3 2055 84.377 65.770 59.053 1.00 0.00 WT1 O ATOM 8930 H1 TIP3 2055 85.042 65.163 59.378 1.00 0.00 WT1 H ATOM 8931 H2 TIP3 2055 83.717 65.208 58.648 1.00 0.00 WT1 H ATOM 8932 OH2 TIP3 2056 33.278 87.264 -13.540 1.00 0.00 WT1 O ATOM 8933 H1 TIP3 2056 32.852 88.119 -13.599 1.00 0.00 WT1 H ATOM 8934 H2 TIP3 2056 33.902 87.356 -12.820 1.00 0.00 WT1 H ATOM 8935 OH2 TIP3 2057 82.298 20.593 10.965 1.00 0.00 WT1 O ATOM 8936 H1 TIP3 2057 81.959 21.319 10.441 1.00 0.00 WT1 H ATOM 8937 H2 TIP3 2057 81.522 20.089 11.208 1.00 0.00 WT1 H ATOM 8938 OH2 TIP3 2058 69.853 20.553 44.113 1.00 0.00 WT1 O ATOM 8939 H1 TIP3 2058 70.799 20.608 43.981 1.00 0.00 WT1 H ATOM 8940 H2 TIP3 2058 69.625 19.661 43.851 1.00 0.00 WT1 H ATOM 8941 OH2 TIP3 2059 29.565 56.779 -14.958 1.00 0.00 WT1 O ATOM 8942 H1 TIP3 2059 29.994 57.090 -14.160 1.00 0.00 WT1 H ATOM 8943 H2 TIP3 2059 28.630 56.877 -14.781 1.00 0.00 WT1 H ATOM 8944 OH2 TIP3 2060 79.340 61.148 -8.834 1.00 0.00 WT1 O ATOM 8945 H1 TIP3 2060 79.205 61.940 -9.354 1.00 0.00 WT1 H ATOM 8946 H2 TIP3 2060 78.511 61.020 -8.372 1.00 0.00 WT1 H ATOM 8947 OH2 TIP3 2061 28.201 49.100 6.494 1.00 0.00 WT1 O ATOM 8948 H1 TIP3 2061 27.643 49.782 6.120 1.00 0.00 WT1 H ATOM 8949 H2 TIP3 2061 28.945 49.575 6.865 1.00 0.00 WT1 H ATOM 8950 OH2 TIP3 2062 22.959 35.181 13.925 1.00 0.00 WT1 O ATOM 8951 H1 TIP3 2062 23.788 35.043 13.466 1.00 0.00 WT1 H ATOM 8952 H2 TIP3 2062 23.035 36.059 14.299 1.00 0.00 WT1 H ATOM 8953 OH2 TIP3 2063 87.713 68.440 65.737 1.00 0.00 WT1 O ATOM 8954 H1 TIP3 2063 88.298 68.587 66.480 1.00 0.00 WT1 H ATOM 8955 H2 TIP3 2063 87.149 67.718 66.014 1.00 0.00 WT1 H ATOM 8956 OH2 TIP3 2064 61.493 91.124 65.236 1.00 0.00 WT1 O ATOM 8957 H1 TIP3 2064 61.429 91.690 66.005 1.00 0.00 WT1 H ATOM 8958 H2 TIP3 2064 62.160 90.478 65.468 1.00 0.00 WT1 H ATOM 8959 OH2 TIP3 2066 40.911 49.431 12.832 1.00 0.00 WT1 O ATOM 8960 H1 TIP3 2066 41.005 50.337 13.128 1.00 0.00 WT1 H ATOM 8961 H2 TIP3 2066 41.666 49.286 12.261 1.00 0.00 WT1 H ATOM 8962 OH2 TIP3 2067 71.978 87.604 7.954 1.00 0.00 WT1 O ATOM 8963 H1 TIP3 2067 72.781 87.552 7.435 1.00 0.00 WT1 H ATOM 8964 H2 TIP3 2067 71.313 87.910 7.337 1.00 0.00 WT1 H ATOM 8965 OH2 TIP3 2068 28.948 82.358 19.636 1.00 0.00 WT1 O ATOM 8966 H1 TIP3 2068 29.022 81.846 20.442 1.00 0.00 WT1 H ATOM 8967 H2 TIP3 2068 28.030 82.273 19.381 1.00 0.00 WT1 H ATOM 8968 OH2 TIP3 2069 67.193 30.024 -15.847 1.00 0.00 WT1 O ATOM 8969 H1 TIP3 2069 66.951 29.265 -15.317 1.00 0.00 WT1 H ATOM 8970 H2 TIP3 2069 67.201 30.755 -15.230 1.00 0.00 WT1 H ATOM 8971 OH2 TIP3 2070 70.169 30.869 43.102 1.00 0.00 WT1 O ATOM 8972 H1 TIP3 2070 70.001 30.182 43.747 1.00 0.00 WT1 H ATOM 8973 H2 TIP3 2070 69.367 30.910 42.581 1.00 0.00 WT1 H ATOM 8974 OH2 TIP3 2071 68.512 46.034 8.869 1.00 0.00 WT1 O ATOM 8975 H1 TIP3 2071 68.763 46.816 9.362 1.00 0.00 WT1 H ATOM 8976 H2 TIP3 2071 67.636 45.819 9.190 1.00 0.00 WT1 H ATOM 8977 OH2 TIP3 2074 84.234 66.324 48.305 1.00 0.00 WT1 O ATOM 8978 H1 TIP3 2074 83.873 65.449 48.444 1.00 0.00 WT1 H ATOM 8979 H2 TIP3 2074 84.222 66.730 49.172 1.00 0.00 WT1 H ATOM 8980 OH2 TIP3 2075 46.097 80.583 -11.271 1.00 0.00 WT1 O ATOM 8981 H1 TIP3 2075 46.315 80.386 -12.181 1.00 0.00 WT1 H ATOM 8982 H2 TIP3 2075 45.165 80.374 -11.197 1.00 0.00 WT1 H ATOM 8983 OH2 TIP3 2076 22.700 89.443 8.909 1.00 0.00 WT1 O ATOM 8984 H1 TIP3 2076 22.619 88.516 8.687 1.00 0.00 WT1 H ATOM 8985 H2 TIP3 2076 22.386 89.502 9.812 1.00 0.00 WT1 H ATOM 8986 OH2 TIP3 2079 90.004 36.920 44.829 1.00 0.00 WT1 O ATOM 8987 H1 TIP3 2079 90.215 36.024 44.564 1.00 0.00 WT1 H ATOM 8988 H2 TIP3 2079 90.816 37.408 44.691 1.00 0.00 WT1 H ATOM 8989 OH2 TIP3 2080 55.649 43.847 44.133 1.00 0.00 WT1 O ATOM 8990 H1 TIP3 2080 55.485 44.660 44.611 1.00 0.00 WT1 H ATOM 8991 H2 TIP3 2080 56.592 43.703 44.222 1.00 0.00 WT1 H ATOM 8992 OH2 TIP3 2081 27.534 81.235 -3.671 1.00 0.00 WT1 O ATOM 8993 H1 TIP3 2081 26.773 81.808 -3.768 1.00 0.00 WT1 H ATOM 8994 H2 TIP3 2081 27.512 80.675 -4.448 1.00 0.00 WT1 H ATOM 8995 OH2 TIP3 2082 31.113 86.295 -7.093 1.00 0.00 WT1 O ATOM 8996 H1 TIP3 2082 30.605 86.180 -7.896 1.00 0.00 WT1 H ATOM 8997 H2 TIP3 2082 30.486 86.136 -6.387 1.00 0.00 WT1 H ATOM 8998 OH2 TIP3 2083 28.435 54.694 60.665 1.00 0.00 WT1 O ATOM 8999 H1 TIP3 2083 28.221 55.048 61.529 1.00 0.00 WT1 H ATOM 9000 H2 TIP3 2083 27.701 54.956 60.110 1.00 0.00 WT1 H ATOM 9001 OH2 TIP3 2084 38.889 15.882 7.111 1.00 0.00 WT1 O ATOM 9002 H1 TIP3 2084 39.211 15.474 6.307 1.00 0.00 WT1 H ATOM 9003 H2 TIP3 2084 39.565 15.697 7.762 1.00 0.00 WT1 H ATOM 9004 OH2 TIP3 2086 87.967 54.883 57.153 1.00 0.00 WT1 O ATOM 9005 H1 TIP3 2086 87.485 55.449 57.755 1.00 0.00 WT1 H ATOM 9006 H2 TIP3 2086 88.203 54.118 57.678 1.00 0.00 WT1 H ATOM 9007 OH2 TIP3 2087 71.226 95.679 10.031 1.00 0.00 WT1 O ATOM 9008 H1 TIP3 2087 72.030 95.368 9.615 1.00 0.00 WT1 H ATOM 9009 H2 TIP3 2087 70.522 95.321 9.490 1.00 0.00 WT1 H ATOM 9010 OH2 TIP3 2088 78.825 36.123 -9.498 1.00 0.00 WT1 O ATOM 9011 H1 TIP3 2088 78.160 35.912 -8.842 1.00 0.00 WT1 H ATOM 9012 H2 TIP3 2088 79.557 35.541 -9.294 1.00 0.00 WT1 H ATOM 9013 OH2 TIP3 2089 79.463 84.102 -9.322 1.00 0.00 WT1 O ATOM 9014 H1 TIP3 2089 80.174 84.694 -9.569 1.00 0.00 WT1 H ATOM 9015 H2 TIP3 2089 79.853 83.229 -9.362 1.00 0.00 WT1 H ATOM 9016 OH2 TIP3 2090 69.590 94.117 7.928 1.00 0.00 WT1 O ATOM 9017 H1 TIP3 2090 68.702 93.761 7.886 1.00 0.00 WT1 H ATOM 9018 H2 TIP3 2090 69.546 94.932 7.428 1.00 0.00 WT1 H ATOM 9019 OH2 TIP3 2091 44.294 34.399 7.828 1.00 0.00 WT1 O ATOM 9020 H1 TIP3 2091 44.065 34.219 8.740 1.00 0.00 WT1 H ATOM 9021 H2 TIP3 2091 44.764 35.232 7.858 1.00 0.00 WT1 H ATOM 9022 OH2 TIP3 2092 35.137 69.623 66.197 1.00 0.00 WT1 O ATOM 9023 H1 TIP3 2092 34.798 69.732 67.085 1.00 0.00 WT1 H ATOM 9024 H2 TIP3 2092 35.657 68.821 66.234 1.00 0.00 WT1 H ATOM 9025 OH2 TIP3 2093 62.274 53.781 26.772 1.00 0.00 WT1 O ATOM 9026 H1 TIP3 2093 61.857 52.989 27.111 1.00 0.00 WT1 H ATOM 9027 H2 TIP3 2093 61.547 54.317 26.454 1.00 0.00 WT1 H ATOM 9028 OH2 TIP3 2094 46.965 46.492 23.404 1.00 0.00 WT1 O ATOM 9029 H1 TIP3 2094 47.301 46.523 22.508 1.00 0.00 WT1 H ATOM 9030 H2 TIP3 2094 46.266 47.147 23.421 1.00 0.00 WT1 H ATOM 9031 OH2 TIP3 2095 30.901 26.752 0.042 1.00 0.00 WT1 O ATOM 9032 H1 TIP3 2095 30.348 26.114 -0.409 1.00 0.00 WT1 H ATOM 9033 H2 TIP3 2095 30.917 27.510 -0.541 1.00 0.00 WT1 H ATOM 9034 OH2 TIP3 2096 74.986 61.691 38.235 1.00 0.00 WT1 O ATOM 9035 H1 TIP3 2096 75.157 62.501 38.715 1.00 0.00 WT1 H ATOM 9036 H2 TIP3 2096 75.179 60.995 38.863 1.00 0.00 WT1 H ATOM 9037 OH2 TIP3 2098 39.734 4.111 30.754 1.00 0.00 WT1 O ATOM 9038 H1 TIP3 2098 39.437 4.277 31.649 1.00 0.00 WT1 H ATOM 9039 H2 TIP3 2098 40.659 3.882 30.847 1.00 0.00 WT1 H ATOM 9040 OH2 TIP3 2100 27.367 15.404 40.305 1.00 0.00 WT1 O ATOM 9041 H1 TIP3 2100 27.859 14.932 39.633 1.00 0.00 WT1 H ATOM 9042 H2 TIP3 2100 27.973 15.475 41.042 1.00 0.00 WT1 H ATOM 9043 OH2 TIP3 2102 51.171 10.990 -7.154 1.00 0.00 WT1 O ATOM 9044 H1 TIP3 2102 52.027 11.393 -7.009 1.00 0.00 WT1 H ATOM 9045 H2 TIP3 2102 50.718 11.079 -6.316 1.00 0.00 WT1 H ATOM 9046 OH2 TIP3 2103 30.238 79.565 -16.159 1.00 0.00 WT1 O ATOM 9047 H1 TIP3 2103 30.005 80.483 -16.023 1.00 0.00 WT1 H ATOM 9048 H2 TIP3 2103 29.759 79.092 -15.478 1.00 0.00 WT1 H ATOM 9049 OH2 TIP3 2104 48.422 89.660 32.151 1.00 0.00 WT1 O ATOM 9050 H1 TIP3 2104 47.969 88.948 31.700 1.00 0.00 WT1 H ATOM 9051 H2 TIP3 2104 49.101 89.225 32.668 1.00 0.00 WT1 H ATOM 9052 OH2 TIP3 2105 33.010 10.999 -19.499 1.00 0.00 WT1 O ATOM 9053 H1 TIP3 2105 32.523 10.247 -19.163 1.00 0.00 WT1 H ATOM 9054 H2 TIP3 2105 33.308 10.725 -20.366 1.00 0.00 WT1 H ATOM 9055 OH2 TIP3 2106 77.364 19.705 7.311 1.00 0.00 WT1 O ATOM 9056 H1 TIP3 2106 76.517 20.070 7.055 1.00 0.00 WT1 H ATOM 9057 H2 TIP3 2106 77.455 18.915 6.779 1.00 0.00 WT1 H ATOM 9058 OH2 TIP3 2107 76.453 14.667 -6.886 1.00 0.00 WT1 O ATOM 9059 H1 TIP3 2107 76.599 15.299 -7.590 1.00 0.00 WT1 H ATOM 9060 H2 TIP3 2107 76.111 13.890 -7.328 1.00 0.00 WT1 H ATOM 9061 OH2 TIP3 2108 57.128 54.901 -10.289 1.00 0.00 WT1 O ATOM 9062 H1 TIP3 2108 56.524 55.084 -9.570 1.00 0.00 WT1 H ATOM 9063 H2 TIP3 2108 57.689 54.199 -9.959 1.00 0.00 WT1 H ATOM 9064 OH2 TIP3 2109 30.820 80.569 16.701 1.00 0.00 WT1 O ATOM 9065 H1 TIP3 2109 30.042 80.417 17.237 1.00 0.00 WT1 H ATOM 9066 H2 TIP3 2109 31.534 80.651 17.334 1.00 0.00 WT1 H ATOM 9067 OH2 TIP3 2110 29.953 34.272 17.775 1.00 0.00 WT1 O ATOM 9068 H1 TIP3 2110 30.253 35.096 17.392 1.00 0.00 WT1 H ATOM 9069 H2 TIP3 2110 30.582 34.089 18.474 1.00 0.00 WT1 H ATOM 9070 OH2 TIP3 2112 51.520 57.770 -16.464 1.00 0.00 WT1 O ATOM 9071 H1 TIP3 2112 51.595 57.536 -17.389 1.00 0.00 WT1 H ATOM 9072 H2 TIP3 2112 51.589 58.724 -16.451 1.00 0.00 WT1 H ATOM 9073 OH2 TIP3 2113 46.981 2.260 57.562 1.00 0.00 WT1 O ATOM 9074 H1 TIP3 2113 46.812 3.201 57.524 1.00 0.00 WT1 H ATOM 9075 H2 TIP3 2113 46.447 1.949 58.292 1.00 0.00 WT1 H ATOM 9076 OH2 TIP3 2114 77.085 55.383 -11.014 1.00 0.00 WT1 O ATOM 9077 H1 TIP3 2114 78.015 55.153 -11.015 1.00 0.00 WT1 H ATOM 9078 H2 TIP3 2114 76.636 54.564 -10.805 1.00 0.00 WT1 H ATOM 9079 OH2 TIP3 2115 42.106 52.301 12.404 1.00 0.00 WT1 O ATOM 9080 H1 TIP3 2115 41.820 52.609 13.264 1.00 0.00 WT1 H ATOM 9081 H2 TIP3 2115 42.844 52.867 12.180 1.00 0.00 WT1 H ATOM 9082 OH2 TIP3 2116 71.355 79.231 55.257 1.00 0.00 WT1 O ATOM 9083 H1 TIP3 2116 71.774 79.902 55.796 1.00 0.00 WT1 H ATOM 9084 H2 TIP3 2116 70.435 79.251 55.522 1.00 0.00 WT1 H ATOM 9085 OH2 TIP3 2117 31.269 58.186 -4.502 1.00 0.00 WT1 O ATOM 9086 H1 TIP3 2117 31.617 58.515 -3.673 1.00 0.00 WT1 H ATOM 9087 H2 TIP3 2117 30.534 57.628 -4.249 1.00 0.00 WT1 H ATOM 9088 OH2 TIP3 2118 70.285 39.043 19.943 1.00 0.00 WT1 O ATOM 9089 H1 TIP3 2118 70.357 38.967 18.992 1.00 0.00 WT1 H ATOM 9090 H2 TIP3 2118 69.806 39.860 20.083 1.00 0.00 WT1 H ATOM 9091 OH2 TIP3 2119 86.404 0.511 38.763 1.00 0.00 WT1 O ATOM 9092 H1 TIP3 2119 87.342 0.365 38.881 1.00 0.00 WT1 H ATOM 9093 H2 TIP3 2119 86.287 1.451 38.903 1.00 0.00 WT1 H ATOM 9094 OH2 TIP3 2120 75.348 65.893 3.672 1.00 0.00 WT1 O ATOM 9095 H1 TIP3 2120 74.514 66.178 3.297 1.00 0.00 WT1 H ATOM 9096 H2 TIP3 2120 75.272 64.940 3.730 1.00 0.00 WT1 H ATOM 9097 OH2 TIP3 2121 41.006 87.527 11.433 1.00 0.00 WT1 O ATOM 9098 H1 TIP3 2121 41.829 87.038 11.469 1.00 0.00 WT1 H ATOM 9099 H2 TIP3 2121 40.403 86.947 10.969 1.00 0.00 WT1 H ATOM 9100 OH2 TIP3 2122 59.730 79.295 -5.850 1.00 0.00 WT1 O ATOM 9101 H1 TIP3 2122 60.055 79.803 -6.594 1.00 0.00 WT1 H ATOM 9102 H2 TIP3 2122 60.460 79.282 -5.231 1.00 0.00 WT1 H ATOM 9103 OH2 TIP3 2123 49.499 85.084 24.778 1.00 0.00 WT1 O ATOM 9104 H1 TIP3 2123 48.865 85.127 24.063 1.00 0.00 WT1 H ATOM 9105 H2 TIP3 2123 49.247 84.307 25.277 1.00 0.00 WT1 H ATOM 9106 OH2 TIP3 2124 35.382 0.517 59.029 1.00 0.00 WT1 O ATOM 9107 H1 TIP3 2124 35.759 1.397 59.041 1.00 0.00 WT1 H ATOM 9108 H2 TIP3 2124 35.432 0.222 59.938 1.00 0.00 WT1 H ATOM 9109 OH2 TIP3 2125 64.005 88.919 15.912 1.00 0.00 WT1 O ATOM 9110 H1 TIP3 2125 64.431 88.716 16.745 1.00 0.00 WT1 H ATOM 9111 H2 TIP3 2125 63.671 88.077 15.602 1.00 0.00 WT1 H ATOM 9112 OH2 TIP3 2126 83.374 28.063 46.784 1.00 0.00 WT1 O ATOM 9113 H1 TIP3 2126 83.884 28.343 46.024 1.00 0.00 WT1 H ATOM 9114 H2 TIP3 2126 82.613 27.617 46.412 1.00 0.00 WT1 H ATOM 9115 OH2 TIP3 2127 53.512 91.220 12.036 1.00 0.00 WT1 O ATOM 9116 H1 TIP3 2127 54.435 91.217 12.290 1.00 0.00 WT1 H ATOM 9117 H2 TIP3 2127 53.210 90.330 12.218 1.00 0.00 WT1 H ATOM 9118 OH2 TIP3 2128 41.627 80.254 57.579 1.00 0.00 WT1 O ATOM 9119 H1 TIP3 2128 41.572 81.133 57.956 1.00 0.00 WT1 H ATOM 9120 H2 TIP3 2128 42.483 80.230 57.151 1.00 0.00 WT1 H ATOM 9121 OH2 TIP3 2129 33.884 33.925 56.209 1.00 0.00 WT1 O ATOM 9122 H1 TIP3 2129 34.080 34.591 56.868 1.00 0.00 WT1 H ATOM 9123 H2 TIP3 2129 33.410 34.398 55.525 1.00 0.00 WT1 H ATOM 9124 OH2 TIP3 2130 73.641 54.047 55.034 1.00 0.00 WT1 O ATOM 9125 H1 TIP3 2130 73.198 54.857 54.782 1.00 0.00 WT1 H ATOM 9126 H2 TIP3 2130 74.137 53.793 54.255 1.00 0.00 WT1 H ATOM 9127 OH2 TIP3 2131 30.101 57.470 0.972 1.00 0.00 WT1 O ATOM 9128 H1 TIP3 2131 30.284 57.057 0.128 1.00 0.00 WT1 H ATOM 9129 H2 TIP3 2131 30.965 57.676 1.330 1.00 0.00 WT1 H ATOM 9130 OH2 TIP3 2132 61.217 48.380 -6.852 1.00 0.00 WT1 O ATOM 9131 H1 TIP3 2132 60.749 48.813 -7.566 1.00 0.00 WT1 H ATOM 9132 H2 TIP3 2132 60.691 48.564 -6.074 1.00 0.00 WT1 H ATOM 9133 OH2 TIP3 2133 23.735 5.900 31.532 1.00 0.00 WT1 O ATOM 9134 H1 TIP3 2133 23.930 6.687 32.040 1.00 0.00 WT1 H ATOM 9135 H2 TIP3 2133 24.428 5.862 30.873 1.00 0.00 WT1 H ATOM 9136 OH2 TIP3 2134 22.421 51.550 22.634 1.00 0.00 WT1 O ATOM 9137 H1 TIP3 2134 21.675 52.149 22.661 1.00 0.00 WT1 H ATOM 9138 H2 TIP3 2134 23.073 51.953 23.208 1.00 0.00 WT1 H ATOM 9139 OH2 TIP3 2135 22.292 42.623 2.133 1.00 0.00 WT1 O ATOM 9140 H1 TIP3 2135 21.692 42.921 1.449 1.00 0.00 WT1 H ATOM 9141 H2 TIP3 2135 21.721 42.332 2.843 1.00 0.00 WT1 H ATOM 9142 OH2 TIP3 2136 29.889 62.997 -19.841 1.00 0.00 WT1 O ATOM 9143 H1 TIP3 2136 28.960 62.877 -19.645 1.00 0.00 WT1 H ATOM 9144 H2 TIP3 2136 30.155 63.739 -19.298 1.00 0.00 WT1 H ATOM 9145 OH2 TIP3 2137 26.537 29.832 -7.937 1.00 0.00 WT1 O ATOM 9146 H1 TIP3 2137 27.079 30.338 -8.544 1.00 0.00 WT1 H ATOM 9147 H2 TIP3 2137 25.957 30.479 -7.537 1.00 0.00 WT1 H ATOM 9148 OH2 TIP3 2138 88.416 17.441 8.151 1.00 0.00 WT1 O ATOM 9149 H1 TIP3 2138 88.944 18.171 8.474 1.00 0.00 WT1 H ATOM 9150 H2 TIP3 2138 87.643 17.855 7.767 1.00 0.00 WT1 H ATOM 9151 OH2 TIP3 2139 26.124 35.680 60.012 1.00 0.00 WT1 O ATOM 9152 H1 TIP3 2139 26.675 36.221 59.447 1.00 0.00 WT1 H ATOM 9153 H2 TIP3 2139 25.491 35.278 59.417 1.00 0.00 WT1 H ATOM 9154 OH2 TIP3 2140 36.373 45.921 35.010 1.00 0.00 WT1 O ATOM 9155 H1 TIP3 2140 37.227 45.790 35.422 1.00 0.00 WT1 H ATOM 9156 H2 TIP3 2140 36.349 45.281 34.298 1.00 0.00 WT1 H ATOM 9157 OH2 TIP3 2141 31.026 12.937 66.426 1.00 0.00 WT1 O ATOM 9158 H1 TIP3 2141 31.108 13.832 66.097 1.00 0.00 WT1 H ATOM 9159 H2 TIP3 2141 31.842 12.780 66.902 1.00 0.00 WT1 H ATOM 9160 OH2 TIP3 2143 38.505 26.529 -10.601 1.00 0.00 WT1 O ATOM 9161 H1 TIP3 2143 38.971 27.324 -10.341 1.00 0.00 WT1 H ATOM 9162 H2 TIP3 2143 39.087 25.815 -10.341 1.00 0.00 WT1 H ATOM 9163 OH2 TIP3 2144 29.731 94.605 11.138 1.00 0.00 WT1 O ATOM 9164 H1 TIP3 2144 29.266 93.944 11.650 1.00 0.00 WT1 H ATOM 9165 H2 TIP3 2144 29.147 95.363 11.137 1.00 0.00 WT1 H ATOM 9166 OH2 TIP3 2145 78.594 93.946 58.318 1.00 0.00 WT1 O ATOM 9167 H1 TIP3 2145 77.891 94.537 58.048 1.00 0.00 WT1 H ATOM 9168 H2 TIP3 2145 79.288 94.089 57.675 1.00 0.00 WT1 H ATOM 9169 OH2 TIP3 2146 90.090 67.703 -3.968 1.00 0.00 WT1 O ATOM 9170 H1 TIP3 2146 90.047 68.209 -3.156 1.00 0.00 WT1 H ATOM 9171 H2 TIP3 2146 89.520 66.950 -3.811 1.00 0.00 WT1 H ATOM 9172 OH2 TIP3 2147 85.458 59.297 62.530 1.00 0.00 WT1 O ATOM 9173 H1 TIP3 2147 86.067 59.143 61.808 1.00 0.00 WT1 H ATOM 9174 H2 TIP3 2147 85.151 60.194 62.398 1.00 0.00 WT1 H ATOM 9175 OH2 TIP3 2148 46.886 10.121 30.598 1.00 0.00 WT1 O ATOM 9176 H1 TIP3 2148 46.918 10.332 29.666 1.00 0.00 WT1 H ATOM 9177 H2 TIP3 2148 47.311 9.266 30.665 1.00 0.00 WT1 H ATOM 9178 OH2 TIP3 2149 62.031 91.566 0.607 1.00 0.00 WT1 O ATOM 9179 H1 TIP3 2149 61.910 90.899 -0.068 1.00 0.00 WT1 H ATOM 9180 H2 TIP3 2149 61.145 91.870 0.805 1.00 0.00 WT1 H ATOM 9181 OH2 TIP3 2150 40.057 66.103 12.039 1.00 0.00 WT1 O ATOM 9182 H1 TIP3 2150 39.795 65.208 11.825 1.00 0.00 WT1 H ATOM 9183 H2 TIP3 2150 40.857 66.247 11.535 1.00 0.00 WT1 H ATOM 9184 OH2 TIP3 2151 25.145 68.993 36.240 1.00 0.00 WT1 O ATOM 9185 H1 TIP3 2151 24.537 69.671 35.946 1.00 0.00 WT1 H ATOM 9186 H2 TIP3 2151 24.702 68.169 36.038 1.00 0.00 WT1 H ATOM 9187 OH2 TIP3 2152 46.027 61.281 -3.446 1.00 0.00 WT1 O ATOM 9188 H1 TIP3 2152 46.102 61.400 -2.499 1.00 0.00 WT1 H ATOM 9189 H2 TIP3 2152 46.335 60.388 -3.601 1.00 0.00 WT1 H ATOM 9190 OH2 TIP3 2153 39.572 33.303 28.694 1.00 0.00 WT1 O ATOM 9191 H1 TIP3 2153 40.493 33.423 28.923 1.00 0.00 WT1 H ATOM 9192 H2 TIP3 2153 39.258 34.184 28.491 1.00 0.00 WT1 H ATOM 9193 OH2 TIP3 2154 43.940 51.492 7.895 1.00 0.00 WT1 O ATOM 9194 H1 TIP3 2154 44.221 50.997 7.127 1.00 0.00 WT1 H ATOM 9195 H2 TIP3 2154 44.738 51.912 8.216 1.00 0.00 WT1 H ATOM 9196 OH2 TIP3 2155 47.887 95.765 16.921 1.00 0.00 WT1 O ATOM 9197 H1 TIP3 2155 47.257 95.044 16.918 1.00 0.00 WT1 H ATOM 9198 H2 TIP3 2155 48.720 95.355 17.153 1.00 0.00 WT1 H ATOM 9199 OH2 TIP3 2156 55.101 39.508 22.182 1.00 0.00 WT1 O ATOM 9200 H1 TIP3 2156 55.454 40.099 22.847 1.00 0.00 WT1 H ATOM 9201 H2 TIP3 2156 55.846 39.315 21.613 1.00 0.00 WT1 H ATOM 9202 OH2 TIP3 2157 29.892 50.045 53.929 1.00 0.00 WT1 O ATOM 9203 H1 TIP3 2157 28.949 49.984 53.779 1.00 0.00 WT1 H ATOM 9204 H2 TIP3 2157 30.122 49.219 54.353 1.00 0.00 WT1 H ATOM 9205 OH2 TIP3 2158 35.228 74.072 -9.978 1.00 0.00 WT1 O ATOM 9206 H1 TIP3 2158 35.602 73.353 -10.488 1.00 0.00 WT1 H ATOM 9207 H2 TIP3 2158 35.656 74.857 -10.320 1.00 0.00 WT1 H ATOM 9208 OH2 TIP3 2160 67.717 68.169 32.374 1.00 0.00 WT1 O ATOM 9209 H1 TIP3 2160 67.086 68.001 33.073 1.00 0.00 WT1 H ATOM 9210 H2 TIP3 2160 67.306 67.810 31.588 1.00 0.00 WT1 H ATOM 9211 OH2 TIP3 2161 85.326 36.986 37.523 1.00 0.00 WT1 O ATOM 9212 H1 TIP3 2161 85.875 37.770 37.526 1.00 0.00 WT1 H ATOM 9213 H2 TIP3 2161 85.944 36.261 37.433 1.00 0.00 WT1 H ATOM 9214 OH2 TIP3 2162 79.205 67.443 25.915 1.00 0.00 WT1 O ATOM 9215 H1 TIP3 2162 80.008 67.222 25.443 1.00 0.00 WT1 H ATOM 9216 H2 TIP3 2162 78.594 66.740 25.691 1.00 0.00 WT1 H ATOM 9217 OH2 TIP3 2163 38.176 78.333 12.792 1.00 0.00 WT1 O ATOM 9218 H1 TIP3 2163 38.419 79.237 12.994 1.00 0.00 WT1 H ATOM 9219 H2 TIP3 2163 37.539 78.099 13.467 1.00 0.00 WT1 H ATOM 9220 OH2 TIP3 2165 52.069 19.364 7.333 1.00 0.00 WT1 O ATOM 9221 H1 TIP3 2165 52.303 19.469 8.255 1.00 0.00 WT1 H ATOM 9222 H2 TIP3 2165 51.641 18.508 7.290 1.00 0.00 WT1 H ATOM 9223 OH2 TIP3 2166 24.899 53.120 30.572 1.00 0.00 WT1 O ATOM 9224 H1 TIP3 2166 24.732 53.080 29.630 1.00 0.00 WT1 H ATOM 9225 H2 TIP3 2166 25.707 52.621 30.694 1.00 0.00 WT1 H ATOM 9226 OH2 TIP3 2167 37.249 38.692 58.395 1.00 0.00 WT1 O ATOM 9227 H1 TIP3 2167 37.112 39.612 58.172 1.00 0.00 WT1 H ATOM 9228 H2 TIP3 2167 36.395 38.390 58.703 1.00 0.00 WT1 H ATOM 9229 OH2 TIP3 2168 49.937 16.896 -14.272 1.00 0.00 WT1 O ATOM 9230 H1 TIP3 2168 49.364 16.577 -14.970 1.00 0.00 WT1 H ATOM 9231 H2 TIP3 2168 50.822 16.703 -14.581 1.00 0.00 WT1 H ATOM 9232 OH2 TIP3 2169 26.285 43.087 5.667 1.00 0.00 WT1 O ATOM 9233 H1 TIP3 2169 25.877 43.863 5.282 1.00 0.00 WT1 H ATOM 9234 H2 TIP3 2169 26.554 43.366 6.542 1.00 0.00 WT1 H ATOM 9235 OH2 TIP3 2170 72.342 73.456 -0.015 1.00 0.00 WT1 O ATOM 9236 H1 TIP3 2170 71.580 73.941 0.300 1.00 0.00 WT1 H ATOM 9237 H2 TIP3 2170 72.507 73.809 -0.889 1.00 0.00 WT1 H ATOM 9238 OH2 TIP3 2171 49.665 85.519 37.145 1.00 0.00 WT1 O ATOM 9239 H1 TIP3 2171 48.944 85.203 37.690 1.00 0.00 WT1 H ATOM 9240 H2 TIP3 2171 50.409 85.582 37.744 1.00 0.00 WT1 H ATOM 9241 OH2 TIP3 2172 69.153 73.802 36.040 1.00 0.00 WT1 O ATOM 9242 H1 TIP3 2172 68.271 73.451 36.159 1.00 0.00 WT1 H ATOM 9243 H2 TIP3 2172 69.046 74.751 36.109 1.00 0.00 WT1 H ATOM 9244 OH2 TIP3 2173 61.238 87.383 9.669 1.00 0.00 WT1 O ATOM 9245 H1 TIP3 2173 60.710 86.743 10.147 1.00 0.00 WT1 H ATOM 9246 H2 TIP3 2173 62.124 87.020 9.684 1.00 0.00 WT1 H ATOM 9247 OH2 TIP3 2176 41.062 56.568 -17.895 1.00 0.00 WT1 O ATOM 9248 H1 TIP3 2176 41.500 57.381 -17.642 1.00 0.00 WT1 H ATOM 9249 H2 TIP3 2176 41.152 56.534 -18.847 1.00 0.00 WT1 H ATOM 9250 OH2 TIP3 2177 21.123 42.357 11.680 1.00 0.00 WT1 O ATOM 9251 H1 TIP3 2177 20.701 43.145 12.023 1.00 0.00 WT1 H ATOM 9252 H2 TIP3 2177 21.570 42.651 10.886 1.00 0.00 WT1 H ATOM 9253 OH2 TIP3 2178 27.513 42.090 35.008 1.00 0.00 WT1 O ATOM 9254 H1 TIP3 2178 28.047 42.595 34.394 1.00 0.00 WT1 H ATOM 9255 H2 TIP3 2178 26.619 42.180 34.679 1.00 0.00 WT1 H ATOM 9256 OH2 TIP3 2180 66.242 34.804 47.725 1.00 0.00 WT1 O ATOM 9257 H1 TIP3 2180 65.752 35.470 47.243 1.00 0.00 WT1 H ATOM 9258 H2 TIP3 2180 65.659 34.548 48.440 1.00 0.00 WT1 H ATOM 9259 OH2 TIP3 2181 20.946 36.141 47.738 1.00 0.00 WT1 O ATOM 9260 H1 TIP3 2181 21.610 36.237 47.056 1.00 0.00 WT1 H ATOM 9261 H2 TIP3 2181 20.334 36.860 47.580 1.00 0.00 WT1 H ATOM 9262 OH2 TIP3 2182 83.337 61.692 41.541 1.00 0.00 WT1 O ATOM 9263 H1 TIP3 2182 83.240 60.828 41.942 1.00 0.00 WT1 H ATOM 9264 H2 TIP3 2182 83.104 61.558 40.622 1.00 0.00 WT1 H ATOM 9265 OH2 TIP3 2183 86.644 60.894 44.316 1.00 0.00 WT1 O ATOM 9266 H1 TIP3 2183 86.990 60.467 43.533 1.00 0.00 WT1 H ATOM 9267 H2 TIP3 2183 87.271 60.674 45.006 1.00 0.00 WT1 H ATOM 9268 OH2 TIP3 2184 37.077 74.328 12.775 1.00 0.00 WT1 O ATOM 9269 H1 TIP3 2184 36.983 74.636 13.676 1.00 0.00 WT1 H ATOM 9270 H2 TIP3 2184 37.855 74.781 12.447 1.00 0.00 WT1 H ATOM 9271 OH2 TIP3 2185 56.467 86.250 21.049 1.00 0.00 WT1 O ATOM 9272 H1 TIP3 2185 55.513 86.324 21.064 1.00 0.00 WT1 H ATOM 9273 H2 TIP3 2185 56.634 85.308 21.015 1.00 0.00 WT1 H ATOM 9274 OH2 TIP3 2186 33.792 5.245 59.692 1.00 0.00 WT1 O ATOM 9275 H1 TIP3 2186 33.487 4.919 60.539 1.00 0.00 WT1 H ATOM 9276 H2 TIP3 2186 34.172 6.102 59.887 1.00 0.00 WT1 H ATOM 9277 OH2 TIP3 2187 39.243 78.715 -7.518 1.00 0.00 WT1 O ATOM 9278 H1 TIP3 2187 39.937 78.197 -7.109 1.00 0.00 WT1 H ATOM 9279 H2 TIP3 2187 39.331 79.585 -7.128 1.00 0.00 WT1 H ATOM 9280 OH2 TIP3 2188 38.523 24.424 -5.728 1.00 0.00 WT1 O ATOM 9281 H1 TIP3 2188 38.799 24.637 -4.836 1.00 0.00 WT1 H ATOM 9282 H2 TIP3 2188 38.877 25.132 -6.265 1.00 0.00 WT1 H ATOM 9283 OH2 TIP3 2189 64.759 6.937 3.239 1.00 0.00 WT1 O ATOM 9284 H1 TIP3 2189 64.182 7.537 3.712 1.00 0.00 WT1 H ATOM 9285 H2 TIP3 2189 64.216 6.168 3.067 1.00 0.00 WT1 H ATOM 9286 OH2 TIP3 2190 54.758 44.850 -9.539 1.00 0.00 WT1 O ATOM 9287 H1 TIP3 2190 55.555 44.808 -9.010 1.00 0.00 WT1 H ATOM 9288 H2 TIP3 2190 54.178 44.194 -9.153 1.00 0.00 WT1 H ATOM 9289 OH2 TIP3 2191 78.080 42.976 45.533 1.00 0.00 WT1 O ATOM 9290 H1 TIP3 2191 78.103 43.716 46.140 1.00 0.00 WT1 H ATOM 9291 H2 TIP3 2191 77.963 42.209 46.094 1.00 0.00 WT1 H ATOM 9292 OH2 TIP3 2192 67.159 38.895 55.480 1.00 0.00 WT1 O ATOM 9293 H1 TIP3 2192 67.537 38.042 55.263 1.00 0.00 WT1 H ATOM 9294 H2 TIP3 2192 67.139 39.367 54.648 1.00 0.00 WT1 H ATOM 9295 OH2 TIP3 2193 22.852 34.007 36.673 1.00 0.00 WT1 O ATOM 9296 H1 TIP3 2193 23.683 34.172 36.227 1.00 0.00 WT1 H ATOM 9297 H2 TIP3 2193 22.680 34.810 37.164 1.00 0.00 WT1 H ATOM 9298 OH2 TIP3 2194 55.930 21.976 -0.077 1.00 0.00 WT1 O ATOM 9299 H1 TIP3 2194 55.964 22.764 0.465 1.00 0.00 WT1 H ATOM 9300 H2 TIP3 2194 55.075 22.016 -0.506 1.00 0.00 WT1 H ATOM 9301 OH2 TIP3 2195 50.486 18.323 15.026 1.00 0.00 WT1 O ATOM 9302 H1 TIP3 2195 49.558 18.388 15.248 1.00 0.00 WT1 H ATOM 9303 H2 TIP3 2195 50.584 18.863 14.242 1.00 0.00 WT1 H ATOM 9304 OH2 TIP3 2196 77.997 44.226 -17.781 1.00 0.00 WT1 O ATOM 9305 H1 TIP3 2196 77.610 44.920 -18.315 1.00 0.00 WT1 H ATOM 9306 H2 TIP3 2196 78.381 44.685 -17.034 1.00 0.00 WT1 H ATOM 9307 OH2 TIP3 2197 67.789 43.133 43.841 1.00 0.00 WT1 O ATOM 9308 H1 TIP3 2197 67.200 43.345 43.117 1.00 0.00 WT1 H ATOM 9309 H2 TIP3 2197 68.664 43.164 43.455 1.00 0.00 WT1 H ATOM 9310 OH2 TIP3 2198 41.772 42.581 34.447 1.00 0.00 WT1 O ATOM 9311 H1 TIP3 2198 42.054 43.487 34.323 1.00 0.00 WT1 H ATOM 9312 H2 TIP3 2198 42.279 42.082 33.806 1.00 0.00 WT1 H ATOM 9313 OH2 TIP3 2199 34.331 40.337 -10.776 1.00 0.00 WT1 O ATOM 9314 H1 TIP3 2199 34.721 41.210 -10.797 1.00 0.00 WT1 H ATOM 9315 H2 TIP3 2199 33.880 40.295 -9.933 1.00 0.00 WT1 H ATOM 9316 OH2 TIP3 2200 39.682 7.337 4.055 1.00 0.00 WT1 O ATOM 9317 H1 TIP3 2200 39.855 7.649 4.943 1.00 0.00 WT1 H ATOM 9318 H2 TIP3 2200 40.265 7.855 3.501 1.00 0.00 WT1 H ATOM 9319 OH2 TIP3 2201 38.234 1.677 6.557 1.00 0.00 WT1 O ATOM 9320 H1 TIP3 2201 39.048 1.567 6.064 1.00 0.00 WT1 H ATOM 9321 H2 TIP3 2201 37.739 0.876 6.384 1.00 0.00 WT1 H ATOM 9322 OH2 TIP3 2202 29.895 2.697 0.620 1.00 0.00 WT1 O ATOM 9323 H1 TIP3 2202 30.229 1.886 0.237 1.00 0.00 WT1 H ATOM 9324 H2 TIP3 2202 30.658 3.097 1.038 1.00 0.00 WT1 H ATOM 9325 OH2 TIP3 2203 86.610 84.017 12.285 1.00 0.00 WT1 O ATOM 9326 H1 TIP3 2203 86.397 83.215 11.809 1.00 0.00 WT1 H ATOM 9327 H2 TIP3 2203 85.842 84.576 12.170 1.00 0.00 WT1 H ATOM 9328 OH2 TIP3 2204 32.646 56.022 18.421 1.00 0.00 WT1 O ATOM 9329 H1 TIP3 2204 33.335 55.379 18.254 1.00 0.00 WT1 H ATOM 9330 H2 TIP3 2204 33.102 56.864 18.435 1.00 0.00 WT1 H ATOM 9331 OH2 TIP3 2205 21.499 14.878 -17.793 1.00 0.00 WT1 O ATOM 9332 H1 TIP3 2205 21.381 15.249 -16.919 1.00 0.00 WT1 H ATOM 9333 H2 TIP3 2205 20.912 15.388 -18.351 1.00 0.00 WT1 H ATOM 9334 OH2 TIP3 2206 37.028 88.962 59.372 1.00 0.00 WT1 O ATOM 9335 H1 TIP3 2206 36.731 88.221 59.900 1.00 0.00 WT1 H ATOM 9336 H2 TIP3 2206 36.435 88.973 58.620 1.00 0.00 WT1 H ATOM 9337 OH2 TIP3 2207 79.176 32.962 -0.412 1.00 0.00 WT1 O ATOM 9338 H1 TIP3 2207 79.251 33.473 0.394 1.00 0.00 WT1 H ATOM 9339 H2 TIP3 2207 78.445 32.365 -0.251 1.00 0.00 WT1 H ATOM 9340 OH2 TIP3 2208 83.034 54.617 54.130 1.00 0.00 WT1 O ATOM 9341 H1 TIP3 2208 82.114 54.593 53.865 1.00 0.00 WT1 H ATOM 9342 H2 TIP3 2208 83.520 54.632 53.306 1.00 0.00 WT1 H ATOM 9343 OH2 TIP3 2209 90.598 66.530 51.350 1.00 0.00 WT1 O ATOM 9344 H1 TIP3 2209 90.267 65.643 51.496 1.00 0.00 WT1 H ATOM 9345 H2 TIP3 2209 90.312 66.750 50.463 1.00 0.00 WT1 H ATOM 9346 OH2 TIP3 2210 35.835 93.939 4.113 1.00 0.00 WT1 O ATOM 9347 H1 TIP3 2210 35.053 94.365 4.465 1.00 0.00 WT1 H ATOM 9348 H2 TIP3 2210 36.228 93.499 4.867 1.00 0.00 WT1 H ATOM 9349 OH2 TIP3 2211 81.131 9.594 6.335 1.00 0.00 WT1 O ATOM 9350 H1 TIP3 2211 81.771 9.443 5.639 1.00 0.00 WT1 H ATOM 9351 H2 TIP3 2211 81.365 8.963 7.016 1.00 0.00 WT1 H ATOM 9352 OH2 TIP3 2213 87.781 46.348 -5.165 1.00 0.00 WT1 O ATOM 9353 H1 TIP3 2213 87.507 47.147 -4.715 1.00 0.00 WT1 H ATOM 9354 H2 TIP3 2213 87.832 45.689 -4.473 1.00 0.00 WT1 H ATOM 9355 OH2 TIP3 2214 32.637 19.682 33.620 1.00 0.00 WT1 O ATOM 9356 H1 TIP3 2214 31.898 19.492 34.198 1.00 0.00 WT1 H ATOM 9357 H2 TIP3 2214 33.306 20.049 34.199 1.00 0.00 WT1 H ATOM 9358 OH2 TIP3 2215 88.565 27.233 -0.329 1.00 0.00 WT1 O ATOM 9359 H1 TIP3 2215 87.986 26.699 0.215 1.00 0.00 WT1 H ATOM 9360 H2 TIP3 2215 89.346 27.364 0.209 1.00 0.00 WT1 H ATOM 9361 OH2 TIP3 2216 37.544 61.781 10.119 1.00 0.00 WT1 O ATOM 9362 H1 TIP3 2216 38.056 62.392 10.649 1.00 0.00 WT1 H ATOM 9363 H2 TIP3 2216 38.110 61.015 10.021 1.00 0.00 WT1 H ATOM 9364 OH2 TIP3 2217 40.945 16.450 57.017 1.00 0.00 WT1 O ATOM 9365 H1 TIP3 2217 40.659 15.919 57.760 1.00 0.00 WT1 H ATOM 9366 H2 TIP3 2217 41.895 16.335 56.991 1.00 0.00 WT1 H ATOM 9367 OH2 TIP3 2218 54.054 94.994 -13.740 1.00 0.00 WT1 O ATOM 9368 H1 TIP3 2218 53.207 95.283 -13.402 1.00 0.00 WT1 H ATOM 9369 H2 TIP3 2218 54.011 94.038 -13.711 1.00 0.00 WT1 H ATOM 9370 OH2 TIP3 2219 55.122 16.849 28.117 1.00 0.00 WT1 O ATOM 9371 H1 TIP3 2219 54.269 17.069 28.490 1.00 0.00 WT1 H ATOM 9372 H2 TIP3 2219 55.480 17.688 27.825 1.00 0.00 WT1 H ATOM 9373 OH2 TIP3 2220 89.113 16.284 64.805 1.00 0.00 WT1 O ATOM 9374 H1 TIP3 2220 89.439 17.144 64.542 1.00 0.00 WT1 H ATOM 9375 H2 TIP3 2220 88.166 16.400 64.884 1.00 0.00 WT1 H ATOM 9376 OH2 TIP3 2221 25.635 72.966 40.556 1.00 0.00 WT1 O ATOM 9377 H1 TIP3 2221 25.450 72.587 39.697 1.00 0.00 WT1 H ATOM 9378 H2 TIP3 2221 25.567 72.228 41.163 1.00 0.00 WT1 H ATOM 9379 OH2 TIP3 2223 43.601 48.060 8.319 1.00 0.00 WT1 O ATOM 9380 H1 TIP3 2223 43.985 48.923 8.473 1.00 0.00 WT1 H ATOM 9381 H2 TIP3 2223 44.354 47.473 8.246 1.00 0.00 WT1 H ATOM 9382 OH2 TIP3 2224 27.285 2.118 26.628 1.00 0.00 WT1 O ATOM 9383 H1 TIP3 2224 27.281 1.217 26.951 1.00 0.00 WT1 H ATOM 9384 H2 TIP3 2224 28.210 2.362 26.609 1.00 0.00 WT1 H ATOM 9385 OH2 TIP3 2225 86.356 89.641 9.242 1.00 0.00 WT1 O ATOM 9386 H1 TIP3 2225 87.021 88.954 9.285 1.00 0.00 WT1 H ATOM 9387 H2 TIP3 2225 85.647 89.257 8.726 1.00 0.00 WT1 H ATOM 9388 OH2 TIP3 2226 48.948 9.973 38.029 1.00 0.00 WT1 O ATOM 9389 H1 TIP3 2226 49.654 9.417 37.699 1.00 0.00 WT1 H ATOM 9390 H2 TIP3 2226 49.329 10.422 38.784 1.00 0.00 WT1 H ATOM 9391 OH2 TIP3 2227 63.259 83.732 -13.112 1.00 0.00 WT1 O ATOM 9392 H1 TIP3 2227 63.687 83.814 -12.260 1.00 0.00 WT1 H ATOM 9393 H2 TIP3 2227 63.976 83.765 -13.745 1.00 0.00 WT1 H ATOM 9394 OH2 TIP3 2228 76.459 16.001 2.172 1.00 0.00 WT1 O ATOM 9395 H1 TIP3 2228 76.670 16.861 1.809 1.00 0.00 WT1 H ATOM 9396 H2 TIP3 2228 76.402 15.426 1.409 1.00 0.00 WT1 H ATOM 9397 OH2 TIP3 2229 75.448 85.171 6.703 1.00 0.00 WT1 O ATOM 9398 H1 TIP3 2229 76.251 84.713 6.951 1.00 0.00 WT1 H ATOM 9399 H2 TIP3 2229 74.960 85.261 7.522 1.00 0.00 WT1 H ATOM 9400 OH2 TIP3 2231 47.701 87.212 67.105 1.00 0.00 WT1 O ATOM 9401 H1 TIP3 2231 47.381 87.692 66.341 1.00 0.00 WT1 H ATOM 9402 H2 TIP3 2231 48.230 87.850 67.585 1.00 0.00 WT1 H ATOM 9403 OH2 TIP3 2232 39.671 14.111 54.385 1.00 0.00 WT1 O ATOM 9404 H1 TIP3 2232 40.123 14.950 54.294 1.00 0.00 WT1 H ATOM 9405 H2 TIP3 2232 40.363 13.489 54.609 1.00 0.00 WT1 H ATOM 9406 OH2 TIP3 2233 54.345 80.799 27.244 1.00 0.00 WT1 O ATOM 9407 H1 TIP3 2233 53.993 81.448 26.634 1.00 0.00 WT1 H ATOM 9408 H2 TIP3 2233 53.894 80.975 28.069 1.00 0.00 WT1 H ATOM 9409 OH2 TIP3 2234 80.772 9.284 -3.164 1.00 0.00 WT1 O ATOM 9410 H1 TIP3 2234 80.685 10.189 -2.866 1.00 0.00 WT1 H ATOM 9411 H2 TIP3 2234 81.696 9.195 -3.395 1.00 0.00 WT1 H ATOM 9412 OH2 TIP3 2235 84.848 92.928 44.718 1.00 0.00 WT1 O ATOM 9413 H1 TIP3 2235 84.581 93.227 45.587 1.00 0.00 WT1 H ATOM 9414 H2 TIP3 2235 84.077 93.069 44.169 1.00 0.00 WT1 H ATOM 9415 OH2 TIP3 2236 24.540 12.270 61.271 1.00 0.00 WT1 O ATOM 9416 H1 TIP3 2236 24.780 11.783 62.059 1.00 0.00 WT1 H ATOM 9417 H2 TIP3 2236 24.271 13.130 61.593 1.00 0.00 WT1 H ATOM 9418 OH2 TIP3 2237 59.717 3.773 -16.008 1.00 0.00 WT1 O ATOM 9419 H1 TIP3 2237 58.853 3.623 -15.626 1.00 0.00 WT1 H ATOM 9420 H2 TIP3 2237 60.014 4.594 -15.615 1.00 0.00 WT1 H ATOM 9421 OH2 TIP3 2238 32.321 2.526 56.029 1.00 0.00 WT1 O ATOM 9422 H1 TIP3 2238 31.891 2.207 56.822 1.00 0.00 WT1 H ATOM 9423 H2 TIP3 2238 32.470 3.457 56.194 1.00 0.00 WT1 H ATOM 9424 OH2 TIP3 2240 68.035 72.482 -6.996 1.00 0.00 WT1 O ATOM 9425 H1 TIP3 2240 67.919 71.533 -6.961 1.00 0.00 WT1 H ATOM 9426 H2 TIP3 2240 67.934 72.770 -6.088 1.00 0.00 WT1 H ATOM 9427 OH2 TIP3 2241 85.964 82.144 33.693 1.00 0.00 WT1 O ATOM 9428 H1 TIP3 2241 85.804 81.590 34.457 1.00 0.00 WT1 H ATOM 9429 H2 TIP3 2241 86.824 81.872 33.374 1.00 0.00 WT1 H ATOM 9430 OH2 TIP3 2242 67.352 38.188 7.781 1.00 0.00 WT1 O ATOM 9431 H1 TIP3 2242 66.802 38.796 8.274 1.00 0.00 WT1 H ATOM 9432 H2 TIP3 2242 66.765 37.814 7.123 1.00 0.00 WT1 H ATOM 9433 OH2 TIP3 2243 41.085 1.464 62.587 1.00 0.00 WT1 O ATOM 9434 H1 TIP3 2243 41.913 1.269 63.025 1.00 0.00 WT1 H ATOM 9435 H2 TIP3 2243 40.446 0.899 63.020 1.00 0.00 WT1 H ATOM 9436 OH2 TIP3 2244 87.657 6.434 8.532 1.00 0.00 WT1 O ATOM 9437 H1 TIP3 2244 88.459 6.315 8.024 1.00 0.00 WT1 H ATOM 9438 H2 TIP3 2244 87.889 7.075 9.203 1.00 0.00 WT1 H ATOM 9439 OH2 TIP3 2245 52.828 12.834 -18.021 1.00 0.00 WT1 O ATOM 9440 H1 TIP3 2245 53.493 12.659 -18.687 1.00 0.00 WT1 H ATOM 9441 H2 TIP3 2245 52.197 12.121 -18.118 1.00 0.00 WT1 H ATOM 9442 OH2 TIP3 2246 34.218 46.596 41.050 1.00 0.00 WT1 O ATOM 9443 H1 TIP3 2246 34.890 45.946 40.843 1.00 0.00 WT1 H ATOM 9444 H2 TIP3 2246 34.157 46.582 42.005 1.00 0.00 WT1 H ATOM 9445 OH2 TIP3 2247 61.985 77.729 -0.601 1.00 0.00 WT1 O ATOM 9446 H1 TIP3 2247 61.443 78.505 -0.454 1.00 0.00 WT1 H ATOM 9447 H2 TIP3 2247 61.358 77.031 -0.788 1.00 0.00 WT1 H ATOM 9448 OH2 TIP3 2248 86.831 89.824 0.676 1.00 0.00 WT1 O ATOM 9449 H1 TIP3 2248 86.578 89.673 1.586 1.00 0.00 WT1 H ATOM 9450 H2 TIP3 2248 87.135 90.731 0.658 1.00 0.00 WT1 H ATOM 9451 OH2 TIP3 2249 49.397 82.087 -18.552 1.00 0.00 WT1 O ATOM 9452 H1 TIP3 2249 48.783 82.789 -18.767 1.00 0.00 WT1 H ATOM 9453 H2 TIP3 2249 50.242 82.528 -18.458 1.00 0.00 WT1 H ATOM 9454 OH2 TIP3 2250 59.251 75.338 -16.031 1.00 0.00 WT1 O ATOM 9455 H1 TIP3 2250 58.970 75.156 -15.134 1.00 0.00 WT1 H ATOM 9456 H2 TIP3 2250 59.444 74.477 -16.402 1.00 0.00 WT1 H ATOM 9457 OH2 TIP3 2251 26.130 5.812 30.257 1.00 0.00 WT1 O ATOM 9458 H1 TIP3 2251 26.359 4.899 30.084 1.00 0.00 WT1 H ATOM 9459 H2 TIP3 2251 26.598 6.308 29.587 1.00 0.00 WT1 H ATOM 9460 OH2 TIP3 2252 35.472 35.770 66.392 1.00 0.00 WT1 O ATOM 9461 H1 TIP3 2252 35.552 35.115 67.085 1.00 0.00 WT1 H ATOM 9462 H2 TIP3 2252 34.529 35.904 66.295 1.00 0.00 WT1 H ATOM 9463 OH2 TIP3 2253 60.086 54.871 25.824 1.00 0.00 WT1 O ATOM 9464 H1 TIP3 2253 59.599 55.544 26.301 1.00 0.00 WT1 H ATOM 9465 H2 TIP3 2253 59.595 54.750 25.012 1.00 0.00 WT1 H ATOM 9466 OH2 TIP3 2254 87.018 96.331 61.963 1.00 0.00 WT1 O ATOM 9467 H1 TIP3 2254 87.336 95.656 62.561 1.00 0.00 WT1 H ATOM 9468 H2 TIP3 2254 87.811 96.711 61.584 1.00 0.00 WT1 H ATOM 9469 OH2 TIP3 2255 45.214 37.718 0.141 1.00 0.00 WT1 O ATOM 9470 H1 TIP3 2255 44.656 37.972 0.875 1.00 0.00 WT1 H ATOM 9471 H2 TIP3 2255 46.047 38.160 0.308 1.00 0.00 WT1 H ATOM 9472 OH2 TIP3 2256 85.192 77.371 55.021 1.00 0.00 WT1 O ATOM 9473 H1 TIP3 2256 84.898 78.280 54.974 1.00 0.00 WT1 H ATOM 9474 H2 TIP3 2256 86.047 77.417 55.451 1.00 0.00 WT1 H ATOM 9475 OH2 TIP3 2257 46.657 77.120 -3.552 1.00 0.00 WT1 O ATOM 9476 H1 TIP3 2257 47.049 76.689 -4.312 1.00 0.00 WT1 H ATOM 9477 H2 TIP3 2257 47.392 77.272 -2.958 1.00 0.00 WT1 H ATOM 9478 OH2 TIP3 2258 66.677 67.610 -8.915 1.00 0.00 WT1 O ATOM 9479 H1 TIP3 2258 66.056 67.891 -8.243 1.00 0.00 WT1 H ATOM 9480 H2 TIP3 2258 66.141 67.151 -9.561 1.00 0.00 WT1 H ATOM 9481 OH2 TIP3 2259 23.847 88.937 37.179 1.00 0.00 WT1 O ATOM 9482 H1 TIP3 2259 24.687 89.200 36.803 1.00 0.00 WT1 H ATOM 9483 H2 TIP3 2259 24.046 88.148 37.682 1.00 0.00 WT1 H ATOM 9484 OH2 TIP3 2260 31.148 40.771 3.236 1.00 0.00 WT1 O ATOM 9485 H1 TIP3 2260 31.359 39.840 3.309 1.00 0.00 WT1 H ATOM 9486 H2 TIP3 2260 31.911 41.157 2.805 1.00 0.00 WT1 H ATOM 9487 OH2 TIP3 2261 56.885 74.407 36.299 1.00 0.00 WT1 O ATOM 9488 H1 TIP3 2261 56.029 74.235 35.907 1.00 0.00 WT1 H ATOM 9489 H2 TIP3 2261 56.712 74.462 37.239 1.00 0.00 WT1 H ATOM 9490 OH2 TIP3 2263 64.205 19.464 45.897 1.00 0.00 WT1 O ATOM 9491 H1 TIP3 2263 63.749 19.651 46.717 1.00 0.00 WT1 H ATOM 9492 H2 TIP3 2263 64.034 20.229 45.348 1.00 0.00 WT1 H ATOM 9493 OH2 TIP3 2264 70.531 69.738 44.972 1.00 0.00 WT1 O ATOM 9494 H1 TIP3 2264 70.823 69.776 44.061 1.00 0.00 WT1 H ATOM 9495 H2 TIP3 2264 71.309 69.963 45.483 1.00 0.00 WT1 H ATOM 9496 OH2 TIP3 2265 62.364 8.251 -10.978 1.00 0.00 WT1 O ATOM 9497 H1 TIP3 2265 62.387 8.065 -10.040 1.00 0.00 WT1 H ATOM 9498 H2 TIP3 2265 61.447 8.133 -11.224 1.00 0.00 WT1 H ATOM 9499 OH2 TIP3 2266 40.345 92.703 -15.223 1.00 0.00 WT1 O ATOM 9500 H1 TIP3 2266 40.984 91.990 -15.228 1.00 0.00 WT1 H ATOM 9501 H2 TIP3 2266 39.528 92.290 -14.944 1.00 0.00 WT1 H ATOM 9502 OH2 TIP3 2267 30.942 70.373 35.333 1.00 0.00 WT1 O ATOM 9503 H1 TIP3 2267 31.224 69.899 34.550 1.00 0.00 WT1 H ATOM 9504 H2 TIP3 2267 31.137 69.778 36.057 1.00 0.00 WT1 H ATOM 9505 OH2 TIP3 2268 80.258 49.438 50.324 1.00 0.00 WT1 O ATOM 9506 H1 TIP3 2268 80.538 50.313 50.055 1.00 0.00 WT1 H ATOM 9507 H2 TIP3 2268 80.048 48.991 49.504 1.00 0.00 WT1 H ATOM 9508 OH2 TIP3 2269 78.135 19.664 34.032 1.00 0.00 WT1 O ATOM 9509 H1 TIP3 2269 78.789 19.542 34.720 1.00 0.00 WT1 H ATOM 9510 H2 TIP3 2269 77.564 18.899 34.105 1.00 0.00 WT1 H ATOM 9511 OH2 TIP3 2270 53.968 14.718 -13.363 1.00 0.00 WT1 O ATOM 9512 H1 TIP3 2270 53.221 14.332 -13.821 1.00 0.00 WT1 H ATOM 9513 H2 TIP3 2270 54.107 15.559 -13.798 1.00 0.00 WT1 H ATOM 9514 OH2 TIP3 2271 61.103 0.051 51.150 1.00 0.00 WT1 O ATOM 9515 H1 TIP3 2271 61.075 0.903 51.587 1.00 0.00 WT1 H ATOM 9516 H2 TIP3 2271 61.141 0.261 50.217 1.00 0.00 WT1 H ATOM 9517 OH2 TIP3 2272 64.448 39.364 32.749 1.00 0.00 WT1 O ATOM 9518 H1 TIP3 2272 64.808 39.475 31.869 1.00 0.00 WT1 H ATOM 9519 H2 TIP3 2272 63.578 39.759 32.704 1.00 0.00 WT1 H ATOM 9520 OH2 TIP3 2273 80.819 83.366 64.448 1.00 0.00 WT1 O ATOM 9521 H1 TIP3 2273 79.975 83.527 64.026 1.00 0.00 WT1 H ATOM 9522 H2 TIP3 2273 80.954 84.128 65.012 1.00 0.00 WT1 H ATOM 9523 OH2 TIP3 2274 79.478 43.076 42.171 1.00 0.00 WT1 O ATOM 9524 H1 TIP3 2274 78.567 43.294 41.973 1.00 0.00 WT1 H ATOM 9525 H2 TIP3 2274 79.659 42.298 41.644 1.00 0.00 WT1 H ATOM 9526 OH2 TIP3 2275 39.289 16.978 0.992 1.00 0.00 WT1 O ATOM 9527 H1 TIP3 2275 39.725 16.880 0.146 1.00 0.00 WT1 H ATOM 9528 H2 TIP3 2275 38.356 16.899 0.792 1.00 0.00 WT1 H ATOM 9529 OH2 TIP3 2276 51.711 32.151 60.576 1.00 0.00 WT1 O ATOM 9530 H1 TIP3 2276 50.986 32.642 60.963 1.00 0.00 WT1 H ATOM 9531 H2 TIP3 2276 51.717 32.418 59.657 1.00 0.00 WT1 H ATOM 9532 OH2 TIP3 2277 66.240 8.574 -11.154 1.00 0.00 WT1 O ATOM 9533 H1 TIP3 2277 65.951 8.859 -10.287 1.00 0.00 WT1 H ATOM 9534 H2 TIP3 2277 67.139 8.276 -11.022 1.00 0.00 WT1 H ATOM 9535 OH2 TIP3 2278 64.028 7.240 11.851 1.00 0.00 WT1 O ATOM 9536 H1 TIP3 2278 64.647 6.655 11.415 1.00 0.00 WT1 H ATOM 9537 H2 TIP3 2278 63.322 7.359 11.216 1.00 0.00 WT1 H ATOM 9538 OH2 TIP3 2279 24.290 22.722 23.090 1.00 0.00 WT1 O ATOM 9539 H1 TIP3 2279 23.641 22.894 22.407 1.00 0.00 WT1 H ATOM 9540 H2 TIP3 2279 24.943 22.166 22.665 1.00 0.00 WT1 H ATOM 9541 OH2 TIP3 2280 37.723 21.553 10.834 1.00 0.00 WT1 O ATOM 9542 H1 TIP3 2280 37.922 21.657 9.904 1.00 0.00 WT1 H ATOM 9543 H2 TIP3 2280 37.819 22.432 11.200 1.00 0.00 WT1 H ATOM 9544 OH2 TIP3 2281 69.787 29.374 45.332 1.00 0.00 WT1 O ATOM 9545 H1 TIP3 2281 70.232 28.531 45.418 1.00 0.00 WT1 H ATOM 9546 H2 TIP3 2281 70.009 29.845 46.135 1.00 0.00 WT1 H ATOM 9547 OH2 TIP3 2282 58.899 42.765 48.814 1.00 0.00 WT1 O ATOM 9548 H1 TIP3 2282 58.493 43.536 48.418 1.00 0.00 WT1 H ATOM 9549 H2 TIP3 2282 59.283 42.290 48.077 1.00 0.00 WT1 H ATOM 9550 OH2 TIP3 2283 34.467 25.532 10.086 1.00 0.00 WT1 O ATOM 9551 H1 TIP3 2283 35.404 25.370 10.200 1.00 0.00 WT1 H ATOM 9552 H2 TIP3 2283 34.421 26.198 9.399 1.00 0.00 WT1 H ATOM 9553 OH2 TIP3 2284 59.694 12.804 -17.521 1.00 0.00 WT1 O ATOM 9554 H1 TIP3 2284 59.446 12.807 -16.596 1.00 0.00 WT1 H ATOM 9555 H2 TIP3 2284 58.956 13.217 -17.969 1.00 0.00 WT1 H ATOM 9556 OH2 TIP3 2285 56.404 65.700 55.417 1.00 0.00 WT1 O ATOM 9557 H1 TIP3 2285 56.633 65.342 54.559 1.00 0.00 WT1 H ATOM 9558 H2 TIP3 2285 56.622 65.002 56.034 1.00 0.00 WT1 H ATOM 9559 OH2 TIP3 2286 66.483 34.457 0.543 1.00 0.00 WT1 O ATOM 9560 H1 TIP3 2286 66.381 35.402 0.654 1.00 0.00 WT1 H ATOM 9561 H2 TIP3 2286 67.109 34.366 -0.175 1.00 0.00 WT1 H ATOM 9562 OH2 TIP3 2287 56.976 26.877 -17.362 1.00 0.00 WT1 O ATOM 9563 H1 TIP3 2287 56.643 27.434 -16.659 1.00 0.00 WT1 H ATOM 9564 H2 TIP3 2287 57.773 27.316 -17.659 1.00 0.00 WT1 H ATOM 9565 OH2 TIP3 2288 38.747 77.054 6.515 1.00 0.00 WT1 O ATOM 9566 H1 TIP3 2288 39.563 77.447 6.826 1.00 0.00 WT1 H ATOM 9567 H2 TIP3 2288 38.687 77.320 5.598 1.00 0.00 WT1 H ATOM 9568 OH2 TIP3 2289 69.404 20.421 35.233 1.00 0.00 WT1 O ATOM 9569 H1 TIP3 2289 70.181 19.906 35.016 1.00 0.00 WT1 H ATOM 9570 H2 TIP3 2289 69.328 21.054 34.518 1.00 0.00 WT1 H ATOM 9571 OH2 TIP3 2290 47.164 40.256 -16.106 1.00 0.00 WT1 O ATOM 9572 H1 TIP3 2290 46.955 39.650 -15.396 1.00 0.00 WT1 H ATOM 9573 H2 TIP3 2290 48.102 40.423 -16.011 1.00 0.00 WT1 H ATOM 9574 OH2 TIP3 2291 82.699 64.037 19.916 1.00 0.00 WT1 O ATOM 9575 H1 TIP3 2291 82.697 63.116 20.174 1.00 0.00 WT1 H ATOM 9576 H2 TIP3 2291 81.774 64.260 19.811 1.00 0.00 WT1 H ATOM 9577 OH2 TIP3 2292 35.625 2.183 5.824 1.00 0.00 WT1 O ATOM 9578 H1 TIP3 2292 35.118 2.883 6.235 1.00 0.00 WT1 H ATOM 9579 H2 TIP3 2292 36.527 2.502 5.835 1.00 0.00 WT1 H ATOM 9580 OH2 TIP3 2293 85.991 32.901 38.834 1.00 0.00 WT1 O ATOM 9581 H1 TIP3 2293 86.147 33.633 38.237 1.00 0.00 WT1 H ATOM 9582 H2 TIP3 2293 86.848 32.489 38.938 1.00 0.00 WT1 H ATOM 9583 OH2 TIP3 2294 76.048 24.874 21.668 1.00 0.00 WT1 O ATOM 9584 H1 TIP3 2294 76.585 25.454 22.209 1.00 0.00 WT1 H ATOM 9585 H2 TIP3 2294 76.673 24.445 21.084 1.00 0.00 WT1 H ATOM 9586 OH2 TIP3 2295 88.550 81.726 6.972 1.00 0.00 WT1 O ATOM 9587 H1 TIP3 2295 89.297 81.323 7.414 1.00 0.00 WT1 H ATOM 9588 H2 TIP3 2295 88.889 82.555 6.635 1.00 0.00 WT1 H ATOM 9589 OH2 TIP3 2296 54.030 37.849 3.821 1.00 0.00 WT1 O ATOM 9590 H1 TIP3 2296 54.875 38.263 3.999 1.00 0.00 WT1 H ATOM 9591 H2 TIP3 2296 54.241 36.927 3.672 1.00 0.00 WT1 H ATOM 9592 OH2 TIP3 2298 39.244 46.951 14.266 1.00 0.00 WT1 O ATOM 9593 H1 TIP3 2298 39.747 46.611 13.527 1.00 0.00 WT1 H ATOM 9594 H2 TIP3 2298 39.842 47.554 14.707 1.00 0.00 WT1 H ATOM 9595 OH2 TIP3 2299 47.505 40.007 -4.211 1.00 0.00 WT1 O ATOM 9596 H1 TIP3 2299 47.727 40.604 -3.497 1.00 0.00 WT1 H ATOM 9597 H2 TIP3 2299 46.839 39.427 -3.841 1.00 0.00 WT1 H ATOM 9598 OH2 TIP3 2300 27.045 47.233 16.969 1.00 0.00 WT1 O ATOM 9599 H1 TIP3 2300 26.584 47.891 17.489 1.00 0.00 WT1 H ATOM 9600 H2 TIP3 2300 27.359 47.710 16.201 1.00 0.00 WT1 H ATOM 9601 OH2 TIP3 2301 60.711 18.754 -4.391 1.00 0.00 WT1 O ATOM 9602 H1 TIP3 2301 60.859 19.002 -3.479 1.00 0.00 WT1 H ATOM 9603 H2 TIP3 2301 61.462 18.205 -4.616 1.00 0.00 WT1 H ATOM 9604 OH2 TIP3 2302 78.171 4.170 3.118 1.00 0.00 WT1 O ATOM 9605 H1 TIP3 2302 78.916 4.389 3.677 1.00 0.00 WT1 H ATOM 9606 H2 TIP3 2302 77.750 3.432 3.558 1.00 0.00 WT1 H ATOM 9607 OH2 TIP3 2303 32.518 83.596 38.301 1.00 0.00 WT1 O ATOM 9608 H1 TIP3 2303 31.779 83.699 38.900 1.00 0.00 WT1 H ATOM 9609 H2 TIP3 2303 32.903 82.752 38.537 1.00 0.00 WT1 H ATOM 9610 OH2 TIP3 2305 26.426 33.211 31.148 1.00 0.00 WT1 O ATOM 9611 H1 TIP3 2305 26.427 32.254 31.127 1.00 0.00 WT1 H ATOM 9612 H2 TIP3 2305 25.813 33.466 30.458 1.00 0.00 WT1 H ATOM 9613 OH2 TIP3 2306 62.689 13.838 -13.071 1.00 0.00 WT1 O ATOM 9614 H1 TIP3 2306 63.384 14.483 -12.944 1.00 0.00 WT1 H ATOM 9615 H2 TIP3 2306 61.885 14.356 -13.116 1.00 0.00 WT1 H ATOM 9616 OH2 TIP3 2307 60.130 8.535 -17.109 1.00 0.00 WT1 O ATOM 9617 H1 TIP3 2307 60.926 8.970 -16.804 1.00 0.00 WT1 H ATOM 9618 H2 TIP3 2307 60.325 7.600 -17.039 1.00 0.00 WT1 H ATOM 9619 OH2 TIP3 2308 54.265 12.621 -4.051 1.00 0.00 WT1 O ATOM 9620 H1 TIP3 2308 54.927 12.347 -3.416 1.00 0.00 WT1 H ATOM 9621 H2 TIP3 2308 54.647 13.386 -4.482 1.00 0.00 WT1 H ATOM 9622 OH2 TIP3 2309 36.682 84.221 36.556 1.00 0.00 WT1 O ATOM 9623 H1 TIP3 2309 37.485 83.813 36.230 1.00 0.00 WT1 H ATOM 9624 H2 TIP3 2309 36.048 84.099 35.850 1.00 0.00 WT1 H ATOM 9625 OH2 TIP3 2310 82.721 33.325 -2.565 1.00 0.00 WT1 O ATOM 9626 H1 TIP3 2310 82.064 34.007 -2.703 1.00 0.00 WT1 H ATOM 9627 H2 TIP3 2310 82.393 32.823 -1.819 1.00 0.00 WT1 H ATOM 9628 OH2 TIP3 2311 51.918 51.371 65.148 1.00 0.00 WT1 O ATOM 9629 H1 TIP3 2311 51.324 50.630 65.264 1.00 0.00 WT1 H ATOM 9630 H2 TIP3 2311 52.315 51.228 64.289 1.00 0.00 WT1 H ATOM 9631 OH2 TIP3 2313 85.537 72.146 47.462 1.00 0.00 WT1 O ATOM 9632 H1 TIP3 2313 85.268 71.594 48.195 1.00 0.00 WT1 H ATOM 9633 H2 TIP3 2313 84.930 72.886 47.482 1.00 0.00 WT1 H ATOM 9634 OH2 TIP3 2314 43.005 28.493 34.080 1.00 0.00 WT1 O ATOM 9635 H1 TIP3 2314 43.851 28.936 34.136 1.00 0.00 WT1 H ATOM 9636 H2 TIP3 2314 43.032 27.834 34.773 1.00 0.00 WT1 H ATOM 9637 OH2 TIP3 2315 72.313 4.070 40.589 1.00 0.00 WT1 O ATOM 9638 H1 TIP3 2315 73.213 4.359 40.434 1.00 0.00 WT1 H ATOM 9639 H2 TIP3 2315 72.183 4.186 41.530 1.00 0.00 WT1 H ATOM 9640 OH2 TIP3 2316 32.568 11.338 61.099 1.00 0.00 WT1 O ATOM 9641 H1 TIP3 2316 32.817 11.799 61.900 1.00 0.00 WT1 H ATOM 9642 H2 TIP3 2316 32.176 12.013 60.545 1.00 0.00 WT1 H ATOM 9643 OH2 TIP3 2317 61.839 82.196 25.833 1.00 0.00 WT1 O ATOM 9644 H1 TIP3 2317 61.828 81.836 24.947 1.00 0.00 WT1 H ATOM 9645 H2 TIP3 2317 62.649 81.861 26.219 1.00 0.00 WT1 H ATOM 9646 OH2 TIP3 2318 24.675 72.220 62.317 1.00 0.00 WT1 O ATOM 9647 H1 TIP3 2318 24.671 71.679 61.527 1.00 0.00 WT1 H ATOM 9648 H2 TIP3 2318 24.809 73.111 61.996 1.00 0.00 WT1 H ATOM 9649 OH2 TIP3 2319 86.365 90.249 36.689 1.00 0.00 WT1 O ATOM 9650 H1 TIP3 2319 86.428 89.387 36.279 1.00 0.00 WT1 H ATOM 9651 H2 TIP3 2319 86.853 90.162 37.508 1.00 0.00 WT1 H ATOM 9652 OH2 TIP3 2320 57.860 57.120 -18.453 1.00 0.00 WT1 O ATOM 9653 H1 TIP3 2320 58.774 57.118 -18.170 1.00 0.00 WT1 H ATOM 9654 H2 TIP3 2320 57.863 56.635 -19.279 1.00 0.00 WT1 H ATOM 9655 OH2 TIP3 2321 58.986 50.127 36.195 1.00 0.00 WT1 O ATOM 9656 H1 TIP3 2321 58.524 50.965 36.219 1.00 0.00 WT1 H ATOM 9657 H2 TIP3 2321 58.807 49.780 35.322 1.00 0.00 WT1 H ATOM 9658 OH2 TIP3 2322 72.336 40.783 65.597 1.00 0.00 WT1 O ATOM 9659 H1 TIP3 2322 72.132 41.550 65.062 1.00 0.00 WT1 H ATOM 9660 H2 TIP3 2322 72.542 41.141 66.460 1.00 0.00 WT1 H ATOM 9661 OH2 TIP3 2323 45.966 61.902 -10.613 1.00 0.00 WT1 O ATOM 9662 H1 TIP3 2323 46.063 62.788 -10.264 1.00 0.00 WT1 H ATOM 9663 H2 TIP3 2323 46.259 61.331 -9.903 1.00 0.00 WT1 H ATOM 9664 OH2 TIP3 2324 27.092 1.155 33.423 1.00 0.00 WT1 O ATOM 9665 H1 TIP3 2324 27.400 1.847 32.838 1.00 0.00 WT1 H ATOM 9666 H2 TIP3 2324 26.577 1.614 34.087 1.00 0.00 WT1 H ATOM 9667 OH2 TIP3 2326 45.820 74.216 -4.601 1.00 0.00 WT1 O ATOM 9668 H1 TIP3 2326 45.816 74.130 -3.647 1.00 0.00 WT1 H ATOM 9669 H2 TIP3 2326 46.021 73.337 -4.920 1.00 0.00 WT1 H ATOM 9670 OH2 TIP3 2327 63.419 1.405 43.022 1.00 0.00 WT1 O ATOM 9671 H1 TIP3 2327 63.488 1.625 42.094 1.00 0.00 WT1 H ATOM 9672 H2 TIP3 2327 63.140 0.489 43.032 1.00 0.00 WT1 H ATOM 9673 OH2 TIP3 2329 44.765 78.596 45.640 1.00 0.00 WT1 O ATOM 9674 H1 TIP3 2329 44.962 79.414 45.185 1.00 0.00 WT1 H ATOM 9675 H2 TIP3 2329 43.815 78.606 45.752 1.00 0.00 WT1 H ATOM 9676 OH2 TIP3 2330 73.949 18.931 -11.220 1.00 0.00 WT1 O ATOM 9677 H1 TIP3 2330 73.865 19.610 -11.890 1.00 0.00 WT1 H ATOM 9678 H2 TIP3 2330 74.780 19.124 -10.787 1.00 0.00 WT1 H ATOM 9679 OH2 TIP3 2331 41.586 82.588 59.084 1.00 0.00 WT1 O ATOM 9680 H1 TIP3 2331 42.396 82.579 59.595 1.00 0.00 WT1 H ATOM 9681 H2 TIP3 2331 40.892 82.470 59.732 1.00 0.00 WT1 H ATOM 9682 OH2 TIP3 2332 55.771 31.102 64.820 1.00 0.00 WT1 O ATOM 9683 H1 TIP3 2332 55.912 30.608 64.013 1.00 0.00 WT1 H ATOM 9684 H2 TIP3 2332 55.142 31.782 64.579 1.00 0.00 WT1 H ATOM 9685 OH2 TIP3 2333 53.317 47.323 62.176 1.00 0.00 WT1 O ATOM 9686 H1 TIP3 2333 53.665 46.532 62.589 1.00 0.00 WT1 H ATOM 9687 H2 TIP3 2333 52.716 47.688 62.825 1.00 0.00 WT1 H ATOM 9688 OH2 TIP3 2334 64.023 7.364 61.526 1.00 0.00 WT1 O ATOM 9689 H1 TIP3 2334 63.488 7.461 60.738 1.00 0.00 WT1 H ATOM 9690 H2 TIP3 2334 63.426 7.564 62.247 1.00 0.00 WT1 H ATOM 9691 OH2 TIP3 2335 27.875 29.147 -5.564 1.00 0.00 WT1 O ATOM 9692 H1 TIP3 2335 28.810 29.338 -5.644 1.00 0.00 WT1 H ATOM 9693 H2 TIP3 2335 27.493 29.473 -6.378 1.00 0.00 WT1 H ATOM 9694 OH2 TIP3 2336 52.253 17.434 49.138 1.00 0.00 WT1 O ATOM 9695 H1 TIP3 2336 51.869 16.557 49.157 1.00 0.00 WT1 H ATOM 9696 H2 TIP3 2336 51.643 17.974 49.641 1.00 0.00 WT1 H ATOM 9697 OH2 TIP3 2337 52.509 44.752 21.541 1.00 0.00 WT1 O ATOM 9698 H1 TIP3 2337 53.368 45.175 21.559 1.00 0.00 WT1 H ATOM 9699 H2 TIP3 2337 52.072 45.130 20.778 1.00 0.00 WT1 H ATOM 9700 OH2 TIP3 2338 72.047 35.666 56.932 1.00 0.00 WT1 O ATOM 9701 H1 TIP3 2338 72.945 35.508 56.639 1.00 0.00 WT1 H ATOM 9702 H2 TIP3 2338 71.542 34.945 56.556 1.00 0.00 WT1 H ATOM 9703 OH2 TIP3 2339 63.710 44.328 4.040 1.00 0.00 WT1 O ATOM 9704 H1 TIP3 2339 62.902 44.836 3.966 1.00 0.00 WT1 H ATOM 9705 H2 TIP3 2339 63.596 43.813 4.839 1.00 0.00 WT1 H ATOM 9706 OH2 TIP3 2340 64.989 20.582 14.658 1.00 0.00 WT1 O ATOM 9707 H1 TIP3 2340 64.780 21.333 15.212 1.00 0.00 WT1 H ATOM 9708 H2 TIP3 2340 64.616 20.802 13.804 1.00 0.00 WT1 H ATOM 9709 OH2 TIP3 2341 47.356 55.947 -7.346 1.00 0.00 WT1 O ATOM 9710 H1 TIP3 2341 47.670 56.030 -6.445 1.00 0.00 WT1 H ATOM 9711 H2 TIP3 2341 47.697 56.723 -7.791 1.00 0.00 WT1 H ATOM 9712 OH2 TIP3 2342 88.726 12.360 61.498 1.00 0.00 WT1 O ATOM 9713 H1 TIP3 2342 88.551 13.278 61.291 1.00 0.00 WT1 H ATOM 9714 H2 TIP3 2342 89.452 12.388 62.121 1.00 0.00 WT1 H ATOM 9715 OH2 TIP3 2344 61.804 1.004 -19.969 1.00 0.00 WT1 O ATOM 9716 H1 TIP3 2344 61.885 1.523 -19.169 1.00 0.00 WT1 H ATOM 9717 H2 TIP3 2344 60.968 0.548 -19.875 1.00 0.00 WT1 H ATOM 9718 OH2 TIP3 2345 70.494 43.059 51.161 1.00 0.00 WT1 O ATOM 9719 H1 TIP3 2345 71.184 42.542 51.576 1.00 0.00 WT1 H ATOM 9720 H2 TIP3 2345 70.711 43.045 50.229 1.00 0.00 WT1 H ATOM 9721 OH2 TIP3 2346 27.514 13.163 66.031 1.00 0.00 WT1 O ATOM 9722 H1 TIP3 2346 28.418 13.146 66.344 1.00 0.00 WT1 H ATOM 9723 H2 TIP3 2346 27.540 12.693 65.197 1.00 0.00 WT1 H ATOM 9724 OH2 TIP3 2347 45.674 18.485 46.460 1.00 0.00 WT1 O ATOM 9725 H1 TIP3 2347 45.751 19.074 47.210 1.00 0.00 WT1 H ATOM 9726 H2 TIP3 2347 44.756 18.554 46.195 1.00 0.00 WT1 H ATOM 9727 OH2 TIP3 2348 75.717 8.170 -16.129 1.00 0.00 WT1 O ATOM 9728 H1 TIP3 2348 76.402 7.525 -15.951 1.00 0.00 WT1 H ATOM 9729 H2 TIP3 2348 75.356 7.909 -16.977 1.00 0.00 WT1 H ATOM 9730 OH2 TIP3 2349 45.986 85.566 37.425 1.00 0.00 WT1 O ATOM 9731 H1 TIP3 2349 46.042 86.227 38.116 1.00 0.00 WT1 H ATOM 9732 H2 TIP3 2349 46.635 84.907 37.670 1.00 0.00 WT1 H ATOM 9733 OH2 TIP3 2350 71.868 92.792 61.964 1.00 0.00 WT1 O ATOM 9734 H1 TIP3 2350 72.014 92.475 62.856 1.00 0.00 WT1 H ATOM 9735 H2 TIP3 2350 72.103 93.719 61.997 1.00 0.00 WT1 H ATOM 9736 OH2 TIP3 2351 87.554 23.519 63.638 1.00 0.00 WT1 O ATOM 9737 H1 TIP3 2351 87.666 24.315 64.157 1.00 0.00 WT1 H ATOM 9738 H2 TIP3 2351 87.946 23.730 62.790 1.00 0.00 WT1 H ATOM 9739 OH2 TIP3 2352 53.797 21.932 58.743 1.00 0.00 WT1 O ATOM 9740 H1 TIP3 2352 53.564 21.140 58.260 1.00 0.00 WT1 H ATOM 9741 H2 TIP3 2352 54.083 22.549 58.069 1.00 0.00 WT1 H ATOM 9742 OH2 TIP3 2353 48.099 8.701 41.165 1.00 0.00 WT1 O ATOM 9743 H1 TIP3 2353 48.422 8.241 40.390 1.00 0.00 WT1 H ATOM 9744 H2 TIP3 2353 48.079 9.622 40.906 1.00 0.00 WT1 H ATOM 9745 OH2 TIP3 2354 67.885 72.179 12.600 1.00 0.00 WT1 O ATOM 9746 H1 TIP3 2354 67.614 72.174 13.518 1.00 0.00 WT1 H ATOM 9747 H2 TIP3 2354 68.045 71.258 12.393 1.00 0.00 WT1 H ATOM 9748 OH2 TIP3 2355 62.478 55.844 23.535 1.00 0.00 WT1 O ATOM 9749 H1 TIP3 2355 62.345 54.943 23.242 1.00 0.00 WT1 H ATOM 9750 H2 TIP3 2355 61.610 56.244 23.483 1.00 0.00 WT1 H ATOM 9751 OH2 TIP3 2356 63.391 92.048 33.941 1.00 0.00 WT1 O ATOM 9752 H1 TIP3 2356 63.156 92.453 34.776 1.00 0.00 WT1 H ATOM 9753 H2 TIP3 2356 63.716 91.179 34.179 1.00 0.00 WT1 H ATOM 9754 OH2 TIP3 2357 67.933 77.865 -6.817 1.00 0.00 WT1 O ATOM 9755 H1 TIP3 2357 68.445 77.056 -6.804 1.00 0.00 WT1 H ATOM 9756 H2 TIP3 2357 67.802 78.051 -7.747 1.00 0.00 WT1 H ATOM 9757 OH2 TIP3 2358 71.283 69.094 42.298 1.00 0.00 WT1 O ATOM 9758 H1 TIP3 2358 70.758 69.584 41.666 1.00 0.00 WT1 H ATOM 9759 H2 TIP3 2358 71.143 68.176 42.066 1.00 0.00 WT1 H ATOM 9760 OH2 TIP3 2359 48.805 44.190 -9.171 1.00 0.00 WT1 O ATOM 9761 H1 TIP3 2359 49.665 44.578 -9.334 1.00 0.00 WT1 H ATOM 9762 H2 TIP3 2359 48.304 44.887 -8.747 1.00 0.00 WT1 H ATOM 9763 OH2 TIP3 2360 27.002 88.186 10.066 1.00 0.00 WT1 O ATOM 9764 H1 TIP3 2360 26.082 87.984 10.238 1.00 0.00 WT1 H ATOM 9765 H2 TIP3 2360 27.479 87.752 10.773 1.00 0.00 WT1 H ATOM 9766 OH2 TIP3 2361 25.584 4.635 -17.619 1.00 0.00 WT1 O ATOM 9767 H1 TIP3 2361 24.669 4.670 -17.898 1.00 0.00 WT1 H ATOM 9768 H2 TIP3 2361 26.080 4.544 -18.432 1.00 0.00 WT1 H ATOM 9769 OH2 TIP3 2362 59.030 62.370 -14.619 1.00 0.00 WT1 O ATOM 9770 H1 TIP3 2362 59.102 62.690 -13.720 1.00 0.00 WT1 H ATOM 9771 H2 TIP3 2362 58.089 62.278 -14.766 1.00 0.00 WT1 H ATOM 9772 OH2 TIP3 2363 72.224 36.127 -13.823 1.00 0.00 WT1 O ATOM 9773 H1 TIP3 2363 72.793 36.529 -14.479 1.00 0.00 WT1 H ATOM 9774 H2 TIP3 2363 72.745 36.128 -13.020 1.00 0.00 WT1 H ATOM 9775 OH2 TIP3 2367 39.166 11.013 23.737 1.00 0.00 WT1 O ATOM 9776 H1 TIP3 2367 40.000 10.551 23.810 1.00 0.00 WT1 H ATOM 9777 H2 TIP3 2367 39.408 11.938 23.677 1.00 0.00 WT1 H ATOM 9778 OH2 TIP3 2369 38.772 56.756 42.630 1.00 0.00 WT1 O ATOM 9779 H1 TIP3 2369 38.283 57.278 43.266 1.00 0.00 WT1 H ATOM 9780 H2 TIP3 2369 39.439 57.353 42.292 1.00 0.00 WT1 H ATOM 9781 OH2 TIP3 2370 86.503 49.586 19.726 1.00 0.00 WT1 O ATOM 9782 H1 TIP3 2370 87.320 50.001 20.004 1.00 0.00 WT1 H ATOM 9783 H2 TIP3 2370 86.280 50.020 18.903 1.00 0.00 WT1 H ATOM 9784 OH2 TIP3 2371 37.549 39.519 45.756 1.00 0.00 WT1 O ATOM 9785 H1 TIP3 2371 38.048 40.325 45.625 1.00 0.00 WT1 H ATOM 9786 H2 TIP3 2371 37.558 39.090 44.901 1.00 0.00 WT1 H ATOM 9787 OH2 TIP3 2372 85.419 32.843 66.928 1.00 0.00 WT1 O ATOM 9788 H1 TIP3 2372 85.306 33.622 67.473 1.00 0.00 WT1 H ATOM 9789 H2 TIP3 2372 85.786 33.175 66.109 1.00 0.00 WT1 H ATOM 9790 OH2 TIP3 2373 48.594 45.863 35.450 1.00 0.00 WT1 O ATOM 9791 H1 TIP3 2373 49.372 45.649 34.936 1.00 0.00 WT1 H ATOM 9792 H2 TIP3 2373 48.102 45.043 35.494 1.00 0.00 WT1 H ATOM 9793 OH2 TIP3 2374 44.683 17.958 19.140 1.00 0.00 WT1 O ATOM 9794 H1 TIP3 2374 45.295 18.685 19.255 1.00 0.00 WT1 H ATOM 9795 H2 TIP3 2374 43.859 18.278 19.505 1.00 0.00 WT1 H ATOM 9796 OH2 TIP3 2375 54.360 5.265 40.233 1.00 0.00 WT1 O ATOM 9797 H1 TIP3 2375 54.217 6.210 40.177 1.00 0.00 WT1 H ATOM 9798 H2 TIP3 2375 54.940 5.154 40.986 1.00 0.00 WT1 H ATOM 9799 OH2 TIP3 2376 85.165 63.489 -18.618 1.00 0.00 WT1 O ATOM 9800 H1 TIP3 2376 85.563 64.197 -18.111 1.00 0.00 WT1 H ATOM 9801 H2 TIP3 2376 84.339 63.307 -18.169 1.00 0.00 WT1 H ATOM 9802 OH2 TIP3 2377 62.366 95.052 31.433 1.00 0.00 WT1 O ATOM 9803 H1 TIP3 2377 62.324 94.610 30.585 1.00 0.00 WT1 H ATOM 9804 H2 TIP3 2377 62.085 94.388 32.063 1.00 0.00 WT1 H ATOM 9805 OH2 TIP3 2379 58.372 5.192 -18.580 1.00 0.00 WT1 O ATOM 9806 H1 TIP3 2379 58.613 4.621 -19.309 1.00 0.00 WT1 H ATOM 9807 H2 TIP3 2379 58.633 4.706 -17.798 1.00 0.00 WT1 H ATOM 9808 OH2 TIP3 2380 42.965 12.683 -12.541 1.00 0.00 WT1 O ATOM 9809 H1 TIP3 2380 42.443 12.977 -11.794 1.00 0.00 WT1 H ATOM 9810 H2 TIP3 2380 42.963 13.427 -13.143 1.00 0.00 WT1 H ATOM 9811 OH2 TIP3 2381 46.724 14.209 6.284 1.00 0.00 WT1 O ATOM 9812 H1 TIP3 2381 46.563 13.590 6.996 1.00 0.00 WT1 H ATOM 9813 H2 TIP3 2381 45.925 14.733 6.236 1.00 0.00 WT1 H ATOM 9814 OH2 TIP3 2382 76.532 1.186 36.679 1.00 0.00 WT1 O ATOM 9815 H1 TIP3 2382 76.055 1.458 37.464 1.00 0.00 WT1 H ATOM 9816 H2 TIP3 2382 76.120 0.361 36.422 1.00 0.00 WT1 H ATOM 9817 OH2 TIP3 2383 52.917 82.203 42.922 1.00 0.00 WT1 O ATOM 9818 H1 TIP3 2383 52.670 82.528 42.056 1.00 0.00 WT1 H ATOM 9819 H2 TIP3 2383 53.406 81.400 42.746 1.00 0.00 WT1 H ATOM 9820 OH2 TIP3 2384 78.075 82.159 41.414 1.00 0.00 WT1 O ATOM 9821 H1 TIP3 2384 77.681 81.856 42.233 1.00 0.00 WT1 H ATOM 9822 H2 TIP3 2384 77.375 82.643 40.976 1.00 0.00 WT1 H ATOM 9823 OH2 TIP3 2385 31.694 96.385 -11.728 1.00 0.00 WT1 O ATOM 9824 H1 TIP3 2385 31.078 95.900 -12.276 1.00 0.00 WT1 H ATOM 9825 H2 TIP3 2385 31.529 96.065 -10.841 1.00 0.00 WT1 H ATOM 9826 OH2 TIP3 2386 57.519 73.494 61.007 1.00 0.00 WT1 O ATOM 9827 H1 TIP3 2386 56.964 73.680 60.250 1.00 0.00 WT1 H ATOM 9828 H2 TIP3 2386 58.093 72.786 60.716 1.00 0.00 WT1 H ATOM 9829 OH2 TIP3 2387 80.944 23.872 40.292 1.00 0.00 WT1 O ATOM 9830 H1 TIP3 2387 80.045 23.550 40.229 1.00 0.00 WT1 H ATOM 9831 H2 TIP3 2387 80.995 24.275 41.159 1.00 0.00 WT1 H ATOM 9832 OH2 TIP3 2389 27.184 89.494 39.736 1.00 0.00 WT1 O ATOM 9833 H1 TIP3 2389 27.837 89.076 39.175 1.00 0.00 WT1 H ATOM 9834 H2 TIP3 2389 26.508 88.827 39.856 1.00 0.00 WT1 H ATOM 9835 OH2 TIP3 2390 90.107 53.120 50.207 1.00 0.00 WT1 O ATOM 9836 H1 TIP3 2390 89.174 53.304 50.102 1.00 0.00 WT1 H ATOM 9837 H2 TIP3 2390 90.518 53.523 49.443 1.00 0.00 WT1 H ATOM 9838 OH2 TIP3 2391 58.437 43.530 41.850 1.00 0.00 WT1 O ATOM 9839 H1 TIP3 2391 58.815 44.204 41.285 1.00 0.00 WT1 H ATOM 9840 H2 TIP3 2391 57.556 43.392 41.504 1.00 0.00 WT1 H ATOM 9841 OH2 TIP3 2392 71.955 30.286 30.352 1.00 0.00 WT1 O ATOM 9842 H1 TIP3 2392 72.705 30.749 30.725 1.00 0.00 WT1 H ATOM 9843 H2 TIP3 2392 71.430 30.029 31.110 1.00 0.00 WT1 H ATOM 9844 OH2 TIP3 2393 74.934 1.916 39.159 1.00 0.00 WT1 O ATOM 9845 H1 TIP3 2393 75.286 1.666 40.013 1.00 0.00 WT1 H ATOM 9846 H2 TIP3 2393 73.996 2.030 39.309 1.00 0.00 WT1 H ATOM 9847 OH2 TIP3 2394 89.447 74.844 54.733 1.00 0.00 WT1 O ATOM 9848 H1 TIP3 2394 90.332 75.207 54.717 1.00 0.00 WT1 H ATOM 9849 H2 TIP3 2394 89.411 74.332 55.541 1.00 0.00 WT1 H ATOM 9850 OH2 TIP3 2395 29.716 47.512 32.270 1.00 0.00 WT1 O ATOM 9851 H1 TIP3 2395 29.812 46.734 31.720 1.00 0.00 WT1 H ATOM 9852 H2 TIP3 2395 28.911 47.359 32.765 1.00 0.00 WT1 H ATOM 9853 OH2 TIP3 2396 22.951 61.630 -6.058 1.00 0.00 WT1 O ATOM 9854 H1 TIP3 2396 23.310 62.332 -5.515 1.00 0.00 WT1 H ATOM 9855 H2 TIP3 2396 22.015 61.822 -6.111 1.00 0.00 WT1 H ATOM 9856 OH2 TIP3 2397 68.908 30.787 63.959 1.00 0.00 WT1 O ATOM 9857 H1 TIP3 2397 69.108 31.513 64.550 1.00 0.00 WT1 H ATOM 9858 H2 TIP3 2397 69.340 31.019 63.137 1.00 0.00 WT1 H ATOM 9859 OH2 TIP3 2398 53.782 12.159 -6.790 1.00 0.00 WT1 O ATOM 9860 H1 TIP3 2398 54.089 11.929 -5.913 1.00 0.00 WT1 H ATOM 9861 H2 TIP3 2398 54.566 12.117 -7.337 1.00 0.00 WT1 H ATOM 9862 OH2 TIP3 2399 73.032 53.515 18.115 1.00 0.00 WT1 O ATOM 9863 H1 TIP3 2399 72.885 53.567 17.170 1.00 0.00 WT1 H ATOM 9864 H2 TIP3 2399 72.589 52.709 18.382 1.00 0.00 WT1 H ATOM 9865 OH2 TIP3 2400 30.582 57.879 -10.088 1.00 0.00 WT1 O ATOM 9866 H1 TIP3 2400 30.593 57.795 -9.135 1.00 0.00 WT1 H ATOM 9867 H2 TIP3 2400 31.378 57.434 -10.378 1.00 0.00 WT1 H ATOM 9868 OH2 TIP3 2401 43.783 0.978 -12.324 1.00 0.00 WT1 O ATOM 9869 H1 TIP3 2401 43.920 1.743 -11.766 1.00 0.00 WT1 H ATOM 9870 H2 TIP3 2401 42.864 1.033 -12.585 1.00 0.00 WT1 H ATOM 9871 OH2 TIP3 2402 81.269 40.358 -5.926 1.00 0.00 WT1 O ATOM 9872 H1 TIP3 2402 81.804 39.969 -5.234 1.00 0.00 WT1 H ATOM 9873 H2 TIP3 2402 81.304 41.299 -5.756 1.00 0.00 WT1 H ATOM 9874 OH2 TIP3 2403 44.093 37.342 32.695 1.00 0.00 WT1 O ATOM 9875 H1 TIP3 2403 43.881 36.548 32.204 1.00 0.00 WT1 H ATOM 9876 H2 TIP3 2403 44.825 37.732 32.216 1.00 0.00 WT1 H ATOM 9877 OH2 TIP3 2404 46.386 38.502 4.073 1.00 0.00 WT1 O ATOM 9878 H1 TIP3 2404 46.413 38.781 4.989 1.00 0.00 WT1 H ATOM 9879 H2 TIP3 2404 46.312 37.548 4.115 1.00 0.00 WT1 H ATOM 9880 OH2 TIP3 2405 40.436 8.596 51.363 1.00 0.00 WT1 O ATOM 9881 H1 TIP3 2405 41.104 8.042 51.767 1.00 0.00 WT1 H ATOM 9882 H2 TIP3 2405 40.637 9.479 51.673 1.00 0.00 WT1 H ATOM 9883 OH2 TIP3 2406 53.614 34.424 -15.470 1.00 0.00 WT1 O ATOM 9884 H1 TIP3 2406 53.018 34.882 -14.876 1.00 0.00 WT1 H ATOM 9885 H2 TIP3 2406 53.064 33.774 -15.908 1.00 0.00 WT1 H ATOM 9886 OH2 TIP3 2407 28.115 20.066 3.503 1.00 0.00 WT1 O ATOM 9887 H1 TIP3 2407 29.043 19.910 3.331 1.00 0.00 WT1 H ATOM 9888 H2 TIP3 2407 27.802 20.535 2.730 1.00 0.00 WT1 H ATOM 9889 OH2 TIP3 2408 54.552 19.111 31.371 1.00 0.00 WT1 O ATOM 9890 H1 TIP3 2408 53.901 18.789 30.748 1.00 0.00 WT1 H ATOM 9891 H2 TIP3 2408 55.342 19.243 30.847 1.00 0.00 WT1 H ATOM 9892 OH2 TIP3 2409 73.863 12.160 60.762 1.00 0.00 WT1 O ATOM 9893 H1 TIP3 2409 73.379 12.949 60.517 1.00 0.00 WT1 H ATOM 9894 H2 TIP3 2409 73.826 11.605 59.983 1.00 0.00 WT1 H ATOM 9895 OH2 TIP3 2410 85.072 42.586 -5.432 1.00 0.00 WT1 O ATOM 9896 H1 TIP3 2410 85.332 41.817 -5.941 1.00 0.00 WT1 H ATOM 9897 H2 TIP3 2410 84.123 42.502 -5.340 1.00 0.00 WT1 H ATOM 9898 OH2 TIP3 2411 68.874 26.251 30.607 1.00 0.00 WT1 O ATOM 9899 H1 TIP3 2411 68.553 26.423 29.722 1.00 0.00 WT1 H ATOM 9900 H2 TIP3 2411 69.827 26.301 30.531 1.00 0.00 WT1 H ATOM 9901 OH2 TIP3 2412 37.446 13.241 1.505 1.00 0.00 WT1 O ATOM 9902 H1 TIP3 2412 36.526 13.376 1.736 1.00 0.00 WT1 H ATOM 9903 H2 TIP3 2412 37.512 12.303 1.324 1.00 0.00 WT1 H ATOM 9904 OH2 TIP3 2413 29.847 22.376 53.215 1.00 0.00 WT1 O ATOM 9905 H1 TIP3 2413 29.478 21.927 52.454 1.00 0.00 WT1 H ATOM 9906 H2 TIP3 2413 30.776 22.144 53.202 1.00 0.00 WT1 H ATOM 9907 OH2 TIP3 2414 46.540 74.813 -16.877 1.00 0.00 WT1 O ATOM 9908 H1 TIP3 2414 46.513 73.881 -17.092 1.00 0.00 WT1 H ATOM 9909 H2 TIP3 2414 46.486 75.256 -17.724 1.00 0.00 WT1 H ATOM 9910 OH2 TIP3 2415 85.794 52.718 9.287 1.00 0.00 WT1 O ATOM 9911 H1 TIP3 2415 86.455 53.389 9.118 1.00 0.00 WT1 H ATOM 9912 H2 TIP3 2415 86.298 51.929 9.485 1.00 0.00 WT1 H ATOM 9913 OH2 TIP3 2416 86.447 42.853 -8.081 1.00 0.00 WT1 O ATOM 9914 H1 TIP3 2416 86.134 43.579 -7.541 1.00 0.00 WT1 H ATOM 9915 H2 TIP3 2416 86.512 43.221 -8.963 1.00 0.00 WT1 H ATOM 9916 OH2 TIP3 2417 63.261 6.946 65.238 1.00 0.00 WT1 O ATOM 9917 H1 TIP3 2417 63.362 7.404 66.072 1.00 0.00 WT1 H ATOM 9918 H2 TIP3 2417 62.394 7.204 64.925 1.00 0.00 WT1 H ATOM 9919 OH2 TIP3 2418 75.627 24.100 -15.181 1.00 0.00 WT1 O ATOM 9920 H1 TIP3 2418 75.102 23.606 -15.811 1.00 0.00 WT1 H ATOM 9921 H2 TIP3 2418 76.302 23.484 -14.895 1.00 0.00 WT1 H ATOM 9922 OH2 TIP3 2419 25.612 45.453 41.573 1.00 0.00 WT1 O ATOM 9923 H1 TIP3 2419 25.987 44.616 41.301 1.00 0.00 WT1 H ATOM 9924 H2 TIP3 2419 24.755 45.225 41.935 1.00 0.00 WT1 H ATOM 9925 OH2 TIP3 2420 74.097 45.937 -3.605 1.00 0.00 WT1 O ATOM 9926 H1 TIP3 2420 73.462 45.671 -2.940 1.00 0.00 WT1 H ATOM 9927 H2 TIP3 2420 74.907 46.083 -3.117 1.00 0.00 WT1 H ATOM 9928 OH2 TIP3 2421 68.635 45.994 43.289 1.00 0.00 WT1 O ATOM 9929 H1 TIP3 2421 67.931 46.390 42.775 1.00 0.00 WT1 H ATOM 9930 H2 TIP3 2421 68.193 45.616 44.049 1.00 0.00 WT1 H ATOM 9931 OH2 TIP3 2422 38.428 91.460 31.244 1.00 0.00 WT1 O ATOM 9932 H1 TIP3 2422 38.615 92.390 31.375 1.00 0.00 WT1 H ATOM 9933 H2 TIP3 2422 39.080 91.173 30.604 1.00 0.00 WT1 H ATOM 9934 OH2 TIP3 2423 43.825 62.026 8.125 1.00 0.00 WT1 O ATOM 9935 H1 TIP3 2423 44.017 62.617 8.853 1.00 0.00 WT1 H ATOM 9936 H2 TIP3 2423 44.462 61.318 8.217 1.00 0.00 WT1 H ATOM 9937 OH2 TIP3 2425 37.399 19.376 -11.668 1.00 0.00 WT1 O ATOM 9938 H1 TIP3 2425 36.644 19.938 -11.492 1.00 0.00 WT1 H ATOM 9939 H2 TIP3 2425 37.427 18.772 -10.926 1.00 0.00 WT1 H ATOM 9940 OH2 TIP3 2426 87.501 75.201 10.989 1.00 0.00 WT1 O ATOM 9941 H1 TIP3 2426 87.838 74.596 10.328 1.00 0.00 WT1 H ATOM 9942 H2 TIP3 2426 87.591 76.067 10.590 1.00 0.00 WT1 H ATOM 9943 OH2 TIP3 2427 26.430 21.500 21.180 1.00 0.00 WT1 O ATOM 9944 H1 TIP3 2427 27.057 21.357 20.471 1.00 0.00 WT1 H ATOM 9945 H2 TIP3 2427 26.753 22.280 21.632 1.00 0.00 WT1 H ATOM 9946 OH2 TIP3 2429 80.323 90.659 37.498 1.00 0.00 WT1 O ATOM 9947 H1 TIP3 2429 80.861 90.128 38.085 1.00 0.00 WT1 H ATOM 9948 H2 TIP3 2429 79.868 90.022 36.947 1.00 0.00 WT1 H ATOM 9949 OH2 TIP3 2430 57.046 59.025 55.128 1.00 0.00 WT1 O ATOM 9950 H1 TIP3 2430 57.771 59.626 55.299 1.00 0.00 WT1 H ATOM 9951 H2 TIP3 2430 56.765 59.235 54.237 1.00 0.00 WT1 H ATOM 9952 OH2 TIP3 2431 32.984 89.763 37.065 1.00 0.00 WT1 O ATOM 9953 H1 TIP3 2431 33.681 89.310 36.590 1.00 0.00 WT1 H ATOM 9954 H2 TIP3 2431 32.515 89.067 37.525 1.00 0.00 WT1 H ATOM 9955 OH2 TIP3 2432 76.165 3.104 15.140 1.00 0.00 WT1 O ATOM 9956 H1 TIP3 2432 76.932 3.600 14.856 1.00 0.00 WT1 H ATOM 9957 H2 TIP3 2432 76.415 2.187 15.025 1.00 0.00 WT1 H ATOM 9958 OH2 TIP3 2433 82.650 62.688 45.872 1.00 0.00 WT1 O ATOM 9959 H1 TIP3 2433 83.571 62.846 45.660 1.00 0.00 WT1 H ATOM 9960 H2 TIP3 2433 82.313 62.197 45.122 1.00 0.00 WT1 H ATOM 9961 OH2 TIP3 2434 37.562 23.785 57.043 1.00 0.00 WT1 O ATOM 9962 H1 TIP3 2434 37.362 23.024 57.588 1.00 0.00 WT1 H ATOM 9963 H2 TIP3 2434 38.488 23.685 56.822 1.00 0.00 WT1 H ATOM 9964 OH2 TIP3 2435 70.179 16.295 59.473 1.00 0.00 WT1 O ATOM 9965 H1 TIP3 2435 69.570 16.214 58.740 1.00 0.00 WT1 H ATOM 9966 H2 TIP3 2435 71.003 16.573 59.072 1.00 0.00 WT1 H ATOM 9967 OH2 TIP3 2436 48.744 23.152 66.200 1.00 0.00 WT1 O ATOM 9968 H1 TIP3 2436 49.093 23.992 65.901 1.00 0.00 WT1 H ATOM 9969 H2 TIP3 2436 49.108 22.510 65.590 1.00 0.00 WT1 H ATOM 9970 OH2 TIP3 2437 36.621 18.491 30.565 1.00 0.00 WT1 O ATOM 9971 H1 TIP3 2437 36.237 17.672 30.251 1.00 0.00 WT1 H ATOM 9972 H2 TIP3 2437 35.869 19.038 30.790 1.00 0.00 WT1 H ATOM 9973 OH2 TIP3 2438 43.718 28.971 2.842 1.00 0.00 WT1 O ATOM 9974 H1 TIP3 2438 43.612 28.090 2.481 1.00 0.00 WT1 H ATOM 9975 H2 TIP3 2438 43.414 29.554 2.146 1.00 0.00 WT1 H ATOM 9976 OH2 TIP3 2439 35.118 33.391 -13.923 1.00 0.00 WT1 O ATOM 9977 H1 TIP3 2439 34.987 33.235 -12.988 1.00 0.00 WT1 H ATOM 9978 H2 TIP3 2439 35.569 34.234 -13.964 1.00 0.00 WT1 H ATOM 9979 OH2 TIP3 2440 26.694 32.231 25.097 1.00 0.00 WT1 O ATOM 9980 H1 TIP3 2440 27.544 32.524 24.769 1.00 0.00 WT1 H ATOM 9981 H2 TIP3 2440 26.081 32.434 24.391 1.00 0.00 WT1 H ATOM 9982 OH2 TIP3 2441 29.980 29.392 30.536 1.00 0.00 WT1 O ATOM 9983 H1 TIP3 2441 29.797 29.613 31.449 1.00 0.00 WT1 H ATOM 9984 H2 TIP3 2441 30.787 29.865 30.331 1.00 0.00 WT1 H ATOM 9985 OH2 TIP3 2442 48.166 9.876 -1.959 1.00 0.00 WT1 O ATOM 9986 H1 TIP3 2442 47.685 10.304 -1.250 1.00 0.00 WT1 H ATOM 9987 H2 TIP3 2442 48.213 8.957 -1.697 1.00 0.00 WT1 H ATOM 9988 OH2 TIP3 2443 28.142 63.171 44.829 1.00 0.00 WT1 O ATOM 9989 H1 TIP3 2443 27.356 63.688 44.652 1.00 0.00 WT1 H ATOM 9990 H2 TIP3 2443 28.809 63.542 44.252 1.00 0.00 WT1 H ATOM 9991 OH2 TIP3 2444 57.678 78.649 51.161 1.00 0.00 WT1 O ATOM 9992 H1 TIP3 2444 58.295 78.887 51.853 1.00 0.00 WT1 H ATOM 9993 H2 TIP3 2444 57.392 79.486 50.795 1.00 0.00 WT1 H ATOM 9994 OH2 TIP3 2447 28.494 94.859 5.868 1.00 0.00 WT1 O ATOM 9995 H1 TIP3 2447 28.982 94.141 6.271 1.00 0.00 WT1 H ATOM 9996 H2 TIP3 2447 28.119 95.339 6.606 1.00 0.00 WT1 H ATOM 9997 OH2 TIP3 2449 87.559 46.568 51.502 1.00 0.00 WT1 O ATOM 9998 H1 TIP3 2449 87.019 45.860 51.854 1.00 0.00 WT1 H ATOM 9999 H2 TIP3 2449 87.720 47.142 52.250 1.00 0.00 WT1 H ATOM 10000 OH2 TIP3 2451 36.570 41.524 34.610 1.00 0.00 WT1 O ATOM 10001 H1 TIP3 2451 37.094 42.294 34.390 1.00 0.00 WT1 H ATOM 10002 H2 TIP3 2451 36.034 41.802 35.352 1.00 0.00 WT1 H ATOM 10003 OH2 TIP3 2453 52.893 15.880 18.726 1.00 0.00 WT1 O ATOM 10004 H1 TIP3 2453 53.246 16.690 19.092 1.00 0.00 WT1 H ATOM 10005 H2 TIP3 2453 51.947 16.022 18.698 1.00 0.00 WT1 H ATOM 10006 OH2 TIP3 2455 55.299 16.479 15.738 1.00 0.00 WT1 O ATOM 10007 H1 TIP3 2455 55.060 15.688 16.223 1.00 0.00 WT1 H ATOM 10008 H2 TIP3 2455 55.248 17.182 16.386 1.00 0.00 WT1 H ATOM 10009 OH2 TIP3 2456 36.035 31.424 38.382 1.00 0.00 WT1 O ATOM 10010 H1 TIP3 2456 35.625 31.405 37.517 1.00 0.00 WT1 H ATOM 10011 H2 TIP3 2456 36.489 32.267 38.413 1.00 0.00 WT1 H ATOM 10012 OH2 TIP3 2457 25.450 2.777 57.909 1.00 0.00 WT1 O ATOM 10013 H1 TIP3 2457 26.173 3.172 58.396 1.00 0.00 WT1 H ATOM 10014 H2 TIP3 2457 25.630 2.993 56.994 1.00 0.00 WT1 H ATOM 10015 OH2 TIP3 2458 65.925 65.713 54.816 1.00 0.00 WT1 O ATOM 10016 H1 TIP3 2458 65.894 66.348 54.100 1.00 0.00 WT1 H ATOM 10017 H2 TIP3 2458 65.917 66.247 55.610 1.00 0.00 WT1 H ATOM 10018 OH2 TIP3 2459 48.996 54.094 2.564 1.00 0.00 WT1 O ATOM 10019 H1 TIP3 2459 49.590 53.389 2.824 1.00 0.00 WT1 H ATOM 10020 H2 TIP3 2459 49.180 54.802 3.183 1.00 0.00 WT1 H ATOM 10021 OH2 TIP3 2460 27.094 40.190 0.895 1.00 0.00 WT1 O ATOM 10022 H1 TIP3 2460 27.445 40.273 1.782 1.00 0.00 WT1 H ATOM 10023 H2 TIP3 2460 27.126 41.079 0.541 1.00 0.00 WT1 H ATOM 10024 OH2 TIP3 2461 80.537 2.650 66.343 1.00 0.00 WT1 O ATOM 10025 H1 TIP3 2461 81.073 2.991 67.059 1.00 0.00 WT1 H ATOM 10026 H2 TIP3 2461 80.897 3.061 65.557 1.00 0.00 WT1 H ATOM 10027 OH2 TIP3 2462 42.955 18.040 -11.985 1.00 0.00 WT1 O ATOM 10028 H1 TIP3 2462 42.957 17.389 -11.284 1.00 0.00 WT1 H ATOM 10029 H2 TIP3 2462 42.053 18.042 -12.308 1.00 0.00 WT1 H ATOM 10030 OH2 TIP3 2463 45.052 8.948 14.128 1.00 0.00 WT1 O ATOM 10031 H1 TIP3 2463 44.174 9.327 14.095 1.00 0.00 WT1 H ATOM 10032 H2 TIP3 2463 45.354 8.962 13.220 1.00 0.00 WT1 H ATOM 10033 OH2 TIP3 2464 61.155 16.894 -14.820 1.00 0.00 WT1 O ATOM 10034 H1 TIP3 2464 61.933 17.448 -14.880 1.00 0.00 WT1 H ATOM 10035 H2 TIP3 2464 61.106 16.456 -15.669 1.00 0.00 WT1 H ATOM 10036 OH2 TIP3 2465 39.665 0.279 30.603 1.00 0.00 WT1 O ATOM 10037 H1 TIP3 2465 40.247 0.903 31.038 1.00 0.00 WT1 H ATOM 10038 H2 TIP3 2465 39.957 0.273 29.692 1.00 0.00 WT1 H ATOM 10039 OH2 TIP3 2467 26.532 35.707 57.046 1.00 0.00 WT1 O ATOM 10040 H1 TIP3 2467 26.238 34.802 57.149 1.00 0.00 WT1 H ATOM 10041 H2 TIP3 2467 27.455 35.633 56.802 1.00 0.00 WT1 H ATOM 10042 OH2 TIP3 2468 89.742 1.375 64.126 1.00 0.00 WT1 O ATOM 10043 H1 TIP3 2468 90.491 1.929 64.347 1.00 0.00 WT1 H ATOM 10044 H2 TIP3 2468 89.403 1.744 63.310 1.00 0.00 WT1 H ATOM 10045 OH2 TIP3 2469 47.183 56.368 -13.169 1.00 0.00 WT1 O ATOM 10046 H1 TIP3 2469 48.017 55.979 -13.431 1.00 0.00 WT1 H ATOM 10047 H2 TIP3 2469 47.347 57.311 -13.167 1.00 0.00 WT1 H ATOM 10048 OH2 TIP3 2470 77.522 21.206 37.848 1.00 0.00 WT1 O ATOM 10049 H1 TIP3 2470 76.758 20.662 37.656 1.00 0.00 WT1 H ATOM 10050 H2 TIP3 2470 77.807 21.529 36.993 1.00 0.00 WT1 H ATOM 10051 OH2 TIP3 2471 49.441 78.389 62.498 1.00 0.00 WT1 O ATOM 10052 H1 TIP3 2471 48.629 77.884 62.465 1.00 0.00 WT1 H ATOM 10053 H2 TIP3 2471 49.619 78.497 63.432 1.00 0.00 WT1 H ATOM 10054 OH2 TIP3 2472 41.074 42.993 28.615 1.00 0.00 WT1 O ATOM 10055 H1 TIP3 2472 41.505 43.821 28.403 1.00 0.00 WT1 H ATOM 10056 H2 TIP3 2472 41.579 42.332 28.141 1.00 0.00 WT1 H ATOM 10057 OH2 TIP3 2473 68.626 6.276 39.953 1.00 0.00 WT1 O ATOM 10058 H1 TIP3 2473 68.114 6.208 39.148 1.00 0.00 WT1 H ATOM 10059 H2 TIP3 2473 69.499 5.967 39.709 1.00 0.00 WT1 H ATOM 10060 OH2 TIP3 2474 89.737 77.436 12.088 1.00 0.00 WT1 O ATOM 10061 H1 TIP3 2474 89.875 77.192 11.173 1.00 0.00 WT1 H ATOM 10062 H2 TIP3 2474 89.511 76.614 12.524 1.00 0.00 WT1 H ATOM 10063 OH2 TIP3 2475 22.309 12.653 65.785 1.00 0.00 WT1 O ATOM 10064 H1 TIP3 2475 23.073 12.243 66.190 1.00 0.00 WT1 H ATOM 10065 H2 TIP3 2475 22.513 13.588 65.781 1.00 0.00 WT1 H ATOM 10066 OH2 TIP3 2476 33.807 36.515 49.351 1.00 0.00 WT1 O ATOM 10067 H1 TIP3 2476 33.695 35.582 49.532 1.00 0.00 WT1 H ATOM 10068 H2 TIP3 2476 33.984 36.906 50.206 1.00 0.00 WT1 H ATOM 10069 OH2 TIP3 2479 90.162 61.856 40.078 1.00 0.00 WT1 O ATOM 10070 H1 TIP3 2479 90.936 61.636 39.560 1.00 0.00 WT1 H ATOM 10071 H2 TIP3 2479 90.481 62.471 40.738 1.00 0.00 WT1 H ATOM 10072 OH2 TIP3 2480 35.782 41.533 57.542 1.00 0.00 WT1 O ATOM 10073 H1 TIP3 2480 35.249 42.057 58.140 1.00 0.00 WT1 H ATOM 10074 H2 TIP3 2480 35.159 40.938 57.125 1.00 0.00 WT1 H ATOM 10075 OH2 TIP3 2481 57.822 26.815 55.370 1.00 0.00 WT1 O ATOM 10076 H1 TIP3 2481 57.392 27.329 54.686 1.00 0.00 WT1 H ATOM 10077 H2 TIP3 2481 57.528 27.212 56.189 1.00 0.00 WT1 H ATOM 10078 OH2 TIP3 2482 40.509 36.329 13.144 1.00 0.00 WT1 O ATOM 10079 H1 TIP3 2482 40.200 37.219 12.975 1.00 0.00 WT1 H ATOM 10080 H2 TIP3 2482 41.307 36.446 13.659 1.00 0.00 WT1 H ATOM 10081 OH2 TIP3 2483 81.773 64.521 53.014 1.00 0.00 WT1 O ATOM 10082 H1 TIP3 2483 81.279 65.209 52.567 1.00 0.00 WT1 H ATOM 10083 H2 TIP3 2483 82.193 64.030 52.308 1.00 0.00 WT1 H ATOM 10084 OH2 TIP3 2484 65.210 91.583 15.941 1.00 0.00 WT1 O ATOM 10085 H1 TIP3 2484 64.788 90.764 15.681 1.00 0.00 WT1 H ATOM 10086 H2 TIP3 2484 64.567 92.016 16.503 1.00 0.00 WT1 H ATOM 10087 OH2 TIP3 2487 82.497 18.681 51.169 1.00 0.00 WT1 O ATOM 10088 H1 TIP3 2487 83.122 18.640 51.893 1.00 0.00 WT1 H ATOM 10089 H2 TIP3 2487 82.270 17.768 50.995 1.00 0.00 WT1 H ATOM 10090 OH2 TIP3 2488 33.635 18.628 23.541 1.00 0.00 WT1 O ATOM 10091 H1 TIP3 2488 34.377 18.618 22.937 1.00 0.00 WT1 H ATOM 10092 H2 TIP3 2488 33.073 17.913 23.243 1.00 0.00 WT1 H ATOM 10093 OH2 TIP3 2489 75.930 54.256 -5.909 1.00 0.00 WT1 O ATOM 10094 H1 TIP3 2489 75.844 53.648 -5.175 1.00 0.00 WT1 H ATOM 10095 H2 TIP3 2489 76.842 54.547 -5.874 1.00 0.00 WT1 H ATOM 10096 OH2 TIP3 2492 48.233 13.574 1.622 1.00 0.00 WT1 O ATOM 10097 H1 TIP3 2492 47.369 13.747 1.994 1.00 0.00 WT1 H ATOM 10098 H2 TIP3 2492 48.694 13.085 2.305 1.00 0.00 WT1 H ATOM 10099 OH2 TIP3 2493 82.011 30.970 12.979 1.00 0.00 WT1 O ATOM 10100 H1 TIP3 2493 82.338 31.429 12.205 1.00 0.00 WT1 H ATOM 10101 H2 TIP3 2493 82.108 30.042 12.767 1.00 0.00 WT1 H ATOM 10102 OH2 TIP3 2494 65.170 67.597 53.102 1.00 0.00 WT1 O ATOM 10103 H1 TIP3 2494 65.092 67.363 52.178 1.00 0.00 WT1 H ATOM 10104 H2 TIP3 2494 64.267 67.715 53.397 1.00 0.00 WT1 H ATOM 10105 OH2 TIP3 2495 28.275 94.818 -0.391 1.00 0.00 WT1 O ATOM 10106 H1 TIP3 2495 27.410 94.503 -0.652 1.00 0.00 WT1 H ATOM 10107 H2 TIP3 2495 28.529 94.248 0.335 1.00 0.00 WT1 H ATOM 10108 OH2 TIP3 2496 35.483 47.334 58.151 1.00 0.00 WT1 O ATOM 10109 H1 TIP3 2496 36.112 47.104 58.834 1.00 0.00 WT1 H ATOM 10110 H2 TIP3 2496 35.831 46.927 57.358 1.00 0.00 WT1 H ATOM 10111 OH2 TIP3 2497 57.042 47.271 35.322 1.00 0.00 WT1 O ATOM 10112 H1 TIP3 2497 57.930 46.930 35.219 1.00 0.00 WT1 H ATOM 10113 H2 TIP3 2497 56.806 47.592 34.452 1.00 0.00 WT1 H ATOM 10114 OH2 TIP3 2498 83.788 41.056 59.866 1.00 0.00 WT1 O ATOM 10115 H1 TIP3 2498 84.538 40.727 60.362 1.00 0.00 WT1 H ATOM 10116 H2 TIP3 2498 83.150 40.342 59.894 1.00 0.00 WT1 H ATOM 10117 OH2 TIP3 2499 75.506 44.408 34.623 1.00 0.00 WT1 O ATOM 10118 H1 TIP3 2499 75.180 44.349 33.725 1.00 0.00 WT1 H ATOM 10119 H2 TIP3 2499 74.918 45.031 35.051 1.00 0.00 WT1 H ATOM 10120 OH2 TIP3 2500 76.552 83.781 26.898 1.00 0.00 WT1 O ATOM 10121 H1 TIP3 2500 75.818 83.291 27.268 1.00 0.00 WT1 H ATOM 10122 H2 TIP3 2500 76.202 84.658 26.743 1.00 0.00 WT1 H ATOM 10123 OH2 TIP3 2501 83.595 1.454 66.521 1.00 0.00 WT1 O ATOM 10124 H1 TIP3 2501 83.103 1.041 67.231 1.00 0.00 WT1 H ATOM 10125 H2 TIP3 2501 83.681 2.369 66.789 1.00 0.00 WT1 H ATOM 10126 OH2 TIP3 2502 57.397 52.000 -9.029 1.00 0.00 WT1 O ATOM 10127 H1 TIP3 2502 56.890 51.253 -9.346 1.00 0.00 WT1 H ATOM 10128 H2 TIP3 2502 57.074 52.149 -8.140 1.00 0.00 WT1 H ATOM 10129 OH2 TIP3 2503 67.887 41.393 -11.102 1.00 0.00 WT1 O ATOM 10130 H1 TIP3 2503 67.350 42.132 -11.390 1.00 0.00 WT1 H ATOM 10131 H2 TIP3 2503 67.766 40.730 -11.782 1.00 0.00 WT1 H ATOM 10132 OH2 TIP3 2505 23.795 90.110 -9.864 1.00 0.00 WT1 O ATOM 10133 H1 TIP3 2505 24.531 90.317 -10.439 1.00 0.00 WT1 H ATOM 10134 H2 TIP3 2505 23.045 90.028 -10.454 1.00 0.00 WT1 H ATOM 10135 OH2 TIP3 2506 78.347 44.208 52.499 1.00 0.00 WT1 O ATOM 10136 H1 TIP3 2506 78.011 45.095 52.621 1.00 0.00 WT1 H ATOM 10137 H2 TIP3 2506 78.508 44.139 51.558 1.00 0.00 WT1 H ATOM 10138 OH2 TIP3 2508 24.558 77.404 15.626 1.00 0.00 WT1 O ATOM 10139 H1 TIP3 2508 23.605 77.446 15.700 1.00 0.00 WT1 H ATOM 10140 H2 TIP3 2508 24.762 76.470 15.673 1.00 0.00 WT1 H ATOM 10141 OH2 TIP3 2510 36.192 46.967 32.329 1.00 0.00 WT1 O ATOM 10142 H1 TIP3 2510 36.892 47.533 32.003 1.00 0.00 WT1 H ATOM 10143 H2 TIP3 2510 36.563 46.085 32.300 1.00 0.00 WT1 H ATOM 10144 OH2 TIP3 2511 24.214 45.421 26.034 1.00 0.00 WT1 O ATOM 10145 H1 TIP3 2511 23.757 44.719 26.497 1.00 0.00 WT1 H ATOM 10146 H2 TIP3 2511 23.524 45.881 25.555 1.00 0.00 WT1 H ATOM 10147 OH2 TIP3 2512 70.189 68.019 -0.992 1.00 0.00 WT1 O ATOM 10148 H1 TIP3 2512 69.644 67.722 -0.264 1.00 0.00 WT1 H ATOM 10149 H2 TIP3 2512 71.078 68.033 -0.636 1.00 0.00 WT1 H ATOM 10150 OH2 TIP3 2515 37.664 91.688 45.757 1.00 0.00 WT1 O ATOM 10151 H1 TIP3 2515 37.032 92.262 46.191 1.00 0.00 WT1 H ATOM 10152 H2 TIP3 2515 38.106 92.254 45.123 1.00 0.00 WT1 H ATOM 10153 OH2 TIP3 2517 31.833 49.740 -9.986 1.00 0.00 WT1 O ATOM 10154 H1 TIP3 2517 31.961 49.405 -9.098 1.00 0.00 WT1 H ATOM 10155 H2 TIP3 2517 31.182 50.435 -9.888 1.00 0.00 WT1 H ATOM 10156 OH2 TIP3 2518 21.577 63.743 15.194 1.00 0.00 WT1 O ATOM 10157 H1 TIP3 2518 21.379 64.540 15.686 1.00 0.00 WT1 H ATOM 10158 H2 TIP3 2518 21.353 63.030 15.792 1.00 0.00 WT1 H ATOM 10159 OH2 TIP3 2519 32.391 4.367 13.424 1.00 0.00 WT1 O ATOM 10160 H1 TIP3 2519 31.843 4.987 13.905 1.00 0.00 WT1 H ATOM 10161 H2 TIP3 2519 32.787 3.820 14.102 1.00 0.00 WT1 H ATOM 10162 OH2 TIP3 2521 29.977 31.722 6.193 1.00 0.00 WT1 O ATOM 10163 H1 TIP3 2521 29.223 31.838 6.771 1.00 0.00 WT1 H ATOM 10164 H2 TIP3 2521 29.616 31.794 5.310 1.00 0.00 WT1 H ATOM 10165 OH2 TIP3 2522 42.080 34.453 33.118 1.00 0.00 WT1 O ATOM 10166 H1 TIP3 2522 42.198 35.042 32.372 1.00 0.00 WT1 H ATOM 10167 H2 TIP3 2522 41.141 34.484 33.302 1.00 0.00 WT1 H ATOM 10168 OH2 TIP3 2523 40.909 70.179 -0.625 1.00 0.00 WT1 O ATOM 10169 H1 TIP3 2523 41.510 69.449 -0.481 1.00 0.00 WT1 H ATOM 10170 H2 TIP3 2523 41.454 70.867 -1.008 1.00 0.00 WT1 H ATOM 10171 OH2 TIP3 2525 64.592 8.736 53.077 1.00 0.00 WT1 O ATOM 10172 H1 TIP3 2525 65.501 8.602 52.808 1.00 0.00 WT1 H ATOM 10173 H2 TIP3 2525 64.610 8.652 54.031 1.00 0.00 WT1 H ATOM 10174 OH2 TIP3 2526 74.598 86.445 45.476 1.00 0.00 WT1 O ATOM 10175 H1 TIP3 2526 73.705 86.743 45.301 1.00 0.00 WT1 H ATOM 10176 H2 TIP3 2526 74.894 86.991 46.205 1.00 0.00 WT1 H ATOM 10177 OH2 TIP3 2527 44.276 38.355 38.507 1.00 0.00 WT1 O ATOM 10178 H1 TIP3 2527 44.309 38.098 37.585 1.00 0.00 WT1 H ATOM 10179 H2 TIP3 2527 44.224 39.311 38.487 1.00 0.00 WT1 H ATOM 10180 OH2 TIP3 2528 72.840 67.300 48.521 1.00 0.00 WT1 O ATOM 10181 H1 TIP3 2528 72.020 67.627 48.891 1.00 0.00 WT1 H ATOM 10182 H2 TIP3 2528 72.572 66.596 47.930 1.00 0.00 WT1 H ATOM 10183 OH2 TIP3 2529 25.591 29.484 4.324 1.00 0.00 WT1 O ATOM 10184 H1 TIP3 2529 24.802 29.958 4.587 1.00 0.00 WT1 H ATOM 10185 H2 TIP3 2529 26.005 29.231 5.149 1.00 0.00 WT1 H ATOM 10186 OH2 TIP3 2530 64.857 15.174 61.396 1.00 0.00 WT1 O ATOM 10187 H1 TIP3 2530 65.561 15.173 60.748 1.00 0.00 WT1 H ATOM 10188 H2 TIP3 2530 64.352 15.964 61.202 1.00 0.00 WT1 H ATOM 10189 OH2 TIP3 2532 38.532 60.194 -8.888 1.00 0.00 WT1 O ATOM 10190 H1 TIP3 2532 39.100 60.763 -8.369 1.00 0.00 WT1 H ATOM 10191 H2 TIP3 2532 38.449 59.397 -8.364 1.00 0.00 WT1 H ATOM 10192 OH2 TIP3 2533 65.832 76.261 37.477 1.00 0.00 WT1 O ATOM 10193 H1 TIP3 2533 65.951 75.581 36.814 1.00 0.00 WT1 H ATOM 10194 H2 TIP3 2533 65.303 75.844 38.157 1.00 0.00 WT1 H ATOM 10195 OH2 TIP3 2535 47.807 13.484 27.858 1.00 0.00 WT1 O ATOM 10196 H1 TIP3 2535 47.948 13.919 27.017 1.00 0.00 WT1 H ATOM 10197 H2 TIP3 2535 48.498 13.827 28.425 1.00 0.00 WT1 H ATOM 10198 OH2 TIP3 2536 36.203 29.171 -19.415 1.00 0.00 WT1 O ATOM 10199 H1 TIP3 2536 35.934 29.031 -20.323 1.00 0.00 WT1 H ATOM 10200 H2 TIP3 2536 36.531 30.070 -19.398 1.00 0.00 WT1 H ATOM 10201 OH2 TIP3 2537 48.914 50.465 -10.855 1.00 0.00 WT1 O ATOM 10202 H1 TIP3 2537 48.053 50.793 -11.114 1.00 0.00 WT1 H ATOM 10203 H2 TIP3 2537 49.504 51.207 -10.990 1.00 0.00 WT1 H ATOM 10204 OH2 TIP3 2538 52.381 38.786 21.676 1.00 0.00 WT1 O ATOM 10205 H1 TIP3 2538 53.222 39.239 21.742 1.00 0.00 WT1 H ATOM 10206 H2 TIP3 2538 51.806 39.412 21.235 1.00 0.00 WT1 H ATOM 10207 OH2 TIP3 2539 21.071 32.334 58.852 1.00 0.00 WT1 O ATOM 10208 H1 TIP3 2539 21.959 31.976 58.818 1.00 0.00 WT1 H ATOM 10209 H2 TIP3 2539 20.821 32.442 57.935 1.00 0.00 WT1 H ATOM 10210 OH2 TIP3 2540 62.649 32.087 -19.599 1.00 0.00 WT1 O ATOM 10211 H1 TIP3 2540 62.365 32.411 -20.453 1.00 0.00 WT1 H ATOM 10212 H2 TIP3 2540 61.871 31.670 -19.229 1.00 0.00 WT1 H ATOM 10213 OH2 TIP3 2541 48.409 3.660 31.184 1.00 0.00 WT1 O ATOM 10214 H1 TIP3 2541 48.779 3.117 31.880 1.00 0.00 WT1 H ATOM 10215 H2 TIP3 2541 48.725 4.543 31.374 1.00 0.00 WT1 H ATOM 10216 OH2 TIP3 2542 35.822 88.318 2.069 1.00 0.00 WT1 O ATOM 10217 H1 TIP3 2542 35.714 89.195 2.437 1.00 0.00 WT1 H ATOM 10218 H2 TIP3 2542 36.711 88.062 2.316 1.00 0.00 WT1 H ATOM 10219 OH2 TIP3 2543 75.738 20.241 4.953 1.00 0.00 WT1 O ATOM 10220 H1 TIP3 2543 76.510 20.762 4.733 1.00 0.00 WT1 H ATOM 10221 H2 TIP3 2543 75.015 20.687 4.511 1.00 0.00 WT1 H ATOM 10222 OH2 TIP3 2544 86.806 36.777 9.535 1.00 0.00 WT1 O ATOM 10223 H1 TIP3 2544 87.205 35.963 9.228 1.00 0.00 WT1 H ATOM 10224 H2 TIP3 2544 87.071 37.432 8.889 1.00 0.00 WT1 H ATOM 10225 OH2 TIP3 2545 56.388 55.792 25.575 1.00 0.00 WT1 O ATOM 10226 H1 TIP3 2545 56.165 55.103 26.202 1.00 0.00 WT1 H ATOM 10227 H2 TIP3 2545 56.065 56.597 25.979 1.00 0.00 WT1 H ATOM 10228 OH2 TIP3 2546 24.879 57.800 -13.549 1.00 0.00 WT1 O ATOM 10229 H1 TIP3 2546 25.016 58.609 -13.058 1.00 0.00 WT1 H ATOM 10230 H2 TIP3 2546 25.748 57.568 -13.878 1.00 0.00 WT1 H ATOM 10231 OH2 TIP3 2547 32.612 38.760 -15.543 1.00 0.00 WT1 O ATOM 10232 H1 TIP3 2547 32.807 39.302 -16.307 1.00 0.00 WT1 H ATOM 10233 H2 TIP3 2547 33.023 39.220 -14.811 1.00 0.00 WT1 H ATOM 10234 OH2 TIP3 2548 37.565 41.140 -5.179 1.00 0.00 WT1 O ATOM 10235 H1 TIP3 2548 36.868 41.592 -5.655 1.00 0.00 WT1 H ATOM 10236 H2 TIP3 2548 38.079 41.843 -4.782 1.00 0.00 WT1 H ATOM 10237 OH2 TIP3 2549 23.658 68.734 14.602 1.00 0.00 WT1 O ATOM 10238 H1 TIP3 2549 23.801 68.429 15.498 1.00 0.00 WT1 H ATOM 10239 H2 TIP3 2549 23.191 68.015 14.176 1.00 0.00 WT1 H ATOM 10240 OH2 TIP3 2550 52.179 52.058 26.356 1.00 0.00 WT1 O ATOM 10241 H1 TIP3 2550 52.772 51.548 25.803 1.00 0.00 WT1 H ATOM 10242 H2 TIP3 2550 51.401 51.508 26.443 1.00 0.00 WT1 H ATOM 10243 OH2 TIP3 2551 78.187 40.688 50.096 1.00 0.00 WT1 O ATOM 10244 H1 TIP3 2551 77.278 40.725 50.394 1.00 0.00 WT1 H ATOM 10245 H2 TIP3 2551 78.470 39.797 50.299 1.00 0.00 WT1 H ATOM 10246 OH2 TIP3 2552 69.861 75.668 63.035 1.00 0.00 WT1 O ATOM 10247 H1 TIP3 2552 70.084 74.989 63.671 1.00 0.00 WT1 H ATOM 10248 H2 TIP3 2552 70.583 75.655 62.407 1.00 0.00 WT1 H ATOM 10249 OH2 TIP3 2553 33.048 51.356 -7.475 1.00 0.00 WT1 O ATOM 10250 H1 TIP3 2553 33.261 52.219 -7.830 1.00 0.00 WT1 H ATOM 10251 H2 TIP3 2553 33.581 51.283 -6.683 1.00 0.00 WT1 H ATOM 10252 OH2 TIP3 2554 52.472 56.788 -12.036 1.00 0.00 WT1 O ATOM 10253 H1 TIP3 2554 52.320 57.716 -11.855 1.00 0.00 WT1 H ATOM 10254 H2 TIP3 2554 51.741 56.530 -12.597 1.00 0.00 WT1 H ATOM 10255 OH2 TIP3 2556 76.676 58.191 44.187 1.00 0.00 WT1 O ATOM 10256 H1 TIP3 2556 76.951 58.996 44.625 1.00 0.00 WT1 H ATOM 10257 H2 TIP3 2556 75.726 58.168 44.300 1.00 0.00 WT1 H ATOM 10258 OH2 TIP3 2557 87.702 58.536 10.668 1.00 0.00 WT1 O ATOM 10259 H1 TIP3 2557 88.450 58.543 11.265 1.00 0.00 WT1 H ATOM 10260 H2 TIP3 2557 88.050 58.875 9.843 1.00 0.00 WT1 H ATOM 10261 OH2 TIP3 2559 61.196 19.064 9.158 1.00 0.00 WT1 O ATOM 10262 H1 TIP3 2559 60.622 19.826 9.083 1.00 0.00 WT1 H ATOM 10263 H2 TIP3 2559 61.390 18.820 8.252 1.00 0.00 WT1 H ATOM 10264 OH2 TIP3 2560 83.073 18.920 -10.479 1.00 0.00 WT1 O ATOM 10265 H1 TIP3 2560 82.416 18.228 -10.408 1.00 0.00 WT1 H ATOM 10266 H2 TIP3 2560 83.754 18.669 -9.854 1.00 0.00 WT1 H ATOM 10267 OH2 TIP3 2561 33.808 33.867 -5.529 1.00 0.00 WT1 O ATOM 10268 H1 TIP3 2561 33.278 33.086 -5.690 1.00 0.00 WT1 H ATOM 10269 H2 TIP3 2561 33.921 33.888 -4.579 1.00 0.00 WT1 H ATOM 10270 OH2 TIP3 2562 54.182 28.044 60.238 1.00 0.00 WT1 O ATOM 10271 H1 TIP3 2562 53.409 28.541 60.505 1.00 0.00 WT1 H ATOM 10272 H2 TIP3 2562 54.494 27.634 61.044 1.00 0.00 WT1 H ATOM 10273 OH2 TIP3 2563 79.001 56.124 42.302 1.00 0.00 WT1 O ATOM 10274 H1 TIP3 2563 78.248 56.323 41.746 1.00 0.00 WT1 H ATOM 10275 H2 TIP3 2563 79.446 55.404 41.855 1.00 0.00 WT1 H ATOM 10276 OH2 TIP3 2564 81.129 40.177 27.064 1.00 0.00 WT1 O ATOM 10277 H1 TIP3 2564 81.043 40.690 26.260 1.00 0.00 WT1 H ATOM 10278 H2 TIP3 2564 80.233 40.084 27.386 1.00 0.00 WT1 H ATOM 10279 OH2 TIP3 2565 59.424 45.195 -14.603 1.00 0.00 WT1 O ATOM 10280 H1 TIP3 2565 59.437 46.089 -14.260 1.00 0.00 WT1 H ATOM 10281 H2 TIP3 2565 59.722 44.653 -13.873 1.00 0.00 WT1 H ATOM 10282 OH2 TIP3 2566 76.356 45.644 -15.580 1.00 0.00 WT1 O ATOM 10283 H1 TIP3 2566 75.756 46.138 -16.139 1.00 0.00 WT1 H ATOM 10284 H2 TIP3 2566 75.791 45.048 -15.088 1.00 0.00 WT1 H ATOM 10285 OH2 TIP3 2567 30.736 32.781 -10.098 1.00 0.00 WT1 O ATOM 10286 H1 TIP3 2567 30.401 33.072 -9.250 1.00 0.00 WT1 H ATOM 10287 H2 TIP3 2567 29.953 32.544 -10.596 1.00 0.00 WT1 H ATOM 10288 OH2 TIP3 2568 41.577 40.141 31.197 1.00 0.00 WT1 O ATOM 10289 H1 TIP3 2568 41.835 41.018 31.481 1.00 0.00 WT1 H ATOM 10290 H2 TIP3 2568 42.309 39.837 30.661 1.00 0.00 WT1 H ATOM 10291 OH2 TIP3 2569 34.072 62.823 7.276 1.00 0.00 WT1 O ATOM 10292 H1 TIP3 2569 33.245 62.348 7.353 1.00 0.00 WT1 H ATOM 10293 H2 TIP3 2569 34.360 62.954 8.179 1.00 0.00 WT1 H ATOM 10294 OH2 TIP3 2570 71.624 50.991 -8.940 1.00 0.00 WT1 O ATOM 10295 H1 TIP3 2570 72.276 51.690 -8.886 1.00 0.00 WT1 H ATOM 10296 H2 TIP3 2570 71.809 50.431 -8.187 1.00 0.00 WT1 H ATOM 10297 OH2 TIP3 2571 36.153 76.246 -5.382 1.00 0.00 WT1 O ATOM 10298 H1 TIP3 2571 36.947 76.745 -5.190 1.00 0.00 WT1 H ATOM 10299 H2 TIP3 2571 35.437 76.854 -5.197 1.00 0.00 WT1 H ATOM 10300 OH2 TIP3 2572 32.682 22.119 -2.572 1.00 0.00 WT1 O ATOM 10301 H1 TIP3 2572 32.631 21.932 -3.510 1.00 0.00 WT1 H ATOM 10302 H2 TIP3 2572 32.742 23.072 -2.521 1.00 0.00 WT1 H ATOM 10303 OH2 TIP3 2573 37.172 64.887 -17.256 1.00 0.00 WT1 O ATOM 10304 H1 TIP3 2573 37.947 65.096 -16.735 1.00 0.00 WT1 H ATOM 10305 H2 TIP3 2573 37.348 65.274 -18.113 1.00 0.00 WT1 H ATOM 10306 OH2 TIP3 2574 41.151 90.725 8.645 1.00 0.00 WT1 O ATOM 10307 H1 TIP3 2574 40.426 91.349 8.688 1.00 0.00 WT1 H ATOM 10308 H2 TIP3 2574 41.691 91.035 7.918 1.00 0.00 WT1 H ATOM 10309 OH2 TIP3 2577 76.606 78.067 -19.499 1.00 0.00 WT1 O ATOM 10310 H1 TIP3 2577 75.669 77.901 -19.399 1.00 0.00 WT1 H ATOM 10311 H2 TIP3 2577 76.689 79.019 -19.448 1.00 0.00 WT1 H ATOM 10312 OH2 TIP3 2578 34.958 82.355 45.504 1.00 0.00 WT1 O ATOM 10313 H1 TIP3 2578 35.340 83.055 44.975 1.00 0.00 WT1 H ATOM 10314 H2 TIP3 2578 35.113 81.559 44.997 1.00 0.00 WT1 H ATOM 10315 OH2 TIP3 2580 54.168 50.558 56.501 1.00 0.00 WT1 O ATOM 10316 H1 TIP3 2580 54.416 51.467 56.337 1.00 0.00 WT1 H ATOM 10317 H2 TIP3 2580 54.417 50.401 57.412 1.00 0.00 WT1 H ATOM 10318 OH2 TIP3 2581 44.077 50.999 0.448 1.00 0.00 WT1 O ATOM 10319 H1 TIP3 2581 43.756 51.866 0.696 1.00 0.00 WT1 H ATOM 10320 H2 TIP3 2581 45.011 51.021 0.656 1.00 0.00 WT1 H ATOM 10321 OH2 TIP3 2582 61.038 28.277 12.329 1.00 0.00 WT1 O ATOM 10322 H1 TIP3 2582 60.357 28.582 12.929 1.00 0.00 WT1 H ATOM 10323 H2 TIP3 2582 60.967 27.322 12.351 1.00 0.00 WT1 H ATOM 10324 OH2 TIP3 2583 36.132 43.186 20.304 1.00 0.00 WT1 O ATOM 10325 H1 TIP3 2583 36.245 43.110 19.357 1.00 0.00 WT1 H ATOM 10326 H2 TIP3 2583 36.055 42.282 20.610 1.00 0.00 WT1 H ATOM 10327 OH2 TIP3 2584 37.455 9.975 65.648 1.00 0.00 WT1 O ATOM 10328 H1 TIP3 2584 36.804 9.483 66.149 1.00 0.00 WT1 H ATOM 10329 H2 TIP3 2584 37.962 9.305 65.190 1.00 0.00 WT1 H ATOM 10330 OH2 TIP3 2585 34.775 39.117 8.205 1.00 0.00 WT1 O ATOM 10331 H1 TIP3 2585 34.243 39.736 8.706 1.00 0.00 WT1 H ATOM 10332 H2 TIP3 2585 35.462 39.654 7.811 1.00 0.00 WT1 H ATOM 10333 OH2 TIP3 2587 45.859 77.857 25.179 1.00 0.00 WT1 O ATOM 10334 H1 TIP3 2587 46.507 77.618 24.516 1.00 0.00 WT1 H ATOM 10335 H2 TIP3 2587 45.302 77.083 25.260 1.00 0.00 WT1 H ATOM 10336 OH2 TIP3 2588 29.015 64.048 58.194 1.00 0.00 WT1 O ATOM 10337 H1 TIP3 2588 29.162 63.167 58.536 1.00 0.00 WT1 H ATOM 10338 H2 TIP3 2588 28.318 64.406 58.742 1.00 0.00 WT1 H ATOM 10339 OH2 TIP3 2589 24.537 16.945 54.651 1.00 0.00 WT1 O ATOM 10340 H1 TIP3 2589 24.391 16.721 53.732 1.00 0.00 WT1 H ATOM 10341 H2 TIP3 2589 24.278 16.159 55.133 1.00 0.00 WT1 H ATOM 10342 OH2 TIP3 2590 35.378 8.226 15.823 1.00 0.00 WT1 O ATOM 10343 H1 TIP3 2590 34.719 8.713 15.329 1.00 0.00 WT1 H ATOM 10344 H2 TIP3 2590 35.495 8.730 16.628 1.00 0.00 WT1 H ATOM 10345 OH2 TIP3 2591 71.686 27.027 30.141 1.00 0.00 WT1 O ATOM 10346 H1 TIP3 2591 71.638 26.625 29.274 1.00 0.00 WT1 H ATOM 10347 H2 TIP3 2591 71.715 27.968 29.968 1.00 0.00 WT1 H ATOM 10348 OH2 TIP3 2592 34.055 38.836 45.712 1.00 0.00 WT1 O ATOM 10349 H1 TIP3 2592 34.720 39.290 45.195 1.00 0.00 WT1 H ATOM 10350 H2 TIP3 2592 34.529 38.499 46.472 1.00 0.00 WT1 H ATOM 10351 OH2 TIP3 2594 39.985 52.583 17.631 1.00 0.00 WT1 O ATOM 10352 H1 TIP3 2594 39.986 53.421 18.093 1.00 0.00 WT1 H ATOM 10353 H2 TIP3 2594 40.585 52.031 18.133 1.00 0.00 WT1 H ATOM 10354 OH2 TIP3 2595 52.709 67.928 16.716 1.00 0.00 WT1 O ATOM 10355 H1 TIP3 2595 52.477 68.762 16.308 1.00 0.00 WT1 H ATOM 10356 H2 TIP3 2595 52.087 67.833 17.438 1.00 0.00 WT1 H ATOM 10357 OH2 TIP3 2597 44.905 38.763 -3.163 1.00 0.00 WT1 O ATOM 10358 H1 TIP3 2597 44.818 39.248 -2.343 1.00 0.00 WT1 H ATOM 10359 H2 TIP3 2597 45.155 37.879 -2.894 1.00 0.00 WT1 H ATOM 10360 OH2 TIP3 2598 66.826 43.184 24.004 1.00 0.00 WT1 O ATOM 10361 H1 TIP3 2598 66.419 42.338 24.191 1.00 0.00 WT1 H ATOM 10362 H2 TIP3 2598 66.234 43.826 24.398 1.00 0.00 WT1 H ATOM 10363 OH2 TIP3 2599 77.018 64.687 19.125 1.00 0.00 WT1 O ATOM 10364 H1 TIP3 2599 76.604 64.449 19.955 1.00 0.00 WT1 H ATOM 10365 H2 TIP3 2599 76.922 63.909 18.577 1.00 0.00 WT1 H ATOM 10366 OH2 TIP3 2600 63.173 18.379 -16.093 1.00 0.00 WT1 O ATOM 10367 H1 TIP3 2600 63.555 17.589 -16.473 1.00 0.00 WT1 H ATOM 10368 H2 TIP3 2600 63.632 19.100 -16.524 1.00 0.00 WT1 H ATOM 10369 OH2 TIP3 2601 66.256 84.831 15.167 1.00 0.00 WT1 O ATOM 10370 H1 TIP3 2601 66.063 84.620 14.253 1.00 0.00 WT1 H ATOM 10371 H2 TIP3 2601 65.581 85.462 15.415 1.00 0.00 WT1 H ATOM 10372 OH2 TIP3 2602 37.751 64.667 64.803 1.00 0.00 WT1 O ATOM 10373 H1 TIP3 2602 36.855 64.348 64.696 1.00 0.00 WT1 H ATOM 10374 H2 TIP3 2602 38.219 64.330 64.040 1.00 0.00 WT1 H ATOM 10375 OH2 TIP3 2603 67.374 68.337 41.594 1.00 0.00 WT1 O ATOM 10376 H1 TIP3 2603 67.765 68.315 42.468 1.00 0.00 WT1 H ATOM 10377 H2 TIP3 2603 67.154 67.424 41.407 1.00 0.00 WT1 H ATOM 10378 OH2 TIP3 2605 59.083 45.602 40.256 1.00 0.00 WT1 O ATOM 10379 H1 TIP3 2605 59.850 45.240 39.812 1.00 0.00 WT1 H ATOM 10380 H2 TIP3 2605 59.322 46.510 40.445 1.00 0.00 WT1 H ATOM 10381 OH2 TIP3 2606 58.906 11.739 8.679 1.00 0.00 WT1 O ATOM 10382 H1 TIP3 2606 59.672 11.169 8.746 1.00 0.00 WT1 H ATOM 10383 H2 TIP3 2606 58.204 11.248 9.106 1.00 0.00 WT1 H ATOM 10384 OH2 TIP3 2607 49.449 74.317 5.723 1.00 0.00 WT1 O ATOM 10385 H1 TIP3 2607 50.012 74.012 5.012 1.00 0.00 WT1 H ATOM 10386 H2 TIP3 2607 49.811 73.909 6.509 1.00 0.00 WT1 H ATOM 10387 OH2 TIP3 2608 76.503 74.312 63.969 1.00 0.00 WT1 O ATOM 10388 H1 TIP3 2608 77.312 73.809 63.871 1.00 0.00 WT1 H ATOM 10389 H2 TIP3 2608 76.779 75.226 63.896 1.00 0.00 WT1 H ATOM 10390 OH2 TIP3 2609 42.231 23.234 -8.427 1.00 0.00 WT1 O ATOM 10391 H1 TIP3 2609 41.975 23.905 -7.794 1.00 0.00 WT1 H ATOM 10392 H2 TIP3 2609 42.739 23.707 -9.086 1.00 0.00 WT1 H ATOM 10393 OH2 TIP3 2610 52.629 2.239 11.258 1.00 0.00 WT1 O ATOM 10394 H1 TIP3 2610 53.189 3.014 11.205 1.00 0.00 WT1 H ATOM 10395 H2 TIP3 2610 52.384 2.183 12.182 1.00 0.00 WT1 H ATOM 10396 OH2 TIP3 2611 29.624 26.879 31.568 1.00 0.00 WT1 O ATOM 10397 H1 TIP3 2611 29.916 27.681 31.135 1.00 0.00 WT1 H ATOM 10398 H2 TIP3 2611 28.862 26.597 31.062 1.00 0.00 WT1 H ATOM 10399 OH2 TIP3 2612 44.014 54.135 12.308 1.00 0.00 WT1 O ATOM 10400 H1 TIP3 2612 44.789 54.386 12.809 1.00 0.00 WT1 H ATOM 10401 H2 TIP3 2612 44.265 54.269 11.394 1.00 0.00 WT1 H ATOM 10402 OH2 TIP3 2613 20.082 54.015 -15.334 1.00 0.00 WT1 O ATOM 10403 H1 TIP3 2613 20.815 54.092 -14.723 1.00 0.00 WT1 H ATOM 10404 H2 TIP3 2613 20.404 53.434 -16.023 1.00 0.00 WT1 H ATOM 10405 OH2 TIP3 2614 54.023 53.290 16.434 1.00 0.00 WT1 O ATOM 10406 H1 TIP3 2614 54.704 52.724 16.069 1.00 0.00 WT1 H ATOM 10407 H2 TIP3 2614 53.415 52.687 16.862 1.00 0.00 WT1 H ATOM 10408 OH2 TIP3 2615 21.577 44.885 19.407 1.00 0.00 WT1 O ATOM 10409 H1 TIP3 2615 21.564 45.835 19.521 1.00 0.00 WT1 H ATOM 10410 H2 TIP3 2615 21.871 44.755 18.505 1.00 0.00 WT1 H ATOM 10411 OH2 TIP3 2616 77.031 38.149 60.644 1.00 0.00 WT1 O ATOM 10412 H1 TIP3 2616 77.204 37.705 59.814 1.00 0.00 WT1 H ATOM 10413 H2 TIP3 2616 76.091 38.038 60.785 1.00 0.00 WT1 H ATOM 10414 OH2 TIP3 2617 41.650 80.326 48.797 1.00 0.00 WT1 O ATOM 10415 H1 TIP3 2617 41.798 79.967 47.923 1.00 0.00 WT1 H ATOM 10416 H2 TIP3 2617 41.269 81.191 48.640 1.00 0.00 WT1 H ATOM 10417 OH2 TIP3 2618 42.867 35.313 -12.045 1.00 0.00 WT1 O ATOM 10418 H1 TIP3 2618 42.092 35.195 -12.594 1.00 0.00 WT1 H ATOM 10419 H2 TIP3 2618 42.872 34.549 -11.469 1.00 0.00 WT1 H ATOM 10420 OH2 TIP3 2620 48.624 20.084 6.605 1.00 0.00 WT1 O ATOM 10421 H1 TIP3 2620 48.842 20.567 7.402 1.00 0.00 WT1 H ATOM 10422 H2 TIP3 2620 47.808 19.630 6.816 1.00 0.00 WT1 H ATOM 10423 OH2 TIP3 2623 20.607 91.609 57.257 1.00 0.00 WT1 O ATOM 10424 H1 TIP3 2623 21.260 92.209 56.898 1.00 0.00 WT1 H ATOM 10425 H2 TIP3 2623 20.946 91.372 58.120 1.00 0.00 WT1 H ATOM 10426 OH2 TIP3 2625 36.578 68.310 31.783 1.00 0.00 WT1 O ATOM 10427 H1 TIP3 2625 37.283 68.953 31.857 1.00 0.00 WT1 H ATOM 10428 H2 TIP3 2625 36.735 67.877 30.944 1.00 0.00 WT1 H ATOM 10429 OH2 TIP3 2626 34.980 91.623 -9.311 1.00 0.00 WT1 O ATOM 10430 H1 TIP3 2626 35.382 92.339 -8.819 1.00 0.00 WT1 H ATOM 10431 H2 TIP3 2626 34.323 91.261 -8.716 1.00 0.00 WT1 H ATOM 10432 OH2 TIP3 2627 72.727 76.059 46.900 1.00 0.00 WT1 O ATOM 10433 H1 TIP3 2627 73.518 75.726 47.323 1.00 0.00 WT1 H ATOM 10434 H2 TIP3 2627 72.951 76.102 45.971 1.00 0.00 WT1 H ATOM 10435 OH2 TIP3 2628 36.236 54.676 36.371 1.00 0.00 WT1 O ATOM 10436 H1 TIP3 2628 36.856 54.745 35.645 1.00 0.00 WT1 H ATOM 10437 H2 TIP3 2628 35.519 54.143 36.025 1.00 0.00 WT1 H ATOM 10438 OH2 TIP3 2629 35.655 18.563 50.707 1.00 0.00 WT1 O ATOM 10439 H1 TIP3 2629 35.091 17.790 50.720 1.00 0.00 WT1 H ATOM 10440 H2 TIP3 2629 36.522 18.224 50.485 1.00 0.00 WT1 H ATOM 10441 OH2 TIP3 2631 24.793 42.529 1.506 1.00 0.00 WT1 O ATOM 10442 H1 TIP3 2631 24.660 41.649 1.154 1.00 0.00 WT1 H ATOM 10443 H2 TIP3 2631 23.920 42.814 1.777 1.00 0.00 WT1 H ATOM 10444 OH2 TIP3 2632 80.704 44.016 9.827 1.00 0.00 WT1 O ATOM 10445 H1 TIP3 2632 80.694 44.967 9.723 1.00 0.00 WT1 H ATOM 10446 H2 TIP3 2632 81.606 43.763 9.627 1.00 0.00 WT1 H ATOM 10447 OH2 TIP3 2634 31.635 91.243 3.062 1.00 0.00 WT1 O ATOM 10448 H1 TIP3 2634 31.620 91.176 4.017 1.00 0.00 WT1 H ATOM 10449 H2 TIP3 2634 31.267 90.413 2.758 1.00 0.00 WT1 H ATOM 10450 OH2 TIP3 2635 88.781 94.905 -16.311 1.00 0.00 WT1 O ATOM 10451 H1 TIP3 2635 89.676 95.238 -16.245 1.00 0.00 WT1 H ATOM 10452 H2 TIP3 2635 88.883 94.004 -16.620 1.00 0.00 WT1 H ATOM 10453 OH2 TIP3 2637 57.646 51.714 21.043 1.00 0.00 WT1 O ATOM 10454 H1 TIP3 2637 57.517 50.977 20.445 1.00 0.00 WT1 H ATOM 10455 H2 TIP3 2637 57.503 52.490 20.501 1.00 0.00 WT1 H ATOM 10456 OH2 TIP3 2638 32.993 55.082 0.334 1.00 0.00 WT1 O ATOM 10457 H1 TIP3 2638 32.128 54.911 0.707 1.00 0.00 WT1 H ATOM 10458 H2 TIP3 2638 33.606 54.843 1.029 1.00 0.00 WT1 H ATOM 10459 OH2 TIP3 2639 49.223 25.499 47.243 1.00 0.00 WT1 O ATOM 10460 H1 TIP3 2639 48.456 25.674 46.698 1.00 0.00 WT1 H ATOM 10461 H2 TIP3 2639 49.964 25.799 46.716 1.00 0.00 WT1 H ATOM 10462 OH2 TIP3 2641 26.437 87.560 53.226 1.00 0.00 WT1 O ATOM 10463 H1 TIP3 2641 27.386 87.663 53.154 1.00 0.00 WT1 H ATOM 10464 H2 TIP3 2641 26.233 86.811 52.666 1.00 0.00 WT1 H ATOM 10465 OH2 TIP3 2642 76.979 46.734 31.612 1.00 0.00 WT1 O ATOM 10466 H1 TIP3 2642 76.538 46.684 30.764 1.00 0.00 WT1 H ATOM 10467 H2 TIP3 2642 77.286 45.842 31.775 1.00 0.00 WT1 H ATOM 10468 OH2 TIP3 2644 81.201 69.975 28.846 1.00 0.00 WT1 O ATOM 10469 H1 TIP3 2644 81.622 69.214 28.446 1.00 0.00 WT1 H ATOM 10470 H2 TIP3 2644 80.320 69.985 28.472 1.00 0.00 WT1 H ATOM 10471 OH2 TIP3 2646 83.996 23.070 42.755 1.00 0.00 WT1 O ATOM 10472 H1 TIP3 2646 83.373 22.891 43.460 1.00 0.00 WT1 H ATOM 10473 H2 TIP3 2646 84.687 23.586 43.171 1.00 0.00 WT1 H ATOM 10474 OH2 TIP3 2647 76.253 94.589 -19.320 1.00 0.00 WT1 O ATOM 10475 H1 TIP3 2647 77.067 94.126 -19.515 1.00 0.00 WT1 H ATOM 10476 H2 TIP3 2647 76.454 95.111 -18.543 1.00 0.00 WT1 H ATOM 10477 OH2 TIP3 2648 78.838 84.883 -5.407 1.00 0.00 WT1 O ATOM 10478 H1 TIP3 2648 78.172 84.250 -5.676 1.00 0.00 WT1 H ATOM 10479 H2 TIP3 2648 79.506 84.357 -4.968 1.00 0.00 WT1 H ATOM 10480 OH2 TIP3 2649 36.439 8.429 62.934 1.00 0.00 WT1 O ATOM 10481 H1 TIP3 2649 35.941 8.045 63.655 1.00 0.00 WT1 H ATOM 10482 H2 TIP3 2649 37.075 7.755 62.696 1.00 0.00 WT1 H ATOM 10483 OH2 TIP3 2650 35.952 72.517 10.554 1.00 0.00 WT1 O ATOM 10484 H1 TIP3 2650 36.238 72.812 11.419 1.00 0.00 WT1 H ATOM 10485 H2 TIP3 2650 36.763 72.310 10.090 1.00 0.00 WT1 H ATOM 10486 OH2 TIP3 2651 27.984 49.224 -4.999 1.00 0.00 WT1 O ATOM 10487 H1 TIP3 2651 28.100 49.902 -5.664 1.00 0.00 WT1 H ATOM 10488 H2 TIP3 2651 27.235 48.712 -5.306 1.00 0.00 WT1 H ATOM 10489 OH2 TIP3 2653 88.259 84.533 -1.182 1.00 0.00 WT1 O ATOM 10490 H1 TIP3 2653 88.933 85.209 -1.260 1.00 0.00 WT1 H ATOM 10491 H2 TIP3 2653 88.282 84.276 -0.260 1.00 0.00 WT1 H ATOM 10492 OH2 TIP3 2654 27.773 48.645 9.318 1.00 0.00 WT1 O ATOM 10493 H1 TIP3 2654 27.849 49.596 9.406 1.00 0.00 WT1 H ATOM 10494 H2 TIP3 2654 27.392 48.514 8.450 1.00 0.00 WT1 H ATOM 10495 OH2 TIP3 2655 41.421 91.422 17.696 1.00 0.00 WT1 O ATOM 10496 H1 TIP3 2655 41.608 90.579 18.109 1.00 0.00 WT1 H ATOM 10497 H2 TIP3 2655 40.915 91.199 16.915 1.00 0.00 WT1 H ATOM 10498 OH2 TIP3 2656 32.049 14.772 6.406 1.00 0.00 WT1 O ATOM 10499 H1 TIP3 2656 32.887 14.698 5.949 1.00 0.00 WT1 H ATOM 10500 H2 TIP3 2656 32.238 14.491 7.301 1.00 0.00 WT1 H ATOM 10501 OH2 TIP3 2657 21.115 21.271 36.678 1.00 0.00 WT1 O ATOM 10502 H1 TIP3 2657 21.845 21.831 36.942 1.00 0.00 WT1 H ATOM 10503 H2 TIP3 2657 21.015 21.433 35.740 1.00 0.00 WT1 H ATOM 10504 OH2 TIP3 2658 40.987 67.493 18.582 1.00 0.00 WT1 O ATOM 10505 H1 TIP3 2658 40.318 66.828 18.744 1.00 0.00 WT1 H ATOM 10506 H2 TIP3 2658 41.716 67.244 19.150 1.00 0.00 WT1 H ATOM 10507 OH2 TIP3 2659 33.085 87.960 -3.215 1.00 0.00 WT1 O ATOM 10508 H1 TIP3 2659 33.511 87.387 -2.578 1.00 0.00 WT1 H ATOM 10509 H2 TIP3 2659 33.696 88.688 -3.329 1.00 0.00 WT1 H ATOM 10510 OH2 TIP3 2660 54.521 94.307 15.941 1.00 0.00 WT1 O ATOM 10511 H1 TIP3 2660 53.873 94.514 16.614 1.00 0.00 WT1 H ATOM 10512 H2 TIP3 2660 54.059 94.446 15.114 1.00 0.00 WT1 H ATOM 10513 OH2 TIP3 2661 86.787 74.302 14.039 1.00 0.00 WT1 O ATOM 10514 H1 TIP3 2661 86.527 75.122 14.459 1.00 0.00 WT1 H ATOM 10515 H2 TIP3 2661 86.561 73.624 14.676 1.00 0.00 WT1 H ATOM 10516 OH2 TIP3 2662 41.682 3.427 8.557 1.00 0.00 WT1 O ATOM 10517 H1 TIP3 2662 41.514 4.184 9.118 1.00 0.00 WT1 H ATOM 10518 H2 TIP3 2662 40.863 2.932 8.570 1.00 0.00 WT1 H ATOM 10519 OH2 TIP3 2663 81.662 52.548 26.856 1.00 0.00 WT1 O ATOM 10520 H1 TIP3 2663 80.967 52.457 26.204 1.00 0.00 WT1 H ATOM 10521 H2 TIP3 2663 81.205 52.796 27.660 1.00 0.00 WT1 H ATOM 10522 OH2 TIP3 2664 80.891 66.061 8.007 1.00 0.00 WT1 O ATOM 10523 H1 TIP3 2664 80.530 65.323 8.497 1.00 0.00 WT1 H ATOM 10524 H2 TIP3 2664 81.505 66.475 8.614 1.00 0.00 WT1 H ATOM 10525 OH2 TIP3 2665 52.129 78.289 -6.325 1.00 0.00 WT1 O ATOM 10526 H1 TIP3 2665 52.730 78.957 -6.656 1.00 0.00 WT1 H ATOM 10527 H2 TIP3 2665 52.233 78.321 -5.374 1.00 0.00 WT1 H ATOM 10528 OH2 TIP3 2666 40.232 66.368 52.022 1.00 0.00 WT1 O ATOM 10529 H1 TIP3 2666 39.865 66.016 52.834 1.00 0.00 WT1 H ATOM 10530 H2 TIP3 2666 40.248 67.315 52.157 1.00 0.00 WT1 H ATOM 10531 OH2 TIP3 2667 60.029 78.853 52.721 1.00 0.00 WT1 O ATOM 10532 H1 TIP3 2667 60.188 79.264 51.872 1.00 0.00 WT1 H ATOM 10533 H2 TIP3 2667 60.202 79.545 53.359 1.00 0.00 WT1 H ATOM 10534 OH2 TIP3 2668 47.381 81.933 50.174 1.00 0.00 WT1 O ATOM 10535 H1 TIP3 2668 46.708 82.004 50.850 1.00 0.00 WT1 H ATOM 10536 H2 TIP3 2668 47.744 81.055 50.288 1.00 0.00 WT1 H ATOM 10537 OH2 TIP3 2669 72.299 87.745 45.506 1.00 0.00 WT1 O ATOM 10538 H1 TIP3 2669 71.704 87.952 46.226 1.00 0.00 WT1 H ATOM 10539 H2 TIP3 2669 72.709 88.582 45.285 1.00 0.00 WT1 H ATOM 10540 OH2 TIP3 2670 27.188 70.948 36.712 1.00 0.00 WT1 O ATOM 10541 H1 TIP3 2670 27.670 71.203 35.925 1.00 0.00 WT1 H ATOM 10542 H2 TIP3 2670 26.618 70.235 36.424 1.00 0.00 WT1 H ATOM 10543 OH2 TIP3 2672 87.991 32.600 21.164 1.00 0.00 WT1 O ATOM 10544 H1 TIP3 2672 88.586 33.210 20.729 1.00 0.00 WT1 H ATOM 10545 H2 TIP3 2672 88.465 32.318 21.946 1.00 0.00 WT1 H ATOM 10546 OH2 TIP3 2673 78.572 5.427 -9.719 1.00 0.00 WT1 O ATOM 10547 H1 TIP3 2673 78.418 6.346 -9.501 1.00 0.00 WT1 H ATOM 10548 H2 TIP3 2673 78.580 5.406 -10.676 1.00 0.00 WT1 H ATOM 10549 OH2 TIP3 2674 28.970 81.319 23.173 1.00 0.00 WT1 O ATOM 10550 H1 TIP3 2674 28.216 81.721 23.605 1.00 0.00 WT1 H ATOM 10551 H2 TIP3 2674 29.514 82.058 22.902 1.00 0.00 WT1 H ATOM 10552 OH2 TIP3 2675 61.707 51.710 -17.202 1.00 0.00 WT1 O ATOM 10553 H1 TIP3 2675 62.404 51.960 -16.596 1.00 0.00 WT1 H ATOM 10554 H2 TIP3 2675 61.027 52.371 -17.072 1.00 0.00 WT1 H ATOM 10555 OH2 TIP3 2676 58.993 22.607 14.168 1.00 0.00 WT1 O ATOM 10556 H1 TIP3 2676 58.938 21.707 13.846 1.00 0.00 WT1 H ATOM 10557 H2 TIP3 2676 58.130 22.980 13.988 1.00 0.00 WT1 H ATOM 10558 OH2 TIP3 2677 53.846 78.700 35.898 1.00 0.00 WT1 O ATOM 10559 H1 TIP3 2677 54.485 78.966 36.560 1.00 0.00 WT1 H ATOM 10560 H2 TIP3 2677 53.826 77.744 35.955 1.00 0.00 WT1 H ATOM 10561 OH2 TIP3 2678 74.017 60.250 13.497 1.00 0.00 WT1 O ATOM 10562 H1 TIP3 2678 74.282 60.527 12.620 1.00 0.00 WT1 H ATOM 10563 H2 TIP3 2678 73.857 59.310 13.414 1.00 0.00 WT1 H ATOM 10564 OH2 TIP3 2679 28.451 25.970 14.536 1.00 0.00 WT1 O ATOM 10565 H1 TIP3 2679 28.935 25.541 13.830 1.00 0.00 WT1 H ATOM 10566 H2 TIP3 2679 27.655 25.449 14.632 1.00 0.00 WT1 H ATOM 10567 OH2 TIP3 2680 81.620 28.108 13.341 1.00 0.00 WT1 O ATOM 10568 H1 TIP3 2680 82.267 27.695 13.913 1.00 0.00 WT1 H ATOM 10569 H2 TIP3 2680 81.093 28.650 13.927 1.00 0.00 WT1 H ATOM 10570 OH2 TIP3 2681 45.744 17.572 41.391 1.00 0.00 WT1 O ATOM 10571 H1 TIP3 2681 44.915 17.792 41.815 1.00 0.00 WT1 H ATOM 10572 H2 TIP3 2681 45.767 18.123 40.609 1.00 0.00 WT1 H ATOM 10573 OH2 TIP3 2682 87.441 93.268 24.510 1.00 0.00 WT1 O ATOM 10574 H1 TIP3 2682 86.678 93.242 23.933 1.00 0.00 WT1 H ATOM 10575 H2 TIP3 2682 88.190 93.303 23.915 1.00 0.00 WT1 H ATOM 10576 OH2 TIP3 2683 74.649 79.360 -4.692 1.00 0.00 WT1 O ATOM 10577 H1 TIP3 2683 75.534 79.117 -4.418 1.00 0.00 WT1 H ATOM 10578 H2 TIP3 2683 74.777 79.866 -5.494 1.00 0.00 WT1 H ATOM 10579 OH2 TIP3 2684 67.733 23.427 7.084 1.00 0.00 WT1 O ATOM 10580 H1 TIP3 2684 67.854 23.858 7.930 1.00 0.00 WT1 H ATOM 10581 H2 TIP3 2684 66.801 23.207 7.058 1.00 0.00 WT1 H ATOM 10582 OH2 TIP3 2685 74.864 82.000 54.170 1.00 0.00 WT1 O ATOM 10583 H1 TIP3 2685 75.782 81.793 53.992 1.00 0.00 WT1 H ATOM 10584 H2 TIP3 2685 74.399 81.178 54.013 1.00 0.00 WT1 H ATOM 10585 OH2 TIP3 2686 65.888 7.909 -8.453 1.00 0.00 WT1 O ATOM 10586 H1 TIP3 2686 66.236 8.500 -7.786 1.00 0.00 WT1 H ATOM 10587 H2 TIP3 2686 64.966 7.803 -8.223 1.00 0.00 WT1 H ATOM 10588 OH2 TIP3 2688 53.534 19.872 13.702 1.00 0.00 WT1 O ATOM 10589 H1 TIP3 2688 52.579 19.932 13.676 1.00 0.00 WT1 H ATOM 10590 H2 TIP3 2688 53.806 20.605 14.255 1.00 0.00 WT1 H ATOM 10591 OH2 TIP3 2689 53.114 16.952 12.934 1.00 0.00 WT1 O ATOM 10592 H1 TIP3 2689 53.222 17.835 13.286 1.00 0.00 WT1 H ATOM 10593 H2 TIP3 2689 52.974 16.402 13.705 1.00 0.00 WT1 H ATOM 10594 OH2 TIP3 2690 68.174 95.095 54.354 1.00 0.00 WT1 O ATOM 10595 H1 TIP3 2690 67.907 94.302 54.819 1.00 0.00 WT1 H ATOM 10596 H2 TIP3 2690 69.123 95.136 54.477 1.00 0.00 WT1 H ATOM 10597 OH2 TIP3 2691 23.830 95.580 61.752 1.00 0.00 WT1 O ATOM 10598 H1 TIP3 2691 23.435 96.043 62.491 1.00 0.00 WT1 H ATOM 10599 H2 TIP3 2691 24.013 96.266 61.110 1.00 0.00 WT1 H ATOM 10600 OH2 TIP3 2692 51.168 89.614 3.653 1.00 0.00 WT1 O ATOM 10601 H1 TIP3 2692 50.744 89.695 4.507 1.00 0.00 WT1 H ATOM 10602 H2 TIP3 2692 51.764 90.362 3.609 1.00 0.00 WT1 H ATOM 10603 OH2 TIP3 2693 73.438 89.473 22.952 1.00 0.00 WT1 O ATOM 10604 H1 TIP3 2693 73.915 90.049 22.354 1.00 0.00 WT1 H ATOM 10605 H2 TIP3 2693 73.553 88.597 22.583 1.00 0.00 WT1 H ATOM 10606 OH2 TIP3 2694 39.220 20.826 5.360 1.00 0.00 WT1 O ATOM 10607 H1 TIP3 2694 38.367 20.877 5.791 1.00 0.00 WT1 H ATOM 10608 H2 TIP3 2694 39.704 21.579 5.698 1.00 0.00 WT1 H ATOM 10609 OH2 TIP3 2695 43.052 13.848 18.980 1.00 0.00 WT1 O ATOM 10610 H1 TIP3 2695 43.044 13.276 18.213 1.00 0.00 WT1 H ATOM 10611 H2 TIP3 2695 43.242 14.718 18.629 1.00 0.00 WT1 H ATOM 10612 OH2 TIP3 2696 57.363 38.926 -9.384 1.00 0.00 WT1 O ATOM 10613 H1 TIP3 2696 57.195 39.836 -9.625 1.00 0.00 WT1 H ATOM 10614 H2 TIP3 2696 57.769 38.978 -8.518 1.00 0.00 WT1 H ATOM 10615 OH2 TIP3 2697 47.712 20.205 39.223 1.00 0.00 WT1 O ATOM 10616 H1 TIP3 2697 47.254 20.984 39.536 1.00 0.00 WT1 H ATOM 10617 H2 TIP3 2697 47.041 19.699 38.765 1.00 0.00 WT1 H ATOM 10618 OH2 TIP3 2698 40.247 52.252 45.356 1.00 0.00 WT1 O ATOM 10619 H1 TIP3 2698 41.196 52.366 45.392 1.00 0.00 WT1 H ATOM 10620 H2 TIP3 2698 39.952 52.894 44.711 1.00 0.00 WT1 H ATOM 10621 OH2 TIP3 2700 83.868 2.887 54.277 1.00 0.00 WT1 O ATOM 10622 H1 TIP3 2700 83.683 3.654 54.818 1.00 0.00 WT1 H ATOM 10623 H2 TIP3 2700 84.691 2.542 54.623 1.00 0.00 WT1 H ATOM 10624 OH2 TIP3 2701 24.682 70.404 17.941 1.00 0.00 WT1 O ATOM 10625 H1 TIP3 2701 25.375 70.441 18.601 1.00 0.00 WT1 H ATOM 10626 H2 TIP3 2701 24.617 69.477 17.714 1.00 0.00 WT1 H ATOM 10627 OH2 TIP3 2702 45.498 96.003 -19.580 1.00 0.00 WT1 O ATOM 10628 H1 TIP3 2702 44.766 96.618 -19.624 1.00 0.00 WT1 H ATOM 10629 H2 TIP3 2702 45.463 95.651 -18.690 1.00 0.00 WT1 H ATOM 10630 OH2 TIP3 2703 40.161 14.723 34.550 1.00 0.00 WT1 O ATOM 10631 H1 TIP3 2703 39.841 13.885 34.215 1.00 0.00 WT1 H ATOM 10632 H2 TIP3 2703 41.104 14.704 34.383 1.00 0.00 WT1 H ATOM 10633 OH2 TIP3 2705 86.126 86.905 50.342 1.00 0.00 WT1 O ATOM 10634 H1 TIP3 2705 86.171 87.758 50.773 1.00 0.00 WT1 H ATOM 10635 H2 TIP3 2705 85.424 86.999 49.697 1.00 0.00 WT1 H ATOM 10636 OH2 TIP3 2706 56.429 2.749 6.162 1.00 0.00 WT1 O ATOM 10637 H1 TIP3 2706 56.274 1.930 6.633 1.00 0.00 WT1 H ATOM 10638 H2 TIP3 2706 55.657 3.282 6.347 1.00 0.00 WT1 H ATOM 10639 OH2 TIP3 2707 77.420 19.814 45.067 1.00 0.00 WT1 O ATOM 10640 H1 TIP3 2707 77.475 19.367 44.223 1.00 0.00 WT1 H ATOM 10641 H2 TIP3 2707 78.306 19.762 45.425 1.00 0.00 WT1 H ATOM 10642 OH2 TIP3 2708 88.937 16.288 55.127 1.00 0.00 WT1 O ATOM 10643 H1 TIP3 2708 89.886 16.220 55.230 1.00 0.00 WT1 H ATOM 10644 H2 TIP3 2708 88.755 17.226 55.186 1.00 0.00 WT1 H ATOM 10645 OH2 TIP3 2709 51.955 92.169 3.964 1.00 0.00 WT1 O ATOM 10646 H1 TIP3 2709 52.595 92.019 4.660 1.00 0.00 WT1 H ATOM 10647 H2 TIP3 2709 51.751 93.102 4.023 1.00 0.00 WT1 H ATOM 10648 OH2 TIP3 2710 68.864 21.359 54.413 1.00 0.00 WT1 O ATOM 10649 H1 TIP3 2710 69.174 22.065 54.980 1.00 0.00 WT1 H ATOM 10650 H2 TIP3 2710 68.006 21.127 54.767 1.00 0.00 WT1 H ATOM 10651 OH2 TIP3 2711 35.660 62.168 -7.054 1.00 0.00 WT1 O ATOM 10652 H1 TIP3 2711 34.862 62.523 -6.663 1.00 0.00 WT1 H ATOM 10653 H2 TIP3 2711 35.687 62.549 -7.932 1.00 0.00 WT1 H ATOM 10654 OH2 TIP3 2712 89.704 82.500 -9.973 1.00 0.00 WT1 O ATOM 10655 H1 TIP3 2712 89.318 83.329 -9.689 1.00 0.00 WT1 H ATOM 10656 H2 TIP3 2712 90.641 82.601 -9.804 1.00 0.00 WT1 H ATOM 10657 OH2 TIP3 2713 21.993 67.651 53.263 1.00 0.00 WT1 O ATOM 10658 H1 TIP3 2713 22.024 67.018 53.981 1.00 0.00 WT1 H ATOM 10659 H2 TIP3 2713 21.570 67.180 52.546 1.00 0.00 WT1 H ATOM 10660 OH2 TIP3 2714 32.266 45.045 32.095 1.00 0.00 WT1 O ATOM 10661 H1 TIP3 2714 32.888 45.761 32.224 1.00 0.00 WT1 H ATOM 10662 H2 TIP3 2714 32.526 44.648 31.264 1.00 0.00 WT1 H ATOM 10663 OH2 TIP3 2715 61.139 17.742 1.395 1.00 0.00 WT1 O ATOM 10664 H1 TIP3 2715 60.331 17.547 0.921 1.00 0.00 WT1 H ATOM 10665 H2 TIP3 2715 61.810 17.225 0.949 1.00 0.00 WT1 H ATOM 10666 OH2 TIP3 2717 56.737 52.363 -3.217 1.00 0.00 WT1 O ATOM 10667 H1 TIP3 2717 57.459 52.683 -2.676 1.00 0.00 WT1 H ATOM 10668 H2 TIP3 2717 55.968 52.829 -2.890 1.00 0.00 WT1 H ATOM 10669 OH2 TIP3 2718 72.701 14.757 5.786 1.00 0.00 WT1 O ATOM 10670 H1 TIP3 2718 73.559 14.719 5.363 1.00 0.00 WT1 H ATOM 10671 H2 TIP3 2718 72.080 14.841 5.062 1.00 0.00 WT1 H ATOM 10672 OH2 TIP3 2719 28.754 13.847 62.881 1.00 0.00 WT1 O ATOM 10673 H1 TIP3 2719 29.016 12.941 63.045 1.00 0.00 WT1 H ATOM 10674 H2 TIP3 2719 29.213 14.355 63.549 1.00 0.00 WT1 H ATOM 10675 OH2 TIP3 2720 45.444 83.153 17.090 1.00 0.00 WT1 O ATOM 10676 H1 TIP3 2720 44.885 82.615 17.650 1.00 0.00 WT1 H ATOM 10677 H2 TIP3 2720 45.525 82.652 16.278 1.00 0.00 WT1 H ATOM 10678 OH2 TIP3 2721 80.111 2.998 57.513 1.00 0.00 WT1 O ATOM 10679 H1 TIP3 2721 80.364 3.446 58.320 1.00 0.00 WT1 H ATOM 10680 H2 TIP3 2721 79.420 3.547 57.140 1.00 0.00 WT1 H ATOM 10681 OH2 TIP3 2722 51.111 60.248 53.145 1.00 0.00 WT1 O ATOM 10682 H1 TIP3 2722 50.582 59.488 52.901 1.00 0.00 WT1 H ATOM 10683 H2 TIP3 2722 51.084 60.816 52.375 1.00 0.00 WT1 H ATOM 10684 OH2 TIP3 2723 66.342 0.769 -16.542 1.00 0.00 WT1 O ATOM 10685 H1 TIP3 2723 66.601 1.169 -15.712 1.00 0.00 WT1 H ATOM 10686 H2 TIP3 2723 65.644 0.157 -16.307 1.00 0.00 WT1 H ATOM 10687 OH2 TIP3 2724 31.410 2.768 44.562 1.00 0.00 WT1 O ATOM 10688 H1 TIP3 2724 31.777 2.460 45.390 1.00 0.00 WT1 H ATOM 10689 H2 TIP3 2724 31.820 2.216 43.897 1.00 0.00 WT1 H ATOM 10690 OH2 TIP3 2725 20.735 31.222 11.406 1.00 0.00 WT1 O ATOM 10691 H1 TIP3 2725 20.591 31.355 12.343 1.00 0.00 WT1 H ATOM 10692 H2 TIP3 2725 21.635 30.902 11.344 1.00 0.00 WT1 H ATOM 10693 OH2 TIP3 2726 41.892 55.592 52.387 1.00 0.00 WT1 O ATOM 10694 H1 TIP3 2726 42.521 56.080 51.855 1.00 0.00 WT1 H ATOM 10695 H2 TIP3 2726 41.871 56.058 53.222 1.00 0.00 WT1 H ATOM 10696 OH2 TIP3 2727 85.995 54.084 36.831 1.00 0.00 WT1 O ATOM 10697 H1 TIP3 2727 85.825 54.731 37.517 1.00 0.00 WT1 H ATOM 10698 H2 TIP3 2727 86.236 54.605 36.065 1.00 0.00 WT1 H ATOM 10699 OH2 TIP3 2728 79.954 84.186 45.479 1.00 0.00 WT1 O ATOM 10700 H1 TIP3 2728 80.681 83.613 45.236 1.00 0.00 WT1 H ATOM 10701 H2 TIP3 2728 79.820 84.021 46.412 1.00 0.00 WT1 H ATOM 10702 OH2 TIP3 2729 59.605 12.812 -9.276 1.00 0.00 WT1 O ATOM 10703 H1 TIP3 2729 59.081 12.674 -8.488 1.00 0.00 WT1 H ATOM 10704 H2 TIP3 2729 59.214 12.231 -9.929 1.00 0.00 WT1 H ATOM 10705 OH2 TIP3 2730 28.656 11.581 47.973 1.00 0.00 WT1 O ATOM 10706 H1 TIP3 2730 29.540 11.903 47.794 1.00 0.00 WT1 H ATOM 10707 H2 TIP3 2730 28.164 11.775 47.175 1.00 0.00 WT1 H ATOM 10708 OH2 TIP3 2732 30.212 78.003 2.569 1.00 0.00 WT1 O ATOM 10709 H1 TIP3 2732 29.886 78.549 1.854 1.00 0.00 WT1 H ATOM 10710 H2 TIP3 2732 29.821 78.381 3.357 1.00 0.00 WT1 H ATOM 10711 OH2 TIP3 2733 64.849 83.156 52.457 1.00 0.00 WT1 O ATOM 10712 H1 TIP3 2733 64.459 83.261 53.325 1.00 0.00 WT1 H ATOM 10713 H2 TIP3 2733 64.720 82.231 52.246 1.00 0.00 WT1 H ATOM 10714 OH2 TIP3 2734 43.135 89.440 57.821 1.00 0.00 WT1 O ATOM 10715 H1 TIP3 2734 43.537 88.574 57.751 1.00 0.00 WT1 H ATOM 10716 H2 TIP3 2734 43.762 89.955 58.329 1.00 0.00 WT1 H ATOM 10717 OH2 TIP3 2735 35.299 22.850 31.658 1.00 0.00 WT1 O ATOM 10718 H1 TIP3 2735 35.600 23.615 32.149 1.00 0.00 WT1 H ATOM 10719 H2 TIP3 2735 34.542 22.531 32.150 1.00 0.00 WT1 H ATOM 10720 OH2 TIP3 2736 77.149 45.838 0.761 1.00 0.00 WT1 O ATOM 10721 H1 TIP3 2736 77.665 46.479 1.250 1.00 0.00 WT1 H ATOM 10722 H2 TIP3 2736 76.337 45.753 1.261 1.00 0.00 WT1 H ATOM 10723 OH2 TIP3 2737 27.012 14.941 10.131 1.00 0.00 WT1 O ATOM 10724 H1 TIP3 2737 27.268 14.019 10.152 1.00 0.00 WT1 H ATOM 10725 H2 TIP3 2737 26.561 15.084 10.963 1.00 0.00 WT1 H ATOM 10726 OH2 TIP3 2738 29.088 91.267 41.142 1.00 0.00 WT1 O ATOM 10727 H1 TIP3 2738 28.542 92.038 40.990 1.00 0.00 WT1 H ATOM 10728 H2 TIP3 2738 28.601 90.545 40.745 1.00 0.00 WT1 H ATOM 10729 OH2 TIP3 2739 50.359 18.107 3.252 1.00 0.00 WT1 O ATOM 10730 H1 TIP3 2739 50.619 18.467 2.404 1.00 0.00 WT1 H ATOM 10731 H2 TIP3 2739 49.402 18.111 3.232 1.00 0.00 WT1 H ATOM 10732 OH2 TIP3 2740 27.055 77.990 56.382 1.00 0.00 WT1 O ATOM 10733 H1 TIP3 2740 26.143 78.189 56.591 1.00 0.00 WT1 H ATOM 10734 H2 TIP3 2740 27.265 78.567 55.648 1.00 0.00 WT1 H ATOM 10735 OH2 TIP3 2741 23.860 72.644 -0.907 1.00 0.00 WT1 O ATOM 10736 H1 TIP3 2741 23.072 73.185 -0.965 1.00 0.00 WT1 H ATOM 10737 H2 TIP3 2741 24.278 72.916 -0.090 1.00 0.00 WT1 H ATOM 10738 OH2 TIP3 2742 66.337 29.190 31.165 1.00 0.00 WT1 O ATOM 10739 H1 TIP3 2742 66.469 29.444 30.252 1.00 0.00 WT1 H ATOM 10740 H2 TIP3 2742 65.638 28.538 31.134 1.00 0.00 WT1 H ATOM 10741 OH2 TIP3 2743 46.666 2.715 -14.268 1.00 0.00 WT1 O ATOM 10742 H1 TIP3 2743 46.985 3.298 -13.578 1.00 0.00 WT1 H ATOM 10743 H2 TIP3 2743 46.737 1.838 -13.893 1.00 0.00 WT1 H ATOM 10744 OH2 TIP3 2744 49.692 19.784 44.844 1.00 0.00 WT1 O ATOM 10745 H1 TIP3 2744 49.424 18.892 44.622 1.00 0.00 WT1 H ATOM 10746 H2 TIP3 2744 48.873 20.278 44.885 1.00 0.00 WT1 H ATOM 10747 OH2 TIP3 2745 42.471 19.932 49.601 1.00 0.00 WT1 O ATOM 10748 H1 TIP3 2745 41.526 20.029 49.489 1.00 0.00 WT1 H ATOM 10749 H2 TIP3 2745 42.838 20.162 48.747 1.00 0.00 WT1 H ATOM 10750 OH2 TIP3 2746 29.448 91.608 31.716 1.00 0.00 WT1 O ATOM 10751 H1 TIP3 2746 29.745 92.517 31.657 1.00 0.00 WT1 H ATOM 10752 H2 TIP3 2746 29.897 91.260 32.487 1.00 0.00 WT1 H ATOM 10753 OH2 TIP3 2747 65.110 4.012 -2.825 1.00 0.00 WT1 O ATOM 10754 H1 TIP3 2747 65.609 4.652 -2.318 1.00 0.00 WT1 H ATOM 10755 H2 TIP3 2747 65.775 3.473 -3.253 1.00 0.00 WT1 H ATOM 10756 OH2 TIP3 2748 28.011 18.885 10.685 1.00 0.00 WT1 O ATOM 10757 H1 TIP3 2748 28.524 19.274 9.977 1.00 0.00 WT1 H ATOM 10758 H2 TIP3 2748 28.655 18.428 11.226 1.00 0.00 WT1 H ATOM 10759 OH2 TIP3 2749 43.369 91.822 -8.311 1.00 0.00 WT1 O ATOM 10760 H1 TIP3 2749 43.319 90.879 -8.156 1.00 0.00 WT1 H ATOM 10761 H2 TIP3 2749 42.486 92.143 -8.126 1.00 0.00 WT1 H ATOM 10762 OH2 TIP3 2750 48.157 85.150 -1.312 1.00 0.00 WT1 O ATOM 10763 H1 TIP3 2750 48.555 85.187 -0.442 1.00 0.00 WT1 H ATOM 10764 H2 TIP3 2750 48.659 85.777 -1.832 1.00 0.00 WT1 H ATOM 10765 OH2 TIP3 2752 23.283 38.234 17.604 1.00 0.00 WT1 O ATOM 10766 H1 TIP3 2752 23.845 39.009 17.603 1.00 0.00 WT1 H ATOM 10767 H2 TIP3 2752 22.597 38.433 16.968 1.00 0.00 WT1 H ATOM 10768 OH2 TIP3 2753 30.447 18.940 15.692 1.00 0.00 WT1 O ATOM 10769 H1 TIP3 2753 30.208 19.725 16.183 1.00 0.00 WT1 H ATOM 10770 H2 TIP3 2753 31.277 19.164 15.271 1.00 0.00 WT1 H ATOM 10771 OH2 TIP3 2754 52.272 25.656 58.630 1.00 0.00 WT1 O ATOM 10772 H1 TIP3 2754 51.600 25.831 57.971 1.00 0.00 WT1 H ATOM 10773 H2 TIP3 2754 52.956 26.301 58.452 1.00 0.00 WT1 H ATOM 10774 OH2 TIP3 2755 40.813 91.270 -2.464 1.00 0.00 WT1 O ATOM 10775 H1 TIP3 2755 40.351 92.086 -2.274 1.00 0.00 WT1 H ATOM 10776 H2 TIP3 2755 41.126 90.968 -1.611 1.00 0.00 WT1 H ATOM 10777 OH2 TIP3 2756 36.725 19.752 -0.390 1.00 0.00 WT1 O ATOM 10778 H1 TIP3 2756 36.609 20.143 -1.256 1.00 0.00 WT1 H ATOM 10779 H2 TIP3 2756 36.688 18.808 -0.547 1.00 0.00 WT1 H ATOM 10780 OH2 TIP3 2757 83.637 62.600 -13.874 1.00 0.00 WT1 O ATOM 10781 H1 TIP3 2757 82.943 61.978 -14.093 1.00 0.00 WT1 H ATOM 10782 H2 TIP3 2757 83.514 62.780 -12.942 1.00 0.00 WT1 H ATOM 10783 OH2 TIP3 2758 27.329 75.344 10.578 1.00 0.00 WT1 O ATOM 10784 H1 TIP3 2758 27.625 75.887 11.309 1.00 0.00 WT1 H ATOM 10785 H2 TIP3 2758 28.070 75.332 9.972 1.00 0.00 WT1 H ATOM 10786 OH2 TIP3 2760 63.042 31.747 18.902 1.00 0.00 WT1 O ATOM 10787 H1 TIP3 2760 62.741 32.023 18.037 1.00 0.00 WT1 H ATOM 10788 H2 TIP3 2760 62.259 31.782 19.451 1.00 0.00 WT1 H ATOM 10789 OH2 TIP3 2761 48.313 85.062 -7.788 1.00 0.00 WT1 O ATOM 10790 H1 TIP3 2761 48.917 84.478 -7.329 1.00 0.00 WT1 H ATOM 10791 H2 TIP3 2761 47.452 84.662 -7.666 1.00 0.00 WT1 H ATOM 10792 OH2 TIP3 2763 39.824 64.353 39.060 1.00 0.00 WT1 O ATOM 10793 H1 TIP3 2763 40.591 64.925 39.070 1.00 0.00 WT1 H ATOM 10794 H2 TIP3 2763 39.403 64.501 39.906 1.00 0.00 WT1 H ATOM 10795 OH2 TIP3 2764 46.980 52.210 -12.161 1.00 0.00 WT1 O ATOM 10796 H1 TIP3 2764 46.902 52.837 -11.442 1.00 0.00 WT1 H ATOM 10797 H2 TIP3 2764 46.575 52.650 -12.908 1.00 0.00 WT1 H ATOM 10798 OH2 TIP3 2765 39.180 19.462 12.731 1.00 0.00 WT1 O ATOM 10799 H1 TIP3 2765 38.227 19.532 12.783 1.00 0.00 WT1 H ATOM 10800 H2 TIP3 2765 39.335 18.675 12.209 1.00 0.00 WT1 H ATOM 10801 OH2 TIP3 2766 60.388 17.828 58.722 1.00 0.00 WT1 O ATOM 10802 H1 TIP3 2766 60.673 18.597 59.216 1.00 0.00 WT1 H ATOM 10803 H2 TIP3 2766 60.461 17.104 59.343 1.00 0.00 WT1 H ATOM 10804 OH2 TIP3 2767 89.654 61.031 -11.240 1.00 0.00 WT1 O ATOM 10805 H1 TIP3 2767 90.017 60.855 -12.108 1.00 0.00 WT1 H ATOM 10806 H2 TIP3 2767 90.061 61.855 -10.972 1.00 0.00 WT1 H ATOM 10807 OH2 TIP3 2769 33.839 50.871 61.625 1.00 0.00 WT1 O ATOM 10808 H1 TIP3 2769 33.497 51.574 61.073 1.00 0.00 WT1 H ATOM 10809 H2 TIP3 2769 33.658 51.158 62.520 1.00 0.00 WT1 H ATOM 10810 OH2 TIP3 2770 54.166 90.649 -0.315 1.00 0.00 WT1 O ATOM 10811 H1 TIP3 2770 54.025 89.787 -0.706 1.00 0.00 WT1 H ATOM 10812 H2 TIP3 2770 53.694 91.253 -0.889 1.00 0.00 WT1 H ATOM 10813 OH2 TIP3 2771 50.368 72.214 -16.049 1.00 0.00 WT1 O ATOM 10814 H1 TIP3 2771 50.283 73.133 -16.304 1.00 0.00 WT1 H ATOM 10815 H2 TIP3 2771 49.797 72.123 -15.286 1.00 0.00 WT1 H ATOM 10816 OH2 TIP3 2772 46.863 18.043 27.704 1.00 0.00 WT1 O ATOM 10817 H1 TIP3 2772 46.135 18.117 27.086 1.00 0.00 WT1 H ATOM 10818 H2 TIP3 2772 47.460 18.750 27.458 1.00 0.00 WT1 H ATOM 10819 OH2 TIP3 2774 67.715 51.551 -16.361 1.00 0.00 WT1 O ATOM 10820 H1 TIP3 2774 67.574 51.164 -15.498 1.00 0.00 WT1 H ATOM 10821 H2 TIP3 2774 66.907 51.372 -16.841 1.00 0.00 WT1 H ATOM 10822 OH2 TIP3 2775 68.762 29.467 16.951 1.00 0.00 WT1 O ATOM 10823 H1 TIP3 2775 68.211 29.999 16.377 1.00 0.00 WT1 H ATOM 10824 H2 TIP3 2775 68.223 29.313 17.727 1.00 0.00 WT1 H ATOM 10825 OH2 TIP3 2776 58.807 33.576 -6.247 1.00 0.00 WT1 O ATOM 10826 H1 TIP3 2776 58.802 34.530 -6.325 1.00 0.00 WT1 H ATOM 10827 H2 TIP3 2776 58.607 33.409 -5.326 1.00 0.00 WT1 H ATOM 10828 OH2 TIP3 2777 43.820 81.942 53.159 1.00 0.00 WT1 O ATOM 10829 H1 TIP3 2777 44.757 81.827 53.000 1.00 0.00 WT1 H ATOM 10830 H2 TIP3 2777 43.410 81.188 52.735 1.00 0.00 WT1 H ATOM 10831 OH2 TIP3 2778 21.870 35.019 21.221 1.00 0.00 WT1 O ATOM 10832 H1 TIP3 2778 21.279 34.539 21.802 1.00 0.00 WT1 H ATOM 10833 H2 TIP3 2778 22.579 35.316 21.791 1.00 0.00 WT1 H ATOM 10834 OH2 TIP3 2779 88.846 73.508 43.621 1.00 0.00 WT1 O ATOM 10835 H1 TIP3 2779 89.410 72.805 43.298 1.00 0.00 WT1 H ATOM 10836 H2 TIP3 2779 88.190 73.062 44.156 1.00 0.00 WT1 H ATOM 10837 OH2 TIP3 2780 44.979 31.375 -14.131 1.00 0.00 WT1 O ATOM 10838 H1 TIP3 2780 45.296 31.910 -13.403 1.00 0.00 WT1 H ATOM 10839 H2 TIP3 2780 44.554 30.626 -13.712 1.00 0.00 WT1 H ATOM 10840 OH2 TIP3 2781 23.800 6.136 64.485 1.00 0.00 WT1 O ATOM 10841 H1 TIP3 2781 23.468 5.348 64.054 1.00 0.00 WT1 H ATOM 10842 H2 TIP3 2781 23.684 6.831 63.837 1.00 0.00 WT1 H ATOM 10843 OH2 TIP3 2784 52.765 32.707 0.084 1.00 0.00 WT1 O ATOM 10844 H1 TIP3 2784 52.564 32.669 1.019 1.00 0.00 WT1 H ATOM 10845 H2 TIP3 2784 52.225 32.020 -0.306 1.00 0.00 WT1 H ATOM 10846 OH2 TIP3 2785 72.650 35.578 52.786 1.00 0.00 WT1 O ATOM 10847 H1 TIP3 2785 72.466 34.639 52.824 1.00 0.00 WT1 H ATOM 10848 H2 TIP3 2785 73.576 35.631 52.548 1.00 0.00 WT1 H ATOM 10849 OH2 TIP3 2786 54.988 82.774 32.924 1.00 0.00 WT1 O ATOM 10850 H1 TIP3 2786 55.208 82.195 32.194 1.00 0.00 WT1 H ATOM 10851 H2 TIP3 2786 54.236 82.356 33.344 1.00 0.00 WT1 H ATOM 10852 OH2 TIP3 2788 57.266 95.861 55.301 1.00 0.00 WT1 O ATOM 10853 H1 TIP3 2788 58.169 95.714 55.020 1.00 0.00 WT1 H ATOM 10854 H2 TIP3 2788 56.734 95.413 54.643 1.00 0.00 WT1 H ATOM 10855 OH2 TIP3 2789 86.156 40.438 33.274 1.00 0.00 WT1 O ATOM 10856 H1 TIP3 2789 87.013 40.025 33.381 1.00 0.00 WT1 H ATOM 10857 H2 TIP3 2789 85.615 39.765 32.860 1.00 0.00 WT1 H ATOM 10858 OH2 TIP3 2791 68.848 13.046 1.431 1.00 0.00 WT1 O ATOM 10859 H1 TIP3 2791 68.408 12.789 0.622 1.00 0.00 WT1 H ATOM 10860 H2 TIP3 2791 68.259 12.757 2.128 1.00 0.00 WT1 H ATOM 10861 OH2 TIP3 2792 49.008 17.422 32.519 1.00 0.00 WT1 O ATOM 10862 H1 TIP3 2792 49.945 17.249 32.609 1.00 0.00 WT1 H ATOM 10863 H2 TIP3 2792 48.606 16.554 32.481 1.00 0.00 WT1 H ATOM 10864 OH2 TIP3 2794 64.121 45.528 -3.141 1.00 0.00 WT1 O ATOM 10865 H1 TIP3 2794 63.326 46.061 -3.163 1.00 0.00 WT1 H ATOM 10866 H2 TIP3 2794 64.060 45.041 -2.319 1.00 0.00 WT1 H ATOM 10867 OH2 TIP3 2795 21.562 45.015 52.588 1.00 0.00 WT1 O ATOM 10868 H1 TIP3 2795 20.868 45.651 52.765 1.00 0.00 WT1 H ATOM 10869 H2 TIP3 2795 21.187 44.426 51.934 1.00 0.00 WT1 H ATOM 10870 OH2 TIP3 2796 34.921 60.766 5.191 1.00 0.00 WT1 O ATOM 10871 H1 TIP3 2796 34.462 61.364 5.781 1.00 0.00 WT1 H ATOM 10872 H2 TIP3 2796 35.544 60.305 5.753 1.00 0.00 WT1 H ATOM 10873 OH2 TIP3 2797 50.022 15.618 63.444 1.00 0.00 WT1 O ATOM 10874 H1 TIP3 2797 50.692 15.133 62.962 1.00 0.00 WT1 H ATOM 10875 H2 TIP3 2797 50.277 15.531 64.363 1.00 0.00 WT1 H ATOM 10876 OH2 TIP3 2798 37.937 93.835 -18.548 1.00 0.00 WT1 O ATOM 10877 H1 TIP3 2798 38.503 94.352 -17.975 1.00 0.00 WT1 H ATOM 10878 H2 TIP3 2798 38.386 92.994 -18.634 1.00 0.00 WT1 H ATOM 10879 OH2 TIP3 2800 33.444 33.177 22.162 1.00 0.00 WT1 O ATOM 10880 H1 TIP3 2800 32.794 33.004 22.843 1.00 0.00 WT1 H ATOM 10881 H2 TIP3 2800 34.251 33.364 22.642 1.00 0.00 WT1 H ATOM 10882 OH2 TIP3 2801 45.914 60.163 8.320 1.00 0.00 WT1 O ATOM 10883 H1 TIP3 2801 46.650 60.285 7.720 1.00 0.00 WT1 H ATOM 10884 H2 TIP3 2801 46.256 60.422 9.175 1.00 0.00 WT1 H ATOM 10885 OH2 TIP3 2802 80.206 38.725 47.290 1.00 0.00 WT1 O ATOM 10886 H1 TIP3 2802 80.565 39.326 46.638 1.00 0.00 WT1 H ATOM 10887 H2 TIP3 2802 80.817 38.774 48.025 1.00 0.00 WT1 H ATOM 10888 OH2 TIP3 2804 80.741 29.160 34.237 1.00 0.00 WT1 O ATOM 10889 H1 TIP3 2804 80.633 28.473 33.579 1.00 0.00 WT1 H ATOM 10890 H2 TIP3 2804 80.333 29.932 33.846 1.00 0.00 WT1 H ATOM 10891 OH2 TIP3 2806 35.811 20.848 43.091 1.00 0.00 WT1 O ATOM 10892 H1 TIP3 2806 35.207 20.165 42.801 1.00 0.00 WT1 H ATOM 10893 H2 TIP3 2806 36.402 20.976 42.350 1.00 0.00 WT1 H ATOM 10894 OH2 TIP3 2809 30.388 17.835 28.111 1.00 0.00 WT1 O ATOM 10895 H1 TIP3 2809 30.925 17.338 28.729 1.00 0.00 WT1 H ATOM 10896 H2 TIP3 2809 29.841 18.393 28.665 1.00 0.00 WT1 H ATOM 10897 OH2 TIP3 2810 80.567 74.573 34.711 1.00 0.00 WT1 O ATOM 10898 H1 TIP3 2810 81.327 74.323 35.236 1.00 0.00 WT1 H ATOM 10899 H2 TIP3 2810 80.727 75.487 34.477 1.00 0.00 WT1 H ATOM 10900 OH2 TIP3 2811 64.322 27.407 52.754 1.00 0.00 WT1 O ATOM 10901 H1 TIP3 2811 63.704 27.263 53.471 1.00 0.00 WT1 H ATOM 10902 H2 TIP3 2811 64.063 26.775 52.084 1.00 0.00 WT1 H ATOM 10903 OH2 TIP3 2812 35.241 73.181 23.902 1.00 0.00 WT1 O ATOM 10904 H1 TIP3 2812 36.133 73.498 24.044 1.00 0.00 WT1 H ATOM 10905 H2 TIP3 2812 35.349 72.379 23.392 1.00 0.00 WT1 H ATOM 10906 OH2 TIP3 2813 22.216 75.130 35.605 1.00 0.00 WT1 O ATOM 10907 H1 TIP3 2813 22.389 75.385 34.698 1.00 0.00 WT1 H ATOM 10908 H2 TIP3 2813 23.070 75.180 36.035 1.00 0.00 WT1 H ATOM 10909 OH2 TIP3 2814 66.591 44.728 -17.112 1.00 0.00 WT1 O ATOM 10910 H1 TIP3 2814 65.648 44.777 -16.959 1.00 0.00 WT1 H ATOM 10911 H2 TIP3 2814 66.981 45.148 -16.345 1.00 0.00 WT1 H ATOM 10912 OH2 TIP3 2815 43.010 89.181 15.437 1.00 0.00 WT1 O ATOM 10913 H1 TIP3 2815 43.422 88.960 14.601 1.00 0.00 WT1 H ATOM 10914 H2 TIP3 2815 42.653 90.059 15.304 1.00 0.00 WT1 H ATOM 10915 OH2 TIP3 2816 85.398 21.015 11.115 1.00 0.00 WT1 O ATOM 10916 H1 TIP3 2816 85.402 20.665 10.224 1.00 0.00 WT1 H ATOM 10917 H2 TIP3 2816 84.479 21.217 11.290 1.00 0.00 WT1 H ATOM 10918 OH2 TIP3 2817 74.757 7.978 60.244 1.00 0.00 WT1 O ATOM 10919 H1 TIP3 2817 74.119 7.266 60.305 1.00 0.00 WT1 H ATOM 10920 H2 TIP3 2817 74.422 8.650 60.837 1.00 0.00 WT1 H ATOM 10921 OH2 TIP3 2818 32.702 15.283 1.254 1.00 0.00 WT1 O ATOM 10922 H1 TIP3 2818 31.913 15.732 0.952 1.00 0.00 WT1 H ATOM 10923 H2 TIP3 2818 33.297 15.312 0.505 1.00 0.00 WT1 H ATOM 10924 OH2 TIP3 2819 50.571 66.963 -10.554 1.00 0.00 WT1 O ATOM 10925 H1 TIP3 2819 50.026 66.744 -9.798 1.00 0.00 WT1 H ATOM 10926 H2 TIP3 2819 51.365 66.443 -10.436 1.00 0.00 WT1 H ATOM 10927 OH2 TIP3 2820 36.431 29.706 27.252 1.00 0.00 WT1 O ATOM 10928 H1 TIP3 2820 37.212 30.244 27.383 1.00 0.00 WT1 H ATOM 10929 H2 TIP3 2820 36.237 29.350 28.118 1.00 0.00 WT1 H ATOM 10930 OH2 TIP3 2821 35.465 95.531 28.634 1.00 0.00 WT1 O ATOM 10931 H1 TIP3 2821 36.133 95.793 28.000 1.00 0.00 WT1 H ATOM 10932 H2 TIP3 2821 35.406 96.270 29.239 1.00 0.00 WT1 H ATOM 10933 OH2 TIP3 2822 78.287 52.489 -5.674 1.00 0.00 WT1 O ATOM 10934 H1 TIP3 2822 78.170 53.101 -4.948 1.00 0.00 WT1 H ATOM 10935 H2 TIP3 2822 77.449 52.029 -5.738 1.00 0.00 WT1 H ATOM 10936 OH2 TIP3 2823 80.191 95.293 2.645 1.00 0.00 WT1 O ATOM 10937 H1 TIP3 2823 80.286 94.588 2.004 1.00 0.00 WT1 H ATOM 10938 H2 TIP3 2823 79.320 95.653 2.479 1.00 0.00 WT1 H ATOM 10939 OH2 TIP3 2824 45.039 24.030 32.173 1.00 0.00 WT1 O ATOM 10940 H1 TIP3 2824 44.291 24.368 31.679 1.00 0.00 WT1 H ATOM 10941 H2 TIP3 2824 45.230 23.183 31.770 1.00 0.00 WT1 H ATOM 10942 OH2 TIP3 2825 49.117 41.879 27.221 1.00 0.00 WT1 O ATOM 10943 H1 TIP3 2825 49.899 41.820 26.672 1.00 0.00 WT1 H ATOM 10944 H2 TIP3 2825 48.396 41.990 26.601 1.00 0.00 WT1 H ATOM 10945 OH2 TIP3 2826 31.759 33.520 4.860 1.00 0.00 WT1 O ATOM 10946 H1 TIP3 2826 31.466 33.618 3.954 1.00 0.00 WT1 H ATOM 10947 H2 TIP3 2826 31.283 32.756 5.185 1.00 0.00 WT1 H ATOM 10948 OH2 TIP3 2827 25.134 14.148 41.832 1.00 0.00 WT1 O ATOM 10949 H1 TIP3 2827 25.455 14.347 42.712 1.00 0.00 WT1 H ATOM 10950 H2 TIP3 2827 25.784 14.536 41.246 1.00 0.00 WT1 H ATOM 10951 OH2 TIP3 2830 31.686 8.368 58.492 1.00 0.00 WT1 O ATOM 10952 H1 TIP3 2830 31.096 8.980 58.050 1.00 0.00 WT1 H ATOM 10953 H2 TIP3 2830 32.234 8.015 57.791 1.00 0.00 WT1 H ATOM 10954 OH2 TIP3 2831 89.188 55.472 -0.258 1.00 0.00 WT1 O ATOM 10955 H1 TIP3 2831 89.757 55.715 0.473 1.00 0.00 WT1 H ATOM 10956 H2 TIP3 2831 89.660 55.766 -1.037 1.00 0.00 WT1 H ATOM 10957 OH2 TIP3 2832 35.050 11.863 -17.850 1.00 0.00 WT1 O ATOM 10958 H1 TIP3 2832 35.927 11.514 -18.013 1.00 0.00 WT1 H ATOM 10959 H2 TIP3 2832 34.569 11.689 -18.659 1.00 0.00 WT1 H ATOM 10960 OH2 TIP3 2833 59.929 10.940 -11.545 1.00 0.00 WT1 O ATOM 10961 H1 TIP3 2833 59.865 10.002 -11.368 1.00 0.00 WT1 H ATOM 10962 H2 TIP3 2833 60.840 11.160 -11.345 1.00 0.00 WT1 H ATOM 10963 OH2 TIP3 2834 81.730 45.321 49.588 1.00 0.00 WT1 O ATOM 10964 H1 TIP3 2834 80.856 45.402 49.969 1.00 0.00 WT1 H ATOM 10965 H2 TIP3 2834 82.155 46.156 49.782 1.00 0.00 WT1 H ATOM 10966 OH2 TIP3 2835 38.433 44.933 41.762 1.00 0.00 WT1 O ATOM 10967 H1 TIP3 2835 37.812 44.571 42.394 1.00 0.00 WT1 H ATOM 10968 H2 TIP3 2835 38.480 44.275 41.068 1.00 0.00 WT1 H ATOM 10969 OH2 TIP3 2836 55.537 1.669 -6.210 1.00 0.00 WT1 O ATOM 10970 H1 TIP3 2836 55.150 1.209 -6.955 1.00 0.00 WT1 H ATOM 10971 H2 TIP3 2836 54.823 2.202 -5.860 1.00 0.00 WT1 H ATOM 10972 OH2 TIP3 2837 31.355 25.775 18.968 1.00 0.00 WT1 O ATOM 10973 H1 TIP3 2837 30.762 26.517 18.854 1.00 0.00 WT1 H ATOM 10974 H2 TIP3 2837 30.854 25.018 18.665 1.00 0.00 WT1 H ATOM 10975 OH2 TIP3 2838 25.379 43.266 -18.468 1.00 0.00 WT1 O ATOM 10976 H1 TIP3 2838 25.305 43.867 -17.727 1.00 0.00 WT1 H ATOM 10977 H2 TIP3 2838 24.477 43.002 -18.654 1.00 0.00 WT1 H ATOM 10978 OH2 TIP3 2839 85.404 67.638 32.680 1.00 0.00 WT1 O ATOM 10979 H1 TIP3 2839 84.524 67.298 32.843 1.00 0.00 WT1 H ATOM 10980 H2 TIP3 2839 85.585 68.205 33.430 1.00 0.00 WT1 H ATOM 10981 OH2 TIP3 2840 68.743 25.074 -15.984 1.00 0.00 WT1 O ATOM 10982 H1 TIP3 2840 67.803 25.003 -15.819 1.00 0.00 WT1 H ATOM 10983 H2 TIP3 2840 69.031 24.172 -16.125 1.00 0.00 WT1 H ATOM 10984 OH2 TIP3 2841 69.408 45.237 53.088 1.00 0.00 WT1 O ATOM 10985 H1 TIP3 2841 69.206 46.155 53.273 1.00 0.00 WT1 H ATOM 10986 H2 TIP3 2841 69.483 44.830 53.951 1.00 0.00 WT1 H ATOM 10987 OH2 TIP3 2842 75.957 32.555 -17.161 1.00 0.00 WT1 O ATOM 10988 H1 TIP3 2842 76.852 32.783 -16.910 1.00 0.00 WT1 H ATOM 10989 H2 TIP3 2842 76.023 31.663 -17.503 1.00 0.00 WT1 H ATOM 10990 OH2 TIP3 2843 22.296 12.246 -17.551 1.00 0.00 WT1 O ATOM 10991 H1 TIP3 2843 21.560 11.646 -17.671 1.00 0.00 WT1 H ATOM 10992 H2 TIP3 2843 21.909 13.119 -17.621 1.00 0.00 WT1 H ATOM 10993 OH2 TIP3 2844 21.735 49.197 21.393 1.00 0.00 WT1 O ATOM 10994 H1 TIP3 2844 20.928 48.982 21.860 1.00 0.00 WT1 H ATOM 10995 H2 TIP3 2844 22.165 49.850 21.946 1.00 0.00 WT1 H ATOM 10996 OH2 TIP3 2845 40.728 3.202 13.659 1.00 0.00 WT1 O ATOM 10997 H1 TIP3 2845 40.753 4.072 14.056 1.00 0.00 WT1 H ATOM 10998 H2 TIP3 2845 40.666 2.601 14.401 1.00 0.00 WT1 H ATOM 10999 OH2 TIP3 2846 32.184 19.604 6.020 1.00 0.00 WT1 O ATOM 11000 H1 TIP3 2846 32.070 20.375 6.576 1.00 0.00 WT1 H ATOM 11001 H2 TIP3 2846 32.988 19.194 6.340 1.00 0.00 WT1 H ATOM 11002 OH2 TIP3 2849 58.032 15.266 38.869 1.00 0.00 WT1 O ATOM 11003 H1 TIP3 2849 57.390 14.559 38.805 1.00 0.00 WT1 H ATOM 11004 H2 TIP3 2849 57.512 16.047 39.056 1.00 0.00 WT1 H ATOM 11005 OH2 TIP3 2851 64.720 59.703 27.109 1.00 0.00 WT1 O ATOM 11006 H1 TIP3 2851 64.183 59.732 26.317 1.00 0.00 WT1 H ATOM 11007 H2 TIP3 2851 64.165 59.272 27.759 1.00 0.00 WT1 H ATOM 11008 OH2 TIP3 2852 88.810 48.100 9.493 1.00 0.00 WT1 O ATOM 11009 H1 TIP3 2852 89.144 48.006 10.385 1.00 0.00 WT1 H ATOM 11010 H2 TIP3 2852 89.129 47.323 9.034 1.00 0.00 WT1 H ATOM 11011 OH2 TIP3 2853 50.196 75.905 25.732 1.00 0.00 WT1 O ATOM 11012 H1 TIP3 2853 50.839 75.238 25.972 1.00 0.00 WT1 H ATOM 11013 H2 TIP3 2853 49.784 75.567 24.937 1.00 0.00 WT1 H ATOM 11014 OH2 TIP3 2854 49.621 46.442 46.836 1.00 0.00 WT1 O ATOM 11015 H1 TIP3 2854 49.266 47.307 46.632 1.00 0.00 WT1 H ATOM 11016 H2 TIP3 2854 50.526 46.610 47.099 1.00 0.00 WT1 H ATOM 11017 OH2 TIP3 2855 53.359 76.334 -9.919 1.00 0.00 WT1 O ATOM 11018 H1 TIP3 2855 52.499 76.177 -9.529 1.00 0.00 WT1 H ATOM 11019 H2 TIP3 2855 53.673 75.464 -10.166 1.00 0.00 WT1 H ATOM 11020 OH2 TIP3 2856 34.580 43.345 -11.422 1.00 0.00 WT1 O ATOM 11021 H1 TIP3 2856 34.356 43.718 -10.569 1.00 0.00 WT1 H ATOM 11022 H2 TIP3 2856 34.081 43.866 -12.051 1.00 0.00 WT1 H ATOM 11023 OH2 TIP3 2857 80.324 8.275 -14.606 1.00 0.00 WT1 O ATOM 11024 H1 TIP3 2857 80.085 8.386 -13.686 1.00 0.00 WT1 H ATOM 11025 H2 TIP3 2857 81.062 7.666 -14.591 1.00 0.00 WT1 H ATOM 11026 OH2 TIP3 2858 73.577 3.160 -16.711 1.00 0.00 WT1 O ATOM 11027 H1 TIP3 2858 72.871 2.550 -16.498 1.00 0.00 WT1 H ATOM 11028 H2 TIP3 2858 73.169 4.025 -16.660 1.00 0.00 WT1 H ATOM 11029 OH2 TIP3 2859 53.148 31.884 9.286 1.00 0.00 WT1 O ATOM 11030 H1 TIP3 2859 53.455 32.007 10.184 1.00 0.00 WT1 H ATOM 11031 H2 TIP3 2859 52.227 31.640 9.379 1.00 0.00 WT1 H ATOM 11032 OH2 TIP3 2860 90.290 4.115 60.185 1.00 0.00 WT1 O ATOM 11033 H1 TIP3 2860 89.952 4.962 60.476 1.00 0.00 WT1 H ATOM 11034 H2 TIP3 2860 91.239 4.188 60.285 1.00 0.00 WT1 H ATOM 11035 OH2 TIP3 2861 81.409 88.185 46.755 1.00 0.00 WT1 O ATOM 11036 H1 TIP3 2861 80.654 88.361 46.194 1.00 0.00 WT1 H ATOM 11037 H2 TIP3 2861 82.166 88.422 46.219 1.00 0.00 WT1 H ATOM 11038 OH2 TIP3 2862 86.061 77.985 1.647 1.00 0.00 WT1 O ATOM 11039 H1 TIP3 2862 86.758 77.353 1.472 1.00 0.00 WT1 H ATOM 11040 H2 TIP3 2862 85.541 77.998 0.844 1.00 0.00 WT1 H ATOM 11041 OH2 TIP3 2863 56.322 16.540 -11.418 1.00 0.00 WT1 O ATOM 11042 H1 TIP3 2863 57.227 16.228 -11.427 1.00 0.00 WT1 H ATOM 11043 H2 TIP3 2863 56.395 17.481 -11.259 1.00 0.00 WT1 H ATOM 11044 OH2 TIP3 2864 44.495 43.382 24.376 1.00 0.00 WT1 O ATOM 11045 H1 TIP3 2864 44.803 44.023 25.016 1.00 0.00 WT1 H ATOM 11046 H2 TIP3 2864 45.155 43.400 23.682 1.00 0.00 WT1 H ATOM 11047 OH2 TIP3 2865 72.349 47.694 48.430 1.00 0.00 WT1 O ATOM 11048 H1 TIP3 2865 71.760 47.950 49.139 1.00 0.00 WT1 H ATOM 11049 H2 TIP3 2865 72.156 46.769 48.280 1.00 0.00 WT1 H ATOM 11050 OH2 TIP3 2866 41.332 46.618 7.344 1.00 0.00 WT1 O ATOM 11051 H1 TIP3 2866 42.055 47.197 7.586 1.00 0.00 WT1 H ATOM 11052 H2 TIP3 2866 40.650 46.801 7.990 1.00 0.00 WT1 H ATOM 11053 OH2 TIP3 2867 40.955 58.980 -14.937 1.00 0.00 WT1 O ATOM 11054 H1 TIP3 2867 40.781 59.676 -15.570 1.00 0.00 WT1 H ATOM 11055 H2 TIP3 2867 41.104 59.438 -14.110 1.00 0.00 WT1 H ATOM 11056 OH2 TIP3 2868 45.463 45.118 -3.170 1.00 0.00 WT1 O ATOM 11057 H1 TIP3 2868 46.286 45.541 -3.417 1.00 0.00 WT1 H ATOM 11058 H2 TIP3 2868 45.198 45.562 -2.365 1.00 0.00 WT1 H ATOM 11059 OH2 TIP3 2871 47.394 44.981 49.728 1.00 0.00 WT1 O ATOM 11060 H1 TIP3 2871 47.399 45.795 49.224 1.00 0.00 WT1 H ATOM 11061 H2 TIP3 2871 47.419 44.289 49.067 1.00 0.00 WT1 H ATOM 11062 OH2 TIP3 2872 49.711 69.597 51.237 1.00 0.00 WT1 O ATOM 11063 H1 TIP3 2872 49.257 68.758 51.315 1.00 0.00 WT1 H ATOM 11064 H2 TIP3 2872 49.756 69.759 50.295 1.00 0.00 WT1 H ATOM 11065 OH2 TIP3 2873 25.768 88.117 4.428 1.00 0.00 WT1 O ATOM 11066 H1 TIP3 2873 25.427 88.227 5.316 1.00 0.00 WT1 H ATOM 11067 H2 TIP3 2873 25.262 87.390 4.065 1.00 0.00 WT1 H ATOM 11068 OH2 TIP3 2874 67.513 96.091 2.806 1.00 0.00 WT1 O ATOM 11069 H1 TIP3 2874 66.970 96.554 2.168 1.00 0.00 WT1 H ATOM 11070 H2 TIP3 2874 68.113 96.758 3.139 1.00 0.00 WT1 H ATOM 11071 OH2 TIP3 2875 32.002 32.649 65.910 1.00 0.00 WT1 O ATOM 11072 H1 TIP3 2875 32.363 33.536 65.923 1.00 0.00 WT1 H ATOM 11073 H2 TIP3 2875 31.157 32.727 66.354 1.00 0.00 WT1 H ATOM 11074 OH2 TIP3 2876 83.342 88.678 37.828 1.00 0.00 WT1 O ATOM 11075 H1 TIP3 2876 83.121 89.296 37.130 1.00 0.00 WT1 H ATOM 11076 H2 TIP3 2876 83.931 89.166 38.403 1.00 0.00 WT1 H ATOM 11077 OH2 TIP3 2877 44.955 9.804 36.212 1.00 0.00 WT1 O ATOM 11078 H1 TIP3 2877 45.090 10.557 35.636 1.00 0.00 WT1 H ATOM 11079 H2 TIP3 2877 45.513 9.979 36.970 1.00 0.00 WT1 H ATOM 11080 OH2 TIP3 2878 69.887 17.986 14.072 1.00 0.00 WT1 O ATOM 11081 H1 TIP3 2878 69.447 17.415 13.442 1.00 0.00 WT1 H ATOM 11082 H2 TIP3 2878 70.818 17.903 13.863 1.00 0.00 WT1 H ATOM 11083 OH2 TIP3 2879 51.016 56.938 -3.434 1.00 0.00 WT1 O ATOM 11084 H1 TIP3 2879 51.441 56.841 -2.582 1.00 0.00 WT1 H ATOM 11085 H2 TIP3 2879 50.836 57.876 -3.507 1.00 0.00 WT1 H ATOM 11086 OH2 TIP3 2880 71.340 67.820 35.494 1.00 0.00 WT1 O ATOM 11087 H1 TIP3 2880 70.995 68.322 34.756 1.00 0.00 WT1 H ATOM 11088 H2 TIP3 2880 70.745 67.075 35.578 1.00 0.00 WT1 H ATOM 11089 OH2 TIP3 2881 70.468 57.408 10.652 1.00 0.00 WT1 O ATOM 11090 H1 TIP3 2881 69.729 56.939 11.041 1.00 0.00 WT1 H ATOM 11091 H2 TIP3 2881 71.073 56.718 10.380 1.00 0.00 WT1 H ATOM 11092 OH2 TIP3 2882 30.751 68.475 22.505 1.00 0.00 WT1 O ATOM 11093 H1 TIP3 2882 31.219 69.271 22.254 1.00 0.00 WT1 H ATOM 11094 H2 TIP3 2882 31.430 67.897 22.852 1.00 0.00 WT1 H ATOM 11095 OH2 TIP3 2883 23.510 71.920 44.972 1.00 0.00 WT1 O ATOM 11096 H1 TIP3 2883 23.287 71.013 45.179 1.00 0.00 WT1 H ATOM 11097 H2 TIP3 2883 24.082 71.858 44.207 1.00 0.00 WT1 H ATOM 11098 OH2 TIP3 2884 84.418 42.746 13.690 1.00 0.00 WT1 O ATOM 11099 H1 TIP3 2884 84.756 41.852 13.741 1.00 0.00 WT1 H ATOM 11100 H2 TIP3 2884 83.954 42.875 14.517 1.00 0.00 WT1 H ATOM 11101 OH2 TIP3 2886 55.706 3.863 -4.501 1.00 0.00 WT1 O ATOM 11102 H1 TIP3 2886 55.295 4.588 -4.971 1.00 0.00 WT1 H ATOM 11103 H2 TIP3 2886 56.584 3.800 -4.877 1.00 0.00 WT1 H ATOM 11104 OH2 TIP3 2887 89.598 34.916 56.575 1.00 0.00 WT1 O ATOM 11105 H1 TIP3 2887 89.771 34.055 56.195 1.00 0.00 WT1 H ATOM 11106 H2 TIP3 2887 90.423 35.165 56.992 1.00 0.00 WT1 H ATOM 11107 OH2 TIP3 2889 79.993 11.940 0.254 1.00 0.00 WT1 O ATOM 11108 H1 TIP3 2889 79.549 11.863 1.098 1.00 0.00 WT1 H ATOM 11109 H2 TIP3 2889 80.734 12.521 0.425 1.00 0.00 WT1 H ATOM 11110 OH2 TIP3 2890 47.463 52.437 62.326 1.00 0.00 WT1 O ATOM 11111 H1 TIP3 2890 46.731 52.220 61.749 1.00 0.00 WT1 H ATOM 11112 H2 TIP3 2890 47.055 52.619 63.173 1.00 0.00 WT1 H ATOM 11113 OH2 TIP3 2891 69.463 15.504 10.106 1.00 0.00 WT1 O ATOM 11114 H1 TIP3 2891 69.407 14.559 9.965 1.00 0.00 WT1 H ATOM 11115 H2 TIP3 2891 70.253 15.770 9.635 1.00 0.00 WT1 H ATOM 11116 OH2 TIP3 2894 44.538 9.107 8.590 1.00 0.00 WT1 O ATOM 11117 H1 TIP3 2894 44.162 8.420 8.040 1.00 0.00 WT1 H ATOM 11118 H2 TIP3 2894 45.202 9.520 8.037 1.00 0.00 WT1 H ATOM 11119 OH2 TIP3 2895 59.066 92.260 49.869 1.00 0.00 WT1 O ATOM 11120 H1 TIP3 2895 58.158 92.384 49.593 1.00 0.00 WT1 H ATOM 11121 H2 TIP3 2895 59.480 91.809 49.134 1.00 0.00 WT1 H ATOM 11122 OH2 TIP3 2896 62.527 54.468 35.332 1.00 0.00 WT1 O ATOM 11123 H1 TIP3 2896 62.726 53.878 34.605 1.00 0.00 WT1 H ATOM 11124 H2 TIP3 2896 61.702 54.885 35.085 1.00 0.00 WT1 H ATOM 11125 OH2 TIP3 2898 66.924 38.643 -4.470 1.00 0.00 WT1 O ATOM 11126 H1 TIP3 2898 67.856 38.846 -4.544 1.00 0.00 WT1 H ATOM 11127 H2 TIP3 2898 66.552 39.389 -4.000 1.00 0.00 WT1 H ATOM 11128 OH2 TIP3 2899 47.506 78.106 40.200 1.00 0.00 WT1 O ATOM 11129 H1 TIP3 2899 47.304 78.395 41.089 1.00 0.00 WT1 H ATOM 11130 H2 TIP3 2899 46.753 78.384 39.679 1.00 0.00 WT1 H ATOM 11131 OH2 TIP3 2900 52.362 7.947 -7.430 1.00 0.00 WT1 O ATOM 11132 H1 TIP3 2900 51.787 8.027 -8.190 1.00 0.00 WT1 H ATOM 11133 H2 TIP3 2900 51.777 7.717 -6.708 1.00 0.00 WT1 H ATOM 11134 OH2 TIP3 2901 71.758 66.519 56.911 1.00 0.00 WT1 O ATOM 11135 H1 TIP3 2901 71.294 66.986 56.217 1.00 0.00 WT1 H ATOM 11136 H2 TIP3 2901 71.784 67.139 57.641 1.00 0.00 WT1 H ATOM 11137 OH2 TIP3 2902 62.598 61.207 53.558 1.00 0.00 WT1 O ATOM 11138 H1 TIP3 2902 63.525 61.132 53.786 1.00 0.00 WT1 H ATOM 11139 H2 TIP3 2902 62.553 60.927 52.644 1.00 0.00 WT1 H ATOM 11140 OH2 TIP3 2903 70.199 26.177 12.844 1.00 0.00 WT1 O ATOM 11141 H1 TIP3 2903 70.540 27.067 12.927 1.00 0.00 WT1 H ATOM 11142 H2 TIP3 2903 70.974 25.635 12.695 1.00 0.00 WT1 H ATOM 11143 OH2 TIP3 2904 26.470 17.806 2.689 1.00 0.00 WT1 O ATOM 11144 H1 TIP3 2904 26.397 18.748 2.843 1.00 0.00 WT1 H ATOM 11145 H2 TIP3 2904 27.409 17.627 2.738 1.00 0.00 WT1 H ATOM 11146 OH2 TIP3 2905 49.064 60.252 -13.281 1.00 0.00 WT1 O ATOM 11147 H1 TIP3 2905 49.993 60.035 -13.201 1.00 0.00 WT1 H ATOM 11148 H2 TIP3 2905 49.022 61.194 -13.113 1.00 0.00 WT1 H ATOM 11149 OH2 TIP3 2906 76.847 37.855 47.789 1.00 0.00 WT1 O ATOM 11150 H1 TIP3 2906 76.880 37.319 48.581 1.00 0.00 WT1 H ATOM 11151 H2 TIP3 2906 77.458 37.430 47.186 1.00 0.00 WT1 H ATOM 11152 OH2 TIP3 2908 61.465 47.923 6.812 1.00 0.00 WT1 O ATOM 11153 H1 TIP3 2908 61.666 47.477 7.635 1.00 0.00 WT1 H ATOM 11154 H2 TIP3 2908 62.285 48.349 6.563 1.00 0.00 WT1 H ATOM 11155 OH2 TIP3 2909 45.708 47.095 59.500 1.00 0.00 WT1 O ATOM 11156 H1 TIP3 2909 44.753 47.120 59.432 1.00 0.00 WT1 H ATOM 11157 H2 TIP3 2909 46.013 47.693 58.817 1.00 0.00 WT1 H ATOM 11158 OH2 TIP3 2910 79.587 38.083 -11.094 1.00 0.00 WT1 O ATOM 11159 H1 TIP3 2910 79.146 37.530 -10.450 1.00 0.00 WT1 H ATOM 11160 H2 TIP3 2910 79.792 37.492 -11.818 1.00 0.00 WT1 H ATOM 11161 OH2 TIP3 2912 33.126 78.660 36.247 1.00 0.00 WT1 O ATOM 11162 H1 TIP3 2912 33.293 79.454 35.739 1.00 0.00 WT1 H ATOM 11163 H2 TIP3 2912 33.977 78.430 36.619 1.00 0.00 WT1 H ATOM 11164 OH2 TIP3 2913 29.646 19.772 -2.585 1.00 0.00 WT1 O ATOM 11165 H1 TIP3 2913 29.157 19.793 -1.763 1.00 0.00 WT1 H ATOM 11166 H2 TIP3 2913 29.935 18.863 -2.669 1.00 0.00 WT1 H ATOM 11167 OH2 TIP3 2914 50.498 18.566 50.609 1.00 0.00 WT1 O ATOM 11168 H1 TIP3 2914 49.951 19.306 50.343 1.00 0.00 WT1 H ATOM 11169 H2 TIP3 2914 49.966 18.092 51.248 1.00 0.00 WT1 H ATOM 11170 OH2 TIP3 2916 26.059 41.046 20.911 1.00 0.00 WT1 O ATOM 11171 H1 TIP3 2916 26.386 40.541 21.656 1.00 0.00 WT1 H ATOM 11172 H2 TIP3 2916 25.272 40.578 20.631 1.00 0.00 WT1 H ATOM 11173 OH2 TIP3 2917 47.516 40.414 41.863 1.00 0.00 WT1 O ATOM 11174 H1 TIP3 2917 47.292 39.588 42.292 1.00 0.00 WT1 H ATOM 11175 H2 TIP3 2917 46.693 40.902 41.836 1.00 0.00 WT1 H ATOM 11176 OH2 TIP3 2918 68.751 22.161 2.131 1.00 0.00 WT1 O ATOM 11177 H1 TIP3 2918 69.421 22.783 2.417 1.00 0.00 WT1 H ATOM 11178 H2 TIP3 2918 68.337 21.865 2.941 1.00 0.00 WT1 H ATOM 11179 OH2 TIP3 2919 49.179 40.057 32.107 1.00 0.00 WT1 O ATOM 11180 H1 TIP3 2919 49.322 40.223 31.175 1.00 0.00 WT1 H ATOM 11181 H2 TIP3 2919 49.032 39.113 32.163 1.00 0.00 WT1 H ATOM 11182 OH2 TIP3 2920 52.984 66.601 64.768 1.00 0.00 WT1 O ATOM 11183 H1 TIP3 2920 53.857 66.771 65.122 1.00 0.00 WT1 H ATOM 11184 H2 TIP3 2920 52.571 67.464 64.723 1.00 0.00 WT1 H ATOM 11185 OH2 TIP3 2921 31.828 24.731 32.588 1.00 0.00 WT1 O ATOM 11186 H1 TIP3 2921 32.562 24.861 31.987 1.00 0.00 WT1 H ATOM 11187 H2 TIP3 2921 31.070 25.083 32.121 1.00 0.00 WT1 H ATOM 11188 OH2 TIP3 2922 49.595 94.198 6.788 1.00 0.00 WT1 O ATOM 11189 H1 TIP3 2922 49.781 94.357 7.714 1.00 0.00 WT1 H ATOM 11190 H2 TIP3 2922 48.897 93.543 6.792 1.00 0.00 WT1 H ATOM 11191 OH2 TIP3 2923 63.610 34.368 63.394 1.00 0.00 WT1 O ATOM 11192 H1 TIP3 2923 63.193 34.442 64.252 1.00 0.00 WT1 H ATOM 11193 H2 TIP3 2923 63.913 35.254 63.197 1.00 0.00 WT1 H ATOM 11194 OH2 TIP3 2925 33.975 29.295 -7.533 1.00 0.00 WT1 O ATOM 11195 H1 TIP3 2925 34.417 28.845 -6.813 1.00 0.00 WT1 H ATOM 11196 H2 TIP3 2925 34.331 28.890 -8.323 1.00 0.00 WT1 H ATOM 11197 OH2 TIP3 2926 27.375 95.142 25.059 1.00 0.00 WT1 O ATOM 11198 H1 TIP3 2926 27.051 94.290 25.350 1.00 0.00 WT1 H ATOM 11199 H2 TIP3 2926 26.618 95.724 25.132 1.00 0.00 WT1 H ATOM 11200 OH2 TIP3 2927 67.422 96.465 16.286 1.00 0.00 WT1 O ATOM 11201 H1 TIP3 2927 67.260 95.669 15.781 1.00 0.00 WT1 H ATOM 11202 H2 TIP3 2927 68.156 96.887 15.839 1.00 0.00 WT1 H ATOM 11203 OH2 TIP3 2928 23.056 77.047 65.309 1.00 0.00 WT1 O ATOM 11204 H1 TIP3 2928 22.233 77.416 64.989 1.00 0.00 WT1 H ATOM 11205 H2 TIP3 2928 23.732 77.483 64.789 1.00 0.00 WT1 H ATOM 11206 OH2 TIP3 2930 59.556 32.201 -11.797 1.00 0.00 WT1 O ATOM 11207 H1 TIP3 2930 59.194 32.839 -12.412 1.00 0.00 WT1 H ATOM 11208 H2 TIP3 2930 58.953 32.216 -11.053 1.00 0.00 WT1 H ATOM 11209 OH2 TIP3 2931 66.721 68.336 25.605 1.00 0.00 WT1 O ATOM 11210 H1 TIP3 2931 67.226 67.949 24.889 1.00 0.00 WT1 H ATOM 11211 H2 TIP3 2931 66.050 68.860 25.170 1.00 0.00 WT1 H ATOM 11212 OH2 TIP3 2932 86.048 46.381 2.343 1.00 0.00 WT1 O ATOM 11213 H1 TIP3 2932 86.008 45.553 2.822 1.00 0.00 WT1 H ATOM 11214 H2 TIP3 2932 86.099 47.051 3.025 1.00 0.00 WT1 H ATOM 11215 OH2 TIP3 2936 79.036 58.319 39.818 1.00 0.00 WT1 O ATOM 11216 H1 TIP3 2936 79.133 59.243 40.047 1.00 0.00 WT1 H ATOM 11217 H2 TIP3 2936 78.311 58.302 39.193 1.00 0.00 WT1 H ATOM 11218 OH2 TIP3 2937 35.369 51.790 24.365 1.00 0.00 WT1 O ATOM 11219 H1 TIP3 2937 36.064 51.385 24.883 1.00 0.00 WT1 H ATOM 11220 H2 TIP3 2937 34.801 51.062 24.114 1.00 0.00 WT1 H ATOM 11221 OH2 TIP3 2938 77.153 24.579 53.092 1.00 0.00 WT1 O ATOM 11222 H1 TIP3 2938 76.486 23.902 52.985 1.00 0.00 WT1 H ATOM 11223 H2 TIP3 2938 76.999 25.184 52.366 1.00 0.00 WT1 H ATOM 11224 OH2 TIP3 2939 23.068 54.603 27.135 1.00 0.00 WT1 O ATOM 11225 H1 TIP3 2939 23.173 54.890 26.228 1.00 0.00 WT1 H ATOM 11226 H2 TIP3 2939 23.840 54.065 27.307 1.00 0.00 WT1 H ATOM 11227 OH2 TIP3 2941 48.919 1.869 29.401 1.00 0.00 WT1 O ATOM 11228 H1 TIP3 2941 48.107 1.436 29.137 1.00 0.00 WT1 H ATOM 11229 H2 TIP3 2941 48.639 2.719 29.741 1.00 0.00 WT1 H ATOM 11230 OH2 TIP3 2943 87.736 52.161 -11.236 1.00 0.00 WT1 O ATOM 11231 H1 TIP3 2943 87.349 51.356 -11.582 1.00 0.00 WT1 H ATOM 11232 H2 TIP3 2943 87.247 52.865 -11.662 1.00 0.00 WT1 H ATOM 11233 OH2 TIP3 2944 68.809 13.667 51.315 1.00 0.00 WT1 O ATOM 11234 H1 TIP3 2944 68.551 12.906 50.795 1.00 0.00 WT1 H ATOM 11235 H2 TIP3 2944 68.765 14.402 50.703 1.00 0.00 WT1 H ATOM 11236 OH2 TIP3 2945 72.063 53.298 -0.250 1.00 0.00 WT1 O ATOM 11237 H1 TIP3 2945 71.141 53.126 -0.442 1.00 0.00 WT1 H ATOM 11238 H2 TIP3 2945 72.294 52.652 0.417 1.00 0.00 WT1 H ATOM 11239 OH2 TIP3 2946 37.154 15.552 -15.354 1.00 0.00 WT1 O ATOM 11240 H1 TIP3 2946 36.741 15.995 -14.613 1.00 0.00 WT1 H ATOM 11241 H2 TIP3 2946 37.366 14.679 -15.024 1.00 0.00 WT1 H ATOM 11242 OH2 TIP3 2947 54.798 20.898 21.102 1.00 0.00 WT1 O ATOM 11243 H1 TIP3 2947 55.196 21.116 20.259 1.00 0.00 WT1 H ATOM 11244 H2 TIP3 2947 53.934 21.309 21.074 1.00 0.00 WT1 H ATOM 11245 OH2 TIP3 2950 72.037 64.507 37.460 1.00 0.00 WT1 O ATOM 11246 H1 TIP3 2950 71.541 63.879 37.985 1.00 0.00 WT1 H ATOM 11247 H2 TIP3 2950 71.383 64.918 36.895 1.00 0.00 WT1 H ATOM 11248 OH2 TIP3 2951 54.225 12.125 66.364 1.00 0.00 WT1 O ATOM 11249 H1 TIP3 2951 54.392 12.570 65.533 1.00 0.00 WT1 H ATOM 11250 H2 TIP3 2951 54.084 11.210 66.123 1.00 0.00 WT1 H ATOM 11251 OH2 TIP3 2952 43.914 92.186 -16.120 1.00 0.00 WT1 O ATOM 11252 H1 TIP3 2952 44.519 91.488 -16.373 1.00 0.00 WT1 H ATOM 11253 H2 TIP3 2952 43.081 91.738 -15.969 1.00 0.00 WT1 H ATOM 11254 OH2 TIP3 2956 45.093 19.319 0.899 1.00 0.00 WT1 O ATOM 11255 H1 TIP3 2956 45.978 19.577 1.156 1.00 0.00 WT1 H ATOM 11256 H2 TIP3 2956 44.529 20.007 1.255 1.00 0.00 WT1 H ATOM 11257 OH2 TIP3 2957 26.171 8.531 54.499 1.00 0.00 WT1 O ATOM 11258 H1 TIP3 2957 26.876 9.170 54.395 1.00 0.00 WT1 H ATOM 11259 H2 TIP3 2957 25.861 8.660 55.396 1.00 0.00 WT1 H ATOM 11260 OH2 TIP3 2959 53.086 60.419 -16.444 1.00 0.00 WT1 O ATOM 11261 H1 TIP3 2959 53.882 59.910 -16.295 1.00 0.00 WT1 H ATOM 11262 H2 TIP3 2959 53.105 61.097 -15.768 1.00 0.00 WT1 H ATOM 11263 OH2 TIP3 2960 39.127 41.523 65.324 1.00 0.00 WT1 O ATOM 11264 H1 TIP3 2960 38.651 40.704 65.463 1.00 0.00 WT1 H ATOM 11265 H2 TIP3 2960 39.208 41.595 64.373 1.00 0.00 WT1 H ATOM 11266 OH2 TIP3 2961 87.624 21.038 42.010 1.00 0.00 WT1 O ATOM 11267 H1 TIP3 2961 87.871 21.913 42.308 1.00 0.00 WT1 H ATOM 11268 H2 TIP3 2961 87.561 21.117 41.058 1.00 0.00 WT1 H ATOM 11269 OH2 TIP3 2962 42.512 95.295 38.744 1.00 0.00 WT1 O ATOM 11270 H1 TIP3 2962 41.669 94.936 38.469 1.00 0.00 WT1 H ATOM 11271 H2 TIP3 2962 43.086 94.533 38.816 1.00 0.00 WT1 H ATOM 11272 OH2 TIP3 2963 54.120 30.915 49.569 1.00 0.00 WT1 O ATOM 11273 H1 TIP3 2963 54.526 30.843 48.705 1.00 0.00 WT1 H ATOM 11274 H2 TIP3 2963 54.547 31.670 49.974 1.00 0.00 WT1 H ATOM 11275 OH2 TIP3 2964 23.454 55.595 -15.572 1.00 0.00 WT1 O ATOM 11276 H1 TIP3 2964 23.049 55.285 -14.761 1.00 0.00 WT1 H ATOM 11277 H2 TIP3 2964 22.730 55.645 -16.196 1.00 0.00 WT1 H ATOM 11278 OH2 TIP3 2965 82.896 31.652 66.650 1.00 0.00 WT1 O ATOM 11279 H1 TIP3 2965 83.770 31.732 67.031 1.00 0.00 WT1 H ATOM 11280 H2 TIP3 2965 82.938 32.164 65.843 1.00 0.00 WT1 H ATOM 11281 OH2 TIP3 2966 77.260 72.058 -7.290 1.00 0.00 WT1 O ATOM 11282 H1 TIP3 2966 77.326 72.981 -7.048 1.00 0.00 WT1 H ATOM 11283 H2 TIP3 2966 76.323 71.909 -7.414 1.00 0.00 WT1 H ATOM 11284 OH2 TIP3 2967 75.517 36.449 52.199 1.00 0.00 WT1 O ATOM 11285 H1 TIP3 2967 75.576 35.566 52.565 1.00 0.00 WT1 H ATOM 11286 H2 TIP3 2967 76.054 36.416 51.407 1.00 0.00 WT1 H ATOM 11287 OH2 TIP3 2968 78.706 66.335 10.408 1.00 0.00 WT1 O ATOM 11288 H1 TIP3 2968 77.845 65.953 10.575 1.00 0.00 WT1 H ATOM 11289 H2 TIP3 2968 79.242 65.599 10.114 1.00 0.00 WT1 H ATOM 11290 OH2 TIP3 2969 31.058 61.581 33.102 1.00 0.00 WT1 O ATOM 11291 H1 TIP3 2969 31.325 61.916 33.958 1.00 0.00 WT1 H ATOM 11292 H2 TIP3 2969 31.805 61.762 32.531 1.00 0.00 WT1 H ATOM 11293 OH2 TIP3 2971 25.163 23.370 50.232 1.00 0.00 WT1 O ATOM 11294 H1 TIP3 2971 24.511 23.751 50.820 1.00 0.00 WT1 H ATOM 11295 H2 TIP3 2971 25.973 23.367 50.742 1.00 0.00 WT1 H ATOM 11296 OH2 TIP3 2972 23.629 47.110 -17.994 1.00 0.00 WT1 O ATOM 11297 H1 TIP3 2972 23.630 46.938 -17.052 1.00 0.00 WT1 H ATOM 11298 H2 TIP3 2972 24.521 46.906 -18.276 1.00 0.00 WT1 H ATOM 11299 OH2 TIP3 2978 89.359 67.047 12.370 1.00 0.00 WT1 O ATOM 11300 H1 TIP3 2978 90.010 67.574 11.908 1.00 0.00 WT1 H ATOM 11301 H2 TIP3 2978 88.595 67.049 11.793 1.00 0.00 WT1 H ATOM 11302 OH2 TIP3 2979 26.596 13.900 57.801 1.00 0.00 WT1 O ATOM 11303 H1 TIP3 2979 26.703 13.120 57.257 1.00 0.00 WT1 H ATOM 11304 H2 TIP3 2979 27.414 14.385 57.691 1.00 0.00 WT1 H ATOM 11305 OH2 TIP3 2981 78.897 7.760 59.218 1.00 0.00 WT1 O ATOM 11306 H1 TIP3 2981 78.550 8.549 58.801 1.00 0.00 WT1 H ATOM 11307 H2 TIP3 2981 78.795 7.919 60.156 1.00 0.00 WT1 H ATOM 11308 OH2 TIP3 2982 40.756 23.130 6.031 1.00 0.00 WT1 O ATOM 11309 H1 TIP3 2982 41.419 23.034 6.714 1.00 0.00 WT1 H ATOM 11310 H2 TIP3 2982 40.603 24.073 5.975 1.00 0.00 WT1 H ATOM 11311 OH2 TIP3 2983 46.877 18.032 65.320 1.00 0.00 WT1 O ATOM 11312 H1 TIP3 2983 47.369 17.903 64.509 1.00 0.00 WT1 H ATOM 11313 H2 TIP3 2983 47.498 18.455 65.913 1.00 0.00 WT1 H ATOM 11314 OH2 TIP3 2984 63.982 69.717 -10.775 1.00 0.00 WT1 O ATOM 11315 H1 TIP3 2984 64.818 70.180 -10.708 1.00 0.00 WT1 H ATOM 11316 H2 TIP3 2984 64.175 68.831 -10.470 1.00 0.00 WT1 H ATOM 11317 OH2 TIP3 2985 41.445 34.710 38.413 1.00 0.00 WT1 O ATOM 11318 H1 TIP3 2985 42.079 34.153 37.962 1.00 0.00 WT1 H ATOM 11319 H2 TIP3 2985 41.424 35.517 37.898 1.00 0.00 WT1 H ATOM 11320 OH2 TIP3 2986 87.957 23.074 7.496 1.00 0.00 WT1 O ATOM 11321 H1 TIP3 2986 87.105 23.387 7.802 1.00 0.00 WT1 H ATOM 11322 H2 TIP3 2986 87.817 22.863 6.573 1.00 0.00 WT1 H ATOM 11323 OH2 TIP3 2987 35.844 46.527 -11.525 1.00 0.00 WT1 O ATOM 11324 H1 TIP3 2987 35.687 46.067 -10.700 1.00 0.00 WT1 H ATOM 11325 H2 TIP3 2987 35.488 47.403 -11.382 1.00 0.00 WT1 H ATOM 11326 OH2 TIP3 2988 83.609 51.386 8.392 1.00 0.00 WT1 O ATOM 11327 H1 TIP3 2988 82.829 51.821 8.735 1.00 0.00 WT1 H ATOM 11328 H2 TIP3 2988 84.328 51.730 8.922 1.00 0.00 WT1 H ATOM 11329 OH2 TIP3 2989 77.061 65.053 -5.634 1.00 0.00 WT1 O ATOM 11330 H1 TIP3 2989 76.871 64.705 -4.763 1.00 0.00 WT1 H ATOM 11331 H2 TIP3 2989 76.485 65.813 -5.720 1.00 0.00 WT1 H ATOM 11332 OH2 TIP3 2990 53.939 69.080 13.300 1.00 0.00 WT1 O ATOM 11333 H1 TIP3 2990 53.922 68.456 14.026 1.00 0.00 WT1 H ATOM 11334 H2 TIP3 2990 54.361 69.859 13.664 1.00 0.00 WT1 H ATOM 11335 OH2 TIP3 2991 20.996 14.242 -4.346 1.00 0.00 WT1 O ATOM 11336 H1 TIP3 2991 21.915 14.331 -4.093 1.00 0.00 WT1 H ATOM 11337 H2 TIP3 2991 20.767 13.344 -4.108 1.00 0.00 WT1 H ATOM 11338 OH2 TIP3 2992 24.260 63.673 40.878 1.00 0.00 WT1 O ATOM 11339 H1 TIP3 2992 24.391 62.985 41.530 1.00 0.00 WT1 H ATOM 11340 H2 TIP3 2992 24.767 63.385 40.119 1.00 0.00 WT1 H ATOM 11341 OH2 TIP3 2993 39.085 29.926 -7.154 1.00 0.00 WT1 O ATOM 11342 H1 TIP3 2993 38.540 30.638 -6.819 1.00 0.00 WT1 H ATOM 11343 H2 TIP3 2993 38.506 29.436 -7.739 1.00 0.00 WT1 H ATOM 11344 OH2 TIP3 2998 55.529 70.655 44.017 1.00 0.00 WT1 O ATOM 11345 H1 TIP3 2998 54.736 70.120 44.024 1.00 0.00 WT1 H ATOM 11346 H2 TIP3 2998 56.067 70.279 43.321 1.00 0.00 WT1 H ATOM 11347 OH2 TIP3 3000 79.505 59.333 34.365 1.00 0.00 WT1 O ATOM 11348 H1 TIP3 3000 79.276 59.891 35.109 1.00 0.00 WT1 H ATOM 11349 H2 TIP3 3000 80.447 59.188 34.456 1.00 0.00 WT1 H ATOM 11350 OH2 TIP3 3001 35.445 34.808 39.261 1.00 0.00 WT1 O ATOM 11351 H1 TIP3 3001 35.714 35.273 38.469 1.00 0.00 WT1 H ATOM 11352 H2 TIP3 3001 34.590 34.438 39.044 1.00 0.00 WT1 H ATOM 11353 OH2 TIP3 3002 78.289 73.177 -16.132 1.00 0.00 WT1 O ATOM 11354 H1 TIP3 3002 78.636 72.316 -15.901 1.00 0.00 WT1 H ATOM 11355 H2 TIP3 3002 79.025 73.632 -16.541 1.00 0.00 WT1 H ATOM 11356 OH2 TIP3 3003 27.334 28.307 65.056 1.00 0.00 WT1 O ATOM 11357 H1 TIP3 3003 27.519 29.181 65.400 1.00 0.00 WT1 H ATOM 11358 H2 TIP3 3003 26.567 28.427 64.496 1.00 0.00 WT1 H ATOM 11359 OH2 TIP3 3004 47.092 36.879 22.480 1.00 0.00 WT1 O ATOM 11360 H1 TIP3 3004 47.576 37.661 22.215 1.00 0.00 WT1 H ATOM 11361 H2 TIP3 3004 47.738 36.342 22.939 1.00 0.00 WT1 H ATOM 11362 OH2 TIP3 3005 67.414 17.714 -16.346 1.00 0.00 WT1 O ATOM 11363 H1 TIP3 3005 67.369 17.748 -15.391 1.00 0.00 WT1 H ATOM 11364 H2 TIP3 3005 67.979 16.964 -16.533 1.00 0.00 WT1 H ATOM 11365 OH2 TIP3 3006 31.055 52.835 56.961 1.00 0.00 WT1 O ATOM 11366 H1 TIP3 3006 30.213 52.689 57.393 1.00 0.00 WT1 H ATOM 11367 H2 TIP3 3006 31.377 53.655 57.336 1.00 0.00 WT1 H ATOM 11368 OH2 TIP3 3007 86.105 55.019 6.816 1.00 0.00 WT1 O ATOM 11369 H1 TIP3 3007 86.869 54.730 7.315 1.00 0.00 WT1 H ATOM 11370 H2 TIP3 3007 86.432 55.141 5.925 1.00 0.00 WT1 H ATOM 11371 OH2 TIP3 3008 58.231 61.636 23.240 1.00 0.00 WT1 O ATOM 11372 H1 TIP3 3008 58.186 62.040 22.374 1.00 0.00 WT1 H ATOM 11373 H2 TIP3 3008 57.460 61.070 23.282 1.00 0.00 WT1 H ATOM 11374 OH2 TIP3 3009 78.353 0.943 45.593 1.00 0.00 WT1 O ATOM 11375 H1 TIP3 3009 78.185 1.341 44.738 1.00 0.00 WT1 H ATOM 11376 H2 TIP3 3009 78.656 1.668 46.139 1.00 0.00 WT1 H ATOM 11377 OH2 TIP3 3010 71.794 17.280 64.723 1.00 0.00 WT1 O ATOM 11378 H1 TIP3 3010 71.352 17.170 65.565 1.00 0.00 WT1 H ATOM 11379 H2 TIP3 3010 71.159 16.974 64.076 1.00 0.00 WT1 H ATOM 11380 OH2 TIP3 3011 84.328 78.652 51.633 1.00 0.00 WT1 O ATOM 11381 H1 TIP3 3011 85.112 79.184 51.490 1.00 0.00 WT1 H ATOM 11382 H2 TIP3 3011 83.798 78.791 50.848 1.00 0.00 WT1 H ATOM 11383 OH2 TIP3 3012 31.565 8.903 12.202 1.00 0.00 WT1 O ATOM 11384 H1 TIP3 3012 31.220 9.565 11.603 1.00 0.00 WT1 H ATOM 11385 H2 TIP3 3012 31.785 9.389 12.997 1.00 0.00 WT1 H ATOM 11386 OH2 TIP3 3013 65.811 32.027 -6.534 1.00 0.00 WT1 O ATOM 11387 H1 TIP3 3013 66.089 31.111 -6.571 1.00 0.00 WT1 H ATOM 11388 H2 TIP3 3013 66.291 32.393 -5.791 1.00 0.00 WT1 H ATOM 11389 OH2 TIP3 3014 52.317 29.213 11.336 1.00 0.00 WT1 O ATOM 11390 H1 TIP3 3014 52.461 28.377 10.893 1.00 0.00 WT1 H ATOM 11391 H2 TIP3 3014 51.889 29.763 10.679 1.00 0.00 WT1 H ATOM 11392 OH2 TIP3 3015 46.124 40.882 23.833 1.00 0.00 WT1 O ATOM 11393 H1 TIP3 3015 46.211 41.627 23.238 1.00 0.00 WT1 H ATOM 11394 H2 TIP3 3015 46.815 41.011 24.482 1.00 0.00 WT1 H ATOM 11395 OH2 TIP3 3016 79.563 28.595 6.399 1.00 0.00 WT1 O ATOM 11396 H1 TIP3 3016 80.407 28.332 6.032 1.00 0.00 WT1 H ATOM 11397 H2 TIP3 3016 79.545 29.547 6.301 1.00 0.00 WT1 H ATOM 11398 OH2 TIP3 3018 76.454 69.419 57.672 1.00 0.00 WT1 O ATOM 11399 H1 TIP3 3018 76.587 68.822 56.936 1.00 0.00 WT1 H ATOM 11400 H2 TIP3 3018 75.583 69.201 58.004 1.00 0.00 WT1 H ATOM 11401 OH2 TIP3 3019 80.977 35.532 -1.774 1.00 0.00 WT1 O ATOM 11402 H1 TIP3 3019 80.486 36.314 -1.520 1.00 0.00 WT1 H ATOM 11403 H2 TIP3 3019 81.592 35.391 -1.054 1.00 0.00 WT1 H ATOM 11404 OH2 TIP3 3021 76.759 36.402 10.167 1.00 0.00 WT1 O ATOM 11405 H1 TIP3 3021 75.883 36.784 10.119 1.00 0.00 WT1 H ATOM 11406 H2 TIP3 3021 77.347 37.155 10.226 1.00 0.00 WT1 H ATOM 11407 OH2 TIP3 3023 51.543 26.537 -10.944 1.00 0.00 WT1 O ATOM 11408 H1 TIP3 3023 52.384 26.262 -10.579 1.00 0.00 WT1 H ATOM 11409 H2 TIP3 3023 51.022 25.735 -10.977 1.00 0.00 WT1 H ATOM 11410 OH2 TIP3 3024 50.749 50.321 54.923 1.00 0.00 WT1 O ATOM 11411 H1 TIP3 3024 51.025 51.074 55.446 1.00 0.00 WT1 H ATOM 11412 H2 TIP3 3024 50.940 50.573 54.020 1.00 0.00 WT1 H ATOM 11413 OH2 TIP3 3025 80.668 90.245 43.373 1.00 0.00 WT1 O ATOM 11414 H1 TIP3 3025 79.931 90.503 43.927 1.00 0.00 WT1 H ATOM 11415 H2 TIP3 3025 80.297 89.606 42.763 1.00 0.00 WT1 H ATOM 11416 OH2 TIP3 3027 22.684 25.268 -16.711 1.00 0.00 WT1 O ATOM 11417 H1 TIP3 3027 23.554 24.980 -16.432 1.00 0.00 WT1 H ATOM 11418 H2 TIP3 3027 22.849 25.822 -17.474 1.00 0.00 WT1 H ATOM 11419 OH2 TIP3 3028 38.668 46.265 -7.398 1.00 0.00 WT1 O ATOM 11420 H1 TIP3 3028 38.657 46.513 -8.322 1.00 0.00 WT1 H ATOM 11421 H2 TIP3 3028 39.238 45.497 -7.362 1.00 0.00 WT1 H ATOM 11422 OH2 TIP3 3029 23.256 30.377 11.465 1.00 0.00 WT1 O ATOM 11423 H1 TIP3 3029 23.779 31.106 11.800 1.00 0.00 WT1 H ATOM 11424 H2 TIP3 3029 23.502 29.633 12.015 1.00 0.00 WT1 H ATOM 11425 OH2 TIP3 3030 27.233 26.670 1.039 1.00 0.00 WT1 O ATOM 11426 H1 TIP3 3030 27.862 27.222 0.575 1.00 0.00 WT1 H ATOM 11427 H2 TIP3 3030 26.522 26.537 0.412 1.00 0.00 WT1 H ATOM 11428 OH2 TIP3 3032 55.845 58.198 21.770 1.00 0.00 WT1 O ATOM 11429 H1 TIP3 3032 55.050 58.709 21.616 1.00 0.00 WT1 H ATOM 11430 H2 TIP3 3032 56.347 58.286 20.960 1.00 0.00 WT1 H ATOM 11431 OH2 TIP3 3033 28.348 53.823 8.427 1.00 0.00 WT1 O ATOM 11432 H1 TIP3 3033 28.025 54.647 8.061 1.00 0.00 WT1 H ATOM 11433 H2 TIP3 3033 28.530 54.024 9.345 1.00 0.00 WT1 H ATOM 11434 OH2 TIP3 3035 83.338 19.858 -7.455 1.00 0.00 WT1 O ATOM 11435 H1 TIP3 3035 82.478 19.674 -7.832 1.00 0.00 WT1 H ATOM 11436 H2 TIP3 3035 83.875 20.128 -8.200 1.00 0.00 WT1 H ATOM 11437 OH2 TIP3 3037 22.339 22.519 7.895 1.00 0.00 WT1 O ATOM 11438 H1 TIP3 3037 22.885 22.454 8.678 1.00 0.00 WT1 H ATOM 11439 H2 TIP3 3037 22.452 21.678 7.452 1.00 0.00 WT1 H ATOM 11440 OH2 TIP3 3038 77.668 94.781 11.623 1.00 0.00 WT1 O ATOM 11441 H1 TIP3 3038 77.870 94.569 10.711 1.00 0.00 WT1 H ATOM 11442 H2 TIP3 3038 77.508 93.933 12.037 1.00 0.00 WT1 H ATOM 11443 OH2 TIP3 3039 77.013 51.542 64.608 1.00 0.00 WT1 O ATOM 11444 H1 TIP3 3039 76.680 52.150 63.949 1.00 0.00 WT1 H ATOM 11445 H2 TIP3 3039 76.640 51.853 65.433 1.00 0.00 WT1 H ATOM 11446 OH2 TIP3 3040 43.963 54.166 20.798 1.00 0.00 WT1 O ATOM 11447 H1 TIP3 3040 43.891 54.739 20.035 1.00 0.00 WT1 H ATOM 11448 H2 TIP3 3040 43.395 54.568 21.455 1.00 0.00 WT1 H ATOM 11449 OH2 TIP3 3041 41.147 41.247 39.522 1.00 0.00 WT1 O ATOM 11450 H1 TIP3 3041 40.928 40.504 38.960 1.00 0.00 WT1 H ATOM 11451 H2 TIP3 3041 41.376 41.949 38.913 1.00 0.00 WT1 H ATOM 11452 OH2 TIP3 3042 85.867 19.747 50.554 1.00 0.00 WT1 O ATOM 11453 H1 TIP3 3042 85.086 20.007 50.065 1.00 0.00 WT1 H ATOM 11454 H2 TIP3 3042 85.794 18.796 50.634 1.00 0.00 WT1 H ATOM 11455 OH2 TIP3 3043 64.788 31.583 42.398 1.00 0.00 WT1 O ATOM 11456 H1 TIP3 3043 63.971 31.974 42.705 1.00 0.00 WT1 H ATOM 11457 H2 TIP3 3043 65.353 32.330 42.201 1.00 0.00 WT1 H ATOM 11458 OH2 TIP3 3044 48.078 77.477 9.200 1.00 0.00 WT1 O ATOM 11459 H1 TIP3 3044 48.759 76.843 8.973 1.00 0.00 WT1 H ATOM 11460 H2 TIP3 3044 47.519 77.015 9.824 1.00 0.00 WT1 H ATOM 11461 OH2 TIP3 3045 33.526 54.076 57.881 1.00 0.00 WT1 O ATOM 11462 H1 TIP3 3045 34.055 53.823 57.124 1.00 0.00 WT1 H ATOM 11463 H2 TIP3 3045 33.573 55.031 57.898 1.00 0.00 WT1 H ATOM 11464 OH2 TIP3 3046 43.246 17.316 1.220 1.00 0.00 WT1 O ATOM 11465 H1 TIP3 3046 43.178 16.802 0.416 1.00 0.00 WT1 H ATOM 11466 H2 TIP3 3046 43.856 18.021 1.003 1.00 0.00 WT1 H ATOM 11467 OH2 TIP3 3047 37.151 79.675 -8.862 1.00 0.00 WT1 O ATOM 11468 H1 TIP3 3047 37.781 79.278 -8.260 1.00 0.00 WT1 H ATOM 11469 H2 TIP3 3047 36.304 79.320 -8.591 1.00 0.00 WT1 H ATOM 11470 OH2 TIP3 3048 37.898 5.524 -19.207 1.00 0.00 WT1 O ATOM 11471 H1 TIP3 3048 38.621 5.197 -18.672 1.00 0.00 WT1 H ATOM 11472 H2 TIP3 3048 37.264 5.860 -18.574 1.00 0.00 WT1 H ATOM 11473 OH2 TIP3 3049 29.989 14.493 49.040 1.00 0.00 WT1 O ATOM 11474 H1 TIP3 3049 30.941 14.536 48.957 1.00 0.00 WT1 H ATOM 11475 H2 TIP3 3049 29.761 15.248 49.583 1.00 0.00 WT1 H ATOM 11476 OH2 TIP3 3050 55.621 58.272 -17.312 1.00 0.00 WT1 O ATOM 11477 H1 TIP3 3050 55.132 58.279 -18.135 1.00 0.00 WT1 H ATOM 11478 H2 TIP3 3050 56.466 57.883 -17.538 1.00 0.00 WT1 H ATOM 11479 OH2 TIP3 3051 21.253 67.072 62.089 1.00 0.00 WT1 O ATOM 11480 H1 TIP3 3051 21.849 66.374 61.816 1.00 0.00 WT1 H ATOM 11481 H2 TIP3 3051 20.388 66.771 61.811 1.00 0.00 WT1 H ATOM 11482 OH2 TIP3 3052 35.123 39.596 4.124 1.00 0.00 WT1 O ATOM 11483 H1 TIP3 3052 34.595 39.890 3.382 1.00 0.00 WT1 H ATOM 11484 H2 TIP3 3052 35.082 40.320 4.749 1.00 0.00 WT1 H ATOM 11485 OH2 TIP3 3053 81.329 45.268 -6.232 1.00 0.00 WT1 O ATOM 11486 H1 TIP3 3053 80.601 44.890 -6.726 1.00 0.00 WT1 H ATOM 11487 H2 TIP3 3053 81.613 46.016 -6.758 1.00 0.00 WT1 H ATOM 11488 OH2 TIP3 3054 29.258 66.771 10.802 1.00 0.00 WT1 O ATOM 11489 H1 TIP3 3054 30.054 66.513 10.339 1.00 0.00 WT1 H ATOM 11490 H2 TIP3 3054 29.208 67.720 10.684 1.00 0.00 WT1 H ATOM 11491 OH2 TIP3 3056 44.266 52.808 23.210 1.00 0.00 WT1 O ATOM 11492 H1 TIP3 3056 43.690 53.211 23.860 1.00 0.00 WT1 H ATOM 11493 H2 TIP3 3056 45.082 52.641 23.682 1.00 0.00 WT1 H ATOM 11494 OH2 TIP3 3057 72.050 13.137 64.502 1.00 0.00 WT1 O ATOM 11495 H1 TIP3 3057 72.928 13.297 64.848 1.00 0.00 WT1 H ATOM 11496 H2 TIP3 3057 71.508 12.995 65.279 1.00 0.00 WT1 H ATOM 11497 OH2 TIP3 3059 70.421 88.304 47.504 1.00 0.00 WT1 O ATOM 11498 H1 TIP3 3059 69.746 88.863 47.889 1.00 0.00 WT1 H ATOM 11499 H2 TIP3 3059 70.809 87.847 48.250 1.00 0.00 WT1 H ATOM 11500 OH2 TIP3 3062 81.559 86.256 34.800 1.00 0.00 WT1 O ATOM 11501 H1 TIP3 3062 81.118 86.698 35.526 1.00 0.00 WT1 H ATOM 11502 H2 TIP3 3062 81.182 85.376 34.791 1.00 0.00 WT1 H ATOM 11503 OH2 TIP3 3063 84.490 38.007 -2.195 1.00 0.00 WT1 O ATOM 11504 H1 TIP3 3063 84.144 37.275 -1.684 1.00 0.00 WT1 H ATOM 11505 H2 TIP3 3063 85.434 37.981 -2.043 1.00 0.00 WT1 H ATOM 11506 OH2 TIP3 3065 50.481 15.051 3.332 1.00 0.00 WT1 O ATOM 11507 H1 TIP3 3065 51.362 15.222 3.664 1.00 0.00 WT1 H ATOM 11508 H2 TIP3 3065 50.114 15.919 3.164 1.00 0.00 WT1 H ATOM 11509 OH2 TIP3 3066 22.278 50.069 27.380 1.00 0.00 WT1 O ATOM 11510 H1 TIP3 3066 22.277 50.070 26.422 1.00 0.00 WT1 H ATOM 11511 H2 TIP3 3066 21.933 50.928 27.621 1.00 0.00 WT1 H ATOM 11512 OH2 TIP3 3067 50.924 38.643 9.717 1.00 0.00 WT1 O ATOM 11513 H1 TIP3 3067 50.497 38.849 10.548 1.00 0.00 WT1 H ATOM 11514 H2 TIP3 3067 51.104 37.705 9.765 1.00 0.00 WT1 H ATOM 11515 OH2 TIP3 3069 34.313 44.898 45.818 1.00 0.00 WT1 O ATOM 11516 H1 TIP3 3069 34.393 44.439 46.654 1.00 0.00 WT1 H ATOM 11517 H2 TIP3 3069 34.596 45.793 46.008 1.00 0.00 WT1 H ATOM 11518 OH2 TIP3 3070 64.493 19.282 36.682 1.00 0.00 WT1 O ATOM 11519 H1 TIP3 3070 65.253 19.236 36.101 1.00 0.00 WT1 H ATOM 11520 H2 TIP3 3070 64.725 19.947 37.330 1.00 0.00 WT1 H ATOM 11521 OH2 TIP3 3071 21.020 12.380 63.541 1.00 0.00 WT1 O ATOM 11522 H1 TIP3 3071 21.179 11.562 63.071 1.00 0.00 WT1 H ATOM 11523 H2 TIP3 3071 21.577 12.323 64.317 1.00 0.00 WT1 H ATOM 11524 OH2 TIP3 3072 42.496 70.121 14.168 1.00 0.00 WT1 O ATOM 11525 H1 TIP3 3072 43.296 69.611 14.042 1.00 0.00 WT1 H ATOM 11526 H2 TIP3 3072 42.123 69.785 14.984 1.00 0.00 WT1 H ATOM 11527 OH2 TIP3 3073 70.306 80.621 -16.571 1.00 0.00 WT1 O ATOM 11528 H1 TIP3 3073 71.084 81.165 -16.694 1.00 0.00 WT1 H ATOM 11529 H2 TIP3 3073 69.904 80.577 -17.438 1.00 0.00 WT1 H ATOM 11530 OH2 TIP3 3074 68.075 61.631 18.556 1.00 0.00 WT1 O ATOM 11531 H1 TIP3 3074 68.537 62.003 19.308 1.00 0.00 WT1 H ATOM 11532 H2 TIP3 3074 67.203 61.420 18.890 1.00 0.00 WT1 H ATOM 11533 OH2 TIP3 3075 68.621 9.890 -4.028 1.00 0.00 WT1 O ATOM 11534 H1 TIP3 3075 68.335 9.069 -3.628 1.00 0.00 WT1 H ATOM 11535 H2 TIP3 3075 69.284 10.231 -3.428 1.00 0.00 WT1 H ATOM 11536 OH2 TIP3 3077 69.947 67.444 20.133 1.00 0.00 WT1 O ATOM 11537 H1 TIP3 3077 69.103 67.137 19.802 1.00 0.00 WT1 H ATOM 11538 H2 TIP3 3077 70.186 66.808 20.807 1.00 0.00 WT1 H ATOM 11539 OH2 TIP3 3079 58.755 74.867 26.367 1.00 0.00 WT1 O ATOM 11540 H1 TIP3 3079 58.955 74.276 25.641 1.00 0.00 WT1 H ATOM 11541 H2 TIP3 3079 57.800 74.850 26.435 1.00 0.00 WT1 H ATOM 11542 OH2 TIP3 3080 29.709 17.143 43.649 1.00 0.00 WT1 O ATOM 11543 H1 TIP3 3080 28.859 17.562 43.785 1.00 0.00 WT1 H ATOM 11544 H2 TIP3 3080 30.316 17.871 43.513 1.00 0.00 WT1 H ATOM 11545 OH2 TIP3 3081 53.560 88.495 23.041 1.00 0.00 WT1 O ATOM 11546 H1 TIP3 3081 52.677 88.702 22.735 1.00 0.00 WT1 H ATOM 11547 H2 TIP3 3081 53.731 87.616 22.705 1.00 0.00 WT1 H ATOM 11548 OH2 TIP3 3082 55.372 22.239 18.317 1.00 0.00 WT1 O ATOM 11549 H1 TIP3 3082 54.623 22.362 17.734 1.00 0.00 WT1 H ATOM 11550 H2 TIP3 3082 55.339 22.988 18.912 1.00 0.00 WT1 H ATOM 11551 OH2 TIP3 3083 47.794 52.468 37.847 1.00 0.00 WT1 O ATOM 11552 H1 TIP3 3083 48.357 51.910 37.310 1.00 0.00 WT1 H ATOM 11553 H2 TIP3 3083 48.181 53.340 37.774 1.00 0.00 WT1 H ATOM 11554 OH2 TIP3 3084 48.088 20.791 58.833 1.00 0.00 WT1 O ATOM 11555 H1 TIP3 3084 47.790 20.865 57.927 1.00 0.00 WT1 H ATOM 11556 H2 TIP3 3084 48.417 19.895 58.906 1.00 0.00 WT1 H ATOM 11557 OH2 TIP3 3085 74.649 14.008 65.074 1.00 0.00 WT1 O ATOM 11558 H1 TIP3 3085 74.985 13.142 64.845 1.00 0.00 WT1 H ATOM 11559 H2 TIP3 3085 75.235 14.619 64.627 1.00 0.00 WT1 H ATOM 11560 OH2 TIP3 3086 60.720 59.978 -8.741 1.00 0.00 WT1 O ATOM 11561 H1 TIP3 3086 60.486 59.063 -8.898 1.00 0.00 WT1 H ATOM 11562 H2 TIP3 3086 59.960 60.475 -9.045 1.00 0.00 WT1 H ATOM 11563 OH2 TIP3 3087 52.220 9.482 3.615 1.00 0.00 WT1 O ATOM 11564 H1 TIP3 3087 51.708 9.462 2.807 1.00 0.00 WT1 H ATOM 11565 H2 TIP3 3087 51.578 9.327 4.309 1.00 0.00 WT1 H ATOM 11566 OH2 TIP3 3088 77.041 80.402 -18.353 1.00 0.00 WT1 O ATOM 11567 H1 TIP3 3088 76.248 80.780 -17.972 1.00 0.00 WT1 H ATOM 11568 H2 TIP3 3088 77.669 80.387 -17.631 1.00 0.00 WT1 H ATOM 11569 OH2 TIP3 3089 89.451 29.062 2.349 1.00 0.00 WT1 O ATOM 11570 H1 TIP3 3089 89.947 28.280 2.106 1.00 0.00 WT1 H ATOM 11571 H2 TIP3 3089 88.543 28.843 2.141 1.00 0.00 WT1 H ATOM 11572 OH2 TIP3 3090 59.549 44.803 53.054 1.00 0.00 WT1 O ATOM 11573 H1 TIP3 3090 58.901 44.956 53.742 1.00 0.00 WT1 H ATOM 11574 H2 TIP3 3090 60.387 45.025 53.459 1.00 0.00 WT1 H ATOM 11575 OH2 TIP3 3091 42.641 93.071 -11.155 1.00 0.00 WT1 O ATOM 11576 H1 TIP3 3091 42.887 93.556 -10.368 1.00 0.00 WT1 H ATOM 11577 H2 TIP3 3091 43.222 93.408 -11.836 1.00 0.00 WT1 H ATOM 11578 OH2 TIP3 3092 30.123 45.267 52.391 1.00 0.00 WT1 O ATOM 11579 H1 TIP3 3092 30.758 44.869 51.796 1.00 0.00 WT1 H ATOM 11580 H2 TIP3 3092 29.334 44.736 52.290 1.00 0.00 WT1 H ATOM 11581 OH2 TIP3 3093 42.616 23.037 28.487 1.00 0.00 WT1 O ATOM 11582 H1 TIP3 3093 42.897 22.123 28.437 1.00 0.00 WT1 H ATOM 11583 H2 TIP3 3093 41.735 23.038 28.112 1.00 0.00 WT1 H ATOM 11584 OH2 TIP3 3094 22.558 24.689 26.136 1.00 0.00 WT1 O ATOM 11585 H1 TIP3 3094 22.931 23.815 26.014 1.00 0.00 WT1 H ATOM 11586 H2 TIP3 3094 22.877 25.193 25.388 1.00 0.00 WT1 H ATOM 11587 OH2 TIP3 3095 43.060 41.242 -14.915 1.00 0.00 WT1 O ATOM 11588 H1 TIP3 3095 43.320 42.136 -15.138 1.00 0.00 WT1 H ATOM 11589 H2 TIP3 3095 42.312 41.349 -14.327 1.00 0.00 WT1 H ATOM 11590 OH2 TIP3 3096 34.910 17.023 10.346 1.00 0.00 WT1 O ATOM 11591 H1 TIP3 3096 34.850 16.069 10.398 1.00 0.00 WT1 H ATOM 11592 H2 TIP3 3096 35.848 17.208 10.401 1.00 0.00 WT1 H ATOM 11593 OH2 TIP3 3097 90.285 78.705 53.615 1.00 0.00 WT1 O ATOM 11594 H1 TIP3 3097 89.814 79.336 54.159 1.00 0.00 WT1 H ATOM 11595 H2 TIP3 3097 90.801 79.243 53.015 1.00 0.00 WT1 H ATOM 11596 OH2 TIP3 3098 83.868 31.815 15.038 1.00 0.00 WT1 O ATOM 11597 H1 TIP3 3098 84.720 31.389 14.947 1.00 0.00 WT1 H ATOM 11598 H2 TIP3 3098 83.326 31.416 14.357 1.00 0.00 WT1 H ATOM 11599 OH2 TIP3 3100 47.899 63.302 -7.747 1.00 0.00 WT1 O ATOM 11600 H1 TIP3 3100 47.171 63.864 -7.483 1.00 0.00 WT1 H ATOM 11601 H2 TIP3 3100 48.673 63.716 -7.364 1.00 0.00 WT1 H ATOM 11602 OH2 TIP3 3102 21.979 5.508 52.037 1.00 0.00 WT1 O ATOM 11603 H1 TIP3 3102 22.066 5.703 51.104 1.00 0.00 WT1 H ATOM 11604 H2 TIP3 3102 21.688 4.597 52.066 1.00 0.00 WT1 H ATOM 11605 OH2 TIP3 3103 32.972 50.073 52.824 1.00 0.00 WT1 O ATOM 11606 H1 TIP3 3103 33.681 49.513 53.140 1.00 0.00 WT1 H ATOM 11607 H2 TIP3 3103 32.305 50.025 53.510 1.00 0.00 WT1 H ATOM 11608 OH2 TIP3 3104 29.076 32.007 58.258 1.00 0.00 WT1 O ATOM 11609 H1 TIP3 3104 28.991 32.942 58.447 1.00 0.00 WT1 H ATOM 11610 H2 TIP3 3104 28.181 31.670 58.305 1.00 0.00 WT1 H ATOM 11611 OH2 TIP3 3105 89.412 85.658 12.239 1.00 0.00 WT1 O ATOM 11612 H1 TIP3 3105 88.576 85.191 12.239 1.00 0.00 WT1 H ATOM 11613 H2 TIP3 3105 90.073 84.966 12.225 1.00 0.00 WT1 H ATOM 11614 OH2 TIP3 3106 48.966 78.151 65.245 1.00 0.00 WT1 O ATOM 11615 H1 TIP3 3106 49.479 78.606 65.913 1.00 0.00 WT1 H ATOM 11616 H2 TIP3 3106 49.189 77.227 65.359 1.00 0.00 WT1 H ATOM 11617 OH2 TIP3 3107 85.239 11.703 49.301 1.00 0.00 WT1 O ATOM 11618 H1 TIP3 3107 85.408 12.330 50.004 1.00 0.00 WT1 H ATOM 11619 H2 TIP3 3107 84.300 11.529 49.355 1.00 0.00 WT1 H ATOM 11620 OH2 TIP3 3108 30.407 11.200 9.345 1.00 0.00 WT1 O ATOM 11621 H1 TIP3 3108 30.990 11.902 9.058 1.00 0.00 WT1 H ATOM 11622 H2 TIP3 3108 30.967 10.425 9.389 1.00 0.00 WT1 H ATOM 11623 OH2 TIP3 3109 87.035 10.988 4.437 1.00 0.00 WT1 O ATOM 11624 H1 TIP3 3109 86.967 10.153 4.902 1.00 0.00 WT1 H ATOM 11625 H2 TIP3 3109 86.411 11.562 4.882 1.00 0.00 WT1 H ATOM 11626 OH2 TIP3 3110 48.633 65.789 11.624 1.00 0.00 WT1 O ATOM 11627 H1 TIP3 3110 49.475 65.367 11.455 1.00 0.00 WT1 H ATOM 11628 H2 TIP3 3110 48.858 66.601 12.078 1.00 0.00 WT1 H ATOM 11629 OH2 TIP3 3111 52.701 35.146 11.159 1.00 0.00 WT1 O ATOM 11630 H1 TIP3 3111 51.986 35.471 11.707 1.00 0.00 WT1 H ATOM 11631 H2 TIP3 3111 52.880 34.267 11.493 1.00 0.00 WT1 H ATOM 11632 OH2 TIP3 3112 39.015 15.755 59.386 1.00 0.00 WT1 O ATOM 11633 H1 TIP3 3112 38.634 15.936 58.526 1.00 0.00 WT1 H ATOM 11634 H2 TIP3 3112 38.272 15.485 59.925 1.00 0.00 WT1 H ATOM 11635 OH2 TIP3 3113 86.775 15.333 4.508 1.00 0.00 WT1 O ATOM 11636 H1 TIP3 3113 87.572 15.836 4.678 1.00 0.00 WT1 H ATOM 11637 H2 TIP3 3113 86.458 15.084 5.376 1.00 0.00 WT1 H ATOM 11638 OH2 TIP3 3114 51.519 44.596 36.471 1.00 0.00 WT1 O ATOM 11639 H1 TIP3 3114 51.019 43.972 35.944 1.00 0.00 WT1 H ATOM 11640 H2 TIP3 3114 51.158 45.451 36.236 1.00 0.00 WT1 H ATOM 11641 OH2 TIP3 3115 63.318 37.566 -15.443 1.00 0.00 WT1 O ATOM 11642 H1 TIP3 3115 62.660 37.485 -16.133 1.00 0.00 WT1 H ATOM 11643 H2 TIP3 3115 63.076 36.899 -14.800 1.00 0.00 WT1 H ATOM 11644 OH2 TIP3 3116 50.019 40.505 1.375 1.00 0.00 WT1 O ATOM 11645 H1 TIP3 3116 49.070 40.468 1.494 1.00 0.00 WT1 H ATOM 11646 H2 TIP3 3116 50.296 41.262 1.892 1.00 0.00 WT1 H ATOM 11647 OH2 TIP3 3118 85.335 82.465 57.491 1.00 0.00 WT1 O ATOM 11648 H1 TIP3 3118 84.765 82.251 56.751 1.00 0.00 WT1 H ATOM 11649 H2 TIP3 3118 85.324 83.421 57.533 1.00 0.00 WT1 H ATOM 11650 OH2 TIP3 3119 77.748 31.248 63.398 1.00 0.00 WT1 O ATOM 11651 H1 TIP3 3119 78.636 31.605 63.395 1.00 0.00 WT1 H ATOM 11652 H2 TIP3 3119 77.385 31.498 62.549 1.00 0.00 WT1 H ATOM 11653 OH2 TIP3 3120 40.028 4.458 -12.372 1.00 0.00 WT1 O ATOM 11654 H1 TIP3 3120 40.976 4.433 -12.499 1.00 0.00 WT1 H ATOM 11655 H2 TIP3 3120 39.894 5.121 -11.695 1.00 0.00 WT1 H ATOM 11656 OH2 TIP3 3121 90.291 35.355 -9.662 1.00 0.00 WT1 O ATOM 11657 H1 TIP3 3121 89.687 34.693 -9.997 1.00 0.00 WT1 H ATOM 11658 H2 TIP3 3121 90.701 35.723 -10.445 1.00 0.00 WT1 H ATOM 11659 OH2 TIP3 3123 68.510 4.269 6.417 1.00 0.00 WT1 O ATOM 11660 H1 TIP3 3123 67.575 4.170 6.242 1.00 0.00 WT1 H ATOM 11661 H2 TIP3 3123 68.864 4.663 5.620 1.00 0.00 WT1 H ATOM 11662 OH2 TIP3 3124 27.481 15.398 45.729 1.00 0.00 WT1 O ATOM 11663 H1 TIP3 3124 27.194 16.309 45.792 1.00 0.00 WT1 H ATOM 11664 H2 TIP3 3124 27.448 15.074 46.629 1.00 0.00 WT1 H ATOM 11665 OH2 TIP3 3126 43.567 26.030 64.760 1.00 0.00 WT1 O ATOM 11666 H1 TIP3 3126 44.488 25.834 64.587 1.00 0.00 WT1 H ATOM 11667 H2 TIP3 3126 43.306 26.608 64.043 1.00 0.00 WT1 H ATOM 11668 OH2 TIP3 3128 84.932 88.305 6.916 1.00 0.00 WT1 O ATOM 11669 H1 TIP3 3128 84.691 87.997 6.043 1.00 0.00 WT1 H ATOM 11670 H2 TIP3 3128 84.105 88.583 7.309 1.00 0.00 WT1 H ATOM 11671 OH2 TIP3 3129 69.967 34.316 -7.957 1.00 0.00 WT1 O ATOM 11672 H1 TIP3 3129 69.606 35.144 -7.642 1.00 0.00 WT1 H ATOM 11673 H2 TIP3 3129 70.914 34.454 -7.964 1.00 0.00 WT1 H ATOM 11674 OH2 TIP3 3130 79.547 81.691 15.350 1.00 0.00 WT1 O ATOM 11675 H1 TIP3 3130 79.637 81.499 14.416 1.00 0.00 WT1 H ATOM 11676 H2 TIP3 3130 80.415 81.991 15.618 1.00 0.00 WT1 H ATOM 11677 OH2 TIP3 3131 71.667 7.078 21.952 1.00 0.00 WT1 O ATOM 11678 H1 TIP3 3131 70.803 7.233 21.570 1.00 0.00 WT1 H ATOM 11679 H2 TIP3 3131 72.073 7.945 21.986 1.00 0.00 WT1 H ATOM 11680 OH2 TIP3 3132 45.219 18.590 32.363 1.00 0.00 WT1 O ATOM 11681 H1 TIP3 3132 45.982 18.967 31.926 1.00 0.00 WT1 H ATOM 11682 H2 TIP3 3132 44.628 18.350 31.649 1.00 0.00 WT1 H ATOM 11683 OH2 TIP3 3134 44.070 61.850 15.547 1.00 0.00 WT1 O ATOM 11684 H1 TIP3 3134 44.805 62.420 15.774 1.00 0.00 WT1 H ATOM 11685 H2 TIP3 3134 43.302 62.421 15.590 1.00 0.00 WT1 H ATOM 11686 OH2 TIP3 3135 66.523 65.182 49.713 1.00 0.00 WT1 O ATOM 11687 H1 TIP3 3135 66.001 65.231 48.911 1.00 0.00 WT1 H ATOM 11688 H2 TIP3 3135 67.430 65.156 49.408 1.00 0.00 WT1 H ATOM 11689 OH2 TIP3 3136 43.527 71.931 -0.110 1.00 0.00 WT1 O ATOM 11690 H1 TIP3 3136 43.304 71.335 0.605 1.00 0.00 WT1 H ATOM 11691 H2 TIP3 3136 42.983 72.703 0.042 1.00 0.00 WT1 H ATOM 11692 OH2 TIP3 3137 32.224 87.584 38.887 1.00 0.00 WT1 O ATOM 11693 H1 TIP3 3137 32.097 87.317 39.797 1.00 0.00 WT1 H ATOM 11694 H2 TIP3 3137 32.597 86.812 38.461 1.00 0.00 WT1 H ATOM 11695 OH2 TIP3 3138 21.845 43.984 33.026 1.00 0.00 WT1 O ATOM 11696 H1 TIP3 3138 20.987 43.841 33.426 1.00 0.00 WT1 H ATOM 11697 H2 TIP3 3138 21.740 44.784 32.511 1.00 0.00 WT1 H ATOM 11698 OH2 TIP3 3139 34.079 33.065 51.158 1.00 0.00 WT1 O ATOM 11699 H1 TIP3 3139 34.641 33.770 50.835 1.00 0.00 WT1 H ATOM 11700 H2 TIP3 3139 34.627 32.282 51.115 1.00 0.00 WT1 H ATOM 11701 OH2 TIP3 3140 75.744 51.192 -5.124 1.00 0.00 WT1 O ATOM 11702 H1 TIP3 3140 75.313 50.389 -5.418 1.00 0.00 WT1 H ATOM 11703 H2 TIP3 3140 75.136 51.572 -4.489 1.00 0.00 WT1 H ATOM 11704 OH2 TIP3 3142 43.566 6.458 -5.400 1.00 0.00 WT1 O ATOM 11705 H1 TIP3 3142 43.575 7.374 -5.123 1.00 0.00 WT1 H ATOM 11706 H2 TIP3 3142 43.221 6.480 -6.292 1.00 0.00 WT1 H ATOM 11707 OH2 TIP3 3143 49.934 64.549 5.890 1.00 0.00 WT1 O ATOM 11708 H1 TIP3 3143 49.656 64.841 6.757 1.00 0.00 WT1 H ATOM 11709 H2 TIP3 3143 50.707 64.009 6.055 1.00 0.00 WT1 H ATOM 11710 OH2 TIP3 3144 25.738 35.959 64.823 1.00 0.00 WT1 O ATOM 11711 H1 TIP3 3144 25.844 36.214 63.907 1.00 0.00 WT1 H ATOM 11712 H2 TIP3 3144 26.632 35.894 65.159 1.00 0.00 WT1 H ATOM 11713 OH2 TIP3 3145 61.640 34.697 39.338 1.00 0.00 WT1 O ATOM 11714 H1 TIP3 3145 62.129 34.438 38.557 1.00 0.00 WT1 H ATOM 11715 H2 TIP3 3145 61.511 35.641 39.239 1.00 0.00 WT1 H ATOM 11716 OH2 TIP3 3146 30.059 92.113 38.365 1.00 0.00 WT1 O ATOM 11717 H1 TIP3 3146 29.372 92.677 38.720 1.00 0.00 WT1 H ATOM 11718 H2 TIP3 3146 30.611 91.904 39.119 1.00 0.00 WT1 H ATOM 11719 OH2 TIP3 3147 87.761 34.384 8.991 1.00 0.00 WT1 O ATOM 11720 H1 TIP3 3147 87.347 33.526 8.895 1.00 0.00 WT1 H ATOM 11721 H2 TIP3 3147 88.697 34.193 9.058 1.00 0.00 WT1 H ATOM 11722 OH2 TIP3 3148 68.739 49.933 40.607 1.00 0.00 WT1 O ATOM 11723 H1 TIP3 3148 68.323 50.768 40.821 1.00 0.00 WT1 H ATOM 11724 H2 TIP3 3148 68.118 49.499 40.021 1.00 0.00 WT1 H ATOM 11725 OH2 TIP3 3149 58.523 28.277 -18.967 1.00 0.00 WT1 O ATOM 11726 H1 TIP3 3149 58.998 28.340 -19.796 1.00 0.00 WT1 H ATOM 11727 H2 TIP3 3149 58.088 29.125 -18.875 1.00 0.00 WT1 H ATOM 11728 OH2 TIP3 3150 81.998 1.765 48.455 1.00 0.00 WT1 O ATOM 11729 H1 TIP3 3150 81.603 1.987 47.612 1.00 0.00 WT1 H ATOM 11730 H2 TIP3 3150 82.742 1.205 48.231 1.00 0.00 WT1 H ATOM 11731 OH2 TIP3 3152 59.117 11.871 39.518 1.00 0.00 WT1 O ATOM 11732 H1 TIP3 3152 59.074 11.929 38.564 1.00 0.00 WT1 H ATOM 11733 H2 TIP3 3152 59.589 12.661 39.784 1.00 0.00 WT1 H ATOM 11734 OH2 TIP3 3153 46.600 50.382 2.096 1.00 0.00 WT1 O ATOM 11735 H1 TIP3 3153 47.123 50.906 2.703 1.00 0.00 WT1 H ATOM 11736 H2 TIP3 3153 46.927 50.622 1.229 1.00 0.00 WT1 H ATOM 11737 OH2 TIP3 3154 43.273 1.303 -19.840 1.00 0.00 WT1 O ATOM 11738 H1 TIP3 3154 43.005 2.083 -19.354 1.00 0.00 WT1 H ATOM 11739 H2 TIP3 3154 42.463 0.809 -19.967 1.00 0.00 WT1 H ATOM 11740 OH2 TIP3 3155 65.127 35.550 8.485 1.00 0.00 WT1 O ATOM 11741 H1 TIP3 3155 64.676 36.215 9.006 1.00 0.00 WT1 H ATOM 11742 H2 TIP3 3155 65.361 35.999 7.673 1.00 0.00 WT1 H ATOM 11743 OH2 TIP3 3157 87.345 42.367 -15.802 1.00 0.00 WT1 O ATOM 11744 H1 TIP3 3157 86.453 42.390 -15.455 1.00 0.00 WT1 H ATOM 11745 H2 TIP3 3157 87.713 41.551 -15.465 1.00 0.00 WT1 H ATOM 11746 OH2 TIP3 3158 78.290 24.944 35.035 1.00 0.00 WT1 O ATOM 11747 H1 TIP3 3158 77.969 24.181 34.554 1.00 0.00 WT1 H ATOM 11748 H2 TIP3 3158 79.217 25.000 34.805 1.00 0.00 WT1 H ATOM 11749 OH2 TIP3 3159 72.252 0.583 35.292 1.00 0.00 WT1 O ATOM 11750 H1 TIP3 3159 71.958 1.161 35.997 1.00 0.00 WT1 H ATOM 11751 H2 TIP3 3159 71.714 -0.203 35.387 1.00 0.00 WT1 H ATOM 11752 OH2 TIP3 3160 71.906 34.733 2.875 1.00 0.00 WT1 O ATOM 11753 H1 TIP3 3160 71.013 35.079 2.886 1.00 0.00 WT1 H ATOM 11754 H2 TIP3 3160 72.385 35.285 3.492 1.00 0.00 WT1 H ATOM 11755 OH2 TIP3 3161 73.461 25.352 16.401 1.00 0.00 WT1 O ATOM 11756 H1 TIP3 3161 72.674 24.944 16.040 1.00 0.00 WT1 H ATOM 11757 H2 TIP3 3161 73.525 26.193 15.949 1.00 0.00 WT1 H ATOM 11758 OH2 TIP3 3163 28.829 13.756 -10.795 1.00 0.00 WT1 O ATOM 11759 H1 TIP3 3163 28.150 14.353 -11.110 1.00 0.00 WT1 H ATOM 11760 H2 TIP3 3163 28.904 13.094 -11.483 1.00 0.00 WT1 H ATOM 11761 OH2 TIP3 3164 27.254 15.420 -16.638 1.00 0.00 WT1 O ATOM 11762 H1 TIP3 3164 27.099 14.993 -17.480 1.00 0.00 WT1 H ATOM 11763 H2 TIP3 3164 26.385 15.492 -16.242 1.00 0.00 WT1 H ATOM 11764 OH2 TIP3 3166 37.049 56.508 -8.743 1.00 0.00 WT1 O ATOM 11765 H1 TIP3 3166 36.611 56.744 -7.925 1.00 0.00 WT1 H ATOM 11766 H2 TIP3 3166 37.899 56.164 -8.469 1.00 0.00 WT1 H ATOM 11767 OH2 TIP3 3167 30.592 54.622 22.926 1.00 0.00 WT1 O ATOM 11768 H1 TIP3 3167 29.905 54.039 22.603 1.00 0.00 WT1 H ATOM 11769 H2 TIP3 3167 30.637 55.323 22.276 1.00 0.00 WT1 H ATOM 11770 OH2 TIP3 3168 24.991 78.749 -8.290 1.00 0.00 WT1 O ATOM 11771 H1 TIP3 3168 25.902 78.647 -8.017 1.00 0.00 WT1 H ATOM 11772 H2 TIP3 3168 24.896 79.686 -8.464 1.00 0.00 WT1 H ATOM 11773 OH2 TIP3 3169 30.208 4.223 63.421 1.00 0.00 WT1 O ATOM 11774 H1 TIP3 3169 29.910 3.734 64.188 1.00 0.00 WT1 H ATOM 11775 H2 TIP3 3169 31.106 3.923 63.279 1.00 0.00 WT1 H ATOM 11776 OH2 TIP3 3171 86.156 37.762 42.712 1.00 0.00 WT1 O ATOM 11777 H1 TIP3 3171 86.465 37.153 42.040 1.00 0.00 WT1 H ATOM 11778 H2 TIP3 3171 86.911 38.322 42.893 1.00 0.00 WT1 H ATOM 11779 OH2 TIP3 3173 57.130 94.285 57.962 1.00 0.00 WT1 O ATOM 11780 H1 TIP3 3173 57.247 93.371 58.221 1.00 0.00 WT1 H ATOM 11781 H2 TIP3 3173 56.996 94.251 57.015 1.00 0.00 WT1 H ATOM 11782 OH2 TIP3 3174 69.054 27.363 4.695 1.00 0.00 WT1 O ATOM 11783 H1 TIP3 3174 69.990 27.349 4.895 1.00 0.00 WT1 H ATOM 11784 H2 TIP3 3174 68.990 27.865 3.882 1.00 0.00 WT1 H ATOM 11785 OH2 TIP3 3175 77.851 40.643 26.814 1.00 0.00 WT1 O ATOM 11786 H1 TIP3 3175 77.732 40.079 26.050 1.00 0.00 WT1 H ATOM 11787 H2 TIP3 3175 77.695 40.068 27.563 1.00 0.00 WT1 H ATOM 11788 OH2 TIP3 3176 20.795 27.412 -8.972 1.00 0.00 WT1 O ATOM 11789 H1 TIP3 3176 20.706 27.653 -8.050 1.00 0.00 WT1 H ATOM 11790 H2 TIP3 3176 21.534 27.933 -9.286 1.00 0.00 WT1 H ATOM 11791 OH2 TIP3 3177 82.995 80.639 42.517 1.00 0.00 WT1 O ATOM 11792 H1 TIP3 3177 83.625 80.677 41.797 1.00 0.00 WT1 H ATOM 11793 H2 TIP3 3177 82.155 80.466 42.093 1.00 0.00 WT1 H ATOM 11794 OH2 TIP3 3179 48.427 0.872 32.468 1.00 0.00 WT1 O ATOM 11795 H1 TIP3 3179 48.504 -0.081 32.416 1.00 0.00 WT1 H ATOM 11796 H2 TIP3 3179 48.559 1.072 33.395 1.00 0.00 WT1 H ATOM 11797 OH2 TIP3 3180 52.470 32.612 -5.539 1.00 0.00 WT1 O ATOM 11798 H1 TIP3 3180 51.632 33.057 -5.673 1.00 0.00 WT1 H ATOM 11799 H2 TIP3 3180 52.646 32.708 -4.603 1.00 0.00 WT1 H ATOM 11800 OH2 TIP3 3181 76.641 61.711 60.374 1.00 0.00 WT1 O ATOM 11801 H1 TIP3 3181 76.260 61.609 59.502 1.00 0.00 WT1 H ATOM 11802 H2 TIP3 3181 76.024 62.276 60.841 1.00 0.00 WT1 H ATOM 11803 OH2 TIP3 3183 68.968 36.376 -17.991 1.00 0.00 WT1 O ATOM 11804 H1 TIP3 3183 68.386 37.023 -17.591 1.00 0.00 WT1 H ATOM 11805 H2 TIP3 3183 68.962 35.639 -17.380 1.00 0.00 WT1 H ATOM 11806 OH2 TIP3 3184 52.084 62.989 6.616 1.00 0.00 WT1 O ATOM 11807 H1 TIP3 3184 52.373 62.638 5.773 1.00 0.00 WT1 H ATOM 11808 H2 TIP3 3184 52.837 62.875 7.195 1.00 0.00 WT1 H ATOM 11809 OH2 TIP3 3186 41.727 10.206 -16.529 1.00 0.00 WT1 O ATOM 11810 H1 TIP3 3186 41.970 9.473 -17.093 1.00 0.00 WT1 H ATOM 11811 H2 TIP3 3186 41.142 10.740 -17.066 1.00 0.00 WT1 H ATOM 11812 OH2 TIP3 3187 54.087 7.725 22.677 1.00 0.00 WT1 O ATOM 11813 H1 TIP3 3187 53.860 7.417 21.800 1.00 0.00 WT1 H ATOM 11814 H2 TIP3 3187 55.023 7.921 22.628 1.00 0.00 WT1 H ATOM 11815 OH2 TIP3 3188 34.824 24.815 28.570 1.00 0.00 WT1 O ATOM 11816 H1 TIP3 3188 34.307 25.603 28.400 1.00 0.00 WT1 H ATOM 11817 H2 TIP3 3188 35.733 25.101 28.481 1.00 0.00 WT1 H ATOM 11818 OH2 TIP3 3189 89.564 23.892 3.273 1.00 0.00 WT1 O ATOM 11819 H1 TIP3 3189 89.544 24.534 3.983 1.00 0.00 WT1 H ATOM 11820 H2 TIP3 3189 90.477 23.881 2.985 1.00 0.00 WT1 H ATOM 11821 OH2 TIP3 3190 89.445 0.736 51.541 1.00 0.00 WT1 O ATOM 11822 H1 TIP3 3190 88.884 0.969 50.801 1.00 0.00 WT1 H ATOM 11823 H2 TIP3 3190 88.842 0.647 52.280 1.00 0.00 WT1 H ATOM 11824 OH2 TIP3 3191 74.838 41.328 12.489 1.00 0.00 WT1 O ATOM 11825 H1 TIP3 3191 74.079 41.713 12.927 1.00 0.00 WT1 H ATOM 11826 H2 TIP3 3191 74.536 40.468 12.197 1.00 0.00 WT1 H ATOM 11827 OH2 TIP3 3192 49.624 3.091 -19.497 1.00 0.00 WT1 O ATOM 11828 H1 TIP3 3192 48.863 3.538 -19.867 1.00 0.00 WT1 H ATOM 11829 H2 TIP3 3192 49.288 2.653 -18.714 1.00 0.00 WT1 H ATOM 11830 OH2 TIP3 3193 83.406 14.388 -13.213 1.00 0.00 WT1 O ATOM 11831 H1 TIP3 3193 82.467 14.345 -13.395 1.00 0.00 WT1 H ATOM 11832 H2 TIP3 3193 83.621 15.319 -13.277 1.00 0.00 WT1 H ATOM 11833 OH2 TIP3 3194 73.466 31.825 -3.715 1.00 0.00 WT1 O ATOM 11834 H1 TIP3 3194 73.850 31.526 -2.891 1.00 0.00 WT1 H ATOM 11835 H2 TIP3 3194 72.586 32.116 -3.478 1.00 0.00 WT1 H ATOM 11836 OH2 TIP3 3195 25.228 92.766 15.435 1.00 0.00 WT1 O ATOM 11837 H1 TIP3 3195 24.960 93.413 14.782 1.00 0.00 WT1 H ATOM 11838 H2 TIP3 3195 25.589 93.285 16.153 1.00 0.00 WT1 H ATOM 11839 OH2 TIP3 3196 60.367 24.306 32.159 1.00 0.00 WT1 O ATOM 11840 H1 TIP3 3196 60.204 23.827 32.971 1.00 0.00 WT1 H ATOM 11841 H2 TIP3 3196 59.518 24.326 31.717 1.00 0.00 WT1 H ATOM 11842 OH2 TIP3 3197 55.488 27.330 13.603 1.00 0.00 WT1 O ATOM 11843 H1 TIP3 3197 54.733 26.912 14.018 1.00 0.00 WT1 H ATOM 11844 H2 TIP3 3197 56.067 27.556 14.331 1.00 0.00 WT1 H ATOM 11845 OH2 TIP3 3198 62.692 12.679 41.895 1.00 0.00 WT1 O ATOM 11846 H1 TIP3 3198 61.941 12.982 42.405 1.00 0.00 WT1 H ATOM 11847 H2 TIP3 3198 62.849 11.787 42.205 1.00 0.00 WT1 H ATOM 11848 OH2 TIP3 3199 63.444 28.163 62.221 1.00 0.00 WT1 O ATOM 11849 H1 TIP3 3199 63.395 27.290 61.832 1.00 0.00 WT1 H ATOM 11850 H2 TIP3 3199 64.315 28.201 62.616 1.00 0.00 WT1 H ATOM 11851 OH2 TIP3 3200 65.979 23.243 36.151 1.00 0.00 WT1 O ATOM 11852 H1 TIP3 3200 66.757 23.298 35.596 1.00 0.00 WT1 H ATOM 11853 H2 TIP3 3200 65.915 24.105 36.561 1.00 0.00 WT1 H ATOM 11854 OH2 TIP3 3202 49.425 1.360 -17.296 1.00 0.00 WT1 O ATOM 11855 H1 TIP3 3202 50.349 1.138 -17.412 1.00 0.00 WT1 H ATOM 11856 H2 TIP3 3202 49.064 0.632 -16.791 1.00 0.00 WT1 H ATOM 11857 OH2 TIP3 3206 77.462 18.100 -13.511 1.00 0.00 WT1 O ATOM 11858 H1 TIP3 3206 77.232 18.768 -14.157 1.00 0.00 WT1 H ATOM 11859 H2 TIP3 3206 78.302 18.391 -13.155 1.00 0.00 WT1 H ATOM 11860 OH2 TIP3 3207 73.308 58.089 -13.280 1.00 0.00 WT1 O ATOM 11861 H1 TIP3 3207 72.490 57.771 -13.662 1.00 0.00 WT1 H ATOM 11862 H2 TIP3 3207 73.236 59.042 -13.319 1.00 0.00 WT1 H ATOM 11863 OH2 TIP3 3208 49.081 45.469 57.205 1.00 0.00 WT1 O ATOM 11864 H1 TIP3 3208 49.974 45.760 57.018 1.00 0.00 WT1 H ATOM 11865 H2 TIP3 3208 48.534 46.225 56.991 1.00 0.00 WT1 H ATOM 11866 OH2 TIP3 3209 61.223 95.024 23.147 1.00 0.00 WT1 O ATOM 11867 H1 TIP3 3209 60.282 94.852 23.104 1.00 0.00 WT1 H ATOM 11868 H2 TIP3 3209 61.492 94.675 23.996 1.00 0.00 WT1 H ATOM 11869 OH2 TIP3 3210 77.801 75.007 47.050 1.00 0.00 WT1 O ATOM 11870 H1 TIP3 3210 77.336 74.186 46.888 1.00 0.00 WT1 H ATOM 11871 H2 TIP3 3210 77.520 75.273 47.926 1.00 0.00 WT1 H ATOM 11872 OH2 TIP3 3211 41.448 64.487 47.213 1.00 0.00 WT1 O ATOM 11873 H1 TIP3 3211 41.170 64.118 46.375 1.00 0.00 WT1 H ATOM 11874 H2 TIP3 3211 42.366 64.719 47.081 1.00 0.00 WT1 H ATOM 11875 OH2 TIP3 3212 26.338 80.946 65.268 1.00 0.00 WT1 O ATOM 11876 H1 TIP3 3212 27.039 80.316 65.432 1.00 0.00 WT1 H ATOM 11877 H2 TIP3 3212 26.499 81.259 64.378 1.00 0.00 WT1 H ATOM 11878 OH2 TIP3 3213 28.640 78.014 58.659 1.00 0.00 WT1 O ATOM 11879 H1 TIP3 3213 28.730 77.128 59.010 1.00 0.00 WT1 H ATOM 11880 H2 TIP3 3213 27.976 77.935 57.974 1.00 0.00 WT1 H ATOM 11881 OH2 TIP3 3214 58.341 89.515 0.885 1.00 0.00 WT1 O ATOM 11882 H1 TIP3 3214 58.268 88.856 0.194 1.00 0.00 WT1 H ATOM 11883 H2 TIP3 3214 58.266 90.352 0.428 1.00 0.00 WT1 H ATOM 11884 OH2 TIP3 3215 26.927 8.043 -0.148 1.00 0.00 WT1 O ATOM 11885 H1 TIP3 3215 26.531 8.659 -0.764 1.00 0.00 WT1 H ATOM 11886 H2 TIP3 3215 27.529 7.523 -0.681 1.00 0.00 WT1 H ATOM 11887 OH2 TIP3 3216 36.320 28.163 64.781 1.00 0.00 WT1 O ATOM 11888 H1 TIP3 3216 36.285 27.327 65.244 1.00 0.00 WT1 H ATOM 11889 H2 TIP3 3216 37.236 28.254 64.518 1.00 0.00 WT1 H ATOM 11890 OH2 TIP3 3217 22.249 61.671 44.977 1.00 0.00 WT1 O ATOM 11891 H1 TIP3 3217 21.511 61.095 45.176 1.00 0.00 WT1 H ATOM 11892 H2 TIP3 3217 23.017 61.102 45.026 1.00 0.00 WT1 H ATOM 11893 OH2 TIP3 3218 31.939 27.648 -15.274 1.00 0.00 WT1 O ATOM 11894 H1 TIP3 3218 31.320 28.347 -15.487 1.00 0.00 WT1 H ATOM 11895 H2 TIP3 3218 32.798 28.067 -15.318 1.00 0.00 WT1 H ATOM 11896 OH2 TIP3 3219 44.426 40.303 -9.903 1.00 0.00 WT1 O ATOM 11897 H1 TIP3 3219 44.708 39.465 -10.270 1.00 0.00 WT1 H ATOM 11898 H2 TIP3 3219 44.015 40.074 -9.069 1.00 0.00 WT1 H ATOM 11899 OH2 TIP3 3220 83.419 92.278 -0.906 1.00 0.00 WT1 O ATOM 11900 H1 TIP3 3220 83.851 91.626 -1.458 1.00 0.00 WT1 H ATOM 11901 H2 TIP3 3220 83.087 92.932 -1.521 1.00 0.00 WT1 H ATOM 11902 OH2 TIP3 3223 80.031 17.540 37.976 1.00 0.00 WT1 O ATOM 11903 H1 TIP3 3223 80.805 17.549 38.539 1.00 0.00 WT1 H ATOM 11904 H2 TIP3 3223 79.328 17.881 38.529 1.00 0.00 WT1 H ATOM 11905 OH2 TIP3 3225 54.951 27.287 62.639 1.00 0.00 WT1 O ATOM 11906 H1 TIP3 3225 55.539 26.664 63.065 1.00 0.00 WT1 H ATOM 11907 H2 TIP3 3225 54.074 27.005 62.898 1.00 0.00 WT1 H ATOM 11908 OH2 TIP3 3226 79.279 14.768 -8.634 1.00 0.00 WT1 O ATOM 11909 H1 TIP3 3226 79.155 13.869 -8.940 1.00 0.00 WT1 H ATOM 11910 H2 TIP3 3226 78.728 15.296 -9.211 1.00 0.00 WT1 H ATOM 11911 OH2 TIP3 3227 44.901 9.798 -12.649 1.00 0.00 WT1 O ATOM 11912 H1 TIP3 3227 44.903 9.230 -11.878 1.00 0.00 WT1 H ATOM 11913 H2 TIP3 3227 43.988 10.069 -12.745 1.00 0.00 WT1 H ATOM 11914 OH2 TIP3 3228 36.206 89.983 18.881 1.00 0.00 WT1 O ATOM 11915 H1 TIP3 3228 36.735 89.192 18.989 1.00 0.00 WT1 H ATOM 11916 H2 TIP3 3228 36.553 90.594 19.531 1.00 0.00 WT1 H ATOM 11917 OH2 TIP3 3230 20.702 90.297 42.871 1.00 0.00 WT1 O ATOM 11918 H1 TIP3 3230 20.844 89.463 42.423 1.00 0.00 WT1 H ATOM 11919 H2 TIP3 3230 19.833 90.213 43.263 1.00 0.00 WT1 H ATOM 11920 OH2 TIP3 3231 76.682 4.852 61.619 1.00 0.00 WT1 O ATOM 11921 H1 TIP3 3231 75.811 5.249 61.588 1.00 0.00 WT1 H ATOM 11922 H2 TIP3 3231 76.757 4.372 60.794 1.00 0.00 WT1 H ATOM 11923 OH2 TIP3 3232 41.420 82.292 26.130 1.00 0.00 WT1 O ATOM 11924 H1 TIP3 3232 40.472 82.384 26.043 1.00 0.00 WT1 H ATOM 11925 H2 TIP3 3232 41.592 81.372 25.931 1.00 0.00 WT1 H ATOM 11926 OH2 TIP3 3233 49.477 39.945 -12.733 1.00 0.00 WT1 O ATOM 11927 H1 TIP3 3233 49.373 39.208 -12.131 1.00 0.00 WT1 H ATOM 11928 H2 TIP3 3233 49.299 39.575 -13.597 1.00 0.00 WT1 H ATOM 11929 OH2 TIP3 3234 61.068 56.504 -11.318 1.00 0.00 WT1 O ATOM 11930 H1 TIP3 3234 60.772 56.124 -12.146 1.00 0.00 WT1 H ATOM 11931 H2 TIP3 3234 61.783 57.091 -11.566 1.00 0.00 WT1 H ATOM 11932 OH2 TIP3 3235 82.220 42.948 50.329 1.00 0.00 WT1 O ATOM 11933 H1 TIP3 3235 82.092 43.884 50.176 1.00 0.00 WT1 H ATOM 11934 H2 TIP3 3235 82.760 42.657 49.595 1.00 0.00 WT1 H ATOM 11935 OH2 TIP3 3236 58.684 25.173 -14.697 1.00 0.00 WT1 O ATOM 11936 H1 TIP3 3236 59.162 25.642 -15.381 1.00 0.00 WT1 H ATOM 11937 H2 TIP3 3236 57.842 25.626 -14.640 1.00 0.00 WT1 H ATOM 11938 OH2 TIP3 3237 37.388 79.720 41.985 1.00 0.00 WT1 O ATOM 11939 H1 TIP3 3237 37.765 79.911 41.126 1.00 0.00 WT1 H ATOM 11940 H2 TIP3 3237 37.409 78.766 42.050 1.00 0.00 WT1 H ATOM 11941 OH2 TIP3 3238 29.172 6.273 -3.983 1.00 0.00 WT1 O ATOM 11942 H1 TIP3 3238 29.737 5.500 -3.976 1.00 0.00 WT1 H ATOM 11943 H2 TIP3 3238 29.235 6.608 -4.878 1.00 0.00 WT1 H ATOM 11944 OH2 TIP3 3239 86.272 15.294 7.459 1.00 0.00 WT1 O ATOM 11945 H1 TIP3 3239 86.862 15.726 8.076 1.00 0.00 WT1 H ATOM 11946 H2 TIP3 3239 85.769 16.008 7.068 1.00 0.00 WT1 H ATOM 11947 OH2 TIP3 3240 62.690 60.224 36.041 1.00 0.00 WT1 O ATOM 11948 H1 TIP3 3240 62.029 60.915 36.059 1.00 0.00 WT1 H ATOM 11949 H2 TIP3 3240 62.751 59.974 35.119 1.00 0.00 WT1 H ATOM 11950 OH2 TIP3 3241 27.705 58.978 12.433 1.00 0.00 WT1 O ATOM 11951 H1 TIP3 3241 26.865 59.431 12.362 1.00 0.00 WT1 H ATOM 11952 H2 TIP3 3241 28.313 59.649 12.744 1.00 0.00 WT1 H ATOM 11953 OH2 TIP3 3242 83.810 70.380 14.801 1.00 0.00 WT1 O ATOM 11954 H1 TIP3 3242 82.969 70.269 14.357 1.00 0.00 WT1 H ATOM 11955 H2 TIP3 3242 84.395 69.761 14.365 1.00 0.00 WT1 H ATOM 11956 OH2 TIP3 3243 69.766 85.483 31.478 1.00 0.00 WT1 O ATOM 11957 H1 TIP3 3243 70.458 84.900 31.165 1.00 0.00 WT1 H ATOM 11958 H2 TIP3 3243 68.953 85.043 31.233 1.00 0.00 WT1 H ATOM 11959 OH2 TIP3 3244 58.490 2.129 -6.638 1.00 0.00 WT1 O ATOM 11960 H1 TIP3 3244 57.936 1.350 -6.684 1.00 0.00 WT1 H ATOM 11961 H2 TIP3 3244 58.392 2.440 -5.737 1.00 0.00 WT1 H ATOM 11962 OH2 TIP3 3245 82.069 8.413 8.431 1.00 0.00 WT1 O ATOM 11963 H1 TIP3 3245 82.033 8.358 9.386 1.00 0.00 WT1 H ATOM 11964 H2 TIP3 3245 82.802 7.849 8.185 1.00 0.00 WT1 H ATOM 11965 OH2 TIP3 3246 41.770 9.508 23.865 1.00 0.00 WT1 O ATOM 11966 H1 TIP3 3246 42.265 10.106 24.424 1.00 0.00 WT1 H ATOM 11967 H2 TIP3 3246 42.290 9.442 23.064 1.00 0.00 WT1 H ATOM 11968 OH2 TIP3 3247 81.337 88.038 -0.088 1.00 0.00 WT1 O ATOM 11969 H1 TIP3 3247 81.044 87.393 -0.732 1.00 0.00 WT1 H ATOM 11970 H2 TIP3 3247 81.384 88.860 -0.576 1.00 0.00 WT1 H ATOM 11971 OH2 TIP3 3249 56.959 1.702 -11.035 1.00 0.00 WT1 O ATOM 11972 H1 TIP3 3249 56.315 0.994 -11.038 1.00 0.00 WT1 H ATOM 11973 H2 TIP3 3249 57.706 1.348 -11.519 1.00 0.00 WT1 H ATOM 11974 OH2 TIP3 3250 66.771 73.795 38.901 1.00 0.00 WT1 O ATOM 11975 H1 TIP3 3250 67.534 74.369 38.826 1.00 0.00 WT1 H ATOM 11976 H2 TIP3 3250 66.904 73.130 38.226 1.00 0.00 WT1 H ATOM 11977 OH2 TIP3 3251 64.088 46.863 66.134 1.00 0.00 WT1 O ATOM 11978 H1 TIP3 3251 64.559 46.100 66.469 1.00 0.00 WT1 H ATOM 11979 H2 TIP3 3251 63.510 47.123 66.851 1.00 0.00 WT1 H ATOM 11980 OH2 TIP3 3252 36.480 3.112 59.858 1.00 0.00 WT1 O ATOM 11981 H1 TIP3 3252 36.172 3.259 60.753 1.00 0.00 WT1 H ATOM 11982 H2 TIP3 3252 36.227 3.904 59.384 1.00 0.00 WT1 H ATOM 11983 OH2 TIP3 3253 23.174 93.202 -7.449 1.00 0.00 WT1 O ATOM 11984 H1 TIP3 3253 23.979 93.549 -7.066 1.00 0.00 WT1 H ATOM 11985 H2 TIP3 3253 22.904 92.506 -6.850 1.00 0.00 WT1 H ATOM 11986 OH2 TIP3 3254 32.884 83.655 64.774 1.00 0.00 WT1 O ATOM 11987 H1 TIP3 3254 32.331 82.966 64.405 1.00 0.00 WT1 H ATOM 11988 H2 TIP3 3254 33.624 83.187 65.160 1.00 0.00 WT1 H ATOM 11989 OH2 TIP3 3255 70.667 7.239 -18.515 1.00 0.00 WT1 O ATOM 11990 H1 TIP3 3255 69.885 6.694 -18.431 1.00 0.00 WT1 H ATOM 11991 H2 TIP3 3255 70.910 7.170 -19.438 1.00 0.00 WT1 H ATOM 11992 OH2 TIP3 3256 25.329 49.420 55.917 1.00 0.00 WT1 O ATOM 11993 H1 TIP3 3256 26.003 49.584 55.257 1.00 0.00 WT1 H ATOM 11994 H2 TIP3 3256 24.888 48.626 55.617 1.00 0.00 WT1 H ATOM 11995 OH2 TIP3 3257 65.222 55.413 54.663 1.00 0.00 WT1 O ATOM 11996 H1 TIP3 3257 64.573 56.091 54.849 1.00 0.00 WT1 H ATOM 11997 H2 TIP3 3257 64.925 55.015 53.845 1.00 0.00 WT1 H ATOM 11998 OH2 TIP3 3258 75.857 53.307 62.586 1.00 0.00 WT1 O ATOM 11999 H1 TIP3 3258 75.855 54.181 62.976 1.00 0.00 WT1 H ATOM 12000 H2 TIP3 3258 75.316 53.393 61.801 1.00 0.00 WT1 H ATOM 12001 OH2 TIP3 3259 62.407 13.185 50.636 1.00 0.00 WT1 O ATOM 12002 H1 TIP3 3259 62.485 12.290 50.966 1.00 0.00 WT1 H ATOM 12003 H2 TIP3 3259 61.609 13.178 50.108 1.00 0.00 WT1 H ATOM 12004 OH2 TIP3 3260 41.476 14.903 44.647 1.00 0.00 WT1 O ATOM 12005 H1 TIP3 3260 41.216 14.014 44.888 1.00 0.00 WT1 H ATOM 12006 H2 TIP3 3260 40.962 15.099 43.864 1.00 0.00 WT1 H ATOM 12007 OH2 TIP3 3262 67.520 95.169 5.800 1.00 0.00 WT1 O ATOM 12008 H1 TIP3 3262 67.330 94.377 6.303 1.00 0.00 WT1 H ATOM 12009 H2 TIP3 3262 67.166 94.991 4.929 1.00 0.00 WT1 H ATOM 12010 OH2 TIP3 3263 42.064 76.778 53.166 1.00 0.00 WT1 O ATOM 12011 H1 TIP3 3263 42.891 76.625 52.710 1.00 0.00 WT1 H ATOM 12012 H2 TIP3 3263 41.402 76.759 52.475 1.00 0.00 WT1 H ATOM 12013 OH2 TIP3 3264 33.443 66.389 19.131 1.00 0.00 WT1 O ATOM 12014 H1 TIP3 3264 33.965 65.779 18.611 1.00 0.00 WT1 H ATOM 12015 H2 TIP3 3264 33.870 67.237 19.007 1.00 0.00 WT1 H ATOM 12016 OH2 TIP3 3265 53.309 67.081 11.598 1.00 0.00 WT1 O ATOM 12017 H1 TIP3 3265 54.185 66.820 11.316 1.00 0.00 WT1 H ATOM 12018 H2 TIP3 3265 53.449 67.873 12.118 1.00 0.00 WT1 H ATOM 12019 OH2 TIP3 3266 85.995 5.999 3.912 1.00 0.00 WT1 O ATOM 12020 H1 TIP3 3266 86.329 6.794 3.497 1.00 0.00 WT1 H ATOM 12021 H2 TIP3 3266 85.053 6.018 3.744 1.00 0.00 WT1 H ATOM 12022 OH2 TIP3 3268 64.812 96.046 8.886 1.00 0.00 WT1 O ATOM 12023 H1 TIP3 3268 64.807 95.281 9.462 1.00 0.00 WT1 H ATOM 12024 H2 TIP3 3268 65.737 96.188 8.684 1.00 0.00 WT1 H ATOM 12025 OH2 TIP3 3269 28.925 90.464 36.430 1.00 0.00 WT1 O ATOM 12026 H1 TIP3 3269 29.012 89.659 36.941 1.00 0.00 WT1 H ATOM 12027 H2 TIP3 3269 29.300 91.145 36.989 1.00 0.00 WT1 H ATOM 12028 OH2 TIP3 3270 39.483 33.106 37.870 1.00 0.00 WT1 O ATOM 12029 H1 TIP3 3270 40.172 33.685 38.195 1.00 0.00 WT1 H ATOM 12030 H2 TIP3 3270 39.116 33.569 37.117 1.00 0.00 WT1 H ATOM 12031 OH2 TIP3 3271 58.040 83.025 5.480 1.00 0.00 WT1 O ATOM 12032 H1 TIP3 3271 57.310 82.406 5.495 1.00 0.00 WT1 H ATOM 12033 H2 TIP3 3271 57.662 83.834 5.136 1.00 0.00 WT1 H ATOM 12034 OH2 TIP3 3274 81.558 19.121 -13.999 1.00 0.00 WT1 O ATOM 12035 H1 TIP3 3274 81.850 20.016 -13.826 1.00 0.00 WT1 H ATOM 12036 H2 TIP3 3274 81.166 18.833 -13.175 1.00 0.00 WT1 H ATOM 12037 OH2 TIP3 3276 71.803 48.983 -14.724 1.00 0.00 WT1 O ATOM 12038 H1 TIP3 3276 71.325 48.154 -14.712 1.00 0.00 WT1 H ATOM 12039 H2 TIP3 3276 72.482 48.878 -14.058 1.00 0.00 WT1 H ATOM 12040 OH2 TIP3 3277 51.454 58.253 64.109 1.00 0.00 WT1 O ATOM 12041 H1 TIP3 3277 50.989 57.526 63.696 1.00 0.00 WT1 H ATOM 12042 H2 TIP3 3277 51.820 58.750 63.378 1.00 0.00 WT1 H ATOM 12043 OH2 TIP3 3278 24.329 85.020 25.875 1.00 0.00 WT1 O ATOM 12044 H1 TIP3 3278 24.878 84.840 25.112 1.00 0.00 WT1 H ATOM 12045 H2 TIP3 3278 24.174 84.161 26.267 1.00 0.00 WT1 H ATOM 12046 OH2 TIP3 3279 47.752 28.072 48.364 1.00 0.00 WT1 O ATOM 12047 H1 TIP3 3279 47.676 28.868 48.890 1.00 0.00 WT1 H ATOM 12048 H2 TIP3 3279 47.514 28.346 47.478 1.00 0.00 WT1 H ATOM 12049 OH2 TIP3 3280 59.804 1.982 10.260 1.00 0.00 WT1 O ATOM 12050 H1 TIP3 3280 59.189 1.249 10.226 1.00 0.00 WT1 H ATOM 12051 H2 TIP3 3280 60.532 1.659 10.792 1.00 0.00 WT1 H ATOM 12052 OH2 TIP3 3281 82.367 90.523 45.446 1.00 0.00 WT1 O ATOM 12053 H1 TIP3 3281 82.930 91.032 44.863 1.00 0.00 WT1 H ATOM 12054 H2 TIP3 3281 81.629 90.258 44.896 1.00 0.00 WT1 H ATOM 12055 OH2 TIP3 3282 21.972 3.464 42.546 1.00 0.00 WT1 O ATOM 12056 H1 TIP3 3282 21.406 3.821 41.861 1.00 0.00 WT1 H ATOM 12057 H2 TIP3 3282 22.455 4.222 42.877 1.00 0.00 WT1 H ATOM 12058 OH2 TIP3 3283 63.178 43.404 12.070 1.00 0.00 WT1 O ATOM 12059 H1 TIP3 3283 62.438 42.986 12.512 1.00 0.00 WT1 H ATOM 12060 H2 TIP3 3283 63.340 44.201 12.575 1.00 0.00 WT1 H ATOM 12061 OH2 TIP3 3284 38.581 17.604 10.314 1.00 0.00 WT1 O ATOM 12062 H1 TIP3 3284 38.052 16.806 10.288 1.00 0.00 WT1 H ATOM 12063 H2 TIP3 3284 39.464 17.313 10.089 1.00 0.00 WT1 H ATOM 12064 OH2 TIP3 3285 31.719 45.236 38.663 1.00 0.00 WT1 O ATOM 12065 H1 TIP3 3285 32.076 44.691 39.365 1.00 0.00 WT1 H ATOM 12066 H2 TIP3 3285 32.360 45.167 37.955 1.00 0.00 WT1 H ATOM 12067 OH2 TIP3 3287 41.799 39.283 48.169 1.00 0.00 WT1 O ATOM 12068 H1 TIP3 3287 41.231 38.759 47.605 1.00 0.00 WT1 H ATOM 12069 H2 TIP3 3287 41.314 39.363 48.990 1.00 0.00 WT1 H ATOM 12070 OH2 TIP3 3289 58.496 65.377 37.782 1.00 0.00 WT1 O ATOM 12071 H1 TIP3 3289 58.622 65.877 36.976 1.00 0.00 WT1 H ATOM 12072 H2 TIP3 3289 57.755 64.801 37.594 1.00 0.00 WT1 H ATOM 12073 OH2 TIP3 3292 86.631 25.936 57.006 1.00 0.00 WT1 O ATOM 12074 H1 TIP3 3292 85.722 25.728 57.223 1.00 0.00 WT1 H ATOM 12075 H2 TIP3 3292 86.591 26.291 56.118 1.00 0.00 WT1 H ATOM 12076 OH2 TIP3 3294 88.981 39.536 10.394 1.00 0.00 WT1 O ATOM 12077 H1 TIP3 3294 89.604 39.551 9.668 1.00 0.00 WT1 H ATOM 12078 H2 TIP3 3294 89.527 39.516 11.180 1.00 0.00 WT1 H ATOM 12079 OH2 TIP3 3295 43.570 83.987 25.723 1.00 0.00 WT1 O ATOM 12080 H1 TIP3 3295 43.724 84.432 26.556 1.00 0.00 WT1 H ATOM 12081 H2 TIP3 3295 42.842 83.391 25.900 1.00 0.00 WT1 H ATOM 12082 OH2 TIP3 3296 56.333 11.654 -2.321 1.00 0.00 WT1 O ATOM 12083 H1 TIP3 3296 56.738 12.102 -1.579 1.00 0.00 WT1 H ATOM 12084 H2 TIP3 3296 56.293 10.735 -2.055 1.00 0.00 WT1 H ATOM 12085 OH2 TIP3 3297 88.771 85.001 -9.397 1.00 0.00 WT1 O ATOM 12086 H1 TIP3 3297 88.927 85.932 -9.554 1.00 0.00 WT1 H ATOM 12087 H2 TIP3 3297 88.500 84.954 -8.480 1.00 0.00 WT1 H ATOM 12088 OH2 TIP3 3298 40.678 55.934 56.371 1.00 0.00 WT1 O ATOM 12089 H1 TIP3 3298 40.681 56.649 55.735 1.00 0.00 WT1 H ATOM 12090 H2 TIP3 3298 39.770 55.883 56.671 1.00 0.00 WT1 H ATOM 12091 OH2 TIP3 3299 45.386 58.936 60.455 1.00 0.00 WT1 O ATOM 12092 H1 TIP3 3299 45.180 58.928 59.520 1.00 0.00 WT1 H ATOM 12093 H2 TIP3 3299 45.525 59.860 60.662 1.00 0.00 WT1 H ATOM 12094 OH2 TIP3 3300 49.086 26.452 52.572 1.00 0.00 WT1 O ATOM 12095 H1 TIP3 3300 48.893 26.253 51.656 1.00 0.00 WT1 H ATOM 12096 H2 TIP3 3300 48.673 25.742 53.064 1.00 0.00 WT1 H ATOM 12097 OH2 TIP3 3301 54.187 52.528 -10.356 1.00 0.00 WT1 O ATOM 12098 H1 TIP3 3301 54.020 53.470 -10.318 1.00 0.00 WT1 H ATOM 12099 H2 TIP3 3301 54.295 52.266 -9.441 1.00 0.00 WT1 H ATOM 12100 OH2 TIP3 3302 22.776 15.240 42.450 1.00 0.00 WT1 O ATOM 12101 H1 TIP3 3302 22.109 15.101 41.778 1.00 0.00 WT1 H ATOM 12102 H2 TIP3 3302 23.443 14.578 42.266 1.00 0.00 WT1 H ATOM 12103 OH2 TIP3 3303 20.998 63.511 -1.321 1.00 0.00 WT1 O ATOM 12104 H1 TIP3 3303 20.218 63.947 -0.977 1.00 0.00 WT1 H ATOM 12105 H2 TIP3 3303 21.166 63.946 -2.157 1.00 0.00 WT1 H ATOM 12106 OH2 TIP3 3304 36.027 8.416 -19.673 1.00 0.00 WT1 O ATOM 12107 H1 TIP3 3304 35.244 7.928 -19.927 1.00 0.00 WT1 H ATOM 12108 H2 TIP3 3304 36.360 7.952 -18.904 1.00 0.00 WT1 H ATOM 12109 OH2 TIP3 3305 78.795 21.132 50.543 1.00 0.00 WT1 O ATOM 12110 H1 TIP3 3305 79.300 21.686 49.948 1.00 0.00 WT1 H ATOM 12111 H2 TIP3 3305 78.124 20.734 49.988 1.00 0.00 WT1 H ATOM 12112 OH2 TIP3 3308 72.324 48.615 -10.516 1.00 0.00 WT1 O ATOM 12113 H1 TIP3 3308 72.997 48.377 -9.878 1.00 0.00 WT1 H ATOM 12114 H2 TIP3 3308 71.748 49.216 -10.044 1.00 0.00 WT1 H ATOM 12115 OH2 TIP3 3309 63.831 6.784 24.328 1.00 0.00 WT1 O ATOM 12116 H1 TIP3 3309 63.103 6.320 24.739 1.00 0.00 WT1 H ATOM 12117 H2 TIP3 3309 63.734 7.690 24.621 1.00 0.00 WT1 H ATOM 12118 OH2 TIP3 3310 83.420 17.077 -14.338 1.00 0.00 WT1 O ATOM 12119 H1 TIP3 3310 83.585 17.184 -13.402 1.00 0.00 WT1 H ATOM 12120 H2 TIP3 3310 82.807 17.780 -14.555 1.00 0.00 WT1 H ATOM 12121 OH2 TIP3 3313 49.294 38.576 40.602 1.00 0.00 WT1 O ATOM 12122 H1 TIP3 3313 48.552 38.868 41.132 1.00 0.00 WT1 H ATOM 12123 H2 TIP3 3313 48.912 38.370 39.749 1.00 0.00 WT1 H ATOM 12124 OH2 TIP3 3316 21.379 16.574 -10.547 1.00 0.00 WT1 O ATOM 12125 H1 TIP3 3316 22.066 17.065 -10.998 1.00 0.00 WT1 H ATOM 12126 H2 TIP3 3316 21.824 16.165 -9.805 1.00 0.00 WT1 H ATOM 12127 OH2 TIP3 3317 29.902 15.536 64.623 1.00 0.00 WT1 O ATOM 12128 H1 TIP3 3317 29.931 16.030 65.442 1.00 0.00 WT1 H ATOM 12129 H2 TIP3 3317 30.348 16.096 63.988 1.00 0.00 WT1 H ATOM 12130 OH2 TIP3 3319 51.798 33.014 2.574 1.00 0.00 WT1 O ATOM 12131 H1 TIP3 3319 50.842 32.976 2.558 1.00 0.00 WT1 H ATOM 12132 H2 TIP3 3319 52.013 33.251 3.476 1.00 0.00 WT1 H ATOM 12133 OH2 TIP3 3320 39.827 25.399 53.377 1.00 0.00 WT1 O ATOM 12134 H1 TIP3 3320 40.420 26.033 53.781 1.00 0.00 WT1 H ATOM 12135 H2 TIP3 3320 40.186 25.259 52.501 1.00 0.00 WT1 H ATOM 12136 OH2 TIP3 3321 42.443 32.346 -11.792 1.00 0.00 WT1 O ATOM 12137 H1 TIP3 3321 41.964 32.172 -10.981 1.00 0.00 WT1 H ATOM 12138 H2 TIP3 3321 43.301 31.944 -11.654 1.00 0.00 WT1 H ATOM 12139 OH2 TIP3 3322 64.166 77.575 44.516 1.00 0.00 WT1 O ATOM 12140 H1 TIP3 3322 64.591 77.142 43.775 1.00 0.00 WT1 H ATOM 12141 H2 TIP3 3322 64.878 77.753 45.130 1.00 0.00 WT1 H ATOM 12142 OH2 TIP3 3323 25.425 49.920 -11.578 1.00 0.00 WT1 O ATOM 12143 H1 TIP3 3323 25.870 50.569 -12.123 1.00 0.00 WT1 H ATOM 12144 H2 TIP3 3323 24.547 50.277 -11.449 1.00 0.00 WT1 H ATOM 12145 OH2 TIP3 3324 36.312 6.886 -17.393 1.00 0.00 WT1 O ATOM 12146 H1 TIP3 3324 35.648 7.353 -16.886 1.00 0.00 WT1 H ATOM 12147 H2 TIP3 3324 36.997 6.679 -16.758 1.00 0.00 WT1 H ATOM 12148 OH2 TIP3 3325 32.746 14.837 66.032 1.00 0.00 WT1 O ATOM 12149 H1 TIP3 3325 33.329 14.853 66.791 1.00 0.00 WT1 H ATOM 12150 H2 TIP3 3325 33.164 15.418 65.396 1.00 0.00 WT1 H ATOM 12151 OH2 TIP3 3326 52.486 35.560 5.975 1.00 0.00 WT1 O ATOM 12152 H1 TIP3 3326 53.013 35.680 5.185 1.00 0.00 WT1 H ATOM 12153 H2 TIP3 3326 52.975 36.015 6.660 1.00 0.00 WT1 H ATOM 12154 OH2 TIP3 3327 61.284 15.854 -6.895 1.00 0.00 WT1 O ATOM 12155 H1 TIP3 3327 61.683 16.719 -6.802 1.00 0.00 WT1 H ATOM 12156 H2 TIP3 3327 60.396 15.961 -6.554 1.00 0.00 WT1 H ATOM 12157 OH2 TIP3 3329 52.107 38.966 7.052 1.00 0.00 WT1 O ATOM 12158 H1 TIP3 3329 51.659 38.865 6.212 1.00 0.00 WT1 H ATOM 12159 H2 TIP3 3329 51.400 39.052 7.692 1.00 0.00 WT1 H ATOM 12160 OH2 TIP3 3332 65.038 88.406 -7.104 1.00 0.00 WT1 O ATOM 12161 H1 TIP3 3332 65.062 88.768 -7.990 1.00 0.00 WT1 H ATOM 12162 H2 TIP3 3332 65.018 89.172 -6.531 1.00 0.00 WT1 H ATOM 12163 OH2 TIP3 3334 51.511 38.520 24.199 1.00 0.00 WT1 O ATOM 12164 H1 TIP3 3334 50.727 39.051 24.054 1.00 0.00 WT1 H ATOM 12165 H2 TIP3 3334 51.855 38.355 23.321 1.00 0.00 WT1 H ATOM 12166 OH2 TIP3 3336 65.265 3.033 32.963 1.00 0.00 WT1 O ATOM 12167 H1 TIP3 3336 64.713 3.798 33.123 1.00 0.00 WT1 H ATOM 12168 H2 TIP3 3336 65.632 2.818 33.820 1.00 0.00 WT1 H ATOM 12169 OH2 TIP3 3337 85.155 55.756 9.090 1.00 0.00 WT1 O ATOM 12170 H1 TIP3 3337 84.714 54.917 9.222 1.00 0.00 WT1 H ATOM 12171 H2 TIP3 3337 85.456 55.729 8.182 1.00 0.00 WT1 H ATOM 12172 OH2 TIP3 3338 45.678 51.131 -2.729 1.00 0.00 WT1 O ATOM 12173 H1 TIP3 3338 44.800 50.748 -2.711 1.00 0.00 WT1 H ATOM 12174 H2 TIP3 3338 45.746 51.531 -3.596 1.00 0.00 WT1 H ATOM 12175 OH2 TIP3 3339 69.012 48.943 19.336 1.00 0.00 WT1 O ATOM 12176 H1 TIP3 3339 68.476 49.004 18.546 1.00 0.00 WT1 H ATOM 12177 H2 TIP3 3339 68.459 49.300 20.030 1.00 0.00 WT1 H ATOM 12178 OH2 TIP3 3341 35.794 31.022 51.617 1.00 0.00 WT1 O ATOM 12179 H1 TIP3 3341 36.264 30.833 52.429 1.00 0.00 WT1 H ATOM 12180 H2 TIP3 3341 34.899 30.728 51.783 1.00 0.00 WT1 H ATOM 12181 OH2 TIP3 3342 88.529 30.624 30.521 1.00 0.00 WT1 O ATOM 12182 H1 TIP3 3342 88.242 29.880 29.992 1.00 0.00 WT1 H ATOM 12183 H2 TIP3 3342 88.575 31.354 29.903 1.00 0.00 WT1 H ATOM 12184 OH2 TIP3 3343 79.752 60.705 28.456 1.00 0.00 WT1 O ATOM 12185 H1 TIP3 3343 78.818 60.893 28.363 1.00 0.00 WT1 H ATOM 12186 H2 TIP3 3343 80.091 61.428 28.983 1.00 0.00 WT1 H ATOM 12187 OH2 TIP3 3344 84.266 10.218 -16.323 1.00 0.00 WT1 O ATOM 12188 H1 TIP3 3344 83.312 10.289 -16.367 1.00 0.00 WT1 H ATOM 12189 H2 TIP3 3344 84.584 10.844 -16.973 1.00 0.00 WT1 H ATOM 12190 OH2 TIP3 3345 43.493 88.855 -10.553 1.00 0.00 WT1 O ATOM 12191 H1 TIP3 3345 43.037 88.018 -10.639 1.00 0.00 WT1 H ATOM 12192 H2 TIP3 3345 44.073 88.735 -9.801 1.00 0.00 WT1 H ATOM 12193 OH2 TIP3 3347 78.933 20.180 -10.222 1.00 0.00 WT1 O ATOM 12194 H1 TIP3 3347 78.891 19.579 -9.478 1.00 0.00 WT1 H ATOM 12195 H2 TIP3 3347 79.437 20.927 -9.898 1.00 0.00 WT1 H ATOM 12196 OH2 TIP3 3348 75.253 83.903 14.039 1.00 0.00 WT1 O ATOM 12197 H1 TIP3 3348 75.983 83.460 13.606 1.00 0.00 WT1 H ATOM 12198 H2 TIP3 3348 74.983 84.581 13.420 1.00 0.00 WT1 H ATOM 12199 OH2 TIP3 3349 29.978 6.508 17.769 1.00 0.00 WT1 O ATOM 12200 H1 TIP3 3349 30.362 5.648 17.941 1.00 0.00 WT1 H ATOM 12201 H2 TIP3 3349 30.695 7.124 17.915 1.00 0.00 WT1 H ATOM 12202 OH2 TIP3 3350 20.761 40.846 58.741 1.00 0.00 WT1 O ATOM 12203 H1 TIP3 3350 21.174 41.560 58.255 1.00 0.00 WT1 H ATOM 12204 H2 TIP3 3350 21.470 40.471 59.264 1.00 0.00 WT1 H ATOM 12205 OH2 TIP3 3355 52.205 25.034 6.059 1.00 0.00 WT1 O ATOM 12206 H1 TIP3 3355 52.794 25.787 6.099 1.00 0.00 WT1 H ATOM 12207 H2 TIP3 3355 52.283 24.623 6.920 1.00 0.00 WT1 H ATOM 12208 OH2 TIP3 3356 51.072 31.199 16.727 1.00 0.00 WT1 O ATOM 12209 H1 TIP3 3356 51.066 32.020 17.220 1.00 0.00 WT1 H ATOM 12210 H2 TIP3 3356 50.292 30.733 17.028 1.00 0.00 WT1 H ATOM 12211 OH2 TIP3 3358 41.373 47.698 34.708 1.00 0.00 WT1 O ATOM 12212 H1 TIP3 3358 42.228 48.108 34.575 1.00 0.00 WT1 H ATOM 12213 H2 TIP3 3358 40.881 48.332 35.228 1.00 0.00 WT1 H ATOM 12214 OH2 TIP3 3359 70.164 44.745 45.834 1.00 0.00 WT1 O ATOM 12215 H1 TIP3 3359 70.738 44.135 45.370 1.00 0.00 WT1 H ATOM 12216 H2 TIP3 3359 70.143 45.524 45.278 1.00 0.00 WT1 H ATOM 12217 OH2 TIP3 3360 69.668 5.608 4.220 1.00 0.00 WT1 O ATOM 12218 H1 TIP3 3360 68.875 6.139 4.141 1.00 0.00 WT1 H ATOM 12219 H2 TIP3 3360 70.338 6.106 3.752 1.00 0.00 WT1 H ATOM 12220 OH2 TIP3 3361 34.531 18.178 -4.398 1.00 0.00 WT1 O ATOM 12221 H1 TIP3 3361 34.860 18.783 -5.062 1.00 0.00 WT1 H ATOM 12222 H2 TIP3 3361 34.576 17.317 -4.814 1.00 0.00 WT1 H ATOM 12223 OH2 TIP3 3362 40.445 50.359 55.967 1.00 0.00 WT1 O ATOM 12224 H1 TIP3 3362 40.608 51.180 56.431 1.00 0.00 WT1 H ATOM 12225 H2 TIP3 3362 41.046 50.380 55.222 1.00 0.00 WT1 H ATOM 12226 OH2 TIP3 3363 50.655 48.250 33.279 1.00 0.00 WT1 O ATOM 12227 H1 TIP3 3363 50.894 48.759 32.505 1.00 0.00 WT1 H ATOM 12228 H2 TIP3 3363 50.093 48.835 33.787 1.00 0.00 WT1 H ATOM 12229 OH2 TIP3 3364 39.675 42.098 54.625 1.00 0.00 WT1 O ATOM 12230 H1 TIP3 3364 40.450 42.491 54.222 1.00 0.00 WT1 H ATOM 12231 H2 TIP3 3364 39.027 42.803 54.635 1.00 0.00 WT1 H ATOM 12232 OH2 TIP3 3365 82.328 44.691 39.380 1.00 0.00 WT1 O ATOM 12233 H1 TIP3 3365 82.645 44.861 40.267 1.00 0.00 WT1 H ATOM 12234 H2 TIP3 3365 82.107 43.760 39.379 1.00 0.00 WT1 H ATOM 12235 OH2 TIP3 3366 62.501 69.477 33.692 1.00 0.00 WT1 O ATOM 12236 H1 TIP3 3366 62.349 68.697 33.158 1.00 0.00 WT1 H ATOM 12237 H2 TIP3 3366 61.670 69.951 33.665 1.00 0.00 WT1 H ATOM 12238 OH2 TIP3 3367 67.851 77.528 -9.706 1.00 0.00 WT1 O ATOM 12239 H1 TIP3 3367 67.627 77.723 -10.616 1.00 0.00 WT1 H ATOM 12240 H2 TIP3 3367 68.765 77.244 -9.740 1.00 0.00 WT1 H ATOM 12241 OH2 TIP3 3368 26.511 42.018 62.308 1.00 0.00 WT1 O ATOM 12242 H1 TIP3 3368 27.274 42.466 61.943 1.00 0.00 WT1 H ATOM 12243 H2 TIP3 3368 26.547 42.207 63.246 1.00 0.00 WT1 H ATOM 12244 OH2 TIP3 3370 86.180 96.104 31.810 1.00 0.00 WT1 O ATOM 12245 H1 TIP3 3370 86.096 95.159 31.683 1.00 0.00 WT1 H ATOM 12246 H2 TIP3 3370 87.111 96.282 31.677 1.00 0.00 WT1 H ATOM 12247 OH2 TIP3 3371 42.668 36.865 5.375 1.00 0.00 WT1 O ATOM 12248 H1 TIP3 3371 42.481 37.686 5.829 1.00 0.00 WT1 H ATOM 12249 H2 TIP3 3371 43.536 36.611 5.687 1.00 0.00 WT1 H ATOM 12250 OH2 TIP3 3373 32.642 91.718 -0.086 1.00 0.00 WT1 O ATOM 12251 H1 TIP3 3373 32.722 91.158 0.686 1.00 0.00 WT1 H ATOM 12252 H2 TIP3 3373 31.874 91.383 -0.548 1.00 0.00 WT1 H ATOM 12253 OH2 TIP3 3377 85.283 62.645 58.858 1.00 0.00 WT1 O ATOM 12254 H1 TIP3 3377 85.170 62.617 59.808 1.00 0.00 WT1 H ATOM 12255 H2 TIP3 3377 84.410 62.470 58.507 1.00 0.00 WT1 H ATOM 12256 OH2 TIP3 3379 90.159 11.113 -10.125 1.00 0.00 WT1 O ATOM 12257 H1 TIP3 3379 89.639 11.911 -10.028 1.00 0.00 WT1 H ATOM 12258 H2 TIP3 3379 89.523 10.402 -10.042 1.00 0.00 WT1 H ATOM 12259 OH2 TIP3 3380 56.444 41.983 34.651 1.00 0.00 WT1 O ATOM 12260 H1 TIP3 3380 56.247 42.910 34.514 1.00 0.00 WT1 H ATOM 12261 H2 TIP3 3380 55.743 41.670 35.222 1.00 0.00 WT1 H ATOM 12262 OH2 TIP3 3381 26.010 34.816 46.335 1.00 0.00 WT1 O ATOM 12263 H1 TIP3 3381 26.141 35.444 45.625 1.00 0.00 WT1 H ATOM 12264 H2 TIP3 3381 26.754 34.218 46.267 1.00 0.00 WT1 H ATOM 12265 OH2 TIP3 3382 53.616 40.417 58.061 1.00 0.00 WT1 O ATOM 12266 H1 TIP3 3382 54.331 40.913 57.661 1.00 0.00 WT1 H ATOM 12267 H2 TIP3 3382 54.054 39.749 58.590 1.00 0.00 WT1 H ATOM 12268 OH2 TIP3 3383 35.246 11.056 64.171 1.00 0.00 WT1 O ATOM 12269 H1 TIP3 3383 34.419 10.611 64.360 1.00 0.00 WT1 H ATOM 12270 H2 TIP3 3383 35.901 10.358 64.182 1.00 0.00 WT1 H ATOM 12271 OH2 TIP3 3384 83.274 93.109 37.326 1.00 0.00 WT1 O ATOM 12272 H1 TIP3 3384 84.026 93.678 37.164 1.00 0.00 WT1 H ATOM 12273 H2 TIP3 3384 82.527 93.593 36.976 1.00 0.00 WT1 H ATOM 12274 OH2 TIP3 3385 75.007 30.801 37.287 1.00 0.00 WT1 O ATOM 12275 H1 TIP3 3385 74.098 30.932 37.559 1.00 0.00 WT1 H ATOM 12276 H2 TIP3 3385 75.492 31.499 37.728 1.00 0.00 WT1 H ATOM 12277 OH2 TIP3 3386 46.102 72.293 5.760 1.00 0.00 WT1 O ATOM 12278 H1 TIP3 3386 46.778 71.825 5.271 1.00 0.00 WT1 H ATOM 12279 H2 TIP3 3386 45.999 71.792 6.569 1.00 0.00 WT1 H ATOM 12280 OH2 TIP3 3387 71.381 54.901 -5.227 1.00 0.00 WT1 O ATOM 12281 H1 TIP3 3387 72.013 54.324 -5.657 1.00 0.00 WT1 H ATOM 12282 H2 TIP3 3387 71.301 54.550 -4.340 1.00 0.00 WT1 H ATOM 12283 OH2 TIP3 3388 76.872 65.890 35.761 1.00 0.00 WT1 O ATOM 12284 H1 TIP3 3388 76.105 66.174 36.258 1.00 0.00 WT1 H ATOM 12285 H2 TIP3 3388 76.512 65.378 35.037 1.00 0.00 WT1 H ATOM 12286 OH2 TIP3 3389 43.416 32.523 50.953 1.00 0.00 WT1 O ATOM 12287 H1 TIP3 3389 42.720 32.824 50.368 1.00 0.00 WT1 H ATOM 12288 H2 TIP3 3389 44.114 33.171 50.848 1.00 0.00 WT1 H ATOM 12289 OH2 TIP3 3390 66.864 14.998 33.014 1.00 0.00 WT1 O ATOM 12290 H1 TIP3 3390 66.738 15.236 32.096 1.00 0.00 WT1 H ATOM 12291 H2 TIP3 3390 67.673 15.443 33.269 1.00 0.00 WT1 H ATOM 12292 OH2 TIP3 3393 43.475 90.805 1.487 1.00 0.00 WT1 O ATOM 12293 H1 TIP3 3393 44.163 91.332 1.892 1.00 0.00 WT1 H ATOM 12294 H2 TIP3 3393 43.246 90.157 2.153 1.00 0.00 WT1 H ATOM 12295 OH2 TIP3 3398 30.466 53.227 50.907 1.00 0.00 WT1 O ATOM 12296 H1 TIP3 3398 29.600 52.833 51.018 1.00 0.00 WT1 H ATOM 12297 H2 TIP3 3398 30.409 54.063 51.370 1.00 0.00 WT1 H ATOM 12298 OH2 TIP3 3401 40.618 37.016 36.803 1.00 0.00 WT1 O ATOM 12299 H1 TIP3 3401 40.141 37.833 36.945 1.00 0.00 WT1 H ATOM 12300 H2 TIP3 3401 41.356 37.262 36.246 1.00 0.00 WT1 H ATOM 12301 OH2 TIP3 3402 74.010 16.857 54.381 1.00 0.00 WT1 O ATOM 12302 H1 TIP3 3402 73.501 16.164 54.802 1.00 0.00 WT1 H ATOM 12303 H2 TIP3 3402 73.358 17.507 54.118 1.00 0.00 WT1 H ATOM 12304 OH2 TIP3 3404 49.016 68.545 2.340 1.00 0.00 WT1 O ATOM 12305 H1 TIP3 3404 49.006 67.589 2.402 1.00 0.00 WT1 H ATOM 12306 H2 TIP3 3404 49.255 68.839 3.219 1.00 0.00 WT1 H ATOM 12307 OH2 TIP3 3405 66.577 19.537 47.608 1.00 0.00 WT1 O ATOM 12308 H1 TIP3 3405 65.957 19.581 48.336 1.00 0.00 WT1 H ATOM 12309 H2 TIP3 3405 66.061 19.777 46.838 1.00 0.00 WT1 H ATOM 12310 OH2 TIP3 3406 48.118 15.998 57.401 1.00 0.00 WT1 O ATOM 12311 H1 TIP3 3406 48.638 15.196 57.358 1.00 0.00 WT1 H ATOM 12312 H2 TIP3 3406 47.288 15.726 57.792 1.00 0.00 WT1 H ATOM 12313 OH2 TIP3 3407 85.210 86.643 -10.404 1.00 0.00 WT1 O ATOM 12314 H1 TIP3 3407 84.918 87.512 -10.128 1.00 0.00 WT1 H ATOM 12315 H2 TIP3 3407 85.105 86.097 -9.625 1.00 0.00 WT1 H ATOM 12316 OH2 TIP3 3408 64.302 23.234 15.464 1.00 0.00 WT1 O ATOM 12317 H1 TIP3 3408 64.540 23.998 15.990 1.00 0.00 WT1 H ATOM 12318 H2 TIP3 3408 63.483 23.483 15.036 1.00 0.00 WT1 H ATOM 12319 OH2 TIP3 3409 45.450 95.466 -1.225 1.00 0.00 WT1 O ATOM 12320 H1 TIP3 3409 45.210 94.878 -1.942 1.00 0.00 WT1 H ATOM 12321 H2 TIP3 3409 45.082 95.053 -0.444 1.00 0.00 WT1 H ATOM 12322 OH2 TIP3 3410 40.416 69.821 33.690 1.00 0.00 WT1 O ATOM 12323 H1 TIP3 3410 40.389 70.676 34.120 1.00 0.00 WT1 H ATOM 12324 H2 TIP3 3410 41.322 69.531 33.790 1.00 0.00 WT1 H ATOM 12325 OH2 TIP3 3411 38.758 33.884 -19.066 1.00 0.00 WT1 O ATOM 12326 H1 TIP3 3411 39.347 33.682 -19.793 1.00 0.00 WT1 H ATOM 12327 H2 TIP3 3411 38.750 34.840 -19.021 1.00 0.00 WT1 H ATOM 12328 OH2 TIP3 3412 41.698 47.776 39.194 1.00 0.00 WT1 O ATOM 12329 H1 TIP3 3412 41.176 47.858 39.992 1.00 0.00 WT1 H ATOM 12330 H2 TIP3 3412 41.767 48.671 38.860 1.00 0.00 WT1 H ATOM 12331 OH2 TIP3 3420 33.690 49.599 41.927 1.00 0.00 WT1 O ATOM 12332 H1 TIP3 3420 32.842 49.325 42.277 1.00 0.00 WT1 H ATOM 12333 H2 TIP3 3420 34.008 50.251 42.552 1.00 0.00 WT1 H ATOM 12334 OH2 TIP3 3421 50.974 53.032 23.209 1.00 0.00 WT1 O ATOM 12335 H1 TIP3 3421 51.466 53.655 23.744 1.00 0.00 WT1 H ATOM 12336 H2 TIP3 3421 51.541 52.863 22.456 1.00 0.00 WT1 H ATOM 12337 OH2 TIP3 3422 32.883 23.580 10.407 1.00 0.00 WT1 O ATOM 12338 H1 TIP3 3422 33.526 24.284 10.323 1.00 0.00 WT1 H ATOM 12339 H2 TIP3 3422 33.406 22.796 10.576 1.00 0.00 WT1 H ATOM 12340 OH2 TIP3 3423 40.973 1.663 37.459 1.00 0.00 WT1 O ATOM 12341 H1 TIP3 3423 41.548 0.942 37.717 1.00 0.00 WT1 H ATOM 12342 H2 TIP3 3423 40.322 1.713 38.159 1.00 0.00 WT1 H ATOM 12343 OH2 TIP3 3424 24.409 62.520 54.473 1.00 0.00 WT1 O ATOM 12344 H1 TIP3 3424 24.823 63.040 53.784 1.00 0.00 WT1 H ATOM 12345 H2 TIP3 3424 25.116 61.977 54.822 1.00 0.00 WT1 H ATOM 12346 OH2 TIP3 3425 21.575 56.107 33.492 1.00 0.00 WT1 O ATOM 12347 H1 TIP3 3425 20.984 55.387 33.712 1.00 0.00 WT1 H ATOM 12348 H2 TIP3 3425 22.393 55.678 33.243 1.00 0.00 WT1 H ATOM 12349 OH2 TIP3 3426 38.099 71.377 7.470 1.00 0.00 WT1 O ATOM 12350 H1 TIP3 3426 37.148 71.468 7.522 1.00 0.00 WT1 H ATOM 12351 H2 TIP3 3426 38.420 71.722 8.304 1.00 0.00 WT1 H ATOM 12352 OH2 TIP3 3427 89.925 1.688 -4.689 1.00 0.00 WT1 O ATOM 12353 H1 TIP3 3427 89.104 1.202 -4.773 1.00 0.00 WT1 H ATOM 12354 H2 TIP3 3427 90.025 2.137 -5.529 1.00 0.00 WT1 H ATOM 12355 OH2 TIP3 3428 67.175 4.874 63.565 1.00 0.00 WT1 O ATOM 12356 H1 TIP3 3428 67.750 5.180 64.266 1.00 0.00 WT1 H ATOM 12357 H2 TIP3 3428 67.716 4.270 63.057 1.00 0.00 WT1 H ATOM 12358 OH2 TIP3 3429 55.115 37.140 41.930 1.00 0.00 WT1 O ATOM 12359 H1 TIP3 3429 54.579 37.548 42.610 1.00 0.00 WT1 H ATOM 12360 H2 TIP3 3429 56.014 37.374 42.162 1.00 0.00 WT1 H ATOM 12361 OH2 TIP3 3430 89.078 84.076 14.937 1.00 0.00 WT1 O ATOM 12362 H1 TIP3 3430 89.354 83.466 14.253 1.00 0.00 WT1 H ATOM 12363 H2 TIP3 3430 89.896 84.396 15.318 1.00 0.00 WT1 H ATOM 12364 OH2 TIP3 3431 27.983 38.878 30.121 1.00 0.00 WT1 O ATOM 12365 H1 TIP3 3431 28.287 39.735 30.418 1.00 0.00 WT1 H ATOM 12366 H2 TIP3 3431 28.777 38.345 30.071 1.00 0.00 WT1 H ATOM 12367 OH2 TIP3 3432 64.744 47.901 -16.116 1.00 0.00 WT1 O ATOM 12368 H1 TIP3 3432 65.304 47.597 -15.402 1.00 0.00 WT1 H ATOM 12369 H2 TIP3 3432 63.978 48.273 -15.679 1.00 0.00 WT1 H ATOM 12370 OH2 TIP3 3433 61.958 63.337 35.850 1.00 0.00 WT1 O ATOM 12371 H1 TIP3 3433 62.035 63.405 34.898 1.00 0.00 WT1 H ATOM 12372 H2 TIP3 3433 61.026 63.187 36.005 1.00 0.00 WT1 H ATOM 12373 OH2 TIP3 3434 69.070 76.105 53.634 1.00 0.00 WT1 O ATOM 12374 H1 TIP3 3434 69.583 75.988 52.835 1.00 0.00 WT1 H ATOM 12375 H2 TIP3 3434 68.704 75.239 53.813 1.00 0.00 WT1 H ATOM 12376 OH2 TIP3 3436 31.946 68.947 6.168 1.00 0.00 WT1 O ATOM 12377 H1 TIP3 3436 31.773 68.570 5.306 1.00 0.00 WT1 H ATOM 12378 H2 TIP3 3436 31.135 68.812 6.657 1.00 0.00 WT1 H ATOM 12379 OH2 TIP3 3437 21.551 88.994 32.163 1.00 0.00 WT1 O ATOM 12380 H1 TIP3 3437 21.106 89.558 31.530 1.00 0.00 WT1 H ATOM 12381 H2 TIP3 3437 22.449 88.929 31.837 1.00 0.00 WT1 H ATOM 12382 OH2 TIP3 3438 50.439 20.623 0.734 1.00 0.00 WT1 O ATOM 12383 H1 TIP3 3438 51.190 21.054 1.141 1.00 0.00 WT1 H ATOM 12384 H2 TIP3 3438 49.951 21.334 0.317 1.00 0.00 WT1 H ATOM 12385 OH2 TIP3 3439 78.476 69.254 1.635 1.00 0.00 WT1 O ATOM 12386 H1 TIP3 3439 77.780 68.981 2.232 1.00 0.00 WT1 H ATOM 12387 H2 TIP3 3439 78.427 68.632 0.909 1.00 0.00 WT1 H ATOM 12388 OH2 TIP3 3440 66.664 34.120 31.364 1.00 0.00 WT1 O ATOM 12389 H1 TIP3 3440 66.201 33.858 30.569 1.00 0.00 WT1 H ATOM 12390 H2 TIP3 3440 66.709 35.075 31.313 1.00 0.00 WT1 H ATOM 12391 OH2 TIP3 3441 64.038 1.934 -1.080 1.00 0.00 WT1 O ATOM 12392 H1 TIP3 3441 64.626 2.359 -0.456 1.00 0.00 WT1 H ATOM 12393 H2 TIP3 3441 63.972 2.553 -1.807 1.00 0.00 WT1 H ATOM 12394 OH2 TIP3 3442 22.794 3.738 60.903 1.00 0.00 WT1 O ATOM 12395 H1 TIP3 3442 23.158 2.853 60.875 1.00 0.00 WT1 H ATOM 12396 H2 TIP3 3442 23.516 4.303 60.628 1.00 0.00 WT1 H ATOM 12397 OH2 TIP3 3444 35.676 35.139 6.604 1.00 0.00 WT1 O ATOM 12398 H1 TIP3 3444 36.223 34.356 6.662 1.00 0.00 WT1 H ATOM 12399 H2 TIP3 3444 35.656 35.485 7.497 1.00 0.00 WT1 H ATOM 12400 OH2 TIP3 3445 23.386 65.706 -16.321 1.00 0.00 WT1 O ATOM 12401 H1 TIP3 3445 22.990 65.153 -16.995 1.00 0.00 WT1 H ATOM 12402 H2 TIP3 3445 22.998 66.570 -16.461 1.00 0.00 WT1 H ATOM 12403 OH2 TIP3 3446 40.522 28.182 46.689 1.00 0.00 WT1 O ATOM 12404 H1 TIP3 3446 40.048 28.619 45.982 1.00 0.00 WT1 H ATOM 12405 H2 TIP3 3446 41.224 27.704 46.247 1.00 0.00 WT1 H ATOM 12406 OH2 TIP3 3447 31.143 14.759 -9.890 1.00 0.00 WT1 O ATOM 12407 H1 TIP3 3447 30.281 14.352 -9.978 1.00 0.00 WT1 H ATOM 12408 H2 TIP3 3447 30.958 15.689 -9.759 1.00 0.00 WT1 H ATOM 12409 OH2 TIP3 3448 76.462 68.482 12.657 1.00 0.00 WT1 O ATOM 12410 H1 TIP3 3448 75.592 68.878 12.711 1.00 0.00 WT1 H ATOM 12411 H2 TIP3 3448 76.435 67.952 11.860 1.00 0.00 WT1 H ATOM 12412 OH2 TIP3 3449 37.350 77.141 19.643 1.00 0.00 WT1 O ATOM 12413 H1 TIP3 3449 36.450 77.384 19.861 1.00 0.00 WT1 H ATOM 12414 H2 TIP3 3449 37.461 76.268 20.021 1.00 0.00 WT1 H ATOM 12415 OH2 TIP3 3450 49.799 64.554 -5.904 1.00 0.00 WT1 O ATOM 12416 H1 TIP3 3450 49.177 64.175 -5.283 1.00 0.00 WT1 H ATOM 12417 H2 TIP3 3450 49.668 65.500 -5.829 1.00 0.00 WT1 H ATOM 12418 OH2 TIP3 3451 32.060 54.916 -7.704 1.00 0.00 WT1 O ATOM 12419 H1 TIP3 3451 31.630 55.224 -6.906 1.00 0.00 WT1 H ATOM 12420 H2 TIP3 3451 31.476 54.239 -8.046 1.00 0.00 WT1 H ATOM 12421 OH2 TIP3 3452 53.104 49.465 1.177 1.00 0.00 WT1 O ATOM 12422 H1 TIP3 3452 54.045 49.479 1.000 1.00 0.00 WT1 H ATOM 12423 H2 TIP3 3452 53.000 50.002 1.962 1.00 0.00 WT1 H ATOM 12424 OH2 TIP3 3456 52.545 75.826 44.549 1.00 0.00 WT1 O ATOM 12425 H1 TIP3 3456 51.665 75.628 44.228 1.00 0.00 WT1 H ATOM 12426 H2 TIP3 3456 52.615 75.340 45.371 1.00 0.00 WT1 H ATOM 12427 OH2 TIP3 3459 86.955 26.697 49.263 1.00 0.00 WT1 O ATOM 12428 H1 TIP3 3459 87.862 26.561 48.990 1.00 0.00 WT1 H ATOM 12429 H2 TIP3 3459 86.820 26.068 49.971 1.00 0.00 WT1 H ATOM 12430 OH2 TIP3 3460 63.567 66.736 24.440 1.00 0.00 WT1 O ATOM 12431 H1 TIP3 3460 62.868 67.001 23.841 1.00 0.00 WT1 H ATOM 12432 H2 TIP3 3460 63.252 65.921 24.831 1.00 0.00 WT1 H ATOM 12433 OH2 TIP3 3461 34.703 43.422 -3.310 1.00 0.00 WT1 O ATOM 12434 H1 TIP3 3461 33.762 43.558 -3.426 1.00 0.00 WT1 H ATOM 12435 H2 TIP3 3461 34.996 43.053 -4.144 1.00 0.00 WT1 H ATOM 12436 OH2 TIP3 3462 60.816 13.109 17.018 1.00 0.00 WT1 O ATOM 12437 H1 TIP3 3462 59.908 13.053 17.316 1.00 0.00 WT1 H ATOM 12438 H2 TIP3 3462 60.788 12.826 16.104 1.00 0.00 WT1 H ATOM 12439 OH2 TIP3 3465 51.112 40.089 66.131 1.00 0.00 WT1 O ATOM 12440 H1 TIP3 3465 50.538 40.758 65.758 1.00 0.00 WT1 H ATOM 12441 H2 TIP3 3465 50.777 39.953 67.017 1.00 0.00 WT1 H ATOM 12442 OH2 TIP3 3466 34.659 87.243 48.946 1.00 0.00 WT1 O ATOM 12443 H1 TIP3 3466 34.153 87.716 49.606 1.00 0.00 WT1 H ATOM 12444 H2 TIP3 3466 33.999 86.817 48.398 1.00 0.00 WT1 H ATOM 12445 OH2 TIP3 3467 42.721 18.759 -15.967 1.00 0.00 WT1 O ATOM 12446 H1 TIP3 3467 43.579 19.170 -15.862 1.00 0.00 WT1 H ATOM 12447 H2 TIP3 3467 42.879 17.829 -15.803 1.00 0.00 WT1 H ATOM 12448 OH2 TIP3 3468 85.864 80.654 -14.231 1.00 0.00 WT1 O ATOM 12449 H1 TIP3 3468 86.365 81.401 -13.906 1.00 0.00 WT1 H ATOM 12450 H2 TIP3 3468 86.341 79.888 -13.912 1.00 0.00 WT1 H ATOM 12451 OH2 TIP3 3469 56.109 60.714 66.900 1.00 0.00 WT1 O ATOM 12452 H1 TIP3 3469 55.634 59.887 66.974 1.00 0.00 WT1 H ATOM 12453 H2 TIP3 3469 55.804 61.094 66.076 1.00 0.00 WT1 H ATOM 12454 OH2 TIP3 3470 43.978 44.885 54.119 1.00 0.00 WT1 O ATOM 12455 H1 TIP3 3470 44.435 45.046 53.294 1.00 0.00 WT1 H ATOM 12456 H2 TIP3 3470 43.876 45.752 54.511 1.00 0.00 WT1 H ATOM 12457 OH2 TIP3 3471 42.524 65.090 -12.737 1.00 0.00 WT1 O ATOM 12458 H1 TIP3 3471 42.480 64.919 -13.678 1.00 0.00 WT1 H ATOM 12459 H2 TIP3 3471 43.071 65.872 -12.661 1.00 0.00 WT1 H ATOM 12460 OH2 TIP3 3472 69.053 34.097 -11.793 1.00 0.00 WT1 O ATOM 12461 H1 TIP3 3472 68.239 34.128 -11.290 1.00 0.00 WT1 H ATOM 12462 H2 TIP3 3472 69.519 33.334 -11.450 1.00 0.00 WT1 H ATOM 12463 OH2 TIP3 3473 37.497 49.918 -12.528 1.00 0.00 WT1 O ATOM 12464 H1 TIP3 3473 38.016 49.865 -11.725 1.00 0.00 WT1 H ATOM 12465 H2 TIP3 3473 37.771 49.158 -13.041 1.00 0.00 WT1 H ATOM 12466 OH2 TIP3 3474 25.265 23.143 29.317 1.00 0.00 WT1 O ATOM 12467 H1 TIP3 3474 24.558 23.769 29.475 1.00 0.00 WT1 H ATOM 12468 H2 TIP3 3474 25.438 23.207 28.378 1.00 0.00 WT1 H ATOM 12469 OH2 TIP3 3475 55.146 54.679 12.072 1.00 0.00 WT1 O ATOM 12470 H1 TIP3 3475 55.720 55.170 12.660 1.00 0.00 WT1 H ATOM 12471 H2 TIP3 3475 54.309 54.637 12.533 1.00 0.00 WT1 H ATOM 12472 OH2 TIP3 3476 28.238 4.176 -12.006 1.00 0.00 WT1 O ATOM 12473 H1 TIP3 3476 27.393 4.205 -11.557 1.00 0.00 WT1 H ATOM 12474 H2 TIP3 3476 28.610 5.048 -11.872 1.00 0.00 WT1 H ATOM 12475 OH2 TIP3 3481 37.041 34.677 -4.175 1.00 0.00 WT1 O ATOM 12476 H1 TIP3 3481 36.969 33.760 -3.911 1.00 0.00 WT1 H ATOM 12477 H2 TIP3 3481 37.528 34.652 -4.999 1.00 0.00 WT1 H ATOM 12478 OH2 TIP3 3482 31.643 27.495 14.782 1.00 0.00 WT1 O ATOM 12479 H1 TIP3 3482 32.110 27.044 14.079 1.00 0.00 WT1 H ATOM 12480 H2 TIP3 3482 31.744 28.425 14.580 1.00 0.00 WT1 H ATOM 12481 OH2 TIP3 3483 29.051 64.079 40.062 1.00 0.00 WT1 O ATOM 12482 H1 TIP3 3483 28.532 63.882 39.282 1.00 0.00 WT1 H ATOM 12483 H2 TIP3 3483 29.958 63.946 39.787 1.00 0.00 WT1 H ATOM 12484 OH2 TIP3 3484 66.634 72.335 21.313 1.00 0.00 WT1 O ATOM 12485 H1 TIP3 3484 65.816 72.797 21.500 1.00 0.00 WT1 H ATOM 12486 H2 TIP3 3484 67.014 72.164 22.175 1.00 0.00 WT1 H ATOM 12487 OH2 TIP3 3485 79.077 56.875 32.510 1.00 0.00 WT1 O ATOM 12488 H1 TIP3 3485 79.477 56.863 31.641 1.00 0.00 WT1 H ATOM 12489 H2 TIP3 3485 79.026 57.803 32.738 1.00 0.00 WT1 H ATOM 12490 OH2 TIP3 3486 53.874 25.002 -16.757 1.00 0.00 WT1 O ATOM 12491 H1 TIP3 3486 53.222 24.931 -16.060 1.00 0.00 WT1 H ATOM 12492 H2 TIP3 3486 54.144 25.920 -16.742 1.00 0.00 WT1 H ATOM 12493 OH2 TIP3 3487 21.390 45.817 -16.649 1.00 0.00 WT1 O ATOM 12494 H1 TIP3 3487 21.362 44.927 -16.297 1.00 0.00 WT1 H ATOM 12495 H2 TIP3 3487 21.299 45.703 -17.595 1.00 0.00 WT1 H ATOM 12496 OH2 TIP3 3488 47.066 58.904 -12.103 1.00 0.00 WT1 O ATOM 12497 H1 TIP3 3488 46.291 59.446 -11.957 1.00 0.00 WT1 H ATOM 12498 H2 TIP3 3488 47.784 59.531 -12.189 1.00 0.00 WT1 H ATOM 12499 OH2 TIP3 3489 52.567 63.650 54.272 1.00 0.00 WT1 O ATOM 12500 H1 TIP3 3489 52.761 64.569 54.086 1.00 0.00 WT1 H ATOM 12501 H2 TIP3 3489 51.681 63.519 53.935 1.00 0.00 WT1 H ATOM 12502 OH2 TIP3 3490 85.809 91.410 49.354 1.00 0.00 WT1 O ATOM 12503 H1 TIP3 3490 86.628 91.875 49.186 1.00 0.00 WT1 H ATOM 12504 H2 TIP3 3490 85.988 90.881 50.131 1.00 0.00 WT1 H ATOM 12505 OH2 TIP3 3491 26.539 50.909 5.472 1.00 0.00 WT1 O ATOM 12506 H1 TIP3 3491 26.983 51.228 4.686 1.00 0.00 WT1 H ATOM 12507 H2 TIP3 3491 25.636 50.759 5.194 1.00 0.00 WT1 H ATOM 12508 OH2 TIP3 3492 47.324 2.220 53.400 1.00 0.00 WT1 O ATOM 12509 H1 TIP3 3492 47.837 1.417 53.492 1.00 0.00 WT1 H ATOM 12510 H2 TIP3 3492 46.737 2.217 54.156 1.00 0.00 WT1 H ATOM 12511 OH2 TIP3 3494 49.283 55.891 -11.215 1.00 0.00 WT1 O ATOM 12512 H1 TIP3 3494 49.799 56.403 -11.839 1.00 0.00 WT1 H ATOM 12513 H2 TIP3 3494 48.674 56.522 -10.832 1.00 0.00 WT1 H ATOM 12514 OH2 TIP3 3495 49.847 68.636 -12.488 1.00 0.00 WT1 O ATOM 12515 H1 TIP3 3495 50.303 68.122 -13.155 1.00 0.00 WT1 H ATOM 12516 H2 TIP3 3495 49.974 68.143 -11.677 1.00 0.00 WT1 H ATOM 12517 OH2 TIP3 3496 49.320 84.617 14.368 1.00 0.00 WT1 O ATOM 12518 H1 TIP3 3496 49.658 83.903 13.828 1.00 0.00 WT1 H ATOM 12519 H2 TIP3 3496 49.963 84.712 15.071 1.00 0.00 WT1 H ATOM 12520 OH2 TIP3 3497 39.381 79.588 -0.530 1.00 0.00 WT1 O ATOM 12521 H1 TIP3 3497 39.414 80.338 0.064 1.00 0.00 WT1 H ATOM 12522 H2 TIP3 3497 40.259 79.541 -0.907 1.00 0.00 WT1 H ATOM 12523 OH2 TIP3 3501 53.595 42.392 24.226 1.00 0.00 WT1 O ATOM 12524 H1 TIP3 3501 54.493 42.602 23.969 1.00 0.00 WT1 H ATOM 12525 H2 TIP3 3501 53.102 42.408 23.406 1.00 0.00 WT1 H ATOM 12526 OH2 TIP3 3502 78.750 68.941 28.344 1.00 0.00 WT1 O ATOM 12527 H1 TIP3 3502 77.944 68.682 28.791 1.00 0.00 WT1 H ATOM 12528 H2 TIP3 3502 78.736 68.454 27.521 1.00 0.00 WT1 H ATOM 12529 OH2 TIP3 3504 23.840 69.485 29.166 1.00 0.00 WT1 O ATOM 12530 H1 TIP3 3504 23.127 69.893 29.657 1.00 0.00 WT1 H ATOM 12531 H2 TIP3 3504 23.672 69.724 28.254 1.00 0.00 WT1 H ATOM 12532 OH2 TIP3 3506 72.704 78.676 31.419 1.00 0.00 WT1 O ATOM 12533 H1 TIP3 3506 72.358 78.504 32.295 1.00 0.00 WT1 H ATOM 12534 H2 TIP3 3506 72.367 77.958 30.883 1.00 0.00 WT1 H ATOM 12535 OH2 TIP3 3507 79.158 9.474 8.406 1.00 0.00 WT1 O ATOM 12536 H1 TIP3 3507 79.357 9.533 7.471 1.00 0.00 WT1 H ATOM 12537 H2 TIP3 3507 79.997 9.264 8.816 1.00 0.00 WT1 H ATOM 12538 OH2 TIP3 3508 30.237 41.168 -0.870 1.00 0.00 WT1 O ATOM 12539 H1 TIP3 3508 30.182 42.078 -0.579 1.00 0.00 WT1 H ATOM 12540 H2 TIP3 3508 31.124 40.894 -0.636 1.00 0.00 WT1 H ATOM 12541 OH2 TIP3 3509 49.744 59.619 56.379 1.00 0.00 WT1 O ATOM 12542 H1 TIP3 3509 48.877 59.847 56.043 1.00 0.00 WT1 H ATOM 12543 H2 TIP3 3509 50.337 59.791 55.648 1.00 0.00 WT1 H ATOM 12544 OH2 TIP3 3510 56.287 56.773 16.547 1.00 0.00 WT1 O ATOM 12545 H1 TIP3 3510 55.530 56.278 16.859 1.00 0.00 WT1 H ATOM 12546 H2 TIP3 3510 55.982 57.680 16.511 1.00 0.00 WT1 H ATOM 12547 OH2 TIP3 3511 54.774 76.715 -16.920 1.00 0.00 WT1 O ATOM 12548 H1 TIP3 3511 53.842 76.864 -16.759 1.00 0.00 WT1 H ATOM 12549 H2 TIP3 3511 55.146 76.562 -16.052 1.00 0.00 WT1 H ATOM 12550 OH2 TIP3 3512 75.161 52.953 -10.719 1.00 0.00 WT1 O ATOM 12551 H1 TIP3 3512 75.153 52.862 -9.766 1.00 0.00 WT1 H ATOM 12552 H2 TIP3 3512 74.267 53.214 -10.942 1.00 0.00 WT1 H ATOM 12553 OH2 TIP3 3513 48.416 80.512 0.215 1.00 0.00 WT1 O ATOM 12554 H1 TIP3 3513 48.561 79.634 0.567 1.00 0.00 WT1 H ATOM 12555 H2 TIP3 3513 47.597 80.800 0.618 1.00 0.00 WT1 H ATOM 12556 OH2 TIP3 3514 88.858 13.615 -9.500 1.00 0.00 WT1 O ATOM 12557 H1 TIP3 3514 88.981 14.170 -8.730 1.00 0.00 WT1 H ATOM 12558 H2 TIP3 3514 89.388 14.029 -10.181 1.00 0.00 WT1 H ATOM 12559 OH2 TIP3 3515 59.329 39.305 -7.286 1.00 0.00 WT1 O ATOM 12560 H1 TIP3 3515 59.715 40.174 -7.398 1.00 0.00 WT1 H ATOM 12561 H2 TIP3 3515 60.020 38.786 -6.875 1.00 0.00 WT1 H ATOM 12562 OH2 TIP3 3516 46.663 51.587 -0.423 1.00 0.00 WT1 O ATOM 12563 H1 TIP3 3516 46.699 52.511 -0.176 1.00 0.00 WT1 H ATOM 12564 H2 TIP3 3516 46.116 51.569 -1.208 1.00 0.00 WT1 H ATOM 12565 OH2 TIP3 3517 81.322 91.071 8.125 1.00 0.00 WT1 O ATOM 12566 H1 TIP3 3517 82.040 91.029 7.494 1.00 0.00 WT1 H ATOM 12567 H2 TIP3 3517 80.572 90.697 7.662 1.00 0.00 WT1 H ATOM 12568 OH2 TIP3 3518 32.380 48.099 18.379 1.00 0.00 WT1 O ATOM 12569 H1 TIP3 3518 32.576 47.401 17.755 1.00 0.00 WT1 H ATOM 12570 H2 TIP3 3518 33.201 48.583 18.465 1.00 0.00 WT1 H ATOM 12571 OH2 TIP3 3519 81.790 54.645 43.787 1.00 0.00 WT1 O ATOM 12572 H1 TIP3 3519 81.501 54.734 44.696 1.00 0.00 WT1 H ATOM 12573 H2 TIP3 3519 81.777 55.538 43.442 1.00 0.00 WT1 H ATOM 12574 OH2 TIP3 3520 33.811 73.440 54.402 1.00 0.00 WT1 O ATOM 12575 H1 TIP3 3520 34.514 73.824 53.879 1.00 0.00 WT1 H ATOM 12576 H2 TIP3 3520 33.502 74.159 54.953 1.00 0.00 WT1 H ATOM 12577 OH2 TIP3 3521 70.986 51.621 10.702 1.00 0.00 WT1 O ATOM 12578 H1 TIP3 3521 70.569 51.741 9.849 1.00 0.00 WT1 H ATOM 12579 H2 TIP3 3521 71.552 50.858 10.587 1.00 0.00 WT1 H ATOM 12580 OH2 TIP3 3522 51.373 86.116 33.584 1.00 0.00 WT1 O ATOM 12581 H1 TIP3 3522 52.044 85.945 32.923 1.00 0.00 WT1 H ATOM 12582 H2 TIP3 3522 51.068 85.247 33.845 1.00 0.00 WT1 H ATOM 12583 OH2 TIP3 3523 54.081 21.526 29.385 1.00 0.00 WT1 O ATOM 12584 H1 TIP3 3523 54.766 20.867 29.495 1.00 0.00 WT1 H ATOM 12585 H2 TIP3 3523 53.969 21.599 28.437 1.00 0.00 WT1 H ATOM 12586 OH2 TIP3 3524 40.450 65.211 -8.713 1.00 0.00 WT1 O ATOM 12587 H1 TIP3 3524 40.672 66.049 -8.306 1.00 0.00 WT1 H ATOM 12588 H2 TIP3 3524 39.962 64.738 -8.039 1.00 0.00 WT1 H ATOM 12589 OH2 TIP3 3526 35.732 9.854 18.195 1.00 0.00 WT1 O ATOM 12590 H1 TIP3 3526 36.485 9.947 18.779 1.00 0.00 WT1 H ATOM 12591 H2 TIP3 3526 35.337 10.726 18.174 1.00 0.00 WT1 H ATOM 12592 OH2 TIP3 3527 68.671 16.379 57.377 1.00 0.00 WT1 O ATOM 12593 H1 TIP3 3527 69.048 16.186 56.519 1.00 0.00 WT1 H ATOM 12594 H2 TIP3 3527 68.573 17.331 57.388 1.00 0.00 WT1 H ATOM 12595 OH2 TIP3 3528 81.099 61.360 20.747 1.00 0.00 WT1 O ATOM 12596 H1 TIP3 3528 80.339 61.770 20.333 1.00 0.00 WT1 H ATOM 12597 H2 TIP3 3528 80.845 60.444 20.860 1.00 0.00 WT1 H ATOM 12598 OH2 TIP3 3529 69.879 28.694 7.260 1.00 0.00 WT1 O ATOM 12599 H1 TIP3 3529 70.059 29.634 7.229 1.00 0.00 WT1 H ATOM 12600 H2 TIP3 3529 69.010 28.603 6.868 1.00 0.00 WT1 H ATOM 12601 OH2 TIP3 3530 45.005 9.469 41.504 1.00 0.00 WT1 O ATOM 12602 H1 TIP3 3530 45.822 9.332 41.024 1.00 0.00 WT1 H ATOM 12603 H2 TIP3 3530 44.324 9.134 40.919 1.00 0.00 WT1 H ATOM 12604 OH2 TIP3 3531 50.863 83.507 47.766 1.00 0.00 WT1 O ATOM 12605 H1 TIP3 3531 51.351 83.967 48.450 1.00 0.00 WT1 H ATOM 12606 H2 TIP3 3531 50.913 84.085 47.005 1.00 0.00 WT1 H ATOM 12607 OH2 TIP3 3533 61.783 2.327 52.702 1.00 0.00 WT1 O ATOM 12608 H1 TIP3 3533 61.435 1.798 53.420 1.00 0.00 WT1 H ATOM 12609 H2 TIP3 3533 61.841 3.212 53.062 1.00 0.00 WT1 H ATOM 12610 OH2 TIP3 3534 63.027 73.643 -1.438 1.00 0.00 WT1 O ATOM 12611 H1 TIP3 3534 62.398 74.231 -1.020 1.00 0.00 WT1 H ATOM 12612 H2 TIP3 3534 63.258 73.014 -0.755 1.00 0.00 WT1 H ATOM 12613 OH2 TIP3 3535 46.992 91.327 13.775 1.00 0.00 WT1 O ATOM 12614 H1 TIP3 3535 47.440 92.119 14.075 1.00 0.00 WT1 H ATOM 12615 H2 TIP3 3535 47.093 90.707 14.497 1.00 0.00 WT1 H ATOM 12616 OH2 TIP3 3536 68.928 82.627 -14.999 1.00 0.00 WT1 O ATOM 12617 H1 TIP3 3536 68.194 83.044 -15.451 1.00 0.00 WT1 H ATOM 12618 H2 TIP3 3536 69.164 81.887 -15.559 1.00 0.00 WT1 H ATOM 12619 OH2 TIP3 3537 23.697 5.398 10.744 1.00 0.00 WT1 O ATOM 12620 H1 TIP3 3537 24.203 5.810 10.043 1.00 0.00 WT1 H ATOM 12621 H2 TIP3 3537 23.792 4.459 10.588 1.00 0.00 WT1 H ATOM 12622 OH2 TIP3 3538 25.373 74.473 6.515 1.00 0.00 WT1 O ATOM 12623 H1 TIP3 3538 26.167 75.001 6.601 1.00 0.00 WT1 H ATOM 12624 H2 TIP3 3538 24.988 74.472 7.391 1.00 0.00 WT1 H ATOM 12625 OH2 TIP3 3539 50.500 60.141 -0.715 1.00 0.00 WT1 O ATOM 12626 H1 TIP3 3539 50.910 60.811 -0.169 1.00 0.00 WT1 H ATOM 12627 H2 TIP3 3539 50.874 59.316 -0.405 1.00 0.00 WT1 H ATOM 12628 OH2 TIP3 3543 25.661 53.126 27.812 1.00 0.00 WT1 O ATOM 12629 H1 TIP3 3543 26.583 53.326 27.654 1.00 0.00 WT1 H ATOM 12630 H2 TIP3 3543 25.622 52.169 27.825 1.00 0.00 WT1 H ATOM 12631 OH2 TIP3 3544 51.024 78.062 27.012 1.00 0.00 WT1 O ATOM 12632 H1 TIP3 3544 50.588 77.286 26.662 1.00 0.00 WT1 H ATOM 12633 H2 TIP3 3544 51.837 77.729 27.394 1.00 0.00 WT1 H ATOM 12634 OH2 TIP3 3545 68.348 59.843 63.334 1.00 0.00 WT1 O ATOM 12635 H1 TIP3 3545 68.108 59.614 62.436 1.00 0.00 WT1 H ATOM 12636 H2 TIP3 3545 67.800 60.599 63.544 1.00 0.00 WT1 H ATOM 12637 OH2 TIP3 3546 47.991 93.842 61.228 1.00 0.00 WT1 O ATOM 12638 H1 TIP3 3546 47.950 94.764 60.970 1.00 0.00 WT1 H ATOM 12639 H2 TIP3 3546 47.075 93.582 61.331 1.00 0.00 WT1 H ATOM 12640 OH2 TIP3 3548 25.245 27.625 50.439 1.00 0.00 WT1 O ATOM 12641 H1 TIP3 3548 24.364 27.328 50.667 1.00 0.00 WT1 H ATOM 12642 H2 TIP3 3548 25.762 27.468 51.229 1.00 0.00 WT1 H ATOM 12643 OH2 TIP3 3549 27.424 18.307 40.944 1.00 0.00 WT1 O ATOM 12644 H1 TIP3 3549 28.275 17.981 40.650 1.00 0.00 WT1 H ATOM 12645 H2 TIP3 3549 26.785 17.786 40.459 1.00 0.00 WT1 H ATOM 12646 OH2 TIP3 3550 42.249 42.811 41.407 1.00 0.00 WT1 O ATOM 12647 H1 TIP3 3550 42.245 43.609 40.878 1.00 0.00 WT1 H ATOM 12648 H2 TIP3 3550 41.689 42.202 40.927 1.00 0.00 WT1 H ATOM 12649 OH2 TIP3 3551 21.686 91.170 59.592 1.00 0.00 WT1 O ATOM 12650 H1 TIP3 3551 21.380 90.650 60.335 1.00 0.00 WT1 H ATOM 12651 H2 TIP3 3551 22.312 91.786 59.972 1.00 0.00 WT1 H ATOM 12652 OH2 TIP3 3552 34.015 76.262 -1.021 1.00 0.00 WT1 O ATOM 12653 H1 TIP3 3552 34.758 76.242 -0.418 1.00 0.00 WT1 H ATOM 12654 H2 TIP3 3552 34.035 75.410 -1.457 1.00 0.00 WT1 H ATOM 12655 OH2 TIP3 3554 54.787 23.337 4.449 1.00 0.00 WT1 O ATOM 12656 H1 TIP3 3554 55.186 24.054 4.942 1.00 0.00 WT1 H ATOM 12657 H2 TIP3 3554 54.148 22.957 5.053 1.00 0.00 WT1 H ATOM 12658 OH2 TIP3 3555 44.071 76.287 -16.045 1.00 0.00 WT1 O ATOM 12659 H1 TIP3 3555 44.808 75.735 -16.308 1.00 0.00 WT1 H ATOM 12660 H2 TIP3 3555 43.317 75.698 -16.049 1.00 0.00 WT1 H ATOM 12661 OH2 TIP3 3556 69.290 72.314 2.737 1.00 0.00 WT1 O ATOM 12662 H1 TIP3 3556 68.987 72.479 1.843 1.00 0.00 WT1 H ATOM 12663 H2 TIP3 3556 68.497 72.084 3.220 1.00 0.00 WT1 H ATOM 12664 OH2 TIP3 3557 21.485 24.639 -12.293 1.00 0.00 WT1 O ATOM 12665 H1 TIP3 3557 20.939 24.413 -11.540 1.00 0.00 WT1 H ATOM 12666 H2 TIP3 3557 22.216 24.022 -12.253 1.00 0.00 WT1 H ATOM 12667 OH2 TIP3 3558 72.154 31.125 14.606 1.00 0.00 WT1 O ATOM 12668 H1 TIP3 3558 72.163 31.928 14.085 1.00 0.00 WT1 H ATOM 12669 H2 TIP3 3558 71.565 31.318 15.335 1.00 0.00 WT1 H ATOM 12670 OH2 TIP3 3559 47.486 41.043 61.026 1.00 0.00 WT1 O ATOM 12671 H1 TIP3 3559 46.672 40.548 61.119 1.00 0.00 WT1 H ATOM 12672 H2 TIP3 3559 47.789 40.841 60.141 1.00 0.00 WT1 H ATOM 12673 OH2 TIP3 3560 41.459 11.585 55.109 1.00 0.00 WT1 O ATOM 12674 H1 TIP3 3560 41.130 11.103 55.867 1.00 0.00 WT1 H ATOM 12675 H2 TIP3 3560 42.306 11.929 55.393 1.00 0.00 WT1 H ATOM 12676 OH2 TIP3 3561 33.767 6.830 -3.723 1.00 0.00 WT1 O ATOM 12677 H1 TIP3 3561 34.695 6.988 -3.551 1.00 0.00 WT1 H ATOM 12678 H2 TIP3 3561 33.684 5.877 -3.736 1.00 0.00 WT1 H ATOM 12679 OH2 TIP3 3562 25.886 18.861 56.107 1.00 0.00 WT1 O ATOM 12680 H1 TIP3 3562 25.583 18.127 55.573 1.00 0.00 WT1 H ATOM 12681 H2 TIP3 3562 26.821 18.698 56.230 1.00 0.00 WT1 H ATOM 12682 OH2 TIP3 3563 49.587 3.959 47.308 1.00 0.00 WT1 O ATOM 12683 H1 TIP3 3563 48.797 4.068 46.778 1.00 0.00 WT1 H ATOM 12684 H2 TIP3 3563 49.613 3.023 47.508 1.00 0.00 WT1 H ATOM 12685 OH2 TIP3 3564 67.669 78.661 17.962 1.00 0.00 WT1 O ATOM 12686 H1 TIP3 3564 68.065 79.207 17.282 1.00 0.00 WT1 H ATOM 12687 H2 TIP3 3564 68.332 77.999 18.155 1.00 0.00 WT1 H ATOM 12688 OH2 TIP3 3566 68.395 29.968 40.329 1.00 0.00 WT1 O ATOM 12689 H1 TIP3 3566 68.058 30.784 39.960 1.00 0.00 WT1 H ATOM 12690 H2 TIP3 3566 67.957 29.888 41.176 1.00 0.00 WT1 H ATOM 12691 OH2 TIP3 3567 59.523 79.391 -18.892 1.00 0.00 WT1 O ATOM 12692 H1 TIP3 3567 60.012 80.213 -18.915 1.00 0.00 WT1 H ATOM 12693 H2 TIP3 3567 58.793 79.528 -19.496 1.00 0.00 WT1 H ATOM 12694 OH2 TIP3 3568 25.320 82.237 33.337 1.00 0.00 WT1 O ATOM 12695 H1 TIP3 3568 25.689 81.464 32.909 1.00 0.00 WT1 H ATOM 12696 H2 TIP3 3568 24.424 82.292 33.005 1.00 0.00 WT1 H ATOM 12697 OH2 TIP3 3569 72.267 29.734 24.083 1.00 0.00 WT1 O ATOM 12698 H1 TIP3 3569 72.498 28.856 24.386 1.00 0.00 WT1 H ATOM 12699 H2 TIP3 3569 72.654 30.321 24.732 1.00 0.00 WT1 H ATOM 12700 OH2 TIP3 3570 45.880 91.123 52.826 1.00 0.00 WT1 O ATOM 12701 H1 TIP3 3570 46.067 91.855 53.415 1.00 0.00 WT1 H ATOM 12702 H2 TIP3 3570 45.774 90.370 53.407 1.00 0.00 WT1 H ATOM 12703 OH2 TIP3 3571 51.610 40.332 -9.486 1.00 0.00 WT1 O ATOM 12704 H1 TIP3 3571 51.072 39.548 -9.377 1.00 0.00 WT1 H ATOM 12705 H2 TIP3 3571 51.245 40.963 -8.866 1.00 0.00 WT1 H ATOM 12706 OH2 TIP3 3572 52.026 33.040 35.342 1.00 0.00 WT1 O ATOM 12707 H1 TIP3 3572 51.452 32.591 34.722 1.00 0.00 WT1 H ATOM 12708 H2 TIP3 3572 51.519 33.082 36.152 1.00 0.00 WT1 H ATOM 12709 OH2 TIP3 3573 64.587 85.068 61.985 1.00 0.00 WT1 O ATOM 12710 H1 TIP3 3573 63.907 85.184 61.322 1.00 0.00 WT1 H ATOM 12711 H2 TIP3 3573 64.106 84.920 62.799 1.00 0.00 WT1 H ATOM 12712 OH2 TIP3 3574 28.704 28.193 -18.174 1.00 0.00 WT1 O ATOM 12713 H1 TIP3 3574 28.387 27.306 -18.343 1.00 0.00 WT1 H ATOM 12714 H2 TIP3 3574 28.993 28.512 -19.028 1.00 0.00 WT1 H ATOM 12715 OH2 TIP3 3575 48.280 76.058 46.704 1.00 0.00 WT1 O ATOM 12716 H1 TIP3 3575 47.912 75.199 46.499 1.00 0.00 WT1 H ATOM 12717 H2 TIP3 3575 47.797 76.666 46.146 1.00 0.00 WT1 H ATOM 12718 OH2 TIP3 3576 60.994 32.752 4.916 1.00 0.00 WT1 O ATOM 12719 H1 TIP3 3576 61.277 31.912 5.276 1.00 0.00 WT1 H ATOM 12720 H2 TIP3 3576 61.368 33.405 5.509 1.00 0.00 WT1 H ATOM 12721 OH2 TIP3 3578 71.943 77.047 -16.250 1.00 0.00 WT1 O ATOM 12722 H1 TIP3 3578 72.195 76.311 -15.692 1.00 0.00 WT1 H ATOM 12723 H2 TIP3 3578 71.409 76.652 -16.940 1.00 0.00 WT1 H ATOM 12724 OH2 TIP3 3579 35.443 64.036 15.486 1.00 0.00 WT1 O ATOM 12725 H1 TIP3 3579 35.113 63.763 16.341 1.00 0.00 WT1 H ATOM 12726 H2 TIP3 3579 36.393 64.075 15.596 1.00 0.00 WT1 H ATOM 12727 OH2 TIP3 3582 20.703 89.240 -15.967 1.00 0.00 WT1 O ATOM 12728 H1 TIP3 3582 21.454 89.620 -15.510 1.00 0.00 WT1 H ATOM 12729 H2 TIP3 3582 20.332 88.616 -15.343 1.00 0.00 WT1 H ATOM 12730 OH2 TIP3 3583 65.817 21.231 30.109 1.00 0.00 WT1 O ATOM 12731 H1 TIP3 3583 65.646 21.349 29.175 1.00 0.00 WT1 H ATOM 12732 H2 TIP3 3583 66.085 22.097 30.416 1.00 0.00 WT1 H ATOM 12733 OH2 TIP3 3585 58.059 21.816 -4.872 1.00 0.00 WT1 O ATOM 12734 H1 TIP3 3585 58.912 22.245 -4.939 1.00 0.00 WT1 H ATOM 12735 H2 TIP3 3585 57.827 21.885 -3.946 1.00 0.00 WT1 H ATOM 12736 OH2 TIP3 3586 86.122 64.620 0.938 1.00 0.00 WT1 O ATOM 12737 H1 TIP3 3586 86.294 63.680 0.877 1.00 0.00 WT1 H ATOM 12738 H2 TIP3 3586 86.159 64.811 1.875 1.00 0.00 WT1 H ATOM 12739 OH2 TIP3 3587 67.783 71.016 41.098 1.00 0.00 WT1 O ATOM 12740 H1 TIP3 3587 67.290 70.235 41.347 1.00 0.00 WT1 H ATOM 12741 H2 TIP3 3587 68.647 70.686 40.852 1.00 0.00 WT1 H ATOM 12742 OH2 TIP3 3588 46.833 1.860 16.260 1.00 0.00 WT1 O ATOM 12743 H1 TIP3 3588 47.278 2.070 15.439 1.00 0.00 WT1 H ATOM 12744 H2 TIP3 3588 47.124 0.973 16.471 1.00 0.00 WT1 H ATOM 12745 OH2 TIP3 3589 53.442 81.133 -6.719 1.00 0.00 WT1 O ATOM 12746 H1 TIP3 3589 54.172 80.579 -6.995 1.00 0.00 WT1 H ATOM 12747 H2 TIP3 3589 53.237 81.662 -7.490 1.00 0.00 WT1 H ATOM 12748 OH2 TIP3 3590 42.178 33.109 62.528 1.00 0.00 WT1 O ATOM 12749 H1 TIP3 3590 41.689 33.778 62.049 1.00 0.00 WT1 H ATOM 12750 H2 TIP3 3590 42.848 33.598 63.006 1.00 0.00 WT1 H ATOM 12751 OH2 TIP3 3591 56.169 39.192 -12.762 1.00 0.00 WT1 O ATOM 12752 H1 TIP3 3591 56.001 38.410 -13.289 1.00 0.00 WT1 H ATOM 12753 H2 TIP3 3591 55.340 39.671 -12.772 1.00 0.00 WT1 H ATOM 12754 OH2 TIP3 3592 21.199 95.918 -16.851 1.00 0.00 WT1 O ATOM 12755 H1 TIP3 3592 21.909 96.146 -16.252 1.00 0.00 WT1 H ATOM 12756 H2 TIP3 3592 20.872 96.760 -17.168 1.00 0.00 WT1 H ATOM 12757 OH2 TIP3 3593 57.517 89.390 52.657 1.00 0.00 WT1 O ATOM 12758 H1 TIP3 3593 56.680 89.803 52.448 1.00 0.00 WT1 H ATOM 12759 H2 TIP3 3593 57.509 88.569 52.164 1.00 0.00 WT1 H ATOM 12760 OH2 TIP3 3594 63.564 80.161 8.297 1.00 0.00 WT1 O ATOM 12761 H1 TIP3 3594 64.268 80.609 7.830 1.00 0.00 WT1 H ATOM 12762 H2 TIP3 3594 63.477 79.319 7.850 1.00 0.00 WT1 H ATOM 12763 OH2 TIP3 3595 66.268 12.359 12.522 1.00 0.00 WT1 O ATOM 12764 H1 TIP3 3595 65.677 11.618 12.389 1.00 0.00 WT1 H ATOM 12765 H2 TIP3 3595 65.757 12.986 13.034 1.00 0.00 WT1 H ATOM 12766 OH2 TIP3 3596 31.964 23.266 -10.104 1.00 0.00 WT1 O ATOM 12767 H1 TIP3 3596 32.616 23.171 -10.799 1.00 0.00 WT1 H ATOM 12768 H2 TIP3 3596 32.300 23.976 -9.557 1.00 0.00 WT1 H ATOM 12769 OH2 TIP3 3597 59.998 87.065 6.474 1.00 0.00 WT1 O ATOM 12770 H1 TIP3 3597 59.371 87.607 6.955 1.00 0.00 WT1 H ATOM 12771 H2 TIP3 3597 60.473 86.587 7.154 1.00 0.00 WT1 H ATOM 12772 OH2 TIP3 3598 20.858 92.966 15.215 1.00 0.00 WT1 O ATOM 12773 H1 TIP3 3598 20.322 93.117 14.436 1.00 0.00 WT1 H ATOM 12774 H2 TIP3 3598 21.521 92.337 14.931 1.00 0.00 WT1 H ATOM 12775 OH2 TIP3 3599 60.871 9.069 -8.353 1.00 0.00 WT1 O ATOM 12776 H1 TIP3 3599 60.389 8.245 -8.429 1.00 0.00 WT1 H ATOM 12777 H2 TIP3 3599 60.418 9.550 -7.661 1.00 0.00 WT1 H ATOM 12778 OH2 TIP3 3602 30.743 89.737 8.322 1.00 0.00 WT1 O ATOM 12779 H1 TIP3 3602 31.581 90.194 8.389 1.00 0.00 WT1 H ATOM 12780 H2 TIP3 3602 30.132 90.282 8.818 1.00 0.00 WT1 H ATOM 12781 OH2 TIP3 3603 47.177 89.830 -12.812 1.00 0.00 WT1 O ATOM 12782 H1 TIP3 3603 46.507 90.387 -12.416 1.00 0.00 WT1 H ATOM 12783 H2 TIP3 3603 47.482 90.325 -13.573 1.00 0.00 WT1 H ATOM 12784 OH2 TIP3 3604 87.186 90.930 12.480 1.00 0.00 WT1 O ATOM 12785 H1 TIP3 3604 86.852 91.505 13.168 1.00 0.00 WT1 H ATOM 12786 H2 TIP3 3604 87.404 90.116 12.934 1.00 0.00 WT1 H ATOM 12787 OH2 TIP3 3606 69.974 75.462 46.953 1.00 0.00 WT1 O ATOM 12788 H1 TIP3 3606 69.868 74.936 46.160 1.00 0.00 WT1 H ATOM 12789 H2 TIP3 3606 70.871 75.792 46.904 1.00 0.00 WT1 H ATOM 12790 OH2 TIP3 3607 32.776 61.417 30.977 1.00 0.00 WT1 O ATOM 12791 H1 TIP3 3607 33.731 61.453 31.041 1.00 0.00 WT1 H ATOM 12792 H2 TIP3 3607 32.527 62.268 30.617 1.00 0.00 WT1 H ATOM 12793 OH2 TIP3 3608 39.223 90.061 37.370 1.00 0.00 WT1 O ATOM 12794 H1 TIP3 3608 38.374 89.728 37.663 1.00 0.00 WT1 H ATOM 12795 H2 TIP3 3608 39.778 90.019 38.148 1.00 0.00 WT1 H ATOM 12796 OH2 TIP3 3609 68.400 5.203 22.716 1.00 0.00 WT1 O ATOM 12797 H1 TIP3 3609 69.310 5.071 22.980 1.00 0.00 WT1 H ATOM 12798 H2 TIP3 3609 68.188 6.087 23.015 1.00 0.00 WT1 H ATOM 12799 OH2 TIP3 3610 63.068 54.188 -0.277 1.00 0.00 WT1 O ATOM 12800 H1 TIP3 3610 62.144 54.231 -0.525 1.00 0.00 WT1 H ATOM 12801 H2 TIP3 3610 63.073 54.366 0.663 1.00 0.00 WT1 H ATOM 12802 OH2 TIP3 3611 29.680 44.771 31.135 1.00 0.00 WT1 O ATOM 12803 H1 TIP3 3611 29.577 44.900 30.192 1.00 0.00 WT1 H ATOM 12804 H2 TIP3 3611 30.529 45.164 31.339 1.00 0.00 WT1 H ATOM 12805 OH2 TIP3 3612 45.350 15.228 35.999 1.00 0.00 WT1 O ATOM 12806 H1 TIP3 3612 45.408 14.680 35.216 1.00 0.00 WT1 H ATOM 12807 H2 TIP3 3612 45.874 16.001 35.790 1.00 0.00 WT1 H ATOM 12808 OH2 TIP3 3613 24.070 68.135 56.398 1.00 0.00 WT1 O ATOM 12809 H1 TIP3 3613 24.529 67.506 55.841 1.00 0.00 WT1 H ATOM 12810 H2 TIP3 3613 23.527 68.641 55.793 1.00 0.00 WT1 H ATOM 12811 OH2 TIP3 3614 83.524 25.374 1.634 1.00 0.00 WT1 O ATOM 12812 H1 TIP3 3614 83.227 25.573 2.523 1.00 0.00 WT1 H ATOM 12813 H2 TIP3 3614 83.913 26.191 1.323 1.00 0.00 WT1 H ATOM 12814 OH2 TIP3 3615 37.940 47.245 5.267 1.00 0.00 WT1 O ATOM 12815 H1 TIP3 3615 38.270 46.349 5.208 1.00 0.00 WT1 H ATOM 12816 H2 TIP3 3615 38.057 47.484 6.186 1.00 0.00 WT1 H ATOM 12817 OH2 TIP3 3616 63.313 78.170 15.749 1.00 0.00 WT1 O ATOM 12818 H1 TIP3 3616 62.730 78.850 16.086 1.00 0.00 WT1 H ATOM 12819 H2 TIP3 3616 63.126 77.403 16.289 1.00 0.00 WT1 H ATOM 12820 OH2 TIP3 3618 33.753 7.826 1.329 1.00 0.00 WT1 O ATOM 12821 H1 TIP3 3618 33.094 8.397 0.934 1.00 0.00 WT1 H ATOM 12822 H2 TIP3 3618 34.475 8.413 1.555 1.00 0.00 WT1 H ATOM 12823 OH2 TIP3 3619 83.273 4.039 -13.373 1.00 0.00 WT1 O ATOM 12824 H1 TIP3 3619 84.046 3.645 -12.968 1.00 0.00 WT1 H ATOM 12825 H2 TIP3 3619 82.646 3.318 -13.443 1.00 0.00 WT1 H ATOM 12826 OH2 TIP3 3620 68.618 56.607 5.277 1.00 0.00 WT1 O ATOM 12827 H1 TIP3 3620 68.614 57.461 5.709 1.00 0.00 WT1 H ATOM 12828 H2 TIP3 3620 69.116 56.042 5.869 1.00 0.00 WT1 H ATOM 12829 OH2 TIP3 3621 29.397 94.547 36.205 1.00 0.00 WT1 O ATOM 12830 H1 TIP3 3621 28.895 94.248 36.964 1.00 0.00 WT1 H ATOM 12831 H2 TIP3 3621 29.756 95.392 36.473 1.00 0.00 WT1 H ATOM 12832 OH2 TIP3 3622 39.478 55.739 7.364 1.00 0.00 WT1 O ATOM 12833 H1 TIP3 3622 39.812 55.024 7.906 1.00 0.00 WT1 H ATOM 12834 H2 TIP3 3622 39.834 56.531 7.766 1.00 0.00 WT1 H ATOM 12835 OH2 TIP3 3623 65.913 66.431 62.855 1.00 0.00 WT1 O ATOM 12836 H1 TIP3 3623 66.451 65.743 63.247 1.00 0.00 WT1 H ATOM 12837 H2 TIP3 3623 66.281 67.246 63.197 1.00 0.00 WT1 H ATOM 12838 OH2 TIP3 3626 39.638 45.062 5.715 1.00 0.00 WT1 O ATOM 12839 H1 TIP3 3626 40.226 45.705 6.111 1.00 0.00 WT1 H ATOM 12840 H2 TIP3 3626 39.600 44.348 6.351 1.00 0.00 WT1 H ATOM 12841 OH2 TIP3 3627 49.358 39.091 11.729 1.00 0.00 WT1 O ATOM 12842 H1 TIP3 3627 49.325 38.533 12.505 1.00 0.00 WT1 H ATOM 12843 H2 TIP3 3627 49.534 39.968 12.071 1.00 0.00 WT1 H ATOM 12844 OH2 TIP3 3629 68.325 31.705 -17.895 1.00 0.00 WT1 O ATOM 12845 H1 TIP3 3629 67.812 31.430 -18.655 1.00 0.00 WT1 H ATOM 12846 H2 TIP3 3629 67.868 31.323 -17.146 1.00 0.00 WT1 H ATOM 12847 OH2 TIP3 3630 29.834 93.592 65.784 1.00 0.00 WT1 O ATOM 12848 H1 TIP3 3630 28.935 93.394 65.520 1.00 0.00 WT1 H ATOM 12849 H2 TIP3 3630 30.079 92.871 66.364 1.00 0.00 WT1 H ATOM 12850 OH2 TIP3 3631 24.840 75.326 28.489 1.00 0.00 WT1 O ATOM 12851 H1 TIP3 3631 24.200 75.694 27.880 1.00 0.00 WT1 H ATOM 12852 H2 TIP3 3631 25.534 74.981 27.929 1.00 0.00 WT1 H ATOM 12853 OH2 TIP3 3632 29.073 33.139 20.754 1.00 0.00 WT1 O ATOM 12854 H1 TIP3 3632 28.373 33.601 20.294 1.00 0.00 WT1 H ATOM 12855 H2 TIP3 3632 29.879 33.547 20.437 1.00 0.00 WT1 H ATOM 12856 OH2 TIP3 3633 75.136 90.977 60.569 1.00 0.00 WT1 O ATOM 12857 H1 TIP3 3633 74.244 90.772 60.288 1.00 0.00 WT1 H ATOM 12858 H2 TIP3 3633 75.273 91.883 60.290 1.00 0.00 WT1 H ATOM 12859 OH2 TIP3 3634 68.558 82.398 30.291 1.00 0.00 WT1 O ATOM 12860 H1 TIP3 3634 69.062 82.886 29.641 1.00 0.00 WT1 H ATOM 12861 H2 TIP3 3634 67.833 82.979 30.520 1.00 0.00 WT1 H ATOM 12862 OH2 TIP3 3635 68.972 68.490 -9.790 1.00 0.00 WT1 O ATOM 12863 H1 TIP3 3635 69.666 67.863 -9.589 1.00 0.00 WT1 H ATOM 12864 H2 TIP3 3635 68.172 68.075 -9.467 1.00 0.00 WT1 H ATOM 12865 OH2 TIP3 3636 83.405 28.638 35.919 1.00 0.00 WT1 O ATOM 12866 H1 TIP3 3636 83.449 27.683 35.875 1.00 0.00 WT1 H ATOM 12867 H2 TIP3 3636 83.228 28.911 35.018 1.00 0.00 WT1 H ATOM 12868 OH2 TIP3 3637 27.225 95.326 -17.760 1.00 0.00 WT1 O ATOM 12869 H1 TIP3 3637 26.913 96.171 -17.437 1.00 0.00 WT1 H ATOM 12870 H2 TIP3 3637 26.918 94.693 -17.111 1.00 0.00 WT1 H ATOM 12871 OH2 TIP3 3638 54.117 44.716 36.676 1.00 0.00 WT1 O ATOM 12872 H1 TIP3 3638 53.176 44.543 36.638 1.00 0.00 WT1 H ATOM 12873 H2 TIP3 3638 54.374 44.845 35.763 1.00 0.00 WT1 H ATOM 12874 OH2 TIP3 3639 45.889 89.576 36.789 1.00 0.00 WT1 O ATOM 12875 H1 TIP3 3639 46.180 88.797 36.313 1.00 0.00 WT1 H ATOM 12876 H2 TIP3 3639 45.694 90.216 36.104 1.00 0.00 WT1 H ATOM 12877 OH2 TIP3 3640 72.181 0.464 -6.336 1.00 0.00 WT1 O ATOM 12878 H1 TIP3 3640 72.571 1.311 -6.121 1.00 0.00 WT1 H ATOM 12879 H2 TIP3 3640 72.651 0.176 -7.119 1.00 0.00 WT1 H ATOM 12880 OH2 TIP3 3641 68.241 74.696 27.245 1.00 0.00 WT1 O ATOM 12881 H1 TIP3 3641 67.714 74.955 28.001 1.00 0.00 WT1 H ATOM 12882 H2 TIP3 3641 67.682 74.879 26.489 1.00 0.00 WT1 H ATOM 12883 OH2 TIP3 3642 50.603 82.102 22.966 1.00 0.00 WT1 O ATOM 12884 H1 TIP3 3642 50.971 82.236 23.839 1.00 0.00 WT1 H ATOM 12885 H2 TIP3 3642 50.214 81.228 23.000 1.00 0.00 WT1 H ATOM 12886 OH2 TIP3 3643 66.454 5.462 60.885 1.00 0.00 WT1 O ATOM 12887 H1 TIP3 3643 66.182 5.724 60.006 1.00 0.00 WT1 H ATOM 12888 H2 TIP3 3643 65.862 5.936 61.470 1.00 0.00 WT1 H ATOM 12889 OH2 TIP3 3646 35.818 8.969 34.118 1.00 0.00 WT1 O ATOM 12890 H1 TIP3 3646 35.184 8.266 34.260 1.00 0.00 WT1 H ATOM 12891 H2 TIP3 3646 36.224 8.760 33.276 1.00 0.00 WT1 H ATOM 12892 OH2 TIP3 3647 49.429 13.663 38.186 1.00 0.00 WT1 O ATOM 12893 H1 TIP3 3647 48.570 14.047 38.362 1.00 0.00 WT1 H ATOM 12894 H2 TIP3 3647 49.930 13.817 38.988 1.00 0.00 WT1 H ATOM 12895 OH2 TIP3 3648 51.951 83.773 15.218 1.00 0.00 WT1 O ATOM 12896 H1 TIP3 3648 51.788 83.377 16.074 1.00 0.00 WT1 H ATOM 12897 H2 TIP3 3648 51.634 83.125 14.589 1.00 0.00 WT1 H ATOM 12898 OH2 TIP3 3649 35.534 25.502 58.761 1.00 0.00 WT1 O ATOM 12899 H1 TIP3 3649 36.089 25.061 58.117 1.00 0.00 WT1 H ATOM 12900 H2 TIP3 3649 35.502 26.412 58.466 1.00 0.00 WT1 H ATOM 12901 OH2 TIP3 3650 31.080 78.245 47.315 1.00 0.00 WT1 O ATOM 12902 H1 TIP3 3650 31.515 78.072 46.480 1.00 0.00 WT1 H ATOM 12903 H2 TIP3 3650 30.294 78.739 47.078 1.00 0.00 WT1 H ATOM 12904 OH2 TIP3 3651 30.600 17.265 62.714 1.00 0.00 WT1 O ATOM 12905 H1 TIP3 3651 31.518 17.302 62.984 1.00 0.00 WT1 H ATOM 12906 H2 TIP3 3651 30.300 18.173 62.760 1.00 0.00 WT1 H ATOM 12907 OH2 TIP3 3652 34.140 12.555 44.075 1.00 0.00 WT1 O ATOM 12908 H1 TIP3 3652 33.208 12.341 44.108 1.00 0.00 WT1 H ATOM 12909 H2 TIP3 3652 34.484 12.024 43.357 1.00 0.00 WT1 H ATOM 12910 OH2 TIP3 3653 57.158 6.056 -12.952 1.00 0.00 WT1 O ATOM 12911 H1 TIP3 3653 57.329 5.342 -13.567 1.00 0.00 WT1 H ATOM 12912 H2 TIP3 3653 57.754 5.891 -12.221 1.00 0.00 WT1 H ATOM 12913 OH2 TIP3 3654 81.393 8.365 -11.087 1.00 0.00 WT1 O ATOM 12914 H1 TIP3 3654 82.055 7.680 -11.186 1.00 0.00 WT1 H ATOM 12915 H2 TIP3 3654 81.892 9.182 -11.086 1.00 0.00 WT1 H ATOM 12916 OH2 TIP3 3655 36.723 43.911 43.541 1.00 0.00 WT1 O ATOM 12917 H1 TIP3 3655 37.094 44.353 44.305 1.00 0.00 WT1 H ATOM 12918 H2 TIP3 3655 35.946 43.465 43.876 1.00 0.00 WT1 H ATOM 12919 OH2 TIP3 3656 65.479 87.097 47.920 1.00 0.00 WT1 O ATOM 12920 H1 TIP3 3656 64.861 86.425 48.209 1.00 0.00 WT1 H ATOM 12921 H2 TIP3 3656 66.094 86.631 47.354 1.00 0.00 WT1 H ATOM 12922 OH2 TIP3 3657 33.148 11.637 57.942 1.00 0.00 WT1 O ATOM 12923 H1 TIP3 3657 33.602 12.335 57.469 1.00 0.00 WT1 H ATOM 12924 H2 TIP3 3657 32.221 11.785 57.757 1.00 0.00 WT1 H ATOM 12925 OH2 TIP3 3658 63.122 90.324 19.686 1.00 0.00 WT1 O ATOM 12926 H1 TIP3 3658 63.056 90.346 20.641 1.00 0.00 WT1 H ATOM 12927 H2 TIP3 3658 63.562 89.496 19.495 1.00 0.00 WT1 H ATOM 12928 OH2 TIP3 3659 88.750 74.392 37.911 1.00 0.00 WT1 O ATOM 12929 H1 TIP3 3659 88.499 73.989 38.743 1.00 0.00 WT1 H ATOM 12930 H2 TIP3 3659 87.994 74.252 37.340 1.00 0.00 WT1 H ATOM 12931 OH2 TIP3 3660 26.617 63.016 -13.845 1.00 0.00 WT1 O ATOM 12932 H1 TIP3 3660 25.963 63.089 -14.539 1.00 0.00 WT1 H ATOM 12933 H2 TIP3 3660 27.161 62.272 -14.104 1.00 0.00 WT1 H ATOM 12934 OH2 TIP3 3661 39.402 12.721 28.158 1.00 0.00 WT1 O ATOM 12935 H1 TIP3 3661 38.590 12.215 28.160 1.00 0.00 WT1 H ATOM 12936 H2 TIP3 3661 39.141 13.594 27.868 1.00 0.00 WT1 H ATOM 12937 OH2 TIP3 3662 21.480 3.218 35.061 1.00 0.00 WT1 O ATOM 12938 H1 TIP3 3662 21.433 2.263 35.103 1.00 0.00 WT1 H ATOM 12939 H2 TIP3 3662 21.340 3.425 34.137 1.00 0.00 WT1 H ATOM 12940 OH2 TIP3 3663 58.893 12.435 49.927 1.00 0.00 WT1 O ATOM 12941 H1 TIP3 3663 59.596 12.948 50.325 1.00 0.00 WT1 H ATOM 12942 H2 TIP3 3663 58.088 12.848 50.239 1.00 0.00 WT1 H ATOM 12943 OH2 TIP3 3664 35.903 5.710 14.587 1.00 0.00 WT1 O ATOM 12944 H1 TIP3 3664 34.959 5.560 14.639 1.00 0.00 WT1 H ATOM 12945 H2 TIP3 3664 36.094 6.298 15.317 1.00 0.00 WT1 H ATOM 12946 OH2 TIP3 3665 52.635 44.017 50.702 1.00 0.00 WT1 O ATOM 12947 H1 TIP3 3665 52.554 43.723 49.795 1.00 0.00 WT1 H ATOM 12948 H2 TIP3 3665 52.049 43.443 51.194 1.00 0.00 WT1 H ATOM 12949 OH2 TIP3 3666 87.653 29.176 -7.184 1.00 0.00 WT1 O ATOM 12950 H1 TIP3 3666 86.729 28.962 -7.056 1.00 0.00 WT1 H ATOM 12951 H2 TIP3 3666 87.967 28.522 -7.809 1.00 0.00 WT1 H ATOM 12952 OH2 TIP3 3668 87.275 10.029 8.387 1.00 0.00 WT1 O ATOM 12953 H1 TIP3 3668 86.773 9.834 7.596 1.00 0.00 WT1 H ATOM 12954 H2 TIP3 3668 87.869 10.733 8.127 1.00 0.00 WT1 H ATOM 12955 OH2 TIP3 3669 77.876 90.746 2.198 1.00 0.00 WT1 O ATOM 12956 H1 TIP3 3669 78.610 91.358 2.243 1.00 0.00 WT1 H ATOM 12957 H2 TIP3 3669 77.486 90.901 1.338 1.00 0.00 WT1 H ATOM 12958 OH2 TIP3 3670 89.563 93.464 47.691 1.00 0.00 WT1 O ATOM 12959 H1 TIP3 3670 88.723 93.853 47.449 1.00 0.00 WT1 H ATOM 12960 H2 TIP3 3670 89.352 92.858 48.401 1.00 0.00 WT1 H ATOM 12961 OH2 TIP3 3672 48.292 21.257 34.814 1.00 0.00 WT1 O ATOM 12962 H1 TIP3 3672 47.811 21.950 34.361 1.00 0.00 WT1 H ATOM 12963 H2 TIP3 3672 48.873 20.892 34.146 1.00 0.00 WT1 H ATOM 12964 OH2 TIP3 3673 84.653 78.708 -11.162 1.00 0.00 WT1 O ATOM 12965 H1 TIP3 3673 84.315 78.621 -10.270 1.00 0.00 WT1 H ATOM 12966 H2 TIP3 3673 84.081 79.356 -11.573 1.00 0.00 WT1 H ATOM 12967 OH2 TIP3 3674 51.185 78.589 9.704 1.00 0.00 WT1 O ATOM 12968 H1 TIP3 3674 50.432 78.033 9.905 1.00 0.00 WT1 H ATOM 12969 H2 TIP3 3674 51.936 77.996 9.732 1.00 0.00 WT1 H ATOM 12970 OH2 TIP3 3675 81.557 7.452 58.489 1.00 0.00 WT1 O ATOM 12971 H1 TIP3 3675 80.696 7.756 58.774 1.00 0.00 WT1 H ATOM 12972 H2 TIP3 3675 82.024 7.256 59.302 1.00 0.00 WT1 H ATOM 12973 OH2 TIP3 3676 62.743 11.569 4.920 1.00 0.00 WT1 O ATOM 12974 H1 TIP3 3676 61.800 11.492 5.064 1.00 0.00 WT1 H ATOM 12975 H2 TIP3 3676 62.895 12.509 4.823 1.00 0.00 WT1 H ATOM 12976 OH2 TIP3 3677 75.990 27.654 46.526 1.00 0.00 WT1 O ATOM 12977 H1 TIP3 3677 76.649 28.186 46.080 1.00 0.00 WT1 H ATOM 12978 H2 TIP3 3677 75.549 27.179 45.822 1.00 0.00 WT1 H ATOM 12979 OH2 TIP3 3678 75.815 23.478 1.552 1.00 0.00 WT1 O ATOM 12980 H1 TIP3 3678 76.541 23.956 1.151 1.00 0.00 WT1 H ATOM 12981 H2 TIP3 3678 76.079 22.559 1.507 1.00 0.00 WT1 H ATOM 12982 OH2 TIP3 3679 68.306 92.343 31.506 1.00 0.00 WT1 O ATOM 12983 H1 TIP3 3679 68.241 91.864 30.680 1.00 0.00 WT1 H ATOM 12984 H2 TIP3 3679 67.398 92.529 31.746 1.00 0.00 WT1 H ATOM 12985 OH2 TIP3 3680 66.249 11.741 8.454 1.00 0.00 WT1 O ATOM 12986 H1 TIP3 3680 66.884 12.000 9.121 1.00 0.00 WT1 H ATOM 12987 H2 TIP3 3680 65.490 11.436 8.951 1.00 0.00 WT1 H ATOM 12988 OH2 TIP3 3681 48.880 2.511 42.090 1.00 0.00 WT1 O ATOM 12989 H1 TIP3 3681 48.096 2.493 41.540 1.00 0.00 WT1 H ATOM 12990 H2 TIP3 3681 49.414 1.784 41.771 1.00 0.00 WT1 H ATOM 12991 OH2 TIP3 3682 41.231 18.183 24.846 1.00 0.00 WT1 O ATOM 12992 H1 TIP3 3682 41.437 17.695 25.643 1.00 0.00 WT1 H ATOM 12993 H2 TIP3 3682 42.061 18.228 24.371 1.00 0.00 WT1 H ATOM 12994 OH2 TIP3 3683 25.320 25.931 -5.462 1.00 0.00 WT1 O ATOM 12995 H1 TIP3 3683 25.963 26.493 -5.895 1.00 0.00 WT1 H ATOM 12996 H2 TIP3 3683 25.726 25.064 -5.454 1.00 0.00 WT1 H ATOM 12997 OH2 TIP3 3685 87.367 51.936 -8.526 1.00 0.00 WT1 O ATOM 12998 H1 TIP3 3685 87.643 52.209 -9.400 1.00 0.00 WT1 H ATOM 12999 H2 TIP3 3685 86.668 52.547 -8.293 1.00 0.00 WT1 H ATOM 13000 OH2 TIP3 3686 75.509 23.263 14.877 1.00 0.00 WT1 O ATOM 13001 H1 TIP3 3686 76.244 23.864 14.751 1.00 0.00 WT1 H ATOM 13002 H2 TIP3 3686 75.365 23.254 15.823 1.00 0.00 WT1 H ATOM 13003 OH2 TIP3 3687 76.468 32.994 50.921 1.00 0.00 WT1 O ATOM 13004 H1 TIP3 3687 76.238 32.119 50.607 1.00 0.00 WT1 H ATOM 13005 H2 TIP3 3687 77.064 33.339 50.256 1.00 0.00 WT1 H ATOM 13006 OH2 TIP3 3689 79.240 38.349 19.531 1.00 0.00 WT1 O ATOM 13007 H1 TIP3 3689 79.426 39.265 19.739 1.00 0.00 WT1 H ATOM 13008 H2 TIP3 3689 78.329 38.350 19.237 1.00 0.00 WT1 H ATOM 13009 OH2 TIP3 3691 81.495 44.504 47.002 1.00 0.00 WT1 O ATOM 13010 H1 TIP3 3691 81.467 44.666 47.945 1.00 0.00 WT1 H ATOM 13011 H2 TIP3 3691 82.290 44.946 46.706 1.00 0.00 WT1 H ATOM 13012 OH2 TIP3 3692 43.703 74.433 -18.192 1.00 0.00 WT1 O ATOM 13013 H1 TIP3 3692 43.546 75.171 -18.781 1.00 0.00 WT1 H ATOM 13014 H2 TIP3 3692 44.579 74.124 -18.422 1.00 0.00 WT1 H ATOM 13015 OH2 TIP3 3693 54.397 10.984 61.531 1.00 0.00 WT1 O ATOM 13016 H1 TIP3 3693 53.484 10.789 61.321 1.00 0.00 WT1 H ATOM 13017 H2 TIP3 3693 54.887 10.239 61.183 1.00 0.00 WT1 H ATOM 13018 OH2 TIP3 3694 26.222 3.265 -5.104 1.00 0.00 WT1 O ATOM 13019 H1 TIP3 3694 26.186 4.113 -5.546 1.00 0.00 WT1 H ATOM 13020 H2 TIP3 3694 25.305 3.015 -4.991 1.00 0.00 WT1 H ATOM 13021 OH2 TIP3 3695 62.196 49.365 -9.610 1.00 0.00 WT1 O ATOM 13022 H1 TIP3 3695 62.329 49.950 -8.864 1.00 0.00 WT1 H ATOM 13023 H2 TIP3 3695 61.250 49.367 -9.752 1.00 0.00 WT1 H ATOM 13024 OH2 TIP3 3696 44.078 5.789 59.645 1.00 0.00 WT1 O ATOM 13025 H1 TIP3 3696 43.152 6.009 59.551 1.00 0.00 WT1 H ATOM 13026 H2 TIP3 3696 44.098 5.124 60.332 1.00 0.00 WT1 H ATOM 13027 OH2 TIP3 3697 67.046 19.052 35.524 1.00 0.00 WT1 O ATOM 13028 H1 TIP3 3697 67.290 18.132 35.624 1.00 0.00 WT1 H ATOM 13029 H2 TIP3 3697 67.878 19.508 35.397 1.00 0.00 WT1 H ATOM 13030 OH2 TIP3 3698 37.577 41.941 37.660 1.00 0.00 WT1 O ATOM 13031 H1 TIP3 3698 36.848 42.520 37.884 1.00 0.00 WT1 H ATOM 13032 H2 TIP3 3698 38.222 42.516 37.249 1.00 0.00 WT1 H ATOM 13033 OH2 TIP3 3699 89.496 16.743 40.137 1.00 0.00 WT1 O ATOM 13034 H1 TIP3 3699 88.741 17.157 39.719 1.00 0.00 WT1 H ATOM 13035 H2 TIP3 3699 89.165 15.901 40.452 1.00 0.00 WT1 H ATOM 13036 OH2 TIP3 3700 21.656 69.138 -6.114 1.00 0.00 WT1 O ATOM 13037 H1 TIP3 3700 21.788 68.978 -7.048 1.00 0.00 WT1 H ATOM 13038 H2 TIP3 3700 20.747 68.884 -5.953 1.00 0.00 WT1 H ATOM 13039 OH2 TIP3 3701 58.729 24.288 10.565 1.00 0.00 WT1 O ATOM 13040 H1 TIP3 3701 58.082 23.604 10.393 1.00 0.00 WT1 H ATOM 13041 H2 TIP3 3701 58.247 24.958 11.049 1.00 0.00 WT1 H ATOM 13042 OH2 TIP3 3702 56.391 12.592 58.581 1.00 0.00 WT1 O ATOM 13043 H1 TIP3 3702 56.202 11.953 59.268 1.00 0.00 WT1 H ATOM 13044 H2 TIP3 3702 55.544 12.759 58.168 1.00 0.00 WT1 H ATOM 13045 OH2 TIP3 3703 68.567 20.823 28.015 1.00 0.00 WT1 O ATOM 13046 H1 TIP3 3703 68.117 20.210 27.432 1.00 0.00 WT1 H ATOM 13047 H2 TIP3 3703 68.490 21.670 27.577 1.00 0.00 WT1 H ATOM 13048 OH2 TIP3 3704 63.427 27.742 2.104 1.00 0.00 WT1 O ATOM 13049 H1 TIP3 3704 62.922 26.936 1.995 1.00 0.00 WT1 H ATOM 13050 H2 TIP3 3704 63.086 28.133 2.908 1.00 0.00 WT1 H ATOM 13051 OH2 TIP3 3705 75.141 46.627 23.107 1.00 0.00 WT1 O ATOM 13052 H1 TIP3 3705 74.335 47.141 23.153 1.00 0.00 WT1 H ATOM 13053 H2 TIP3 3705 75.660 47.054 22.425 1.00 0.00 WT1 H ATOM 13054 OH2 TIP3 3706 33.595 4.509 26.033 1.00 0.00 WT1 O ATOM 13055 H1 TIP3 3706 32.872 4.300 25.442 1.00 0.00 WT1 H ATOM 13056 H2 TIP3 3706 34.345 4.037 25.672 1.00 0.00 WT1 H ATOM 13057 OH2 TIP3 3708 85.771 4.007 0.639 1.00 0.00 WT1 O ATOM 13058 H1 TIP3 3708 85.193 3.321 0.971 1.00 0.00 WT1 H ATOM 13059 H2 TIP3 3708 86.641 3.761 0.953 1.00 0.00 WT1 H ATOM 13060 OH2 TIP3 3710 84.101 6.700 41.474 1.00 0.00 WT1 O ATOM 13061 H1 TIP3 3710 83.241 7.105 41.579 1.00 0.00 WT1 H ATOM 13062 H2 TIP3 3710 84.034 6.201 40.659 1.00 0.00 WT1 H ATOM 13063 OH2 TIP3 3711 43.308 49.231 51.193 1.00 0.00 WT1 O ATOM 13064 H1 TIP3 3711 44.206 49.507 51.375 1.00 0.00 WT1 H ATOM 13065 H2 TIP3 3711 43.169 48.474 51.763 1.00 0.00 WT1 H ATOM 13066 OH2 TIP3 3712 61.878 4.661 54.106 1.00 0.00 WT1 O ATOM 13067 H1 TIP3 3712 62.304 5.208 53.445 1.00 0.00 WT1 H ATOM 13068 H2 TIP3 3712 62.226 4.977 54.940 1.00 0.00 WT1 H ATOM 13069 OH2 TIP3 3715 29.898 7.565 3.898 1.00 0.00 WT1 O ATOM 13070 H1 TIP3 3715 29.273 7.857 3.235 1.00 0.00 WT1 H ATOM 13071 H2 TIP3 3715 29.368 7.082 4.531 1.00 0.00 WT1 H ATOM 13072 OH2 TIP3 3717 38.882 67.703 -9.579 1.00 0.00 WT1 O ATOM 13073 H1 TIP3 3717 39.017 66.849 -9.169 1.00 0.00 WT1 H ATOM 13074 H2 TIP3 3717 38.289 68.163 -8.985 1.00 0.00 WT1 H ATOM 13075 OH2 TIP3 3718 39.855 71.941 1.148 1.00 0.00 WT1 O ATOM 13076 H1 TIP3 3718 40.058 71.647 2.035 1.00 0.00 WT1 H ATOM 13077 H2 TIP3 3718 40.259 71.285 0.579 1.00 0.00 WT1 H ATOM 13078 OH2 TIP3 3719 38.109 31.405 0.195 1.00 0.00 WT1 O ATOM 13079 H1 TIP3 3719 38.326 30.838 -0.545 1.00 0.00 WT1 H ATOM 13080 H2 TIP3 3719 38.211 32.294 -0.145 1.00 0.00 WT1 H ATOM 13081 OH2 TIP3 3720 81.203 16.880 0.414 1.00 0.00 WT1 O ATOM 13082 H1 TIP3 3720 81.238 17.836 0.395 1.00 0.00 WT1 H ATOM 13083 H2 TIP3 3720 81.528 16.645 1.283 1.00 0.00 WT1 H ATOM 13084 OH2 TIP3 3721 62.300 44.473 40.484 1.00 0.00 WT1 O ATOM 13085 H1 TIP3 3721 63.142 44.622 40.053 1.00 0.00 WT1 H ATOM 13086 H2 TIP3 3721 61.694 44.286 39.767 1.00 0.00 WT1 H ATOM 13087 OH2 TIP3 3722 32.112 75.522 61.343 1.00 0.00 WT1 O ATOM 13088 H1 TIP3 3722 32.139 75.844 62.244 1.00 0.00 WT1 H ATOM 13089 H2 TIP3 3722 32.830 74.891 61.292 1.00 0.00 WT1 H ATOM 13090 OH2 TIP3 3723 59.599 8.012 20.208 1.00 0.00 WT1 O ATOM 13091 H1 TIP3 3723 60.536 8.155 20.078 1.00 0.00 WT1 H ATOM 13092 H2 TIP3 3723 59.274 8.844 20.552 1.00 0.00 WT1 H ATOM 13093 OH2 TIP3 3724 37.691 15.993 21.003 1.00 0.00 WT1 O ATOM 13094 H1 TIP3 3724 38.060 16.876 21.036 1.00 0.00 WT1 H ATOM 13095 H2 TIP3 3724 36.922 16.075 20.438 1.00 0.00 WT1 H ATOM 13096 OH2 TIP3 3727 86.251 35.357 18.784 1.00 0.00 WT1 O ATOM 13097 H1 TIP3 3727 86.985 35.033 18.262 1.00 0.00 WT1 H ATOM 13098 H2 TIP3 3727 85.574 34.687 18.689 1.00 0.00 WT1 H ATOM 13099 OH2 TIP3 3728 52.966 36.532 -2.138 1.00 0.00 WT1 O ATOM 13100 H1 TIP3 3728 52.950 37.075 -1.350 1.00 0.00 WT1 H ATOM 13101 H2 TIP3 3728 52.044 36.352 -2.325 1.00 0.00 WT1 H ATOM 13102 OH2 TIP3 3729 41.970 55.805 47.951 1.00 0.00 WT1 O ATOM 13103 H1 TIP3 3729 42.679 56.446 47.901 1.00 0.00 WT1 H ATOM 13104 H2 TIP3 3729 41.506 55.894 47.118 1.00 0.00 WT1 H ATOM 13105 OH2 TIP3 3732 77.805 93.446 -3.466 1.00 0.00 WT1 O ATOM 13106 H1 TIP3 3732 77.343 94.207 -3.115 1.00 0.00 WT1 H ATOM 13107 H2 TIP3 3732 77.207 93.083 -4.119 1.00 0.00 WT1 H ATOM 13108 OH2 TIP3 3735 39.809 42.967 36.253 1.00 0.00 WT1 O ATOM 13109 H1 TIP3 3735 40.275 42.578 35.513 1.00 0.00 WT1 H ATOM 13110 H2 TIP3 3735 40.492 43.395 36.769 1.00 0.00 WT1 H ATOM 13111 OH2 TIP3 3736 39.610 86.762 22.888 1.00 0.00 WT1 O ATOM 13112 H1 TIP3 3736 40.191 86.440 22.200 1.00 0.00 WT1 H ATOM 13113 H2 TIP3 3736 39.257 87.581 22.541 1.00 0.00 WT1 H ATOM 13114 OH2 TIP3 3737 89.240 16.820 -8.956 1.00 0.00 WT1 O ATOM 13115 H1 TIP3 3737 89.726 16.742 -9.776 1.00 0.00 WT1 H ATOM 13116 H2 TIP3 3737 89.915 16.844 -8.278 1.00 0.00 WT1 H ATOM 13117 OH2 TIP3 3738 29.756 6.774 63.721 1.00 0.00 WT1 O ATOM 13118 H1 TIP3 3738 29.855 5.829 63.606 1.00 0.00 WT1 H ATOM 13119 H2 TIP3 3738 28.978 6.998 63.211 1.00 0.00 WT1 H ATOM 13120 OH2 TIP3 3739 54.394 26.771 45.089 1.00 0.00 WT1 O ATOM 13121 H1 TIP3 3739 55.053 26.678 44.401 1.00 0.00 WT1 H ATOM 13122 H2 TIP3 3739 54.872 27.143 45.830 1.00 0.00 WT1 H ATOM 13123 OH2 TIP3 3740 37.876 69.304 26.147 1.00 0.00 WT1 O ATOM 13124 H1 TIP3 3740 38.298 68.944 25.367 1.00 0.00 WT1 H ATOM 13125 H2 TIP3 3740 38.600 69.630 26.682 1.00 0.00 WT1 H ATOM 13126 OH2 TIP3 3741 66.191 70.590 48.680 1.00 0.00 WT1 O ATOM 13127 H1 TIP3 3741 66.525 71.222 49.316 1.00 0.00 WT1 H ATOM 13128 H2 TIP3 3741 65.470 71.045 48.246 1.00 0.00 WT1 H ATOM 13129 OH2 TIP3 3742 61.894 35.493 56.378 1.00 0.00 WT1 O ATOM 13130 H1 TIP3 3742 61.319 34.780 56.656 1.00 0.00 WT1 H ATOM 13131 H2 TIP3 3742 61.325 36.083 55.884 1.00 0.00 WT1 H ATOM 13132 OH2 TIP3 3743 86.615 73.358 -9.322 1.00 0.00 WT1 O ATOM 13133 H1 TIP3 3743 86.010 74.048 -9.048 1.00 0.00 WT1 H ATOM 13134 H2 TIP3 3743 87.143 73.179 -8.543 1.00 0.00 WT1 H ATOM 13135 OH2 TIP3 3744 86.765 62.790 15.751 1.00 0.00 WT1 O ATOM 13136 H1 TIP3 3744 86.398 62.321 15.002 1.00 0.00 WT1 H ATOM 13137 H2 TIP3 3744 87.264 63.509 15.363 1.00 0.00 WT1 H ATOM 13138 OH2 TIP3 3745 30.706 23.180 63.906 1.00 0.00 WT1 O ATOM 13139 H1 TIP3 3745 30.472 23.253 64.831 1.00 0.00 WT1 H ATOM 13140 H2 TIP3 3745 30.956 24.068 63.650 1.00 0.00 WT1 H ATOM 13141 OH2 TIP3 3746 66.664 93.815 58.704 1.00 0.00 WT1 O ATOM 13142 H1 TIP3 3746 67.442 93.921 59.252 1.00 0.00 WT1 H ATOM 13143 H2 TIP3 3746 66.461 92.881 58.753 1.00 0.00 WT1 H ATOM 13144 OH2 TIP3 3747 39.741 63.566 10.904 1.00 0.00 WT1 O ATOM 13145 H1 TIP3 3747 40.388 63.085 11.419 1.00 0.00 WT1 H ATOM 13146 H2 TIP3 3747 40.128 63.629 10.031 1.00 0.00 WT1 H ATOM 13147 OH2 TIP3 3750 76.109 74.875 17.213 1.00 0.00 WT1 O ATOM 13148 H1 TIP3 3750 75.435 75.057 17.868 1.00 0.00 WT1 H ATOM 13149 H2 TIP3 3750 75.621 74.592 16.440 1.00 0.00 WT1 H ATOM 13150 OH2 TIP3 3751 31.082 30.639 -4.572 1.00 0.00 WT1 O ATOM 13151 H1 TIP3 3751 31.511 30.787 -3.729 1.00 0.00 WT1 H ATOM 13152 H2 TIP3 3751 30.947 31.517 -4.929 1.00 0.00 WT1 H ATOM 13153 OH2 TIP3 3752 40.233 12.864 11.119 1.00 0.00 WT1 O ATOM 13154 H1 TIP3 3752 40.069 12.694 10.192 1.00 0.00 WT1 H ATOM 13155 H2 TIP3 3752 41.164 13.080 11.163 1.00 0.00 WT1 H ATOM 13156 OH2 TIP3 3753 74.247 34.806 43.760 1.00 0.00 WT1 O ATOM 13157 H1 TIP3 3753 74.730 35.519 44.178 1.00 0.00 WT1 H ATOM 13158 H2 TIP3 3753 74.258 34.099 44.406 1.00 0.00 WT1 H ATOM 13159 OH2 TIP3 3756 59.898 73.339 44.037 1.00 0.00 WT1 O ATOM 13160 H1 TIP3 3756 58.998 73.429 44.351 1.00 0.00 WT1 H ATOM 13161 H2 TIP3 3756 60.350 74.110 44.380 1.00 0.00 WT1 H ATOM 13162 OH2 TIP3 3757 83.027 44.592 -14.395 1.00 0.00 WT1 O ATOM 13163 H1 TIP3 3757 82.345 44.009 -14.728 1.00 0.00 WT1 H ATOM 13164 H2 TIP3 3757 83.268 45.133 -15.147 1.00 0.00 WT1 H ATOM 13165 OH2 TIP3 3758 67.061 8.421 10.175 1.00 0.00 WT1 O ATOM 13166 H1 TIP3 3758 66.568 7.643 9.914 1.00 0.00 WT1 H ATOM 13167 H2 TIP3 3758 67.417 8.202 11.036 1.00 0.00 WT1 H ATOM 13168 OH2 TIP3 3759 61.358 80.736 -12.732 1.00 0.00 WT1 O ATOM 13169 H1 TIP3 3759 61.935 80.939 -13.467 1.00 0.00 WT1 H ATOM 13170 H2 TIP3 3759 61.749 81.193 -11.987 1.00 0.00 WT1 H ATOM 13171 OH2 TIP3 3760 41.313 29.312 -13.023 1.00 0.00 WT1 O ATOM 13172 H1 TIP3 3760 42.154 29.022 -12.668 1.00 0.00 WT1 H ATOM 13173 H2 TIP3 3760 41.535 30.046 -13.596 1.00 0.00 WT1 H ATOM 13174 OH2 TIP3 3761 32.044 38.495 15.117 1.00 0.00 WT1 O ATOM 13175 H1 TIP3 3761 32.259 38.714 14.210 1.00 0.00 WT1 H ATOM 13176 H2 TIP3 3761 32.137 39.320 15.592 1.00 0.00 WT1 H ATOM 13177 OH2 TIP3 3762 29.594 85.882 -9.512 1.00 0.00 WT1 O ATOM 13178 H1 TIP3 3762 28.777 86.311 -9.764 1.00 0.00 WT1 H ATOM 13179 H2 TIP3 3762 30.160 85.975 -10.278 1.00 0.00 WT1 H ATOM 13180 OH2 TIP3 3763 37.051 86.325 45.169 1.00 0.00 WT1 O ATOM 13181 H1 TIP3 3763 37.047 86.016 46.075 1.00 0.00 WT1 H ATOM 13182 H2 TIP3 3763 36.184 86.711 45.044 1.00 0.00 WT1 H ATOM 13183 OH2 TIP3 3764 45.465 12.638 -4.234 1.00 0.00 WT1 O ATOM 13184 H1 TIP3 3764 44.759 12.928 -4.812 1.00 0.00 WT1 H ATOM 13185 H2 TIP3 3764 45.720 13.424 -3.752 1.00 0.00 WT1 H ATOM 13186 OH2 TIP3 3765 23.160 25.623 -7.096 1.00 0.00 WT1 O ATOM 13187 H1 TIP3 3765 23.626 25.782 -6.274 1.00 0.00 WT1 H ATOM 13188 H2 TIP3 3765 23.622 26.158 -7.741 1.00 0.00 WT1 H ATOM 13189 OH2 TIP3 3768 39.466 65.576 28.088 1.00 0.00 WT1 O ATOM 13190 H1 TIP3 3768 39.061 64.745 27.839 1.00 0.00 WT1 H ATOM 13191 H2 TIP3 3768 40.389 65.362 28.224 1.00 0.00 WT1 H ATOM 13192 OH2 TIP3 3770 55.879 15.143 -3.941 1.00 0.00 WT1 O ATOM 13193 H1 TIP3 3770 56.718 14.951 -3.522 1.00 0.00 WT1 H ATOM 13194 H2 TIP3 3770 55.513 15.863 -3.428 1.00 0.00 WT1 H ATOM 13195 OH2 TIP3 3775 90.495 33.166 65.294 1.00 0.00 WT1 O ATOM 13196 H1 TIP3 3775 89.902 33.896 65.474 1.00 0.00 WT1 H ATOM 13197 H2 TIP3 3775 90.747 32.843 66.158 1.00 0.00 WT1 H ATOM 13198 OH2 TIP3 3776 63.529 56.774 -1.812 1.00 0.00 WT1 O ATOM 13199 H1 TIP3 3776 64.346 56.330 -1.582 1.00 0.00 WT1 H ATOM 13200 H2 TIP3 3776 62.939 56.582 -1.083 1.00 0.00 WT1 H ATOM 13201 OH2 TIP3 3777 59.386 72.838 49.256 1.00 0.00 WT1 O ATOM 13202 H1 TIP3 3777 59.754 72.425 48.475 1.00 0.00 WT1 H ATOM 13203 H2 TIP3 3777 59.504 72.188 49.949 1.00 0.00 WT1 H ATOM 13204 OH2 TIP3 3779 60.937 15.732 60.443 1.00 0.00 WT1 O ATOM 13205 H1 TIP3 3779 60.952 15.700 61.400 1.00 0.00 WT1 H ATOM 13206 H2 TIP3 3779 61.226 14.862 60.169 1.00 0.00 WT1 H ATOM 13207 OH2 TIP3 3780 47.773 50.904 -14.450 1.00 0.00 WT1 O ATOM 13208 H1 TIP3 3780 48.411 51.594 -14.267 1.00 0.00 WT1 H ATOM 13209 H2 TIP3 3780 47.132 50.976 -13.743 1.00 0.00 WT1 H ATOM 13210 OH2 TIP3 3781 30.309 57.618 47.576 1.00 0.00 WT1 O ATOM 13211 H1 TIP3 3781 30.529 57.190 48.403 1.00 0.00 WT1 H ATOM 13212 H2 TIP3 3781 29.902 56.930 47.051 1.00 0.00 WT1 H ATOM 13213 OH2 TIP3 3782 76.486 28.689 16.468 1.00 0.00 WT1 O ATOM 13214 H1 TIP3 3782 76.616 28.227 17.296 1.00 0.00 WT1 H ATOM 13215 H2 TIP3 3782 76.252 29.581 16.726 1.00 0.00 WT1 H ATOM 13216 OH2 TIP3 3783 22.721 28.773 15.979 1.00 0.00 WT1 O ATOM 13217 H1 TIP3 3783 22.128 28.074 16.256 1.00 0.00 WT1 H ATOM 13218 H2 TIP3 3783 22.954 29.226 16.789 1.00 0.00 WT1 H ATOM 13219 OH2 TIP3 3784 80.831 46.631 28.871 1.00 0.00 WT1 O ATOM 13220 H1 TIP3 3784 79.971 46.313 29.145 1.00 0.00 WT1 H ATOM 13221 H2 TIP3 3784 80.770 47.583 28.946 1.00 0.00 WT1 H ATOM 13222 OH2 TIP3 3785 85.059 6.785 0.639 1.00 0.00 WT1 O ATOM 13223 H1 TIP3 3785 85.331 6.821 -0.278 1.00 0.00 WT1 H ATOM 13224 H2 TIP3 3785 84.877 5.859 0.800 1.00 0.00 WT1 H ATOM 13225 OH2 TIP3 3786 74.123 7.676 47.038 1.00 0.00 WT1 O ATOM 13226 H1 TIP3 3786 74.637 7.213 46.377 1.00 0.00 WT1 H ATOM 13227 H2 TIP3 3786 73.397 7.084 47.235 1.00 0.00 WT1 H ATOM 13228 OH2 TIP3 3788 63.943 11.282 9.508 1.00 0.00 WT1 O ATOM 13229 H1 TIP3 3788 63.127 11.782 9.520 1.00 0.00 WT1 H ATOM 13230 H2 TIP3 3788 64.027 10.938 10.398 1.00 0.00 WT1 H ATOM 13231 OH2 TIP3 3789 47.859 11.351 65.112 1.00 0.00 WT1 O ATOM 13232 H1 TIP3 3789 48.733 11.326 65.503 1.00 0.00 WT1 H ATOM 13233 H2 TIP3 3789 47.645 12.283 65.063 1.00 0.00 WT1 H ATOM 13234 OH2 TIP3 3790 39.409 24.219 16.198 1.00 0.00 WT1 O ATOM 13235 H1 TIP3 3790 40.189 24.595 15.790 1.00 0.00 WT1 H ATOM 13236 H2 TIP3 3790 39.222 23.435 15.681 1.00 0.00 WT1 H ATOM 13237 OH2 TIP3 3795 83.434 10.187 65.255 1.00 0.00 WT1 O ATOM 13238 H1 TIP3 3795 83.030 9.320 65.306 1.00 0.00 WT1 H ATOM 13239 H2 TIP3 3795 83.457 10.385 64.319 1.00 0.00 WT1 H ATOM 13240 OH2 TIP3 3796 50.098 72.929 23.596 1.00 0.00 WT1 O ATOM 13241 H1 TIP3 3796 49.398 73.570 23.718 1.00 0.00 WT1 H ATOM 13242 H2 TIP3 3796 49.712 72.254 23.039 1.00 0.00 WT1 H ATOM 13243 OH2 TIP3 3797 76.370 25.308 30.711 1.00 0.00 WT1 O ATOM 13244 H1 TIP3 3797 76.913 25.901 31.231 1.00 0.00 WT1 H ATOM 13245 H2 TIP3 3797 76.656 25.451 29.809 1.00 0.00 WT1 H ATOM 13246 OH2 TIP3 3798 68.428 73.289 61.066 1.00 0.00 WT1 O ATOM 13247 H1 TIP3 3798 69.161 73.213 60.455 1.00 0.00 WT1 H ATOM 13248 H2 TIP3 3798 68.207 74.220 61.062 1.00 0.00 WT1 H ATOM 13249 OH2 TIP3 3800 68.678 15.900 49.844 1.00 0.00 WT1 O ATOM 13250 H1 TIP3 3800 69.577 16.185 50.008 1.00 0.00 WT1 H ATOM 13251 H2 TIP3 3800 68.549 16.040 48.906 1.00 0.00 WT1 H ATOM 13252 OH2 TIP3 3801 50.919 22.975 -2.004 1.00 0.00 WT1 O ATOM 13253 H1 TIP3 3801 51.749 23.369 -2.269 1.00 0.00 WT1 H ATOM 13254 H2 TIP3 3801 50.480 23.658 -1.497 1.00 0.00 WT1 H ATOM 13255 OH2 TIP3 3802 61.411 34.238 9.242 1.00 0.00 WT1 O ATOM 13256 H1 TIP3 3802 60.667 34.032 9.809 1.00 0.00 WT1 H ATOM 13257 H2 TIP3 3802 61.768 35.051 9.601 1.00 0.00 WT1 H ATOM 13258 OH2 TIP3 3803 78.839 86.113 25.423 1.00 0.00 WT1 O ATOM 13259 H1 TIP3 3803 79.575 85.639 25.035 1.00 0.00 WT1 H ATOM 13260 H2 TIP3 3803 79.141 87.019 25.480 1.00 0.00 WT1 H ATOM 13261 OH2 TIP3 3804 43.842 57.890 12.789 1.00 0.00 WT1 O ATOM 13262 H1 TIP3 3804 44.729 58.113 13.072 1.00 0.00 WT1 H ATOM 13263 H2 TIP3 3804 43.631 57.090 13.270 1.00 0.00 WT1 H ATOM 13264 OH2 TIP3 3805 67.440 80.407 63.307 1.00 0.00 WT1 O ATOM 13265 H1 TIP3 3805 67.487 80.826 62.448 1.00 0.00 WT1 H ATOM 13266 H2 TIP3 3805 68.072 79.689 63.259 1.00 0.00 WT1 H ATOM 13267 OH2 TIP3 3806 86.755 49.394 -7.952 1.00 0.00 WT1 O ATOM 13268 H1 TIP3 3806 86.751 50.349 -7.902 1.00 0.00 WT1 H ATOM 13269 H2 TIP3 3806 87.612 49.139 -7.611 1.00 0.00 WT1 H ATOM 13270 OH2 TIP3 3807 38.486 33.005 41.707 1.00 0.00 WT1 O ATOM 13271 H1 TIP3 3807 37.611 33.004 42.097 1.00 0.00 WT1 H ATOM 13272 H2 TIP3 3807 38.508 33.796 41.169 1.00 0.00 WT1 H ATOM 13273 OH2 TIP3 3808 45.742 8.020 19.808 1.00 0.00 WT1 O ATOM 13274 H1 TIP3 3808 45.935 8.320 18.920 1.00 0.00 WT1 H ATOM 13275 H2 TIP3 3808 46.256 7.218 19.907 1.00 0.00 WT1 H ATOM 13276 OH2 TIP3 3809 67.364 52.964 35.781 1.00 0.00 WT1 O ATOM 13277 H1 TIP3 3809 66.626 53.323 36.275 1.00 0.00 WT1 H ATOM 13278 H2 TIP3 3809 67.003 52.770 34.916 1.00 0.00 WT1 H ATOM 13279 OH2 TIP3 3810 32.589 45.551 -3.641 1.00 0.00 WT1 O ATOM 13280 H1 TIP3 3810 33.364 45.912 -3.212 1.00 0.00 WT1 H ATOM 13281 H2 TIP3 3810 32.084 46.318 -3.910 1.00 0.00 WT1 H ATOM 13282 OH2 TIP3 3811 68.000 3.097 14.386 1.00 0.00 WT1 O ATOM 13283 H1 TIP3 3811 67.505 2.903 15.182 1.00 0.00 WT1 H ATOM 13284 H2 TIP3 3811 68.736 2.486 14.406 1.00 0.00 WT1 H ATOM 13285 OH2 TIP3 3813 72.652 67.937 0.183 1.00 0.00 WT1 O ATOM 13286 H1 TIP3 3813 73.402 68.489 0.403 1.00 0.00 WT1 H ATOM 13287 H2 TIP3 3813 72.586 67.320 0.911 1.00 0.00 WT1 H ATOM 13288 OH2 TIP3 3818 49.283 14.909 16.140 1.00 0.00 WT1 O ATOM 13289 H1 TIP3 3818 48.761 15.674 16.382 1.00 0.00 WT1 H ATOM 13290 H2 TIP3 3818 50.165 15.254 16.002 1.00 0.00 WT1 H ATOM 13291 OH2 TIP3 3819 86.938 29.598 50.138 1.00 0.00 WT1 O ATOM 13292 H1 TIP3 3819 86.634 28.692 50.084 1.00 0.00 WT1 H ATOM 13293 H2 TIP3 3819 86.931 29.799 51.073 1.00 0.00 WT1 H ATOM 13294 OH2 TIP3 3820 21.487 82.581 -0.717 1.00 0.00 WT1 O ATOM 13295 H1 TIP3 3820 21.501 82.174 -1.583 1.00 0.00 WT1 H ATOM 13296 H2 TIP3 3820 22.323 83.045 -0.657 1.00 0.00 WT1 H ATOM 13297 OH2 TIP3 3821 38.541 82.332 35.222 1.00 0.00 WT1 O ATOM 13298 H1 TIP3 3821 39.088 82.531 34.462 1.00 0.00 WT1 H ATOM 13299 H2 TIP3 3821 37.884 81.719 34.891 1.00 0.00 WT1 H ATOM 13300 OH2 TIP3 3822 90.299 27.394 10.646 1.00 0.00 WT1 O ATOM 13301 H1 TIP3 3822 91.206 27.279 10.929 1.00 0.00 WT1 H ATOM 13302 H2 TIP3 3822 89.812 27.542 11.457 1.00 0.00 WT1 H ATOM 13303 OH2 TIP3 3823 80.942 30.092 -19.257 1.00 0.00 WT1 O ATOM 13304 H1 TIP3 3823 81.647 30.581 -19.681 1.00 0.00 WT1 H ATOM 13305 H2 TIP3 3823 80.173 30.654 -19.345 1.00 0.00 WT1 H ATOM 13306 OH2 TIP3 3825 32.114 38.625 -5.905 1.00 0.00 WT1 O ATOM 13307 H1 TIP3 3825 32.316 39.326 -5.286 1.00 0.00 WT1 H ATOM 13308 H2 TIP3 3825 31.302 38.240 -5.576 1.00 0.00 WT1 H ATOM 13309 OH2 TIP3 3826 55.092 68.351 -2.727 1.00 0.00 WT1 O ATOM 13310 H1 TIP3 3826 54.945 67.452 -2.432 1.00 0.00 WT1 H ATOM 13311 H2 TIP3 3826 55.231 68.849 -1.922 1.00 0.00 WT1 H ATOM 13312 OH2 TIP3 3827 69.952 25.409 35.667 1.00 0.00 WT1 O ATOM 13313 H1 TIP3 3827 69.358 25.985 36.149 1.00 0.00 WT1 H ATOM 13314 H2 TIP3 3827 70.425 25.994 35.075 1.00 0.00 WT1 H ATOM 13315 OH2 TIP3 3828 84.014 51.535 3.656 1.00 0.00 WT1 O ATOM 13316 H1 TIP3 3828 84.662 52.038 3.163 1.00 0.00 WT1 H ATOM 13317 H2 TIP3 3828 84.408 51.419 4.521 1.00 0.00 WT1 H ATOM 13318 OH2 TIP3 3829 49.481 57.867 2.251 1.00 0.00 WT1 O ATOM 13319 H1 TIP3 3829 49.351 58.809 2.363 1.00 0.00 WT1 H ATOM 13320 H2 TIP3 3829 50.373 57.709 2.559 1.00 0.00 WT1 H ATOM 13321 OH2 TIP3 3830 29.176 64.715 37.024 1.00 0.00 WT1 O ATOM 13322 H1 TIP3 3830 28.934 65.614 37.245 1.00 0.00 WT1 H ATOM 13323 H2 TIP3 3830 28.784 64.565 36.163 1.00 0.00 WT1 H ATOM 13324 OH2 TIP3 3832 40.936 76.872 29.433 1.00 0.00 WT1 O ATOM 13325 H1 TIP3 3832 40.368 76.543 30.130 1.00 0.00 WT1 H ATOM 13326 H2 TIP3 3832 41.811 76.883 29.821 1.00 0.00 WT1 H ATOM 13327 OH2 TIP3 3833 53.624 18.585 19.222 1.00 0.00 WT1 O ATOM 13328 H1 TIP3 3833 53.207 18.840 18.398 1.00 0.00 WT1 H ATOM 13329 H2 TIP3 3833 53.296 19.217 19.862 1.00 0.00 WT1 H ATOM 13330 OH2 TIP3 3836 84.366 89.061 14.182 1.00 0.00 WT1 O ATOM 13331 H1 TIP3 3836 85.281 88.891 14.404 1.00 0.00 WT1 H ATOM 13332 H2 TIP3 3836 83.890 88.306 14.526 1.00 0.00 WT1 H ATOM 13333 OH2 TIP3 3837 56.990 29.378 19.124 1.00 0.00 WT1 O ATOM 13334 H1 TIP3 3837 56.306 29.950 19.472 1.00 0.00 WT1 H ATOM 13335 H2 TIP3 3837 57.758 29.944 19.044 1.00 0.00 WT1 H ATOM 13336 OH2 TIP3 3839 28.424 55.879 49.558 1.00 0.00 WT1 O ATOM 13337 H1 TIP3 3839 29.101 56.059 50.210 1.00 0.00 WT1 H ATOM 13338 H2 TIP3 3839 28.155 54.977 49.733 1.00 0.00 WT1 H ATOM 13339 OH2 TIP3 3841 89.581 35.544 -5.509 1.00 0.00 WT1 O ATOM 13340 H1 TIP3 3841 89.127 34.705 -5.423 1.00 0.00 WT1 H ATOM 13341 H2 TIP3 3841 89.175 35.959 -6.270 1.00 0.00 WT1 H ATOM 13342 OH2 TIP3 3844 86.460 31.085 63.407 1.00 0.00 WT1 O ATOM 13343 H1 TIP3 3844 86.693 30.763 62.536 1.00 0.00 WT1 H ATOM 13344 H2 TIP3 3844 87.150 30.749 63.979 1.00 0.00 WT1 H ATOM 13345 OH2 TIP3 3845 45.179 59.128 0.179 1.00 0.00 WT1 O ATOM 13346 H1 TIP3 3845 45.471 58.584 0.910 1.00 0.00 WT1 H ATOM 13347 H2 TIP3 3845 45.265 60.026 0.498 1.00 0.00 WT1 H ATOM 13348 OH2 TIP3 3846 79.407 34.408 -5.734 1.00 0.00 WT1 O ATOM 13349 H1 TIP3 3846 78.679 33.787 -5.711 1.00 0.00 WT1 H ATOM 13350 H2 TIP3 3846 79.627 34.485 -6.662 1.00 0.00 WT1 H ATOM 13351 OH2 TIP3 3847 87.553 69.557 15.519 1.00 0.00 WT1 O ATOM 13352 H1 TIP3 3847 88.423 69.443 15.137 1.00 0.00 WT1 H ATOM 13353 H2 TIP3 3847 87.060 68.791 15.226 1.00 0.00 WT1 H ATOM 13354 OH2 TIP3 3848 21.460 80.778 30.322 1.00 0.00 WT1 O ATOM 13355 H1 TIP3 3848 21.549 79.879 30.003 1.00 0.00 WT1 H ATOM 13356 H2 TIP3 3848 21.492 81.317 29.532 1.00 0.00 WT1 H ATOM 13357 OH2 TIP3 3849 63.082 17.682 -5.990 1.00 0.00 WT1 O ATOM 13358 H1 TIP3 3849 63.096 18.633 -5.879 1.00 0.00 WT1 H ATOM 13359 H2 TIP3 3849 63.854 17.491 -6.522 1.00 0.00 WT1 H ATOM 13360 OH2 TIP3 3851 42.945 41.479 -5.406 1.00 0.00 WT1 O ATOM 13361 H1 TIP3 3851 43.836 41.509 -5.056 1.00 0.00 WT1 H ATOM 13362 H2 TIP3 3851 42.390 41.740 -4.672 1.00 0.00 WT1 H ATOM 13363 OH2 TIP3 3852 67.079 83.540 27.184 1.00 0.00 WT1 O ATOM 13364 H1 TIP3 3852 66.988 82.805 27.791 1.00 0.00 WT1 H ATOM 13365 H2 TIP3 3852 66.182 83.835 27.028 1.00 0.00 WT1 H ATOM 13366 OH2 TIP3 3853 84.528 20.965 66.197 1.00 0.00 WT1 O ATOM 13367 H1 TIP3 3853 85.118 21.458 66.767 1.00 0.00 WT1 H ATOM 13368 H2 TIP3 3853 84.496 20.090 66.583 1.00 0.00 WT1 H ATOM 13369 OH2 TIP3 3854 64.485 52.482 10.224 1.00 0.00 WT1 O ATOM 13370 H1 TIP3 3854 63.725 53.051 10.101 1.00 0.00 WT1 H ATOM 13371 H2 TIP3 3854 64.173 51.788 10.805 1.00 0.00 WT1 H ATOM 13372 OH2 TIP3 3856 31.992 40.969 66.568 1.00 0.00 WT1 O ATOM 13373 H1 TIP3 3856 32.515 41.768 66.496 1.00 0.00 WT1 H ATOM 13374 H2 TIP3 3856 32.105 40.689 67.476 1.00 0.00 WT1 H ATOM 13375 OH2 TIP3 3860 89.302 19.317 -6.976 1.00 0.00 WT1 O ATOM 13376 H1 TIP3 3860 88.995 19.534 -6.096 1.00 0.00 WT1 H ATOM 13377 H2 TIP3 3860 88.633 18.728 -7.325 1.00 0.00 WT1 H ATOM 13378 OH2 TIP3 3863 83.978 61.873 65.901 1.00 0.00 WT1 O ATOM 13379 H1 TIP3 3863 84.679 62.367 66.326 1.00 0.00 WT1 H ATOM 13380 H2 TIP3 3863 84.394 61.476 65.136 1.00 0.00 WT1 H ATOM 13381 OH2 TIP3 3865 46.275 54.244 -2.306 1.00 0.00 WT1 O ATOM 13382 H1 TIP3 3865 46.341 55.004 -1.728 1.00 0.00 WT1 H ATOM 13383 H2 TIP3 3865 45.335 54.083 -2.385 1.00 0.00 WT1 H ATOM 13384 OH2 TIP3 3866 85.687 63.353 55.248 1.00 0.00 WT1 O ATOM 13385 H1 TIP3 3866 85.706 62.468 55.610 1.00 0.00 WT1 H ATOM 13386 H2 TIP3 3866 84.865 63.726 55.566 1.00 0.00 WT1 H ATOM 13387 OH2 TIP3 3867 39.819 27.734 15.066 1.00 0.00 WT1 O ATOM 13388 H1 TIP3 3867 38.975 28.102 15.326 1.00 0.00 WT1 H ATOM 13389 H2 TIP3 3867 40.054 27.143 15.781 1.00 0.00 WT1 H ATOM 13390 OH2 TIP3 3868 75.729 70.699 1.388 1.00 0.00 WT1 O ATOM 13391 H1 TIP3 3868 76.091 69.903 1.777 1.00 0.00 WT1 H ATOM 13392 H2 TIP3 3868 74.920 70.412 0.965 1.00 0.00 WT1 H ATOM 13393 OH2 TIP3 3869 79.299 35.493 62.432 1.00 0.00 WT1 O ATOM 13394 H1 TIP3 3869 80.240 35.465 62.260 1.00 0.00 WT1 H ATOM 13395 H2 TIP3 3869 79.176 34.922 63.190 1.00 0.00 WT1 H ATOM 13396 OH2 TIP3 3870 22.451 49.194 -7.811 1.00 0.00 WT1 O ATOM 13397 H1 TIP3 3870 22.430 49.069 -8.760 1.00 0.00 WT1 H ATOM 13398 H2 TIP3 3870 23.046 48.516 -7.492 1.00 0.00 WT1 H ATOM 13399 OH2 TIP3 3871 69.864 84.624 3.721 1.00 0.00 WT1 O ATOM 13400 H1 TIP3 3871 70.051 83.773 3.324 1.00 0.00 WT1 H ATOM 13401 H2 TIP3 3871 69.690 84.427 4.641 1.00 0.00 WT1 H ATOM 13402 OH2 TIP3 3873 43.925 42.722 8.556 1.00 0.00 WT1 O ATOM 13403 H1 TIP3 3873 44.597 43.326 8.872 1.00 0.00 WT1 H ATOM 13404 H2 TIP3 3873 44.270 41.852 8.756 1.00 0.00 WT1 H ATOM 13405 OH2 TIP3 3875 64.315 54.980 19.525 1.00 0.00 WT1 O ATOM 13406 H1 TIP3 3875 64.396 54.340 20.232 1.00 0.00 WT1 H ATOM 13407 H2 TIP3 3875 63.538 54.703 19.039 1.00 0.00 WT1 H ATOM 13408 OH2 TIP3 3877 77.052 64.404 -2.973 1.00 0.00 WT1 O ATOM 13409 H1 TIP3 3877 76.381 65.040 -2.725 1.00 0.00 WT1 H ATOM 13410 H2 TIP3 3877 77.067 63.776 -2.250 1.00 0.00 WT1 H ATOM 13411 OH2 TIP3 3882 38.935 63.544 -6.799 1.00 0.00 WT1 O ATOM 13412 H1 TIP3 3882 39.211 63.725 -5.900 1.00 0.00 WT1 H ATOM 13413 H2 TIP3 3882 39.102 62.609 -6.918 1.00 0.00 WT1 H ATOM 13414 OH2 TIP3 3883 56.489 91.402 -14.063 1.00 0.00 WT1 O ATOM 13415 H1 TIP3 3883 55.606 91.254 -13.724 1.00 0.00 WT1 H ATOM 13416 H2 TIP3 3883 56.555 90.824 -14.823 1.00 0.00 WT1 H ATOM 13417 OH2 TIP3 3885 49.311 18.272 55.532 1.00 0.00 WT1 O ATOM 13418 H1 TIP3 3885 50.222 18.016 55.674 1.00 0.00 WT1 H ATOM 13419 H2 TIP3 3885 48.799 17.554 55.904 1.00 0.00 WT1 H ATOM 13420 OH2 TIP3 3886 57.383 30.638 -4.939 1.00 0.00 WT1 O ATOM 13421 H1 TIP3 3886 56.655 31.259 -4.924 1.00 0.00 WT1 H ATOM 13422 H2 TIP3 3886 58.143 31.153 -4.670 1.00 0.00 WT1 H ATOM 13423 OH2 TIP3 3888 56.284 45.315 -6.950 1.00 0.00 WT1 O ATOM 13424 H1 TIP3 3888 56.275 44.550 -6.374 1.00 0.00 WT1 H ATOM 13425 H2 TIP3 3888 56.110 46.055 -6.368 1.00 0.00 WT1 H ATOM 13426 OH2 TIP3 3889 25.508 89.398 -4.234 1.00 0.00 WT1 O ATOM 13427 H1 TIP3 3889 25.420 88.737 -4.920 1.00 0.00 WT1 H ATOM 13428 H2 TIP3 3889 26.233 89.086 -3.692 1.00 0.00 WT1 H ATOM 13429 OH2 TIP3 3890 89.167 45.374 8.314 1.00 0.00 WT1 O ATOM 13430 H1 TIP3 3890 88.278 45.077 8.510 1.00 0.00 WT1 H ATOM 13431 H2 TIP3 3890 89.300 45.142 7.395 1.00 0.00 WT1 H ATOM 13432 OH2 TIP3 3891 67.294 70.977 -13.681 1.00 0.00 WT1 O ATOM 13433 H1 TIP3 3891 68.124 70.698 -14.067 1.00 0.00 WT1 H ATOM 13434 H2 TIP3 3891 67.033 71.739 -14.199 1.00 0.00 WT1 H ATOM 13435 OH2 TIP3 3892 52.258 30.136 14.083 1.00 0.00 WT1 O ATOM 13436 H1 TIP3 3892 51.815 30.518 14.841 1.00 0.00 WT1 H ATOM 13437 H2 TIP3 3892 51.793 30.495 13.327 1.00 0.00 WT1 H ATOM 13438 OH2 TIP3 3896 86.905 74.203 49.601 1.00 0.00 WT1 O ATOM 13439 H1 TIP3 3896 86.932 74.835 48.883 1.00 0.00 WT1 H ATOM 13440 H2 TIP3 3896 87.568 73.551 49.374 1.00 0.00 WT1 H ATOM 13441 OH2 TIP3 3898 74.928 43.829 -13.979 1.00 0.00 WT1 O ATOM 13442 H1 TIP3 3898 75.083 44.067 -13.065 1.00 0.00 WT1 H ATOM 13443 H2 TIP3 3898 74.904 42.872 -13.976 1.00 0.00 WT1 H ATOM 13444 OH2 TIP3 3899 32.148 31.441 -2.299 1.00 0.00 WT1 O ATOM 13445 H1 TIP3 3899 32.653 32.214 -2.551 1.00 0.00 WT1 H ATOM 13446 H2 TIP3 3899 32.762 30.907 -1.795 1.00 0.00 WT1 H ATOM 13447 OH2 TIP3 3900 48.451 37.593 28.614 1.00 0.00 WT1 O ATOM 13448 H1 TIP3 3900 49.043 37.418 27.883 1.00 0.00 WT1 H ATOM 13449 H2 TIP3 3900 47.584 37.359 28.282 1.00 0.00 WT1 H ATOM 13450 OH2 TIP3 3903 84.136 86.508 4.867 1.00 0.00 WT1 O ATOM 13451 H1 TIP3 3903 84.849 85.903 5.073 1.00 0.00 WT1 H ATOM 13452 H2 TIP3 3903 83.477 86.340 5.542 1.00 0.00 WT1 H ATOM 13453 OH2 TIP3 3906 74.007 85.845 57.483 1.00 0.00 WT1 O ATOM 13454 H1 TIP3 3906 73.086 86.051 57.641 1.00 0.00 WT1 H ATOM 13455 H2 TIP3 3906 74.036 85.562 56.569 1.00 0.00 WT1 H ATOM 13456 OH2 TIP3 3907 27.924 59.756 1.363 1.00 0.00 WT1 O ATOM 13457 H1 TIP3 3907 27.941 58.806 1.247 1.00 0.00 WT1 H ATOM 13458 H2 TIP3 3907 28.691 59.945 1.904 1.00 0.00 WT1 H ATOM 13459 OH2 TIP3 3908 31.173 36.589 16.965 1.00 0.00 WT1 O ATOM 13460 H1 TIP3 3908 32.067 36.644 17.301 1.00 0.00 WT1 H ATOM 13461 H2 TIP3 3908 31.247 36.836 16.043 1.00 0.00 WT1 H ATOM 13462 OH2 TIP3 3909 24.054 21.813 -15.403 1.00 0.00 WT1 O ATOM 13463 H1 TIP3 3909 23.744 21.103 -15.966 1.00 0.00 WT1 H ATOM 13464 H2 TIP3 3909 23.258 22.278 -15.144 1.00 0.00 WT1 H ATOM 13465 OH2 TIP3 3910 27.806 27.054 44.664 1.00 0.00 WT1 O ATOM 13466 H1 TIP3 3910 28.568 26.851 45.206 1.00 0.00 WT1 H ATOM 13467 H2 TIP3 3910 27.962 27.946 44.353 1.00 0.00 WT1 H ATOM 13468 OH2 TIP3 3912 53.062 21.869 6.214 1.00 0.00 WT1 O ATOM 13469 H1 TIP3 3912 53.079 22.333 7.051 1.00 0.00 WT1 H ATOM 13470 H2 TIP3 3912 52.858 20.963 6.446 1.00 0.00 WT1 H ATOM 13471 OH2 TIP3 3913 87.928 56.313 -12.751 1.00 0.00 WT1 O ATOM 13472 H1 TIP3 3913 88.664 56.403 -13.356 1.00 0.00 WT1 H ATOM 13473 H2 TIP3 3913 88.186 56.822 -11.982 1.00 0.00 WT1 H ATOM 13474 OH2 TIP3 3916 84.393 62.167 11.377 1.00 0.00 WT1 O ATOM 13475 H1 TIP3 3916 83.644 62.623 11.761 1.00 0.00 WT1 H ATOM 13476 H2 TIP3 3916 84.663 62.722 10.646 1.00 0.00 WT1 H ATOM 13477 OH2 TIP3 3918 73.239 85.574 -11.549 1.00 0.00 WT1 O ATOM 13478 H1 TIP3 3918 73.594 85.783 -12.413 1.00 0.00 WT1 H ATOM 13479 H2 TIP3 3918 72.316 85.818 -11.603 1.00 0.00 WT1 H ATOM 13480 OH2 TIP3 3919 47.136 6.501 -4.437 1.00 0.00 WT1 O ATOM 13481 H1 TIP3 3919 47.683 7.256 -4.655 1.00 0.00 WT1 H ATOM 13482 H2 TIP3 3919 47.081 6.513 -3.482 1.00 0.00 WT1 H ATOM 13483 OH2 TIP3 3924 60.560 36.397 2.200 1.00 0.00 WT1 O ATOM 13484 H1 TIP3 3924 60.102 37.155 2.562 1.00 0.00 WT1 H ATOM 13485 H2 TIP3 3924 61.229 36.187 2.852 1.00 0.00 WT1 H ATOM 13486 OH2 TIP3 3925 31.390 7.473 40.574 1.00 0.00 WT1 O ATOM 13487 H1 TIP3 3925 31.819 6.636 40.753 1.00 0.00 WT1 H ATOM 13488 H2 TIP3 3925 30.458 7.297 40.702 1.00 0.00 WT1 H ATOM 13489 OH2 TIP3 3926 24.694 13.362 33.948 1.00 0.00 WT1 O ATOM 13490 H1 TIP3 3926 24.527 14.239 33.604 1.00 0.00 WT1 H ATOM 13491 H2 TIP3 3926 25.521 13.099 33.545 1.00 0.00 WT1 H ATOM 13492 OH2 TIP3 3928 30.206 67.406 -4.808 1.00 0.00 WT1 O ATOM 13493 H1 TIP3 3928 30.640 67.649 -3.990 1.00 0.00 WT1 H ATOM 13494 H2 TIP3 3928 29.594 68.122 -4.977 1.00 0.00 WT1 H ATOM 13495 OH2 TIP3 3929 25.082 37.546 -19.108 1.00 0.00 WT1 O ATOM 13496 H1 TIP3 3929 25.818 38.159 -19.113 1.00 0.00 WT1 H ATOM 13497 H2 TIP3 3929 24.306 38.103 -19.051 1.00 0.00 WT1 H ATOM 13498 OH2 TIP3 3930 32.930 92.515 19.393 1.00 0.00 WT1 O ATOM 13499 H1 TIP3 3930 32.371 92.223 20.112 1.00 0.00 WT1 H ATOM 13500 H2 TIP3 3930 32.635 92.007 18.637 1.00 0.00 WT1 H ATOM 13501 OH2 TIP3 3931 40.313 1.687 40.105 1.00 0.00 WT1 O ATOM 13502 H1 TIP3 3931 40.491 2.564 40.444 1.00 0.00 WT1 H ATOM 13503 H2 TIP3 3931 40.942 1.123 40.554 1.00 0.00 WT1 H ATOM 13504 OH2 TIP3 3932 34.530 49.780 19.004 1.00 0.00 WT1 O ATOM 13505 H1 TIP3 3932 35.268 49.333 19.418 1.00 0.00 WT1 H ATOM 13506 H2 TIP3 3932 34.931 50.484 18.494 1.00 0.00 WT1 H ATOM 13507 OH2 TIP3 3933 47.928 45.579 -19.405 1.00 0.00 WT1 O ATOM 13508 H1 TIP3 3933 47.615 45.968 -20.221 1.00 0.00 WT1 H ATOM 13509 H2 TIP3 3933 48.852 45.387 -19.570 1.00 0.00 WT1 H ATOM 13510 OH2 TIP3 3934 71.045 23.213 65.264 1.00 0.00 WT1 O ATOM 13511 H1 TIP3 3934 71.238 23.949 64.683 1.00 0.00 WT1 H ATOM 13512 H2 TIP3 3934 70.394 22.697 64.789 1.00 0.00 WT1 H ATOM 13513 OH2 TIP3 3935 20.754 1.793 58.865 1.00 0.00 WT1 O ATOM 13514 H1 TIP3 3935 20.711 2.568 59.424 1.00 0.00 WT1 H ATOM 13515 H2 TIP3 3935 21.279 2.068 58.113 1.00 0.00 WT1 H ATOM 13516 OH2 TIP3 3938 61.234 94.914 18.741 1.00 0.00 WT1 O ATOM 13517 H1 TIP3 3938 60.653 95.036 19.492 1.00 0.00 WT1 H ATOM 13518 H2 TIP3 3938 60.770 94.296 18.177 1.00 0.00 WT1 H ATOM 13519 OH2 TIP3 3943 49.253 20.989 50.036 1.00 0.00 WT1 O ATOM 13520 H1 TIP3 3943 49.464 21.339 49.170 1.00 0.00 WT1 H ATOM 13521 H2 TIP3 3943 49.405 21.721 50.634 1.00 0.00 WT1 H ATOM 13522 OH2 TIP3 3949 22.266 57.054 41.728 1.00 0.00 WT1 O ATOM 13523 H1 TIP3 3949 23.103 57.412 41.432 1.00 0.00 WT1 H ATOM 13524 H2 TIP3 3949 21.625 57.731 41.510 1.00 0.00 WT1 H ATOM 13525 OH2 TIP3 3950 61.779 76.112 36.392 1.00 0.00 WT1 O ATOM 13526 H1 TIP3 3950 61.026 75.958 36.963 1.00 0.00 WT1 H ATOM 13527 H2 TIP3 3950 62.502 75.655 36.820 1.00 0.00 WT1 H ATOM 13528 OH2 TIP3 3951 78.232 8.814 -18.733 1.00 0.00 WT1 O ATOM 13529 H1 TIP3 3951 77.923 8.132 -19.329 1.00 0.00 WT1 H ATOM 13530 H2 TIP3 3951 78.554 8.337 -17.968 1.00 0.00 WT1 H ATOM 13531 OH2 TIP3 3953 66.700 90.653 36.992 1.00 0.00 WT1 O ATOM 13532 H1 TIP3 3953 66.158 89.900 36.759 1.00 0.00 WT1 H ATOM 13533 H2 TIP3 3953 66.159 91.413 36.780 1.00 0.00 WT1 H ATOM 13534 OH2 TIP3 3954 54.819 55.893 23.154 1.00 0.00 WT1 O ATOM 13535 H1 TIP3 3954 55.260 56.414 22.483 1.00 0.00 WT1 H ATOM 13536 H2 TIP3 3954 55.424 55.894 23.896 1.00 0.00 WT1 H ATOM 13537 OH2 TIP3 3955 39.108 86.521 57.178 1.00 0.00 WT1 O ATOM 13538 H1 TIP3 3955 39.271 86.677 58.108 1.00 0.00 WT1 H ATOM 13539 H2 TIP3 3955 38.154 86.515 57.099 1.00 0.00 WT1 H ATOM 13540 OH2 TIP3 3956 73.392 87.542 11.009 1.00 0.00 WT1 O ATOM 13541 H1 TIP3 3956 73.959 86.985 10.475 1.00 0.00 WT1 H ATOM 13542 H2 TIP3 3956 73.288 87.062 11.830 1.00 0.00 WT1 H ATOM 13543 OH2 TIP3 3957 67.269 94.036 35.325 1.00 0.00 WT1 O ATOM 13544 H1 TIP3 3957 67.611 94.097 34.434 1.00 0.00 WT1 H ATOM 13545 H2 TIP3 3957 66.881 94.894 35.493 1.00 0.00 WT1 H ATOM 13546 OH2 TIP3 3962 45.629 37.412 35.920 1.00 0.00 WT1 O ATOM 13547 H1 TIP3 3962 46.443 37.027 35.596 1.00 0.00 WT1 H ATOM 13548 H2 TIP3 3962 45.029 37.367 35.176 1.00 0.00 WT1 H ATOM 13549 OH2 TIP3 3964 23.882 94.140 8.709 1.00 0.00 WT1 O ATOM 13550 H1 TIP3 3964 23.412 93.693 9.413 1.00 0.00 WT1 H ATOM 13551 H2 TIP3 3964 23.267 94.803 8.394 1.00 0.00 WT1 H ATOM 13552 OH2 TIP3 3965 28.161 19.921 -0.033 1.00 0.00 WT1 O ATOM 13553 H1 TIP3 3965 27.368 19.859 0.499 1.00 0.00 WT1 H ATOM 13554 H2 TIP3 3965 28.705 20.566 0.420 1.00 0.00 WT1 H ATOM 13555 OH2 TIP3 3966 24.629 42.367 30.899 1.00 0.00 WT1 O ATOM 13556 H1 TIP3 3966 24.876 43.254 31.161 1.00 0.00 WT1 H ATOM 13557 H2 TIP3 3966 25.456 41.950 30.656 1.00 0.00 WT1 H ATOM 13558 OH2 TIP3 3967 23.979 58.762 22.530 1.00 0.00 WT1 O ATOM 13559 H1 TIP3 3967 24.915 58.839 22.343 1.00 0.00 WT1 H ATOM 13560 H2 TIP3 3967 23.632 58.244 21.804 1.00 0.00 WT1 H ATOM 13561 OH2 TIP3 3968 24.269 34.762 33.138 1.00 0.00 WT1 O ATOM 13562 H1 TIP3 3968 23.669 34.045 33.343 1.00 0.00 WT1 H ATOM 13563 H2 TIP3 3968 24.976 34.349 32.642 1.00 0.00 WT1 H ATOM 13564 OH2 TIP3 3971 32.480 85.978 47.417 1.00 0.00 WT1 O ATOM 13565 H1 TIP3 3971 31.853 85.491 46.882 1.00 0.00 WT1 H ATOM 13566 H2 TIP3 3971 31.990 86.218 48.203 1.00 0.00 WT1 H ATOM 13567 OH2 TIP3 3972 90.242 70.925 10.368 1.00 0.00 WT1 O ATOM 13568 H1 TIP3 3972 90.088 69.990 10.502 1.00 0.00 WT1 H ATOM 13569 H2 TIP3 3972 91.196 71.011 10.352 1.00 0.00 WT1 H ATOM 13570 OH2 TIP3 3973 53.621 72.513 45.040 1.00 0.00 WT1 O ATOM 13571 H1 TIP3 3973 54.380 72.019 44.729 1.00 0.00 WT1 H ATOM 13572 H2 TIP3 3973 52.946 71.849 45.185 1.00 0.00 WT1 H ATOM 13573 OH2 TIP3 3974 42.981 11.009 -2.556 1.00 0.00 WT1 O ATOM 13574 H1 TIP3 3974 43.011 10.221 -2.014 1.00 0.00 WT1 H ATOM 13575 H2 TIP3 3974 42.048 11.214 -2.630 1.00 0.00 WT1 H ATOM 13576 OH2 TIP3 3975 28.590 92.257 59.545 1.00 0.00 WT1 O ATOM 13577 H1 TIP3 3975 27.888 92.757 59.130 1.00 0.00 WT1 H ATOM 13578 H2 TIP3 3975 28.366 91.342 59.374 1.00 0.00 WT1 H ATOM 13579 OH2 TIP3 3976 29.788 94.824 18.662 1.00 0.00 WT1 O ATOM 13580 H1 TIP3 3976 30.622 95.006 19.096 1.00 0.00 WT1 H ATOM 13581 H2 TIP3 3976 29.753 93.869 18.603 1.00 0.00 WT1 H ATOM 13582 OH2 TIP3 3977 58.063 71.111 3.584 1.00 0.00 WT1 O ATOM 13583 H1 TIP3 3977 57.854 70.286 3.147 1.00 0.00 WT1 H ATOM 13584 H2 TIP3 3977 58.903 70.949 4.014 1.00 0.00 WT1 H ATOM 13585 OH2 TIP3 3978 78.029 28.965 50.927 1.00 0.00 WT1 O ATOM 13586 H1 TIP3 3978 78.154 28.897 51.873 1.00 0.00 WT1 H ATOM 13587 H2 TIP3 3978 78.865 28.685 50.554 1.00 0.00 WT1 H ATOM 13588 OH2 TIP3 3982 89.226 80.681 55.155 1.00 0.00 WT1 O ATOM 13589 H1 TIP3 3982 89.087 81.599 54.923 1.00 0.00 WT1 H ATOM 13590 H2 TIP3 3982 88.360 80.364 55.412 1.00 0.00 WT1 H ATOM 13591 OH2 TIP3 3983 44.297 10.458 16.681 1.00 0.00 WT1 O ATOM 13592 H1 TIP3 3983 44.040 9.835 17.360 1.00 0.00 WT1 H ATOM 13593 H2 TIP3 3983 45.208 10.237 16.485 1.00 0.00 WT1 H ATOM 13594 OH2 TIP3 3985 22.468 28.273 60.734 1.00 0.00 WT1 O ATOM 13595 H1 TIP3 3985 23.327 28.002 61.059 1.00 0.00 WT1 H ATOM 13596 H2 TIP3 3985 22.037 28.665 61.494 1.00 0.00 WT1 H ATOM 13597 OH2 TIP3 3986 40.006 18.487 -12.299 1.00 0.00 WT1 O ATOM 13598 H1 TIP3 3986 39.970 18.244 -13.224 1.00 0.00 WT1 H ATOM 13599 H2 TIP3 3986 39.192 18.967 -12.145 1.00 0.00 WT1 H ATOM 13600 OH2 TIP3 3988 74.068 51.695 50.267 1.00 0.00 WT1 O ATOM 13601 H1 TIP3 3988 73.554 52.201 49.637 1.00 0.00 WT1 H ATOM 13602 H2 TIP3 3988 73.453 51.049 50.615 1.00 0.00 WT1 H ATOM 13603 OH2 TIP3 3989 30.228 24.578 24.594 1.00 0.00 WT1 O ATOM 13604 H1 TIP3 3989 30.608 23.732 24.831 1.00 0.00 WT1 H ATOM 13605 H2 TIP3 3989 30.780 24.896 23.879 1.00 0.00 WT1 H ATOM 13606 OH2 TIP3 3990 35.201 47.742 4.330 1.00 0.00 WT1 O ATOM 13607 H1 TIP3 3990 34.590 47.525 5.034 1.00 0.00 WT1 H ATOM 13608 H2 TIP3 3990 36.065 47.544 4.693 1.00 0.00 WT1 H ATOM 13609 OH2 TIP3 3991 78.064 10.974 -5.200 1.00 0.00 WT1 O ATOM 13610 H1 TIP3 3991 77.406 10.752 -4.541 1.00 0.00 WT1 H ATOM 13611 H2 TIP3 3991 78.299 11.882 -5.006 1.00 0.00 WT1 H ATOM 13612 OH2 TIP3 3992 51.219 3.391 -4.626 1.00 0.00 WT1 O ATOM 13613 H1 TIP3 3992 50.949 2.535 -4.295 1.00 0.00 WT1 H ATOM 13614 H2 TIP3 3992 50.399 3.843 -4.823 1.00 0.00 WT1 H ATOM 13615 OH2 TIP3 3993 33.555 0.763 39.082 1.00 0.00 WT1 O ATOM 13616 H1 TIP3 3993 33.528 1.688 39.325 1.00 0.00 WT1 H ATOM 13617 H2 TIP3 3993 34.145 0.729 38.329 1.00 0.00 WT1 H ATOM 13618 OH2 TIP3 3995 56.297 5.478 46.369 1.00 0.00 WT1 O ATOM 13619 H1 TIP3 3995 55.898 6.270 46.008 1.00 0.00 WT1 H ATOM 13620 H2 TIP3 3995 56.185 4.819 45.684 1.00 0.00 WT1 H ATOM 13621 OH2 TIP3 3996 55.796 61.007 -14.411 1.00 0.00 WT1 O ATOM 13622 H1 TIP3 3996 54.942 61.407 -14.250 1.00 0.00 WT1 H ATOM 13623 H2 TIP3 3996 55.911 60.386 -13.692 1.00 0.00 WT1 H ATOM 13624 OH2 TIP3 3997 44.294 93.037 5.102 1.00 0.00 WT1 O ATOM 13625 H1 TIP3 3997 44.925 93.492 5.661 1.00 0.00 WT1 H ATOM 13626 H2 TIP3 3997 44.828 92.630 4.420 1.00 0.00 WT1 H ATOM 13627 OH2 TIP3 3998 77.747 5.741 1.078 1.00 0.00 WT1 O ATOM 13628 H1 TIP3 3998 77.930 5.269 1.891 1.00 0.00 WT1 H ATOM 13629 H2 TIP3 3998 77.781 6.666 1.325 1.00 0.00 WT1 H ATOM 13630 OH2 TIP3 3999 20.701 34.338 44.746 1.00 0.00 WT1 O ATOM 13631 H1 TIP3 3999 20.271 33.629 45.224 1.00 0.00 WT1 H ATOM 13632 H2 TIP3 3999 21.555 34.428 45.167 1.00 0.00 WT1 H ATOM 13633 OH2 TIP3 4000 21.824 26.549 6.322 1.00 0.00 WT1 O ATOM 13634 H1 TIP3 4000 22.694 26.210 6.533 1.00 0.00 WT1 H ATOM 13635 H2 TIP3 4000 21.413 26.701 7.173 1.00 0.00 WT1 H ATOM 13636 OH2 TIP3 4002 64.811 92.119 10.322 1.00 0.00 WT1 O ATOM 13637 H1 TIP3 4002 64.915 92.201 11.270 1.00 0.00 WT1 H ATOM 13638 H2 TIP3 4002 64.314 91.309 10.204 1.00 0.00 WT1 H ATOM 13639 OH2 TIP3 4004 44.757 93.840 -3.439 1.00 0.00 WT1 O ATOM 13640 H1 TIP3 4004 45.133 93.567 -4.276 1.00 0.00 WT1 H ATOM 13641 H2 TIP3 4004 45.122 93.227 -2.801 1.00 0.00 WT1 H ATOM 13642 OH2 TIP3 4005 22.922 74.667 30.524 1.00 0.00 WT1 O ATOM 13643 H1 TIP3 4005 23.326 73.916 30.959 1.00 0.00 WT1 H ATOM 13644 H2 TIP3 4005 23.463 74.815 29.748 1.00 0.00 WT1 H ATOM 13645 OH2 TIP3 4006 71.477 6.812 2.127 1.00 0.00 WT1 O ATOM 13646 H1 TIP3 4006 71.786 6.044 1.648 1.00 0.00 WT1 H ATOM 13647 H2 TIP3 4006 72.209 7.052 2.695 1.00 0.00 WT1 H ATOM 13648 OH2 TIP3 4007 69.962 91.108 -15.166 1.00 0.00 WT1 O ATOM 13649 H1 TIP3 4007 70.616 90.504 -14.815 1.00 0.00 WT1 H ATOM 13650 H2 TIP3 4007 69.153 90.878 -14.710 1.00 0.00 WT1 H ATOM 13651 OH2 TIP3 4008 57.070 32.429 54.224 1.00 0.00 WT1 O ATOM 13652 H1 TIP3 4008 57.655 33.018 53.747 1.00 0.00 WT1 H ATOM 13653 H2 TIP3 4008 56.304 32.966 54.430 1.00 0.00 WT1 H ATOM 13654 OH2 TIP3 4009 47.759 25.735 -19.361 1.00 0.00 WT1 O ATOM 13655 H1 TIP3 4009 48.513 26.225 -19.034 1.00 0.00 WT1 H ATOM 13656 H2 TIP3 4009 47.296 26.355 -19.924 1.00 0.00 WT1 H ATOM 13657 OH2 TIP3 4010 56.051 3.709 26.835 1.00 0.00 WT1 O ATOM 13658 H1 TIP3 4010 55.352 4.339 27.008 1.00 0.00 WT1 H ATOM 13659 H2 TIP3 4010 56.347 3.434 27.703 1.00 0.00 WT1 H ATOM 13660 OH2 TIP3 4011 29.432 43.997 65.427 1.00 0.00 WT1 O ATOM 13661 H1 TIP3 4011 29.748 44.331 66.267 1.00 0.00 WT1 H ATOM 13662 H2 TIP3 4011 28.598 44.448 65.289 1.00 0.00 WT1 H ATOM 13663 OH2 TIP3 4012 41.666 13.869 31.429 1.00 0.00 WT1 O ATOM 13664 H1 TIP3 4012 41.559 12.923 31.332 1.00 0.00 WT1 H ATOM 13665 H2 TIP3 4012 40.778 14.220 31.356 1.00 0.00 WT1 H ATOM 13666 OH2 TIP3 4013 58.388 85.081 26.353 1.00 0.00 WT1 O ATOM 13667 H1 TIP3 4013 58.930 84.298 26.448 1.00 0.00 WT1 H ATOM 13668 H2 TIP3 4013 58.660 85.650 27.073 1.00 0.00 WT1 H ATOM 13669 OH2 TIP3 4014 75.489 94.947 -2.065 1.00 0.00 WT1 O ATOM 13670 H1 TIP3 4014 74.869 95.364 -2.663 1.00 0.00 WT1 H ATOM 13671 H2 TIP3 4014 76.086 95.650 -1.810 1.00 0.00 WT1 H ATOM 13672 OH2 TIP3 4015 77.837 66.465 59.997 1.00 0.00 WT1 O ATOM 13673 H1 TIP3 4015 77.961 66.086 59.126 1.00 0.00 WT1 H ATOM 13674 H2 TIP3 4015 78.441 65.978 60.558 1.00 0.00 WT1 H ATOM 13675 OH2 TIP3 4016 76.552 7.423 63.602 1.00 0.00 WT1 O ATOM 13676 H1 TIP3 4016 76.764 7.018 62.761 1.00 0.00 WT1 H ATOM 13677 H2 TIP3 4016 76.172 8.270 63.372 1.00 0.00 WT1 H ATOM 13678 OH2 TIP3 4017 34.475 29.796 39.983 1.00 0.00 WT1 O ATOM 13679 H1 TIP3 4017 35.032 30.462 39.581 1.00 0.00 WT1 H ATOM 13680 H2 TIP3 4017 34.585 29.928 40.925 1.00 0.00 WT1 H ATOM 13681 OH2 TIP3 4018 41.045 28.795 22.053 1.00 0.00 WT1 O ATOM 13682 H1 TIP3 4018 40.570 29.516 22.465 1.00 0.00 WT1 H ATOM 13683 H2 TIP3 4018 41.904 28.801 22.477 1.00 0.00 WT1 H ATOM 13684 OH2 TIP3 4019 63.171 0.872 64.498 1.00 0.00 WT1 O ATOM 13685 H1 TIP3 4019 62.734 0.861 65.350 1.00 0.00 WT1 H ATOM 13686 H2 TIP3 4019 62.815 0.113 64.036 1.00 0.00 WT1 H ATOM 13687 OH2 TIP3 4020 50.253 95.668 28.592 1.00 0.00 WT1 O ATOM 13688 H1 TIP3 4020 49.894 96.494 28.916 1.00 0.00 WT1 H ATOM 13689 H2 TIP3 4020 49.512 95.234 28.168 1.00 0.00 WT1 H ATOM 13690 OH2 TIP3 4021 67.345 17.870 0.039 1.00 0.00 WT1 O ATOM 13691 H1 TIP3 4021 66.754 18.617 0.135 1.00 0.00 WT1 H ATOM 13692 H2 TIP3 4021 68.213 18.224 0.231 1.00 0.00 WT1 H ATOM 13693 OH2 TIP3 4022 34.781 1.937 1.877 1.00 0.00 WT1 O ATOM 13694 H1 TIP3 4022 35.389 1.384 2.368 1.00 0.00 WT1 H ATOM 13695 H2 TIP3 4022 33.925 1.756 2.266 1.00 0.00 WT1 H ATOM 13696 OH2 TIP3 4023 29.948 6.308 47.679 1.00 0.00 WT1 O ATOM 13697 H1 TIP3 4023 29.781 5.963 46.802 1.00 0.00 WT1 H ATOM 13698 H2 TIP3 4023 30.380 7.149 47.527 1.00 0.00 WT1 H ATOM 13699 OH2 TIP3 4025 63.949 81.030 47.682 1.00 0.00 WT1 O ATOM 13700 H1 TIP3 4025 64.192 81.931 47.893 1.00 0.00 WT1 H ATOM 13701 H2 TIP3 4025 64.783 80.586 47.529 1.00 0.00 WT1 H ATOM 13702 OH2 TIP3 4026 47.294 86.789 -9.770 1.00 0.00 WT1 O ATOM 13703 H1 TIP3 4026 47.805 86.261 -9.157 1.00 0.00 WT1 H ATOM 13704 H2 TIP3 4026 46.584 87.152 -9.241 1.00 0.00 WT1 H ATOM 13705 OH2 TIP3 4027 60.766 14.710 48.727 1.00 0.00 WT1 O ATOM 13706 H1 TIP3 4027 60.882 15.656 48.636 1.00 0.00 WT1 H ATOM 13707 H2 TIP3 4027 60.959 14.360 47.857 1.00 0.00 WT1 H ATOM 13708 OH2 TIP3 4028 37.258 31.771 30.338 1.00 0.00 WT1 O ATOM 13709 H1 TIP3 4028 36.789 32.580 30.131 1.00 0.00 WT1 H ATOM 13710 H2 TIP3 4028 38.036 31.796 29.782 1.00 0.00 WT1 H ATOM 13711 OH2 TIP3 4029 42.647 82.985 35.909 1.00 0.00 WT1 O ATOM 13712 H1 TIP3 4029 41.849 82.494 36.105 1.00 0.00 WT1 H ATOM 13713 H2 TIP3 4029 42.547 83.254 34.996 1.00 0.00 WT1 H ATOM 13714 OH2 TIP3 4030 55.699 78.012 -12.599 1.00 0.00 WT1 O ATOM 13715 H1 TIP3 4030 55.731 77.077 -12.803 1.00 0.00 WT1 H ATOM 13716 H2 TIP3 4030 54.766 78.220 -12.570 1.00 0.00 WT1 H ATOM 13717 OH2 TIP3 4031 40.933 61.108 41.205 1.00 0.00 WT1 O ATOM 13718 H1 TIP3 4031 40.702 61.586 42.001 1.00 0.00 WT1 H ATOM 13719 H2 TIP3 4031 40.363 61.475 40.529 1.00 0.00 WT1 H ATOM 13720 OH2 TIP3 4032 80.768 68.803 -11.300 1.00 0.00 WT1 O ATOM 13721 H1 TIP3 4032 80.929 69.576 -11.842 1.00 0.00 WT1 H ATOM 13722 H2 TIP3 4032 79.919 68.476 -11.596 1.00 0.00 WT1 H ATOM 13723 OH2 TIP3 4033 39.013 34.200 -0.709 1.00 0.00 WT1 O ATOM 13724 H1 TIP3 4033 39.011 35.109 -0.409 1.00 0.00 WT1 H ATOM 13725 H2 TIP3 4033 39.689 34.172 -1.387 1.00 0.00 WT1 H ATOM 13726 OH2 TIP3 4034 40.789 86.412 54.907 1.00 0.00 WT1 O ATOM 13727 H1 TIP3 4034 40.969 85.528 54.586 1.00 0.00 WT1 H ATOM 13728 H2 TIP3 4034 40.629 86.299 55.844 1.00 0.00 WT1 H ATOM 13729 OH2 TIP3 4035 69.596 1.401 3.904 1.00 0.00 WT1 O ATOM 13730 H1 TIP3 4035 69.784 0.995 4.751 1.00 0.00 WT1 H ATOM 13731 H2 TIP3 4035 70.456 1.533 3.505 1.00 0.00 WT1 H ATOM 13732 OH2 TIP3 4036 34.584 89.838 -16.078 1.00 0.00 WT1 O ATOM 13733 H1 TIP3 4036 35.005 89.290 -16.740 1.00 0.00 WT1 H ATOM 13734 H2 TIP3 4036 34.915 89.505 -15.244 1.00 0.00 WT1 H ATOM 13735 OH2 TIP3 4037 21.559 62.242 32.962 1.00 0.00 WT1 O ATOM 13736 H1 TIP3 4037 21.473 61.306 33.141 1.00 0.00 WT1 H ATOM 13737 H2 TIP3 4037 22.500 62.381 32.857 1.00 0.00 WT1 H ATOM 13738 OH2 TIP3 4039 46.378 81.639 2.264 1.00 0.00 WT1 O ATOM 13739 H1 TIP3 4039 46.234 82.584 2.311 1.00 0.00 WT1 H ATOM 13740 H2 TIP3 4039 45.709 81.265 2.839 1.00 0.00 WT1 H ATOM 13741 OH2 TIP3 4040 63.462 43.255 50.070 1.00 0.00 WT1 O ATOM 13742 H1 TIP3 4040 63.201 44.041 49.589 1.00 0.00 WT1 H ATOM 13743 H2 TIP3 4040 62.645 42.913 50.433 1.00 0.00 WT1 H ATOM 13744 OH2 TIP3 4041 42.937 7.127 -9.202 1.00 0.00 WT1 O ATOM 13745 H1 TIP3 4041 42.076 7.525 -9.071 1.00 0.00 WT1 H ATOM 13746 H2 TIP3 4041 42.747 6.216 -9.427 1.00 0.00 WT1 H ATOM 13747 OH2 TIP3 4042 59.410 92.492 27.628 1.00 0.00 WT1 O ATOM 13748 H1 TIP3 4042 59.295 91.845 28.324 1.00 0.00 WT1 H ATOM 13749 H2 TIP3 4042 58.913 92.141 26.890 1.00 0.00 WT1 H ATOM 13750 OH2 TIP3 4043 36.113 51.117 11.727 1.00 0.00 WT1 O ATOM 13751 H1 TIP3 4043 36.484 51.984 11.891 1.00 0.00 WT1 H ATOM 13752 H2 TIP3 4043 36.851 50.595 11.414 1.00 0.00 WT1 H ATOM 13753 OH2 TIP3 4044 63.973 88.979 35.213 1.00 0.00 WT1 O ATOM 13754 H1 TIP3 4044 64.143 88.762 36.130 1.00 0.00 WT1 H ATOM 13755 H2 TIP3 4044 63.761 88.141 34.803 1.00 0.00 WT1 H ATOM 13756 OH2 TIP3 4045 84.582 31.733 60.496 1.00 0.00 WT1 O ATOM 13757 H1 TIP3 4045 85.238 31.074 60.722 1.00 0.00 WT1 H ATOM 13758 H2 TIP3 4045 83.834 31.529 61.058 1.00 0.00 WT1 H ATOM 13759 OH2 TIP3 4046 46.770 94.752 55.022 1.00 0.00 WT1 O ATOM 13760 H1 TIP3 4046 47.380 95.457 55.240 1.00 0.00 WT1 H ATOM 13761 H2 TIP3 4046 46.744 94.744 54.066 1.00 0.00 WT1 H ATOM 13762 OH2 TIP3 4049 49.374 95.706 39.336 1.00 0.00 WT1 O ATOM 13763 H1 TIP3 4049 49.722 95.178 38.617 1.00 0.00 WT1 H ATOM 13764 H2 TIP3 4049 49.101 96.525 38.922 1.00 0.00 WT1 H ATOM 13765 OH2 TIP3 4050 49.997 82.754 61.315 1.00 0.00 WT1 O ATOM 13766 H1 TIP3 4050 50.523 82.247 61.934 1.00 0.00 WT1 H ATOM 13767 H2 TIP3 4050 49.908 83.615 61.725 1.00 0.00 WT1 H ATOM 13768 OH2 TIP3 4052 82.277 62.249 62.545 1.00 0.00 WT1 O ATOM 13769 H1 TIP3 4052 81.673 61.508 62.583 1.00 0.00 WT1 H ATOM 13770 H2 TIP3 4052 81.812 62.912 62.036 1.00 0.00 WT1 H ATOM 13771 OH2 TIP3 4053 84.168 15.406 2.762 1.00 0.00 WT1 O ATOM 13772 H1 TIP3 4053 84.092 16.252 3.204 1.00 0.00 WT1 H ATOM 13773 H2 TIP3 4053 84.943 15.001 3.151 1.00 0.00 WT1 H ATOM 13774 OH2 TIP3 4054 76.081 44.625 6.120 1.00 0.00 WT1 O ATOM 13775 H1 TIP3 4054 75.861 45.265 6.796 1.00 0.00 WT1 H ATOM 13776 H2 TIP3 4054 75.239 44.390 5.729 1.00 0.00 WT1 H ATOM 13777 OH2 TIP3 4055 33.024 57.454 62.772 1.00 0.00 WT1 O ATOM 13778 H1 TIP3 4055 33.598 57.570 63.529 1.00 0.00 WT1 H ATOM 13779 H2 TIP3 4055 32.174 57.227 63.148 1.00 0.00 WT1 H ATOM 13780 OH2 TIP3 4056 83.763 30.100 -7.857 1.00 0.00 WT1 O ATOM 13781 H1 TIP3 4056 82.962 30.016 -7.339 1.00 0.00 WT1 H ATOM 13782 H2 TIP3 4056 84.229 29.276 -7.713 1.00 0.00 WT1 H ATOM 13783 OH2 TIP3 4057 69.994 17.950 -13.483 1.00 0.00 WT1 O ATOM 13784 H1 TIP3 4057 69.112 17.652 -13.708 1.00 0.00 WT1 H ATOM 13785 H2 TIP3 4057 70.545 17.630 -14.198 1.00 0.00 WT1 H ATOM 13786 OH2 TIP3 4059 23.160 58.613 -15.428 1.00 0.00 WT1 O ATOM 13787 H1 TIP3 4059 22.595 59.359 -15.227 1.00 0.00 WT1 H ATOM 13788 H2 TIP3 4059 23.562 58.384 -14.590 1.00 0.00 WT1 H ATOM 13789 OH2 TIP3 4060 30.896 54.627 -4.973 1.00 0.00 WT1 O ATOM 13790 H1 TIP3 4060 31.097 53.698 -4.858 1.00 0.00 WT1 H ATOM 13791 H2 TIP3 4060 31.581 55.083 -4.483 1.00 0.00 WT1 H ATOM 13792 OH2 TIP3 4061 21.123 77.946 28.977 1.00 0.00 WT1 O ATOM 13793 H1 TIP3 4061 21.026 77.333 29.705 1.00 0.00 WT1 H ATOM 13794 H2 TIP3 4061 20.859 77.446 28.205 1.00 0.00 WT1 H ATOM 13795 OH2 TIP3 4062 81.454 68.893 60.152 1.00 0.00 WT1 O ATOM 13796 H1 TIP3 4062 80.681 68.616 60.646 1.00 0.00 WT1 H ATOM 13797 H2 TIP3 4062 81.478 68.307 59.396 1.00 0.00 WT1 H ATOM 13798 OH2 TIP3 4064 33.533 12.705 47.098 1.00 0.00 WT1 O ATOM 13799 H1 TIP3 4064 33.844 12.507 46.215 1.00 0.00 WT1 H ATOM 13800 H2 TIP3 4064 34.226 12.383 47.675 1.00 0.00 WT1 H ATOM 13801 OH2 TIP3 4065 82.971 12.683 -17.531 1.00 0.00 WT1 O ATOM 13802 H1 TIP3 4065 83.131 13.623 -17.447 1.00 0.00 WT1 H ATOM 13803 H2 TIP3 4065 82.154 12.622 -18.025 1.00 0.00 WT1 H ATOM 13804 OH2 TIP3 4067 80.328 8.788 1.879 1.00 0.00 WT1 O ATOM 13805 H1 TIP3 4067 80.116 9.054 0.984 1.00 0.00 WT1 H ATOM 13806 H2 TIP3 4067 81.256 8.999 1.979 1.00 0.00 WT1 H ATOM 13807 OH2 TIP3 4068 86.944 42.471 27.623 1.00 0.00 WT1 O ATOM 13808 H1 TIP3 4068 86.440 41.865 28.166 1.00 0.00 WT1 H ATOM 13809 H2 TIP3 4068 87.656 41.939 27.268 1.00 0.00 WT1 H ATOM 13810 OH2 TIP3 4069 58.967 37.982 -11.262 1.00 0.00 WT1 O ATOM 13811 H1 TIP3 4069 59.597 38.702 -11.304 1.00 0.00 WT1 H ATOM 13812 H2 TIP3 4069 58.299 38.284 -10.647 1.00 0.00 WT1 H ATOM 13813 OH2 TIP3 4070 30.285 5.422 14.896 1.00 0.00 WT1 O ATOM 13814 H1 TIP3 4070 29.694 5.959 14.368 1.00 0.00 WT1 H ATOM 13815 H2 TIP3 4070 30.294 5.847 15.753 1.00 0.00 WT1 H ATOM 13816 OH2 TIP3 4071 32.960 89.724 26.708 1.00 0.00 WT1 O ATOM 13817 H1 TIP3 4071 33.487 89.335 26.010 1.00 0.00 WT1 H ATOM 13818 H2 TIP3 4071 32.158 89.201 26.724 1.00 0.00 WT1 H ATOM 13819 OH2 TIP3 4072 53.565 36.094 56.907 1.00 0.00 WT1 O ATOM 13820 H1 TIP3 4072 52.622 35.936 56.860 1.00 0.00 WT1 H ATOM 13821 H2 TIP3 4072 53.655 36.827 57.516 1.00 0.00 WT1 H ATOM 13822 OH2 TIP3 4073 82.180 73.030 58.876 1.00 0.00 WT1 O ATOM 13823 H1 TIP3 4073 82.339 73.269 59.790 1.00 0.00 WT1 H ATOM 13824 H2 TIP3 4073 82.979 73.291 58.418 1.00 0.00 WT1 H ATOM 13825 OH2 TIP3 4074 45.300 5.421 0.666 1.00 0.00 WT1 O ATOM 13826 H1 TIP3 4074 45.681 5.123 1.492 1.00 0.00 WT1 H ATOM 13827 H2 TIP3 4074 44.356 5.417 0.821 1.00 0.00 WT1 H ATOM 13828 OH2 TIP3 4075 57.079 73.426 -1.155 1.00 0.00 WT1 O ATOM 13829 H1 TIP3 4075 57.308 73.768 -2.019 1.00 0.00 WT1 H ATOM 13830 H2 TIP3 4075 57.898 73.067 -0.814 1.00 0.00 WT1 H ATOM 13831 OH2 TIP3 4076 52.237 27.331 63.129 1.00 0.00 WT1 O ATOM 13832 H1 TIP3 4076 52.218 28.162 63.604 1.00 0.00 WT1 H ATOM 13833 H2 TIP3 4076 51.900 27.544 62.259 1.00 0.00 WT1 H ATOM 13834 OH2 TIP3 4077 89.161 20.169 44.347 1.00 0.00 WT1 O ATOM 13835 H1 TIP3 4077 88.871 20.455 43.481 1.00 0.00 WT1 H ATOM 13836 H2 TIP3 4077 88.758 19.308 44.463 1.00 0.00 WT1 H ATOM 13837 OH2 TIP3 4078 23.783 11.210 -4.180 1.00 0.00 WT1 O ATOM 13838 H1 TIP3 4078 24.224 12.058 -4.126 1.00 0.00 WT1 H ATOM 13839 H2 TIP3 4078 23.192 11.197 -3.428 1.00 0.00 WT1 H ATOM 13840 OH2 TIP3 4079 41.314 64.264 57.664 1.00 0.00 WT1 O ATOM 13841 H1 TIP3 4079 42.150 63.817 57.794 1.00 0.00 WT1 H ATOM 13842 H2 TIP3 4079 41.394 65.074 58.168 1.00 0.00 WT1 H ATOM 13843 OH2 TIP3 4081 27.612 3.557 31.870 1.00 0.00 WT1 O ATOM 13844 H1 TIP3 4081 26.705 3.829 32.015 1.00 0.00 WT1 H ATOM 13845 H2 TIP3 4081 27.688 3.474 30.919 1.00 0.00 WT1 H ATOM 13846 OH2 TIP3 4082 24.477 84.706 18.357 1.00 0.00 WT1 O ATOM 13847 H1 TIP3 4082 25.301 85.089 18.055 1.00 0.00 WT1 H ATOM 13848 H2 TIP3 4082 23.864 84.858 17.637 1.00 0.00 WT1 H ATOM 13849 OH2 TIP3 4083 85.556 48.068 -10.062 1.00 0.00 WT1 O ATOM 13850 H1 TIP3 4083 84.959 47.397 -9.729 1.00 0.00 WT1 H ATOM 13851 H2 TIP3 4083 86.175 48.214 -9.347 1.00 0.00 WT1 H ATOM 13852 OH2 TIP3 4084 33.890 81.609 15.346 1.00 0.00 WT1 O ATOM 13853 H1 TIP3 4084 34.501 81.421 14.634 1.00 0.00 WT1 H ATOM 13854 H2 TIP3 4084 33.432 82.401 15.067 1.00 0.00 WT1 H ATOM 13855 OH2 TIP3 4087 28.281 80.888 61.327 1.00 0.00 WT1 O ATOM 13856 H1 TIP3 4087 28.561 80.143 61.859 1.00 0.00 WT1 H ATOM 13857 H2 TIP3 4087 28.164 80.526 60.449 1.00 0.00 WT1 H ATOM 13858 OH2 TIP3 4089 67.565 32.528 20.731 1.00 0.00 WT1 O ATOM 13859 H1 TIP3 4089 68.145 32.473 19.971 1.00 0.00 WT1 H ATOM 13860 H2 TIP3 4089 66.872 33.131 20.460 1.00 0.00 WT1 H ATOM 13861 OH2 TIP3 4090 71.637 93.112 34.787 1.00 0.00 WT1 O ATOM 13862 H1 TIP3 4090 72.575 93.147 34.971 1.00 0.00 WT1 H ATOM 13863 H2 TIP3 4090 71.487 92.223 34.467 1.00 0.00 WT1 H ATOM 13864 OH2 TIP3 4092 59.420 25.274 5.752 1.00 0.00 WT1 O ATOM 13865 H1 TIP3 4092 59.733 25.599 6.597 1.00 0.00 WT1 H ATOM 13866 H2 TIP3 4092 59.349 26.057 5.206 1.00 0.00 WT1 H ATOM 13867 OH2 TIP3 4093 40.790 18.329 63.146 1.00 0.00 WT1 O ATOM 13868 H1 TIP3 4093 39.982 18.239 63.652 1.00 0.00 WT1 H ATOM 13869 H2 TIP3 4093 40.516 18.217 62.236 1.00 0.00 WT1 H ATOM 13870 OH2 TIP3 4095 32.361 37.209 44.072 1.00 0.00 WT1 O ATOM 13871 H1 TIP3 4095 32.474 37.742 43.284 1.00 0.00 WT1 H ATOM 13872 H2 TIP3 4095 32.935 37.616 44.721 1.00 0.00 WT1 H ATOM 13873 OH2 TIP3 4096 64.927 80.517 55.057 1.00 0.00 WT1 O ATOM 13874 H1 TIP3 4096 64.600 80.308 54.182 1.00 0.00 WT1 H ATOM 13875 H2 TIP3 4096 65.448 79.754 55.308 1.00 0.00 WT1 H ATOM 13876 OH2 TIP3 4097 47.867 32.809 16.428 1.00 0.00 WT1 O ATOM 13877 H1 TIP3 4097 48.000 33.355 17.203 1.00 0.00 WT1 H ATOM 13878 H2 TIP3 4097 47.511 31.989 16.770 1.00 0.00 WT1 H ATOM 13879 OH2 TIP3 4098 48.050 35.006 18.608 1.00 0.00 WT1 O ATOM 13880 H1 TIP3 4098 48.321 35.924 18.609 1.00 0.00 WT1 H ATOM 13881 H2 TIP3 4098 48.821 34.527 18.910 1.00 0.00 WT1 H ATOM 13882 OH2 TIP3 4099 54.438 14.858 53.458 1.00 0.00 WT1 O ATOM 13883 H1 TIP3 4099 54.863 15.429 52.818 1.00 0.00 WT1 H ATOM 13884 H2 TIP3 4099 53.505 15.057 53.375 1.00 0.00 WT1 H ATOM 13885 OH2 TIP3 4100 32.168 69.544 52.888 1.00 0.00 WT1 O ATOM 13886 H1 TIP3 4100 31.501 68.861 52.952 1.00 0.00 WT1 H ATOM 13887 H2 TIP3 4100 32.311 69.652 51.948 1.00 0.00 WT1 H ATOM 13888 OH2 TIP3 4101 65.001 21.000 11.298 1.00 0.00 WT1 O ATOM 13889 H1 TIP3 4101 64.624 21.580 10.637 1.00 0.00 WT1 H ATOM 13890 H2 TIP3 4101 65.385 20.281 10.795 1.00 0.00 WT1 H ATOM 13891 OH2 TIP3 4102 29.449 44.892 -18.756 1.00 0.00 WT1 O ATOM 13892 H1 TIP3 4102 28.693 44.552 -18.276 1.00 0.00 WT1 H ATOM 13893 H2 TIP3 4102 30.195 44.721 -18.180 1.00 0.00 WT1 H ATOM 13894 OH2 TIP3 4103 75.607 38.029 -5.002 1.00 0.00 WT1 O ATOM 13895 H1 TIP3 4103 75.495 37.232 -4.484 1.00 0.00 WT1 H ATOM 13896 H2 TIP3 4103 74.723 38.251 -5.294 1.00 0.00 WT1 H ATOM 13897 OH2 TIP3 4104 33.362 21.058 -5.050 1.00 0.00 WT1 O ATOM 13898 H1 TIP3 4104 33.725 21.704 -5.655 1.00 0.00 WT1 H ATOM 13899 H2 TIP3 4104 33.676 20.216 -5.381 1.00 0.00 WT1 H ATOM 13900 OH2 TIP3 4106 20.717 80.434 -15.371 1.00 0.00 WT1 O ATOM 13901 H1 TIP3 4106 20.000 80.083 -15.899 1.00 0.00 WT1 H ATOM 13902 H2 TIP3 4106 21.509 80.192 -15.852 1.00 0.00 WT1 H ATOM 13903 OH2 TIP3 4109 50.277 80.692 26.076 1.00 0.00 WT1 O ATOM 13904 H1 TIP3 4109 51.085 80.439 25.630 1.00 0.00 WT1 H ATOM 13905 H2 TIP3 4109 49.768 79.883 26.127 1.00 0.00 WT1 H ATOM 13906 OH2 TIP3 4110 51.945 26.500 21.649 1.00 0.00 WT1 O ATOM 13907 H1 TIP3 4110 51.398 26.850 22.353 1.00 0.00 WT1 H ATOM 13908 H2 TIP3 4110 52.354 27.271 21.257 1.00 0.00 WT1 H ATOM 13909 OH2 TIP3 4112 49.912 42.868 53.850 1.00 0.00 WT1 O ATOM 13910 H1 TIP3 4112 50.151 43.784 53.713 1.00 0.00 WT1 H ATOM 13911 H2 TIP3 4112 49.360 42.878 54.632 1.00 0.00 WT1 H ATOM 13912 OH2 TIP3 4113 45.574 46.407 10.982 1.00 0.00 WT1 O ATOM 13913 H1 TIP3 4113 46.099 47.165 10.729 1.00 0.00 WT1 H ATOM 13914 H2 TIP3 4113 44.950 46.750 11.622 1.00 0.00 WT1 H ATOM 13915 OH2 TIP3 4114 64.228 53.451 61.017 1.00 0.00 WT1 O ATOM 13916 H1 TIP3 4114 63.549 54.083 61.253 1.00 0.00 WT1 H ATOM 13917 H2 TIP3 4114 63.872 52.604 61.284 1.00 0.00 WT1 H ATOM 13918 OH2 TIP3 4115 23.537 95.053 51.316 1.00 0.00 WT1 O ATOM 13919 H1 TIP3 4115 23.172 94.385 51.897 1.00 0.00 WT1 H ATOM 13920 H2 TIP3 4115 24.101 94.566 50.715 1.00 0.00 WT1 H ATOM 13921 OH2 TIP3 4116 47.870 43.287 62.839 1.00 0.00 WT1 O ATOM 13922 H1 TIP3 4116 48.826 43.262 62.807 1.00 0.00 WT1 H ATOM 13923 H2 TIP3 4116 47.590 42.625 62.206 1.00 0.00 WT1 H ATOM 13924 OH2 TIP3 4117 37.158 22.324 54.500 1.00 0.00 WT1 O ATOM 13925 H1 TIP3 4117 36.932 22.652 55.371 1.00 0.00 WT1 H ATOM 13926 H2 TIP3 4117 37.167 23.104 53.945 1.00 0.00 WT1 H ATOM 13927 OH2 TIP3 4118 66.767 36.697 30.717 1.00 0.00 WT1 O ATOM 13928 H1 TIP3 4118 65.847 36.901 30.547 1.00 0.00 WT1 H ATOM 13929 H2 TIP3 4118 67.146 36.558 29.849 1.00 0.00 WT1 H ATOM 13930 OH2 TIP3 4119 81.036 53.405 -12.012 1.00 0.00 WT1 O ATOM 13931 H1 TIP3 4119 81.766 53.301 -12.622 1.00 0.00 WT1 H ATOM 13932 H2 TIP3 4119 80.276 53.071 -12.489 1.00 0.00 WT1 H ATOM 13933 OH2 TIP3 4120 45.591 26.230 51.934 1.00 0.00 WT1 O ATOM 13934 H1 TIP3 4120 45.145 25.420 52.184 1.00 0.00 WT1 H ATOM 13935 H2 TIP3 4120 46.085 26.482 52.714 1.00 0.00 WT1 H ATOM 13936 OH2 TIP3 4121 77.127 57.608 -15.508 1.00 0.00 WT1 O ATOM 13937 H1 TIP3 4121 76.759 57.306 -14.678 1.00 0.00 WT1 H ATOM 13938 H2 TIP3 4121 77.360 58.523 -15.349 1.00 0.00 WT1 H ATOM 13939 OH2 TIP3 4123 66.617 31.066 9.626 1.00 0.00 WT1 O ATOM 13940 H1 TIP3 4123 66.756 31.794 9.021 1.00 0.00 WT1 H ATOM 13941 H2 TIP3 4123 66.044 30.464 9.149 1.00 0.00 WT1 H ATOM 13942 OH2 TIP3 4125 43.921 32.945 5.585 1.00 0.00 WT1 O ATOM 13943 H1 TIP3 4125 44.056 32.022 5.802 1.00 0.00 WT1 H ATOM 13944 H2 TIP3 4125 44.182 33.418 6.375 1.00 0.00 WT1 H ATOM 13945 OH2 TIP3 4130 28.950 52.133 63.688 1.00 0.00 WT1 O ATOM 13946 H1 TIP3 4130 29.624 51.526 63.994 1.00 0.00 WT1 H ATOM 13947 H2 TIP3 4130 29.059 52.910 64.237 1.00 0.00 WT1 H ATOM 13948 OH2 TIP3 4131 72.578 16.472 1.008 1.00 0.00 WT1 O ATOM 13949 H1 TIP3 4131 72.072 16.583 1.813 1.00 0.00 WT1 H ATOM 13950 H2 TIP3 4131 73.199 15.773 1.210 1.00 0.00 WT1 H ATOM 13951 OH2 TIP3 4132 62.329 4.232 23.011 1.00 0.00 WT1 O ATOM 13952 H1 TIP3 4132 61.559 4.801 23.012 1.00 0.00 WT1 H ATOM 13953 H2 TIP3 4132 62.267 3.746 22.189 1.00 0.00 WT1 H ATOM 13954 OH2 TIP3 4133 70.292 61.038 64.627 1.00 0.00 WT1 O ATOM 13955 H1 TIP3 4133 69.507 60.669 64.222 1.00 0.00 WT1 H ATOM 13956 H2 TIP3 4133 70.520 60.417 65.318 1.00 0.00 WT1 H ATOM 13957 OH2 TIP3 4134 48.507 13.258 -1.047 1.00 0.00 WT1 O ATOM 13958 H1 TIP3 4134 49.420 13.547 -1.018 1.00 0.00 WT1 H ATOM 13959 H2 TIP3 4134 48.256 13.167 -0.128 1.00 0.00 WT1 H ATOM 13960 OH2 TIP3 4135 60.928 34.523 24.737 1.00 0.00 WT1 O ATOM 13961 H1 TIP3 4135 60.045 34.400 24.388 1.00 0.00 WT1 H ATOM 13962 H2 TIP3 4135 61.483 34.611 23.962 1.00 0.00 WT1 H ATOM 13963 OH2 TIP3 4136 65.953 7.489 40.154 1.00 0.00 WT1 O ATOM 13964 H1 TIP3 4136 65.301 7.958 39.633 1.00 0.00 WT1 H ATOM 13965 H2 TIP3 4136 66.510 8.177 40.518 1.00 0.00 WT1 H ATOM 13966 OH2 TIP3 4137 32.018 28.863 49.157 1.00 0.00 WT1 O ATOM 13967 H1 TIP3 4137 31.157 28.475 48.996 1.00 0.00 WT1 H ATOM 13968 H2 TIP3 4137 32.328 29.125 48.291 1.00 0.00 WT1 H ATOM 13969 OH2 TIP3 4138 32.510 18.733 -2.031 1.00 0.00 WT1 O ATOM 13970 H1 TIP3 4138 32.443 19.684 -2.111 1.00 0.00 WT1 H ATOM 13971 H2 TIP3 4138 33.405 18.532 -2.307 1.00 0.00 WT1 H ATOM 13972 OH2 TIP3 4139 50.817 86.190 -1.801 1.00 0.00 WT1 O ATOM 13973 H1 TIP3 4139 50.460 85.739 -1.036 1.00 0.00 WT1 H ATOM 13974 H2 TIP3 4139 51.651 85.751 -1.970 1.00 0.00 WT1 H ATOM 13975 OH2 TIP3 4140 62.778 19.686 60.068 1.00 0.00 WT1 O ATOM 13976 H1 TIP3 4140 62.890 20.029 59.181 1.00 0.00 WT1 H ATOM 13977 H2 TIP3 4140 63.473 20.104 60.576 1.00 0.00 WT1 H ATOM 13978 OH2 TIP3 4141 83.715 26.595 4.128 1.00 0.00 WT1 O ATOM 13979 H1 TIP3 4141 84.548 26.424 4.568 1.00 0.00 WT1 H ATOM 13980 H2 TIP3 4141 83.843 27.437 3.692 1.00 0.00 WT1 H ATOM 13981 OH2 TIP3 4142 68.049 40.225 50.341 1.00 0.00 WT1 O ATOM 13982 H1 TIP3 4142 68.277 41.129 50.124 1.00 0.00 WT1 H ATOM 13983 H2 TIP3 4142 67.162 40.112 50.001 1.00 0.00 WT1 H ATOM 13984 OH2 TIP3 4143 80.272 13.795 65.835 1.00 0.00 WT1 O ATOM 13985 H1 TIP3 4143 80.891 14.314 66.349 1.00 0.00 WT1 H ATOM 13986 H2 TIP3 4143 80.141 12.999 66.350 1.00 0.00 WT1 H ATOM 13987 OH2 TIP3 4144 71.274 29.380 10.424 1.00 0.00 WT1 O ATOM 13988 H1 TIP3 4144 70.976 30.073 9.835 1.00 0.00 WT1 H ATOM 13989 H2 TIP3 4144 71.856 28.843 9.886 1.00 0.00 WT1 H ATOM 13990 OH2 TIP3 4145 27.978 94.171 45.094 1.00 0.00 WT1 O ATOM 13991 H1 TIP3 4145 28.591 94.792 45.486 1.00 0.00 WT1 H ATOM 13992 H2 TIP3 4145 27.857 94.486 44.198 1.00 0.00 WT1 H ATOM 13993 OH2 TIP3 4147 25.465 5.538 47.947 1.00 0.00 WT1 O ATOM 13994 H1 TIP3 4147 25.492 5.163 48.828 1.00 0.00 WT1 H ATOM 13995 H2 TIP3 4147 25.924 6.374 48.029 1.00 0.00 WT1 H ATOM 13996 OH2 TIP3 4151 21.990 81.143 -3.382 1.00 0.00 WT1 O ATOM 13997 H1 TIP3 4151 22.470 80.382 -3.055 1.00 0.00 WT1 H ATOM 13998 H2 TIP3 4151 21.070 80.881 -3.344 1.00 0.00 WT1 H ATOM 13999 OH2 TIP3 4153 38.916 76.550 53.549 1.00 0.00 WT1 O ATOM 14000 H1 TIP3 4153 38.572 77.313 54.012 1.00 0.00 WT1 H ATOM 14001 H2 TIP3 4153 39.027 76.847 52.646 1.00 0.00 WT1 H ATOM 14002 OH2 TIP3 4154 55.119 52.420 49.583 1.00 0.00 WT1 O ATOM 14003 H1 TIP3 4154 55.961 52.353 49.133 1.00 0.00 WT1 H ATOM 14004 H2 TIP3 4154 54.467 52.340 48.887 1.00 0.00 WT1 H ATOM 14005 OH2 TIP3 4155 48.523 64.351 65.562 1.00 0.00 WT1 O ATOM 14006 H1 TIP3 4155 48.325 64.989 66.248 1.00 0.00 WT1 H ATOM 14007 H2 TIP3 4155 49.420 64.553 65.297 1.00 0.00 WT1 H ATOM 14008 OH2 TIP3 4156 78.438 86.421 22.408 1.00 0.00 WT1 O ATOM 14009 H1 TIP3 4156 78.375 86.982 23.181 1.00 0.00 WT1 H ATOM 14010 H2 TIP3 4156 78.128 85.566 22.707 1.00 0.00 WT1 H ATOM 14011 OH2 TIP3 4157 79.830 24.097 -19.269 1.00 0.00 WT1 O ATOM 14012 H1 TIP3 4157 79.772 24.187 -20.220 1.00 0.00 WT1 H ATOM 14013 H2 TIP3 4157 78.920 24.062 -18.974 1.00 0.00 WT1 H ATOM 14014 OH2 TIP3 4158 25.960 4.530 -9.562 1.00 0.00 WT1 O ATOM 14015 H1 TIP3 4158 25.712 5.452 -9.501 1.00 0.00 WT1 H ATOM 14016 H2 TIP3 4158 25.501 4.209 -10.339 1.00 0.00 WT1 H ATOM 14017 OH2 TIP3 4159 82.159 42.860 -5.190 1.00 0.00 WT1 O ATOM 14018 H1 TIP3 4159 82.113 42.928 -4.236 1.00 0.00 WT1 H ATOM 14019 H2 TIP3 4159 81.956 43.741 -5.503 1.00 0.00 WT1 H ATOM 14020 OH2 TIP3 4160 35.848 25.326 50.949 1.00 0.00 WT1 O ATOM 14021 H1 TIP3 4160 36.357 25.834 50.317 1.00 0.00 WT1 H ATOM 14022 H2 TIP3 4160 34.970 25.705 50.910 1.00 0.00 WT1 H ATOM 14023 OH2 TIP3 4161 49.151 87.816 63.450 1.00 0.00 WT1 O ATOM 14024 H1 TIP3 4161 49.587 88.566 63.854 1.00 0.00 WT1 H ATOM 14025 H2 TIP3 4161 49.716 87.578 62.714 1.00 0.00 WT1 H ATOM 14026 OH2 TIP3 4162 23.354 65.959 -10.859 1.00 0.00 WT1 O ATOM 14027 H1 TIP3 4162 23.103 65.820 -11.773 1.00 0.00 WT1 H ATOM 14028 H2 TIP3 4162 24.263 65.663 -10.813 1.00 0.00 WT1 H ATOM 14029 OH2 TIP3 4164 84.846 47.928 21.060 1.00 0.00 WT1 O ATOM 14030 H1 TIP3 4164 85.571 48.454 20.721 1.00 0.00 WT1 H ATOM 14031 H2 TIP3 4164 84.060 48.353 20.717 1.00 0.00 WT1 H ATOM 14032 OH2 TIP3 4165 52.625 22.446 20.154 1.00 0.00 WT1 O ATOM 14033 H1 TIP3 4165 52.409 22.820 19.300 1.00 0.00 WT1 H ATOM 14034 H2 TIP3 4165 51.912 22.728 20.727 1.00 0.00 WT1 H ATOM 14035 OH2 TIP3 4166 60.205 27.872 15.620 1.00 0.00 WT1 O ATOM 14036 H1 TIP3 4166 59.674 28.494 15.122 1.00 0.00 WT1 H ATOM 14037 H2 TIP3 4166 60.836 28.417 16.090 1.00 0.00 WT1 H ATOM 14038 OH2 TIP3 4167 47.129 7.194 10.236 1.00 0.00 WT1 O ATOM 14039 H1 TIP3 4167 47.195 7.453 11.155 1.00 0.00 WT1 H ATOM 14040 H2 TIP3 4167 46.254 6.814 10.156 1.00 0.00 WT1 H ATOM 14041 OH2 TIP3 4169 48.330 39.749 58.613 1.00 0.00 WT1 O ATOM 14042 H1 TIP3 4169 48.733 40.220 57.884 1.00 0.00 WT1 H ATOM 14043 H2 TIP3 4169 47.813 39.059 58.196 1.00 0.00 WT1 H ATOM 14044 OH2 TIP3 4173 21.319 56.321 36.386 1.00 0.00 WT1 O ATOM 14045 H1 TIP3 4173 20.589 55.947 36.878 1.00 0.00 WT1 H ATOM 14046 H2 TIP3 4173 21.828 55.563 36.099 1.00 0.00 WT1 H ATOM 14047 OH2 TIP3 4174 46.390 26.937 42.381 1.00 0.00 WT1 O ATOM 14048 H1 TIP3 4174 45.485 27.195 42.554 1.00 0.00 WT1 H ATOM 14049 H2 TIP3 4174 46.820 27.746 42.102 1.00 0.00 WT1 H ATOM 14050 OH2 TIP3 4175 81.384 78.004 15.772 1.00 0.00 WT1 O ATOM 14051 H1 TIP3 4175 80.490 78.210 16.043 1.00 0.00 WT1 H ATOM 14052 H2 TIP3 4175 81.426 77.048 15.789 1.00 0.00 WT1 H ATOM 14053 OH2 TIP3 4177 32.819 2.626 -15.897 1.00 0.00 WT1 O ATOM 14054 H1 TIP3 4177 33.404 1.870 -15.949 1.00 0.00 WT1 H ATOM 14055 H2 TIP3 4177 32.532 2.644 -14.984 1.00 0.00 WT1 H ATOM 14056 OH2 TIP3 4178 82.861 74.716 36.527 1.00 0.00 WT1 O ATOM 14057 H1 TIP3 4178 82.765 73.985 37.138 1.00 0.00 WT1 H ATOM 14058 H2 TIP3 4178 82.900 75.492 37.086 1.00 0.00 WT1 H ATOM 14059 OH2 TIP3 4180 41.395 53.591 40.855 1.00 0.00 WT1 O ATOM 14060 H1 TIP3 4180 41.222 53.690 39.918 1.00 0.00 WT1 H ATOM 14061 H2 TIP3 4180 42.334 53.756 40.944 1.00 0.00 WT1 H ATOM 14062 OH2 TIP3 4181 80.823 48.895 -2.313 1.00 0.00 WT1 O ATOM 14063 H1 TIP3 4181 80.039 48.782 -1.775 1.00 0.00 WT1 H ATOM 14064 H2 TIP3 4181 80.895 49.842 -2.437 1.00 0.00 WT1 H ATOM 14065 OH2 TIP3 4182 49.406 49.632 6.650 1.00 0.00 WT1 O ATOM 14066 H1 TIP3 4182 49.804 49.581 7.519 1.00 0.00 WT1 H ATOM 14067 H2 TIP3 4182 50.072 50.051 6.105 1.00 0.00 WT1 H ATOM 14068 OH2 TIP3 4183 85.273 21.146 -3.186 1.00 0.00 WT1 O ATOM 14069 H1 TIP3 4183 84.747 21.902 -2.925 1.00 0.00 WT1 H ATOM 14070 H2 TIP3 4183 84.707 20.653 -3.780 1.00 0.00 WT1 H ATOM 14071 OH2 TIP3 4184 65.563 61.414 19.758 1.00 0.00 WT1 O ATOM 14072 H1 TIP3 4184 64.749 61.005 19.464 1.00 0.00 WT1 H ATOM 14073 H2 TIP3 4184 66.016 60.725 20.243 1.00 0.00 WT1 H ATOM 14074 OH2 TIP3 4186 71.458 25.846 -12.323 1.00 0.00 WT1 O ATOM 14075 H1 TIP3 4186 71.503 26.798 -12.239 1.00 0.00 WT1 H ATOM 14076 H2 TIP3 4186 72.369 25.572 -12.432 1.00 0.00 WT1 H ATOM 14077 OH2 TIP3 4187 43.900 55.048 9.713 1.00 0.00 WT1 O ATOM 14078 H1 TIP3 4187 44.485 54.751 9.016 1.00 0.00 WT1 H ATOM 14079 H2 TIP3 4187 44.221 55.921 9.940 1.00 0.00 WT1 H ATOM 14080 OH2 TIP3 4189 72.176 27.544 5.235 1.00 0.00 WT1 O ATOM 14081 H1 TIP3 4189 73.104 27.350 5.364 1.00 0.00 WT1 H ATOM 14082 H2 TIP3 4189 71.837 27.695 6.117 1.00 0.00 WT1 H ATOM 14083 OH2 TIP3 4191 37.705 20.863 -19.155 1.00 0.00 WT1 O ATOM 14084 H1 TIP3 4191 38.546 20.887 -18.698 1.00 0.00 WT1 H ATOM 14085 H2 TIP3 4191 37.245 20.116 -18.772 1.00 0.00 WT1 H ATOM 14086 OH2 TIP3 4192 81.947 96.393 38.374 1.00 0.00 WT1 O ATOM 14087 H1 TIP3 4192 81.002 96.259 38.301 1.00 0.00 WT1 H ATOM 14088 H2 TIP3 4192 82.327 95.759 37.767 1.00 0.00 WT1 H ATOM 14089 OH2 TIP3 4194 28.326 24.748 -16.422 1.00 0.00 WT1 O ATOM 14090 H1 TIP3 4194 27.530 25.275 -16.359 1.00 0.00 WT1 H ATOM 14091 H2 TIP3 4194 28.013 23.851 -16.537 1.00 0.00 WT1 H ATOM 14092 OH2 TIP3 4196 79.962 34.695 32.875 1.00 0.00 WT1 O ATOM 14093 H1 TIP3 4196 79.679 34.463 33.760 1.00 0.00 WT1 H ATOM 14094 H2 TIP3 4196 80.892 34.899 32.966 1.00 0.00 WT1 H ATOM 14095 OH2 TIP3 4197 57.822 7.537 29.425 1.00 0.00 WT1 O ATOM 14096 H1 TIP3 4197 58.340 8.218 28.997 1.00 0.00 WT1 H ATOM 14097 H2 TIP3 4197 58.310 7.329 30.222 1.00 0.00 WT1 H ATOM 14098 OH2 TIP3 4198 61.802 17.521 -1.756 1.00 0.00 WT1 O ATOM 14099 H1 TIP3 4198 61.202 16.812 -1.990 1.00 0.00 WT1 H ATOM 14100 H2 TIP3 4198 62.568 17.077 -1.393 1.00 0.00 WT1 H ATOM 14101 OH2 TIP3 4199 59.589 24.669 37.371 1.00 0.00 WT1 O ATOM 14102 H1 TIP3 4199 59.143 23.994 36.861 1.00 0.00 WT1 H ATOM 14103 H2 TIP3 4199 59.913 25.289 36.718 1.00 0.00 WT1 H ATOM 14104 OH2 TIP3 4200 30.363 71.026 -4.770 1.00 0.00 WT1 O ATOM 14105 H1 TIP3 4200 31.208 70.692 -4.470 1.00 0.00 WT1 H ATOM 14106 H2 TIP3 4200 29.752 70.304 -4.618 1.00 0.00 WT1 H ATOM 14107 OH2 TIP3 4201 58.984 8.730 62.762 1.00 0.00 WT1 O ATOM 14108 H1 TIP3 4201 58.413 8.120 62.297 1.00 0.00 WT1 H ATOM 14109 H2 TIP3 4201 58.393 9.231 63.324 1.00 0.00 WT1 H ATOM 14110 OH2 TIP3 4202 42.029 21.543 -13.719 1.00 0.00 WT1 O ATOM 14111 H1 TIP3 4202 42.347 20.993 -13.003 1.00 0.00 WT1 H ATOM 14112 H2 TIP3 4202 41.213 21.127 -13.998 1.00 0.00 WT1 H ATOM 14113 OH2 TIP3 4204 21.693 39.936 63.290 1.00 0.00 WT1 O ATOM 14114 H1 TIP3 4204 22.125 39.353 63.914 1.00 0.00 WT1 H ATOM 14115 H2 TIP3 4204 21.584 40.759 63.767 1.00 0.00 WT1 H ATOM 14116 OH2 TIP3 4205 37.691 46.653 -18.261 1.00 0.00 WT1 O ATOM 14117 H1 TIP3 4205 37.585 47.474 -17.781 1.00 0.00 WT1 H ATOM 14118 H2 TIP3 4205 38.637 46.560 -18.371 1.00 0.00 WT1 H ATOM 14119 OH2 TIP3 4207 24.016 28.650 13.444 1.00 0.00 WT1 O ATOM 14120 H1 TIP3 4207 24.955 28.818 13.370 1.00 0.00 WT1 H ATOM 14121 H2 TIP3 4207 23.834 28.708 14.382 1.00 0.00 WT1 H ATOM 14122 OH2 TIP3 4209 74.163 46.988 -8.997 1.00 0.00 WT1 O ATOM 14123 H1 TIP3 4209 74.040 46.059 -8.799 1.00 0.00 WT1 H ATOM 14124 H2 TIP3 4209 75.049 47.183 -8.692 1.00 0.00 WT1 H ATOM 14125 OH2 TIP3 4217 43.199 11.719 26.073 1.00 0.00 WT1 O ATOM 14126 H1 TIP3 4217 43.358 12.082 25.202 1.00 0.00 WT1 H ATOM 14127 H2 TIP3 4217 43.038 12.484 26.626 1.00 0.00 WT1 H ATOM 14128 OH2 TIP3 4218 49.698 25.193 4.592 1.00 0.00 WT1 O ATOM 14129 H1 TIP3 4218 50.509 25.043 5.077 1.00 0.00 WT1 H ATOM 14130 H2 TIP3 4218 49.010 24.850 5.161 1.00 0.00 WT1 H ATOM 14131 OH2 TIP3 4219 50.670 64.108 49.124 1.00 0.00 WT1 O ATOM 14132 H1 TIP3 4219 50.261 64.762 48.557 1.00 0.00 WT1 H ATOM 14133 H2 TIP3 4219 51.164 63.547 48.526 1.00 0.00 WT1 H ATOM 14134 OH2 TIP3 4220 28.061 10.512 28.524 1.00 0.00 WT1 O ATOM 14135 H1 TIP3 4220 28.598 10.317 29.292 1.00 0.00 WT1 H ATOM 14136 H2 TIP3 4220 28.686 10.564 27.801 1.00 0.00 WT1 H ATOM 14137 OH2 TIP3 4221 72.699 6.321 51.246 1.00 0.00 WT1 O ATOM 14138 H1 TIP3 4221 73.201 7.004 50.801 1.00 0.00 WT1 H ATOM 14139 H2 TIP3 4221 72.245 6.779 51.953 1.00 0.00 WT1 H ATOM 14140 OH2 TIP3 4222 58.260 25.781 -3.786 1.00 0.00 WT1 O ATOM 14141 H1 TIP3 4222 58.725 25.027 -4.148 1.00 0.00 WT1 H ATOM 14142 H2 TIP3 4222 57.438 25.813 -4.276 1.00 0.00 WT1 H ATOM 14143 OH2 TIP3 4223 50.595 58.836 49.853 1.00 0.00 WT1 O ATOM 14144 H1 TIP3 4223 51.397 59.348 49.960 1.00 0.00 WT1 H ATOM 14145 H2 TIP3 4223 49.890 59.481 49.908 1.00 0.00 WT1 H ATOM 14146 OH2 TIP3 4224 64.941 55.802 59.652 1.00 0.00 WT1 O ATOM 14147 H1 TIP3 4224 64.944 54.963 60.114 1.00 0.00 WT1 H ATOM 14148 H2 TIP3 4224 64.107 55.813 59.182 1.00 0.00 WT1 H ATOM 14149 OH2 TIP3 4225 66.841 25.726 1.780 1.00 0.00 WT1 O ATOM 14150 H1 TIP3 4225 66.600 26.639 1.937 1.00 0.00 WT1 H ATOM 14151 H2 TIP3 4225 67.392 25.491 2.527 1.00 0.00 WT1 H ATOM 14152 OH2 TIP3 4226 55.971 26.232 -5.238 1.00 0.00 WT1 O ATOM 14153 H1 TIP3 4226 55.945 25.285 -5.100 1.00 0.00 WT1 H ATOM 14154 H2 TIP3 4226 55.055 26.482 -5.360 1.00 0.00 WT1 H ATOM 14155 OH2 TIP3 4227 39.703 43.761 -1.465 1.00 0.00 WT1 O ATOM 14156 H1 TIP3 4227 40.322 44.491 -1.451 1.00 0.00 WT1 H ATOM 14157 H2 TIP3 4227 39.906 43.259 -0.675 1.00 0.00 WT1 H ATOM 14158 OH2 TIP3 4228 43.667 71.959 -14.803 1.00 0.00 WT1 O ATOM 14159 H1 TIP3 4228 43.411 72.566 -15.496 1.00 0.00 WT1 H ATOM 14160 H2 TIP3 4228 42.846 71.741 -14.360 1.00 0.00 WT1 H ATOM 14161 OH2 TIP3 4229 76.555 13.903 53.354 1.00 0.00 WT1 O ATOM 14162 H1 TIP3 4229 76.938 14.692 53.738 1.00 0.00 WT1 H ATOM 14163 H2 TIP3 4229 75.736 13.777 53.834 1.00 0.00 WT1 H ATOM 14164 OH2 TIP3 4231 26.964 18.437 44.374 1.00 0.00 WT1 O ATOM 14165 H1 TIP3 4231 26.415 17.875 43.826 1.00 0.00 WT1 H ATOM 14166 H2 TIP3 4231 26.794 19.323 44.055 1.00 0.00 WT1 H ATOM 14167 OH2 TIP3 4232 65.070 16.819 23.206 1.00 0.00 WT1 O ATOM 14168 H1 TIP3 4232 64.708 17.689 23.036 1.00 0.00 WT1 H ATOM 14169 H2 TIP3 4232 65.730 16.963 23.884 1.00 0.00 WT1 H ATOM 14170 OH2 TIP3 4234 30.943 29.263 -6.791 1.00 0.00 WT1 O ATOM 14171 H1 TIP3 4234 31.796 29.422 -7.196 1.00 0.00 WT1 H ATOM 14172 H2 TIP3 4234 30.973 29.751 -5.968 1.00 0.00 WT1 H ATOM 14173 OH2 TIP3 4239 22.524 4.652 -10.249 1.00 0.00 WT1 O ATOM 14174 H1 TIP3 4239 22.578 4.585 -9.295 1.00 0.00 WT1 H ATOM 14175 H2 TIP3 4239 22.098 3.839 -10.522 1.00 0.00 WT1 H ATOM 14176 OH2 TIP3 4240 43.661 57.808 47.633 1.00 0.00 WT1 O ATOM 14177 H1 TIP3 4240 43.626 58.579 47.066 1.00 0.00 WT1 H ATOM 14178 H2 TIP3 4240 43.975 58.142 48.473 1.00 0.00 WT1 H ATOM 14179 OH2 TIP3 4241 56.394 22.746 60.350 1.00 0.00 WT1 O ATOM 14180 H1 TIP3 4241 55.509 22.442 60.148 1.00 0.00 WT1 H ATOM 14181 H2 TIP3 4241 56.452 22.701 61.305 1.00 0.00 WT1 H ATOM 14182 OH2 TIP3 4243 57.702 4.547 -8.083 1.00 0.00 WT1 O ATOM 14183 H1 TIP3 4243 58.602 4.277 -7.901 1.00 0.00 WT1 H ATOM 14184 H2 TIP3 4243 57.192 3.739 -8.025 1.00 0.00 WT1 H ATOM 14185 OH2 TIP3 4245 52.489 35.481 -9.834 1.00 0.00 WT1 O ATOM 14186 H1 TIP3 4245 52.875 34.732 -9.381 1.00 0.00 WT1 H ATOM 14187 H2 TIP3 4245 53.059 36.217 -9.611 1.00 0.00 WT1 H ATOM 14188 OH2 TIP3 4246 22.997 90.724 48.460 1.00 0.00 WT1 O ATOM 14189 H1 TIP3 4246 22.663 91.160 49.243 1.00 0.00 WT1 H ATOM 14190 H2 TIP3 4246 22.377 90.962 47.770 1.00 0.00 WT1 H ATOM 14191 OH2 TIP3 4247 59.521 73.449 -11.631 1.00 0.00 WT1 O ATOM 14192 H1 TIP3 4247 59.048 73.086 -10.882 1.00 0.00 WT1 H ATOM 14193 H2 TIP3 4247 60.326 73.806 -11.256 1.00 0.00 WT1 H ATOM 14194 OH2 TIP3 4249 61.974 29.202 48.204 1.00 0.00 WT1 O ATOM 14195 H1 TIP3 4249 61.018 29.250 48.192 1.00 0.00 WT1 H ATOM 14196 H2 TIP3 4249 62.202 29.194 49.133 1.00 0.00 WT1 H ATOM 14197 OH2 TIP3 4251 86.369 19.513 3.772 1.00 0.00 WT1 O ATOM 14198 H1 TIP3 4251 87.275 19.535 4.079 1.00 0.00 WT1 H ATOM 14199 H2 TIP3 4251 86.397 18.981 2.977 1.00 0.00 WT1 H ATOM 14200 OH2 TIP3 4255 51.450 42.132 25.954 1.00 0.00 WT1 O ATOM 14201 H1 TIP3 4255 52.283 42.263 25.502 1.00 0.00 WT1 H ATOM 14202 H2 TIP3 4255 51.554 42.591 26.787 1.00 0.00 WT1 H ATOM 14203 OH2 TIP3 4258 53.669 44.373 39.304 1.00 0.00 WT1 O ATOM 14204 H1 TIP3 4258 53.823 44.581 38.383 1.00 0.00 WT1 H ATOM 14205 H2 TIP3 4258 54.543 44.323 39.690 1.00 0.00 WT1 H ATOM 14206 OH2 TIP3 4259 38.543 45.047 45.297 1.00 0.00 WT1 O ATOM 14207 H1 TIP3 4259 38.536 45.991 45.143 1.00 0.00 WT1 H ATOM 14208 H2 TIP3 4259 38.452 44.958 46.246 1.00 0.00 WT1 H ATOM 14209 OH2 TIP3 4261 74.281 39.227 17.231 1.00 0.00 WT1 O ATOM 14210 H1 TIP3 4261 74.456 40.133 16.978 1.00 0.00 WT1 H ATOM 14211 H2 TIP3 4261 74.739 38.702 16.573 1.00 0.00 WT1 H ATOM 14212 OH2 TIP3 4262 83.700 31.502 0.896 1.00 0.00 WT1 O ATOM 14213 H1 TIP3 4262 83.255 32.275 0.547 1.00 0.00 WT1 H ATOM 14214 H2 TIP3 4262 83.441 31.473 1.817 1.00 0.00 WT1 H ATOM 14215 OH2 TIP3 4263 21.740 86.416 39.583 1.00 0.00 WT1 O ATOM 14216 H1 TIP3 4263 22.355 87.055 39.221 1.00 0.00 WT1 H ATOM 14217 H2 TIP3 4263 21.413 85.939 38.821 1.00 0.00 WT1 H ATOM 14218 OH2 TIP3 4264 54.731 37.342 38.559 1.00 0.00 WT1 O ATOM 14219 H1 TIP3 4264 55.424 37.864 38.154 1.00 0.00 WT1 H ATOM 14220 H2 TIP3 4264 54.260 37.960 39.118 1.00 0.00 WT1 H ATOM 14221 OH2 TIP3 4266 81.424 61.370 66.473 1.00 0.00 WT1 O ATOM 14222 H1 TIP3 4266 81.160 61.200 67.377 1.00 0.00 WT1 H ATOM 14223 H2 TIP3 4266 82.369 61.520 66.524 1.00 0.00 WT1 H ATOM 14224 OH2 TIP3 4267 49.049 18.726 -3.374 1.00 0.00 WT1 O ATOM 14225 H1 TIP3 4267 49.743 19.370 -3.235 1.00 0.00 WT1 H ATOM 14226 H2 TIP3 4267 49.011 18.233 -2.555 1.00 0.00 WT1 H ATOM 14227 OH2 TIP3 4268 60.656 92.804 15.804 1.00 0.00 WT1 O ATOM 14228 H1 TIP3 4268 60.067 92.411 16.449 1.00 0.00 WT1 H ATOM 14229 H2 TIP3 4268 61.367 92.170 15.712 1.00 0.00 WT1 H ATOM 14230 OH2 TIP3 4269 82.703 34.284 5.301 1.00 0.00 WT1 O ATOM 14231 H1 TIP3 4269 83.433 34.902 5.285 1.00 0.00 WT1 H ATOM 14232 H2 TIP3 4269 81.932 34.828 5.461 1.00 0.00 WT1 H ATOM 14233 OH2 TIP3 4273 51.563 5.828 -19.755 1.00 0.00 WT1 O ATOM 14234 H1 TIP3 4273 52.141 5.279 -20.286 1.00 0.00 WT1 H ATOM 14235 H2 TIP3 4273 51.095 5.210 -19.193 1.00 0.00 WT1 H ATOM 14236 OH2 TIP3 4279 32.897 33.426 7.541 1.00 0.00 WT1 O ATOM 14237 H1 TIP3 4279 33.769 33.474 7.150 1.00 0.00 WT1 H ATOM 14238 H2 TIP3 4279 32.304 33.690 6.837 1.00 0.00 WT1 H ATOM 14239 OH2 TIP3 4282 46.184 36.061 55.158 1.00 0.00 WT1 O ATOM 14240 H1 TIP3 4282 46.433 36.920 54.816 1.00 0.00 WT1 H ATOM 14241 H2 TIP3 4282 46.589 36.021 56.024 1.00 0.00 WT1 H ATOM 14242 OH2 TIP3 4283 75.856 50.835 47.904 1.00 0.00 WT1 O ATOM 14243 H1 TIP3 4283 75.079 51.269 47.552 1.00 0.00 WT1 H ATOM 14244 H2 TIP3 4283 76.395 50.649 47.135 1.00 0.00 WT1 H ATOM 14245 OH2 TIP3 4284 68.199 68.553 50.898 1.00 0.00 WT1 O ATOM 14246 H1 TIP3 4284 67.938 69.022 51.690 1.00 0.00 WT1 H ATOM 14247 H2 TIP3 4284 68.433 67.676 51.204 1.00 0.00 WT1 H ATOM 14248 OH2 TIP3 4286 47.284 6.615 48.304 1.00 0.00 WT1 O ATOM 14249 H1 TIP3 4286 46.763 5.995 48.814 1.00 0.00 WT1 H ATOM 14250 H2 TIP3 4286 46.972 6.508 47.405 1.00 0.00 WT1 H ATOM 14251 OH2 TIP3 4287 63.799 69.726 -14.909 1.00 0.00 WT1 O ATOM 14252 H1 TIP3 4287 64.039 70.632 -15.102 1.00 0.00 WT1 H ATOM 14253 H2 TIP3 4287 64.636 69.270 -14.819 1.00 0.00 WT1 H ATOM 14254 OH2 TIP3 4288 61.939 9.328 20.026 1.00 0.00 WT1 O ATOM 14255 H1 TIP3 4288 62.240 8.962 19.194 1.00 0.00 WT1 H ATOM 14256 H2 TIP3 4288 62.681 9.844 20.343 1.00 0.00 WT1 H ATOM 14257 OH2 TIP3 4289 57.548 3.694 14.344 1.00 0.00 WT1 O ATOM 14258 H1 TIP3 4289 57.063 3.475 15.139 1.00 0.00 WT1 H ATOM 14259 H2 TIP3 4289 58.319 4.167 14.657 1.00 0.00 WT1 H ATOM 14260 OH2 TIP3 4290 38.230 22.837 61.878 1.00 0.00 WT1 O ATOM 14261 H1 TIP3 4290 38.748 23.534 62.280 1.00 0.00 WT1 H ATOM 14262 H2 TIP3 4290 38.879 22.213 61.552 1.00 0.00 WT1 H ATOM 14263 OH2 TIP3 4292 73.240 49.730 26.666 1.00 0.00 WT1 O ATOM 14264 H1 TIP3 4292 72.544 49.179 26.307 1.00 0.00 WT1 H ATOM 14265 H2 TIP3 4292 73.739 50.015 25.900 1.00 0.00 WT1 H ATOM 14266 OH2 TIP3 4294 25.745 63.199 60.489 1.00 0.00 WT1 O ATOM 14267 H1 TIP3 4294 26.548 63.580 60.843 1.00 0.00 WT1 H ATOM 14268 H2 TIP3 4294 25.337 62.761 61.237 1.00 0.00 WT1 H ATOM 14269 OH2 TIP3 4296 89.215 23.865 40.237 1.00 0.00 WT1 O ATOM 14270 H1 TIP3 4296 89.165 24.268 39.370 1.00 0.00 WT1 H ATOM 14271 H2 TIP3 4296 90.126 23.582 40.318 1.00 0.00 WT1 H ATOM 14272 OH2 TIP3 4297 39.187 21.779 14.581 1.00 0.00 WT1 O ATOM 14273 H1 TIP3 4297 39.597 21.859 13.720 1.00 0.00 WT1 H ATOM 14274 H2 TIP3 4297 39.715 21.124 15.038 1.00 0.00 WT1 H ATOM 14275 OH2 TIP3 4299 44.283 89.352 12.892 1.00 0.00 WT1 O ATOM 14276 H1 TIP3 4299 43.617 89.575 12.242 1.00 0.00 WT1 H ATOM 14277 H2 TIP3 4299 45.095 89.714 12.537 1.00 0.00 WT1 H ATOM 14278 OH2 TIP3 4301 58.171 34.618 49.842 1.00 0.00 WT1 O ATOM 14279 H1 TIP3 4301 58.649 34.212 49.120 1.00 0.00 WT1 H ATOM 14280 H2 TIP3 4301 58.283 35.559 49.706 1.00 0.00 WT1 H ATOM 14281 OH2 TIP3 4303 47.945 83.015 57.521 1.00 0.00 WT1 O ATOM 14282 H1 TIP3 4303 47.623 83.287 58.381 1.00 0.00 WT1 H ATOM 14283 H2 TIP3 4303 48.078 82.070 57.603 1.00 0.00 WT1 H ATOM 14284 OH2 TIP3 4304 89.974 82.834 -13.758 1.00 0.00 WT1 O ATOM 14285 H1 TIP3 4304 90.264 82.121 -13.190 1.00 0.00 WT1 H ATOM 14286 H2 TIP3 4304 90.478 82.719 -14.564 1.00 0.00 WT1 H ATOM 14287 OH2 TIP3 4306 63.451 49.671 5.696 1.00 0.00 WT1 O ATOM 14288 H1 TIP3 4306 64.209 49.962 5.190 1.00 0.00 WT1 H ATOM 14289 H2 TIP3 4306 63.426 50.259 6.451 1.00 0.00 WT1 H ATOM 14290 OH2 TIP3 4307 36.997 10.616 13.446 1.00 0.00 WT1 O ATOM 14291 H1 TIP3 4307 36.975 9.740 13.060 1.00 0.00 WT1 H ATOM 14292 H2 TIP3 4307 36.161 10.697 13.905 1.00 0.00 WT1 H ATOM 14293 OH2 TIP3 4308 22.576 40.149 12.240 1.00 0.00 WT1 O ATOM 14294 H1 TIP3 4308 21.851 39.525 12.271 1.00 0.00 WT1 H ATOM 14295 H2 TIP3 4308 22.158 40.994 12.073 1.00 0.00 WT1 H ATOM 14296 OH2 TIP3 4309 67.070 58.318 28.039 1.00 0.00 WT1 O ATOM 14297 H1 TIP3 4309 66.387 57.823 28.490 1.00 0.00 WT1 H ATOM 14298 H2 TIP3 4309 66.718 58.469 27.161 1.00 0.00 WT1 H ATOM 14299 OH2 TIP3 4311 68.760 72.923 -9.543 1.00 0.00 WT1 O ATOM 14300 H1 TIP3 4311 68.407 72.635 -8.701 1.00 0.00 WT1 H ATOM 14301 H2 TIP3 4311 67.997 73.242 -10.026 1.00 0.00 WT1 H ATOM 14302 OH2 TIP3 4312 75.314 30.571 18.466 1.00 0.00 WT1 O ATOM 14303 H1 TIP3 4312 76.039 31.187 18.569 1.00 0.00 WT1 H ATOM 14304 H2 TIP3 4312 75.034 30.378 19.361 1.00 0.00 WT1 H ATOM 14305 OH2 TIP3 4313 90.130 25.980 42.992 1.00 0.00 WT1 O ATOM 14306 H1 TIP3 4313 90.167 26.505 42.192 1.00 0.00 WT1 H ATOM 14307 H2 TIP3 4313 91.039 25.728 43.155 1.00 0.00 WT1 H ATOM 14308 OH2 TIP3 4317 58.642 72.999 -9.120 1.00 0.00 WT1 O ATOM 14309 H1 TIP3 4317 57.693 73.068 -9.224 1.00 0.00 WT1 H ATOM 14310 H2 TIP3 4317 58.769 72.830 -8.186 1.00 0.00 WT1 H ATOM 14311 OH2 TIP3 4318 76.518 39.195 36.189 1.00 0.00 WT1 O ATOM 14312 H1 TIP3 4318 77.305 38.956 36.679 1.00 0.00 WT1 H ATOM 14313 H2 TIP3 4318 76.519 40.153 36.187 1.00 0.00 WT1 H ATOM 14314 OH2 TIP3 4319 39.655 49.481 36.167 1.00 0.00 WT1 O ATOM 14315 H1 TIP3 4319 39.572 50.401 35.917 1.00 0.00 WT1 H ATOM 14316 H2 TIP3 4319 39.470 49.469 37.106 1.00 0.00 WT1 H ATOM 14317 OH2 TIP3 4321 48.652 19.214 66.857 1.00 0.00 WT1 O ATOM 14318 H1 TIP3 4321 49.316 18.762 67.379 1.00 0.00 WT1 H ATOM 14319 H2 TIP3 4321 49.153 19.738 66.233 1.00 0.00 WT1 H ATOM 14320 OH2 TIP3 4322 58.464 59.907 41.600 1.00 0.00 WT1 O ATOM 14321 H1 TIP3 4322 58.284 59.784 40.668 1.00 0.00 WT1 H ATOM 14322 H2 TIP3 4322 57.600 60.004 42.001 1.00 0.00 WT1 H ATOM 14323 OH2 TIP3 4323 55.352 61.686 41.467 1.00 0.00 WT1 O ATOM 14324 H1 TIP3 4323 55.547 61.458 40.558 1.00 0.00 WT1 H ATOM 14325 H2 TIP3 4323 55.573 60.899 41.965 1.00 0.00 WT1 H ATOM 14326 OH2 TIP3 4325 47.078 52.632 10.605 1.00 0.00 WT1 O ATOM 14327 H1 TIP3 4325 47.098 52.424 11.539 1.00 0.00 WT1 H ATOM 14328 H2 TIP3 4325 47.981 52.868 10.393 1.00 0.00 WT1 H ATOM 14329 OH2 TIP3 4326 35.860 17.800 59.197 1.00 0.00 WT1 O ATOM 14330 H1 TIP3 4326 34.990 17.709 58.808 1.00 0.00 WT1 H ATOM 14331 H2 TIP3 4326 35.700 18.190 60.056 1.00 0.00 WT1 H ATOM 14332 OH2 TIP3 4328 40.553 47.756 10.304 1.00 0.00 WT1 O ATOM 14333 H1 TIP3 4328 41.226 48.437 10.283 1.00 0.00 WT1 H ATOM 14334 H2 TIP3 4328 40.774 47.224 11.068 1.00 0.00 WT1 H ATOM 14335 OH2 TIP3 4329 35.759 30.350 31.960 1.00 0.00 WT1 O ATOM 14336 H1 TIP3 4329 35.365 31.190 32.194 1.00 0.00 WT1 H ATOM 14337 H2 TIP3 4329 36.354 30.556 31.240 1.00 0.00 WT1 H ATOM 14338 OH2 TIP3 4330 46.139 72.502 14.972 1.00 0.00 WT1 O ATOM 14339 H1 TIP3 4330 46.347 71.675 15.407 1.00 0.00 WT1 H ATOM 14340 H2 TIP3 4330 46.316 72.336 14.046 1.00 0.00 WT1 H ATOM 14341 OH2 TIP3 4333 63.202 37.591 25.975 1.00 0.00 WT1 O ATOM 14342 H1 TIP3 4333 62.458 38.090 25.639 1.00 0.00 WT1 H ATOM 14343 H2 TIP3 4333 62.864 36.702 26.088 1.00 0.00 WT1 H ATOM 14344 OH2 TIP3 4334 36.909 89.794 33.198 1.00 0.00 WT1 O ATOM 14345 H1 TIP3 4334 37.315 89.154 32.613 1.00 0.00 WT1 H ATOM 14346 H2 TIP3 4334 37.387 90.607 33.034 1.00 0.00 WT1 H ATOM 14347 OH2 TIP3 4336 44.994 82.596 -18.362 1.00 0.00 WT1 O ATOM 14348 H1 TIP3 4336 44.661 83.388 -17.940 1.00 0.00 WT1 H ATOM 14349 H2 TIP3 4336 44.967 82.793 -19.298 1.00 0.00 WT1 H ATOM 14350 OH2 TIP3 4337 34.076 22.205 2.453 1.00 0.00 WT1 O ATOM 14351 H1 TIP3 4337 34.542 22.083 3.280 1.00 0.00 WT1 H ATOM 14352 H2 TIP3 4337 34.017 23.155 2.349 1.00 0.00 WT1 H ATOM 14353 OH2 TIP3 4340 56.126 45.859 23.401 1.00 0.00 WT1 O ATOM 14354 H1 TIP3 4340 55.372 46.347 23.731 1.00 0.00 WT1 H ATOM 14355 H2 TIP3 4340 56.559 46.465 22.799 1.00 0.00 WT1 H ATOM 14356 OH2 TIP3 4343 55.394 34.320 -18.547 1.00 0.00 WT1 O ATOM 14357 H1 TIP3 4343 56.223 34.783 -18.430 1.00 0.00 WT1 H ATOM 14358 H2 TIP3 4343 55.316 33.767 -17.769 1.00 0.00 WT1 H ATOM 14359 OH2 TIP3 4344 43.883 26.959 43.320 1.00 0.00 WT1 O ATOM 14360 H1 TIP3 4344 43.589 27.051 44.226 1.00 0.00 WT1 H ATOM 14361 H2 TIP3 4344 43.075 26.857 42.816 1.00 0.00 WT1 H ATOM 14362 OH2 TIP3 4346 62.730 13.044 29.709 1.00 0.00 WT1 O ATOM 14363 H1 TIP3 4346 63.036 13.911 29.975 1.00 0.00 WT1 H ATOM 14364 H2 TIP3 4346 61.920 12.914 30.201 1.00 0.00 WT1 H ATOM 14365 OH2 TIP3 4347 25.860 93.907 21.997 1.00 0.00 WT1 O ATOM 14366 H1 TIP3 4347 26.789 93.702 22.107 1.00 0.00 WT1 H ATOM 14367 H2 TIP3 4347 25.407 93.096 22.226 1.00 0.00 WT1 H ATOM 14368 OH2 TIP3 4350 58.439 18.200 46.124 1.00 0.00 WT1 O ATOM 14369 H1 TIP3 4350 58.915 17.992 45.320 1.00 0.00 WT1 H ATOM 14370 H2 TIP3 4350 58.532 17.418 46.668 1.00 0.00 WT1 H ATOM 14371 OH2 TIP3 4351 77.290 26.462 60.395 1.00 0.00 WT1 O ATOM 14372 H1 TIP3 4351 78.108 26.845 60.713 1.00 0.00 WT1 H ATOM 14373 H2 TIP3 4351 77.332 25.546 60.668 1.00 0.00 WT1 H ATOM 14374 OH2 TIP3 4352 47.496 80.532 13.142 1.00 0.00 WT1 O ATOM 14375 H1 TIP3 4352 46.828 80.216 13.751 1.00 0.00 WT1 H ATOM 14376 H2 TIP3 4352 48.326 80.286 13.550 1.00 0.00 WT1 H ATOM 14377 OH2 TIP3 4353 27.605 96.034 20.287 1.00 0.00 WT1 O ATOM 14378 H1 TIP3 4353 27.230 95.227 20.639 1.00 0.00 WT1 H ATOM 14379 H2 TIP3 4353 28.341 95.742 19.750 1.00 0.00 WT1 H ATOM 14380 OH2 TIP3 4355 82.130 81.621 -2.826 1.00 0.00 WT1 O ATOM 14381 H1 TIP3 4355 82.360 82.454 -2.415 1.00 0.00 WT1 H ATOM 14382 H2 TIP3 4355 82.223 80.975 -2.126 1.00 0.00 WT1 H ATOM 14383 OH2 TIP3 4356 76.170 13.215 -11.549 1.00 0.00 WT1 O ATOM 14384 H1 TIP3 4356 75.426 12.686 -11.839 1.00 0.00 WT1 H ATOM 14385 H2 TIP3 4356 75.970 14.099 -11.857 1.00 0.00 WT1 H ATOM 14386 OH2 TIP3 4357 61.343 76.149 55.344 1.00 0.00 WT1 O ATOM 14387 H1 TIP3 4357 61.067 75.913 56.230 1.00 0.00 WT1 H ATOM 14388 H2 TIP3 4357 60.528 76.354 54.886 1.00 0.00 WT1 H ATOM 14389 OH2 TIP3 4363 28.466 5.822 54.027 1.00 0.00 WT1 O ATOM 14390 H1 TIP3 4363 27.938 5.891 53.231 1.00 0.00 WT1 H ATOM 14391 H2 TIP3 4363 29.284 5.416 53.737 1.00 0.00 WT1 H ATOM 14392 OH2 TIP3 4364 41.019 51.021 -5.587 1.00 0.00 WT1 O ATOM 14393 H1 TIP3 4364 41.905 51.377 -5.511 1.00 0.00 WT1 H ATOM 14394 H2 TIP3 4364 41.052 50.195 -5.105 1.00 0.00 WT1 H ATOM 14395 OH2 TIP3 4365 31.239 90.450 42.875 1.00 0.00 WT1 O ATOM 14396 H1 TIP3 4365 31.303 89.541 43.167 1.00 0.00 WT1 H ATOM 14397 H2 TIP3 4365 30.476 90.463 42.297 1.00 0.00 WT1 H ATOM 14398 OH2 TIP3 4366 27.250 79.457 51.007 1.00 0.00 WT1 O ATOM 14399 H1 TIP3 4366 26.675 80.032 50.503 1.00 0.00 WT1 H ATOM 14400 H2 TIP3 4366 27.001 78.573 50.737 1.00 0.00 WT1 H ATOM 14401 OH2 TIP3 4372 86.777 56.252 51.346 1.00 0.00 WT1 O ATOM 14402 H1 TIP3 4372 86.872 56.671 50.490 1.00 0.00 WT1 H ATOM 14403 H2 TIP3 4372 87.615 56.407 51.782 1.00 0.00 WT1 H ATOM 14404 OH2 TIP3 4373 86.117 82.841 51.401 1.00 0.00 WT1 O ATOM 14405 H1 TIP3 4373 86.285 83.075 50.488 1.00 0.00 WT1 H ATOM 14406 H2 TIP3 4373 86.469 83.574 51.906 1.00 0.00 WT1 H ATOM 14407 OH2 TIP3 4374 86.184 4.367 58.838 1.00 0.00 WT1 O ATOM 14408 H1 TIP3 4374 86.020 4.975 59.559 1.00 0.00 WT1 H ATOM 14409 H2 TIP3 4374 86.572 3.598 59.256 1.00 0.00 WT1 H ATOM 14410 OH2 TIP3 4375 38.966 65.760 18.581 1.00 0.00 WT1 O ATOM 14411 H1 TIP3 4375 39.442 65.300 17.890 1.00 0.00 WT1 H ATOM 14412 H2 TIP3 4375 38.271 65.154 18.837 1.00 0.00 WT1 H ATOM 14413 OH2 TIP3 4376 78.179 67.593 -10.948 1.00 0.00 WT1 O ATOM 14414 H1 TIP3 4376 77.580 68.274 -10.640 1.00 0.00 WT1 H ATOM 14415 H2 TIP3 4376 77.814 66.779 -10.602 1.00 0.00 WT1 H ATOM 14416 OH2 TIP3 4377 41.552 85.822 50.896 1.00 0.00 WT1 O ATOM 14417 H1 TIP3 4377 40.683 86.219 50.836 1.00 0.00 WT1 H ATOM 14418 H2 TIP3 4377 42.013 86.350 51.548 1.00 0.00 WT1 H ATOM 14419 OH2 TIP3 4378 29.191 85.376 38.945 1.00 0.00 WT1 O ATOM 14420 H1 TIP3 4378 28.405 84.839 39.044 1.00 0.00 WT1 H ATOM 14421 H2 TIP3 4378 29.649 85.289 39.781 1.00 0.00 WT1 H ATOM 14422 OH2 TIP3 4379 32.312 35.244 60.203 1.00 0.00 WT1 O ATOM 14423 H1 TIP3 4379 32.289 35.681 61.054 1.00 0.00 WT1 H ATOM 14424 H2 TIP3 4379 31.393 35.170 59.946 1.00 0.00 WT1 H ATOM 14425 OH2 TIP3 4380 58.840 3.270 7.015 1.00 0.00 WT1 O ATOM 14426 H1 TIP3 4380 57.914 3.309 6.775 1.00 0.00 WT1 H ATOM 14427 H2 TIP3 4380 59.117 4.186 7.050 1.00 0.00 WT1 H ATOM 14428 OH2 TIP3 4381 57.445 74.206 32.582 1.00 0.00 WT1 O ATOM 14429 H1 TIP3 4381 56.497 74.328 32.625 1.00 0.00 WT1 H ATOM 14430 H2 TIP3 4381 57.588 73.318 32.908 1.00 0.00 WT1 H ATOM 14431 OH2 TIP3 4382 24.240 61.839 31.959 1.00 0.00 WT1 O ATOM 14432 H1 TIP3 4382 24.690 62.413 31.339 1.00 0.00 WT1 H ATOM 14433 H2 TIP3 4382 24.316 60.965 31.575 1.00 0.00 WT1 H ATOM 14434 OH2 TIP3 4383 82.383 56.933 -14.636 1.00 0.00 WT1 O ATOM 14435 H1 TIP3 4383 82.004 57.635 -14.106 1.00 0.00 WT1 H ATOM 14436 H2 TIP3 4383 81.626 56.466 -14.992 1.00 0.00 WT1 H ATOM 14437 OH2 TIP3 4384 41.149 51.007 41.951 1.00 0.00 WT1 O ATOM 14438 H1 TIP3 4384 41.833 50.793 41.317 1.00 0.00 WT1 H ATOM 14439 H2 TIP3 4384 40.964 51.934 41.802 1.00 0.00 WT1 H ATOM 14440 OH2 TIP3 4386 82.384 91.271 -13.321 1.00 0.00 WT1 O ATOM 14441 H1 TIP3 4386 82.829 90.532 -12.906 1.00 0.00 WT1 H ATOM 14442 H2 TIP3 4386 81.916 90.885 -14.061 1.00 0.00 WT1 H ATOM 14443 OH2 TIP3 4387 40.689 76.621 -18.801 1.00 0.00 WT1 O ATOM 14444 H1 TIP3 4387 40.688 75.689 -18.585 1.00 0.00 WT1 H ATOM 14445 H2 TIP3 4387 40.910 77.058 -17.979 1.00 0.00 WT1 H ATOM 14446 OH2 TIP3 4388 35.726 78.851 -19.309 1.00 0.00 WT1 O ATOM 14447 H1 TIP3 4388 35.020 79.451 -19.548 1.00 0.00 WT1 H ATOM 14448 H2 TIP3 4388 36.210 78.713 -20.123 1.00 0.00 WT1 H ATOM 14449 OH2 TIP3 4389 90.383 20.159 47.627 1.00 0.00 WT1 O ATOM 14450 H1 TIP3 4389 89.463 19.946 47.787 1.00 0.00 WT1 H ATOM 14451 H2 TIP3 4389 90.514 19.970 46.698 1.00 0.00 WT1 H ATOM 14452 OH2 TIP3 4390 71.524 28.645 -14.892 1.00 0.00 WT1 O ATOM 14453 H1 TIP3 4390 72.044 29.397 -15.173 1.00 0.00 WT1 H ATOM 14454 H2 TIP3 4390 71.476 28.728 -13.940 1.00 0.00 WT1 H ATOM 14455 OH2 TIP3 4391 61.427 23.453 43.819 1.00 0.00 WT1 O ATOM 14456 H1 TIP3 4391 60.750 23.440 43.142 1.00 0.00 WT1 H ATOM 14457 H2 TIP3 4391 61.920 24.255 43.650 1.00 0.00 WT1 H ATOM 14458 OH2 TIP3 4392 63.657 78.521 58.304 1.00 0.00 WT1 O ATOM 14459 H1 TIP3 4392 63.401 77.955 59.033 1.00 0.00 WT1 H ATOM 14460 H2 TIP3 4392 62.849 78.658 57.810 1.00 0.00 WT1 H ATOM 14461 OH2 TIP3 4394 28.500 38.828 -2.439 1.00 0.00 WT1 O ATOM 14462 H1 TIP3 4394 27.845 39.522 -2.518 1.00 0.00 WT1 H ATOM 14463 H2 TIP3 4394 29.180 39.203 -1.879 1.00 0.00 WT1 H ATOM 14464 OH2 TIP3 4395 69.410 51.169 22.823 1.00 0.00 WT1 O ATOM 14465 H1 TIP3 4395 69.088 52.007 23.156 1.00 0.00 WT1 H ATOM 14466 H2 TIP3 4395 69.785 51.378 21.968 1.00 0.00 WT1 H ATOM 14467 OH2 TIP3 4396 25.589 50.402 -7.104 1.00 0.00 WT1 O ATOM 14468 H1 TIP3 4396 24.910 50.547 -6.444 1.00 0.00 WT1 H ATOM 14469 H2 TIP3 4396 25.355 50.990 -7.822 1.00 0.00 WT1 H ATOM 14470 OH2 TIP3 4397 48.178 93.600 -3.942 1.00 0.00 WT1 O ATOM 14471 H1 TIP3 4397 48.279 92.806 -4.467 1.00 0.00 WT1 H ATOM 14472 H2 TIP3 4397 48.385 93.325 -3.049 1.00 0.00 WT1 H ATOM 14473 OH2 TIP3 4398 43.156 50.400 -1.998 1.00 0.00 WT1 O ATOM 14474 H1 TIP3 4398 43.639 50.548 -1.184 1.00 0.00 WT1 H ATOM 14475 H2 TIP3 4398 42.475 51.073 -1.997 1.00 0.00 WT1 H ATOM 14476 OH2 TIP3 4401 43.142 55.814 42.647 1.00 0.00 WT1 O ATOM 14477 H1 TIP3 4401 43.980 56.245 42.815 1.00 0.00 WT1 H ATOM 14478 H2 TIP3 4401 42.862 56.153 41.797 1.00 0.00 WT1 H ATOM 14479 OH2 TIP3 4402 36.160 6.047 55.089 1.00 0.00 WT1 O ATOM 14480 H1 TIP3 4402 36.366 5.669 55.944 1.00 0.00 WT1 H ATOM 14481 H2 TIP3 4402 36.986 6.428 54.790 1.00 0.00 WT1 H ATOM 14482 OH2 TIP3 4403 63.084 19.694 52.309 1.00 0.00 WT1 O ATOM 14483 H1 TIP3 4403 62.356 19.331 52.814 1.00 0.00 WT1 H ATOM 14484 H2 TIP3 4403 62.679 20.018 51.505 1.00 0.00 WT1 H ATOM 14485 OH2 TIP3 4404 62.201 76.091 16.863 1.00 0.00 WT1 O ATOM 14486 H1 TIP3 4404 62.876 75.416 16.924 1.00 0.00 WT1 H ATOM 14487 H2 TIP3 4404 61.475 75.752 17.387 1.00 0.00 WT1 H ATOM 14488 OH2 TIP3 4405 24.612 94.050 -16.072 1.00 0.00 WT1 O ATOM 14489 H1 TIP3 4405 25.484 93.736 -15.832 1.00 0.00 WT1 H ATOM 14490 H2 TIP3 4405 24.124 93.257 -16.293 1.00 0.00 WT1 H ATOM 14491 OH2 TIP3 4407 44.053 94.941 -6.509 1.00 0.00 WT1 O ATOM 14492 H1 TIP3 4407 44.808 94.369 -6.375 1.00 0.00 WT1 H ATOM 14493 H2 TIP3 4407 43.443 94.700 -5.812 1.00 0.00 WT1 H ATOM 14494 OH2 TIP3 4409 49.903 14.299 13.254 1.00 0.00 WT1 O ATOM 14495 H1 TIP3 4409 50.813 14.281 13.550 1.00 0.00 WT1 H ATOM 14496 H2 TIP3 4409 49.393 14.423 14.055 1.00 0.00 WT1 H ATOM 14497 OH2 TIP3 4411 54.560 72.780 63.450 1.00 0.00 WT1 O ATOM 14498 H1 TIP3 4411 54.685 73.391 64.176 1.00 0.00 WT1 H ATOM 14499 H2 TIP3 4411 54.199 71.993 63.859 1.00 0.00 WT1 H ATOM 14500 OH2 TIP3 4412 25.707 27.875 22.886 1.00 0.00 WT1 O ATOM 14501 H1 TIP3 4412 26.103 28.423 22.209 1.00 0.00 WT1 H ATOM 14502 H2 TIP3 4412 25.451 27.074 22.428 1.00 0.00 WT1 H ATOM 14503 OH2 TIP3 4414 81.613 93.519 9.108 1.00 0.00 WT1 O ATOM 14504 H1 TIP3 4414 82.431 93.837 8.724 1.00 0.00 WT1 H ATOM 14505 H2 TIP3 4414 81.583 92.592 8.873 1.00 0.00 WT1 H ATOM 14506 OH2 TIP3 4415 20.636 95.949 20.817 1.00 0.00 WT1 O ATOM 14507 H1 TIP3 4415 20.497 96.620 21.485 1.00 0.00 WT1 H ATOM 14508 H2 TIP3 4415 20.179 96.281 20.044 1.00 0.00 WT1 H ATOM 14509 OH2 TIP3 4416 42.893 74.919 -0.027 1.00 0.00 WT1 O ATOM 14510 H1 TIP3 4416 42.285 74.667 0.668 1.00 0.00 WT1 H ATOM 14511 H2 TIP3 4416 43.429 75.609 0.362 1.00 0.00 WT1 H ATOM 14512 OH2 TIP3 4417 35.077 82.500 27.943 1.00 0.00 WT1 O ATOM 14513 H1 TIP3 4417 34.605 81.850 28.462 1.00 0.00 WT1 H ATOM 14514 H2 TIP3 4417 35.775 82.808 28.521 1.00 0.00 WT1 H ATOM 14515 OH2 TIP3 4419 50.963 26.547 56.540 1.00 0.00 WT1 O ATOM 14516 H1 TIP3 4419 50.405 27.047 55.945 1.00 0.00 WT1 H ATOM 14517 H2 TIP3 4419 51.657 26.198 55.981 1.00 0.00 WT1 H ATOM 14518 OH2 TIP3 4421 87.318 32.988 -10.427 1.00 0.00 WT1 O ATOM 14519 H1 TIP3 4421 87.605 32.473 -9.673 1.00 0.00 WT1 H ATOM 14520 H2 TIP3 4421 87.734 32.566 -11.178 1.00 0.00 WT1 H ATOM 14521 OH2 TIP3 4422 86.708 10.800 -0.848 1.00 0.00 WT1 O ATOM 14522 H1 TIP3 4422 87.519 10.295 -0.903 1.00 0.00 WT1 H ATOM 14523 H2 TIP3 4422 86.994 11.713 -0.826 1.00 0.00 WT1 H ATOM 14524 OH2 TIP3 4425 41.389 85.751 6.899 1.00 0.00 WT1 O ATOM 14525 H1 TIP3 4425 40.811 86.497 7.059 1.00 0.00 WT1 H ATOM 14526 H2 TIP3 4425 41.035 85.338 6.112 1.00 0.00 WT1 H ATOM 14527 OH2 TIP3 4427 29.831 88.856 -16.383 1.00 0.00 WT1 O ATOM 14528 H1 TIP3 4427 29.646 88.725 -17.313 1.00 0.00 WT1 H ATOM 14529 H2 TIP3 4427 29.051 89.294 -16.042 1.00 0.00 WT1 H ATOM 14530 OH2 TIP3 4428 23.373 84.344 30.072 1.00 0.00 WT1 O ATOM 14531 H1 TIP3 4428 24.309 84.332 29.871 1.00 0.00 WT1 H ATOM 14532 H2 TIP3 4428 23.329 84.594 30.995 1.00 0.00 WT1 H ATOM 14533 OH2 TIP3 4429 27.856 90.654 7.090 1.00 0.00 WT1 O ATOM 14534 H1 TIP3 4429 28.109 90.438 7.988 1.00 0.00 WT1 H ATOM 14535 H2 TIP3 4429 26.909 90.787 7.134 1.00 0.00 WT1 H ATOM 14536 OH2 TIP3 4432 33.623 25.949 34.164 1.00 0.00 WT1 O ATOM 14537 H1 TIP3 4432 33.004 25.426 33.655 1.00 0.00 WT1 H ATOM 14538 H2 TIP3 4432 34.259 26.263 33.520 1.00 0.00 WT1 H ATOM 14539 OH2 TIP3 4433 24.415 0.723 65.727 1.00 0.00 WT1 O ATOM 14540 H1 TIP3 4433 24.836 1.418 65.221 1.00 0.00 WT1 H ATOM 14541 H2 TIP3 4433 24.422 1.043 66.628 1.00 0.00 WT1 H ATOM 14542 OH2 TIP3 4434 27.637 34.787 -15.117 1.00 0.00 WT1 O ATOM 14543 H1 TIP3 4434 28.556 34.939 -15.336 1.00 0.00 WT1 H ATOM 14544 H2 TIP3 4434 27.656 34.454 -14.220 1.00 0.00 WT1 H ATOM 14545 OH2 TIP3 4435 85.593 72.089 55.626 1.00 0.00 WT1 O ATOM 14546 H1 TIP3 4435 86.264 71.717 56.199 1.00 0.00 WT1 H ATOM 14547 H2 TIP3 4435 86.082 72.617 54.996 1.00 0.00 WT1 H ATOM 14548 OH2 TIP3 4436 68.887 17.788 44.037 1.00 0.00 WT1 O ATOM 14549 H1 TIP3 4436 69.617 17.193 43.869 1.00 0.00 WT1 H ATOM 14550 H2 TIP3 4436 68.126 17.348 43.657 1.00 0.00 WT1 H ATOM 14551 OH2 TIP3 4437 81.854 13.771 63.228 1.00 0.00 WT1 O ATOM 14552 H1 TIP3 4437 81.984 12.830 63.346 1.00 0.00 WT1 H ATOM 14553 H2 TIP3 4437 81.417 14.055 64.031 1.00 0.00 WT1 H ATOM 14554 OH2 TIP3 4438 56.452 86.556 42.134 1.00 0.00 WT1 O ATOM 14555 H1 TIP3 4438 56.198 86.845 43.011 1.00 0.00 WT1 H ATOM 14556 H2 TIP3 4438 56.638 85.623 42.234 1.00 0.00 WT1 H ATOM 14557 OH2 TIP3 4441 42.700 36.447 14.553 1.00 0.00 WT1 O ATOM 14558 H1 TIP3 4441 43.171 35.882 13.941 1.00 0.00 WT1 H ATOM 14559 H2 TIP3 4441 43.059 36.224 15.412 1.00 0.00 WT1 H ATOM 14560 OH2 TIP3 4442 41.914 76.108 4.654 1.00 0.00 WT1 O ATOM 14561 H1 TIP3 4442 42.131 75.228 4.961 1.00 0.00 WT1 H ATOM 14562 H2 TIP3 4442 42.637 76.655 4.962 1.00 0.00 WT1 H ATOM 14563 OH2 TIP3 4443 88.801 31.789 39.489 1.00 0.00 WT1 O ATOM 14564 H1 TIP3 4443 88.511 31.436 38.648 1.00 0.00 WT1 H ATOM 14565 H2 TIP3 4443 89.404 31.130 39.831 1.00 0.00 WT1 H ATOM 14566 OH2 TIP3 4444 57.603 68.720 5.562 1.00 0.00 WT1 O ATOM 14567 H1 TIP3 4444 57.485 69.593 5.936 1.00 0.00 WT1 H ATOM 14568 H2 TIP3 4444 56.975 68.171 6.033 1.00 0.00 WT1 H ATOM 14569 OH2 TIP3 4446 27.538 12.876 37.835 1.00 0.00 WT1 O ATOM 14570 H1 TIP3 4446 26.670 13.278 37.874 1.00 0.00 WT1 H ATOM 14571 H2 TIP3 4446 27.752 12.857 36.902 1.00 0.00 WT1 H ATOM 14572 OH2 TIP3 4449 64.473 2.794 37.236 1.00 0.00 WT1 O ATOM 14573 H1 TIP3 4449 64.551 3.562 36.669 1.00 0.00 WT1 H ATOM 14574 H2 TIP3 4449 63.764 2.280 36.848 1.00 0.00 WT1 H ATOM 14575 OH2 TIP3 4450 54.000 62.151 14.492 1.00 0.00 WT1 O ATOM 14576 H1 TIP3 4450 53.707 61.325 14.876 1.00 0.00 WT1 H ATOM 14577 H2 TIP3 4450 54.937 62.026 14.339 1.00 0.00 WT1 H ATOM 14578 OH2 TIP3 4451 81.308 12.447 41.282 1.00 0.00 WT1 O ATOM 14579 H1 TIP3 4451 82.088 12.796 41.715 1.00 0.00 WT1 H ATOM 14580 H2 TIP3 4451 81.650 11.901 40.575 1.00 0.00 WT1 H ATOM 14581 OH2 TIP3 4452 55.943 70.497 54.637 1.00 0.00 WT1 O ATOM 14582 H1 TIP3 4452 55.674 69.813 55.251 1.00 0.00 WT1 H ATOM 14583 H2 TIP3 4452 56.424 70.031 53.954 1.00 0.00 WT1 H ATOM 14584 OH2 TIP3 4453 74.930 23.046 5.665 1.00 0.00 WT1 O ATOM 14585 H1 TIP3 4453 74.394 22.619 4.996 1.00 0.00 WT1 H ATOM 14586 H2 TIP3 4453 74.698 22.598 6.479 1.00 0.00 WT1 H ATOM 14587 OH2 TIP3 4454 72.768 45.472 -18.727 1.00 0.00 WT1 O ATOM 14588 H1 TIP3 4454 72.800 45.780 -19.633 1.00 0.00 WT1 H ATOM 14589 H2 TIP3 4454 73.219 46.151 -18.226 1.00 0.00 WT1 H ATOM 14590 OH2 TIP3 4455 27.075 70.629 66.516 1.00 0.00 WT1 O ATOM 14591 H1 TIP3 4455 26.830 70.230 65.681 1.00 0.00 WT1 H ATOM 14592 H2 TIP3 4455 26.980 69.925 67.157 1.00 0.00 WT1 H ATOM 14593 OH2 TIP3 4456 59.140 80.138 -10.130 1.00 0.00 WT1 O ATOM 14594 H1 TIP3 4456 59.333 80.590 -9.308 1.00 0.00 WT1 H ATOM 14595 H2 TIP3 4456 58.734 79.314 -9.861 1.00 0.00 WT1 H ATOM 14596 OH2 TIP3 4457 44.137 1.565 24.573 1.00 0.00 WT1 O ATOM 14597 H1 TIP3 4457 43.318 1.108 24.383 1.00 0.00 WT1 H ATOM 14598 H2 TIP3 4457 43.867 2.365 25.023 1.00 0.00 WT1 H ATOM 14599 OH2 TIP3 4459 82.537 61.341 32.628 1.00 0.00 WT1 O ATOM 14600 H1 TIP3 4459 82.423 61.607 31.716 1.00 0.00 WT1 H ATOM 14601 H2 TIP3 4459 82.169 62.063 33.137 1.00 0.00 WT1 H ATOM 14602 OH2 TIP3 4460 46.863 24.442 5.163 1.00 0.00 WT1 O ATOM 14603 H1 TIP3 4460 46.309 24.281 5.927 1.00 0.00 WT1 H ATOM 14604 H2 TIP3 4460 47.302 23.606 5.005 1.00 0.00 WT1 H ATOM 14605 OH2 TIP3 4461 36.772 73.634 -0.230 1.00 0.00 WT1 O ATOM 14606 H1 TIP3 4461 37.575 74.150 -0.154 1.00 0.00 WT1 H ATOM 14607 H2 TIP3 4461 36.618 73.298 0.653 1.00 0.00 WT1 H ATOM 14608 OH2 TIP3 4462 39.112 84.059 23.650 1.00 0.00 WT1 O ATOM 14609 H1 TIP3 4462 39.798 84.564 23.213 1.00 0.00 WT1 H ATOM 14610 H2 TIP3 4462 39.545 83.249 23.920 1.00 0.00 WT1 H ATOM 14611 OH2 TIP3 4463 32.623 4.184 0.111 1.00 0.00 WT1 O ATOM 14612 H1 TIP3 4463 33.508 4.162 0.475 1.00 0.00 WT1 H ATOM 14613 H2 TIP3 4463 32.184 4.888 0.588 1.00 0.00 WT1 H ATOM 14614 OH2 TIP3 4464 39.881 27.582 39.225 1.00 0.00 WT1 O ATOM 14615 H1 TIP3 4464 39.326 28.306 38.934 1.00 0.00 WT1 H ATOM 14616 H2 TIP3 4464 40.127 27.129 38.419 1.00 0.00 WT1 H ATOM 14617 OH2 TIP3 4465 60.242 18.412 56.100 1.00 0.00 WT1 O ATOM 14618 H1 TIP3 4465 59.766 19.238 56.185 1.00 0.00 WT1 H ATOM 14619 H2 TIP3 4465 60.412 18.139 57.001 1.00 0.00 WT1 H ATOM 14620 OH2 TIP3 4466 20.794 27.236 17.062 1.00 0.00 WT1 O ATOM 14621 H1 TIP3 4466 19.970 27.567 16.706 1.00 0.00 WT1 H ATOM 14622 H2 TIP3 4466 20.921 26.392 16.627 1.00 0.00 WT1 H ATOM 14623 OH2 TIP3 4467 63.392 79.625 30.098 1.00 0.00 WT1 O ATOM 14624 H1 TIP3 4467 62.814 79.353 30.811 1.00 0.00 WT1 H ATOM 14625 H2 TIP3 4467 64.226 79.195 30.289 1.00 0.00 WT1 H ATOM 14626 OH2 TIP3 4468 50.316 11.795 -15.232 1.00 0.00 WT1 O ATOM 14627 H1 TIP3 4468 49.526 12.334 -15.201 1.00 0.00 WT1 H ATOM 14628 H2 TIP3 4468 50.328 11.437 -16.119 1.00 0.00 WT1 H ATOM 14629 OH2 TIP3 4469 45.271 41.876 -17.051 1.00 0.00 WT1 O ATOM 14630 H1 TIP3 4469 46.056 41.451 -16.705 1.00 0.00 WT1 H ATOM 14631 H2 TIP3 4469 44.555 41.525 -16.522 1.00 0.00 WT1 H ATOM 14632 OH2 TIP3 4470 41.873 25.265 -6.858 1.00 0.00 WT1 O ATOM 14633 H1 TIP3 4470 41.230 25.929 -6.610 1.00 0.00 WT1 H ATOM 14634 H2 TIP3 4470 42.711 25.728 -6.852 1.00 0.00 WT1 H ATOM 14635 OH2 TIP3 4472 49.258 92.212 36.422 1.00 0.00 WT1 O ATOM 14636 H1 TIP3 4472 48.902 92.174 35.534 1.00 0.00 WT1 H ATOM 14637 H2 TIP3 4472 49.212 93.137 36.660 1.00 0.00 WT1 H ATOM 14638 OH2 TIP3 4473 61.605 4.209 10.456 1.00 0.00 WT1 O ATOM 14639 H1 TIP3 4473 61.583 4.380 11.397 1.00 0.00 WT1 H ATOM 14640 H2 TIP3 4473 60.777 3.763 10.275 1.00 0.00 WT1 H ATOM 14641 OH2 TIP3 4474 75.080 95.477 11.885 1.00 0.00 WT1 O ATOM 14642 H1 TIP3 4474 74.730 95.577 11.000 1.00 0.00 WT1 H ATOM 14643 H2 TIP3 4474 76.013 95.305 11.756 1.00 0.00 WT1 H ATOM 14644 OH2 TIP3 4475 36.426 80.820 25.298 1.00 0.00 WT1 O ATOM 14645 H1 TIP3 4475 36.486 81.733 25.581 1.00 0.00 WT1 H ATOM 14646 H2 TIP3 4475 35.488 80.632 25.292 1.00 0.00 WT1 H ATOM 14647 OH2 TIP3 4476 43.241 80.293 37.502 1.00 0.00 WT1 O ATOM 14648 H1 TIP3 4476 43.272 81.173 37.126 1.00 0.00 WT1 H ATOM 14649 H2 TIP3 4476 42.539 79.852 37.023 1.00 0.00 WT1 H ATOM 14650 OH2 TIP3 4477 54.045 81.956 -13.872 1.00 0.00 WT1 O ATOM 14651 H1 TIP3 4477 53.890 82.794 -13.437 1.00 0.00 WT1 H ATOM 14652 H2 TIP3 4477 53.238 81.461 -13.733 1.00 0.00 WT1 H ATOM 14653 OH2 TIP3 4478 68.937 19.623 1.186 1.00 0.00 WT1 O ATOM 14654 H1 TIP3 4478 68.977 20.501 1.563 1.00 0.00 WT1 H ATOM 14655 H2 TIP3 4478 68.887 19.039 1.943 1.00 0.00 WT1 H ATOM 14656 OH2 TIP3 4479 50.414 22.096 58.304 1.00 0.00 WT1 O ATOM 14657 H1 TIP3 4479 49.600 21.750 58.670 1.00 0.00 WT1 H ATOM 14658 H2 TIP3 4479 50.772 22.651 58.997 1.00 0.00 WT1 H ATOM 14659 OH2 TIP3 4480 79.783 9.721 -6.840 1.00 0.00 WT1 O ATOM 14660 H1 TIP3 4480 79.198 9.765 -6.084 1.00 0.00 WT1 H ATOM 14661 H2 TIP3 4480 80.574 10.181 -6.559 1.00 0.00 WT1 H ATOM 14662 OH2 TIP3 4481 41.919 82.671 63.372 1.00 0.00 WT1 O ATOM 14663 H1 TIP3 4481 41.538 82.658 62.494 1.00 0.00 WT1 H ATOM 14664 H2 TIP3 4481 41.663 83.520 63.732 1.00 0.00 WT1 H ATOM 14665 OH2 TIP3 4482 78.149 90.454 29.125 1.00 0.00 WT1 O ATOM 14666 H1 TIP3 4482 78.527 91.193 28.648 1.00 0.00 WT1 H ATOM 14667 H2 TIP3 4482 77.330 90.794 29.486 1.00 0.00 WT1 H ATOM 14668 OH2 TIP3 4483 39.773 33.773 2.226 1.00 0.00 WT1 O ATOM 14669 H1 TIP3 4483 40.723 33.665 2.260 1.00 0.00 WT1 H ATOM 14670 H2 TIP3 4483 39.623 34.336 1.467 1.00 0.00 WT1 H ATOM 14671 OH2 TIP3 4485 68.543 41.904 61.285 1.00 0.00 WT1 O ATOM 14672 H1 TIP3 4485 67.965 42.185 60.576 1.00 0.00 WT1 H ATOM 14673 H2 TIP3 4485 69.381 42.326 61.094 1.00 0.00 WT1 H ATOM 14674 OH2 TIP3 4487 32.550 16.872 13.418 1.00 0.00 WT1 O ATOM 14675 H1 TIP3 4487 32.265 16.797 14.328 1.00 0.00 WT1 H ATOM 14676 H2 TIP3 4487 33.496 17.008 13.473 1.00 0.00 WT1 H ATOM 14677 OH2 TIP3 4489 23.257 93.467 44.971 1.00 0.00 WT1 O ATOM 14678 H1 TIP3 4489 23.459 92.707 44.427 1.00 0.00 WT1 H ATOM 14679 H2 TIP3 4489 23.990 94.066 44.829 1.00 0.00 WT1 H ATOM 14680 OH2 TIP3 4491 83.785 24.377 34.505 1.00 0.00 WT1 O ATOM 14681 H1 TIP3 4491 82.956 24.772 34.233 1.00 0.00 WT1 H ATOM 14682 H2 TIP3 4491 83.721 23.466 34.218 1.00 0.00 WT1 H ATOM 14683 OH2 TIP3 4492 56.818 24.105 38.365 1.00 0.00 WT1 O ATOM 14684 H1 TIP3 4492 56.637 24.783 37.714 1.00 0.00 WT1 H ATOM 14685 H2 TIP3 4492 57.772 24.094 38.441 1.00 0.00 WT1 H ATOM 14686 OH2 TIP3 4493 37.602 24.096 -8.391 1.00 0.00 WT1 O ATOM 14687 H1 TIP3 4493 37.667 24.079 -7.436 1.00 0.00 WT1 H ATOM 14688 H2 TIP3 4493 38.509 24.053 -8.694 1.00 0.00 WT1 H ATOM 14689 OH2 TIP3 4495 82.284 29.032 60.471 1.00 0.00 WT1 O ATOM 14690 H1 TIP3 4495 81.765 28.854 59.686 1.00 0.00 WT1 H ATOM 14691 H2 TIP3 4495 82.229 29.981 60.584 1.00 0.00 WT1 H ATOM 14692 OH2 TIP3 4496 35.689 92.289 31.500 1.00 0.00 WT1 O ATOM 14693 H1 TIP3 4496 36.500 92.257 30.992 1.00 0.00 WT1 H ATOM 14694 H2 TIP3 4496 35.978 92.352 32.410 1.00 0.00 WT1 H ATOM 14695 OH2 TIP3 4497 55.583 34.082 -3.127 1.00 0.00 WT1 O ATOM 14696 H1 TIP3 4497 55.667 35.026 -2.995 1.00 0.00 WT1 H ATOM 14697 H2 TIP3 4497 55.482 33.724 -2.245 1.00 0.00 WT1 H ATOM 14698 OH2 TIP3 4499 31.459 35.153 30.708 1.00 0.00 WT1 O ATOM 14699 H1 TIP3 4499 30.758 34.569 30.417 1.00 0.00 WT1 H ATOM 14700 H2 TIP3 4499 31.786 35.555 29.903 1.00 0.00 WT1 H ATOM 14701 OH2 TIP3 4500 36.121 86.241 41.264 1.00 0.00 WT1 O ATOM 14702 H1 TIP3 4500 36.436 86.290 40.361 1.00 0.00 WT1 H ATOM 14703 H2 TIP3 4500 36.907 86.349 41.798 1.00 0.00 WT1 H ATOM 14704 OH2 TIP3 4501 28.408 32.995 46.122 1.00 0.00 WT1 O ATOM 14705 H1 TIP3 4501 28.856 33.713 46.570 1.00 0.00 WT1 H ATOM 14706 H2 TIP3 4501 28.320 32.314 46.789 1.00 0.00 WT1 H ATOM 14707 OH2 TIP3 4502 37.053 52.660 -12.775 1.00 0.00 WT1 O ATOM 14708 H1 TIP3 4502 37.381 53.012 -13.603 1.00 0.00 WT1 H ATOM 14709 H2 TIP3 4502 37.217 51.719 -12.832 1.00 0.00 WT1 H ATOM 14710 OH2 TIP3 4504 78.288 87.838 52.028 1.00 0.00 WT1 O ATOM 14711 H1 TIP3 4504 78.750 87.874 51.190 1.00 0.00 WT1 H ATOM 14712 H2 TIP3 4504 77.597 88.495 51.949 1.00 0.00 WT1 H ATOM 14713 OH2 TIP3 4505 74.421 58.290 17.675 1.00 0.00 WT1 O ATOM 14714 H1 TIP3 4505 74.614 59.112 18.126 1.00 0.00 WT1 H ATOM 14715 H2 TIP3 4505 74.009 57.742 18.342 1.00 0.00 WT1 H ATOM 14716 OH2 TIP3 4506 47.945 10.788 28.183 1.00 0.00 WT1 O ATOM 14717 H1 TIP3 4506 47.766 11.708 27.988 1.00 0.00 WT1 H ATOM 14718 H2 TIP3 4506 48.434 10.473 27.423 1.00 0.00 WT1 H ATOM 14719 OH2 TIP3 4507 36.693 73.549 -5.048 1.00 0.00 WT1 O ATOM 14720 H1 TIP3 4507 36.456 74.429 -5.342 1.00 0.00 WT1 H ATOM 14721 H2 TIP3 4507 36.824 73.638 -4.104 1.00 0.00 WT1 H ATOM 14722 OH2 TIP3 4508 52.079 53.070 -15.362 1.00 0.00 WT1 O ATOM 14723 H1 TIP3 4508 52.781 53.718 -15.304 1.00 0.00 WT1 H ATOM 14724 H2 TIP3 4508 52.478 52.322 -15.805 1.00 0.00 WT1 H ATOM 14725 OH2 TIP3 4509 28.358 5.951 5.225 1.00 0.00 WT1 O ATOM 14726 H1 TIP3 4509 28.116 5.663 6.105 1.00 0.00 WT1 H ATOM 14727 H2 TIP3 4509 27.904 5.344 4.641 1.00 0.00 WT1 H ATOM 14728 OH2 TIP3 4510 52.467 38.631 40.144 1.00 0.00 WT1 O ATOM 14729 H1 TIP3 4510 51.577 38.375 40.388 1.00 0.00 WT1 H ATOM 14730 H2 TIP3 4510 52.365 39.087 39.309 1.00 0.00 WT1 H ATOM 14731 OH2 TIP3 4511 55.570 7.576 43.023 1.00 0.00 WT1 O ATOM 14732 H1 TIP3 4511 55.933 7.574 43.908 1.00 0.00 WT1 H ATOM 14733 H2 TIP3 4511 54.777 8.109 43.090 1.00 0.00 WT1 H ATOM 14734 OH2 TIP3 4513 73.501 23.155 -10.122 1.00 0.00 WT1 O ATOM 14735 H1 TIP3 4513 72.940 22.463 -9.773 1.00 0.00 WT1 H ATOM 14736 H2 TIP3 4513 73.636 22.916 -11.039 1.00 0.00 WT1 H ATOM 14737 OH2 TIP3 4514 42.998 86.680 34.933 1.00 0.00 WT1 O ATOM 14738 H1 TIP3 4514 43.237 86.119 35.671 1.00 0.00 WT1 H ATOM 14739 H2 TIP3 4514 42.256 87.193 35.251 1.00 0.00 WT1 H ATOM 14740 OH2 TIP3 4515 61.841 3.147 20.471 1.00 0.00 WT1 O ATOM 14741 H1 TIP3 4515 61.936 3.863 19.843 1.00 0.00 WT1 H ATOM 14742 H2 TIP3 4515 60.895 3.047 20.580 1.00 0.00 WT1 H ATOM 14743 OH2 TIP3 4516 68.010 71.289 19.424 1.00 0.00 WT1 O ATOM 14744 H1 TIP3 4516 67.417 70.602 19.120 1.00 0.00 WT1 H ATOM 14745 H2 TIP3 4516 67.540 71.712 20.142 1.00 0.00 WT1 H ATOM 14746 OH2 TIP3 4517 52.692 87.891 64.816 1.00 0.00 WT1 O ATOM 14747 H1 TIP3 4517 53.600 88.048 65.076 1.00 0.00 WT1 H ATOM 14748 H2 TIP3 4517 52.720 87.064 64.335 1.00 0.00 WT1 H ATOM 14749 OH2 TIP3 4518 35.444 20.603 -2.480 1.00 0.00 WT1 O ATOM 14750 H1 TIP3 4518 35.316 20.077 -3.269 1.00 0.00 WT1 H ATOM 14751 H2 TIP3 4518 34.700 21.204 -2.468 1.00 0.00 WT1 H ATOM 14752 OH2 TIP3 4519 78.187 30.651 8.837 1.00 0.00 WT1 O ATOM 14753 H1 TIP3 4519 78.199 29.702 8.713 1.00 0.00 WT1 H ATOM 14754 H2 TIP3 4519 77.670 30.783 9.631 1.00 0.00 WT1 H ATOM 14755 OH2 TIP3 4520 29.376 88.911 -11.325 1.00 0.00 WT1 O ATOM 14756 H1 TIP3 4520 29.671 89.502 -10.632 1.00 0.00 WT1 H ATOM 14757 H2 TIP3 4520 29.816 88.082 -11.136 1.00 0.00 WT1 H ATOM 14758 OH2 TIP3 4521 31.553 35.865 -2.093 1.00 0.00 WT1 O ATOM 14759 H1 TIP3 4521 31.269 36.544 -1.481 1.00 0.00 WT1 H ATOM 14760 H2 TIP3 4521 32.506 35.847 -2.006 1.00 0.00 WT1 H ATOM 14761 OH2 TIP3 4522 66.311 48.995 11.755 1.00 0.00 WT1 O ATOM 14762 H1 TIP3 4522 65.827 48.171 11.810 1.00 0.00 WT1 H ATOM 14763 H2 TIP3 4522 66.147 49.425 12.594 1.00 0.00 WT1 H ATOM 14764 OH2 TIP3 4523 30.037 75.398 8.790 1.00 0.00 WT1 O ATOM 14765 H1 TIP3 4523 30.185 74.543 9.196 1.00 0.00 WT1 H ATOM 14766 H2 TIP3 4523 30.424 75.319 7.918 1.00 0.00 WT1 H ATOM 14767 OH2 TIP3 4524 83.059 31.275 43.688 1.00 0.00 WT1 O ATOM 14768 H1 TIP3 4524 83.349 31.026 44.566 1.00 0.00 WT1 H ATOM 14769 H2 TIP3 4524 83.227 32.216 43.637 1.00 0.00 WT1 H ATOM 14770 OH2 TIP3 4525 84.027 39.645 31.564 1.00 0.00 WT1 O ATOM 14771 H1 TIP3 4525 83.427 40.271 31.160 1.00 0.00 WT1 H ATOM 14772 H2 TIP3 4525 83.577 39.359 32.358 1.00 0.00 WT1 H ATOM 14773 OH2 TIP3 4526 89.831 26.411 48.826 1.00 0.00 WT1 O ATOM 14774 H1 TIP3 4526 89.941 27.295 48.476 1.00 0.00 WT1 H ATOM 14775 H2 TIP3 4526 90.647 25.962 48.605 1.00 0.00 WT1 H ATOM 14776 OH2 TIP3 4527 77.650 76.740 61.314 1.00 0.00 WT1 O ATOM 14777 H1 TIP3 4527 77.182 75.905 61.295 1.00 0.00 WT1 H ATOM 14778 H2 TIP3 4527 78.487 76.556 60.886 1.00 0.00 WT1 H ATOM 14779 OH2 TIP3 4528 63.011 15.738 40.592 1.00 0.00 WT1 O ATOM 14780 H1 TIP3 4528 63.586 14.993 40.416 1.00 0.00 WT1 H ATOM 14781 H2 TIP3 4528 63.434 16.477 40.155 1.00 0.00 WT1 H ATOM 14782 OH2 TIP3 4529 64.644 1.980 -11.765 1.00 0.00 WT1 O ATOM 14783 H1 TIP3 4529 65.112 2.594 -11.199 1.00 0.00 WT1 H ATOM 14784 H2 TIP3 4529 63.751 1.968 -11.419 1.00 0.00 WT1 H ATOM 14785 OH2 TIP3 4530 51.442 4.810 -2.256 1.00 0.00 WT1 O ATOM 14786 H1 TIP3 4530 50.938 4.155 -1.773 1.00 0.00 WT1 H ATOM 14787 H2 TIP3 4530 51.294 4.595 -3.177 1.00 0.00 WT1 H ATOM 14788 OH2 TIP3 4531 80.685 38.897 62.640 1.00 0.00 WT1 O ATOM 14789 H1 TIP3 4531 80.593 39.258 61.758 1.00 0.00 WT1 H ATOM 14790 H2 TIP3 4531 79.794 38.886 62.989 1.00 0.00 WT1 H ATOM 14791 OH2 TIP3 4532 54.385 76.359 31.403 1.00 0.00 WT1 O ATOM 14792 H1 TIP3 4532 54.432 75.553 31.918 1.00 0.00 WT1 H ATOM 14793 H2 TIP3 4532 53.918 76.106 30.606 1.00 0.00 WT1 H ATOM 14794 OH2 TIP3 4533 54.599 7.734 26.444 1.00 0.00 WT1 O ATOM 14795 H1 TIP3 4533 54.128 6.902 26.498 1.00 0.00 WT1 H ATOM 14796 H2 TIP3 4533 55.504 7.512 26.662 1.00 0.00 WT1 H ATOM 14797 OH2 TIP3 4534 40.372 15.728 18.684 1.00 0.00 WT1 O ATOM 14798 H1 TIP3 4534 41.203 15.752 18.209 1.00 0.00 WT1 H ATOM 14799 H2 TIP3 4534 40.308 16.587 19.100 1.00 0.00 WT1 H ATOM 14800 OH2 TIP3 4535 69.275 36.204 3.341 1.00 0.00 WT1 O ATOM 14801 H1 TIP3 4535 70.055 36.757 3.297 1.00 0.00 WT1 H ATOM 14802 H2 TIP3 4535 68.565 36.807 3.560 1.00 0.00 WT1 H ATOM 14803 OH2 TIP3 4536 52.027 0.944 0.347 1.00 0.00 WT1 O ATOM 14804 H1 TIP3 4536 52.155 1.849 0.631 1.00 0.00 WT1 H ATOM 14805 H2 TIP3 4536 52.580 0.427 0.933 1.00 0.00 WT1 H ATOM 14806 OH2 TIP3 4537 37.968 83.817 6.970 1.00 0.00 WT1 O ATOM 14807 H1 TIP3 4537 37.424 84.032 7.728 1.00 0.00 WT1 H ATOM 14808 H2 TIP3 4537 38.563 83.138 7.286 1.00 0.00 WT1 H ATOM 14809 OH2 TIP3 4538 67.447 35.374 19.448 1.00 0.00 WT1 O ATOM 14810 H1 TIP3 4538 68.011 35.721 18.757 1.00 0.00 WT1 H ATOM 14811 H2 TIP3 4538 66.557 35.544 19.140 1.00 0.00 WT1 H ATOM 14812 OH2 TIP3 4539 59.943 6.464 5.738 1.00 0.00 WT1 O ATOM 14813 H1 TIP3 4539 59.916 7.382 6.008 1.00 0.00 WT1 H ATOM 14814 H2 TIP3 4539 60.188 6.493 4.813 1.00 0.00 WT1 H ATOM 14815 OH2 TIP3 4540 38.288 54.221 57.481 1.00 0.00 WT1 O ATOM 14816 H1 TIP3 4540 37.392 54.532 57.349 1.00 0.00 WT1 H ATOM 14817 H2 TIP3 4540 38.330 53.397 56.997 1.00 0.00 WT1 H ATOM 14818 OH2 TIP3 4541 84.905 92.804 22.717 1.00 0.00 WT1 O ATOM 14819 H1 TIP3 4541 85.232 92.317 21.961 1.00 0.00 WT1 H ATOM 14820 H2 TIP3 4541 84.304 93.450 22.344 1.00 0.00 WT1 H ATOM 14821 OH2 TIP3 4542 35.411 87.127 8.494 1.00 0.00 WT1 O ATOM 14822 H1 TIP3 4542 34.778 87.741 8.867 1.00 0.00 WT1 H ATOM 14823 H2 TIP3 4542 35.092 86.964 7.607 1.00 0.00 WT1 H ATOM 14824 OH2 TIP3 4544 38.036 20.032 53.025 1.00 0.00 WT1 O ATOM 14825 H1 TIP3 4544 38.258 20.679 53.695 1.00 0.00 WT1 H ATOM 14826 H2 TIP3 4544 37.470 20.503 52.414 1.00 0.00 WT1 H ATOM 14827 OH2 TIP3 4545 75.148 29.501 -6.123 1.00 0.00 WT1 O ATOM 14828 H1 TIP3 4545 74.299 29.945 -6.126 1.00 0.00 WT1 H ATOM 14829 H2 TIP3 4545 75.386 29.446 -5.198 1.00 0.00 WT1 H ATOM 14830 OH2 TIP3 4546 78.629 28.717 1.683 1.00 0.00 WT1 O ATOM 14831 H1 TIP3 4546 77.753 28.995 1.414 1.00 0.00 WT1 H ATOM 14832 H2 TIP3 4546 78.476 27.999 2.297 1.00 0.00 WT1 H ATOM 14833 OH2 TIP3 4547 38.739 59.736 50.759 1.00 0.00 WT1 O ATOM 14834 H1 TIP3 4547 39.488 60.329 50.820 1.00 0.00 WT1 H ATOM 14835 H2 TIP3 4547 38.912 59.062 51.417 1.00 0.00 WT1 H ATOM 14836 OH2 TIP3 4548 55.124 89.803 24.878 1.00 0.00 WT1 O ATOM 14837 H1 TIP3 4548 54.688 89.477 24.091 1.00 0.00 WT1 H ATOM 14838 H2 TIP3 4548 54.419 89.906 25.518 1.00 0.00 WT1 H ATOM 14839 OH2 TIP3 4549 33.011 19.175 63.826 1.00 0.00 WT1 O ATOM 14840 H1 TIP3 4549 33.602 19.923 63.737 1.00 0.00 WT1 H ATOM 14841 H2 TIP3 4549 32.568 19.318 64.662 1.00 0.00 WT1 H ATOM 14842 OH2 TIP3 4550 32.538 6.185 43.508 1.00 0.00 WT1 O ATOM 14843 H1 TIP3 4550 33.228 6.835 43.371 1.00 0.00 WT1 H ATOM 14844 H2 TIP3 4550 32.529 5.671 42.700 1.00 0.00 WT1 H ATOM 14845 OH2 TIP3 4552 59.528 13.856 27.268 1.00 0.00 WT1 O ATOM 14846 H1 TIP3 4552 60.461 13.784 27.066 1.00 0.00 WT1 H ATOM 14847 H2 TIP3 4552 59.411 14.765 27.544 1.00 0.00 WT1 H ATOM 14848 OH2 TIP3 4553 84.180 26.213 -17.196 1.00 0.00 WT1 O ATOM 14849 H1 TIP3 4553 83.752 27.028 -16.933 1.00 0.00 WT1 H ATOM 14850 H2 TIP3 4553 83.499 25.723 -17.657 1.00 0.00 WT1 H ATOM 14851 OH2 TIP3 4554 64.807 10.003 12.562 1.00 0.00 WT1 O ATOM 14852 H1 TIP3 4554 64.864 9.048 12.531 1.00 0.00 WT1 H ATOM 14853 H2 TIP3 4554 64.669 10.205 13.488 1.00 0.00 WT1 H ATOM 14854 OH2 TIP3 4555 26.487 6.764 10.378 1.00 0.00 WT1 O ATOM 14855 H1 TIP3 4555 26.381 6.899 11.319 1.00 0.00 WT1 H ATOM 14856 H2 TIP3 4555 26.941 5.925 10.305 1.00 0.00 WT1 H ATOM 14857 OH2 TIP3 4556 41.609 33.848 -16.417 1.00 0.00 WT1 O ATOM 14858 H1 TIP3 4556 42.364 33.906 -15.831 1.00 0.00 WT1 H ATOM 14859 H2 TIP3 4556 41.501 32.910 -16.576 1.00 0.00 WT1 H ATOM 14860 OH2 TIP3 4557 80.915 22.627 9.676 1.00 0.00 WT1 O ATOM 14861 H1 TIP3 4557 81.609 23.285 9.702 1.00 0.00 WT1 H ATOM 14862 H2 TIP3 4557 80.648 22.595 8.757 1.00 0.00 WT1 H ATOM 14863 OH2 TIP3 4558 63.644 29.054 -0.397 1.00 0.00 WT1 O ATOM 14864 H1 TIP3 4558 63.642 28.512 0.392 1.00 0.00 WT1 H ATOM 14865 H2 TIP3 4558 64.305 29.725 -0.226 1.00 0.00 WT1 H ATOM 14866 OH2 TIP3 4559 74.790 90.741 26.846 1.00 0.00 WT1 O ATOM 14867 H1 TIP3 4559 74.281 90.335 27.548 1.00 0.00 WT1 H ATOM 14868 H2 TIP3 4559 74.890 91.653 27.118 1.00 0.00 WT1 H ATOM 14869 OH2 TIP3 4560 56.155 17.337 11.489 1.00 0.00 WT1 O ATOM 14870 H1 TIP3 4560 55.474 16.689 11.310 1.00 0.00 WT1 H ATOM 14871 H2 TIP3 4560 56.826 17.170 10.826 1.00 0.00 WT1 H ATOM 14872 OH2 TIP3 4561 23.035 29.410 -19.954 1.00 0.00 WT1 O ATOM 14873 H1 TIP3 4561 22.146 29.509 -20.294 1.00 0.00 WT1 H ATOM 14874 H2 TIP3 4561 22.954 29.585 -19.016 1.00 0.00 WT1 H ATOM 14875 OH2 TIP3 4562 22.366 95.620 42.644 1.00 0.00 WT1 O ATOM 14876 H1 TIP3 4562 22.061 94.743 42.878 1.00 0.00 WT1 H ATOM 14877 H2 TIP3 4562 22.622 96.016 43.477 1.00 0.00 WT1 H ATOM 14878 OH2 TIP3 4563 68.497 44.150 55.531 1.00 0.00 WT1 O ATOM 14879 H1 TIP3 4563 68.231 44.335 56.432 1.00 0.00 WT1 H ATOM 14880 H2 TIP3 4563 67.697 43.846 55.102 1.00 0.00 WT1 H ATOM 14881 OH2 TIP3 4564 28.632 64.446 -7.351 1.00 0.00 WT1 O ATOM 14882 H1 TIP3 4564 28.055 64.938 -6.766 1.00 0.00 WT1 H ATOM 14883 H2 TIP3 4564 28.913 63.692 -6.832 1.00 0.00 WT1 H ATOM 14884 OH2 TIP3 4565 36.894 45.537 -0.947 1.00 0.00 WT1 O ATOM 14885 H1 TIP3 4565 37.178 46.075 -0.208 1.00 0.00 WT1 H ATOM 14886 H2 TIP3 4565 37.669 45.027 -1.184 1.00 0.00 WT1 H ATOM 14887 OH2 TIP3 4569 22.505 8.303 -1.467 1.00 0.00 WT1 O ATOM 14888 H1 TIP3 4569 23.205 8.522 -0.852 1.00 0.00 WT1 H ATOM 14889 H2 TIP3 4569 22.891 7.644 -2.044 1.00 0.00 WT1 H ATOM 14890 OH2 TIP3 4570 79.045 55.136 63.582 1.00 0.00 WT1 O ATOM 14891 H1 TIP3 4570 78.515 54.910 62.817 1.00 0.00 WT1 H ATOM 14892 H2 TIP3 4570 78.406 55.381 64.252 1.00 0.00 WT1 H ATOM 14893 OH2 TIP3 4571 84.594 3.995 11.573 1.00 0.00 WT1 O ATOM 14894 H1 TIP3 4571 85.207 4.726 11.647 1.00 0.00 WT1 H ATOM 14895 H2 TIP3 4571 84.901 3.358 12.219 1.00 0.00 WT1 H ATOM 14896 OH2 TIP3 4573 57.624 36.717 10.960 1.00 0.00 WT1 O ATOM 14897 H1 TIP3 4573 57.722 37.629 10.684 1.00 0.00 WT1 H ATOM 14898 H2 TIP3 4573 56.717 36.654 11.258 1.00 0.00 WT1 H ATOM 14899 OH2 TIP3 4574 35.665 20.712 -13.676 1.00 0.00 WT1 O ATOM 14900 H1 TIP3 4574 35.042 20.228 -13.134 1.00 0.00 WT1 H ATOM 14901 H2 TIP3 4574 35.487 21.632 -13.484 1.00 0.00 WT1 H ATOM 14902 OH2 TIP3 4575 23.816 56.331 21.179 1.00 0.00 WT1 O ATOM 14903 H1 TIP3 4575 24.537 55.996 21.713 1.00 0.00 WT1 H ATOM 14904 H2 TIP3 4575 23.694 55.670 20.498 1.00 0.00 WT1 H ATOM 14905 OH2 TIP3 4576 42.774 10.802 37.673 1.00 0.00 WT1 O ATOM 14906 H1 TIP3 4576 43.065 11.713 37.647 1.00 0.00 WT1 H ATOM 14907 H2 TIP3 4576 43.504 10.306 37.301 1.00 0.00 WT1 H ATOM 14908 OH2 TIP3 4577 86.995 88.249 13.736 1.00 0.00 WT1 O ATOM 14909 H1 TIP3 4577 86.575 87.655 13.115 1.00 0.00 WT1 H ATOM 14910 H2 TIP3 4577 87.694 87.729 14.132 1.00 0.00 WT1 H ATOM 14911 OH2 TIP3 4578 48.588 35.395 65.203 1.00 0.00 WT1 O ATOM 14912 H1 TIP3 4578 49.414 35.038 64.877 1.00 0.00 WT1 H ATOM 14913 H2 TIP3 4578 48.780 36.314 65.388 1.00 0.00 WT1 H ATOM 14914 OH2 TIP3 4579 48.056 22.505 0.483 1.00 0.00 WT1 O ATOM 14915 H1 TIP3 4579 47.797 23.016 -0.283 1.00 0.00 WT1 H ATOM 14916 H2 TIP3 4579 48.663 23.074 0.957 1.00 0.00 WT1 H ATOM 14917 OH2 TIP3 4580 49.394 8.183 49.410 1.00 0.00 WT1 O ATOM 14918 H1 TIP3 4580 49.263 8.778 48.671 1.00 0.00 WT1 H ATOM 14919 H2 TIP3 4580 48.695 7.535 49.322 1.00 0.00 WT1 H ATOM 14920 OH2 TIP3 4581 56.037 35.091 39.819 1.00 0.00 WT1 O ATOM 14921 H1 TIP3 4581 56.286 35.659 40.548 1.00 0.00 WT1 H ATOM 14922 H2 TIP3 4581 55.509 35.649 39.249 1.00 0.00 WT1 H ATOM 14923 OH2 TIP3 4582 55.593 43.069 41.226 1.00 0.00 WT1 O ATOM 14924 H1 TIP3 4582 55.379 43.405 42.096 1.00 0.00 WT1 H ATOM 14925 H2 TIP3 4582 55.425 42.129 41.284 1.00 0.00 WT1 H ATOM 14926 OH2 TIP3 4583 88.897 54.875 16.090 1.00 0.00 WT1 O ATOM 14927 H1 TIP3 4583 89.742 55.297 15.934 1.00 0.00 WT1 H ATOM 14928 H2 TIP3 4583 89.052 54.300 16.840 1.00 0.00 WT1 H ATOM 14929 OH2 TIP3 4584 50.967 2.526 -14.242 1.00 0.00 WT1 O ATOM 14930 H1 TIP3 4584 51.772 2.926 -13.915 1.00 0.00 WT1 H ATOM 14931 H2 TIP3 4584 50.673 3.114 -14.938 1.00 0.00 WT1 H ATOM 14932 OH2 TIP3 4586 73.006 7.788 55.622 1.00 0.00 WT1 O ATOM 14933 H1 TIP3 4586 72.716 7.656 54.719 1.00 0.00 WT1 H ATOM 14934 H2 TIP3 4586 72.506 8.545 55.927 1.00 0.00 WT1 H ATOM 14935 OH2 TIP3 4588 46.724 60.610 55.315 1.00 0.00 WT1 O ATOM 14936 H1 TIP3 4588 46.330 59.899 54.809 1.00 0.00 WT1 H ATOM 14937 H2 TIP3 4588 46.767 61.345 54.703 1.00 0.00 WT1 H ATOM 14938 OH2 TIP3 4589 41.222 52.922 57.100 1.00 0.00 WT1 O ATOM 14939 H1 TIP3 4589 41.976 53.198 57.622 1.00 0.00 WT1 H ATOM 14940 H2 TIP3 4589 40.828 53.740 56.798 1.00 0.00 WT1 H ATOM 14941 OH2 TIP3 4591 76.123 62.659 31.507 1.00 0.00 WT1 O ATOM 14942 H1 TIP3 4591 76.625 61.939 31.890 1.00 0.00 WT1 H ATOM 14943 H2 TIP3 4591 75.259 62.591 31.914 1.00 0.00 WT1 H ATOM 14944 OH2 TIP3 4594 41.116 16.178 9.067 1.00 0.00 WT1 O ATOM 14945 H1 TIP3 4594 41.217 15.907 9.980 1.00 0.00 WT1 H ATOM 14946 H2 TIP3 4594 41.563 17.023 9.017 1.00 0.00 WT1 H ATOM 14947 OH2 TIP3 4596 77.262 94.560 27.967 1.00 0.00 WT1 O ATOM 14948 H1 TIP3 4596 77.253 95.462 28.290 1.00 0.00 WT1 H ATOM 14949 H2 TIP3 4596 76.804 94.059 28.641 1.00 0.00 WT1 H ATOM 14950 OH2 TIP3 4597 82.733 63.090 55.452 1.00 0.00 WT1 O ATOM 14951 H1 TIP3 4597 82.776 63.296 54.518 1.00 0.00 WT1 H ATOM 14952 H2 TIP3 4597 82.754 62.133 55.487 1.00 0.00 WT1 H ATOM 14953 OH2 TIP3 4598 43.727 47.917 37.181 1.00 0.00 WT1 O ATOM 14954 H1 TIP3 4598 43.546 48.432 36.395 1.00 0.00 WT1 H ATOM 14955 H2 TIP3 4598 42.883 47.527 37.411 1.00 0.00 WT1 H ATOM 14956 OH2 TIP3 4599 38.215 1.615 3.652 1.00 0.00 WT1 O ATOM 14957 H1 TIP3 4599 38.297 2.541 3.880 1.00 0.00 WT1 H ATOM 14958 H2 TIP3 4599 37.562 1.274 4.263 1.00 0.00 WT1 H ATOM 14959 OH2 TIP3 4600 68.664 53.040 19.010 1.00 0.00 WT1 O ATOM 14960 H1 TIP3 4600 68.893 52.463 18.281 1.00 0.00 WT1 H ATOM 14961 H2 TIP3 4600 67.987 53.616 18.656 1.00 0.00 WT1 H ATOM 14962 OH2 TIP3 4601 26.296 73.314 22.384 1.00 0.00 WT1 O ATOM 14963 H1 TIP3 4601 26.081 72.599 21.785 1.00 0.00 WT1 H ATOM 14964 H2 TIP3 4601 26.896 73.871 21.888 1.00 0.00 WT1 H ATOM 14965 OH2 TIP3 4602 72.587 44.808 -8.204 1.00 0.00 WT1 O ATOM 14966 H1 TIP3 4602 72.312 45.491 -7.592 1.00 0.00 WT1 H ATOM 14967 H2 TIP3 4602 71.800 44.609 -8.711 1.00 0.00 WT1 H ATOM 14968 OH2 TIP3 4603 77.413 60.665 -16.893 1.00 0.00 WT1 O ATOM 14969 H1 TIP3 4603 77.059 60.369 -16.055 1.00 0.00 WT1 H ATOM 14970 H2 TIP3 4603 77.354 61.620 -16.855 1.00 0.00 WT1 H ATOM 14971 OH2 TIP3 4605 56.438 13.972 -16.020 1.00 0.00 WT1 O ATOM 14972 H1 TIP3 4605 55.811 13.319 -15.708 1.00 0.00 WT1 H ATOM 14973 H2 TIP3 4605 57.018 14.123 -15.273 1.00 0.00 WT1 H ATOM 14974 OH2 TIP3 4606 88.090 17.627 44.652 1.00 0.00 WT1 O ATOM 14975 H1 TIP3 4606 87.160 17.442 44.781 1.00 0.00 WT1 H ATOM 14976 H2 TIP3 4606 88.537 17.064 45.284 1.00 0.00 WT1 H ATOM 14977 OH2 TIP3 4607 60.886 1.402 30.793 1.00 0.00 WT1 O ATOM 14978 H1 TIP3 4607 61.503 2.042 30.438 1.00 0.00 WT1 H ATOM 14979 H2 TIP3 4607 61.393 0.594 30.866 1.00 0.00 WT1 H ATOM 14980 OH2 TIP3 4609 29.780 44.270 25.258 1.00 0.00 WT1 O ATOM 14981 H1 TIP3 4609 30.066 45.184 25.237 1.00 0.00 WT1 H ATOM 14982 H2 TIP3 4609 30.593 43.765 25.291 1.00 0.00 WT1 H ATOM 14983 OH2 TIP3 4610 43.181 67.505 -12.060 1.00 0.00 WT1 O ATOM 14984 H1 TIP3 4610 42.446 67.872 -11.569 1.00 0.00 WT1 H ATOM 14985 H2 TIP3 4610 43.948 67.686 -11.516 1.00 0.00 WT1 H ATOM 14986 OH2 TIP3 4612 61.901 85.211 16.876 1.00 0.00 WT1 O ATOM 14987 H1 TIP3 4612 61.795 85.185 15.925 1.00 0.00 WT1 H ATOM 14988 H2 TIP3 4612 61.331 85.925 17.162 1.00 0.00 WT1 H ATOM 14989 OH2 TIP3 4616 81.453 66.263 24.452 1.00 0.00 WT1 O ATOM 14990 H1 TIP3 4616 81.967 66.141 23.654 1.00 0.00 WT1 H ATOM 14991 H2 TIP3 4616 81.927 65.768 25.120 1.00 0.00 WT1 H ATOM 14992 OH2 TIP3 4619 29.718 13.855 11.762 1.00 0.00 WT1 O ATOM 14993 H1 TIP3 4619 29.450 14.696 11.392 1.00 0.00 WT1 H ATOM 14994 H2 TIP3 4619 30.646 13.968 11.969 1.00 0.00 WT1 H ATOM 14995 OH2 TIP3 4620 34.124 75.808 45.739 1.00 0.00 WT1 O ATOM 14996 H1 TIP3 4620 34.069 75.213 44.991 1.00 0.00 WT1 H ATOM 14997 H2 TIP3 4620 34.936 76.295 45.599 1.00 0.00 WT1 H ATOM 14998 OH2 TIP3 4621 71.608 45.685 4.386 1.00 0.00 WT1 O ATOM 14999 H1 TIP3 4621 71.142 44.889 4.643 1.00 0.00 WT1 H ATOM 15000 H2 TIP3 4621 71.321 46.345 5.017 1.00 0.00 WT1 H ATOM 15001 OH2 TIP3 4622 23.429 37.554 11.220 1.00 0.00 WT1 O ATOM 15002 H1 TIP3 4622 23.058 38.280 11.722 1.00 0.00 WT1 H ATOM 15003 H2 TIP3 4622 22.673 37.020 10.976 1.00 0.00 WT1 H ATOM 15004 OH2 TIP3 4623 61.863 93.299 -13.779 1.00 0.00 WT1 O ATOM 15005 H1 TIP3 4623 62.233 92.782 -14.494 1.00 0.00 WT1 H ATOM 15006 H2 TIP3 4623 60.952 93.009 -13.720 1.00 0.00 WT1 H ATOM 15007 OH2 TIP3 4624 68.518 20.338 8.053 1.00 0.00 WT1 O ATOM 15008 H1 TIP3 4624 68.631 20.574 8.974 1.00 0.00 WT1 H ATOM 15009 H2 TIP3 4624 67.631 19.981 8.004 1.00 0.00 WT1 H ATOM 15010 OH2 TIP3 4625 41.391 52.300 -2.508 1.00 0.00 WT1 O ATOM 15011 H1 TIP3 4625 40.891 52.322 -1.692 1.00 0.00 WT1 H ATOM 15012 H2 TIP3 4625 40.735 52.148 -3.188 1.00 0.00 WT1 H ATOM 15013 OH2 TIP3 4626 50.841 26.287 36.288 1.00 0.00 WT1 O ATOM 15014 H1 TIP3 4626 51.319 26.764 35.610 1.00 0.00 WT1 H ATOM 15015 H2 TIP3 4626 50.635 26.949 36.948 1.00 0.00 WT1 H ATOM 15016 OH2 TIP3 4627 55.358 55.419 62.075 1.00 0.00 WT1 O ATOM 15017 H1 TIP3 4627 54.507 55.853 62.011 1.00 0.00 WT1 H ATOM 15018 H2 TIP3 4627 55.724 55.478 61.193 1.00 0.00 WT1 H ATOM 15019 OH2 TIP3 4628 45.157 7.540 28.519 1.00 0.00 WT1 O ATOM 15020 H1 TIP3 4628 45.829 7.660 29.190 1.00 0.00 WT1 H ATOM 15021 H2 TIP3 4628 45.305 8.257 27.902 1.00 0.00 WT1 H ATOM 15022 OH2 TIP3 4629 51.629 47.054 1.218 1.00 0.00 WT1 O ATOM 15023 H1 TIP3 4629 51.821 46.404 1.895 1.00 0.00 WT1 H ATOM 15024 H2 TIP3 4629 52.314 47.715 1.320 1.00 0.00 WT1 H ATOM 15025 OH2 TIP3 4631 31.528 29.795 44.039 1.00 0.00 WT1 O ATOM 15026 H1 TIP3 4631 32.140 30.111 44.703 1.00 0.00 WT1 H ATOM 15027 H2 TIP3 4631 31.968 29.042 43.645 1.00 0.00 WT1 H ATOM 15028 OH2 TIP3 4632 50.564 94.640 22.281 1.00 0.00 WT1 O ATOM 15029 H1 TIP3 4632 50.044 93.974 22.731 1.00 0.00 WT1 H ATOM 15030 H2 TIP3 4632 50.019 94.912 21.543 1.00 0.00 WT1 H ATOM 15031 OH2 TIP3 4633 33.932 12.385 7.970 1.00 0.00 WT1 O ATOM 15032 H1 TIP3 4633 34.221 13.295 8.036 1.00 0.00 WT1 H ATOM 15033 H2 TIP3 4633 33.815 12.237 7.032 1.00 0.00 WT1 H ATOM 15034 OH2 TIP3 4637 24.885 52.490 -8.809 1.00 0.00 WT1 O ATOM 15035 H1 TIP3 4637 24.467 52.364 -9.661 1.00 0.00 WT1 H ATOM 15036 H2 TIP3 4637 24.378 53.187 -8.394 1.00 0.00 WT1 H ATOM 15037 OH2 TIP3 4638 64.923 95.804 -13.228 1.00 0.00 WT1 O ATOM 15038 H1 TIP3 4638 64.374 96.510 -12.886 1.00 0.00 WT1 H ATOM 15039 H2 TIP3 4638 64.636 95.696 -14.135 1.00 0.00 WT1 H ATOM 15040 OH2 TIP3 4639 68.291 11.531 41.568 1.00 0.00 WT1 O ATOM 15041 H1 TIP3 4639 68.558 10.929 40.873 1.00 0.00 WT1 H ATOM 15042 H2 TIP3 4639 68.289 10.997 42.362 1.00 0.00 WT1 H ATOM 15043 OH2 TIP3 4640 79.221 30.601 48.205 1.00 0.00 WT1 O ATOM 15044 H1 TIP3 4640 79.667 29.984 48.785 1.00 0.00 WT1 H ATOM 15045 H2 TIP3 4640 78.674 30.052 47.644 1.00 0.00 WT1 H ATOM 15046 OH2 TIP3 4641 62.264 20.634 12.504 1.00 0.00 WT1 O ATOM 15047 H1 TIP3 4641 63.057 20.864 12.021 1.00 0.00 WT1 H ATOM 15048 H2 TIP3 4641 61.550 20.996 11.980 1.00 0.00 WT1 H ATOM 15049 OH2 TIP3 4643 25.306 27.945 -16.957 1.00 0.00 WT1 O ATOM 15050 H1 TIP3 4643 25.871 28.717 -16.910 1.00 0.00 WT1 H ATOM 15051 H2 TIP3 4643 24.417 28.295 -16.905 1.00 0.00 WT1 H ATOM 15052 OH2 TIP3 4645 22.509 17.468 66.229 1.00 0.00 WT1 O ATOM 15053 H1 TIP3 4645 21.834 16.941 65.801 1.00 0.00 WT1 H ATOM 15054 H2 TIP3 4645 22.599 18.241 65.672 1.00 0.00 WT1 H ATOM 15055 OH2 TIP3 4647 36.359 35.751 13.034 1.00 0.00 WT1 O ATOM 15056 H1 TIP3 4647 35.829 35.720 12.237 1.00 0.00 WT1 H ATOM 15057 H2 TIP3 4647 36.328 36.667 13.308 1.00 0.00 WT1 H ATOM 15058 OH2 TIP3 4648 54.031 46.586 44.016 1.00 0.00 WT1 O ATOM 15059 H1 TIP3 4648 54.403 47.447 44.208 1.00 0.00 WT1 H ATOM 15060 H2 TIP3 4648 53.189 46.775 43.603 1.00 0.00 WT1 H ATOM 15061 OH2 TIP3 4649 58.618 55.492 65.739 1.00 0.00 WT1 O ATOM 15062 H1 TIP3 4649 59.267 54.965 66.205 1.00 0.00 WT1 H ATOM 15063 H2 TIP3 4649 58.132 54.860 65.209 1.00 0.00 WT1 H ATOM 15064 OH2 TIP3 4650 29.188 36.933 22.790 1.00 0.00 WT1 O ATOM 15065 H1 TIP3 4650 29.384 37.849 22.592 1.00 0.00 WT1 H ATOM 15066 H2 TIP3 4650 28.529 36.683 22.143 1.00 0.00 WT1 H ATOM 15067 OH2 TIP3 4653 30.867 83.781 16.272 1.00 0.00 WT1 O ATOM 15068 H1 TIP3 4653 31.674 83.822 15.758 1.00 0.00 WT1 H ATOM 15069 H2 TIP3 4653 31.164 83.741 17.181 1.00 0.00 WT1 H ATOM 15070 OH2 TIP3 4654 27.259 75.735 31.184 1.00 0.00 WT1 O ATOM 15071 H1 TIP3 4654 26.809 75.451 30.388 1.00 0.00 WT1 H ATOM 15072 H2 TIP3 4654 27.963 76.303 30.871 1.00 0.00 WT1 H ATOM 15073 OH2 TIP3 4656 38.471 55.133 -18.538 1.00 0.00 WT1 O ATOM 15074 H1 TIP3 4656 39.200 54.563 -18.783 1.00 0.00 WT1 H ATOM 15075 H2 TIP3 4656 38.771 55.578 -17.746 1.00 0.00 WT1 H ATOM 15076 OH2 TIP3 4657 42.707 20.286 46.821 1.00 0.00 WT1 O ATOM 15077 H1 TIP3 4657 42.735 19.410 46.435 1.00 0.00 WT1 H ATOM 15078 H2 TIP3 4657 43.073 20.857 46.146 1.00 0.00 WT1 H ATOM 15079 OH2 TIP3 4658 56.158 42.042 -9.854 1.00 0.00 WT1 O ATOM 15080 H1 TIP3 4658 55.329 41.993 -9.378 1.00 0.00 WT1 H ATOM 15081 H2 TIP3 4658 55.970 41.646 -10.705 1.00 0.00 WT1 H ATOM 15082 OH2 TIP3 4660 70.220 36.100 14.468 1.00 0.00 WT1 O ATOM 15083 H1 TIP3 4660 69.504 35.501 14.680 1.00 0.00 WT1 H ATOM 15084 H2 TIP3 4660 69.859 36.972 14.628 1.00 0.00 WT1 H ATOM 15085 OH2 TIP3 4661 34.986 50.812 49.324 1.00 0.00 WT1 O ATOM 15086 H1 TIP3 4661 35.707 51.200 49.818 1.00 0.00 WT1 H ATOM 15087 H2 TIP3 4661 34.359 51.527 49.212 1.00 0.00 WT1 H ATOM 15088 OH2 TIP3 4662 22.106 62.109 29.540 1.00 0.00 WT1 O ATOM 15089 H1 TIP3 4662 22.304 61.880 30.448 1.00 0.00 WT1 H ATOM 15090 H2 TIP3 4662 21.314 62.644 29.595 1.00 0.00 WT1 H ATOM 15091 OH2 TIP3 4663 22.738 96.131 55.460 1.00 0.00 WT1 O ATOM 15092 H1 TIP3 4663 23.634 96.372 55.224 1.00 0.00 WT1 H ATOM 15093 H2 TIP3 4663 22.249 96.192 54.639 1.00 0.00 WT1 H ATOM 15094 OH2 TIP3 4664 28.630 46.289 -8.990 1.00 0.00 WT1 O ATOM 15095 H1 TIP3 4664 29.345 46.247 -9.625 1.00 0.00 WT1 H ATOM 15096 H2 TIP3 4664 28.362 47.208 -8.992 1.00 0.00 WT1 H ATOM 15097 OH2 TIP3 4665 66.548 67.937 48.570 1.00 0.00 WT1 O ATOM 15098 H1 TIP3 4665 66.862 68.836 48.669 1.00 0.00 WT1 H ATOM 15099 H2 TIP3 4665 67.103 67.423 49.156 1.00 0.00 WT1 H ATOM 15100 OH2 TIP3 4666 62.584 36.228 16.177 1.00 0.00 WT1 O ATOM 15101 H1 TIP3 4666 62.032 35.779 15.537 1.00 0.00 WT1 H ATOM 15102 H2 TIP3 4666 62.016 36.899 16.556 1.00 0.00 WT1 H ATOM 15103 OH2 TIP3 4667 88.468 4.992 65.092 1.00 0.00 WT1 O ATOM 15104 H1 TIP3 4667 87.803 4.978 65.780 1.00 0.00 WT1 H ATOM 15105 H2 TIP3 4667 88.826 5.879 65.122 1.00 0.00 WT1 H ATOM 15106 OH2 TIP3 4668 77.935 60.954 64.160 1.00 0.00 WT1 O ATOM 15107 H1 TIP3 4668 78.140 61.056 65.089 1.00 0.00 WT1 H ATOM 15108 H2 TIP3 4668 77.096 60.493 64.149 1.00 0.00 WT1 H ATOM 15109 OH2 TIP3 4669 54.124 39.244 11.189 1.00 0.00 WT1 O ATOM 15110 H1 TIP3 4669 53.624 38.906 11.931 1.00 0.00 WT1 H ATOM 15111 H2 TIP3 4669 54.034 40.195 11.251 1.00 0.00 WT1 H ATOM 15112 OH2 TIP3 4670 73.028 45.583 15.177 1.00 0.00 WT1 O ATOM 15113 H1 TIP3 4670 73.215 46.443 15.554 1.00 0.00 WT1 H ATOM 15114 H2 TIP3 4670 72.118 45.408 15.417 1.00 0.00 WT1 H ATOM 15115 OH2 TIP3 4672 65.483 46.964 23.218 1.00 0.00 WT1 O ATOM 15116 H1 TIP3 4672 64.945 47.725 23.432 1.00 0.00 WT1 H ATOM 15117 H2 TIP3 4672 65.229 46.734 22.324 1.00 0.00 WT1 H ATOM 15118 OH2 TIP3 4673 30.320 72.680 15.840 1.00 0.00 WT1 O ATOM 15119 H1 TIP3 4673 30.360 73.447 16.410 1.00 0.00 WT1 H ATOM 15120 H2 TIP3 4673 29.711 72.928 15.145 1.00 0.00 WT1 H ATOM 15121 OH2 TIP3 4679 67.124 22.940 44.413 1.00 0.00 WT1 O ATOM 15122 H1 TIP3 4679 66.849 23.475 43.668 1.00 0.00 WT1 H ATOM 15123 H2 TIP3 4679 68.077 23.028 44.433 1.00 0.00 WT1 H ATOM 15124 OH2 TIP3 4680 78.927 4.705 41.141 1.00 0.00 WT1 O ATOM 15125 H1 TIP3 4680 79.002 5.624 40.881 1.00 0.00 WT1 H ATOM 15126 H2 TIP3 4680 78.372 4.311 40.468 1.00 0.00 WT1 H ATOM 15127 OH2 TIP3 4681 77.238 55.855 61.299 1.00 0.00 WT1 O ATOM 15128 H1 TIP3 4681 76.961 56.634 60.816 1.00 0.00 WT1 H ATOM 15129 H2 TIP3 4681 76.859 55.965 62.170 1.00 0.00 WT1 H ATOM 15130 OH2 TIP3 4682 74.768 44.070 65.627 1.00 0.00 WT1 O ATOM 15131 H1 TIP3 4682 73.931 43.998 66.086 1.00 0.00 WT1 H ATOM 15132 H2 TIP3 4682 74.532 44.353 64.743 1.00 0.00 WT1 H ATOM 15133 OH2 TIP3 4683 46.489 3.516 28.265 1.00 0.00 WT1 O ATOM 15134 H1 TIP3 4683 46.423 3.526 27.310 1.00 0.00 WT1 H ATOM 15135 H2 TIP3 4683 46.408 2.592 28.502 1.00 0.00 WT1 H ATOM 15136 OH2 TIP3 4684 67.741 75.282 20.429 1.00 0.00 WT1 O ATOM 15137 H1 TIP3 4684 68.149 75.993 19.934 1.00 0.00 WT1 H ATOM 15138 H2 TIP3 4684 67.135 74.875 19.809 1.00 0.00 WT1 H ATOM 15139 OH2 TIP3 4685 32.278 69.627 2.940 1.00 0.00 WT1 O ATOM 15140 H1 TIP3 4685 31.349 69.750 2.748 1.00 0.00 WT1 H ATOM 15141 H2 TIP3 4685 32.350 68.709 3.202 1.00 0.00 WT1 H ATOM 15142 OH2 TIP3 4686 35.361 6.446 64.893 1.00 0.00 WT1 O ATOM 15143 H1 TIP3 4686 36.112 6.693 65.432 1.00 0.00 WT1 H ATOM 15144 H2 TIP3 4686 34.632 6.383 65.510 1.00 0.00 WT1 H ATOM 15145 OH2 TIP3 4687 83.150 2.494 39.245 1.00 0.00 WT1 O ATOM 15146 H1 TIP3 4687 82.659 1.738 38.925 1.00 0.00 WT1 H ATOM 15147 H2 TIP3 4687 83.964 2.124 39.586 1.00 0.00 WT1 H ATOM 15148 OH2 TIP3 4690 42.176 19.110 -1.488 1.00 0.00 WT1 O ATOM 15149 H1 TIP3 4690 43.108 18.957 -1.645 1.00 0.00 WT1 H ATOM 15150 H2 TIP3 4690 42.117 19.288 -0.550 1.00 0.00 WT1 H ATOM 15151 OH2 TIP3 4691 33.853 56.703 22.259 1.00 0.00 WT1 O ATOM 15152 H1 TIP3 4691 34.649 57.234 22.225 1.00 0.00 WT1 H ATOM 15153 H2 TIP3 4691 34.144 55.819 22.035 1.00 0.00 WT1 H ATOM 15154 OH2 TIP3 4694 39.987 59.103 47.713 1.00 0.00 WT1 O ATOM 15155 H1 TIP3 4694 40.880 59.183 48.048 1.00 0.00 WT1 H ATOM 15156 H2 TIP3 4694 39.941 59.740 46.999 1.00 0.00 WT1 H ATOM 15157 OH2 TIP3 4701 43.291 5.781 27.874 1.00 0.00 WT1 O ATOM 15158 H1 TIP3 4701 42.547 6.098 28.386 1.00 0.00 WT1 H ATOM 15159 H2 TIP3 4701 44.002 6.387 28.083 1.00 0.00 WT1 H ATOM 15160 OH2 TIP3 4702 57.953 39.565 34.867 1.00 0.00 WT1 O ATOM 15161 H1 TIP3 4702 57.456 39.280 35.634 1.00 0.00 WT1 H ATOM 15162 H2 TIP3 4702 58.711 38.981 34.842 1.00 0.00 WT1 H ATOM 15163 OH2 TIP3 4703 32.680 46.982 65.703 1.00 0.00 WT1 O ATOM 15164 H1 TIP3 4703 32.839 47.366 64.841 1.00 0.00 WT1 H ATOM 15165 H2 TIP3 4703 32.752 46.038 65.563 1.00 0.00 WT1 H ATOM 15166 OH2 TIP3 4704 40.550 74.637 8.446 1.00 0.00 WT1 O ATOM 15167 H1 TIP3 4704 40.307 74.396 9.340 1.00 0.00 WT1 H ATOM 15168 H2 TIP3 4704 41.293 74.071 8.238 1.00 0.00 WT1 H ATOM 15169 OH2 TIP3 4705 67.098 84.083 19.479 1.00 0.00 WT1 O ATOM 15170 H1 TIP3 4705 66.822 83.245 19.850 1.00 0.00 WT1 H ATOM 15171 H2 TIP3 4705 66.375 84.341 18.906 1.00 0.00 WT1 H ATOM 15172 OH2 TIP3 4706 41.480 9.398 59.869 1.00 0.00 WT1 O ATOM 15173 H1 TIP3 4706 41.046 10.148 60.277 1.00 0.00 WT1 H ATOM 15174 H2 TIP3 4706 42.290 9.290 60.366 1.00 0.00 WT1 H ATOM 15175 OH2 TIP3 4707 61.343 58.602 26.155 1.00 0.00 WT1 O ATOM 15176 H1 TIP3 4707 60.922 58.883 25.343 1.00 0.00 WT1 H ATOM 15177 H2 TIP3 4707 60.688 58.057 26.590 1.00 0.00 WT1 H ATOM 15178 OH2 TIP3 4708 51.441 39.227 27.124 1.00 0.00 WT1 O ATOM 15179 H1 TIP3 4708 51.022 39.439 26.290 1.00 0.00 WT1 H ATOM 15180 H2 TIP3 4708 51.624 38.289 27.069 1.00 0.00 WT1 H ATOM 15181 OH2 TIP3 4709 36.062 28.917 55.921 1.00 0.00 WT1 O ATOM 15182 H1 TIP3 4709 35.876 27.990 55.776 1.00 0.00 WT1 H ATOM 15183 H2 TIP3 4709 36.452 28.950 56.795 1.00 0.00 WT1 H ATOM 15184 OH2 TIP3 4710 60.606 27.052 27.207 1.00 0.00 WT1 O ATOM 15185 H1 TIP3 4710 59.998 27.777 27.066 1.00 0.00 WT1 H ATOM 15186 H2 TIP3 4710 60.513 26.505 26.427 1.00 0.00 WT1 H ATOM 15187 OH2 TIP3 4712 24.173 39.472 23.820 1.00 0.00 WT1 O ATOM 15188 H1 TIP3 4712 24.985 39.801 23.435 1.00 0.00 WT1 H ATOM 15189 H2 TIP3 4712 23.532 40.164 23.654 1.00 0.00 WT1 H ATOM 15190 OH2 TIP3 4713 52.285 33.037 14.876 1.00 0.00 WT1 O ATOM 15191 H1 TIP3 4713 51.755 33.832 14.818 1.00 0.00 WT1 H ATOM 15192 H2 TIP3 4713 51.689 32.377 15.232 1.00 0.00 WT1 H ATOM 15193 OH2 TIP3 4717 64.229 40.173 -14.336 1.00 0.00 WT1 O ATOM 15194 H1 TIP3 4717 64.570 39.522 -13.723 1.00 0.00 WT1 H ATOM 15195 H2 TIP3 4717 64.119 39.693 -15.157 1.00 0.00 WT1 H ATOM 15196 OH2 TIP3 4719 66.561 3.157 39.202 1.00 0.00 WT1 O ATOM 15197 H1 TIP3 4719 65.817 2.793 38.722 1.00 0.00 WT1 H ATOM 15198 H2 TIP3 4719 67.330 2.858 38.717 1.00 0.00 WT1 H ATOM 15199 OH2 TIP3 4721 30.455 35.958 33.106 1.00 0.00 WT1 O ATOM 15200 H1 TIP3 4721 30.324 36.769 32.616 1.00 0.00 WT1 H ATOM 15201 H2 TIP3 4721 30.888 35.370 32.487 1.00 0.00 WT1 H ATOM 15202 OH2 TIP3 4722 51.917 45.902 56.956 1.00 0.00 WT1 O ATOM 15203 H1 TIP3 4722 52.730 45.487 56.669 1.00 0.00 WT1 H ATOM 15204 H2 TIP3 4722 52.033 46.829 56.747 1.00 0.00 WT1 H ATOM 15205 OH2 TIP3 4723 68.874 57.760 32.378 1.00 0.00 WT1 O ATOM 15206 H1 TIP3 4723 68.472 56.896 32.280 1.00 0.00 WT1 H ATOM 15207 H2 TIP3 4723 68.760 58.175 31.523 1.00 0.00 WT1 H ATOM 15208 OH2 TIP3 4724 59.195 42.256 34.920 1.00 0.00 WT1 O ATOM 15209 H1 TIP3 4724 60.023 42.672 34.678 1.00 0.00 WT1 H ATOM 15210 H2 TIP3 4724 58.789 42.869 35.532 1.00 0.00 WT1 H ATOM 15211 OH2 TIP3 4725 49.431 78.773 52.910 1.00 0.00 WT1 O ATOM 15212 H1 TIP3 4725 49.033 79.385 53.529 1.00 0.00 WT1 H ATOM 15213 H2 TIP3 4725 49.403 79.229 52.069 1.00 0.00 WT1 H ATOM 15214 OH2 TIP3 4726 68.358 65.917 -7.232 1.00 0.00 WT1 O ATOM 15215 H1 TIP3 4726 67.689 66.388 -7.728 1.00 0.00 WT1 H ATOM 15216 H2 TIP3 4726 68.004 65.033 -7.131 1.00 0.00 WT1 H ATOM 15217 OH2 TIP3 4727 28.080 30.192 36.782 1.00 0.00 WT1 O ATOM 15218 H1 TIP3 4727 27.681 30.976 36.403 1.00 0.00 WT1 H ATOM 15219 H2 TIP3 4727 27.896 29.499 36.147 1.00 0.00 WT1 H ATOM 15220 OH2 TIP3 4729 67.781 22.827 17.692 1.00 0.00 WT1 O ATOM 15221 H1 TIP3 4729 67.466 21.923 17.693 1.00 0.00 WT1 H ATOM 15222 H2 TIP3 4729 67.087 23.323 18.126 1.00 0.00 WT1 H ATOM 15223 OH2 TIP3 4732 77.417 91.376 -17.668 1.00 0.00 WT1 O ATOM 15224 H1 TIP3 4732 77.963 92.046 -18.080 1.00 0.00 WT1 H ATOM 15225 H2 TIP3 4732 77.184 91.746 -16.816 1.00 0.00 WT1 H ATOM 15226 OH2 TIP3 4733 74.120 67.447 35.602 1.00 0.00 WT1 O ATOM 15227 H1 TIP3 4733 73.187 67.508 35.398 1.00 0.00 WT1 H ATOM 15228 H2 TIP3 4733 74.554 67.462 34.749 1.00 0.00 WT1 H ATOM 15229 OH2 TIP3 4736 33.355 63.048 20.796 1.00 0.00 WT1 O ATOM 15230 H1 TIP3 4736 34.196 63.443 21.025 1.00 0.00 WT1 H ATOM 15231 H2 TIP3 4736 33.109 63.468 19.972 1.00 0.00 WT1 H ATOM 15232 OH2 TIP3 4737 58.240 49.952 33.734 1.00 0.00 WT1 O ATOM 15233 H1 TIP3 4737 57.300 50.134 33.731 1.00 0.00 WT1 H ATOM 15234 H2 TIP3 4737 58.555 50.305 32.902 1.00 0.00 WT1 H ATOM 15235 OH2 TIP3 4739 77.577 57.078 57.750 1.00 0.00 WT1 O ATOM 15236 H1 TIP3 4739 78.409 57.156 58.216 1.00 0.00 WT1 H ATOM 15237 H2 TIP3 4739 77.785 57.313 56.846 1.00 0.00 WT1 H ATOM 15238 OH2 TIP3 4743 46.596 49.548 7.083 1.00 0.00 WT1 O ATOM 15239 H1 TIP3 4743 46.404 49.448 8.015 1.00 0.00 WT1 H ATOM 15240 H2 TIP3 4743 47.545 49.442 7.020 1.00 0.00 WT1 H ATOM 15241 OH2 TIP3 4746 30.447 46.211 -11.082 1.00 0.00 WT1 O ATOM 15242 H1 TIP3 4746 30.722 46.944 -11.632 1.00 0.00 WT1 H ATOM 15243 H2 TIP3 4746 30.347 45.479 -11.690 1.00 0.00 WT1 H ATOM 15244 OH2 TIP3 4747 51.873 27.778 1.936 1.00 0.00 WT1 O ATOM 15245 H1 TIP3 4747 51.631 26.987 1.453 1.00 0.00 WT1 H ATOM 15246 H2 TIP3 4747 51.233 27.830 2.647 1.00 0.00 WT1 H ATOM 15247 OH2 TIP3 4748 26.100 29.360 20.293 1.00 0.00 WT1 O ATOM 15248 H1 TIP3 4748 26.010 29.032 19.398 1.00 0.00 WT1 H ATOM 15249 H2 TIP3 4748 26.979 29.739 20.322 1.00 0.00 WT1 H ATOM 15250 OH2 TIP3 4749 41.807 30.228 41.851 1.00 0.00 WT1 O ATOM 15251 H1 TIP3 4749 41.417 30.845 41.232 1.00 0.00 WT1 H ATOM 15252 H2 TIP3 4749 42.536 30.710 42.243 1.00 0.00 WT1 H ATOM 15253 OH2 TIP3 4750 45.010 61.451 51.419 1.00 0.00 WT1 O ATOM 15254 H1 TIP3 4750 44.623 62.088 50.819 1.00 0.00 WT1 H ATOM 15255 H2 TIP3 4750 45.398 60.788 50.847 1.00 0.00 WT1 H ATOM 15256 OH2 TIP3 4751 35.012 43.446 23.780 1.00 0.00 WT1 O ATOM 15257 H1 TIP3 4751 35.352 42.566 23.939 1.00 0.00 WT1 H ATOM 15258 H2 TIP3 4751 35.442 43.727 22.971 1.00 0.00 WT1 H ATOM 15259 OH2 TIP3 4752 53.647 40.962 49.022 1.00 0.00 WT1 O ATOM 15260 H1 TIP3 4752 53.420 40.100 48.674 1.00 0.00 WT1 H ATOM 15261 H2 TIP3 4752 52.974 41.546 48.672 1.00 0.00 WT1 H ATOM 15262 OH2 TIP3 4754 90.279 24.461 -7.347 1.00 0.00 WT1 O ATOM 15263 H1 TIP3 4754 89.976 24.880 -8.152 1.00 0.00 WT1 H ATOM 15264 H2 TIP3 4754 91.232 24.552 -7.373 1.00 0.00 WT1 H ATOM 15265 OH2 TIP3 4759 85.288 17.807 64.221 1.00 0.00 WT1 O ATOM 15266 H1 TIP3 4759 85.929 18.059 63.556 1.00 0.00 WT1 H ATOM 15267 H2 TIP3 4759 84.728 17.166 63.784 1.00 0.00 WT1 H ATOM 15268 OH2 TIP3 4760 27.762 23.299 40.554 1.00 0.00 WT1 O ATOM 15269 H1 TIP3 4760 28.199 23.112 41.385 1.00 0.00 WT1 H ATOM 15270 H2 TIP3 4760 27.503 24.218 40.620 1.00 0.00 WT1 H ATOM 15271 OH2 TIP3 4761 81.543 44.152 43.649 1.00 0.00 WT1 O ATOM 15272 H1 TIP3 4761 80.866 44.829 43.650 1.00 0.00 WT1 H ATOM 15273 H2 TIP3 4761 81.123 43.394 43.241 1.00 0.00 WT1 H ATOM 15274 OH2 TIP3 4765 74.360 27.847 37.401 1.00 0.00 WT1 O ATOM 15275 H1 TIP3 4765 74.601 28.762 37.260 1.00 0.00 WT1 H ATOM 15276 H2 TIP3 4765 74.724 27.384 36.646 1.00 0.00 WT1 H ATOM 15277 OH2 TIP3 4767 63.746 66.220 65.683 1.00 0.00 WT1 O ATOM 15278 H1 TIP3 4767 63.859 66.939 65.062 1.00 0.00 WT1 H ATOM 15279 H2 TIP3 4767 63.696 66.647 66.538 1.00 0.00 WT1 H ATOM 15280 OH2 TIP3 4768 26.348 19.866 -7.469 1.00 0.00 WT1 O ATOM 15281 H1 TIP3 4768 26.940 19.646 -6.750 1.00 0.00 WT1 H ATOM 15282 H2 TIP3 4768 25.589 20.263 -7.041 1.00 0.00 WT1 H ATOM 15283 OH2 TIP3 4769 21.867 89.051 54.883 1.00 0.00 WT1 O ATOM 15284 H1 TIP3 4769 22.513 88.495 55.319 1.00 0.00 WT1 H ATOM 15285 H2 TIP3 4769 22.381 89.765 54.506 1.00 0.00 WT1 H ATOM 15286 OH2 TIP3 4770 82.782 81.248 59.849 1.00 0.00 WT1 O ATOM 15287 H1 TIP3 4770 82.220 81.948 60.181 1.00 0.00 WT1 H ATOM 15288 H2 TIP3 4770 82.314 80.442 60.063 1.00 0.00 WT1 H ATOM 15289 OH2 TIP3 4771 34.487 43.437 16.012 1.00 0.00 WT1 O ATOM 15290 H1 TIP3 4771 34.890 42.616 16.293 1.00 0.00 WT1 H ATOM 15291 H2 TIP3 4771 34.446 43.969 16.807 1.00 0.00 WT1 H ATOM 15292 OH2 TIP3 4772 88.281 78.553 43.235 1.00 0.00 WT1 O ATOM 15293 H1 TIP3 4772 88.143 79.263 42.609 1.00 0.00 WT1 H ATOM 15294 H2 TIP3 4772 88.388 77.772 42.692 1.00 0.00 WT1 H ATOM 15295 OH2 TIP3 4773 27.712 0.834 15.253 1.00 0.00 WT1 O ATOM 15296 H1 TIP3 4773 28.655 0.690 15.172 1.00 0.00 WT1 H ATOM 15297 H2 TIP3 4773 27.557 1.664 14.803 1.00 0.00 WT1 H ATOM 15298 OH2 TIP3 4774 71.402 58.643 62.681 1.00 0.00 WT1 O ATOM 15299 H1 TIP3 4774 71.438 59.376 63.295 1.00 0.00 WT1 H ATOM 15300 H2 TIP3 4774 70.731 58.894 62.046 1.00 0.00 WT1 H ATOM 15301 OH2 TIP3 4776 51.221 33.598 18.179 1.00 0.00 WT1 O ATOM 15302 H1 TIP3 4776 52.133 33.706 18.450 1.00 0.00 WT1 H ATOM 15303 H2 TIP3 4776 50.734 33.522 19.000 1.00 0.00 WT1 H ATOM 15304 OH2 TIP3 4777 67.043 87.496 34.838 1.00 0.00 WT1 O ATOM 15305 H1 TIP3 4777 66.484 87.211 34.115 1.00 0.00 WT1 H ATOM 15306 H2 TIP3 4777 67.003 86.778 35.469 1.00 0.00 WT1 H ATOM 15307 OH2 TIP3 4779 50.584 87.984 37.056 1.00 0.00 WT1 O ATOM 15308 H1 TIP3 4779 49.949 87.294 36.865 1.00 0.00 WT1 H ATOM 15309 H2 TIP3 4779 50.187 88.484 37.770 1.00 0.00 WT1 H ATOM 15310 OH2 TIP3 4783 76.676 46.904 45.260 1.00 0.00 WT1 O ATOM 15311 H1 TIP3 4783 76.471 47.832 45.373 1.00 0.00 WT1 H ATOM 15312 H2 TIP3 4783 76.009 46.447 45.773 1.00 0.00 WT1 H ATOM 15313 OH2 TIP3 4786 39.912 83.716 37.522 1.00 0.00 WT1 O ATOM 15314 H1 TIP3 4786 39.711 84.597 37.205 1.00 0.00 WT1 H ATOM 15315 H2 TIP3 4786 39.688 83.141 36.790 1.00 0.00 WT1 H ATOM 15316 OH2 TIP3 4787 27.427 32.666 -7.536 1.00 0.00 WT1 O ATOM 15317 H1 TIP3 4787 27.912 33.462 -7.754 1.00 0.00 WT1 H ATOM 15318 H2 TIP3 4787 26.823 32.545 -8.269 1.00 0.00 WT1 H ATOM 15319 OH2 TIP3 4788 88.541 29.536 34.910 1.00 0.00 WT1 O ATOM 15320 H1 TIP3 4788 88.082 29.300 34.104 1.00 0.00 WT1 H ATOM 15321 H2 TIP3 4788 89.198 30.174 34.633 1.00 0.00 WT1 H ATOM 15322 OH2 TIP3 4790 34.075 4.532 10.982 1.00 0.00 WT1 O ATOM 15323 H1 TIP3 4790 33.893 5.471 11.030 1.00 0.00 WT1 H ATOM 15324 H2 TIP3 4790 33.767 4.185 11.819 1.00 0.00 WT1 H ATOM 15325 OH2 TIP3 4791 60.517 25.600 -8.843 1.00 0.00 WT1 O ATOM 15326 H1 TIP3 4791 60.161 26.000 -8.049 1.00 0.00 WT1 H ATOM 15327 H2 TIP3 4791 59.882 24.922 -9.075 1.00 0.00 WT1 H ATOM 15328 OH2 TIP3 4793 77.498 59.054 22.743 1.00 0.00 WT1 O ATOM 15329 H1 TIP3 4793 76.603 58.845 22.476 1.00 0.00 WT1 H ATOM 15330 H2 TIP3 4793 77.977 58.232 22.642 1.00 0.00 WT1 H ATOM 15331 OH2 TIP3 4794 54.389 95.031 0.464 1.00 0.00 WT1 O ATOM 15332 H1 TIP3 4794 54.154 94.160 0.784 1.00 0.00 WT1 H ATOM 15333 H2 TIP3 4794 54.676 95.504 1.245 1.00 0.00 WT1 H ATOM 15334 OH2 TIP3 4796 54.766 50.444 18.157 1.00 0.00 WT1 O ATOM 15335 H1 TIP3 4796 55.438 50.470 18.839 1.00 0.00 WT1 H ATOM 15336 H2 TIP3 4796 53.939 50.403 18.638 1.00 0.00 WT1 H ATOM 15337 OH2 TIP3 4797 44.708 47.131 -7.957 1.00 0.00 WT1 O ATOM 15338 H1 TIP3 4797 45.197 47.892 -8.270 1.00 0.00 WT1 H ATOM 15339 H2 TIP3 4797 44.921 47.075 -7.026 1.00 0.00 WT1 H ATOM 15340 OH2 TIP3 4798 26.216 3.589 22.483 1.00 0.00 WT1 O ATOM 15341 H1 TIP3 4798 26.728 2.836 22.188 1.00 0.00 WT1 H ATOM 15342 H2 TIP3 4798 26.838 4.317 22.486 1.00 0.00 WT1 H ATOM 15343 OH2 TIP3 4799 66.449 74.879 29.358 1.00 0.00 WT1 O ATOM 15344 H1 TIP3 4799 66.318 75.392 30.156 1.00 0.00 WT1 H ATOM 15345 H2 TIP3 4799 65.569 74.603 29.103 1.00 0.00 WT1 H ATOM 15346 OH2 TIP3 4800 79.501 15.531 55.000 1.00 0.00 WT1 O ATOM 15347 H1 TIP3 4800 79.147 16.412 55.115 1.00 0.00 WT1 H ATOM 15348 H2 TIP3 4800 79.587 15.428 54.052 1.00 0.00 WT1 H ATOM 15349 OH2 TIP3 4801 59.935 16.913 13.580 1.00 0.00 WT1 O ATOM 15350 H1 TIP3 4801 60.334 16.703 14.425 1.00 0.00 WT1 H ATOM 15351 H2 TIP3 4801 59.004 17.015 13.774 1.00 0.00 WT1 H ATOM 15352 OH2 TIP3 4804 85.342 27.125 9.550 1.00 0.00 WT1 O ATOM 15353 H1 TIP3 4804 84.743 27.278 8.820 1.00 0.00 WT1 H ATOM 15354 H2 TIP3 4804 86.120 27.640 9.334 1.00 0.00 WT1 H ATOM 15355 OH2 TIP3 4805 33.960 88.175 41.764 1.00 0.00 WT1 O ATOM 15356 H1 TIP3 4805 34.661 87.765 41.258 1.00 0.00 WT1 H ATOM 15357 H2 TIP3 4805 34.379 88.442 42.582 1.00 0.00 WT1 H ATOM 15358 OH2 TIP3 4806 54.438 2.667 -10.153 1.00 0.00 WT1 O ATOM 15359 H1 TIP3 4806 55.317 2.340 -10.345 1.00 0.00 WT1 H ATOM 15360 H2 TIP3 4806 54.081 2.039 -9.525 1.00 0.00 WT1 H ATOM 15361 OH2 TIP3 4807 78.031 34.724 25.349 1.00 0.00 WT1 O ATOM 15362 H1 TIP3 4807 78.101 35.329 26.088 1.00 0.00 WT1 H ATOM 15363 H2 TIP3 4807 78.713 35.009 24.741 1.00 0.00 WT1 H ATOM 15364 OH2 TIP3 4808 86.154 93.040 36.079 1.00 0.00 WT1 O ATOM 15365 H1 TIP3 4808 86.341 92.118 36.255 1.00 0.00 WT1 H ATOM 15366 H2 TIP3 4808 86.947 93.369 35.655 1.00 0.00 WT1 H ATOM 15367 OH2 TIP3 4809 89.731 41.993 30.109 1.00 0.00 WT1 O ATOM 15368 H1 TIP3 4809 89.897 42.923 29.953 1.00 0.00 WT1 H ATOM 15369 H2 TIP3 4809 90.589 41.630 30.330 1.00 0.00 WT1 H ATOM 15370 OH2 TIP3 4812 62.663 13.903 44.972 1.00 0.00 WT1 O ATOM 15371 H1 TIP3 4812 63.542 13.716 44.642 1.00 0.00 WT1 H ATOM 15372 H2 TIP3 4812 62.404 14.706 44.521 1.00 0.00 WT1 H ATOM 15373 OH2 TIP3 4813 33.217 40.372 -17.595 1.00 0.00 WT1 O ATOM 15374 H1 TIP3 4813 34.075 40.478 -18.005 1.00 0.00 WT1 H ATOM 15375 H2 TIP3 4813 33.163 41.089 -16.962 1.00 0.00 WT1 H ATOM 15376 OH2 TIP3 4814 25.397 32.470 3.447 1.00 0.00 WT1 O ATOM 15377 H1 TIP3 4814 25.196 32.684 4.358 1.00 0.00 WT1 H ATOM 15378 H2 TIP3 4814 26.270 32.833 3.302 1.00 0.00 WT1 H ATOM 15379 OH2 TIP3 4815 48.931 79.547 17.339 1.00 0.00 WT1 O ATOM 15380 H1 TIP3 4815 49.624 78.986 17.687 1.00 0.00 WT1 H ATOM 15381 H2 TIP3 4815 48.325 79.663 18.071 1.00 0.00 WT1 H ATOM 15382 OH2 TIP3 4816 85.079 7.880 43.781 1.00 0.00 WT1 O ATOM 15383 H1 TIP3 4816 85.282 7.085 44.274 1.00 0.00 WT1 H ATOM 15384 H2 TIP3 4816 84.585 7.572 43.021 1.00 0.00 WT1 H ATOM 15385 OH2 TIP3 4820 40.350 4.740 -18.163 1.00 0.00 WT1 O ATOM 15386 H1 TIP3 4820 40.846 4.069 -17.693 1.00 0.00 WT1 H ATOM 15387 H2 TIP3 4820 40.804 4.831 -19.001 1.00 0.00 WT1 H ATOM 15388 OH2 TIP3 4821 86.234 79.090 -5.338 1.00 0.00 WT1 O ATOM 15389 H1 TIP3 4821 85.994 79.775 -5.962 1.00 0.00 WT1 H ATOM 15390 H2 TIP3 4821 87.188 79.140 -5.282 1.00 0.00 WT1 H ATOM 15391 OH2 TIP3 4822 46.277 38.454 45.286 1.00 0.00 WT1 O ATOM 15392 H1 TIP3 4822 45.386 38.796 45.350 1.00 0.00 WT1 H ATOM 15393 H2 TIP3 4822 46.823 39.128 45.691 1.00 0.00 WT1 H ATOM 15394 OH2 TIP3 4824 81.416 50.392 3.613 1.00 0.00 WT1 O ATOM 15395 H1 TIP3 4824 82.238 50.879 3.684 1.00 0.00 WT1 H ATOM 15396 H2 TIP3 4824 80.735 51.054 3.730 1.00 0.00 WT1 H ATOM 15397 OH2 TIP3 4825 34.510 42.562 60.058 1.00 0.00 WT1 O ATOM 15398 H1 TIP3 4825 34.459 43.512 59.948 1.00 0.00 WT1 H ATOM 15399 H2 TIP3 4825 34.141 42.401 60.926 1.00 0.00 WT1 H ATOM 15400 OH2 TIP3 4829 77.038 12.029 62.532 1.00 0.00 WT1 O ATOM 15401 H1 TIP3 4829 76.105 12.118 62.338 1.00 0.00 WT1 H ATOM 15402 H2 TIP3 4829 77.244 11.121 62.312 1.00 0.00 WT1 H ATOM 15403 OH2 TIP3 4832 59.891 95.040 12.749 1.00 0.00 WT1 O ATOM 15404 H1 TIP3 4832 59.494 95.895 12.587 1.00 0.00 WT1 H ATOM 15405 H2 TIP3 4832 59.359 94.428 12.240 1.00 0.00 WT1 H ATOM 15406 OH2 TIP3 4833 50.593 89.840 -9.949 1.00 0.00 WT1 O ATOM 15407 H1 TIP3 4833 49.985 89.284 -10.437 1.00 0.00 WT1 H ATOM 15408 H2 TIP3 4833 51.422 89.363 -9.968 1.00 0.00 WT1 H ATOM 15409 OH2 TIP3 4834 41.814 12.727 0.845 1.00 0.00 WT1 O ATOM 15410 H1 TIP3 4834 40.995 13.125 1.141 1.00 0.00 WT1 H ATOM 15411 H2 TIP3 4834 41.613 11.794 0.769 1.00 0.00 WT1 H ATOM 15412 OH2 TIP3 4835 76.484 6.730 37.179 1.00 0.00 WT1 O ATOM 15413 H1 TIP3 4835 75.859 6.335 36.571 1.00 0.00 WT1 H ATOM 15414 H2 TIP3 4835 77.259 6.170 37.125 1.00 0.00 WT1 H ATOM 15415 OH2 TIP3 4836 63.312 65.881 -14.381 1.00 0.00 WT1 O ATOM 15416 H1 TIP3 4836 62.678 65.849 -15.097 1.00 0.00 WT1 H ATOM 15417 H2 TIP3 4836 63.076 66.666 -13.887 1.00 0.00 WT1 H ATOM 15418 OH2 TIP3 4837 37.324 71.694 13.735 1.00 0.00 WT1 O ATOM 15419 H1 TIP3 4837 37.081 72.620 13.714 1.00 0.00 WT1 H ATOM 15420 H2 TIP3 4837 38.028 71.645 14.381 1.00 0.00 WT1 H ATOM 15421 OH2 TIP3 4838 45.636 5.964 36.691 1.00 0.00 WT1 O ATOM 15422 H1 TIP3 4838 45.380 5.470 37.470 1.00 0.00 WT1 H ATOM 15423 H2 TIP3 4838 46.584 6.068 36.772 1.00 0.00 WT1 H ATOM 15424 OH2 TIP3 4839 47.696 17.132 -11.174 1.00 0.00 WT1 O ATOM 15425 H1 TIP3 4839 48.492 17.649 -11.300 1.00 0.00 WT1 H ATOM 15426 H2 TIP3 4839 47.010 17.637 -11.610 1.00 0.00 WT1 H ATOM 15427 OH2 TIP3 4841 47.016 12.892 -10.349 1.00 0.00 WT1 O ATOM 15428 H1 TIP3 4841 47.543 12.110 -10.181 1.00 0.00 WT1 H ATOM 15429 H2 TIP3 4841 47.538 13.613 -9.998 1.00 0.00 WT1 H ATOM 15430 OH2 TIP3 4844 45.532 81.820 46.066 1.00 0.00 WT1 O ATOM 15431 H1 TIP3 4844 45.229 81.761 46.972 1.00 0.00 WT1 H ATOM 15432 H2 TIP3 4844 44.941 81.248 45.577 1.00 0.00 WT1 H ATOM 15433 OH2 TIP3 4845 55.837 88.018 3.128 1.00 0.00 WT1 O ATOM 15434 H1 TIP3 4845 55.559 88.244 2.241 1.00 0.00 WT1 H ATOM 15435 H2 TIP3 4845 55.090 87.552 3.502 1.00 0.00 WT1 H ATOM 15436 OH2 TIP3 4847 48.962 85.458 49.884 1.00 0.00 WT1 O ATOM 15437 H1 TIP3 4847 49.660 85.252 50.505 1.00 0.00 WT1 H ATOM 15438 H2 TIP3 4847 49.332 86.141 49.325 1.00 0.00 WT1 H ATOM 15439 OH2 TIP3 4849 85.069 47.151 64.204 1.00 0.00 WT1 O ATOM 15440 H1 TIP3 4849 84.318 46.879 64.732 1.00 0.00 WT1 H ATOM 15441 H2 TIP3 4849 84.689 47.679 63.501 1.00 0.00 WT1 H ATOM 15442 OH2 TIP3 4850 31.829 33.594 19.804 1.00 0.00 WT1 O ATOM 15443 H1 TIP3 4850 32.495 33.801 20.460 1.00 0.00 WT1 H ATOM 15444 H2 TIP3 4850 32.007 32.686 19.560 1.00 0.00 WT1 H ATOM 15445 OH2 TIP3 4851 51.850 33.220 58.099 1.00 0.00 WT1 O ATOM 15446 H1 TIP3 4851 52.279 34.025 57.808 1.00 0.00 WT1 H ATOM 15447 H2 TIP3 4851 50.974 33.263 57.716 1.00 0.00 WT1 H ATOM 15448 OH2 TIP3 4852 57.519 82.395 -6.735 1.00 0.00 WT1 O ATOM 15449 H1 TIP3 4852 57.295 81.586 -6.276 1.00 0.00 WT1 H ATOM 15450 H2 TIP3 4852 57.062 83.081 -6.249 1.00 0.00 WT1 H ATOM 15451 OH2 TIP3 4853 44.354 41.756 63.270 1.00 0.00 WT1 O ATOM 15452 H1 TIP3 4853 44.764 42.602 63.088 1.00 0.00 WT1 H ATOM 15453 H2 TIP3 4853 43.770 41.926 64.009 1.00 0.00 WT1 H ATOM 15454 OH2 TIP3 4854 74.569 23.357 -6.825 1.00 0.00 WT1 O ATOM 15455 H1 TIP3 4854 73.726 22.938 -6.654 1.00 0.00 WT1 H ATOM 15456 H2 TIP3 4854 74.344 24.193 -7.234 1.00 0.00 WT1 H ATOM 15457 OH2 TIP3 4855 67.041 28.480 18.872 1.00 0.00 WT1 O ATOM 15458 H1 TIP3 4855 66.143 28.809 18.882 1.00 0.00 WT1 H ATOM 15459 H2 TIP3 4855 67.006 27.671 19.383 1.00 0.00 WT1 H ATOM 15460 OH2 TIP3 4856 89.584 24.706 -4.507 1.00 0.00 WT1 O ATOM 15461 H1 TIP3 4856 88.823 25.225 -4.767 1.00 0.00 WT1 H ATOM 15462 H2 TIP3 4856 89.988 24.442 -5.334 1.00 0.00 WT1 H ATOM 15463 OH2 TIP3 4857 56.589 15.777 21.072 1.00 0.00 WT1 O ATOM 15464 H1 TIP3 4857 56.661 15.484 20.164 1.00 0.00 WT1 H ATOM 15465 H2 TIP3 4857 56.608 16.732 21.019 1.00 0.00 WT1 H ATOM 15466 OH2 TIP3 4858 51.244 5.088 18.556 1.00 0.00 WT1 O ATOM 15467 H1 TIP3 4858 51.173 5.097 17.602 1.00 0.00 WT1 H ATOM 15468 H2 TIP3 4858 51.006 5.976 18.823 1.00 0.00 WT1 H ATOM 15469 OH2 TIP3 4859 72.848 7.521 4.258 1.00 0.00 WT1 O ATOM 15470 H1 TIP3 4859 73.586 6.990 4.557 1.00 0.00 WT1 H ATOM 15471 H2 TIP3 4859 73.091 8.419 4.487 1.00 0.00 WT1 H ATOM 15472 OH2 TIP3 4861 77.616 31.880 60.261 1.00 0.00 WT1 O ATOM 15473 H1 TIP3 4861 78.326 31.682 59.650 1.00 0.00 WT1 H ATOM 15474 H2 TIP3 4861 77.682 32.823 60.409 1.00 0.00 WT1 H ATOM 15475 OH2 TIP3 4862 55.418 59.263 -4.503 1.00 0.00 WT1 O ATOM 15476 H1 TIP3 4862 55.654 60.154 -4.248 1.00 0.00 WT1 H ATOM 15477 H2 TIP3 4862 55.887 58.704 -3.883 1.00 0.00 WT1 H ATOM 15478 OH2 TIP3 4863 29.282 17.409 21.460 1.00 0.00 WT1 O ATOM 15479 H1 TIP3 4863 29.267 18.325 21.737 1.00 0.00 WT1 H ATOM 15480 H2 TIP3 4863 28.775 17.395 20.649 1.00 0.00 WT1 H ATOM 15481 OH2 TIP3 4864 30.165 27.102 21.842 1.00 0.00 WT1 O ATOM 15482 H1 TIP3 4864 30.383 27.829 22.425 1.00 0.00 WT1 H ATOM 15483 H2 TIP3 4864 30.452 27.394 20.977 1.00 0.00 WT1 H ATOM 15484 OH2 TIP3 4866 88.281 81.471 32.295 1.00 0.00 WT1 O ATOM 15485 H1 TIP3 4866 89.055 82.035 32.291 1.00 0.00 WT1 H ATOM 15486 H2 TIP3 4866 88.045 81.380 31.372 1.00 0.00 WT1 H ATOM 15487 OH2 TIP3 4869 73.138 27.593 21.552 1.00 0.00 WT1 O ATOM 15488 H1 TIP3 4869 73.174 26.820 22.116 1.00 0.00 WT1 H ATOM 15489 H2 TIP3 4869 72.978 27.242 20.675 1.00 0.00 WT1 H ATOM 15490 OH2 TIP3 4870 68.194 16.481 -3.555 1.00 0.00 WT1 O ATOM 15491 H1 TIP3 4870 68.928 17.095 -3.573 1.00 0.00 WT1 H ATOM 15492 H2 TIP3 4870 68.232 16.088 -2.683 1.00 0.00 WT1 H ATOM 15493 OH2 TIP3 4872 59.095 16.409 28.021 1.00 0.00 WT1 O ATOM 15494 H1 TIP3 4872 58.278 16.347 28.515 1.00 0.00 WT1 H ATOM 15495 H2 TIP3 4872 59.150 17.328 27.761 1.00 0.00 WT1 H ATOM 15496 OH2 TIP3 4873 76.470 45.112 29.455 1.00 0.00 WT1 O ATOM 15497 H1 TIP3 4873 76.913 44.396 29.001 1.00 0.00 WT1 H ATOM 15498 H2 TIP3 4873 75.548 45.016 29.215 1.00 0.00 WT1 H ATOM 15499 OH2 TIP3 4874 24.851 7.434 66.661 1.00 0.00 WT1 O ATOM 15500 H1 TIP3 4874 25.540 6.817 66.908 1.00 0.00 WT1 H ATOM 15501 H2 TIP3 4874 24.452 7.049 65.881 1.00 0.00 WT1 H ATOM 15502 OH2 TIP3 4875 34.750 27.361 7.829 1.00 0.00 WT1 O ATOM 15503 H1 TIP3 4875 34.559 27.893 8.602 1.00 0.00 WT1 H ATOM 15504 H2 TIP3 4875 34.685 27.973 7.095 1.00 0.00 WT1 H ATOM 15505 OH2 TIP3 4876 68.515 38.239 32.384 1.00 0.00 WT1 O ATOM 15506 H1 TIP3 4876 68.492 39.185 32.236 1.00 0.00 WT1 H ATOM 15507 H2 TIP3 4876 67.810 37.894 31.835 1.00 0.00 WT1 H ATOM 15508 OH2 TIP3 4877 23.816 5.184 -5.050 1.00 0.00 WT1 O ATOM 15509 H1 TIP3 4877 23.764 5.802 -4.320 1.00 0.00 WT1 H ATOM 15510 H2 TIP3 4877 23.405 5.643 -5.782 1.00 0.00 WT1 H ATOM 15511 OH2 TIP3 4879 52.498 4.994 -7.567 1.00 0.00 WT1 O ATOM 15512 H1 TIP3 4879 52.819 5.669 -8.165 1.00 0.00 WT1 H ATOM 15513 H2 TIP3 4879 51.550 4.985 -7.702 1.00 0.00 WT1 H ATOM 15514 OH2 TIP3 4880 86.373 89.136 51.882 1.00 0.00 WT1 O ATOM 15515 H1 TIP3 4880 85.925 89.155 52.727 1.00 0.00 WT1 H ATOM 15516 H2 TIP3 4880 87.252 89.465 52.068 1.00 0.00 WT1 H ATOM 15517 OH2 TIP3 4881 42.280 14.896 21.499 1.00 0.00 WT1 O ATOM 15518 H1 TIP3 4881 41.899 15.774 21.523 1.00 0.00 WT1 H ATOM 15519 H2 TIP3 4881 42.143 14.600 20.599 1.00 0.00 WT1 H ATOM 15520 OH2 TIP3 4882 89.737 6.245 35.348 1.00 0.00 WT1 O ATOM 15521 H1 TIP3 4882 90.598 6.161 35.758 1.00 0.00 WT1 H ATOM 15522 H2 TIP3 4882 89.876 6.851 34.619 1.00 0.00 WT1 H ATOM 15523 OH2 TIP3 4884 55.958 95.625 31.102 1.00 0.00 WT1 O ATOM 15524 H1 TIP3 4884 55.390 94.892 31.338 1.00 0.00 WT1 H ATOM 15525 H2 TIP3 4884 55.380 96.241 30.652 1.00 0.00 WT1 H ATOM 15526 OH2 TIP3 4887 32.125 6.805 55.795 1.00 0.00 WT1 O ATOM 15527 H1 TIP3 4887 32.859 6.526 55.247 1.00 0.00 WT1 H ATOM 15528 H2 TIP3 4887 32.165 6.232 56.560 1.00 0.00 WT1 H ATOM 15529 OH2 TIP3 4888 65.695 77.909 61.746 1.00 0.00 WT1 O ATOM 15530 H1 TIP3 4888 64.803 77.809 61.412 1.00 0.00 WT1 H ATOM 15531 H2 TIP3 4888 66.165 78.361 61.046 1.00 0.00 WT1 H ATOM 15532 OH2 TIP3 4890 46.361 10.490 55.991 1.00 0.00 WT1 O ATOM 15533 H1 TIP3 4890 46.079 10.958 55.205 1.00 0.00 WT1 H ATOM 15534 H2 TIP3 4890 45.604 9.958 56.237 1.00 0.00 WT1 H ATOM 15535 OH2 TIP3 4891 46.314 30.235 46.306 1.00 0.00 WT1 O ATOM 15536 H1 TIP3 4891 46.678 30.833 45.653 1.00 0.00 WT1 H ATOM 15537 H2 TIP3 4891 46.733 30.493 47.127 1.00 0.00 WT1 H ATOM 15538 OH2 TIP3 4893 69.293 65.273 -10.512 1.00 0.00 WT1 O ATOM 15539 H1 TIP3 4893 68.500 65.738 -10.780 1.00 0.00 WT1 H ATOM 15540 H2 TIP3 4893 69.162 64.377 -10.823 1.00 0.00 WT1 H ATOM 15541 OH2 TIP3 4894 67.494 77.192 47.703 1.00 0.00 WT1 O ATOM 15542 H1 TIP3 4894 68.397 76.931 47.524 1.00 0.00 WT1 H ATOM 15543 H2 TIP3 4894 67.015 76.366 47.770 1.00 0.00 WT1 H ATOM 15544 OH2 TIP3 4895 47.489 32.701 55.238 1.00 0.00 WT1 O ATOM 15545 H1 TIP3 4895 46.670 33.196 55.223 1.00 0.00 WT1 H ATOM 15546 H2 TIP3 4895 48.136 33.298 54.862 1.00 0.00 WT1 H ATOM 15547 OH2 TIP3 4896 58.480 5.537 -10.564 1.00 0.00 WT1 O ATOM 15548 H1 TIP3 4896 59.292 5.053 -10.415 1.00 0.00 WT1 H ATOM 15549 H2 TIP3 4896 57.818 5.056 -10.067 1.00 0.00 WT1 H ATOM 15550 OH2 TIP3 4897 75.688 6.667 44.975 1.00 0.00 WT1 O ATOM 15551 H1 TIP3 4897 76.548 6.825 44.585 1.00 0.00 WT1 H ATOM 15552 H2 TIP3 4897 75.814 5.898 45.530 1.00 0.00 WT1 H ATOM 15553 OH2 TIP3 4898 33.110 47.430 55.109 1.00 0.00 WT1 O ATOM 15554 H1 TIP3 4898 32.794 47.876 55.895 1.00 0.00 WT1 H ATOM 15555 H2 TIP3 4898 33.916 47.891 54.879 1.00 0.00 WT1 H ATOM 15556 OH2 TIP3 4899 29.987 30.529 42.009 1.00 0.00 WT1 O ATOM 15557 H1 TIP3 4899 30.624 30.994 41.466 1.00 0.00 WT1 H ATOM 15558 H2 TIP3 4899 30.466 30.316 42.811 1.00 0.00 WT1 H ATOM 15559 OH2 TIP3 4900 47.453 69.358 4.722 1.00 0.00 WT1 O ATOM 15560 H1 TIP3 4900 47.529 68.431 4.947 1.00 0.00 WT1 H ATOM 15561 H2 TIP3 4900 47.806 69.819 5.482 1.00 0.00 WT1 H ATOM 15562 OH2 TIP3 4901 45.536 65.311 62.073 1.00 0.00 WT1 O ATOM 15563 H1 TIP3 4901 45.353 64.807 62.865 1.00 0.00 WT1 H ATOM 15564 H2 TIP3 4901 46.322 65.814 62.284 1.00 0.00 WT1 H ATOM 15565 OH2 TIP3 4902 78.045 55.099 13.439 1.00 0.00 WT1 O ATOM 15566 H1 TIP3 4902 78.703 55.781 13.309 1.00 0.00 WT1 H ATOM 15567 H2 TIP3 4902 77.689 55.272 14.311 1.00 0.00 WT1 H ATOM 15568 OH2 TIP3 4903 39.896 1.437 11.629 1.00 0.00 WT1 O ATOM 15569 H1 TIP3 4903 40.718 0.980 11.808 1.00 0.00 WT1 H ATOM 15570 H2 TIP3 4903 39.902 2.184 12.227 1.00 0.00 WT1 H ATOM 15571 OH2 TIP3 4904 35.899 74.019 5.497 1.00 0.00 WT1 O ATOM 15572 H1 TIP3 4904 35.657 73.534 6.286 1.00 0.00 WT1 H ATOM 15573 H2 TIP3 4904 36.852 74.098 5.547 1.00 0.00 WT1 H ATOM 15574 OH2 TIP3 4906 43.795 66.421 36.914 1.00 0.00 WT1 O ATOM 15575 H1 TIP3 4906 44.716 66.287 36.691 1.00 0.00 WT1 H ATOM 15576 H2 TIP3 4906 43.724 67.361 37.083 1.00 0.00 WT1 H ATOM 15577 OH2 TIP3 4908 53.019 13.032 -10.859 1.00 0.00 WT1 O ATOM 15578 H1 TIP3 4908 52.870 12.694 -9.977 1.00 0.00 WT1 H ATOM 15579 H2 TIP3 4908 52.445 12.508 -11.418 1.00 0.00 WT1 H ATOM 15580 OH2 TIP3 4909 80.198 68.011 38.317 1.00 0.00 WT1 O ATOM 15581 H1 TIP3 4909 79.373 68.494 38.367 1.00 0.00 WT1 H ATOM 15582 H2 TIP3 4909 80.687 68.442 37.616 1.00 0.00 WT1 H ATOM 15583 OH2 TIP3 4910 56.366 7.438 5.199 1.00 0.00 WT1 O ATOM 15584 H1 TIP3 4910 56.251 6.671 5.760 1.00 0.00 WT1 H ATOM 15585 H2 TIP3 4910 55.957 8.155 5.684 1.00 0.00 WT1 H ATOM 15586 OH2 TIP3 4911 64.220 29.903 60.127 1.00 0.00 WT1 O ATOM 15587 H1 TIP3 4911 63.917 29.424 60.898 1.00 0.00 WT1 H ATOM 15588 H2 TIP3 4911 64.197 30.822 60.391 1.00 0.00 WT1 H ATOM 15589 OH2 TIP3 4912 57.399 86.724 51.698 1.00 0.00 WT1 O ATOM 15590 H1 TIP3 4912 57.890 86.271 51.012 1.00 0.00 WT1 H ATOM 15591 H2 TIP3 4912 56.830 86.051 52.071 1.00 0.00 WT1 H ATOM 15592 OH2 TIP3 4913 54.454 12.027 0.403 1.00 0.00 WT1 O ATOM 15593 H1 TIP3 4913 55.329 12.415 0.396 1.00 0.00 WT1 H ATOM 15594 H2 TIP3 4913 54.446 11.467 1.180 1.00 0.00 WT1 H ATOM 15595 OH2 TIP3 4914 66.272 14.059 -16.937 1.00 0.00 WT1 O ATOM 15596 H1 TIP3 4914 66.007 14.954 -17.146 1.00 0.00 WT1 H ATOM 15597 H2 TIP3 4914 66.221 14.010 -15.983 1.00 0.00 WT1 H ATOM 15598 OH2 TIP3 4915 70.873 28.763 -11.984 1.00 0.00 WT1 O ATOM 15599 H1 TIP3 4915 70.822 28.504 -11.064 1.00 0.00 WT1 H ATOM 15600 H2 TIP3 4915 71.360 29.587 -11.974 1.00 0.00 WT1 H ATOM 15601 OH2 TIP3 4916 51.512 36.180 21.559 1.00 0.00 WT1 O ATOM 15602 H1 TIP3 4916 52.336 35.736 21.361 1.00 0.00 WT1 H ATOM 15603 H2 TIP3 4916 51.689 37.104 21.383 1.00 0.00 WT1 H ATOM 15604 OH2 TIP3 4917 46.416 82.132 9.118 1.00 0.00 WT1 O ATOM 15605 H1 TIP3 4917 47.160 81.724 8.676 1.00 0.00 WT1 H ATOM 15606 H2 TIP3 4917 46.641 82.099 10.048 1.00 0.00 WT1 H ATOM 15607 OH2 TIP3 4918 34.879 17.885 14.244 1.00 0.00 WT1 O ATOM 15608 H1 TIP3 4918 35.411 18.667 14.390 1.00 0.00 WT1 H ATOM 15609 H2 TIP3 4918 35.450 17.157 14.490 1.00 0.00 WT1 H ATOM 15610 OH2 TIP3 4919 86.631 88.719 -17.001 1.00 0.00 WT1 O ATOM 15611 H1 TIP3 4919 86.871 88.854 -16.084 1.00 0.00 WT1 H ATOM 15612 H2 TIP3 4919 86.140 87.897 -17.003 1.00 0.00 WT1 H ATOM 15613 OH2 TIP3 4920 79.525 42.889 12.009 1.00 0.00 WT1 O ATOM 15614 H1 TIP3 4920 80.069 43.365 11.381 1.00 0.00 WT1 H ATOM 15615 H2 TIP3 4920 80.093 42.192 12.339 1.00 0.00 WT1 H ATOM 15616 OH2 TIP3 4922 86.828 24.787 -0.416 1.00 0.00 WT1 O ATOM 15617 H1 TIP3 4922 85.953 24.486 -0.660 1.00 0.00 WT1 H ATOM 15618 H2 TIP3 4922 87.417 24.311 -1.001 1.00 0.00 WT1 H ATOM 15619 OH2 TIP3 4924 71.617 87.608 0.016 1.00 0.00 WT1 O ATOM 15620 H1 TIP3 4924 71.897 87.690 -0.896 1.00 0.00 WT1 H ATOM 15621 H2 TIP3 4924 72.163 88.235 0.492 1.00 0.00 WT1 H ATOM 15622 OH2 TIP3 4925 70.717 2.468 44.120 1.00 0.00 WT1 O ATOM 15623 H1 TIP3 4925 70.002 1.851 43.963 1.00 0.00 WT1 H ATOM 15624 H2 TIP3 4925 70.716 2.600 45.068 1.00 0.00 WT1 H ATOM 15625 OH2 TIP3 4926 58.596 32.777 -3.749 1.00 0.00 WT1 O ATOM 15626 H1 TIP3 4926 58.289 33.390 -3.081 1.00 0.00 WT1 H ATOM 15627 H2 TIP3 4926 59.445 32.475 -3.425 1.00 0.00 WT1 H ATOM 15628 OH2 TIP3 4927 40.790 7.431 -5.698 1.00 0.00 WT1 O ATOM 15629 H1 TIP3 4927 40.326 7.605 -4.879 1.00 0.00 WT1 H ATOM 15630 H2 TIP3 4927 40.972 8.298 -6.059 1.00 0.00 WT1 H ATOM 15631 OH2 TIP3 4928 88.530 52.057 24.254 1.00 0.00 WT1 O ATOM 15632 H1 TIP3 4928 88.002 51.345 23.893 1.00 0.00 WT1 H ATOM 15633 H2 TIP3 4928 87.907 52.771 24.393 1.00 0.00 WT1 H ATOM 15634 OH2 TIP3 4929 63.342 39.975 23.408 1.00 0.00 WT1 O ATOM 15635 H1 TIP3 4929 62.944 39.771 22.562 1.00 0.00 WT1 H ATOM 15636 H2 TIP3 4929 62.748 40.611 23.806 1.00 0.00 WT1 H ATOM 15637 OH2 TIP3 4930 41.023 90.954 0.434 1.00 0.00 WT1 O ATOM 15638 H1 TIP3 4930 40.848 90.022 0.568 1.00 0.00 WT1 H ATOM 15639 H2 TIP3 4930 41.881 91.097 0.832 1.00 0.00 WT1 H ATOM 15640 OH2 TIP3 4931 86.413 27.836 52.935 1.00 0.00 WT1 O ATOM 15641 H1 TIP3 4931 86.534 26.964 52.560 1.00 0.00 WT1 H ATOM 15642 H2 TIP3 4931 87.173 27.961 53.503 1.00 0.00 WT1 H ATOM 15643 OH2 TIP3 4932 35.829 49.669 46.780 1.00 0.00 WT1 O ATOM 15644 H1 TIP3 4932 35.500 49.931 47.640 1.00 0.00 WT1 H ATOM 15645 H2 TIP3 4932 36.538 50.285 46.597 1.00 0.00 WT1 H ATOM 15646 OH2 TIP3 4934 82.199 72.472 1.386 1.00 0.00 WT1 O ATOM 15647 H1 TIP3 4934 82.183 72.116 0.497 1.00 0.00 WT1 H ATOM 15648 H2 TIP3 4934 81.352 72.227 1.758 1.00 0.00 WT1 H ATOM 15649 OH2 TIP3 4935 43.142 47.009 1.131 1.00 0.00 WT1 O ATOM 15650 H1 TIP3 4935 43.659 47.520 1.754 1.00 0.00 WT1 H ATOM 15651 H2 TIP3 4935 42.235 47.257 1.311 1.00 0.00 WT1 H ATOM 15652 OH2 TIP3 4936 85.372 23.324 -7.040 1.00 0.00 WT1 O ATOM 15653 H1 TIP3 4936 85.702 23.968 -6.415 1.00 0.00 WT1 H ATOM 15654 H2 TIP3 4936 86.033 22.631 -7.043 1.00 0.00 WT1 H ATOM 15655 OH2 TIP3 4937 39.735 51.523 64.369 1.00 0.00 WT1 O ATOM 15656 H1 TIP3 4937 39.358 51.725 63.513 1.00 0.00 WT1 H ATOM 15657 H2 TIP3 4937 40.255 50.733 64.222 1.00 0.00 WT1 H ATOM 15658 OH2 TIP3 4938 74.540 90.826 54.498 1.00 0.00 WT1 O ATOM 15659 H1 TIP3 4938 75.061 91.548 54.849 1.00 0.00 WT1 H ATOM 15660 H2 TIP3 4938 74.160 90.407 55.270 1.00 0.00 WT1 H ATOM 15661 OH2 TIP3 4939 69.220 13.038 -2.562 1.00 0.00 WT1 O ATOM 15662 H1 TIP3 4939 69.954 12.461 -2.352 1.00 0.00 WT1 H ATOM 15663 H2 TIP3 4939 68.474 12.653 -2.102 1.00 0.00 WT1 H ATOM 15664 OH2 TIP3 4940 59.834 70.367 33.389 1.00 0.00 WT1 O ATOM 15665 H1 TIP3 4940 59.351 69.751 33.939 1.00 0.00 WT1 H ATOM 15666 H2 TIP3 4940 59.387 70.335 32.543 1.00 0.00 WT1 H ATOM 15667 OH2 TIP3 4941 84.531 26.205 48.334 1.00 0.00 WT1 O ATOM 15668 H1 TIP3 4941 84.139 26.869 47.767 1.00 0.00 WT1 H ATOM 15669 H2 TIP3 4941 85.451 26.461 48.402 1.00 0.00 WT1 H ATOM 15670 OH2 TIP3 4942 81.232 29.087 16.887 1.00 0.00 WT1 O ATOM 15671 H1 TIP3 4942 81.576 29.168 17.777 1.00 0.00 WT1 H ATOM 15672 H2 TIP3 4942 81.157 29.990 16.576 1.00 0.00 WT1 H ATOM 15673 OH2 TIP3 4943 22.070 63.562 65.008 1.00 0.00 WT1 O ATOM 15674 H1 TIP3 4943 22.570 64.218 64.522 1.00 0.00 WT1 H ATOM 15675 H2 TIP3 4943 21.348 64.052 65.400 1.00 0.00 WT1 H ATOM 15676 OH2 TIP3 4947 57.357 0.850 25.824 1.00 0.00 WT1 O ATOM 15677 H1 TIP3 4947 57.375 1.046 24.887 1.00 0.00 WT1 H ATOM 15678 H2 TIP3 4947 58.039 0.190 25.945 1.00 0.00 WT1 H ATOM 15679 OH2 TIP3 4948 43.190 26.188 27.054 1.00 0.00 WT1 O ATOM 15680 H1 TIP3 4948 42.728 26.243 27.890 1.00 0.00 WT1 H ATOM 15681 H2 TIP3 4948 42.588 26.580 26.421 1.00 0.00 WT1 H ATOM 15682 OH2 TIP3 4949 78.628 12.960 41.204 1.00 0.00 WT1 O ATOM 15683 H1 TIP3 4949 79.577 12.862 41.276 1.00 0.00 WT1 H ATOM 15684 H2 TIP3 4949 78.360 12.267 40.601 1.00 0.00 WT1 H ATOM 15685 OH2 TIP3 4950 86.499 63.356 47.809 1.00 0.00 WT1 O ATOM 15686 H1 TIP3 4950 87.191 64.010 47.711 1.00 0.00 WT1 H ATOM 15687 H2 TIP3 4950 86.922 62.524 47.597 1.00 0.00 WT1 H ATOM 15688 OH2 TIP3 4951 66.062 53.364 7.020 1.00 0.00 WT1 O ATOM 15689 H1 TIP3 4951 65.490 54.073 7.312 1.00 0.00 WT1 H ATOM 15690 H2 TIP3 4951 66.439 53.013 7.826 1.00 0.00 WT1 H ATOM 15691 OH2 TIP3 4952 58.182 67.577 -6.884 1.00 0.00 WT1 O ATOM 15692 H1 TIP3 4952 57.548 66.876 -7.035 1.00 0.00 WT1 H ATOM 15693 H2 TIP3 4952 57.847 68.041 -6.116 1.00 0.00 WT1 H ATOM 15694 OH2 TIP3 4953 85.753 75.238 -0.631 1.00 0.00 WT1 O ATOM 15695 H1 TIP3 4953 86.144 74.910 0.179 1.00 0.00 WT1 H ATOM 15696 H2 TIP3 4953 85.486 74.451 -1.105 1.00 0.00 WT1 H ATOM 15697 OH2 TIP3 4954 30.454 50.536 2.975 1.00 0.00 WT1 O ATOM 15698 H1 TIP3 4954 30.161 49.651 3.192 1.00 0.00 WT1 H ATOM 15699 H2 TIP3 4954 30.857 50.860 3.780 1.00 0.00 WT1 H ATOM 15700 OH2 TIP3 4955 42.912 80.620 -19.209 1.00 0.00 WT1 O ATOM 15701 H1 TIP3 4955 43.151 81.526 -19.009 1.00 0.00 WT1 H ATOM 15702 H2 TIP3 4955 42.376 80.344 -18.466 1.00 0.00 WT1 H ATOM 15703 OH2 TIP3 4956 83.384 34.633 -16.265 1.00 0.00 WT1 O ATOM 15704 H1 TIP3 4956 84.234 34.427 -16.656 1.00 0.00 WT1 H ATOM 15705 H2 TIP3 4956 83.281 35.575 -16.399 1.00 0.00 WT1 H ATOM 15706 OH2 TIP3 4957 89.074 48.012 -10.126 1.00 0.00 WT1 O ATOM 15707 H1 TIP3 4957 89.209 48.095 -9.182 1.00 0.00 WT1 H ATOM 15708 H2 TIP3 4957 89.027 47.068 -10.279 1.00 0.00 WT1 H ATOM 15709 OH2 TIP3 4958 49.816 83.007 51.586 1.00 0.00 WT1 O ATOM 15710 H1 TIP3 4958 49.015 82.932 51.066 1.00 0.00 WT1 H ATOM 15711 H2 TIP3 4958 50.437 82.419 51.156 1.00 0.00 WT1 H ATOM 15712 OH2 TIP3 4959 59.590 7.430 0.926 1.00 0.00 WT1 O ATOM 15713 H1 TIP3 4959 59.865 8.322 0.711 1.00 0.00 WT1 H ATOM 15714 H2 TIP3 4959 58.959 7.539 1.638 1.00 0.00 WT1 H ATOM 15715 OH2 TIP3 4960 47.719 63.635 -18.189 1.00 0.00 WT1 O ATOM 15716 H1 TIP3 4960 47.292 63.109 -18.865 1.00 0.00 WT1 H ATOM 15717 H2 TIP3 4960 47.138 64.386 -18.066 1.00 0.00 WT1 H ATOM 15718 OH2 TIP3 4962 33.758 9.380 -1.679 1.00 0.00 WT1 O ATOM 15719 H1 TIP3 4962 34.290 8.657 -1.347 1.00 0.00 WT1 H ATOM 15720 H2 TIP3 4962 32.941 9.324 -1.183 1.00 0.00 WT1 H ATOM 15721 OH2 TIP3 4963 61.396 2.305 7.265 1.00 0.00 WT1 O ATOM 15722 H1 TIP3 4963 60.481 2.562 7.146 1.00 0.00 WT1 H ATOM 15723 H2 TIP3 4963 61.378 1.348 7.264 1.00 0.00 WT1 H ATOM 15724 OH2 TIP3 4964 57.531 25.815 12.405 1.00 0.00 WT1 O ATOM 15725 H1 TIP3 4964 56.876 26.371 12.826 1.00 0.00 WT1 H ATOM 15726 H2 TIP3 4964 57.537 25.013 12.927 1.00 0.00 WT1 H ATOM 15727 OH2 TIP3 4965 31.278 17.091 25.712 1.00 0.00 WT1 O ATOM 15728 H1 TIP3 4965 32.167 16.882 26.000 1.00 0.00 WT1 H ATOM 15729 H2 TIP3 4965 30.943 17.687 26.382 1.00 0.00 WT1 H ATOM 15730 OH2 TIP3 4966 49.304 22.998 55.758 1.00 0.00 WT1 O ATOM 15731 H1 TIP3 4966 50.124 22.633 55.423 1.00 0.00 WT1 H ATOM 15732 H2 TIP3 4966 49.441 23.069 56.702 1.00 0.00 WT1 H ATOM 15733 OH2 TIP3 4967 41.997 82.446 1.339 1.00 0.00 WT1 O ATOM 15734 H1 TIP3 4967 42.775 81.896 1.243 1.00 0.00 WT1 H ATOM 15735 H2 TIP3 4967 42.234 83.271 0.916 1.00 0.00 WT1 H ATOM 15736 OH2 TIP3 4968 32.106 84.579 -3.702 1.00 0.00 WT1 O ATOM 15737 H1 TIP3 4968 32.665 84.865 -2.980 1.00 0.00 WT1 H ATOM 15738 H2 TIP3 4968 31.225 84.554 -3.329 1.00 0.00 WT1 H ATOM 15739 OH2 TIP3 4970 68.200 89.641 32.741 1.00 0.00 WT1 O ATOM 15740 H1 TIP3 4970 68.203 89.667 33.698 1.00 0.00 WT1 H ATOM 15741 H2 TIP3 4970 68.643 90.446 32.477 1.00 0.00 WT1 H ATOM 15742 OH2 TIP3 4971 39.809 54.933 4.086 1.00 0.00 WT1 O ATOM 15743 H1 TIP3 4971 39.762 55.543 4.822 1.00 0.00 WT1 H ATOM 15744 H2 TIP3 4971 39.481 54.105 4.438 1.00 0.00 WT1 H ATOM 15745 OH2 TIP3 4973 47.184 30.157 -14.880 1.00 0.00 WT1 O ATOM 15746 H1 TIP3 4973 47.717 30.869 -15.233 1.00 0.00 WT1 H ATOM 15747 H2 TIP3 4973 46.395 30.589 -14.551 1.00 0.00 WT1 H ATOM 15748 OH2 TIP3 4974 28.713 34.666 43.676 1.00 0.00 WT1 O ATOM 15749 H1 TIP3 4974 29.475 35.141 44.009 1.00 0.00 WT1 H ATOM 15750 H2 TIP3 4974 28.419 34.134 44.415 1.00 0.00 WT1 H ATOM 15751 OH2 TIP3 4975 29.707 44.250 45.349 1.00 0.00 WT1 O ATOM 15752 H1 TIP3 4975 29.251 44.090 46.175 1.00 0.00 WT1 H ATOM 15753 H2 TIP3 4975 30.421 43.613 45.341 1.00 0.00 WT1 H ATOM 15754 OH2 TIP3 4976 52.911 12.539 54.783 1.00 0.00 WT1 O ATOM 15755 H1 TIP3 4976 52.868 11.610 54.557 1.00 0.00 WT1 H ATOM 15756 H2 TIP3 4976 52.263 12.954 54.214 1.00 0.00 WT1 H ATOM 15757 OH2 TIP3 4977 73.438 94.172 54.944 1.00 0.00 WT1 O ATOM 15758 H1 TIP3 4977 73.014 93.322 54.825 1.00 0.00 WT1 H ATOM 15759 H2 TIP3 4977 74.372 93.992 54.841 1.00 0.00 WT1 H ATOM 15760 OH2 TIP3 4978 71.603 29.045 12.983 1.00 0.00 WT1 O ATOM 15761 H1 TIP3 4978 71.432 29.140 12.046 1.00 0.00 WT1 H ATOM 15762 H2 TIP3 4978 71.690 29.944 13.303 1.00 0.00 WT1 H ATOM 15763 OH2 TIP3 4979 53.804 52.360 -7.660 1.00 0.00 WT1 O ATOM 15764 H1 TIP3 4979 53.636 52.441 -6.721 1.00 0.00 WT1 H ATOM 15765 H2 TIP3 4979 53.260 53.039 -8.060 1.00 0.00 WT1 H ATOM 15766 OH2 TIP3 4980 52.124 37.035 -14.284 1.00 0.00 WT1 O ATOM 15767 H1 TIP3 4980 52.326 37.712 -14.929 1.00 0.00 WT1 H ATOM 15768 H2 TIP3 4980 51.746 37.512 -13.545 1.00 0.00 WT1 H ATOM 15769 OH2 TIP3 4981 29.369 44.660 -15.519 1.00 0.00 WT1 O ATOM 15770 H1 TIP3 4981 28.798 44.287 -16.190 1.00 0.00 WT1 H ATOM 15771 H2 TIP3 4981 28.804 44.762 -14.753 1.00 0.00 WT1 H ATOM 15772 OH2 TIP3 4982 79.525 4.941 -3.284 1.00 0.00 WT1 O ATOM 15773 H1 TIP3 4982 79.643 5.847 -3.571 1.00 0.00 WT1 H ATOM 15774 H2 TIP3 4982 79.326 5.008 -2.351 1.00 0.00 WT1 H ATOM 15775 OH2 TIP3 4983 36.698 5.253 58.067 1.00 0.00 WT1 O ATOM 15776 H1 TIP3 4983 37.227 4.598 57.610 1.00 0.00 WT1 H ATOM 15777 H2 TIP3 4983 37.337 5.868 58.428 1.00 0.00 WT1 H ATOM 15778 OH2 TIP3 4984 55.526 6.829 35.385 1.00 0.00 WT1 O ATOM 15779 H1 TIP3 4984 56.191 7.287 34.872 1.00 0.00 WT1 H ATOM 15780 H2 TIP3 4984 56.018 6.383 36.074 1.00 0.00 WT1 H ATOM 15781 OH2 TIP3 4985 87.461 77.648 26.825 1.00 0.00 WT1 O ATOM 15782 H1 TIP3 4985 88.092 78.070 27.407 1.00 0.00 WT1 H ATOM 15783 H2 TIP3 4985 86.966 77.059 27.394 1.00 0.00 WT1 H ATOM 15784 OH2 TIP3 4986 49.987 35.712 4.910 1.00 0.00 WT1 O ATOM 15785 H1 TIP3 4986 49.530 36.108 5.652 1.00 0.00 WT1 H ATOM 15786 H2 TIP3 4986 50.881 35.574 5.224 1.00 0.00 WT1 H ATOM 15787 OH2 TIP3 4988 26.994 71.913 59.856 1.00 0.00 WT1 O ATOM 15788 H1 TIP3 4988 26.921 72.492 60.615 1.00 0.00 WT1 H ATOM 15789 H2 TIP3 4988 27.699 72.291 59.332 1.00 0.00 WT1 H ATOM 15790 OH2 TIP3 4991 71.214 11.042 -2.336 1.00 0.00 WT1 O ATOM 15791 H1 TIP3 4991 71.416 10.135 -2.565 1.00 0.00 WT1 H ATOM 15792 H2 TIP3 4991 71.997 11.533 -2.584 1.00 0.00 WT1 H ATOM 15793 OH2 TIP3 4992 81.733 70.460 -13.649 1.00 0.00 WT1 O ATOM 15794 H1 TIP3 4992 82.335 70.628 -12.924 1.00 0.00 WT1 H ATOM 15795 H2 TIP3 4992 81.683 71.293 -14.118 1.00 0.00 WT1 H ATOM 15796 OH2 TIP3 4993 49.752 9.515 10.561 1.00 0.00 WT1 O ATOM 15797 H1 TIP3 4993 49.679 10.388 10.948 1.00 0.00 WT1 H ATOM 15798 H2 TIP3 4993 50.646 9.238 10.759 1.00 0.00 WT1 H ATOM 15799 OH2 TIP3 4994 48.541 4.601 35.058 1.00 0.00 WT1 O ATOM 15800 H1 TIP3 4994 48.075 4.144 35.759 1.00 0.00 WT1 H ATOM 15801 H2 TIP3 4994 49.239 3.998 34.802 1.00 0.00 WT1 H ATOM 15802 OH2 TIP3 4995 53.758 45.124 65.771 1.00 0.00 WT1 O ATOM 15803 H1 TIP3 4995 53.987 45.364 66.669 1.00 0.00 WT1 H ATOM 15804 H2 TIP3 4995 52.860 45.436 65.661 1.00 0.00 WT1 H ATOM 15805 OH2 TIP3 4996 63.043 77.957 51.685 1.00 0.00 WT1 O ATOM 15806 H1 TIP3 4996 62.758 78.047 50.776 1.00 0.00 WT1 H ATOM 15807 H2 TIP3 4996 62.539 77.216 52.022 1.00 0.00 WT1 H ATOM 15808 OH2 TIP3 4997 83.587 25.917 36.632 1.00 0.00 WT1 O ATOM 15809 H1 TIP3 4997 83.857 25.436 35.850 1.00 0.00 WT1 H ATOM 15810 H2 TIP3 4997 83.488 25.244 37.306 1.00 0.00 WT1 H ATOM 15811 OH2 TIP3 4998 77.600 34.381 -13.747 1.00 0.00 WT1 O ATOM 15812 H1 TIP3 4998 78.505 34.694 -13.765 1.00 0.00 WT1 H ATOM 15813 H2 TIP3 4998 77.103 35.059 -14.205 1.00 0.00 WT1 H ATOM 15814 OH2 TIP3 4999 57.027 90.128 10.610 1.00 0.00 WT1 O ATOM 15815 H1 TIP3 4999 56.193 89.790 10.284 1.00 0.00 WT1 H ATOM 15816 H2 TIP3 4999 56.906 90.191 11.557 1.00 0.00 WT1 H ATOM 15817 OH2 TIP3 5000 26.849 95.346 3.668 1.00 0.00 WT1 O ATOM 15818 H1 TIP3 5000 27.371 95.561 2.896 1.00 0.00 WT1 H ATOM 15819 H2 TIP3 5000 27.495 95.155 4.349 1.00 0.00 WT1 H ATOM 15820 OH2 TIP3 5001 63.760 3.314 -18.581 1.00 0.00 WT1 O ATOM 15821 H1 TIP3 5001 64.606 3.653 -18.874 1.00 0.00 WT1 H ATOM 15822 H2 TIP3 5001 63.174 3.457 -19.323 1.00 0.00 WT1 H ATOM 15823 OH2 TIP3 5002 87.028 27.499 2.279 1.00 0.00 WT1 O ATOM 15824 H1 TIP3 5002 86.260 27.803 1.795 1.00 0.00 WT1 H ATOM 15825 H2 TIP3 5002 86.720 27.403 3.180 1.00 0.00 WT1 H ATOM 15826 OH2 TIP3 5003 74.757 3.249 55.060 1.00 0.00 WT1 O ATOM 15827 H1 TIP3 5003 75.332 3.912 55.443 1.00 0.00 WT1 H ATOM 15828 H2 TIP3 5003 74.475 3.629 54.228 1.00 0.00 WT1 H ATOM 15829 OH2 TIP3 5004 58.580 29.456 13.087 1.00 0.00 WT1 O ATOM 15830 H1 TIP3 5004 58.091 29.371 13.905 1.00 0.00 WT1 H ATOM 15831 H2 TIP3 5004 57.910 29.432 12.403 1.00 0.00 WT1 H ATOM 15832 OH2 TIP3 5005 59.939 90.004 56.934 1.00 0.00 WT1 O ATOM 15833 H1 TIP3 5005 59.816 89.558 56.096 1.00 0.00 WT1 H ATOM 15834 H2 TIP3 5005 60.878 89.933 57.107 1.00 0.00 WT1 H ATOM 15835 OH2 TIP3 5007 45.086 31.709 -0.150 1.00 0.00 WT1 O ATOM 15836 H1 TIP3 5007 45.410 32.536 -0.507 1.00 0.00 WT1 H ATOM 15837 H2 TIP3 5007 45.325 31.737 0.776 1.00 0.00 WT1 H ATOM 15838 OH2 TIP3 5008 61.469 35.929 -3.513 1.00 0.00 WT1 O ATOM 15839 H1 TIP3 5008 60.577 35.783 -3.200 1.00 0.00 WT1 H ATOM 15840 H2 TIP3 5008 61.488 35.528 -4.382 1.00 0.00 WT1 H ATOM 15841 OH2 TIP3 5009 54.760 7.395 66.481 1.00 0.00 WT1 O ATOM 15842 H1 TIP3 5009 54.476 6.481 66.503 1.00 0.00 WT1 H ATOM 15843 H2 TIP3 5009 55.714 7.351 66.551 1.00 0.00 WT1 H ATOM 15844 OH2 TIP3 5010 82.449 33.858 11.719 1.00 0.00 WT1 O ATOM 15845 H1 TIP3 5010 82.662 33.019 11.309 1.00 0.00 WT1 H ATOM 15846 H2 TIP3 5010 83.186 34.032 12.305 1.00 0.00 WT1 H ATOM 15847 OH2 TIP3 5011 64.049 4.613 35.183 1.00 0.00 WT1 O ATOM 15848 H1 TIP3 5011 63.294 5.014 35.613 1.00 0.00 WT1 H ATOM 15849 H2 TIP3 5011 64.182 5.138 34.393 1.00 0.00 WT1 H ATOM 15850 OH2 TIP3 5013 61.746 22.419 1.521 1.00 0.00 WT1 O ATOM 15851 H1 TIP3 5013 62.374 23.056 1.180 1.00 0.00 WT1 H ATOM 15852 H2 TIP3 5013 60.911 22.887 1.534 1.00 0.00 WT1 H ATOM 15853 OH2 TIP3 5014 55.361 19.949 11.835 1.00 0.00 WT1 O ATOM 15854 H1 TIP3 5014 54.606 20.153 12.388 1.00 0.00 WT1 H ATOM 15855 H2 TIP3 5014 55.495 19.008 11.950 1.00 0.00 WT1 H ATOM 15856 OH2 TIP3 5015 34.996 91.730 59.938 1.00 0.00 WT1 O ATOM 15857 H1 TIP3 5015 35.806 91.593 60.429 1.00 0.00 WT1 H ATOM 15858 H2 TIP3 5015 34.680 90.847 59.745 1.00 0.00 WT1 H ATOM 15859 OH2 TIP3 5016 56.621 91.237 43.116 1.00 0.00 WT1 O ATOM 15860 H1 TIP3 5016 55.722 91.558 43.051 1.00 0.00 WT1 H ATOM 15861 H2 TIP3 5016 56.975 91.334 42.232 1.00 0.00 WT1 H ATOM 15862 OH2 TIP3 5017 72.773 94.872 27.001 1.00 0.00 WT1 O ATOM 15863 H1 TIP3 5017 72.796 94.634 26.074 1.00 0.00 WT1 H ATOM 15864 H2 TIP3 5017 71.901 94.611 27.295 1.00 0.00 WT1 H ATOM 15865 OH2 TIP3 5018 30.371 88.250 -1.781 1.00 0.00 WT1 O ATOM 15866 H1 TIP3 5018 30.811 88.324 -0.934 1.00 0.00 WT1 H ATOM 15867 H2 TIP3 5018 31.076 88.073 -2.403 1.00 0.00 WT1 H ATOM 15868 OH2 TIP3 5019 25.663 23.723 -18.263 1.00 0.00 WT1 O ATOM 15869 H1 TIP3 5019 26.006 24.398 -18.850 1.00 0.00 WT1 H ATOM 15870 H2 TIP3 5019 25.612 24.151 -17.409 1.00 0.00 WT1 H ATOM 15871 OH2 TIP3 5020 41.785 7.082 45.106 1.00 0.00 WT1 O ATOM 15872 H1 TIP3 5020 42.418 7.742 44.822 1.00 0.00 WT1 H ATOM 15873 H2 TIP3 5020 40.954 7.553 45.157 1.00 0.00 WT1 H ATOM 15874 OH2 TIP3 5021 25.810 6.707 -14.539 1.00 0.00 WT1 O ATOM 15875 H1 TIP3 5021 26.618 6.799 -14.033 1.00 0.00 WT1 H ATOM 15876 H2 TIP3 5021 25.647 5.764 -14.560 1.00 0.00 WT1 H ATOM 15877 OH2 TIP3 5022 89.070 52.288 0.625 1.00 0.00 WT1 O ATOM 15878 H1 TIP3 5022 89.237 53.171 0.295 1.00 0.00 WT1 H ATOM 15879 H2 TIP3 5022 88.477 52.416 1.366 1.00 0.00 WT1 H ATOM 15880 OH2 TIP3 5023 89.734 68.487 -10.379 1.00 0.00 WT1 O ATOM 15881 H1 TIP3 5023 90.155 67.628 -10.337 1.00 0.00 WT1 H ATOM 15882 H2 TIP3 5023 89.741 68.802 -9.475 1.00 0.00 WT1 H ATOM 15883 OH2 TIP3 5024 23.248 65.936 63.856 1.00 0.00 WT1 O ATOM 15884 H1 TIP3 5024 23.944 65.772 64.492 1.00 0.00 WT1 H ATOM 15885 H2 TIP3 5024 23.488 65.409 63.094 1.00 0.00 WT1 H ATOM 15886 OH2 TIP3 5025 43.533 93.440 17.119 1.00 0.00 WT1 O ATOM 15887 H1 TIP3 5025 44.062 92.764 16.696 1.00 0.00 WT1 H ATOM 15888 H2 TIP3 5025 42.637 93.108 17.071 1.00 0.00 WT1 H ATOM 15889 OH2 TIP3 5031 20.463 30.493 32.860 1.00 0.00 WT1 O ATOM 15890 H1 TIP3 5031 21.014 29.750 32.614 1.00 0.00 WT1 H ATOM 15891 H2 TIP3 5031 19.843 30.582 32.136 1.00 0.00 WT1 H ATOM 15892 OH2 TIP3 5033 39.006 28.908 53.366 1.00 0.00 WT1 O ATOM 15893 H1 TIP3 5033 38.380 28.209 53.178 1.00 0.00 WT1 H ATOM 15894 H2 TIP3 5033 39.771 28.455 53.721 1.00 0.00 WT1 H ATOM 15895 OH2 TIP3 5035 60.419 26.913 -16.115 1.00 0.00 WT1 O ATOM 15896 H1 TIP3 5035 61.085 27.009 -15.434 1.00 0.00 WT1 H ATOM 15897 H2 TIP3 5035 59.706 27.488 -15.837 1.00 0.00 WT1 H ATOM 15898 OH2 TIP3 5038 61.977 26.676 23.129 1.00 0.00 WT1 O ATOM 15899 H1 TIP3 5038 62.432 25.834 23.111 1.00 0.00 WT1 H ATOM 15900 H2 TIP3 5038 61.147 26.491 23.569 1.00 0.00 WT1 H ATOM 15901 OH2 TIP3 5039 70.263 48.077 29.101 1.00 0.00 WT1 O ATOM 15902 H1 TIP3 5039 69.547 48.183 28.475 1.00 0.00 WT1 H ATOM 15903 H2 TIP3 5039 70.117 48.764 29.751 1.00 0.00 WT1 H ATOM 15904 OH2 TIP3 5040 79.130 40.819 -14.504 1.00 0.00 WT1 O ATOM 15905 H1 TIP3 5040 78.872 41.568 -15.041 1.00 0.00 WT1 H ATOM 15906 H2 TIP3 5040 79.068 41.137 -13.603 1.00 0.00 WT1 H ATOM 15907 OH2 TIP3 5041 78.644 92.527 38.723 1.00 0.00 WT1 O ATOM 15908 H1 TIP3 5041 79.193 91.882 38.278 1.00 0.00 WT1 H ATOM 15909 H2 TIP3 5041 77.774 92.406 38.341 1.00 0.00 WT1 H ATOM 15910 OH2 TIP3 5043 47.146 37.729 42.440 1.00 0.00 WT1 O ATOM 15911 H1 TIP3 5043 46.575 38.059 43.134 1.00 0.00 WT1 H ATOM 15912 H2 TIP3 5043 46.550 37.507 41.725 1.00 0.00 WT1 H ATOM 15913 OH2 TIP3 5044 26.118 13.522 44.640 1.00 0.00 WT1 O ATOM 15914 H1 TIP3 5044 26.633 12.716 44.598 1.00 0.00 WT1 H ATOM 15915 H2 TIP3 5044 26.712 14.167 45.024 1.00 0.00 WT1 H ATOM 15916 OH2 TIP3 5045 48.853 47.469 -5.852 1.00 0.00 WT1 O ATOM 15917 H1 TIP3 5045 49.541 47.973 -5.417 1.00 0.00 WT1 H ATOM 15918 H2 TIP3 5045 48.056 47.683 -5.367 1.00 0.00 WT1 H ATOM 15919 OH2 TIP3 5046 62.521 27.711 6.017 1.00 0.00 WT1 O ATOM 15920 H1 TIP3 5046 61.993 27.307 6.705 1.00 0.00 WT1 H ATOM 15921 H2 TIP3 5046 62.555 27.052 5.322 1.00 0.00 WT1 H ATOM 15922 OH2 TIP3 5047 58.599 13.750 22.708 1.00 0.00 WT1 O ATOM 15923 H1 TIP3 5047 59.190 13.628 21.964 1.00 0.00 WT1 H ATOM 15924 H2 TIP3 5047 59.109 14.259 23.338 1.00 0.00 WT1 H ATOM 15925 OH2 TIP3 5048 69.787 77.819 58.591 1.00 0.00 WT1 O ATOM 15926 H1 TIP3 5048 69.341 78.189 57.829 1.00 0.00 WT1 H ATOM 15927 H2 TIP3 5048 70.571 77.404 58.232 1.00 0.00 WT1 H ATOM 15928 OH2 TIP3 5049 55.441 8.955 15.203 1.00 0.00 WT1 O ATOM 15929 H1 TIP3 5049 55.987 9.731 15.079 1.00 0.00 WT1 H ATOM 15930 H2 TIP3 5049 55.421 8.536 14.342 1.00 0.00 WT1 H ATOM 15931 OH2 TIP3 5050 64.527 6.325 21.705 1.00 0.00 WT1 O ATOM 15932 H1 TIP3 5050 64.341 6.501 22.628 1.00 0.00 WT1 H ATOM 15933 H2 TIP3 5050 64.317 7.145 21.258 1.00 0.00 WT1 H ATOM 15934 OH2 TIP3 5051 63.714 59.517 43.676 1.00 0.00 WT1 O ATOM 15935 H1 TIP3 5051 62.856 59.403 43.268 1.00 0.00 WT1 H ATOM 15936 H2 TIP3 5051 63.696 58.939 44.439 1.00 0.00 WT1 H ATOM 15937 OH2 TIP3 5055 23.518 58.154 34.232 1.00 0.00 WT1 O ATOM 15938 H1 TIP3 5055 24.374 58.413 34.575 1.00 0.00 WT1 H ATOM 15939 H2 TIP3 5055 23.638 58.126 33.283 1.00 0.00 WT1 H ATOM 15940 OH2 TIP3 5056 36.284 51.897 6.006 1.00 0.00 WT1 O ATOM 15941 H1 TIP3 5056 36.581 52.301 6.821 1.00 0.00 WT1 H ATOM 15942 H2 TIP3 5056 36.082 52.636 5.432 1.00 0.00 WT1 H ATOM 15943 OH2 TIP3 5057 69.572 29.401 23.343 1.00 0.00 WT1 O ATOM 15944 H1 TIP3 5057 69.502 29.478 22.391 1.00 0.00 WT1 H ATOM 15945 H2 TIP3 5057 70.512 29.442 23.519 1.00 0.00 WT1 H ATOM 15946 OH2 TIP3 5058 69.121 9.076 59.249 1.00 0.00 WT1 O ATOM 15947 H1 TIP3 5058 68.492 8.447 59.603 1.00 0.00 WT1 H ATOM 15948 H2 TIP3 5058 69.502 9.495 60.020 1.00 0.00 WT1 H ATOM 15949 OH2 TIP3 5059 73.586 25.169 29.886 1.00 0.00 WT1 O ATOM 15950 H1 TIP3 5059 73.131 25.910 30.286 1.00 0.00 WT1 H ATOM 15951 H2 TIP3 5059 74.453 25.172 30.292 1.00 0.00 WT1 H ATOM 15952 OH2 TIP3 5060 81.187 84.161 -14.914 1.00 0.00 WT1 O ATOM 15953 H1 TIP3 5060 80.960 84.509 -14.052 1.00 0.00 WT1 H ATOM 15954 H2 TIP3 5060 82.014 83.699 -14.776 1.00 0.00 WT1 H ATOM 15955 OH2 TIP3 5061 74.870 20.761 64.808 1.00 0.00 WT1 O ATOM 15956 H1 TIP3 5061 75.658 21.105 64.388 1.00 0.00 WT1 H ATOM 15957 H2 TIP3 5061 75.114 19.881 65.092 1.00 0.00 WT1 H ATOM 15958 OH2 TIP3 5062 40.981 27.135 25.365 1.00 0.00 WT1 O ATOM 15959 H1 TIP3 5062 40.347 27.523 25.968 1.00 0.00 WT1 H ATOM 15960 H2 TIP3 5062 40.452 26.605 24.769 1.00 0.00 WT1 H ATOM 15961 OH2 TIP3 5063 83.667 42.708 27.566 1.00 0.00 WT1 O ATOM 15962 H1 TIP3 5063 83.548 43.576 27.952 1.00 0.00 WT1 H ATOM 15963 H2 TIP3 5063 82.784 42.340 27.525 1.00 0.00 WT1 H ATOM 15964 OH2 TIP3 5064 55.910 80.786 -12.308 1.00 0.00 WT1 O ATOM 15965 H1 TIP3 5064 55.811 79.834 -12.313 1.00 0.00 WT1 H ATOM 15966 H2 TIP3 5064 55.142 81.109 -12.780 1.00 0.00 WT1 H ATOM 15967 OH2 TIP3 5065 44.550 76.659 15.472 1.00 0.00 WT1 O ATOM 15968 H1 TIP3 5065 45.441 76.439 15.200 1.00 0.00 WT1 H ATOM 15969 H2 TIP3 5065 44.064 75.840 15.387 1.00 0.00 WT1 H ATOM 15970 OH2 TIP3 5066 81.231 19.184 -16.591 1.00 0.00 WT1 O ATOM 15971 H1 TIP3 5066 81.202 19.109 -15.637 1.00 0.00 WT1 H ATOM 15972 H2 TIP3 5066 80.905 18.342 -16.908 1.00 0.00 WT1 H ATOM 15973 OH2 TIP3 5067 51.785 95.143 -18.294 1.00 0.00 WT1 O ATOM 15974 H1 TIP3 5067 51.855 94.553 -17.543 1.00 0.00 WT1 H ATOM 15975 H2 TIP3 5067 52.149 95.971 -17.983 1.00 0.00 WT1 H ATOM 15976 OH2 TIP3 5068 73.580 13.380 9.161 1.00 0.00 WT1 O ATOM 15977 H1 TIP3 5068 74.152 13.177 9.902 1.00 0.00 WT1 H ATOM 15978 H2 TIP3 5068 74.177 13.663 8.468 1.00 0.00 WT1 H ATOM 15979 OH2 TIP3 5069 25.972 1.027 5.772 1.00 0.00 WT1 O ATOM 15980 H1 TIP3 5069 25.052 1.258 5.642 1.00 0.00 WT1 H ATOM 15981 H2 TIP3 5069 26.184 0.460 5.031 1.00 0.00 WT1 H ATOM 15982 OH2 TIP3 5070 32.588 48.848 25.567 1.00 0.00 WT1 O ATOM 15983 H1 TIP3 5070 33.020 49.279 24.829 1.00 0.00 WT1 H ATOM 15984 H2 TIP3 5070 32.487 49.539 26.222 1.00 0.00 WT1 H ATOM 15985 OH2 TIP3 5072 52.963 59.960 50.291 1.00 0.00 WT1 O ATOM 15986 H1 TIP3 5072 53.167 60.888 50.171 1.00 0.00 WT1 H ATOM 15987 H2 TIP3 5072 53.346 59.529 49.527 1.00 0.00 WT1 H ATOM 15988 OH2 TIP3 5073 29.664 18.332 5.705 1.00 0.00 WT1 O ATOM 15989 H1 TIP3 5073 30.564 18.654 5.659 1.00 0.00 WT1 H ATOM 15990 H2 TIP3 5073 29.143 19.107 5.918 1.00 0.00 WT1 H ATOM 15991 OH2 TIP3 5074 42.844 1.020 53.222 1.00 0.00 WT1 O ATOM 15992 H1 TIP3 5074 43.658 0.956 53.722 1.00 0.00 WT1 H ATOM 15993 H2 TIP3 5074 42.863 0.264 52.636 1.00 0.00 WT1 H ATOM 15994 OH2 TIP3 5075 80.653 22.286 -9.814 1.00 0.00 WT1 O ATOM 15995 H1 TIP3 5075 81.071 23.087 -10.129 1.00 0.00 WT1 H ATOM 15996 H2 TIP3 5075 80.721 22.339 -8.860 1.00 0.00 WT1 H ATOM 15997 OH2 TIP3 5076 43.441 84.827 0.762 1.00 0.00 WT1 O ATOM 15998 H1 TIP3 5076 44.397 84.840 0.717 1.00 0.00 WT1 H ATOM 15999 H2 TIP3 5076 43.241 85.064 1.668 1.00 0.00 WT1 H ATOM 16000 OH2 TIP3 5077 72.622 15.808 -19.240 1.00 0.00 WT1 O ATOM 16001 H1 TIP3 5077 71.766 16.210 -19.389 1.00 0.00 WT1 H ATOM 16002 H2 TIP3 5077 72.885 15.478 -20.100 1.00 0.00 WT1 H ATOM 16003 OH2 TIP3 5078 78.966 8.810 -12.317 1.00 0.00 WT1 O ATOM 16004 H1 TIP3 5078 79.678 8.585 -11.718 1.00 0.00 WT1 H ATOM 16005 H2 TIP3 5078 78.740 9.712 -12.092 1.00 0.00 WT1 H ATOM 16006 OH2 TIP3 5080 35.145 51.239 58.497 1.00 0.00 WT1 O ATOM 16007 H1 TIP3 5080 34.621 50.834 59.188 1.00 0.00 WT1 H ATOM 16008 H2 TIP3 5080 34.601 51.957 58.173 1.00 0.00 WT1 H ATOM 16009 OH2 TIP3 5081 20.722 82.590 53.003 1.00 0.00 WT1 O ATOM 16010 H1 TIP3 5081 19.864 82.828 53.354 1.00 0.00 WT1 H ATOM 16011 H2 TIP3 5081 20.812 83.118 52.210 1.00 0.00 WT1 H ATOM 16012 OH2 TIP3 5082 58.436 35.413 36.669 1.00 0.00 WT1 O ATOM 16013 H1 TIP3 5082 57.483 35.456 36.592 1.00 0.00 WT1 H ATOM 16014 H2 TIP3 5082 58.597 34.658 37.235 1.00 0.00 WT1 H ATOM 16015 OH2 TIP3 5084 63.734 34.447 -18.808 1.00 0.00 WT1 O ATOM 16016 H1 TIP3 5084 63.278 33.610 -18.729 1.00 0.00 WT1 H ATOM 16017 H2 TIP3 5084 63.655 34.677 -19.734 1.00 0.00 WT1 H ATOM 16018 OH2 TIP3 5085 76.854 71.990 41.283 1.00 0.00 WT1 O ATOM 16019 H1 TIP3 5085 77.057 72.264 40.389 1.00 0.00 WT1 H ATOM 16020 H2 TIP3 5085 77.016 71.046 41.287 1.00 0.00 WT1 H ATOM 16021 OH2 TIP3 5088 79.915 80.887 -5.857 1.00 0.00 WT1 O ATOM 16022 H1 TIP3 5088 79.411 80.294 -6.415 1.00 0.00 WT1 H ATOM 16023 H2 TIP3 5088 79.260 81.305 -5.298 1.00 0.00 WT1 H ATOM 16024 OH2 TIP3 5090 22.245 54.193 -13.446 1.00 0.00 WT1 O ATOM 16025 H1 TIP3 5090 22.524 53.334 -13.763 1.00 0.00 WT1 H ATOM 16026 H2 TIP3 5090 22.515 54.209 -12.528 1.00 0.00 WT1 H ATOM 16027 OH2 TIP3 5091 86.372 68.911 3.598 1.00 0.00 WT1 O ATOM 16028 H1 TIP3 5091 86.354 67.977 3.808 1.00 0.00 WT1 H ATOM 16029 H2 TIP3 5091 87.014 68.985 2.892 1.00 0.00 WT1 H ATOM 16030 OH2 TIP3 5092 70.707 31.967 16.828 1.00 0.00 WT1 O ATOM 16031 H1 TIP3 5092 70.783 32.450 17.651 1.00 0.00 WT1 H ATOM 16032 H2 TIP3 5092 70.375 31.107 17.084 1.00 0.00 WT1 H ATOM 16033 OH2 TIP3 5093 41.957 93.999 12.215 1.00 0.00 WT1 O ATOM 16034 H1 TIP3 5093 41.382 93.863 11.461 1.00 0.00 WT1 H ATOM 16035 H2 TIP3 5093 42.723 93.455 12.034 1.00 0.00 WT1 H ATOM 16036 OH2 TIP3 5096 68.816 34.873 24.291 1.00 0.00 WT1 O ATOM 16037 H1 TIP3 5096 69.005 35.633 24.841 1.00 0.00 WT1 H ATOM 16038 H2 TIP3 5096 68.331 35.230 23.546 1.00 0.00 WT1 H ATOM 16039 OH2 TIP3 5097 29.260 51.937 1.064 1.00 0.00 WT1 O ATOM 16040 H1 TIP3 5097 29.303 51.463 0.233 1.00 0.00 WT1 H ATOM 16041 H2 TIP3 5097 29.717 51.372 1.687 1.00 0.00 WT1 H ATOM 16042 OH2 TIP3 5103 45.253 39.589 64.853 1.00 0.00 WT1 O ATOM 16043 H1 TIP3 5103 44.673 40.072 64.264 1.00 0.00 WT1 H ATOM 16044 H2 TIP3 5103 46.022 39.389 64.320 1.00 0.00 WT1 H ATOM 16045 OH2 TIP3 5104 36.940 11.775 20.131 1.00 0.00 WT1 O ATOM 16046 H1 TIP3 5104 36.102 12.236 20.091 1.00 0.00 WT1 H ATOM 16047 H2 TIP3 5104 37.598 12.466 20.058 1.00 0.00 WT1 H ATOM 16048 OH2 TIP3 5106 50.231 59.833 -9.794 1.00 0.00 WT1 O ATOM 16049 H1 TIP3 5106 50.435 60.345 -9.012 1.00 0.00 WT1 H ATOM 16050 H2 TIP3 5106 50.184 58.929 -9.484 1.00 0.00 WT1 H ATOM 16051 OH2 TIP3 5108 89.745 38.158 29.253 1.00 0.00 WT1 O ATOM 16052 H1 TIP3 5108 89.583 37.820 28.373 1.00 0.00 WT1 H ATOM 16053 H2 TIP3 5108 90.378 38.864 29.126 1.00 0.00 WT1 H ATOM 16054 OH2 TIP3 5109 58.210 91.005 66.117 1.00 0.00 WT1 O ATOM 16055 H1 TIP3 5109 59.026 91.334 65.741 1.00 0.00 WT1 H ATOM 16056 H2 TIP3 5109 58.483 90.299 66.703 1.00 0.00 WT1 H ATOM 16057 OH2 TIP3 5110 81.547 15.984 50.153 1.00 0.00 WT1 O ATOM 16058 H1 TIP3 5110 81.332 15.059 50.035 1.00 0.00 WT1 H ATOM 16059 H2 TIP3 5110 80.778 16.453 49.826 1.00 0.00 WT1 H ATOM 16060 OH2 TIP3 5111 58.503 63.821 -5.672 1.00 0.00 WT1 O ATOM 16061 H1 TIP3 5111 59.009 63.559 -4.902 1.00 0.00 WT1 H ATOM 16062 H2 TIP3 5111 57.590 63.758 -5.391 1.00 0.00 WT1 H ATOM 16063 OH2 TIP3 5114 65.495 78.316 64.573 1.00 0.00 WT1 O ATOM 16064 H1 TIP3 5114 65.691 77.837 63.768 1.00 0.00 WT1 H ATOM 16065 H2 TIP3 5114 65.676 79.231 64.358 1.00 0.00 WT1 H ATOM 16066 OH2 TIP3 5116 71.510 47.087 11.533 1.00 0.00 WT1 O ATOM 16067 H1 TIP3 5116 72.390 46.717 11.606 1.00 0.00 WT1 H ATOM 16068 H2 TIP3 5116 71.325 47.441 12.402 1.00 0.00 WT1 H ATOM 16069 OH2 TIP3 5117 23.847 77.866 37.134 1.00 0.00 WT1 O ATOM 16070 H1 TIP3 5117 23.893 76.982 36.771 1.00 0.00 WT1 H ATOM 16071 H2 TIP3 5117 23.612 78.419 36.389 1.00 0.00 WT1 H ATOM 16072 OH2 TIP3 5122 42.684 42.179 65.138 1.00 0.00 WT1 O ATOM 16073 H1 TIP3 5122 43.310 42.073 65.854 1.00 0.00 WT1 H ATOM 16074 H2 TIP3 5122 42.163 42.943 65.385 1.00 0.00 WT1 H ATOM 16075 OH2 TIP3 5124 33.939 36.901 -11.907 1.00 0.00 WT1 O ATOM 16076 H1 TIP3 5124 34.465 37.324 -12.586 1.00 0.00 WT1 H ATOM 16077 H2 TIP3 5124 34.581 36.500 -11.321 1.00 0.00 WT1 H ATOM 16078 OH2 TIP3 5125 26.956 55.915 53.477 1.00 0.00 WT1 O ATOM 16079 H1 TIP3 5125 27.310 55.570 54.296 1.00 0.00 WT1 H ATOM 16080 H2 TIP3 5125 27.486 56.691 53.295 1.00 0.00 WT1 H ATOM 16081 OH2 TIP3 5126 73.716 22.618 -12.867 1.00 0.00 WT1 O ATOM 16082 H1 TIP3 5126 74.262 21.944 -13.273 1.00 0.00 WT1 H ATOM 16083 H2 TIP3 5126 72.841 22.463 -13.223 1.00 0.00 WT1 H ATOM 16084 OH2 TIP3 5127 40.746 61.901 -2.232 1.00 0.00 WT1 O ATOM 16085 H1 TIP3 5127 40.704 62.313 -1.369 1.00 0.00 WT1 H ATOM 16086 H2 TIP3 5127 40.213 61.110 -2.146 1.00 0.00 WT1 H ATOM 16087 OH2 TIP3 5128 53.280 7.557 37.064 1.00 0.00 WT1 O ATOM 16088 H1 TIP3 5128 53.840 7.382 36.308 1.00 0.00 WT1 H ATOM 16089 H2 TIP3 5128 53.207 8.511 37.093 1.00 0.00 WT1 H ATOM 16090 OH2 TIP3 5129 82.684 85.446 9.349 1.00 0.00 WT1 O ATOM 16091 H1 TIP3 5129 83.599 85.622 9.129 1.00 0.00 WT1 H ATOM 16092 H2 TIP3 5129 82.508 84.583 8.975 1.00 0.00 WT1 H ATOM 16093 OH2 TIP3 5130 61.663 78.045 31.730 1.00 0.00 WT1 O ATOM 16094 H1 TIP3 5130 61.459 77.794 32.631 1.00 0.00 WT1 H ATOM 16095 H2 TIP3 5130 61.147 77.444 31.191 1.00 0.00 WT1 H ATOM 16096 OH2 TIP3 5131 37.381 12.886 52.810 1.00 0.00 WT1 O ATOM 16097 H1 TIP3 5131 36.931 13.658 52.468 1.00 0.00 WT1 H ATOM 16098 H2 TIP3 5131 37.845 13.203 53.585 1.00 0.00 WT1 H ATOM 16099 OH2 TIP3 5132 51.896 22.617 13.513 1.00 0.00 WT1 O ATOM 16100 H1 TIP3 5132 51.642 21.709 13.347 1.00 0.00 WT1 H ATOM 16101 H2 TIP3 5132 51.168 22.982 14.015 1.00 0.00 WT1 H ATOM 16102 OH2 TIP3 5133 26.770 40.638 3.653 1.00 0.00 WT1 O ATOM 16103 H1 TIP3 5133 26.550 41.557 3.806 1.00 0.00 WT1 H ATOM 16104 H2 TIP3 5133 26.045 40.150 4.045 1.00 0.00 WT1 H ATOM 16105 OH2 TIP3 5134 62.255 13.129 -17.771 1.00 0.00 WT1 O ATOM 16106 H1 TIP3 5134 62.533 12.960 -16.871 1.00 0.00 WT1 H ATOM 16107 H2 TIP3 5134 61.330 12.882 -17.788 1.00 0.00 WT1 H ATOM 16108 OH2 TIP3 5135 76.804 32.631 15.821 1.00 0.00 WT1 O ATOM 16109 H1 TIP3 5135 77.449 32.735 15.122 1.00 0.00 WT1 H ATOM 16110 H2 TIP3 5135 77.313 32.703 16.629 1.00 0.00 WT1 H ATOM 16111 OH2 TIP3 5138 55.962 36.771 -10.992 1.00 0.00 WT1 O ATOM 16112 H1 TIP3 5138 55.319 37.304 -10.524 1.00 0.00 WT1 H ATOM 16113 H2 TIP3 5138 56.576 37.406 -11.362 1.00 0.00 WT1 H ATOM 16114 OH2 TIP3 5143 31.827 66.028 34.807 1.00 0.00 WT1 O ATOM 16115 H1 TIP3 5143 32.652 65.604 34.571 1.00 0.00 WT1 H ATOM 16116 H2 TIP3 5143 31.442 65.453 35.468 1.00 0.00 WT1 H ATOM 16117 OH2 TIP3 5144 90.296 40.670 66.101 1.00 0.00 WT1 O ATOM 16118 H1 TIP3 5144 89.486 40.192 65.921 1.00 0.00 WT1 H ATOM 16119 H2 TIP3 5144 90.313 40.764 67.053 1.00 0.00 WT1 H ATOM 16120 OH2 TIP3 5146 55.256 63.598 -11.070 1.00 0.00 WT1 O ATOM 16121 H1 TIP3 5146 55.353 63.635 -10.119 1.00 0.00 WT1 H ATOM 16122 H2 TIP3 5146 54.443 63.113 -11.210 1.00 0.00 WT1 H ATOM 16123 OH2 TIP3 5147 45.451 34.693 49.592 1.00 0.00 WT1 O ATOM 16124 H1 TIP3 5147 45.563 35.630 49.756 1.00 0.00 WT1 H ATOM 16125 H2 TIP3 5147 45.330 34.629 48.645 1.00 0.00 WT1 H ATOM 16126 OH2 TIP3 5148 45.480 39.624 56.346 1.00 0.00 WT1 O ATOM 16127 H1 TIP3 5148 45.667 39.556 55.410 1.00 0.00 WT1 H ATOM 16128 H2 TIP3 5148 44.778 40.272 56.404 1.00 0.00 WT1 H ATOM 16129 OH2 TIP3 5149 83.809 39.006 66.006 1.00 0.00 WT1 O ATOM 16130 H1 TIP3 5149 83.306 39.283 66.772 1.00 0.00 WT1 H ATOM 16131 H2 TIP3 5149 84.309 39.782 65.754 1.00 0.00 WT1 H ATOM 16132 OH2 TIP3 5151 79.144 5.100 -12.267 1.00 0.00 WT1 O ATOM 16133 H1 TIP3 5151 78.755 4.374 -12.755 1.00 0.00 WT1 H ATOM 16134 H2 TIP3 5151 79.541 5.655 -12.938 1.00 0.00 WT1 H ATOM 16135 OH2 TIP3 5152 40.053 70.751 -8.224 1.00 0.00 WT1 O ATOM 16136 H1 TIP3 5152 40.326 71.660 -8.350 1.00 0.00 WT1 H ATOM 16137 H2 TIP3 5152 39.097 70.787 -8.210 1.00 0.00 WT1 H ATOM 16138 OH2 TIP3 5154 20.746 28.138 8.268 1.00 0.00 WT1 O ATOM 16139 H1 TIP3 5154 21.475 28.756 8.321 1.00 0.00 WT1 H ATOM 16140 H2 TIP3 5154 20.600 27.861 9.172 1.00 0.00 WT1 H ATOM 16141 OH2 TIP3 5156 27.503 88.511 -2.587 1.00 0.00 WT1 O ATOM 16142 H1 TIP3 5156 28.454 88.530 -2.484 1.00 0.00 WT1 H ATOM 16143 H2 TIP3 5156 27.176 88.185 -1.749 1.00 0.00 WT1 H ATOM 16144 OH2 TIP3 5162 77.308 20.003 63.221 1.00 0.00 WT1 O ATOM 16145 H1 TIP3 5162 76.613 19.661 62.659 1.00 0.00 WT1 H ATOM 16146 H2 TIP3 5162 77.659 20.753 62.740 1.00 0.00 WT1 H ATOM 16147 OH2 TIP3 5163 22.131 18.621 43.790 1.00 0.00 WT1 O ATOM 16148 H1 TIP3 5163 21.401 18.892 43.235 1.00 0.00 WT1 H ATOM 16149 H2 TIP3 5163 22.168 17.669 43.691 1.00 0.00 WT1 H ATOM 16150 OH2 TIP3 5164 45.654 69.720 26.495 1.00 0.00 WT1 O ATOM 16151 H1 TIP3 5164 46.433 69.973 26.990 1.00 0.00 WT1 H ATOM 16152 H2 TIP3 5164 45.710 70.226 25.685 1.00 0.00 WT1 H ATOM 16153 OH2 TIP3 5165 53.186 20.563 61.050 1.00 0.00 WT1 O ATOM 16154 H1 TIP3 5165 52.397 20.029 61.144 1.00 0.00 WT1 H ATOM 16155 H2 TIP3 5165 53.264 20.712 60.107 1.00 0.00 WT1 H ATOM 16156 OH2 TIP3 5166 82.491 85.753 -6.004 1.00 0.00 WT1 O ATOM 16157 H1 TIP3 5166 82.325 86.417 -5.336 1.00 0.00 WT1 H ATOM 16158 H2 TIP3 5166 82.289 84.922 -5.573 1.00 0.00 WT1 H ATOM 16159 OH2 TIP3 5167 63.091 22.314 -14.078 1.00 0.00 WT1 O ATOM 16160 H1 TIP3 5167 63.136 22.976 -13.388 1.00 0.00 WT1 H ATOM 16161 H2 TIP3 5167 63.566 22.702 -14.814 1.00 0.00 WT1 H ATOM 16162 OH2 TIP3 5168 76.071 11.748 37.821 1.00 0.00 WT1 O ATOM 16163 H1 TIP3 5168 75.874 11.273 38.628 1.00 0.00 WT1 H ATOM 16164 H2 TIP3 5168 77.017 11.890 37.850 1.00 0.00 WT1 H ATOM 16165 OH2 TIP3 5169 61.137 25.868 60.203 1.00 0.00 WT1 O ATOM 16166 H1 TIP3 5169 60.843 26.466 59.516 1.00 0.00 WT1 H ATOM 16167 H2 TIP3 5169 60.331 25.484 60.548 1.00 0.00 WT1 H ATOM 16168 OH2 TIP3 5170 21.300 38.520 50.858 1.00 0.00 WT1 O ATOM 16169 H1 TIP3 5170 21.842 38.828 50.132 1.00 0.00 WT1 H ATOM 16170 H2 TIP3 5170 20.927 39.317 51.234 1.00 0.00 WT1 H ATOM 16171 OH2 TIP3 5171 29.219 16.455 10.374 1.00 0.00 WT1 O ATOM 16172 H1 TIP3 5171 28.333 16.092 10.368 1.00 0.00 WT1 H ATOM 16173 H2 TIP3 5171 29.483 16.458 9.454 1.00 0.00 WT1 H ATOM 16174 OH2 TIP3 5172 27.808 45.164 21.688 1.00 0.00 WT1 O ATOM 16175 H1 TIP3 5172 27.833 44.489 21.009 1.00 0.00 WT1 H ATOM 16176 H2 TIP3 5172 28.604 45.676 21.546 1.00 0.00 WT1 H ATOM 16177 OH2 TIP3 5173 32.728 53.049 9.250 1.00 0.00 WT1 O ATOM 16178 H1 TIP3 5173 33.383 53.517 9.768 1.00 0.00 WT1 H ATOM 16179 H2 TIP3 5173 32.790 52.141 9.548 1.00 0.00 WT1 H ATOM 16180 OH2 TIP3 5174 85.830 93.009 -15.865 1.00 0.00 WT1 O ATOM 16181 H1 TIP3 5174 86.744 93.294 -15.863 1.00 0.00 WT1 H ATOM 16182 H2 TIP3 5174 85.814 92.257 -16.456 1.00 0.00 WT1 H ATOM 16183 OH2 TIP3 5175 67.669 45.881 27.781 1.00 0.00 WT1 O ATOM 16184 H1 TIP3 5175 66.724 46.005 27.869 1.00 0.00 WT1 H ATOM 16185 H2 TIP3 5175 67.988 46.713 27.429 1.00 0.00 WT1 H ATOM 16186 OH2 TIP3 5176 33.084 50.578 27.901 1.00 0.00 WT1 O ATOM 16187 H1 TIP3 5176 32.788 49.773 28.326 1.00 0.00 WT1 H ATOM 16188 H2 TIP3 5176 33.976 50.706 28.225 1.00 0.00 WT1 H ATOM 16189 OH2 TIP3 5180 53.783 50.781 22.642 1.00 0.00 WT1 O ATOM 16190 H1 TIP3 5180 54.556 50.330 22.303 1.00 0.00 WT1 H ATOM 16191 H2 TIP3 5180 53.511 51.361 21.930 1.00 0.00 WT1 H ATOM 16192 OH2 TIP3 5185 28.787 48.628 39.635 1.00 0.00 WT1 O ATOM 16193 H1 TIP3 5185 29.544 49.192 39.797 1.00 0.00 WT1 H ATOM 16194 H2 TIP3 5185 28.921 47.876 40.211 1.00 0.00 WT1 H ATOM 16195 OH2 TIP3 5186 49.711 53.002 -13.681 1.00 0.00 WT1 O ATOM 16196 H1 TIP3 5186 50.379 52.861 -14.352 1.00 0.00 WT1 H ATOM 16197 H2 TIP3 5186 50.134 52.743 -12.863 1.00 0.00 WT1 H ATOM 16198 OH2 TIP3 5187 77.507 28.870 42.952 1.00 0.00 WT1 O ATOM 16199 H1 TIP3 5187 77.759 28.099 42.444 1.00 0.00 WT1 H ATOM 16200 H2 TIP3 5187 76.550 28.881 42.912 1.00 0.00 WT1 H ATOM 16201 OH2 TIP3 5188 24.511 7.024 -3.251 1.00 0.00 WT1 O ATOM 16202 H1 TIP3 5188 24.722 7.812 -3.752 1.00 0.00 WT1 H ATOM 16203 H2 TIP3 5188 25.362 6.644 -3.033 1.00 0.00 WT1 H ATOM 16204 OH2 TIP3 5189 52.491 67.583 -13.329 1.00 0.00 WT1 O ATOM 16205 H1 TIP3 5189 52.938 66.841 -12.921 1.00 0.00 WT1 H ATOM 16206 H2 TIP3 5189 52.780 68.343 -12.825 1.00 0.00 WT1 H ATOM 16207 OH2 TIP3 5190 45.107 37.414 -10.791 1.00 0.00 WT1 O ATOM 16208 H1 TIP3 5190 45.347 36.688 -10.215 1.00 0.00 WT1 H ATOM 16209 H2 TIP3 5190 44.359 37.087 -11.291 1.00 0.00 WT1 H ATOM 16210 OH2 TIP3 5191 20.916 82.319 23.173 1.00 0.00 WT1 O ATOM 16211 H1 TIP3 5191 20.439 82.253 24.000 1.00 0.00 WT1 H ATOM 16212 H2 TIP3 5191 21.403 83.141 23.242 1.00 0.00 WT1 H ATOM 16213 OH2 TIP3 5192 87.946 62.848 38.676 1.00 0.00 WT1 O ATOM 16214 H1 TIP3 5192 88.736 62.597 39.153 1.00 0.00 WT1 H ATOM 16215 H2 TIP3 5192 87.695 63.691 39.054 1.00 0.00 WT1 H ATOM 16216 OH2 TIP3 5193 56.090 23.629 2.100 1.00 0.00 WT1 O ATOM 16217 H1 TIP3 5193 56.701 24.366 2.089 1.00 0.00 WT1 H ATOM 16218 H2 TIP3 5193 55.638 23.703 2.940 1.00 0.00 WT1 H ATOM 16219 OH2 TIP3 5194 82.070 78.404 3.356 1.00 0.00 WT1 O ATOM 16220 H1 TIP3 5194 81.899 79.185 2.830 1.00 0.00 WT1 H ATOM 16221 H2 TIP3 5194 81.233 77.940 3.376 1.00 0.00 WT1 H ATOM 16222 OH2 TIP3 5196 33.679 26.786 19.977 1.00 0.00 WT1 O ATOM 16223 H1 TIP3 5196 32.845 26.431 19.668 1.00 0.00 WT1 H ATOM 16224 H2 TIP3 5196 34.082 26.067 20.462 1.00 0.00 WT1 H ATOM 16225 OH2 TIP3 5199 46.223 58.209 17.490 1.00 0.00 WT1 O ATOM 16226 H1 TIP3 5199 45.687 58.801 18.018 1.00 0.00 WT1 H ATOM 16227 H2 TIP3 5199 46.714 57.694 18.131 1.00 0.00 WT1 H ATOM 16228 OH2 TIP3 5202 61.648 63.074 22.610 1.00 0.00 WT1 O ATOM 16229 H1 TIP3 5202 60.814 62.784 22.241 1.00 0.00 WT1 H ATOM 16230 H2 TIP3 5202 61.591 64.030 22.607 1.00 0.00 WT1 H ATOM 16231 OH2 TIP3 5205 29.268 23.988 12.688 1.00 0.00 WT1 O ATOM 16232 H1 TIP3 5205 29.856 23.438 12.171 1.00 0.00 WT1 H ATOM 16233 H2 TIP3 5205 28.815 23.376 13.268 1.00 0.00 WT1 H ATOM 16234 OH2 TIP3 5206 27.057 60.215 61.041 1.00 0.00 WT1 O ATOM 16235 H1 TIP3 5206 26.513 60.573 61.743 1.00 0.00 WT1 H ATOM 16236 H2 TIP3 5206 27.648 59.605 61.483 1.00 0.00 WT1 H ATOM 16237 OH2 TIP3 5207 53.468 22.567 -0.786 1.00 0.00 WT1 O ATOM 16238 H1 TIP3 5207 53.337 23.370 -1.291 1.00 0.00 WT1 H ATOM 16239 H2 TIP3 5207 52.872 22.653 -0.041 1.00 0.00 WT1 H ATOM 16240 OH2 TIP3 5209 81.056 76.125 27.636 1.00 0.00 WT1 O ATOM 16241 H1 TIP3 5209 80.621 76.425 28.433 1.00 0.00 WT1 H ATOM 16242 H2 TIP3 5209 80.591 75.323 27.396 1.00 0.00 WT1 H ATOM 16243 OH2 TIP3 5211 73.076 87.348 -8.461 1.00 0.00 WT1 O ATOM 16244 H1 TIP3 5211 73.944 87.004 -8.251 1.00 0.00 WT1 H ATOM 16245 H2 TIP3 5211 72.919 87.068 -9.363 1.00 0.00 WT1 H ATOM 16246 OH2 TIP3 5212 64.568 58.779 57.833 1.00 0.00 WT1 O ATOM 16247 H1 TIP3 5212 65.421 58.503 57.499 1.00 0.00 WT1 H ATOM 16248 H2 TIP3 5212 64.773 59.376 58.552 1.00 0.00 WT1 H ATOM 16249 OH2 TIP3 5213 54.096 90.583 60.741 1.00 0.00 WT1 O ATOM 16250 H1 TIP3 5213 54.913 90.939 60.392 1.00 0.00 WT1 H ATOM 16251 H2 TIP3 5213 54.346 89.742 61.125 1.00 0.00 WT1 H ATOM 16252 OH2 TIP3 5214 78.658 91.204 56.534 1.00 0.00 WT1 O ATOM 16253 H1 TIP3 5214 78.747 91.952 55.944 1.00 0.00 WT1 H ATOM 16254 H2 TIP3 5214 79.148 90.502 56.106 1.00 0.00 WT1 H ATOM 16255 OH2 TIP3 5216 48.575 75.248 -13.877 1.00 0.00 WT1 O ATOM 16256 H1 TIP3 5216 47.835 75.073 -14.458 1.00 0.00 WT1 H ATOM 16257 H2 TIP3 5216 49.344 74.983 -14.382 1.00 0.00 WT1 H ATOM 16258 OH2 TIP3 5219 85.144 92.506 7.833 1.00 0.00 WT1 O ATOM 16259 H1 TIP3 5219 85.247 91.999 8.638 1.00 0.00 WT1 H ATOM 16260 H2 TIP3 5219 85.672 92.038 7.186 1.00 0.00 WT1 H ATOM 16261 OH2 TIP3 5226 27.736 69.588 21.987 1.00 0.00 WT1 O ATOM 16262 H1 TIP3 5226 26.953 69.043 21.906 1.00 0.00 WT1 H ATOM 16263 H2 TIP3 5226 28.326 69.080 22.544 1.00 0.00 WT1 H ATOM 16264 OH2 TIP3 5230 44.923 50.871 65.358 1.00 0.00 WT1 O ATOM 16265 H1 TIP3 5230 45.140 51.757 65.067 1.00 0.00 WT1 H ATOM 16266 H2 TIP3 5230 45.166 50.310 64.621 1.00 0.00 WT1 H ATOM 16267 OH2 TIP3 5231 86.408 64.734 3.646 1.00 0.00 WT1 O ATOM 16268 H1 TIP3 5231 87.323 65.001 3.733 1.00 0.00 WT1 H ATOM 16269 H2 TIP3 5231 86.377 63.855 4.023 1.00 0.00 WT1 H ATOM 16270 OH2 TIP3 5233 73.178 44.409 2.198 1.00 0.00 WT1 O ATOM 16271 H1 TIP3 5233 73.449 45.073 1.565 1.00 0.00 WT1 H ATOM 16272 H2 TIP3 5233 72.615 44.879 2.813 1.00 0.00 WT1 H ATOM 16273 OH2 TIP3 5236 46.373 53.699 21.731 1.00 0.00 WT1 O ATOM 16274 H1 TIP3 5236 47.253 53.840 21.381 1.00 0.00 WT1 H ATOM 16275 H2 TIP3 5236 46.296 54.328 22.448 1.00 0.00 WT1 H ATOM 16276 OH2 TIP3 5239 35.385 14.657 45.302 1.00 0.00 WT1 O ATOM 16277 H1 TIP3 5239 36.282 14.324 45.331 1.00 0.00 WT1 H ATOM 16278 H2 TIP3 5239 34.941 14.096 44.666 1.00 0.00 WT1 H ATOM 16279 OH2 TIP3 5241 23.941 12.449 7.538 1.00 0.00 WT1 O ATOM 16280 H1 TIP3 5241 24.461 13.252 7.529 1.00 0.00 WT1 H ATOM 16281 H2 TIP3 5241 24.534 11.782 7.883 1.00 0.00 WT1 H ATOM 16282 OH2 TIP3 5243 79.159 89.460 6.841 1.00 0.00 WT1 O ATOM 16283 H1 TIP3 5243 78.883 90.222 6.332 1.00 0.00 WT1 H ATOM 16284 H2 TIP3 5243 79.357 88.792 6.185 1.00 0.00 WT1 H ATOM 16285 OH2 TIP3 5246 61.628 50.636 25.060 1.00 0.00 WT1 O ATOM 16286 H1 TIP3 5246 61.021 50.249 25.691 1.00 0.00 WT1 H ATOM 16287 H2 TIP3 5246 61.064 51.023 24.390 1.00 0.00 WT1 H ATOM 16288 OH2 TIP3 5247 57.819 42.862 32.391 1.00 0.00 WT1 O ATOM 16289 H1 TIP3 5247 57.074 43.147 31.862 1.00 0.00 WT1 H ATOM 16290 H2 TIP3 5247 58.425 43.602 32.370 1.00 0.00 WT1 H ATOM 16291 OH2 TIP3 5251 56.571 31.791 1.481 1.00 0.00 WT1 O ATOM 16292 H1 TIP3 5251 57.427 31.370 1.557 1.00 0.00 WT1 H ATOM 16293 H2 TIP3 5251 56.370 32.087 2.369 1.00 0.00 WT1 H ATOM 16294 OH2 TIP3 5252 50.532 68.397 30.372 1.00 0.00 WT1 O ATOM 16295 H1 TIP3 5252 50.264 68.306 29.458 1.00 0.00 WT1 H ATOM 16296 H2 TIP3 5252 51.332 67.875 30.440 1.00 0.00 WT1 H ATOM 16297 OH2 TIP3 5253 86.507 71.093 38.843 1.00 0.00 WT1 O ATOM 16298 H1 TIP3 5253 86.888 70.310 39.241 1.00 0.00 WT1 H ATOM 16299 H2 TIP3 5253 87.152 71.782 39.004 1.00 0.00 WT1 H ATOM 16300 OH2 TIP3 5254 57.857 66.358 43.098 1.00 0.00 WT1 O ATOM 16301 H1 TIP3 5254 57.600 66.168 42.196 1.00 0.00 WT1 H ATOM 16302 H2 TIP3 5254 57.093 66.790 43.480 1.00 0.00 WT1 H ATOM 16303 OH2 TIP3 5255 44.344 38.778 67.069 1.00 0.00 WT1 O ATOM 16304 H1 TIP3 5255 44.446 38.768 66.117 1.00 0.00 WT1 H ATOM 16305 H2 TIP3 5255 45.239 38.779 67.406 1.00 0.00 WT1 H ATOM 16306 OH2 TIP3 5259 59.329 22.366 -14.539 1.00 0.00 WT1 O ATOM 16307 H1 TIP3 5259 59.189 23.273 -14.267 1.00 0.00 WT1 H ATOM 16308 H2 TIP3 5259 60.074 22.407 -15.138 1.00 0.00 WT1 H ATOM 16309 OH2 TIP3 5260 43.642 74.085 15.184 1.00 0.00 WT1 O ATOM 16310 H1 TIP3 5260 43.846 73.641 14.361 1.00 0.00 WT1 H ATOM 16311 H2 TIP3 5260 43.748 73.409 15.854 1.00 0.00 WT1 H ATOM 16312 OH2 TIP3 5264 40.905 26.736 17.300 1.00 0.00 WT1 O ATOM 16313 H1 TIP3 5264 41.520 26.064 17.592 1.00 0.00 WT1 H ATOM 16314 H2 TIP3 5264 41.247 27.551 17.668 1.00 0.00 WT1 H ATOM 16315 OH2 TIP3 5266 50.010 30.187 34.597 1.00 0.00 WT1 O ATOM 16316 H1 TIP3 5266 50.196 30.312 33.666 1.00 0.00 WT1 H ATOM 16317 H2 TIP3 5266 49.426 30.911 34.823 1.00 0.00 WT1 H ATOM 16318 OH2 TIP3 5267 55.546 84.186 11.961 1.00 0.00 WT1 O ATOM 16319 H1 TIP3 5267 55.644 84.053 11.018 1.00 0.00 WT1 H ATOM 16320 H2 TIP3 5267 55.707 85.121 12.089 1.00 0.00 WT1 H ATOM 16321 OH2 TIP3 5268 42.448 32.247 45.968 1.00 0.00 WT1 O ATOM 16322 H1 TIP3 5268 42.550 31.934 45.069 1.00 0.00 WT1 H ATOM 16323 H2 TIP3 5268 41.596 32.684 45.975 1.00 0.00 WT1 H ATOM 16324 OH2 TIP3 5269 50.808 53.664 18.569 1.00 0.00 WT1 O ATOM 16325 H1 TIP3 5269 51.078 52.835 18.176 1.00 0.00 WT1 H ATOM 16326 H2 TIP3 5269 49.904 53.785 18.279 1.00 0.00 WT1 H ATOM 16327 OH2 TIP3 5270 57.632 48.135 -10.571 1.00 0.00 WT1 O ATOM 16328 H1 TIP3 5270 56.849 48.044 -11.114 1.00 0.00 WT1 H ATOM 16329 H2 TIP3 5270 57.623 47.364 -10.005 1.00 0.00 WT1 H ATOM 16330 OH2 TIP3 5271 32.812 14.286 49.676 1.00 0.00 WT1 O ATOM 16331 H1 TIP3 5271 33.051 13.399 49.943 1.00 0.00 WT1 H ATOM 16332 H2 TIP3 5271 33.334 14.449 48.890 1.00 0.00 WT1 H ATOM 16333 OH2 TIP3 5272 53.937 81.426 12.401 1.00 0.00 WT1 O ATOM 16334 H1 TIP3 5272 54.616 82.016 12.728 1.00 0.00 WT1 H ATOM 16335 H2 TIP3 5272 54.410 80.630 12.154 1.00 0.00 WT1 H ATOM 16336 OH2 TIP3 5273 60.370 4.769 42.654 1.00 0.00 WT1 O ATOM 16337 H1 TIP3 5273 61.290 5.024 42.715 1.00 0.00 WT1 H ATOM 16338 H2 TIP3 5273 60.086 4.675 43.563 1.00 0.00 WT1 H ATOM 16339 OH2 TIP3 5274 44.431 3.437 -10.865 1.00 0.00 WT1 O ATOM 16340 H1 TIP3 5274 43.626 3.685 -10.411 1.00 0.00 WT1 H ATOM 16341 H2 TIP3 5274 44.545 4.110 -11.536 1.00 0.00 WT1 H ATOM 16342 OH2 TIP3 5275 52.893 62.648 41.651 1.00 0.00 WT1 O ATOM 16343 H1 TIP3 5275 52.830 62.303 40.760 1.00 0.00 WT1 H ATOM 16344 H2 TIP3 5275 53.797 62.477 41.912 1.00 0.00 WT1 H ATOM 16345 OH2 TIP3 5276 66.678 60.491 -12.519 1.00 0.00 WT1 O ATOM 16346 H1 TIP3 5276 66.957 59.740 -13.044 1.00 0.00 WT1 H ATOM 16347 H2 TIP3 5276 66.745 60.189 -11.613 1.00 0.00 WT1 H ATOM 16348 OH2 TIP3 5277 49.285 64.024 62.055 1.00 0.00 WT1 O ATOM 16349 H1 TIP3 5277 49.704 64.412 61.286 1.00 0.00 WT1 H ATOM 16350 H2 TIP3 5277 49.465 64.641 62.764 1.00 0.00 WT1 H ATOM 16351 OH2 TIP3 5278 41.346 64.149 8.790 1.00 0.00 WT1 O ATOM 16352 H1 TIP3 5278 41.892 63.406 9.049 1.00 0.00 WT1 H ATOM 16353 H2 TIP3 5278 41.883 64.919 8.976 1.00 0.00 WT1 H ATOM 16354 OH2 TIP3 5280 27.797 62.160 22.956 1.00 0.00 WT1 O ATOM 16355 H1 TIP3 5280 28.403 62.503 22.299 1.00 0.00 WT1 H ATOM 16356 H2 TIP3 5280 28.333 62.046 23.741 1.00 0.00 WT1 H ATOM 16357 OH2 TIP3 5283 65.189 64.051 42.966 1.00 0.00 WT1 O ATOM 16358 H1 TIP3 5283 64.534 63.617 43.512 1.00 0.00 WT1 H ATOM 16359 H2 TIP3 5283 65.048 63.691 42.090 1.00 0.00 WT1 H ATOM 16360 OH2 TIP3 5284 37.817 6.593 18.173 1.00 0.00 WT1 O ATOM 16361 H1 TIP3 5284 36.871 6.626 18.314 1.00 0.00 WT1 H ATOM 16362 H2 TIP3 5284 38.193 6.690 19.048 1.00 0.00 WT1 H ATOM 16363 OH2 TIP3 5286 37.467 21.768 -5.856 1.00 0.00 WT1 O ATOM 16364 H1 TIP3 5286 37.390 22.694 -5.625 1.00 0.00 WT1 H ATOM 16365 H2 TIP3 5286 38.071 21.756 -6.599 1.00 0.00 WT1 H ATOM 16366 OH2 TIP3 5288 50.806 79.153 46.070 1.00 0.00 WT1 O ATOM 16367 H1 TIP3 5288 51.141 78.283 46.285 1.00 0.00 WT1 H ATOM 16368 H2 TIP3 5288 49.927 78.994 45.725 1.00 0.00 WT1 H ATOM 16369 OH2 TIP3 5289 52.863 85.450 -15.489 1.00 0.00 WT1 O ATOM 16370 H1 TIP3 5289 53.764 85.448 -15.166 1.00 0.00 WT1 H ATOM 16371 H2 TIP3 5289 52.373 84.948 -14.838 1.00 0.00 WT1 H ATOM 16372 OH2 TIP3 5292 32.988 9.767 64.981 1.00 0.00 WT1 O ATOM 16373 H1 TIP3 5292 32.144 10.055 65.330 1.00 0.00 WT1 H ATOM 16374 H2 TIP3 5292 32.831 8.872 64.681 1.00 0.00 WT1 H ATOM 16375 OH2 TIP3 5293 68.303 54.514 -3.629 1.00 0.00 WT1 O ATOM 16376 H1 TIP3 5293 68.019 55.249 -3.086 1.00 0.00 WT1 H ATOM 16377 H2 TIP3 5293 68.062 54.767 -4.520 1.00 0.00 WT1 H ATOM 16378 OH2 TIP3 5294 74.453 90.737 15.558 1.00 0.00 WT1 O ATOM 16379 H1 TIP3 5294 74.628 91.218 14.749 1.00 0.00 WT1 H ATOM 16380 H2 TIP3 5294 73.561 90.990 15.799 1.00 0.00 WT1 H ATOM 16381 OH2 TIP3 5295 59.224 33.057 -18.727 1.00 0.00 WT1 O ATOM 16382 H1 TIP3 5295 59.118 33.837 -18.182 1.00 0.00 WT1 H ATOM 16383 H2 TIP3 5295 59.204 33.388 -19.625 1.00 0.00 WT1 H ATOM 16384 OH2 TIP3 5296 58.182 15.664 47.528 1.00 0.00 WT1 O ATOM 16385 H1 TIP3 5296 58.027 16.070 48.381 1.00 0.00 WT1 H ATOM 16386 H2 TIP3 5296 58.745 14.914 47.717 1.00 0.00 WT1 H ATOM 16387 OH2 TIP3 5297 55.891 58.768 -1.519 1.00 0.00 WT1 O ATOM 16388 H1 TIP3 5297 56.081 59.027 -0.617 1.00 0.00 WT1 H ATOM 16389 H2 TIP3 5297 54.977 59.018 -1.653 1.00 0.00 WT1 H ATOM 16390 OH2 TIP3 5298 26.350 60.988 28.536 1.00 0.00 WT1 O ATOM 16391 H1 TIP3 5298 26.512 61.489 29.336 1.00 0.00 WT1 H ATOM 16392 H2 TIP3 5298 27.050 60.334 28.517 1.00 0.00 WT1 H ATOM 16393 OH2 TIP3 5300 81.823 47.362 13.193 1.00 0.00 WT1 O ATOM 16394 H1 TIP3 5300 81.320 47.257 14.001 1.00 0.00 WT1 H ATOM 16395 H2 TIP3 5300 82.465 48.042 13.396 1.00 0.00 WT1 H ATOM 16396 OH2 TIP3 5301 46.624 88.009 62.273 1.00 0.00 WT1 O ATOM 16397 H1 TIP3 5301 46.787 88.360 61.397 1.00 0.00 WT1 H ATOM 16398 H2 TIP3 5301 47.496 87.882 62.647 1.00 0.00 WT1 H ATOM 16399 OH2 TIP3 5302 63.075 83.083 20.571 1.00 0.00 WT1 O ATOM 16400 H1 TIP3 5302 62.308 82.563 20.333 1.00 0.00 WT1 H ATOM 16401 H2 TIP3 5302 62.957 83.272 21.502 1.00 0.00 WT1 H ATOM 16402 OH2 TIP3 5304 61.241 83.544 29.255 1.00 0.00 WT1 O ATOM 16403 H1 TIP3 5304 60.943 83.002 29.986 1.00 0.00 WT1 H ATOM 16404 H2 TIP3 5304 60.785 83.189 28.492 1.00 0.00 WT1 H ATOM 16405 OH2 TIP3 5305 70.714 32.298 -10.840 1.00 0.00 WT1 O ATOM 16406 H1 TIP3 5305 70.804 32.595 -9.935 1.00 0.00 WT1 H ATOM 16407 H2 TIP3 5305 71.550 31.877 -11.039 1.00 0.00 WT1 H ATOM 16408 OH2 TIP3 5306 43.955 6.498 23.021 1.00 0.00 WT1 O ATOM 16409 H1 TIP3 5306 44.431 7.038 23.653 1.00 0.00 WT1 H ATOM 16410 H2 TIP3 5306 43.046 6.526 23.319 1.00 0.00 WT1 H ATOM 16411 OH2 TIP3 5309 76.176 15.019 7.104 1.00 0.00 WT1 O ATOM 16412 H1 TIP3 5309 75.401 15.071 6.545 1.00 0.00 WT1 H ATOM 16413 H2 TIP3 5309 76.863 15.460 6.604 1.00 0.00 WT1 H ATOM 16414 OH2 TIP3 5311 47.280 7.636 0.048 1.00 0.00 WT1 O ATOM 16415 H1 TIP3 5311 47.696 7.483 0.896 1.00 0.00 WT1 H ATOM 16416 H2 TIP3 5311 46.628 6.939 -0.029 1.00 0.00 WT1 H ATOM 16417 OH2 TIP3 5313 70.033 1.837 7.015 1.00 0.00 WT1 O ATOM 16418 H1 TIP3 5313 69.628 2.596 6.597 1.00 0.00 WT1 H ATOM 16419 H2 TIP3 5313 70.183 2.112 7.920 1.00 0.00 WT1 H ATOM 16420 OH2 TIP3 5314 39.439 87.495 -15.823 1.00 0.00 WT1 O ATOM 16421 H1 TIP3 5314 39.449 86.709 -15.277 1.00 0.00 WT1 H ATOM 16422 H2 TIP3 5314 40.299 87.506 -16.244 1.00 0.00 WT1 H ATOM 16423 OH2 TIP3 5315 65.724 69.509 55.935 1.00 0.00 WT1 O ATOM 16424 H1 TIP3 5315 65.931 68.669 56.344 1.00 0.00 WT1 H ATOM 16425 H2 TIP3 5315 64.828 69.404 55.613 1.00 0.00 WT1 H ATOM 16426 OH2 TIP3 5316 69.374 61.899 10.154 1.00 0.00 WT1 O ATOM 16427 H1 TIP3 5316 69.294 61.124 10.710 1.00 0.00 WT1 H ATOM 16428 H2 TIP3 5316 69.401 61.554 9.262 1.00 0.00 WT1 H ATOM 16429 OH2 TIP3 5317 69.527 20.642 59.007 1.00 0.00 WT1 O ATOM 16430 H1 TIP3 5317 69.147 20.265 58.213 1.00 0.00 WT1 H ATOM 16431 H2 TIP3 5317 70.468 20.661 58.837 1.00 0.00 WT1 H ATOM 16432 OH2 TIP3 5318 79.731 11.927 -8.783 1.00 0.00 WT1 O ATOM 16433 H1 TIP3 5318 79.642 11.248 -8.114 1.00 0.00 WT1 H ATOM 16434 H2 TIP3 5318 80.543 11.708 -9.240 1.00 0.00 WT1 H ATOM 16435 OH2 TIP3 5319 42.141 87.489 52.857 1.00 0.00 WT1 O ATOM 16436 H1 TIP3 5319 41.782 87.131 53.669 1.00 0.00 WT1 H ATOM 16437 H2 TIP3 5319 41.912 88.418 52.882 1.00 0.00 WT1 H ATOM 16438 OH2 TIP3 5320 64.073 77.128 25.563 1.00 0.00 WT1 O ATOM 16439 H1 TIP3 5320 64.260 76.337 25.056 1.00 0.00 WT1 H ATOM 16440 H2 TIP3 5320 63.120 77.212 25.533 1.00 0.00 WT1 H ATOM 16441 OH2 TIP3 5322 44.093 96.074 2.341 1.00 0.00 WT1 O ATOM 16442 H1 TIP3 5322 43.415 96.716 2.128 1.00 0.00 WT1 H ATOM 16443 H2 TIP3 5322 43.609 95.282 2.574 1.00 0.00 WT1 H ATOM 16444 OH2 TIP3 5323 32.627 4.889 40.981 1.00 0.00 WT1 O ATOM 16445 H1 TIP3 5323 33.525 5.043 40.688 1.00 0.00 WT1 H ATOM 16446 H2 TIP3 5323 32.164 4.600 40.195 1.00 0.00 WT1 H ATOM 16447 OH2 TIP3 5325 37.741 24.664 30.718 1.00 0.00 WT1 O ATOM 16448 H1 TIP3 5325 38.296 23.891 30.822 1.00 0.00 WT1 H ATOM 16449 H2 TIP3 5325 37.778 24.862 29.782 1.00 0.00 WT1 H ATOM 16450 OH2 TIP3 5326 43.250 73.152 8.631 1.00 0.00 WT1 O ATOM 16451 H1 TIP3 5326 42.760 72.332 8.688 1.00 0.00 WT1 H ATOM 16452 H2 TIP3 5326 44.043 72.924 8.145 1.00 0.00 WT1 H ATOM 16453 OH2 TIP3 5327 80.919 24.164 0.666 1.00 0.00 WT1 O ATOM 16454 H1 TIP3 5327 81.846 24.349 0.814 1.00 0.00 WT1 H ATOM 16455 H2 TIP3 5327 80.603 24.910 0.157 1.00 0.00 WT1 H ATOM 16456 OH2 TIP3 5328 62.960 54.187 -10.717 1.00 0.00 WT1 O ATOM 16457 H1 TIP3 5328 62.770 54.163 -9.779 1.00 0.00 WT1 H ATOM 16458 H2 TIP3 5328 62.145 54.487 -11.119 1.00 0.00 WT1 H ATOM 16459 OH2 TIP3 5330 51.066 93.829 53.848 1.00 0.00 WT1 O ATOM 16460 H1 TIP3 5330 50.846 93.010 54.291 1.00 0.00 WT1 H ATOM 16461 H2 TIP3 5330 50.804 93.687 52.938 1.00 0.00 WT1 H ATOM 16462 OH2 TIP3 5331 39.059 82.138 -8.493 1.00 0.00 WT1 O ATOM 16463 H1 TIP3 5331 38.410 81.436 -8.520 1.00 0.00 WT1 H ATOM 16464 H2 TIP3 5331 39.549 81.982 -7.686 1.00 0.00 WT1 H ATOM 16465 OH2 TIP3 5333 44.880 27.553 60.078 1.00 0.00 WT1 O ATOM 16466 H1 TIP3 5333 44.581 28.458 59.983 1.00 0.00 WT1 H ATOM 16467 H2 TIP3 5333 45.175 27.305 59.202 1.00 0.00 WT1 H ATOM 16468 OH2 TIP3 5334 59.869 92.641 19.868 1.00 0.00 WT1 O ATOM 16469 H1 TIP3 5334 60.523 93.164 20.333 1.00 0.00 WT1 H ATOM 16470 H2 TIP3 5334 59.876 91.795 20.315 1.00 0.00 WT1 H ATOM 16471 OH2 TIP3 5335 45.923 70.546 60.885 1.00 0.00 WT1 O ATOM 16472 H1 TIP3 5335 45.889 69.769 60.328 1.00 0.00 WT1 H ATOM 16473 H2 TIP3 5335 45.028 70.883 60.882 1.00 0.00 WT1 H ATOM 16474 OH2 TIP3 5336 63.738 43.706 6.930 1.00 0.00 WT1 O ATOM 16475 H1 TIP3 5336 64.299 43.439 7.658 1.00 0.00 WT1 H ATOM 16476 H2 TIP3 5336 63.494 44.609 7.133 1.00 0.00 WT1 H ATOM 16477 OH2 TIP3 5338 51.311 5.774 49.187 1.00 0.00 WT1 O ATOM 16478 H1 TIP3 5338 51.063 5.770 48.262 1.00 0.00 WT1 H ATOM 16479 H2 TIP3 5338 50.817 6.502 49.564 1.00 0.00 WT1 H ATOM 16480 OH2 TIP3 5339 50.994 20.147 47.408 1.00 0.00 WT1 O ATOM 16481 H1 TIP3 5339 50.178 20.189 46.909 1.00 0.00 WT1 H ATOM 16482 H2 TIP3 5339 51.328 19.264 47.248 1.00 0.00 WT1 H ATOM 16483 OH2 TIP3 5340 81.943 37.325 64.526 1.00 0.00 WT1 O ATOM 16484 H1 TIP3 5340 82.598 37.812 65.027 1.00 0.00 WT1 H ATOM 16485 H2 TIP3 5340 81.579 37.968 63.918 1.00 0.00 WT1 H ATOM 16486 OH2 TIP3 5341 58.798 30.346 53.761 1.00 0.00 WT1 O ATOM 16487 H1 TIP3 5341 58.003 30.873 53.675 1.00 0.00 WT1 H ATOM 16488 H2 TIP3 5341 59.514 30.972 53.649 1.00 0.00 WT1 H ATOM 16489 OH2 TIP3 5342 35.270 19.599 61.648 1.00 0.00 WT1 O ATOM 16490 H1 TIP3 5342 35.222 20.197 62.394 1.00 0.00 WT1 H ATOM 16491 H2 TIP3 5342 35.006 20.130 60.897 1.00 0.00 WT1 H ATOM 16492 OH2 TIP3 5343 62.095 22.738 21.116 1.00 0.00 WT1 O ATOM 16493 H1 TIP3 5343 61.818 23.326 21.819 1.00 0.00 WT1 H ATOM 16494 H2 TIP3 5343 61.294 22.559 20.623 1.00 0.00 WT1 H ATOM 16495 OH2 TIP3 5344 46.689 85.756 14.287 1.00 0.00 WT1 O ATOM 16496 H1 TIP3 5344 46.441 85.841 15.207 1.00 0.00 WT1 H ATOM 16497 H2 TIP3 5344 47.542 85.322 14.307 1.00 0.00 WT1 H ATOM 16498 OH2 TIP3 5346 45.268 58.237 -15.864 1.00 0.00 WT1 O ATOM 16499 H1 TIP3 5346 46.084 58.573 -15.493 1.00 0.00 WT1 H ATOM 16500 H2 TIP3 5346 44.895 58.981 -16.337 1.00 0.00 WT1 H ATOM 16501 OH2 TIP3 5348 24.542 22.024 53.927 1.00 0.00 WT1 O ATOM 16502 H1 TIP3 5348 23.977 21.311 53.630 1.00 0.00 WT1 H ATOM 16503 H2 TIP3 5348 25.430 21.678 53.844 1.00 0.00 WT1 H ATOM 16504 OH2 TIP3 5349 76.945 35.434 28.932 1.00 0.00 WT1 O ATOM 16505 H1 TIP3 5349 77.589 34.886 29.380 1.00 0.00 WT1 H ATOM 16506 H2 TIP3 5349 77.406 35.763 28.159 1.00 0.00 WT1 H ATOM 16507 OH2 TIP3 5350 26.213 12.658 -4.597 1.00 0.00 WT1 O ATOM 16508 H1 TIP3 5350 26.785 11.893 -4.530 1.00 0.00 WT1 H ATOM 16509 H2 TIP3 5350 26.424 13.184 -3.826 1.00 0.00 WT1 H ATOM 16510 OH2 TIP3 5351 46.579 74.379 50.604 1.00 0.00 WT1 O ATOM 16511 H1 TIP3 5351 46.265 74.402 49.701 1.00 0.00 WT1 H ATOM 16512 H2 TIP3 5351 46.856 73.473 50.739 1.00 0.00 WT1 H ATOM 16513 OH2 TIP3 5352 80.143 65.797 39.920 1.00 0.00 WT1 O ATOM 16514 H1 TIP3 5352 80.882 65.914 40.517 1.00 0.00 WT1 H ATOM 16515 H2 TIP3 5352 80.113 66.610 39.415 1.00 0.00 WT1 H ATOM 16516 OH2 TIP3 5353 85.145 44.100 49.414 1.00 0.00 WT1 O ATOM 16517 H1 TIP3 5353 84.652 43.436 48.932 1.00 0.00 WT1 H ATOM 16518 H2 TIP3 5353 84.763 44.093 50.292 1.00 0.00 WT1 H ATOM 16519 OH2 TIP3 5354 59.123 2.007 16.101 1.00 0.00 WT1 O ATOM 16520 H1 TIP3 5354 59.672 2.040 16.884 1.00 0.00 WT1 H ATOM 16521 H2 TIP3 5354 59.259 1.127 15.749 1.00 0.00 WT1 H ATOM 16522 OH2 TIP3 5355 88.458 65.517 -6.670 1.00 0.00 WT1 O ATOM 16523 H1 TIP3 5355 89.396 65.543 -6.858 1.00 0.00 WT1 H ATOM 16524 H2 TIP3 5355 88.161 66.417 -6.802 1.00 0.00 WT1 H ATOM 16525 OH2 TIP3 5356 48.145 83.824 6.168 1.00 0.00 WT1 O ATOM 16526 H1 TIP3 5356 47.597 84.405 6.695 1.00 0.00 WT1 H ATOM 16527 H2 TIP3 5356 47.596 83.057 6.005 1.00 0.00 WT1 H ATOM 16528 OH2 TIP3 5357 65.400 29.828 -3.603 1.00 0.00 WT1 O ATOM 16529 H1 TIP3 5357 65.292 29.056 -3.048 1.00 0.00 WT1 H ATOM 16530 H2 TIP3 5357 64.546 29.945 -4.020 1.00 0.00 WT1 H ATOM 16531 OH2 TIP3 5358 31.070 86.540 -19.519 1.00 0.00 WT1 O ATOM 16532 H1 TIP3 5358 30.533 87.327 -19.617 1.00 0.00 WT1 H ATOM 16533 H2 TIP3 5358 31.623 86.720 -18.759 1.00 0.00 WT1 H ATOM 16534 OH2 TIP3 5359 53.013 23.622 8.320 1.00 0.00 WT1 O ATOM 16535 H1 TIP3 5359 53.684 23.285 8.914 1.00 0.00 WT1 H ATOM 16536 H2 TIP3 5359 52.333 23.969 8.898 1.00 0.00 WT1 H ATOM 16537 OH2 TIP3 5360 65.486 17.652 32.131 1.00 0.00 WT1 O ATOM 16538 H1 TIP3 5360 66.330 17.999 31.845 1.00 0.00 WT1 H ATOM 16539 H2 TIP3 5360 64.949 18.428 32.291 1.00 0.00 WT1 H ATOM 16540 OH2 TIP3 5361 56.480 56.945 10.688 1.00 0.00 WT1 O ATOM 16541 H1 TIP3 5361 56.964 56.134 10.840 1.00 0.00 WT1 H ATOM 16542 H2 TIP3 5361 56.122 57.176 11.545 1.00 0.00 WT1 H ATOM 16543 OH2 TIP3 5364 26.569 74.295 26.339 1.00 0.00 WT1 O ATOM 16544 H1 TIP3 5364 27.246 74.498 25.693 1.00 0.00 WT1 H ATOM 16545 H2 TIP3 5364 26.963 73.624 26.897 1.00 0.00 WT1 H ATOM 16546 OH2 TIP3 5365 80.238 17.292 -18.343 1.00 0.00 WT1 O ATOM 16547 H1 TIP3 5365 79.842 16.453 -18.108 1.00 0.00 WT1 H ATOM 16548 H2 TIP3 5365 79.632 17.675 -18.977 1.00 0.00 WT1 H ATOM 16549 OH2 TIP3 5366 27.320 89.124 -8.496 1.00 0.00 WT1 O ATOM 16550 H1 TIP3 5366 27.018 88.321 -8.921 1.00 0.00 WT1 H ATOM 16551 H2 TIP3 5366 27.977 88.829 -7.865 1.00 0.00 WT1 H ATOM 16552 OH2 TIP3 5368 63.263 15.285 31.229 1.00 0.00 WT1 O ATOM 16553 H1 TIP3 5368 63.617 15.985 31.778 1.00 0.00 WT1 H ATOM 16554 H2 TIP3 5368 63.011 15.723 30.415 1.00 0.00 WT1 H ATOM 16555 OH2 TIP3 5369 56.699 75.967 0.652 1.00 0.00 WT1 O ATOM 16556 H1 TIP3 5369 56.747 75.963 1.608 1.00 0.00 WT1 H ATOM 16557 H2 TIP3 5369 56.789 75.047 0.403 1.00 0.00 WT1 H ATOM 16558 OH2 TIP3 5370 36.229 25.291 25.542 1.00 0.00 WT1 O ATOM 16559 H1 TIP3 5370 35.299 25.117 25.688 1.00 0.00 WT1 H ATOM 16560 H2 TIP3 5370 36.587 24.454 25.247 1.00 0.00 WT1 H ATOM 16561 OH2 TIP3 5371 71.567 1.861 39.162 1.00 0.00 WT1 O ATOM 16562 H1 TIP3 5371 71.489 2.298 38.314 1.00 0.00 WT1 H ATOM 16563 H2 TIP3 5371 71.855 2.550 39.761 1.00 0.00 WT1 H ATOM 16564 OH2 TIP3 5372 75.054 91.049 43.767 1.00 0.00 WT1 O ATOM 16565 H1 TIP3 5372 74.415 90.396 43.480 1.00 0.00 WT1 H ATOM 16566 H2 TIP3 5372 74.841 91.832 43.261 1.00 0.00 WT1 H ATOM 16567 OH2 TIP3 5374 34.724 25.197 64.513 1.00 0.00 WT1 O ATOM 16568 H1 TIP3 5374 33.814 24.975 64.709 1.00 0.00 WT1 H ATOM 16569 H2 TIP3 5374 35.235 24.502 64.928 1.00 0.00 WT1 H ATOM 16570 OH2 TIP3 5375 41.214 13.366 -7.431 1.00 0.00 WT1 O ATOM 16571 H1 TIP3 5375 42.077 13.619 -7.103 1.00 0.00 WT1 H ATOM 16572 H2 TIP3 5375 41.327 12.466 -7.736 1.00 0.00 WT1 H ATOM 16573 OH2 TIP3 5376 62.789 29.412 55.410 1.00 0.00 WT1 O ATOM 16574 H1 TIP3 5376 61.860 29.328 55.624 1.00 0.00 WT1 H ATOM 16575 H2 TIP3 5376 63.123 28.514 55.432 1.00 0.00 WT1 H ATOM 16576 OH2 TIP3 5377 53.398 49.683 35.871 1.00 0.00 WT1 O ATOM 16577 H1 TIP3 5377 54.124 49.820 35.263 1.00 0.00 WT1 H ATOM 16578 H2 TIP3 5377 53.642 50.181 36.652 1.00 0.00 WT1 H ATOM 16579 OH2 TIP3 5378 77.776 87.117 65.049 1.00 0.00 WT1 O ATOM 16580 H1 TIP3 5378 78.214 86.398 65.504 1.00 0.00 WT1 H ATOM 16581 H2 TIP3 5378 78.341 87.876 65.200 1.00 0.00 WT1 H ATOM 16582 OH2 TIP3 5379 82.359 80.299 -11.957 1.00 0.00 WT1 O ATOM 16583 H1 TIP3 5379 81.413 80.151 -11.939 1.00 0.00 WT1 H ATOM 16584 H2 TIP3 5379 82.545 80.760 -11.139 1.00 0.00 WT1 H ATOM 16585 OH2 TIP3 5380 50.366 22.101 17.259 1.00 0.00 WT1 O ATOM 16586 H1 TIP3 5380 49.556 22.220 17.754 1.00 0.00 WT1 H ATOM 16587 H2 TIP3 5380 50.251 22.639 16.476 1.00 0.00 WT1 H ATOM 16588 OH2 TIP3 5381 50.225 34.916 15.438 1.00 0.00 WT1 O ATOM 16589 H1 TIP3 5381 49.273 35.021 15.447 1.00 0.00 WT1 H ATOM 16590 H2 TIP3 5381 50.427 34.495 16.274 1.00 0.00 WT1 H ATOM 16591 OH2 TIP3 5382 32.309 26.778 4.884 1.00 0.00 WT1 O ATOM 16592 H1 TIP3 5382 31.636 26.626 4.221 1.00 0.00 WT1 H ATOM 16593 H2 TIP3 5382 32.050 27.598 5.305 1.00 0.00 WT1 H ATOM 16594 OH2 TIP3 5383 71.238 2.566 -0.793 1.00 0.00 WT1 O ATOM 16595 H1 TIP3 5383 71.404 1.627 -0.717 1.00 0.00 WT1 H ATOM 16596 H2 TIP3 5383 70.436 2.710 -0.290 1.00 0.00 WT1 H ATOM 16597 OH2 TIP3 5384 87.492 41.517 -18.445 1.00 0.00 WT1 O ATOM 16598 H1 TIP3 5384 87.626 42.058 -17.667 1.00 0.00 WT1 H ATOM 16599 H2 TIP3 5384 86.683 41.037 -18.267 1.00 0.00 WT1 H ATOM 16600 OH2 TIP3 5385 34.737 83.170 21.778 1.00 0.00 WT1 O ATOM 16601 H1 TIP3 5385 34.856 82.236 21.608 1.00 0.00 WT1 H ATOM 16602 H2 TIP3 5385 35.564 83.570 21.509 1.00 0.00 WT1 H ATOM 16603 OH2 TIP3 5388 52.032 92.791 47.031 1.00 0.00 WT1 O ATOM 16604 H1 TIP3 5388 51.760 92.708 46.117 1.00 0.00 WT1 H ATOM 16605 H2 TIP3 5388 52.803 93.358 47.001 1.00 0.00 WT1 H ATOM 16606 OH2 TIP3 5389 67.411 28.557 56.635 1.00 0.00 WT1 O ATOM 16607 H1 TIP3 5389 67.312 27.628 56.430 1.00 0.00 WT1 H ATOM 16608 H2 TIP3 5389 66.546 28.830 56.939 1.00 0.00 WT1 H ATOM 16609 OH2 TIP3 5390 76.040 27.837 -1.192 1.00 0.00 WT1 O ATOM 16610 H1 TIP3 5390 76.770 27.313 -1.520 1.00 0.00 WT1 H ATOM 16611 H2 TIP3 5390 75.328 27.208 -1.071 1.00 0.00 WT1 H ATOM 16612 OH2 TIP3 5392 26.828 58.965 26.332 1.00 0.00 WT1 O ATOM 16613 H1 TIP3 5392 26.920 58.205 25.757 1.00 0.00 WT1 H ATOM 16614 H2 TIP3 5392 26.492 58.606 27.152 1.00 0.00 WT1 H ATOM 16615 OH2 TIP3 5393 20.270 37.297 62.703 1.00 0.00 WT1 O ATOM 16616 H1 TIP3 5393 20.439 38.188 63.009 1.00 0.00 WT1 H ATOM 16617 H2 TIP3 5393 21.097 37.016 62.312 1.00 0.00 WT1 H ATOM 16618 OH2 TIP3 5394 33.443 31.373 10.737 1.00 0.00 WT1 O ATOM 16619 H1 TIP3 5394 33.875 32.188 10.991 1.00 0.00 WT1 H ATOM 16620 H2 TIP3 5394 32.603 31.650 10.372 1.00 0.00 WT1 H ATOM 16621 OH2 TIP3 5395 35.099 48.745 53.874 1.00 0.00 WT1 O ATOM 16622 H1 TIP3 5395 35.731 49.375 54.222 1.00 0.00 WT1 H ATOM 16623 H2 TIP3 5395 35.471 48.468 53.037 1.00 0.00 WT1 H ATOM 16624 OH2 TIP3 5396 50.138 76.261 30.377 1.00 0.00 WT1 O ATOM 16625 H1 TIP3 5396 50.854 75.759 30.765 1.00 0.00 WT1 H ATOM 16626 H2 TIP3 5396 49.381 76.070 30.931 1.00 0.00 WT1 H ATOM 16627 OH2 TIP3 5397 28.568 78.033 36.457 1.00 0.00 WT1 O ATOM 16628 H1 TIP3 5397 28.111 78.811 36.137 1.00 0.00 WT1 H ATOM 16629 H2 TIP3 5397 28.472 78.073 37.408 1.00 0.00 WT1 H ATOM 16630 OH2 TIP3 5398 25.864 53.252 18.050 1.00 0.00 WT1 O ATOM 16631 H1 TIP3 5398 26.517 53.910 17.808 1.00 0.00 WT1 H ATOM 16632 H2 TIP3 5398 26.034 52.518 17.460 1.00 0.00 WT1 H ATOM 16633 OH2 TIP3 5399 49.113 1.081 0.529 1.00 0.00 WT1 O ATOM 16634 H1 TIP3 5399 48.745 0.200 0.457 1.00 0.00 WT1 H ATOM 16635 H2 TIP3 5399 50.059 0.950 0.479 1.00 0.00 WT1 H ATOM 16636 OH2 TIP3 5400 31.752 29.295 6.373 1.00 0.00 WT1 O ATOM 16637 H1 TIP3 5400 31.779 29.289 7.330 1.00 0.00 WT1 H ATOM 16638 H2 TIP3 5400 31.172 30.023 6.154 1.00 0.00 WT1 H ATOM 16639 OH2 TIP3 5402 30.044 2.060 -10.670 1.00 0.00 WT1 O ATOM 16640 H1 TIP3 5402 29.493 2.812 -10.886 1.00 0.00 WT1 H ATOM 16641 H2 TIP3 5402 30.306 1.703 -11.519 1.00 0.00 WT1 H ATOM 16642 OH2 TIP3 5403 38.615 24.084 12.469 1.00 0.00 WT1 O ATOM 16643 H1 TIP3 5403 38.804 24.968 12.156 1.00 0.00 WT1 H ATOM 16644 H2 TIP3 5403 39.438 23.783 12.853 1.00 0.00 WT1 H ATOM 16645 OH2 TIP3 5404 20.187 24.501 -15.880 1.00 0.00 WT1 O ATOM 16646 H1 TIP3 5404 20.532 24.954 -15.111 1.00 0.00 WT1 H ATOM 16647 H2 TIP3 5404 20.814 24.699 -16.576 1.00 0.00 WT1 H ATOM 16648 OH2 TIP3 5406 72.333 30.937 38.284 1.00 0.00 WT1 O ATOM 16649 H1 TIP3 5406 71.847 30.255 38.748 1.00 0.00 WT1 H ATOM 16650 H2 TIP3 5406 71.658 31.526 37.946 1.00 0.00 WT1 H ATOM 16651 OH2 TIP3 5408 59.466 7.355 -14.026 1.00 0.00 WT1 O ATOM 16652 H1 TIP3 5408 60.294 6.878 -14.089 1.00 0.00 WT1 H ATOM 16653 H2 TIP3 5408 59.680 8.244 -14.308 1.00 0.00 WT1 H ATOM 16654 OH2 TIP3 5410 86.776 71.484 43.087 1.00 0.00 WT1 O ATOM 16655 H1 TIP3 5410 86.181 71.485 43.837 1.00 0.00 WT1 H ATOM 16656 H2 TIP3 5410 87.316 70.703 43.209 1.00 0.00 WT1 H ATOM 16657 OH2 TIP3 5411 89.983 85.684 22.495 1.00 0.00 WT1 O ATOM 16658 H1 TIP3 5411 89.299 85.414 23.108 1.00 0.00 WT1 H ATOM 16659 H2 TIP3 5411 90.641 84.991 22.549 1.00 0.00 WT1 H ATOM 16660 OH2 TIP3 5412 75.323 58.801 20.465 1.00 0.00 WT1 O ATOM 16661 H1 TIP3 5412 75.777 59.373 19.847 1.00 0.00 WT1 H ATOM 16662 H2 TIP3 5412 74.400 59.039 20.380 1.00 0.00 WT1 H ATOM 16663 OH2 TIP3 5413 88.575 3.768 36.652 1.00 0.00 WT1 O ATOM 16664 H1 TIP3 5413 88.444 3.026 36.062 1.00 0.00 WT1 H ATOM 16665 H2 TIP3 5413 89.068 4.403 36.132 1.00 0.00 WT1 H ATOM 16666 OH2 TIP3 5414 29.926 26.701 46.355 1.00 0.00 WT1 O ATOM 16667 H1 TIP3 5414 30.742 26.692 45.855 1.00 0.00 WT1 H ATOM 16668 H2 TIP3 5414 29.960 25.904 46.884 1.00 0.00 WT1 H ATOM 16669 OH2 TIP3 5415 31.830 55.508 -2.173 1.00 0.00 WT1 O ATOM 16670 H1 TIP3 5415 32.272 55.470 -1.325 1.00 0.00 WT1 H ATOM 16671 H2 TIP3 5415 31.429 54.645 -2.274 1.00 0.00 WT1 H ATOM 16672 OH2 TIP3 5416 82.138 31.515 61.740 1.00 0.00 WT1 O ATOM 16673 H1 TIP3 5416 81.490 31.668 62.428 1.00 0.00 WT1 H ATOM 16674 H2 TIP3 5416 82.297 32.381 61.364 1.00 0.00 WT1 H ATOM 16675 OH2 TIP3 5417 68.199 86.182 49.333 1.00 0.00 WT1 O ATOM 16676 H1 TIP3 5417 67.603 85.816 49.987 1.00 0.00 WT1 H ATOM 16677 H2 TIP3 5417 67.762 86.028 48.496 1.00 0.00 WT1 H ATOM 16678 OH2 TIP3 5418 57.169 43.023 -4.460 1.00 0.00 WT1 O ATOM 16679 H1 TIP3 5418 56.549 43.328 -3.798 1.00 0.00 WT1 H ATOM 16680 H2 TIP3 5418 57.740 42.414 -3.992 1.00 0.00 WT1 H ATOM 16681 OH2 TIP3 5419 76.490 35.496 49.374 1.00 0.00 WT1 O ATOM 16682 H1 TIP3 5419 75.639 35.298 48.981 1.00 0.00 WT1 H ATOM 16683 H2 TIP3 5419 77.016 34.712 49.213 1.00 0.00 WT1 H ATOM 16684 OH2 TIP3 5420 70.112 38.613 11.879 1.00 0.00 WT1 O ATOM 16685 H1 TIP3 5420 69.954 38.403 10.959 1.00 0.00 WT1 H ATOM 16686 H2 TIP3 5420 69.290 38.398 12.319 1.00 0.00 WT1 H ATOM 16687 OH2 TIP3 5421 89.063 28.111 37.043 1.00 0.00 WT1 O ATOM 16688 H1 TIP3 5421 88.899 28.643 36.265 1.00 0.00 WT1 H ATOM 16689 H2 TIP3 5421 88.942 27.208 36.747 1.00 0.00 WT1 H ATOM 16690 OH2 TIP3 5422 36.923 76.200 -8.521 1.00 0.00 WT1 O ATOM 16691 H1 TIP3 5422 36.895 76.802 -7.777 1.00 0.00 WT1 H ATOM 16692 H2 TIP3 5422 37.661 75.621 -8.333 1.00 0.00 WT1 H ATOM 16693 OH2 TIP3 5424 32.349 94.258 -1.066 1.00 0.00 WT1 O ATOM 16694 H1 TIP3 5424 32.333 93.371 -0.705 1.00 0.00 WT1 H ATOM 16695 H2 TIP3 5424 33.085 94.254 -1.678 1.00 0.00 WT1 H ATOM 16696 OH2 TIP3 5425 89.486 35.011 6.507 1.00 0.00 WT1 O ATOM 16697 H1 TIP3 5425 89.568 35.796 7.048 1.00 0.00 WT1 H ATOM 16698 H2 TIP3 5425 90.027 34.357 6.948 1.00 0.00 WT1 H ATOM 16699 OH2 TIP3 5426 66.848 70.758 0.519 1.00 0.00 WT1 O ATOM 16700 H1 TIP3 5426 67.512 71.264 0.052 1.00 0.00 WT1 H ATOM 16701 H2 TIP3 5426 66.041 70.910 0.027 1.00 0.00 WT1 H ATOM 16702 OH2 TIP3 5427 24.526 41.045 -9.973 1.00 0.00 WT1 O ATOM 16703 H1 TIP3 5427 25.018 41.702 -9.481 1.00 0.00 WT1 H ATOM 16704 H2 TIP3 5427 23.857 40.739 -9.360 1.00 0.00 WT1 H ATOM 16705 OH2 TIP3 5428 74.002 12.005 -12.465 1.00 0.00 WT1 O ATOM 16706 H1 TIP3 5428 73.066 11.814 -12.400 1.00 0.00 WT1 H ATOM 16707 H2 TIP3 5428 74.287 11.543 -13.254 1.00 0.00 WT1 H ATOM 16708 OH2 TIP3 5429 56.118 44.653 34.313 1.00 0.00 WT1 O ATOM 16709 H1 TIP3 5429 55.623 44.588 33.497 1.00 0.00 WT1 H ATOM 16710 H2 TIP3 5429 56.344 45.580 34.384 1.00 0.00 WT1 H ATOM 16711 OH2 TIP3 5430 89.818 89.198 -2.218 1.00 0.00 WT1 O ATOM 16712 H1 TIP3 5430 89.301 89.173 -3.023 1.00 0.00 WT1 H ATOM 16713 H2 TIP3 5430 89.409 89.885 -1.692 1.00 0.00 WT1 H ATOM 16714 OH2 TIP3 5431 83.231 37.126 19.933 1.00 0.00 WT1 O ATOM 16715 H1 TIP3 5431 83.389 37.300 19.005 1.00 0.00 WT1 H ATOM 16716 H2 TIP3 5431 82.297 36.923 19.984 1.00 0.00 WT1 H ATOM 16717 OH2 TIP3 5432 51.626 82.205 59.286 1.00 0.00 WT1 O ATOM 16718 H1 TIP3 5432 51.032 82.472 59.987 1.00 0.00 WT1 H ATOM 16719 H2 TIP3 5432 52.390 81.849 59.740 1.00 0.00 WT1 H ATOM 16720 OH2 TIP3 5433 36.297 33.449 14.882 1.00 0.00 WT1 O ATOM 16721 H1 TIP3 5433 36.876 33.398 15.642 1.00 0.00 WT1 H ATOM 16722 H2 TIP3 5433 36.470 34.312 14.506 1.00 0.00 WT1 H ATOM 16723 OH2 TIP3 5434 57.216 5.831 37.011 1.00 0.00 WT1 O ATOM 16724 H1 TIP3 5434 58.126 5.576 36.855 1.00 0.00 WT1 H ATOM 16725 H2 TIP3 5434 56.943 5.300 37.759 1.00 0.00 WT1 H ATOM 16726 OH2 TIP3 5435 51.253 21.552 38.619 1.00 0.00 WT1 O ATOM 16727 H1 TIP3 5435 51.247 21.246 39.526 1.00 0.00 WT1 H ATOM 16728 H2 TIP3 5435 50.806 20.862 38.130 1.00 0.00 WT1 H ATOM 16729 OH2 TIP3 5436 32.179 72.123 61.603 1.00 0.00 WT1 O ATOM 16730 H1 TIP3 5436 31.242 72.109 61.799 1.00 0.00 WT1 H ATOM 16731 H2 TIP3 5436 32.400 71.209 61.424 1.00 0.00 WT1 H ATOM 16732 OH2 TIP3 5437 54.467 42.013 63.429 1.00 0.00 WT1 O ATOM 16733 H1 TIP3 5437 55.112 42.709 63.558 1.00 0.00 WT1 H ATOM 16734 H2 TIP3 5437 54.172 41.793 64.312 1.00 0.00 WT1 H ATOM 16735 OH2 TIP3 5438 34.192 27.125 62.510 1.00 0.00 WT1 O ATOM 16736 H1 TIP3 5438 34.568 26.419 63.035 1.00 0.00 WT1 H ATOM 16737 H2 TIP3 5438 34.073 26.742 61.641 1.00 0.00 WT1 H ATOM 16738 OH2 TIP3 5439 69.077 44.496 32.796 1.00 0.00 WT1 O ATOM 16739 H1 TIP3 5439 68.829 45.418 32.722 1.00 0.00 WT1 H ATOM 16740 H2 TIP3 5439 68.842 44.116 31.949 1.00 0.00 WT1 H ATOM 16741 OH2 TIP3 5440 76.426 20.142 -2.242 1.00 0.00 WT1 O ATOM 16742 H1 TIP3 5440 76.625 20.981 -1.826 1.00 0.00 WT1 H ATOM 16743 H2 TIP3 5440 77.176 19.973 -2.813 1.00 0.00 WT1 H ATOM 16744 OH2 TIP3 5441 59.092 20.903 56.336 1.00 0.00 WT1 O ATOM 16745 H1 TIP3 5441 59.451 21.788 56.405 1.00 0.00 WT1 H ATOM 16746 H2 TIP3 5441 58.156 21.010 56.510 1.00 0.00 WT1 H ATOM 16747 OH2 TIP3 5442 56.631 86.597 8.105 1.00 0.00 WT1 O ATOM 16748 H1 TIP3 5442 57.358 85.986 8.224 1.00 0.00 WT1 H ATOM 16749 H2 TIP3 5442 56.992 87.298 7.562 1.00 0.00 WT1 H ATOM 16750 OH2 TIP3 5444 87.520 94.973 -13.402 1.00 0.00 WT1 O ATOM 16751 H1 TIP3 5444 86.838 95.611 -13.615 1.00 0.00 WT1 H ATOM 16752 H2 TIP3 5444 88.058 94.924 -14.192 1.00 0.00 WT1 H ATOM 16753 OH2 TIP3 5445 26.289 37.848 14.762 1.00 0.00 WT1 O ATOM 16754 H1 TIP3 5445 26.357 37.017 14.293 1.00 0.00 WT1 H ATOM 16755 H2 TIP3 5445 27.109 37.916 15.251 1.00 0.00 WT1 H ATOM 16756 OH2 TIP3 5446 46.062 17.999 -13.192 1.00 0.00 WT1 O ATOM 16757 H1 TIP3 5446 45.160 17.709 -13.323 1.00 0.00 WT1 H ATOM 16758 H2 TIP3 5446 46.141 18.789 -13.726 1.00 0.00 WT1 H ATOM 16759 OH2 TIP3 5447 67.863 80.765 56.132 1.00 0.00 WT1 O ATOM 16760 H1 TIP3 5447 67.076 81.294 56.264 1.00 0.00 WT1 H ATOM 16761 H2 TIP3 5447 68.253 80.694 57.004 1.00 0.00 WT1 H ATOM 16762 OH2 TIP3 5448 20.754 17.086 -4.216 1.00 0.00 WT1 O ATOM 16763 H1 TIP3 5448 21.032 16.181 -4.076 1.00 0.00 WT1 H ATOM 16764 H2 TIP3 5448 21.068 17.301 -5.095 1.00 0.00 WT1 H ATOM 16765 OH2 TIP3 5449 22.593 22.742 46.234 1.00 0.00 WT1 O ATOM 16766 H1 TIP3 5449 22.960 22.806 45.352 1.00 0.00 WT1 H ATOM 16767 H2 TIP3 5449 23.300 23.032 46.810 1.00 0.00 WT1 H ATOM 16768 OH2 TIP3 5450 21.627 49.619 24.795 1.00 0.00 WT1 O ATOM 16769 H1 TIP3 5450 20.738 49.785 24.482 1.00 0.00 WT1 H ATOM 16770 H2 TIP3 5450 22.190 49.880 24.066 1.00 0.00 WT1 H ATOM 16771 OH2 TIP3 5451 77.806 30.652 -6.631 1.00 0.00 WT1 O ATOM 16772 H1 TIP3 5451 78.732 30.418 -6.574 1.00 0.00 WT1 H ATOM 16773 H2 TIP3 5451 77.341 29.834 -6.455 1.00 0.00 WT1 H ATOM 16774 OH2 TIP3 5452 21.117 29.149 55.560 1.00 0.00 WT1 O ATOM 16775 H1 TIP3 5452 20.731 28.450 55.032 1.00 0.00 WT1 H ATOM 16776 H2 TIP3 5452 20.424 29.804 55.636 1.00 0.00 WT1 H ATOM 16777 OH2 TIP3 5454 59.865 34.044 1.001 1.00 0.00 WT1 O ATOM 16778 H1 TIP3 5454 59.975 34.961 1.252 1.00 0.00 WT1 H ATOM 16779 H2 TIP3 5454 59.233 34.067 0.282 1.00 0.00 WT1 H ATOM 16780 OH2 TIP3 5456 75.179 65.792 49.289 1.00 0.00 WT1 O ATOM 16781 H1 TIP3 5456 74.258 65.654 49.065 1.00 0.00 WT1 H ATOM 16782 H2 TIP3 5456 75.561 66.179 48.501 1.00 0.00 WT1 H ATOM 16783 OH2 TIP3 5458 89.648 74.408 -8.455 1.00 0.00 WT1 O ATOM 16784 H1 TIP3 5458 89.614 73.879 -9.252 1.00 0.00 WT1 H ATOM 16785 H2 TIP3 5458 89.777 73.773 -7.751 1.00 0.00 WT1 H ATOM 16786 OH2 TIP3 5459 32.199 11.701 13.764 1.00 0.00 WT1 O ATOM 16787 H1 TIP3 5459 31.688 12.406 14.161 1.00 0.00 WT1 H ATOM 16788 H2 TIP3 5459 32.350 11.991 12.864 1.00 0.00 WT1 H ATOM 16789 OH2 TIP3 5460 39.540 29.046 6.063 1.00 0.00 WT1 O ATOM 16790 H1 TIP3 5460 39.313 29.734 6.688 1.00 0.00 WT1 H ATOM 16791 H2 TIP3 5460 40.350 29.351 5.654 1.00 0.00 WT1 H ATOM 16792 OH2 TIP3 5461 85.004 18.546 67.164 1.00 0.00 WT1 O ATOM 16793 H1 TIP3 5461 85.796 18.057 67.390 1.00 0.00 WT1 H ATOM 16794 H2 TIP3 5461 84.759 18.220 66.299 1.00 0.00 WT1 H ATOM 16795 OH2 TIP3 5462 61.001 5.272 -8.701 1.00 0.00 WT1 O ATOM 16796 H1 TIP3 5462 60.815 4.662 -7.987 1.00 0.00 WT1 H ATOM 16797 H2 TIP3 5462 61.821 4.956 -9.079 1.00 0.00 WT1 H ATOM 16798 OH2 TIP3 5463 85.752 7.629 -11.665 1.00 0.00 WT1 O ATOM 16799 H1 TIP3 5463 84.906 7.569 -11.221 1.00 0.00 WT1 H ATOM 16800 H2 TIP3 5463 86.025 6.720 -11.785 1.00 0.00 WT1 H ATOM 16801 OH2 TIP3 5464 36.447 58.445 -15.923 1.00 0.00 WT1 O ATOM 16802 H1 TIP3 5464 36.824 57.566 -15.968 1.00 0.00 WT1 H ATOM 16803 H2 TIP3 5464 36.749 58.793 -15.085 1.00 0.00 WT1 H ATOM 16804 OH2 TIP3 5465 47.454 57.234 6.996 1.00 0.00 WT1 O ATOM 16805 H1 TIP3 5465 47.826 58.085 6.765 1.00 0.00 WT1 H ATOM 16806 H2 TIP3 5465 47.712 57.099 7.908 1.00 0.00 WT1 H ATOM 16807 OH2 TIP3 5466 36.599 38.769 17.728 1.00 0.00 WT1 O ATOM 16808 H1 TIP3 5466 37.249 38.589 17.048 1.00 0.00 WT1 H ATOM 16809 H2 TIP3 5466 36.791 38.134 18.418 1.00 0.00 WT1 H ATOM 16810 OH2 TIP3 5467 89.932 37.816 14.600 1.00 0.00 WT1 O ATOM 16811 H1 TIP3 5467 89.975 37.977 15.542 1.00 0.00 WT1 H ATOM 16812 H2 TIP3 5467 89.313 37.092 14.507 1.00 0.00 WT1 H ATOM 16813 OH2 TIP3 5468 25.129 17.208 42.694 1.00 0.00 WT1 O ATOM 16814 H1 TIP3 5468 25.542 17.621 41.935 1.00 0.00 WT1 H ATOM 16815 H2 TIP3 5468 24.259 16.956 42.386 1.00 0.00 WT1 H ATOM 16816 OH2 TIP3 5469 78.441 14.041 -18.181 1.00 0.00 WT1 O ATOM 16817 H1 TIP3 5469 77.737 14.087 -18.828 1.00 0.00 WT1 H ATOM 16818 H2 TIP3 5469 78.471 13.120 -17.924 1.00 0.00 WT1 H ATOM 16819 OH2 TIP3 5471 71.159 36.922 37.601 1.00 0.00 WT1 O ATOM 16820 H1 TIP3 5471 70.682 37.021 36.777 1.00 0.00 WT1 H ATOM 16821 H2 TIP3 5471 71.530 36.041 37.559 1.00 0.00 WT1 H ATOM 16822 OH2 TIP3 5474 68.921 83.224 43.265 1.00 0.00 WT1 O ATOM 16823 H1 TIP3 5474 68.462 83.189 44.104 1.00 0.00 WT1 H ATOM 16824 H2 TIP3 5474 68.872 82.330 42.927 1.00 0.00 WT1 H ATOM 16825 OH2 TIP3 5476 64.927 68.994 14.154 1.00 0.00 WT1 O ATOM 16826 H1 TIP3 5476 65.676 68.737 14.691 1.00 0.00 WT1 H ATOM 16827 H2 TIP3 5476 64.834 68.285 13.517 1.00 0.00 WT1 H ATOM 16828 OH2 TIP3 5477 87.003 46.215 19.716 1.00 0.00 WT1 O ATOM 16829 H1 TIP3 5477 86.334 46.811 19.379 1.00 0.00 WT1 H ATOM 16830 H2 TIP3 5477 87.359 45.789 18.936 1.00 0.00 WT1 H ATOM 16831 OH2 TIP3 5478 39.660 5.116 60.171 1.00 0.00 WT1 O ATOM 16832 H1 TIP3 5478 39.300 4.604 59.447 1.00 0.00 WT1 H ATOM 16833 H2 TIP3 5478 40.416 5.566 59.794 1.00 0.00 WT1 H ATOM 16834 OH2 TIP3 5479 65.643 94.953 56.599 1.00 0.00 WT1 O ATOM 16835 H1 TIP3 5479 66.196 94.788 55.836 1.00 0.00 WT1 H ATOM 16836 H2 TIP3 5479 66.084 94.499 57.318 1.00 0.00 WT1 H ATOM 16837 OH2 TIP3 5480 71.854 80.259 64.068 1.00 0.00 WT1 O ATOM 16838 H1 TIP3 5480 72.379 79.932 63.337 1.00 0.00 WT1 H ATOM 16839 H2 TIP3 5480 72.160 79.759 64.825 1.00 0.00 WT1 H ATOM 16840 OH2 TIP3 5481 74.914 86.253 26.823 1.00 0.00 WT1 O ATOM 16841 H1 TIP3 5481 74.648 87.080 26.420 1.00 0.00 WT1 H ATOM 16842 H2 TIP3 5481 74.826 86.405 27.764 1.00 0.00 WT1 H ATOM 16843 OH2 TIP3 5482 79.824 69.166 -18.372 1.00 0.00 WT1 O ATOM 16844 H1 TIP3 5482 79.415 68.301 -18.400 1.00 0.00 WT1 H ATOM 16845 H2 TIP3 5482 79.518 69.550 -17.550 1.00 0.00 WT1 H ATOM 16846 OH2 TIP3 5483 73.708 31.266 8.125 1.00 0.00 WT1 O ATOM 16847 H1 TIP3 5483 73.231 31.907 8.652 1.00 0.00 WT1 H ATOM 16848 H2 TIP3 5483 73.991 30.602 8.753 1.00 0.00 WT1 H ATOM 16849 OH2 TIP3 5484 51.463 93.887 63.030 1.00 0.00 WT1 O ATOM 16850 H1 TIP3 5484 51.392 94.821 63.228 1.00 0.00 WT1 H ATOM 16851 H2 TIP3 5484 51.014 93.453 63.756 1.00 0.00 WT1 H ATOM 16852 OH2 TIP3 5485 63.838 26.976 16.517 1.00 0.00 WT1 O ATOM 16853 H1 TIP3 5485 63.891 27.156 15.579 1.00 0.00 WT1 H ATOM 16854 H2 TIP3 5485 64.047 27.813 16.934 1.00 0.00 WT1 H ATOM 16855 OH2 TIP3 5486 78.390 31.660 13.817 1.00 0.00 WT1 O ATOM 16856 H1 TIP3 5486 78.737 32.093 13.038 1.00 0.00 WT1 H ATOM 16857 H2 TIP3 5486 77.957 30.874 13.483 1.00 0.00 WT1 H ATOM 16858 OH2 TIP3 5487 66.877 41.018 -19.533 1.00 0.00 WT1 O ATOM 16859 H1 TIP3 5487 66.275 40.362 -19.181 1.00 0.00 WT1 H ATOM 16860 H2 TIP3 5487 67.267 40.599 -20.300 1.00 0.00 WT1 H ATOM 16861 OH2 TIP3 5488 87.228 32.812 16.215 1.00 0.00 WT1 O ATOM 16862 H1 TIP3 5488 87.351 31.940 16.590 1.00 0.00 WT1 H ATOM 16863 H2 TIP3 5488 86.419 33.133 16.615 1.00 0.00 WT1 H ATOM 16864 OH2 TIP3 5489 71.183 26.920 24.078 1.00 0.00 WT1 O ATOM 16865 H1 TIP3 5489 70.817 26.059 23.874 1.00 0.00 WT1 H ATOM 16866 H2 TIP3 5489 70.999 27.449 23.302 1.00 0.00 WT1 H ATOM 16867 OH2 TIP3 5491 82.812 58.581 46.436 1.00 0.00 WT1 O ATOM 16868 H1 TIP3 5491 82.979 59.310 47.033 1.00 0.00 WT1 H ATOM 16869 H2 TIP3 5491 81.858 58.510 46.405 1.00 0.00 WT1 H ATOM 16870 OH2 TIP3 5492 83.550 92.697 28.812 1.00 0.00 WT1 O ATOM 16871 H1 TIP3 5492 83.540 91.932 28.236 1.00 0.00 WT1 H ATOM 16872 H2 TIP3 5492 84.263 93.241 28.477 1.00 0.00 WT1 H ATOM 16873 OH2 TIP3 5493 52.197 38.502 -6.444 1.00 0.00 WT1 O ATOM 16874 H1 TIP3 5493 52.921 37.890 -6.313 1.00 0.00 WT1 H ATOM 16875 H2 TIP3 5493 51.692 38.126 -7.165 1.00 0.00 WT1 H ATOM 16876 OH2 TIP3 5494 83.541 62.550 50.903 1.00 0.00 WT1 O ATOM 16877 H1 TIP3 5494 83.710 62.870 50.017 1.00 0.00 WT1 H ATOM 16878 H2 TIP3 5494 83.418 61.607 50.798 1.00 0.00 WT1 H ATOM 16879 OH2 TIP3 5495 64.161 50.942 36.591 1.00 0.00 WT1 O ATOM 16880 H1 TIP3 5495 64.045 50.737 35.663 1.00 0.00 WT1 H ATOM 16881 H2 TIP3 5495 63.341 51.363 36.848 1.00 0.00 WT1 H ATOM 16882 OH2 TIP3 5496 52.916 92.625 -2.037 1.00 0.00 WT1 O ATOM 16883 H1 TIP3 5496 52.506 92.245 -2.814 1.00 0.00 WT1 H ATOM 16884 H2 TIP3 5496 52.204 92.702 -1.402 1.00 0.00 WT1 H ATOM 16885 OH2 TIP3 5497 72.341 85.723 3.929 1.00 0.00 WT1 O ATOM 16886 H1 TIP3 5497 72.666 85.550 3.046 1.00 0.00 WT1 H ATOM 16887 H2 TIP3 5497 71.388 85.685 3.847 1.00 0.00 WT1 H ATOM 16888 OH2 TIP3 5498 40.893 86.133 3.033 1.00 0.00 WT1 O ATOM 16889 H1 TIP3 5498 40.189 85.658 3.475 1.00 0.00 WT1 H ATOM 16890 H2 TIP3 5498 41.160 86.805 3.660 1.00 0.00 WT1 H ATOM 16891 OH2 TIP3 5500 37.447 45.351 56.242 1.00 0.00 WT1 O ATOM 16892 H1 TIP3 5500 37.511 44.682 55.561 1.00 0.00 WT1 H ATOM 16893 H2 TIP3 5500 37.632 44.883 57.057 1.00 0.00 WT1 H ATOM 16894 OH2 TIP3 5503 77.090 75.681 54.018 1.00 0.00 WT1 O ATOM 16895 H1 TIP3 5503 76.166 75.578 53.789 1.00 0.00 WT1 H ATOM 16896 H2 TIP3 5503 77.257 74.991 54.659 1.00 0.00 WT1 H ATOM 16897 OH2 TIP3 5504 63.364 24.958 18.330 1.00 0.00 WT1 O ATOM 16898 H1 TIP3 5504 63.359 25.634 17.652 1.00 0.00 WT1 H ATOM 16899 H2 TIP3 5504 62.655 25.208 18.923 1.00 0.00 WT1 H ATOM 16900 OH2 TIP3 5505 88.247 43.404 -0.977 1.00 0.00 WT1 O ATOM 16901 H1 TIP3 5505 87.559 44.012 -0.705 1.00 0.00 WT1 H ATOM 16902 H2 TIP3 5505 88.386 43.599 -1.904 1.00 0.00 WT1 H ATOM 16903 OH2 TIP3 5506 50.572 10.033 -3.287 1.00 0.00 WT1 O ATOM 16904 H1 TIP3 5506 50.681 9.082 -3.279 1.00 0.00 WT1 H ATOM 16905 H2 TIP3 5506 49.783 10.188 -2.768 1.00 0.00 WT1 H ATOM 16906 OH2 TIP3 5507 32.266 35.630 28.092 1.00 0.00 WT1 O ATOM 16907 H1 TIP3 5507 32.866 35.445 27.370 1.00 0.00 WT1 H ATOM 16908 H2 TIP3 5507 31.640 36.256 27.729 1.00 0.00 WT1 H ATOM 16909 OH2 TIP3 5510 22.365 82.836 -10.242 1.00 0.00 WT1 O ATOM 16910 H1 TIP3 5510 22.261 81.967 -10.628 1.00 0.00 WT1 H ATOM 16911 H2 TIP3 5510 23.251 82.834 -9.880 1.00 0.00 WT1 H ATOM 16912 OH2 TIP3 5511 60.593 15.975 4.475 1.00 0.00 WT1 O ATOM 16913 H1 TIP3 5511 60.456 16.879 4.757 1.00 0.00 WT1 H ATOM 16914 H2 TIP3 5511 59.963 15.466 4.985 1.00 0.00 WT1 H ATOM 16915 OH2 TIP3 5512 43.285 32.787 42.974 1.00 0.00 WT1 O ATOM 16916 H1 TIP3 5512 42.757 33.192 42.286 1.00 0.00 WT1 H ATOM 16917 H2 TIP3 5512 43.892 33.474 43.248 1.00 0.00 WT1 H ATOM 16918 OH2 TIP3 5513 84.037 21.440 38.497 1.00 0.00 WT1 O ATOM 16919 H1 TIP3 5513 83.679 22.327 38.464 1.00 0.00 WT1 H ATOM 16920 H2 TIP3 5513 84.974 21.554 38.338 1.00 0.00 WT1 H ATOM 16921 OH2 TIP3 5515 74.000 43.285 14.382 1.00 0.00 WT1 O ATOM 16922 H1 TIP3 5515 74.064 42.717 15.150 1.00 0.00 WT1 H ATOM 16923 H2 TIP3 5515 73.818 44.154 14.741 1.00 0.00 WT1 H ATOM 16924 OH2 TIP3 5516 22.118 56.142 29.021 1.00 0.00 WT1 O ATOM 16925 H1 TIP3 5516 22.396 55.536 28.335 1.00 0.00 WT1 H ATOM 16926 H2 TIP3 5516 22.087 56.996 28.589 1.00 0.00 WT1 H ATOM 16927 OH2 TIP3 5517 23.145 39.873 15.002 1.00 0.00 WT1 O ATOM 16928 H1 TIP3 5517 24.029 39.533 15.142 1.00 0.00 WT1 H ATOM 16929 H2 TIP3 5517 23.147 40.178 14.095 1.00 0.00 WT1 H ATOM 16930 OH2 TIP3 5519 63.981 17.137 57.100 1.00 0.00 WT1 O ATOM 16931 H1 TIP3 5519 63.836 16.272 57.483 1.00 0.00 WT1 H ATOM 16932 H2 TIP3 5519 64.040 16.975 56.158 1.00 0.00 WT1 H ATOM 16933 OH2 TIP3 5521 90.308 69.107 14.243 1.00 0.00 WT1 O ATOM 16934 H1 TIP3 5521 90.038 68.420 13.633 1.00 0.00 WT1 H ATOM 16935 H2 TIP3 5521 90.839 69.703 13.714 1.00 0.00 WT1 H ATOM 16936 OH2 TIP3 5522 45.919 43.951 6.407 1.00 0.00 WT1 O ATOM 16937 H1 TIP3 5522 45.212 44.593 6.475 1.00 0.00 WT1 H ATOM 16938 H2 TIP3 5522 46.337 43.962 7.268 1.00 0.00 WT1 H ATOM 16939 OH2 TIP3 5523 85.084 86.471 -16.481 1.00 0.00 WT1 O ATOM 16940 H1 TIP3 5523 85.862 86.063 -16.862 1.00 0.00 WT1 H ATOM 16941 H2 TIP3 5523 85.128 86.248 -15.551 1.00 0.00 WT1 H ATOM 16942 OH2 TIP3 5524 73.383 23.587 8.876 1.00 0.00 WT1 O ATOM 16943 H1 TIP3 5524 72.657 23.560 8.254 1.00 0.00 WT1 H ATOM 16944 H2 TIP3 5524 74.115 23.949 8.375 1.00 0.00 WT1 H ATOM 16945 OH2 TIP3 5525 44.468 12.942 -15.104 1.00 0.00 WT1 O ATOM 16946 H1 TIP3 5525 44.903 12.381 -14.462 1.00 0.00 WT1 H ATOM 16947 H2 TIP3 5525 45.130 13.091 -15.780 1.00 0.00 WT1 H ATOM 16948 OH2 TIP3 5526 76.398 51.080 38.780 1.00 0.00 WT1 O ATOM 16949 H1 TIP3 5526 75.597 51.563 38.575 1.00 0.00 WT1 H ATOM 16950 H2 TIP3 5526 76.837 50.975 37.936 1.00 0.00 WT1 H ATOM 16951 OH2 TIP3 5527 62.359 35.714 59.336 1.00 0.00 WT1 O ATOM 16952 H1 TIP3 5527 61.506 35.340 59.558 1.00 0.00 WT1 H ATOM 16953 H2 TIP3 5527 62.289 35.934 58.407 1.00 0.00 WT1 H ATOM 16954 OH2 TIP3 5528 77.340 36.825 6.898 1.00 0.00 WT1 O ATOM 16955 H1 TIP3 5528 77.271 36.092 6.285 1.00 0.00 WT1 H ATOM 16956 H2 TIP3 5528 76.434 37.060 7.094 1.00 0.00 WT1 H ATOM 16957 OH2 TIP3 5529 69.037 49.243 44.454 1.00 0.00 WT1 O ATOM 16958 H1 TIP3 5529 68.343 48.585 44.424 1.00 0.00 WT1 H ATOM 16959 H2 TIP3 5529 68.875 49.799 43.692 1.00 0.00 WT1 H ATOM 16960 OH2 TIP3 5530 70.987 27.299 27.045 1.00 0.00 WT1 O ATOM 16961 H1 TIP3 5530 71.749 27.861 26.900 1.00 0.00 WT1 H ATOM 16962 H2 TIP3 5530 70.901 26.798 26.234 1.00 0.00 WT1 H ATOM 16963 OH2 TIP3 5531 49.709 7.880 46.274 1.00 0.00 WT1 O ATOM 16964 H1 TIP3 5531 49.217 7.338 45.658 1.00 0.00 WT1 H ATOM 16965 H2 TIP3 5531 49.041 8.389 46.732 1.00 0.00 WT1 H ATOM 16966 OH2 TIP3 5532 87.675 39.844 66.073 1.00 0.00 WT1 O ATOM 16967 H1 TIP3 5532 87.506 40.547 66.701 1.00 0.00 WT1 H ATOM 16968 H2 TIP3 5532 86.808 39.501 65.857 1.00 0.00 WT1 H ATOM 16969 OH2 TIP3 5533 24.941 77.173 -11.397 1.00 0.00 WT1 O ATOM 16970 H1 TIP3 5533 24.756 77.814 -10.710 1.00 0.00 WT1 H ATOM 16971 H2 TIP3 5533 25.878 77.269 -11.568 1.00 0.00 WT1 H ATOM 16972 OH2 TIP3 5534 85.413 29.456 37.247 1.00 0.00 WT1 O ATOM 16973 H1 TIP3 5534 84.597 29.252 36.790 1.00 0.00 WT1 H ATOM 16974 H2 TIP3 5534 85.666 28.633 37.666 1.00 0.00 WT1 H ATOM 16975 OH2 TIP3 5535 29.473 70.816 44.657 1.00 0.00 WT1 O ATOM 16976 H1 TIP3 5535 30.118 71.516 44.760 1.00 0.00 WT1 H ATOM 16977 H2 TIP3 5535 29.518 70.584 43.729 1.00 0.00 WT1 H ATOM 16978 OH2 TIP3 5536 38.178 52.218 7.916 1.00 0.00 WT1 O ATOM 16979 H1 TIP3 5536 39.128 52.301 8.006 1.00 0.00 WT1 H ATOM 16980 H2 TIP3 5536 38.001 51.292 8.086 1.00 0.00 WT1 H ATOM 16981 OH2 TIP3 5538 76.204 19.351 -9.953 1.00 0.00 WT1 O ATOM 16982 H1 TIP3 5538 77.022 19.564 -10.402 1.00 0.00 WT1 H ATOM 16983 H2 TIP3 5538 76.121 20.021 -9.274 1.00 0.00 WT1 H ATOM 16984 OH2 TIP3 5543 31.450 49.077 66.522 1.00 0.00 WT1 O ATOM 16985 H1 TIP3 5543 31.283 49.085 67.465 1.00 0.00 WT1 H ATOM 16986 H2 TIP3 5543 31.822 48.212 66.352 1.00 0.00 WT1 H ATOM 16987 OH2 TIP3 5544 75.061 63.925 39.777 1.00 0.00 WT1 O ATOM 16988 H1 TIP3 5544 75.259 64.682 39.226 1.00 0.00 WT1 H ATOM 16989 H2 TIP3 5544 74.115 63.971 39.917 1.00 0.00 WT1 H ATOM 16990 OH2 TIP3 5545 47.702 6.819 17.297 1.00 0.00 WT1 O ATOM 16991 H1 TIP3 5545 48.164 7.657 17.288 1.00 0.00 WT1 H ATOM 16992 H2 TIP3 5545 46.841 7.015 16.928 1.00 0.00 WT1 H ATOM 16993 OH2 TIP3 5547 54.841 43.587 1.146 1.00 0.00 WT1 O ATOM 16994 H1 TIP3 5547 55.024 42.694 1.437 1.00 0.00 WT1 H ATOM 16995 H2 TIP3 5547 54.939 44.121 1.935 1.00 0.00 WT1 H ATOM 16996 OH2 TIP3 5548 67.633 79.730 -4.343 1.00 0.00 WT1 O ATOM 16997 H1 TIP3 5548 67.958 78.960 -3.876 1.00 0.00 WT1 H ATOM 16998 H2 TIP3 5548 67.853 79.566 -5.260 1.00 0.00 WT1 H ATOM 16999 OH2 TIP3 5549 55.268 51.213 2.910 1.00 0.00 WT1 O ATOM 17000 H1 TIP3 5549 54.319 51.320 2.980 1.00 0.00 WT1 H ATOM 17001 H2 TIP3 5549 55.577 52.047 2.556 1.00 0.00 WT1 H ATOM 17002 OH2 TIP3 5550 62.241 16.390 28.846 1.00 0.00 WT1 O ATOM 17003 H1 TIP3 5550 61.726 17.185 28.713 1.00 0.00 WT1 H ATOM 17004 H2 TIP3 5550 61.591 15.708 29.013 1.00 0.00 WT1 H ATOM 17005 OH2 TIP3 5551 44.955 22.638 -6.149 1.00 0.00 WT1 O ATOM 17006 H1 TIP3 5551 45.838 22.510 -6.495 1.00 0.00 WT1 H ATOM 17007 H2 TIP3 5551 44.479 21.849 -6.408 1.00 0.00 WT1 H ATOM 17008 OH2 TIP3 5552 34.327 28.359 -4.589 1.00 0.00 WT1 O ATOM 17009 H1 TIP3 5552 33.400 28.268 -4.811 1.00 0.00 WT1 H ATOM 17010 H2 TIP3 5552 34.540 27.558 -4.110 1.00 0.00 WT1 H ATOM 17011 OH2 TIP3 5553 59.478 38.318 -19.049 1.00 0.00 WT1 O ATOM 17012 H1 TIP3 5553 59.967 38.803 -18.383 1.00 0.00 WT1 H ATOM 17013 H2 TIP3 5553 59.257 38.975 -19.710 1.00 0.00 WT1 H ATOM 17014 OH2 TIP3 5554 70.982 61.696 48.432 1.00 0.00 WT1 O ATOM 17015 H1 TIP3 5554 71.556 62.242 47.894 1.00 0.00 WT1 H ATOM 17016 H2 TIP3 5554 70.197 61.574 47.899 1.00 0.00 WT1 H ATOM 17017 OH2 TIP3 5555 52.081 6.454 5.999 1.00 0.00 WT1 O ATOM 17018 H1 TIP3 5555 51.653 7.308 6.063 1.00 0.00 WT1 H ATOM 17019 H2 TIP3 5555 51.363 5.822 6.033 1.00 0.00 WT1 H ATOM 17020 OH2 TIP3 5556 36.946 78.593 23.734 1.00 0.00 WT1 O ATOM 17021 H1 TIP3 5556 36.823 79.185 24.477 1.00 0.00 WT1 H ATOM 17022 H2 TIP3 5556 37.742 78.106 23.944 1.00 0.00 WT1 H ATOM 17023 OH2 TIP3 5558 57.667 63.919 15.414 1.00 0.00 WT1 O ATOM 17024 H1 TIP3 5558 57.378 63.427 14.645 1.00 0.00 WT1 H ATOM 17025 H2 TIP3 5558 58.172 63.288 15.927 1.00 0.00 WT1 H ATOM 17026 OH2 TIP3 5559 40.210 88.249 7.819 1.00 0.00 WT1 O ATOM 17027 H1 TIP3 5559 39.395 88.458 8.275 1.00 0.00 WT1 H ATOM 17028 H2 TIP3 5559 40.809 88.954 8.062 1.00 0.00 WT1 H ATOM 17029 OH2 TIP3 5561 31.943 56.291 55.303 1.00 0.00 WT1 O ATOM 17030 H1 TIP3 5561 31.901 57.232 55.479 1.00 0.00 WT1 H ATOM 17031 H2 TIP3 5561 31.030 56.030 55.183 1.00 0.00 WT1 H ATOM 17032 OH2 TIP3 5563 57.560 86.914 37.319 1.00 0.00 WT1 O ATOM 17033 H1 TIP3 5563 57.334 85.988 37.233 1.00 0.00 WT1 H ATOM 17034 H2 TIP3 5563 58.450 86.977 36.972 1.00 0.00 WT1 H ATOM 17035 OH2 TIP3 5564 44.398 45.550 42.388 1.00 0.00 WT1 O ATOM 17036 H1 TIP3 5564 43.647 44.989 42.194 1.00 0.00 WT1 H ATOM 17037 H2 TIP3 5564 44.012 46.398 42.609 1.00 0.00 WT1 H ATOM 17038 OH2 TIP3 5565 86.836 45.649 -0.130 1.00 0.00 WT1 O ATOM 17039 H1 TIP3 5565 86.625 46.120 0.676 1.00 0.00 WT1 H ATOM 17040 H2 TIP3 5565 86.003 45.587 -0.597 1.00 0.00 WT1 H ATOM 17041 OH2 TIP3 5566 25.394 35.098 53.866 1.00 0.00 WT1 O ATOM 17042 H1 TIP3 5566 25.657 36.018 53.830 1.00 0.00 WT1 H ATOM 17043 H2 TIP3 5566 25.186 34.945 54.788 1.00 0.00 WT1 H ATOM 17044 OH2 TIP3 5567 59.637 60.471 50.236 1.00 0.00 WT1 O ATOM 17045 H1 TIP3 5567 60.142 60.005 49.570 1.00 0.00 WT1 H ATOM 17046 H2 TIP3 5567 59.310 59.783 50.815 1.00 0.00 WT1 H ATOM 17047 OH2 TIP3 5568 39.875 66.358 -12.925 1.00 0.00 WT1 O ATOM 17048 H1 TIP3 5568 40.779 66.558 -12.681 1.00 0.00 WT1 H ATOM 17049 H2 TIP3 5568 39.590 65.711 -12.280 1.00 0.00 WT1 H ATOM 17050 OH2 TIP3 5569 43.672 43.610 57.451 1.00 0.00 WT1 O ATOM 17051 H1 TIP3 5569 44.485 44.068 57.663 1.00 0.00 WT1 H ATOM 17052 H2 TIP3 5569 43.701 42.813 57.981 1.00 0.00 WT1 H ATOM 17053 OH2 TIP3 5570 65.103 31.474 -12.186 1.00 0.00 WT1 O ATOM 17054 H1 TIP3 5570 65.307 32.310 -12.606 1.00 0.00 WT1 H ATOM 17055 H2 TIP3 5570 64.596 31.713 -11.410 1.00 0.00 WT1 H ATOM 17056 OH2 TIP3 5571 74.909 17.294 11.400 1.00 0.00 WT1 O ATOM 17057 H1 TIP3 5571 74.457 18.030 11.812 1.00 0.00 WT1 H ATOM 17058 H2 TIP3 5571 74.439 16.520 11.711 1.00 0.00 WT1 H ATOM 17059 OH2 TIP3 5572 74.590 71.192 -7.623 1.00 0.00 WT1 O ATOM 17060 H1 TIP3 5572 73.753 71.318 -7.176 1.00 0.00 WT1 H ATOM 17061 H2 TIP3 5572 74.510 70.339 -8.048 1.00 0.00 WT1 H ATOM 17062 OH2 TIP3 5573 44.843 64.739 54.503 1.00 0.00 WT1 O ATOM 17063 H1 TIP3 5573 44.172 64.056 54.491 1.00 0.00 WT1 H ATOM 17064 H2 TIP3 5573 45.349 64.592 53.704 1.00 0.00 WT1 H ATOM 17065 OH2 TIP3 5575 29.879 2.171 47.218 1.00 0.00 WT1 O ATOM 17066 H1 TIP3 5575 29.507 2.982 46.872 1.00 0.00 WT1 H ATOM 17067 H2 TIP3 5575 30.821 2.259 47.076 1.00 0.00 WT1 H ATOM 17068 OH2 TIP3 5576 29.972 53.121 33.348 1.00 0.00 WT1 O ATOM 17069 H1 TIP3 5576 30.133 53.584 32.525 1.00 0.00 WT1 H ATOM 17070 H2 TIP3 5576 29.241 53.591 33.749 1.00 0.00 WT1 H ATOM 17071 OH2 TIP3 5577 28.608 53.257 5.658 1.00 0.00 WT1 O ATOM 17072 H1 TIP3 5577 29.347 52.739 5.340 1.00 0.00 WT1 H ATOM 17073 H2 TIP3 5577 28.823 53.447 6.571 1.00 0.00 WT1 H ATOM 17074 OH2 TIP3 5579 38.258 33.062 17.229 1.00 0.00 WT1 O ATOM 17075 H1 TIP3 5579 38.862 33.742 17.527 1.00 0.00 WT1 H ATOM 17076 H2 TIP3 5579 38.819 32.310 17.037 1.00 0.00 WT1 H ATOM 17077 OH2 TIP3 5581 21.740 52.324 28.668 1.00 0.00 WT1 O ATOM 17078 H1 TIP3 5581 21.581 53.184 28.279 1.00 0.00 WT1 H ATOM 17079 H2 TIP3 5581 21.918 52.507 29.591 1.00 0.00 WT1 H ATOM 17080 OH2 TIP3 5584 90.220 79.849 45.486 1.00 0.00 WT1 O ATOM 17081 H1 TIP3 5584 89.547 80.423 45.120 1.00 0.00 WT1 H ATOM 17082 H2 TIP3 5584 90.826 80.442 45.929 1.00 0.00 WT1 H ATOM 17083 OH2 TIP3 5585 56.215 40.257 48.133 1.00 0.00 WT1 O ATOM 17084 H1 TIP3 5585 55.494 40.886 48.157 1.00 0.00 WT1 H ATOM 17085 H2 TIP3 5585 56.661 40.434 47.305 1.00 0.00 WT1 H ATOM 17086 OH2 TIP3 5587 58.302 44.128 36.758 1.00 0.00 WT1 O ATOM 17087 H1 TIP3 5587 57.443 44.426 37.057 1.00 0.00 WT1 H ATOM 17088 H2 TIP3 5587 58.606 44.821 36.172 1.00 0.00 WT1 H ATOM 17089 OH2 TIP3 5589 82.778 12.187 6.248 1.00 0.00 WT1 O ATOM 17090 H1 TIP3 5589 82.177 11.449 6.354 1.00 0.00 WT1 H ATOM 17091 H2 TIP3 5589 82.317 12.929 6.639 1.00 0.00 WT1 H ATOM 17092 OH2 TIP3 5590 29.056 16.813 2.938 1.00 0.00 WT1 O ATOM 17093 H1 TIP3 5590 28.901 17.336 3.724 1.00 0.00 WT1 H ATOM 17094 H2 TIP3 5590 29.902 17.117 2.610 1.00 0.00 WT1 H ATOM 17095 OH2 TIP3 5591 57.164 67.374 -14.565 1.00 0.00 WT1 O ATOM 17096 H1 TIP3 5591 57.277 67.368 -13.615 1.00 0.00 WT1 H ATOM 17097 H2 TIP3 5591 57.081 66.451 -14.803 1.00 0.00 WT1 H ATOM 17098 OH2 TIP3 5592 82.589 16.534 6.185 1.00 0.00 WT1 O ATOM 17099 H1 TIP3 5592 82.331 16.884 5.332 1.00 0.00 WT1 H ATOM 17100 H2 TIP3 5592 83.301 17.105 6.473 1.00 0.00 WT1 H ATOM 17101 OH2 TIP3 5595 64.742 36.846 62.481 1.00 0.00 WT1 O ATOM 17102 H1 TIP3 5595 65.337 37.297 63.080 1.00 0.00 WT1 H ATOM 17103 H2 TIP3 5595 64.069 37.495 62.278 1.00 0.00 WT1 H ATOM 17104 OH2 TIP3 5596 40.231 76.851 15.444 1.00 0.00 WT1 O ATOM 17105 H1 TIP3 5596 41.048 77.307 15.647 1.00 0.00 WT1 H ATOM 17106 H2 TIP3 5596 39.587 77.236 16.039 1.00 0.00 WT1 H ATOM 17107 OH2 TIP3 5597 56.160 53.445 19.090 1.00 0.00 WT1 O ATOM 17108 H1 TIP3 5597 55.458 53.963 18.695 1.00 0.00 WT1 H ATOM 17109 H2 TIP3 5597 56.529 52.946 18.362 1.00 0.00 WT1 H ATOM 17110 OH2 TIP3 5598 72.045 25.043 -8.260 1.00 0.00 WT1 O ATOM 17111 H1 TIP3 5598 72.376 24.928 -9.150 1.00 0.00 WT1 H ATOM 17112 H2 TIP3 5598 71.108 25.203 -8.371 1.00 0.00 WT1 H ATOM 17113 OH2 TIP3 5605 64.304 52.273 24.262 1.00 0.00 WT1 O ATOM 17114 H1 TIP3 5605 63.695 51.926 24.913 1.00 0.00 WT1 H ATOM 17115 H2 TIP3 5605 63.907 53.097 23.977 1.00 0.00 WT1 H ATOM 17116 OH2 TIP3 5606 43.536 19.276 -5.786 1.00 0.00 WT1 O ATOM 17117 H1 TIP3 5606 42.728 18.961 -5.381 1.00 0.00 WT1 H ATOM 17118 H2 TIP3 5606 43.243 19.870 -6.477 1.00 0.00 WT1 H ATOM 17119 OH2 TIP3 5607 47.160 38.949 -18.585 1.00 0.00 WT1 O ATOM 17120 H1 TIP3 5607 47.738 39.407 -19.195 1.00 0.00 WT1 H ATOM 17121 H2 TIP3 5607 47.365 39.328 -17.730 1.00 0.00 WT1 H ATOM 17122 OH2 TIP3 5608 47.302 14.227 -17.603 1.00 0.00 WT1 O ATOM 17123 H1 TIP3 5608 47.009 14.967 -18.135 1.00 0.00 WT1 H ATOM 17124 H2 TIP3 5608 48.245 14.179 -17.756 1.00 0.00 WT1 H ATOM 17125 OH2 TIP3 5609 88.833 41.846 55.947 1.00 0.00 WT1 O ATOM 17126 H1 TIP3 5609 88.418 41.116 56.408 1.00 0.00 WT1 H ATOM 17127 H2 TIP3 5609 88.148 42.511 55.885 1.00 0.00 WT1 H ATOM 17128 OH2 TIP3 5610 67.539 42.749 -7.350 1.00 0.00 WT1 O ATOM 17129 H1 TIP3 5610 66.667 42.366 -7.443 1.00 0.00 WT1 H ATOM 17130 H2 TIP3 5610 67.383 43.605 -6.949 1.00 0.00 WT1 H ATOM 17131 OH2 TIP3 5611 70.984 28.885 56.426 1.00 0.00 WT1 O ATOM 17132 H1 TIP3 5611 71.868 28.572 56.618 1.00 0.00 WT1 H ATOM 17133 H2 TIP3 5611 71.094 29.463 55.671 1.00 0.00 WT1 H ATOM 17134 OH2 TIP3 5612 62.683 67.091 41.981 1.00 0.00 WT1 O ATOM 17135 H1 TIP3 5612 62.673 66.142 41.858 1.00 0.00 WT1 H ATOM 17136 H2 TIP3 5612 62.707 67.448 41.093 1.00 0.00 WT1 H ATOM 17137 OH2 TIP3 5613 71.417 35.663 44.911 1.00 0.00 WT1 O ATOM 17138 H1 TIP3 5613 71.612 36.598 44.962 1.00 0.00 WT1 H ATOM 17139 H2 TIP3 5613 71.470 35.356 45.816 1.00 0.00 WT1 H ATOM 17140 OH2 TIP3 5614 46.667 75.291 14.643 1.00 0.00 WT1 O ATOM 17141 H1 TIP3 5614 47.426 75.080 15.187 1.00 0.00 WT1 H ATOM 17142 H2 TIP3 5614 46.194 74.463 14.560 1.00 0.00 WT1 H ATOM 17143 OH2 TIP3 5615 69.209 57.485 23.023 1.00 0.00 WT1 O ATOM 17144 H1 TIP3 5615 68.618 57.129 22.359 1.00 0.00 WT1 H ATOM 17145 H2 TIP3 5615 68.738 57.374 23.849 1.00 0.00 WT1 H ATOM 17146 OH2 TIP3 5616 29.385 80.553 -8.980 1.00 0.00 WT1 O ATOM 17147 H1 TIP3 5616 29.863 80.423 -9.799 1.00 0.00 WT1 H ATOM 17148 H2 TIP3 5616 29.572 81.459 -8.735 1.00 0.00 WT1 H ATOM 17149 OH2 TIP3 5618 55.230 38.578 -2.229 1.00 0.00 WT1 O ATOM 17150 H1 TIP3 5618 54.420 38.841 -2.666 1.00 0.00 WT1 H ATOM 17151 H2 TIP3 5618 55.044 38.682 -1.296 1.00 0.00 WT1 H ATOM 17152 OH2 TIP3 5626 71.951 55.145 58.997 1.00 0.00 WT1 O ATOM 17153 H1 TIP3 5626 71.127 55.373 58.567 1.00 0.00 WT1 H ATOM 17154 H2 TIP3 5626 71.726 55.074 59.924 1.00 0.00 WT1 H ATOM 17155 OH2 TIP3 5630 54.853 21.661 35.616 1.00 0.00 WT1 O ATOM 17156 H1 TIP3 5630 54.570 21.814 34.714 1.00 0.00 WT1 H ATOM 17157 H2 TIP3 5630 55.748 21.997 35.648 1.00 0.00 WT1 H ATOM 17158 OH2 TIP3 5631 89.113 21.905 1.271 1.00 0.00 WT1 O ATOM 17159 H1 TIP3 5631 89.525 22.221 0.467 1.00 0.00 WT1 H ATOM 17160 H2 TIP3 5631 89.274 22.599 1.911 1.00 0.00 WT1 H ATOM 17161 OH2 TIP3 5632 53.955 94.632 64.870 1.00 0.00 WT1 O ATOM 17162 H1 TIP3 5632 53.508 94.512 64.032 1.00 0.00 WT1 H ATOM 17163 H2 TIP3 5632 53.956 95.580 65.007 1.00 0.00 WT1 H ATOM 17164 OH2 TIP3 5633 59.852 35.780 -12.758 1.00 0.00 WT1 O ATOM 17165 H1 TIP3 5633 59.424 36.342 -12.111 1.00 0.00 WT1 H ATOM 17166 H2 TIP3 5633 60.505 35.292 -12.257 1.00 0.00 WT1 H ATOM 17167 OH2 TIP3 5636 59.004 60.001 -0.325 1.00 0.00 WT1 O ATOM 17168 H1 TIP3 5636 58.095 59.973 -0.026 1.00 0.00 WT1 H ATOM 17169 H2 TIP3 5636 59.428 60.634 0.253 1.00 0.00 WT1 H ATOM 17170 OH2 TIP3 5637 57.151 29.821 -13.291 1.00 0.00 WT1 O ATOM 17171 H1 TIP3 5637 58.068 30.020 -13.105 1.00 0.00 WT1 H ATOM 17172 H2 TIP3 5637 56.761 29.663 -12.431 1.00 0.00 WT1 H ATOM 17173 OH2 TIP3 5642 24.382 66.473 52.553 1.00 0.00 WT1 O ATOM 17174 H1 TIP3 5642 23.783 67.219 52.588 1.00 0.00 WT1 H ATOM 17175 H2 TIP3 5642 25.216 66.848 52.272 1.00 0.00 WT1 H ATOM 17176 OH2 TIP3 5647 63.576 20.705 -17.673 1.00 0.00 WT1 O ATOM 17177 H1 TIP3 5647 63.861 21.413 -17.096 1.00 0.00 WT1 H ATOM 17178 H2 TIP3 5647 64.134 20.787 -18.447 1.00 0.00 WT1 H ATOM 17179 OH2 TIP3 5648 35.389 25.177 15.894 1.00 0.00 WT1 O ATOM 17180 H1 TIP3 5648 34.489 25.110 16.212 1.00 0.00 WT1 H ATOM 17181 H2 TIP3 5648 35.448 24.520 15.200 1.00 0.00 WT1 H ATOM 17182 OH2 TIP3 5649 55.784 82.919 61.402 1.00 0.00 WT1 O ATOM 17183 H1 TIP3 5649 55.468 83.041 60.507 1.00 0.00 WT1 H ATOM 17184 H2 TIP3 5649 54.990 82.908 61.937 1.00 0.00 WT1 H ATOM 17185 OH2 TIP3 5650 59.287 34.210 52.724 1.00 0.00 WT1 O ATOM 17186 H1 TIP3 5650 59.151 34.885 53.388 1.00 0.00 WT1 H ATOM 17187 H2 TIP3 5650 59.043 34.631 51.900 1.00 0.00 WT1 H ATOM 17188 OH2 TIP3 5651 82.400 64.293 57.775 1.00 0.00 WT1 O ATOM 17189 H1 TIP3 5651 82.552 63.803 56.967 1.00 0.00 WT1 H ATOM 17190 H2 TIP3 5651 81.646 63.862 58.179 1.00 0.00 WT1 H ATOM 17191 OH2 TIP3 5653 40.768 61.365 51.053 1.00 0.00 WT1 O ATOM 17192 H1 TIP3 5653 41.523 61.950 50.983 1.00 0.00 WT1 H ATOM 17193 H2 TIP3 5653 40.106 61.882 51.511 1.00 0.00 WT1 H ATOM 17194 OH2 TIP3 5654 75.293 94.054 38.786 1.00 0.00 WT1 O ATOM 17195 H1 TIP3 5654 75.306 93.277 39.346 1.00 0.00 WT1 H ATOM 17196 H2 TIP3 5654 74.370 94.305 38.747 1.00 0.00 WT1 H ATOM 17197 OH2 TIP3 5655 39.719 24.771 50.525 1.00 0.00 WT1 O ATOM 17198 H1 TIP3 5655 38.775 24.659 50.633 1.00 0.00 WT1 H ATOM 17199 H2 TIP3 5655 39.820 25.673 50.221 1.00 0.00 WT1 H ATOM 17200 OH2 TIP3 5656 73.683 84.944 66.469 1.00 0.00 WT1 O ATOM 17201 H1 TIP3 5656 74.560 85.328 66.463 1.00 0.00 WT1 H ATOM 17202 H2 TIP3 5656 73.225 85.404 67.173 1.00 0.00 WT1 H ATOM 17203 OH2 TIP3 5657 70.305 43.960 17.603 1.00 0.00 WT1 O ATOM 17204 H1 TIP3 5657 70.319 44.829 17.200 1.00 0.00 WT1 H ATOM 17205 H2 TIP3 5657 69.559 43.519 17.197 1.00 0.00 WT1 H ATOM 17206 OH2 TIP3 5658 36.125 20.352 14.602 1.00 0.00 WT1 O ATOM 17207 H1 TIP3 5658 37.066 20.339 14.424 1.00 0.00 WT1 H ATOM 17208 H2 TIP3 5658 35.864 21.260 14.450 1.00 0.00 WT1 H ATOM 17209 OH2 TIP3 5663 50.595 48.423 -3.854 1.00 0.00 WT1 O ATOM 17210 H1 TIP3 5663 51.236 47.891 -3.383 1.00 0.00 WT1 H ATOM 17211 H2 TIP3 5663 50.689 49.299 -3.479 1.00 0.00 WT1 H ATOM 17212 OH2 TIP3 5664 78.372 23.422 39.533 1.00 0.00 WT1 O ATOM 17213 H1 TIP3 5664 78.339 22.593 39.056 1.00 0.00 WT1 H ATOM 17214 H2 TIP3 5664 77.455 23.641 39.699 1.00 0.00 WT1 H ATOM 17215 OH2 TIP3 5668 59.399 28.190 20.654 1.00 0.00 WT1 O ATOM 17216 H1 TIP3 5668 58.934 28.958 20.320 1.00 0.00 WT1 H ATOM 17217 H2 TIP3 5668 58.870 27.892 21.394 1.00 0.00 WT1 H ATOM 17218 OH2 TIP3 5669 85.460 79.700 65.845 1.00 0.00 WT1 O ATOM 17219 H1 TIP3 5669 86.161 79.050 65.910 1.00 0.00 WT1 H ATOM 17220 H2 TIP3 5669 85.231 79.897 66.754 1.00 0.00 WT1 H ATOM 17221 OH2 TIP3 5670 32.334 48.133 36.591 1.00 0.00 WT1 O ATOM 17222 H1 TIP3 5670 31.653 47.546 36.264 1.00 0.00 WT1 H ATOM 17223 H2 TIP3 5670 33.039 48.067 35.946 1.00 0.00 WT1 H ATOM 17224 OH2 TIP3 5671 41.661 1.503 27.959 1.00 0.00 WT1 O ATOM 17225 H1 TIP3 5671 41.642 1.932 27.104 1.00 0.00 WT1 H ATOM 17226 H2 TIP3 5671 42.289 0.788 27.856 1.00 0.00 WT1 H ATOM 17227 OH2 TIP3 5673 65.727 95.652 38.844 1.00 0.00 WT1 O ATOM 17228 H1 TIP3 5673 66.060 94.756 38.800 1.00 0.00 WT1 H ATOM 17229 H2 TIP3 5673 65.811 95.984 37.950 1.00 0.00 WT1 H ATOM 17230 OH2 TIP3 5674 70.809 88.310 10.505 1.00 0.00 WT1 O ATOM 17231 H1 TIP3 5674 71.571 88.000 10.994 1.00 0.00 WT1 H ATOM 17232 H2 TIP3 5674 71.092 88.303 9.590 1.00 0.00 WT1 H ATOM 17233 OH2 TIP3 5675 78.027 39.920 16.632 1.00 0.00 WT1 O ATOM 17234 H1 TIP3 5675 77.642 39.216 16.109 1.00 0.00 WT1 H ATOM 17235 H2 TIP3 5675 78.040 40.676 16.045 1.00 0.00 WT1 H ATOM 17236 OH2 TIP3 5676 34.588 54.925 -14.798 1.00 0.00 WT1 O ATOM 17237 H1 TIP3 5676 34.832 55.598 -14.162 1.00 0.00 WT1 H ATOM 17238 H2 TIP3 5676 35.408 54.471 -14.994 1.00 0.00 WT1 H ATOM 17239 OH2 TIP3 5678 79.059 85.946 28.455 1.00 0.00 WT1 O ATOM 17240 H1 TIP3 5678 79.045 86.780 28.925 1.00 0.00 WT1 H ATOM 17241 H2 TIP3 5678 78.871 86.181 27.546 1.00 0.00 WT1 H ATOM 17242 OH2 TIP3 5679 33.521 58.527 29.482 1.00 0.00 WT1 O ATOM 17243 H1 TIP3 5679 33.825 59.433 29.527 1.00 0.00 WT1 H ATOM 17244 H2 TIP3 5679 33.934 58.173 28.695 1.00 0.00 WT1 H ATOM 17245 OH2 TIP3 5682 65.021 40.092 30.096 1.00 0.00 WT1 O ATOM 17246 H1 TIP3 5682 65.053 40.976 29.730 1.00 0.00 WT1 H ATOM 17247 H2 TIP3 5682 65.929 39.789 30.068 1.00 0.00 WT1 H ATOM 17248 OH2 TIP3 5683 76.176 82.776 -10.062 1.00 0.00 WT1 O ATOM 17249 H1 TIP3 5683 75.625 83.507 -9.783 1.00 0.00 WT1 H ATOM 17250 H2 TIP3 5683 75.658 82.328 -10.731 1.00 0.00 WT1 H ATOM 17251 OH2 TIP3 5687 53.214 16.634 -4.543 1.00 0.00 WT1 O ATOM 17252 H1 TIP3 5687 52.491 16.859 -5.129 1.00 0.00 WT1 H ATOM 17253 H2 TIP3 5687 53.777 16.062 -5.065 1.00 0.00 WT1 H ATOM 17254 OH2 TIP3 5690 69.581 87.233 19.151 1.00 0.00 WT1 O ATOM 17255 H1 TIP3 5690 69.433 87.838 18.424 1.00 0.00 WT1 H ATOM 17256 H2 TIP3 5690 68.712 87.098 19.530 1.00 0.00 WT1 H ATOM 17257 OH2 TIP3 5691 68.681 4.357 35.767 1.00 0.00 WT1 O ATOM 17258 H1 TIP3 5691 67.818 4.032 36.024 1.00 0.00 WT1 H ATOM 17259 H2 TIP3 5691 68.503 4.987 35.069 1.00 0.00 WT1 H ATOM 17260 OH2 TIP3 5692 33.548 22.119 -12.264 1.00 0.00 WT1 O ATOM 17261 H1 TIP3 5692 33.183 22.797 -12.833 1.00 0.00 WT1 H ATOM 17262 H2 TIP3 5692 32.995 21.353 -12.419 1.00 0.00 WT1 H ATOM 17263 OH2 TIP3 5694 85.159 43.271 38.754 1.00 0.00 WT1 O ATOM 17264 H1 TIP3 5694 84.615 44.014 39.014 1.00 0.00 WT1 H ATOM 17265 H2 TIP3 5694 85.384 43.447 37.840 1.00 0.00 WT1 H ATOM 17266 OH2 TIP3 5695 66.867 67.485 10.530 1.00 0.00 WT1 O ATOM 17267 H1 TIP3 5695 66.260 67.618 11.258 1.00 0.00 WT1 H ATOM 17268 H2 TIP3 5695 66.813 66.548 10.341 1.00 0.00 WT1 H ATOM 17269 OH2 TIP3 5697 29.489 24.686 -12.483 1.00 0.00 WT1 O ATOM 17270 H1 TIP3 5697 30.189 24.506 -13.110 1.00 0.00 WT1 H ATOM 17271 H2 TIP3 5697 29.880 25.293 -11.854 1.00 0.00 WT1 H ATOM 17272 OH2 TIP3 5698 46.132 54.703 26.745 1.00 0.00 WT1 O ATOM 17273 H1 TIP3 5698 46.288 55.635 26.593 1.00 0.00 WT1 H ATOM 17274 H2 TIP3 5698 46.281 54.292 25.893 1.00 0.00 WT1 H ATOM 17275 OH2 TIP3 5700 80.147 25.571 -15.485 1.00 0.00 WT1 O ATOM 17276 H1 TIP3 5700 80.650 25.005 -16.072 1.00 0.00 WT1 H ATOM 17277 H2 TIP3 5700 79.520 24.983 -15.064 1.00 0.00 WT1 H ATOM 17278 OH2 TIP3 5701 60.568 43.996 -2.844 1.00 0.00 WT1 O ATOM 17279 H1 TIP3 5701 61.427 43.768 -2.487 1.00 0.00 WT1 H ATOM 17280 H2 TIP3 5701 60.211 44.630 -2.222 1.00 0.00 WT1 H ATOM 17281 OH2 TIP3 5702 60.444 83.905 -13.394 1.00 0.00 WT1 O ATOM 17282 H1 TIP3 5702 60.146 84.769 -13.678 1.00 0.00 WT1 H ATOM 17283 H2 TIP3 5702 61.397 83.980 -13.357 1.00 0.00 WT1 H ATOM 17284 OH2 TIP3 5704 73.979 33.309 5.707 1.00 0.00 WT1 O ATOM 17285 H1 TIP3 5704 74.735 33.591 6.221 1.00 0.00 WT1 H ATOM 17286 H2 TIP3 5704 73.443 32.809 6.322 1.00 0.00 WT1 H ATOM 17287 OH2 TIP3 5705 53.941 57.729 18.170 1.00 0.00 WT1 O ATOM 17288 H1 TIP3 5705 53.709 56.861 17.838 1.00 0.00 WT1 H ATOM 17289 H2 TIP3 5705 53.453 57.811 18.989 1.00 0.00 WT1 H ATOM 17290 OH2 TIP3 5706 21.650 86.147 20.420 1.00 0.00 WT1 O ATOM 17291 H1 TIP3 5706 20.898 86.153 21.013 1.00 0.00 WT1 H ATOM 17292 H2 TIP3 5706 21.901 87.067 20.342 1.00 0.00 WT1 H ATOM 17293 OH2 TIP3 5709 77.140 79.552 19.392 1.00 0.00 WT1 O ATOM 17294 H1 TIP3 5709 77.770 79.448 20.105 1.00 0.00 WT1 H ATOM 17295 H2 TIP3 5709 76.602 78.761 19.429 1.00 0.00 WT1 H ATOM 17296 OH2 TIP3 5710 58.653 1.564 65.009 1.00 0.00 WT1 O ATOM 17297 H1 TIP3 5710 57.742 1.606 65.297 1.00 0.00 WT1 H ATOM 17298 H2 TIP3 5710 58.616 1.133 64.155 1.00 0.00 WT1 H ATOM 17299 OH2 TIP3 5711 40.661 95.959 8.069 1.00 0.00 WT1 O ATOM 17300 H1 TIP3 5711 40.577 95.064 7.738 1.00 0.00 WT1 H ATOM 17301 H2 TIP3 5711 41.217 96.401 7.427 1.00 0.00 WT1 H ATOM 17302 OH2 TIP3 5713 63.557 2.566 9.445 1.00 0.00 WT1 O ATOM 17303 H1 TIP3 5713 63.091 3.260 9.912 1.00 0.00 WT1 H ATOM 17304 H2 TIP3 5713 63.160 2.554 8.574 1.00 0.00 WT1 H ATOM 17305 OH2 TIP3 5714 20.920 68.445 6.000 1.00 0.00 WT1 O ATOM 17306 H1 TIP3 5714 21.819 68.223 6.244 1.00 0.00 WT1 H ATOM 17307 H2 TIP3 5714 20.706 69.205 6.542 1.00 0.00 WT1 H ATOM 17308 OH2 TIP3 5716 32.198 8.016 18.381 1.00 0.00 WT1 O ATOM 17309 H1 TIP3 5716 32.220 8.921 18.693 1.00 0.00 WT1 H ATOM 17310 H2 TIP3 5716 32.953 7.945 17.798 1.00 0.00 WT1 H ATOM 17311 OH2 TIP3 5717 72.510 20.402 59.750 1.00 0.00 WT1 O ATOM 17312 H1 TIP3 5717 72.196 20.956 60.464 1.00 0.00 WT1 H ATOM 17313 H2 TIP3 5717 73.184 20.927 59.318 1.00 0.00 WT1 H ATOM 17314 OH2 TIP3 5718 24.043 49.082 64.464 1.00 0.00 WT1 O ATOM 17315 H1 TIP3 5718 23.673 48.201 64.516 1.00 0.00 WT1 H ATOM 17316 H2 TIP3 5718 24.466 49.216 65.312 1.00 0.00 WT1 H ATOM 17317 OH2 TIP3 5719 46.094 61.416 10.899 1.00 0.00 WT1 O ATOM 17318 H1 TIP3 5719 45.668 62.059 11.466 1.00 0.00 WT1 H ATOM 17319 H2 TIP3 5719 47.030 61.575 11.016 1.00 0.00 WT1 H ATOM 17320 OH2 TIP3 5720 53.503 12.995 19.164 1.00 0.00 WT1 O ATOM 17321 H1 TIP3 5720 53.506 13.833 18.701 1.00 0.00 WT1 H ATOM 17322 H2 TIP3 5720 52.732 13.036 19.730 1.00 0.00 WT1 H ATOM 17323 OH2 TIP3 5722 22.642 57.575 0.660 1.00 0.00 WT1 O ATOM 17324 H1 TIP3 5722 22.743 57.319 -0.257 1.00 0.00 WT1 H ATOM 17325 H2 TIP3 5722 23.535 57.731 0.965 1.00 0.00 WT1 H ATOM 17326 OH2 TIP3 5723 75.119 29.443 63.317 1.00 0.00 WT1 O ATOM 17327 H1 TIP3 5723 75.326 29.051 62.468 1.00 0.00 WT1 H ATOM 17328 H2 TIP3 5723 74.911 30.355 63.116 1.00 0.00 WT1 H ATOM 17329 OH2 TIP3 5726 43.496 29.402 46.552 1.00 0.00 WT1 O ATOM 17330 H1 TIP3 5726 43.048 30.229 46.374 1.00 0.00 WT1 H ATOM 17331 H2 TIP3 5726 44.424 29.635 46.583 1.00 0.00 WT1 H ATOM 17332 OH2 TIP3 5727 81.129 77.599 -10.194 1.00 0.00 WT1 O ATOM 17333 H1 TIP3 5727 81.948 77.544 -9.702 1.00 0.00 WT1 H ATOM 17334 H2 TIP3 5727 80.844 78.506 -10.083 1.00 0.00 WT1 H ATOM 17335 OH2 TIP3 5728 83.062 37.429 28.919 1.00 0.00 WT1 O ATOM 17336 H1 TIP3 5728 82.781 38.068 28.264 1.00 0.00 WT1 H ATOM 17337 H2 TIP3 5728 82.467 37.564 29.657 1.00 0.00 WT1 H ATOM 17338 OH2 TIP3 5729 66.050 61.098 12.330 1.00 0.00 WT1 O ATOM 17339 H1 TIP3 5729 65.926 60.979 13.272 1.00 0.00 WT1 H ATOM 17340 H2 TIP3 5729 65.676 60.310 11.937 1.00 0.00 WT1 H ATOM 17341 OH2 TIP3 5730 84.893 39.416 -13.801 1.00 0.00 WT1 O ATOM 17342 H1 TIP3 5730 84.816 40.155 -13.198 1.00 0.00 WT1 H ATOM 17343 H2 TIP3 5730 84.022 39.019 -13.807 1.00 0.00 WT1 H ATOM 17344 OH2 TIP3 5732 76.038 70.031 8.251 1.00 0.00 WT1 O ATOM 17345 H1 TIP3 5732 76.464 69.181 8.367 1.00 0.00 WT1 H ATOM 17346 H2 TIP3 5732 75.278 69.845 7.699 1.00 0.00 WT1 H ATOM 17347 OH2 TIP3 5733 49.754 96.441 44.896 1.00 0.00 WT1 O ATOM 17348 H1 TIP3 5733 49.734 96.514 43.942 1.00 0.00 WT1 H ATOM 17349 H2 TIP3 5733 48.959 95.957 45.116 1.00 0.00 WT1 H ATOM 17350 OH2 TIP3 5734 34.593 59.228 8.095 1.00 0.00 WT1 O ATOM 17351 H1 TIP3 5734 35.206 58.616 8.503 1.00 0.00 WT1 H ATOM 17352 H2 TIP3 5734 34.197 59.698 8.829 1.00 0.00 WT1 H ATOM 17353 OH2 TIP3 5735 71.329 96.283 65.791 1.00 0.00 WT1 O ATOM 17354 H1 TIP3 5735 71.004 95.800 65.031 1.00 0.00 WT1 H ATOM 17355 H2 TIP3 5735 72.261 96.072 65.829 1.00 0.00 WT1 H ATOM 17356 OH2 TIP3 5736 75.309 15.314 39.521 1.00 0.00 WT1 O ATOM 17357 H1 TIP3 5736 76.204 15.097 39.260 1.00 0.00 WT1 H ATOM 17358 H2 TIP3 5736 75.194 16.225 39.250 1.00 0.00 WT1 H ATOM 17359 OH2 TIP3 5737 66.814 54.789 18.058 1.00 0.00 WT1 O ATOM 17360 H1 TIP3 5737 66.026 54.516 18.528 1.00 0.00 WT1 H ATOM 17361 H2 TIP3 5737 66.557 55.592 17.604 1.00 0.00 WT1 H ATOM 17362 OH2 TIP3 5738 33.299 95.542 35.028 1.00 0.00 WT1 O ATOM 17363 H1 TIP3 5738 33.061 94.760 35.526 1.00 0.00 WT1 H ATOM 17364 H2 TIP3 5738 34.256 95.560 35.051 1.00 0.00 WT1 H ATOM 17365 OH2 TIP3 5741 46.172 85.572 7.258 1.00 0.00 WT1 O ATOM 17366 H1 TIP3 5741 45.364 86.001 7.539 1.00 0.00 WT1 H ATOM 17367 H2 TIP3 5741 46.841 85.904 7.857 1.00 0.00 WT1 H ATOM 17368 OH2 TIP3 5742 66.445 80.478 27.221 1.00 0.00 WT1 O ATOM 17369 H1 TIP3 5742 67.163 80.647 26.611 1.00 0.00 WT1 H ATOM 17370 H2 TIP3 5742 66.680 79.653 27.646 1.00 0.00 WT1 H ATOM 17371 OH2 TIP3 5744 46.578 17.210 -2.521 1.00 0.00 WT1 O ATOM 17372 H1 TIP3 5744 47.324 17.305 -1.929 1.00 0.00 WT1 H ATOM 17373 H2 TIP3 5744 46.343 16.284 -2.464 1.00 0.00 WT1 H ATOM 17374 OH2 TIP3 5746 46.722 34.873 60.935 1.00 0.00 WT1 O ATOM 17375 H1 TIP3 5746 47.460 35.091 60.366 1.00 0.00 WT1 H ATOM 17376 H2 TIP3 5746 46.398 35.719 61.244 1.00 0.00 WT1 H ATOM 17377 OH2 TIP3 5748 63.200 31.746 -10.210 1.00 0.00 WT1 O ATOM 17378 H1 TIP3 5748 63.715 32.395 -9.730 1.00 0.00 WT1 H ATOM 17379 H2 TIP3 5748 62.827 31.186 -9.530 1.00 0.00 WT1 H ATOM 17380 OH2 TIP3 5749 57.356 81.895 58.966 1.00 0.00 WT1 O ATOM 17381 H1 TIP3 5749 56.538 81.431 58.789 1.00 0.00 WT1 H ATOM 17382 H2 TIP3 5749 57.210 82.778 58.626 1.00 0.00 WT1 H ATOM 17383 OH2 TIP3 5750 64.221 72.907 17.043 1.00 0.00 WT1 O ATOM 17384 H1 TIP3 5750 64.110 71.957 17.092 1.00 0.00 WT1 H ATOM 17385 H2 TIP3 5750 63.675 73.173 16.303 1.00 0.00 WT1 H ATOM 17386 OH2 TIP3 5752 32.952 66.160 51.625 1.00 0.00 WT1 O ATOM 17387 H1 TIP3 5752 32.949 65.911 50.701 1.00 0.00 WT1 H ATOM 17388 H2 TIP3 5752 33.474 66.962 51.656 1.00 0.00 WT1 H ATOM 17389 OH2 TIP3 5753 29.403 75.610 27.675 1.00 0.00 WT1 O ATOM 17390 H1 TIP3 5753 30.315 75.897 27.703 1.00 0.00 WT1 H ATOM 17391 H2 TIP3 5753 29.383 74.817 28.211 1.00 0.00 WT1 H ATOM 17392 OH2 TIP3 5754 22.683 31.374 35.692 1.00 0.00 WT1 O ATOM 17393 H1 TIP3 5754 22.842 32.202 36.146 1.00 0.00 WT1 H ATOM 17394 H2 TIP3 5754 23.292 31.384 34.954 1.00 0.00 WT1 H ATOM 17395 OH2 TIP3 5755 63.164 17.004 60.343 1.00 0.00 WT1 O ATOM 17396 H1 TIP3 5755 62.931 17.819 59.899 1.00 0.00 WT1 H ATOM 17397 H2 TIP3 5755 62.386 16.453 60.258 1.00 0.00 WT1 H ATOM 17398 OH2 TIP3 5756 41.077 0.779 3.756 1.00 0.00 WT1 O ATOM 17399 H1 TIP3 5756 41.291 1.371 3.035 1.00 0.00 WT1 H ATOM 17400 H2 TIP3 5756 40.126 0.679 3.709 1.00 0.00 WT1 H ATOM 17401 OH2 TIP3 5757 33.710 81.953 47.824 1.00 0.00 WT1 O ATOM 17402 H1 TIP3 5757 34.124 81.091 47.870 1.00 0.00 WT1 H ATOM 17403 H2 TIP3 5757 34.112 82.373 47.064 1.00 0.00 WT1 H ATOM 17404 OH2 TIP3 5758 46.992 9.041 -14.336 1.00 0.00 WT1 O ATOM 17405 H1 TIP3 5758 47.317 9.229 -13.456 1.00 0.00 WT1 H ATOM 17406 H2 TIP3 5758 46.183 9.548 -14.407 1.00 0.00 WT1 H ATOM 17407 OH2 TIP3 5759 84.642 33.428 41.562 1.00 0.00 WT1 O ATOM 17408 H1 TIP3 5759 85.085 33.372 40.715 1.00 0.00 WT1 H ATOM 17409 H2 TIP3 5759 85.273 33.071 42.187 1.00 0.00 WT1 H ATOM 17410 OH2 TIP3 5760 36.174 80.532 35.568 1.00 0.00 WT1 O ATOM 17411 H1 TIP3 5760 36.012 80.174 34.695 1.00 0.00 WT1 H ATOM 17412 H2 TIP3 5760 35.336 80.910 35.831 1.00 0.00 WT1 H ATOM 17413 OH2 TIP3 5761 22.134 59.192 -2.776 1.00 0.00 WT1 O ATOM 17414 H1 TIP3 5761 23.014 59.398 -3.090 1.00 0.00 WT1 H ATOM 17415 H2 TIP3 5761 22.225 58.343 -2.344 1.00 0.00 WT1 H ATOM 17416 OH2 TIP3 5762 58.688 10.855 21.956 1.00 0.00 WT1 O ATOM 17417 H1 TIP3 5762 58.642 11.355 22.771 1.00 0.00 WT1 H ATOM 17418 H2 TIP3 5762 58.343 11.450 21.291 1.00 0.00 WT1 H ATOM 17419 OH2 TIP3 5763 75.534 63.091 45.939 1.00 0.00 WT1 O ATOM 17420 H1 TIP3 5763 76.372 63.492 46.168 1.00 0.00 WT1 H ATOM 17421 H2 TIP3 5763 75.042 63.792 45.511 1.00 0.00 WT1 H ATOM 17422 OH2 TIP3 5764 69.807 38.860 -19.156 1.00 0.00 WT1 O ATOM 17423 H1 TIP3 5764 69.549 38.170 -18.545 1.00 0.00 WT1 H ATOM 17424 H2 TIP3 5764 70.553 39.287 -18.735 1.00 0.00 WT1 H ATOM 17425 OH2 TIP3 5765 54.613 16.233 -16.657 1.00 0.00 WT1 O ATOM 17426 H1 TIP3 5765 55.042 16.992 -17.054 1.00 0.00 WT1 H ATOM 17427 H2 TIP3 5765 55.282 15.548 -16.665 1.00 0.00 WT1 H ATOM 17428 OH2 TIP3 5767 75.969 83.056 19.945 1.00 0.00 WT1 O ATOM 17429 H1 TIP3 5767 76.867 83.284 19.706 1.00 0.00 WT1 H ATOM 17430 H2 TIP3 5767 75.650 82.535 19.208 1.00 0.00 WT1 H ATOM 17431 OH2 TIP3 5768 38.090 70.648 20.894 1.00 0.00 WT1 O ATOM 17432 H1 TIP3 5768 37.639 70.973 21.673 1.00 0.00 WT1 H ATOM 17433 H2 TIP3 5768 38.464 69.809 21.166 1.00 0.00 WT1 H ATOM 17434 OH2 TIP3 5769 69.037 67.129 24.983 1.00 0.00 WT1 O ATOM 17435 H1 TIP3 5769 69.566 67.880 24.715 1.00 0.00 WT1 H ATOM 17436 H2 TIP3 5769 69.499 66.370 24.626 1.00 0.00 WT1 H ATOM 17437 OH2 TIP3 5772 39.699 56.823 46.395 1.00 0.00 WT1 O ATOM 17438 H1 TIP3 5772 39.823 57.641 46.877 1.00 0.00 WT1 H ATOM 17439 H2 TIP3 5772 40.318 56.878 45.667 1.00 0.00 WT1 H ATOM 17440 OH2 TIP3 5773 48.300 70.548 7.043 1.00 0.00 WT1 O ATOM 17441 H1 TIP3 5773 48.189 70.063 7.861 1.00 0.00 WT1 H ATOM 17442 H2 TIP3 5773 49.103 71.052 7.170 1.00 0.00 WT1 H ATOM 17443 OH2 TIP3 5774 44.685 55.241 -12.119 1.00 0.00 WT1 O ATOM 17444 H1 TIP3 5774 45.442 55.474 -11.582 1.00 0.00 WT1 H ATOM 17445 H2 TIP3 5774 45.057 55.009 -12.970 1.00 0.00 WT1 H ATOM 17446 OH2 TIP3 5775 80.679 77.378 -1.721 1.00 0.00 WT1 O ATOM 17447 H1 TIP3 5775 80.393 77.341 -2.634 1.00 0.00 WT1 H ATOM 17448 H2 TIP3 5775 81.198 76.583 -1.599 1.00 0.00 WT1 H ATOM 17449 OH2 TIP3 5776 88.858 49.640 66.331 1.00 0.00 WT1 O ATOM 17450 H1 TIP3 5776 89.050 50.576 66.392 1.00 0.00 WT1 H ATOM 17451 H2 TIP3 5776 87.930 49.601 66.099 1.00 0.00 WT1 H ATOM 17452 OH2 TIP3 5777 27.699 2.375 -2.823 1.00 0.00 WT1 O ATOM 17453 H1 TIP3 5777 27.183 2.511 -3.618 1.00 0.00 WT1 H ATOM 17454 H2 TIP3 5777 27.445 3.096 -2.246 1.00 0.00 WT1 H ATOM 17455 OH2 TIP3 5778 87.352 33.392 47.364 1.00 0.00 WT1 O ATOM 17456 H1 TIP3 5778 87.695 34.057 47.963 1.00 0.00 WT1 H ATOM 17457 H2 TIP3 5778 86.853 33.889 46.716 1.00 0.00 WT1 H ATOM 17458 OH2 TIP3 5779 90.181 69.353 -2.015 1.00 0.00 WT1 O ATOM 17459 H1 TIP3 5779 91.004 69.840 -2.054 1.00 0.00 WT1 H ATOM 17460 H2 TIP3 5779 90.144 69.013 -1.121 1.00 0.00 WT1 H ATOM 17461 OH2 TIP3 5780 56.417 17.625 18.060 1.00 0.00 WT1 O ATOM 17462 H1 TIP3 5780 56.934 18.318 17.648 1.00 0.00 WT1 H ATOM 17463 H2 TIP3 5780 56.269 17.935 18.953 1.00 0.00 WT1 H ATOM 17464 OH2 TIP3 5781 25.295 91.662 -2.715 1.00 0.00 WT1 O ATOM 17465 H1 TIP3 5781 25.671 90.813 -2.949 1.00 0.00 WT1 H ATOM 17466 H2 TIP3 5781 24.377 91.471 -2.518 1.00 0.00 WT1 H ATOM 17467 OH2 TIP3 5782 27.462 66.388 17.844 1.00 0.00 WT1 O ATOM 17468 H1 TIP3 5782 28.010 67.161 17.711 1.00 0.00 WT1 H ATOM 17469 H2 TIP3 5782 27.868 65.930 18.580 1.00 0.00 WT1 H ATOM 17470 OH2 TIP3 5783 88.326 72.329 64.272 1.00 0.00 WT1 O ATOM 17471 H1 TIP3 5783 87.654 71.793 64.694 1.00 0.00 WT1 H ATOM 17472 H2 TIP3 5783 88.597 71.818 63.509 1.00 0.00 WT1 H ATOM 17473 OH2 TIP3 5784 40.443 12.405 46.082 1.00 0.00 WT1 O ATOM 17474 H1 TIP3 5784 41.217 11.844 46.129 1.00 0.00 WT1 H ATOM 17475 H2 TIP3 5784 40.500 12.958 46.861 1.00 0.00 WT1 H ATOM 17476 OH2 TIP3 5785 42.190 44.522 51.293 1.00 0.00 WT1 O ATOM 17477 H1 TIP3 5785 43.041 44.254 50.948 1.00 0.00 WT1 H ATOM 17478 H2 TIP3 5785 41.603 44.490 50.537 1.00 0.00 WT1 H ATOM 17479 OH2 TIP3 5786 83.910 79.967 20.747 1.00 0.00 WT1 O ATOM 17480 H1 TIP3 5786 84.823 80.249 20.702 1.00 0.00 WT1 H ATOM 17481 H2 TIP3 5786 83.715 79.933 21.684 1.00 0.00 WT1 H ATOM 17482 OH2 TIP3 5787 60.470 15.009 65.436 1.00 0.00 WT1 O ATOM 17483 H1 TIP3 5787 60.055 15.856 65.274 1.00 0.00 WT1 H ATOM 17484 H2 TIP3 5787 60.092 14.711 66.264 1.00 0.00 WT1 H ATOM 17485 OH2 TIP3 5788 21.288 17.771 55.999 1.00 0.00 WT1 O ATOM 17486 H1 TIP3 5788 20.610 18.439 56.096 1.00 0.00 WT1 H ATOM 17487 H2 TIP3 5788 22.001 18.070 56.564 1.00 0.00 WT1 H ATOM 17488 OH2 TIP3 5789 87.402 96.063 16.763 1.00 0.00 WT1 O ATOM 17489 H1 TIP3 5789 86.850 95.688 17.449 1.00 0.00 WT1 H ATOM 17490 H2 TIP3 5789 88.244 95.619 16.862 1.00 0.00 WT1 H ATOM 17491 OH2 TIP3 5790 54.957 95.019 12.999 1.00 0.00 WT1 O ATOM 17492 H1 TIP3 5790 55.341 94.945 12.125 1.00 0.00 WT1 H ATOM 17493 H2 TIP3 5790 55.159 95.914 13.274 1.00 0.00 WT1 H ATOM 17494 OH2 TIP3 5791 25.719 90.927 46.083 1.00 0.00 WT1 O ATOM 17495 H1 TIP3 5791 25.210 91.024 45.278 1.00 0.00 WT1 H ATOM 17496 H2 TIP3 5791 26.531 91.403 45.913 1.00 0.00 WT1 H ATOM 17497 OH2 TIP3 5792 28.508 25.661 -19.442 1.00 0.00 WT1 O ATOM 17498 H1 TIP3 5792 28.527 25.138 -20.243 1.00 0.00 WT1 H ATOM 17499 H2 TIP3 5792 29.363 25.513 -19.038 1.00 0.00 WT1 H ATOM 17500 OH2 TIP3 5793 73.486 35.622 -11.457 1.00 0.00 WT1 O ATOM 17501 H1 TIP3 5793 74.019 34.896 -11.131 1.00 0.00 WT1 H ATOM 17502 H2 TIP3 5793 73.988 36.406 -11.236 1.00 0.00 WT1 H ATOM 17503 OH2 TIP3 5794 54.426 85.282 6.636 1.00 0.00 WT1 O ATOM 17504 H1 TIP3 5794 54.251 86.221 6.705 1.00 0.00 WT1 H ATOM 17505 H2 TIP3 5794 55.094 85.113 7.300 1.00 0.00 WT1 H ATOM 17506 OH2 TIP3 5795 85.289 95.034 14.788 1.00 0.00 WT1 O ATOM 17507 H1 TIP3 5795 85.982 95.600 15.127 1.00 0.00 WT1 H ATOM 17508 H2 TIP3 5795 84.964 95.492 14.012 1.00 0.00 WT1 H ATOM 17509 OH2 TIP3 5796 63.763 1.279 18.525 1.00 0.00 WT1 O ATOM 17510 H1 TIP3 5796 63.970 2.036 19.073 1.00 0.00 WT1 H ATOM 17511 H2 TIP3 5796 63.663 0.555 19.144 1.00 0.00 WT1 H ATOM 17512 OH2 TIP3 5797 44.779 77.747 17.966 1.00 0.00 WT1 O ATOM 17513 H1 TIP3 5797 44.809 77.118 17.245 1.00 0.00 WT1 H ATOM 17514 H2 TIP3 5797 44.001 77.502 18.466 1.00 0.00 WT1 H ATOM 17515 OH2 TIP3 5798 89.733 54.351 37.403 1.00 0.00 WT1 O ATOM 17516 H1 TIP3 5798 90.092 53.587 37.855 1.00 0.00 WT1 H ATOM 17517 H2 TIP3 5798 89.289 54.848 38.089 1.00 0.00 WT1 H ATOM 17518 OH2 TIP3 5799 25.445 84.553 2.552 1.00 0.00 WT1 O ATOM 17519 H1 TIP3 5799 26.298 84.462 2.977 1.00 0.00 WT1 H ATOM 17520 H2 TIP3 5799 25.401 83.816 1.943 1.00 0.00 WT1 H ATOM 17521 OH2 TIP3 5800 59.517 82.883 -2.942 1.00 0.00 WT1 O ATOM 17522 H1 TIP3 5800 58.957 82.164 -3.237 1.00 0.00 WT1 H ATOM 17523 H2 TIP3 5800 59.992 82.524 -2.193 1.00 0.00 WT1 H ATOM 17524 OH2 TIP3 5801 66.393 28.714 38.760 1.00 0.00 WT1 O ATOM 17525 H1 TIP3 5801 67.318 28.801 38.991 1.00 0.00 WT1 H ATOM 17526 H2 TIP3 5801 65.924 28.896 39.575 1.00 0.00 WT1 H ATOM 17527 OH2 TIP3 5802 44.065 12.094 6.032 1.00 0.00 WT1 O ATOM 17528 H1 TIP3 5802 43.441 12.321 6.721 1.00 0.00 WT1 H ATOM 17529 H2 TIP3 5802 43.991 12.806 5.397 1.00 0.00 WT1 H ATOM 17530 OH2 TIP3 5803 54.624 64.221 11.562 1.00 0.00 WT1 O ATOM 17531 H1 TIP3 5803 55.348 63.768 11.993 1.00 0.00 WT1 H ATOM 17532 H2 TIP3 5803 54.997 64.544 10.742 1.00 0.00 WT1 H ATOM 17533 OH2 TIP3 5804 69.852 37.405 -4.692 1.00 0.00 WT1 O ATOM 17534 H1 TIP3 5804 70.676 37.884 -4.782 1.00 0.00 WT1 H ATOM 17535 H2 TIP3 5804 70.077 36.636 -4.168 1.00 0.00 WT1 H ATOM 17536 OH2 TIP3 5805 66.544 84.755 64.940 1.00 0.00 WT1 O ATOM 17537 H1 TIP3 5805 67.209 84.182 64.559 1.00 0.00 WT1 H ATOM 17538 H2 TIP3 5805 65.713 84.405 64.619 1.00 0.00 WT1 H ATOM 17539 OH2 TIP3 5806 33.417 91.493 -6.212 1.00 0.00 WT1 O ATOM 17540 H1 TIP3 5806 33.805 91.386 -5.343 1.00 0.00 WT1 H ATOM 17541 H2 TIP3 5806 32.906 92.300 -6.148 1.00 0.00 WT1 H ATOM 17542 OH2 TIP3 5807 58.557 95.187 27.440 1.00 0.00 WT1 O ATOM 17543 H1 TIP3 5807 58.582 94.232 27.501 1.00 0.00 WT1 H ATOM 17544 H2 TIP3 5807 58.315 95.478 28.319 1.00 0.00 WT1 H ATOM 17545 OH2 TIP3 5808 27.471 1.965 2.017 1.00 0.00 WT1 O ATOM 17546 H1 TIP3 5808 26.863 2.705 2.021 1.00 0.00 WT1 H ATOM 17547 H2 TIP3 5808 28.159 2.223 1.403 1.00 0.00 WT1 H ATOM 17548 OH2 TIP3 5809 60.589 6.425 22.765 1.00 0.00 WT1 O ATOM 17549 H1 TIP3 5809 60.366 6.348 21.837 1.00 0.00 WT1 H ATOM 17550 H2 TIP3 5809 60.637 7.367 22.923 1.00 0.00 WT1 H ATOM 17551 OH2 TIP3 5810 59.551 91.544 -12.994 1.00 0.00 WT1 O ATOM 17552 H1 TIP3 5810 58.902 92.143 -13.363 1.00 0.00 WT1 H ATOM 17553 H2 TIP3 5810 59.238 91.369 -12.107 1.00 0.00 WT1 H ATOM 17554 OH2 TIP3 5813 57.682 95.779 0.387 1.00 0.00 WT1 O ATOM 17555 H1 TIP3 5813 57.245 95.272 1.071 1.00 0.00 WT1 H ATOM 17556 H2 TIP3 5813 58.340 96.294 0.854 1.00 0.00 WT1 H ATOM 17557 OH2 TIP3 5814 80.909 58.246 54.475 1.00 0.00 WT1 O ATOM 17558 H1 TIP3 5814 81.023 58.238 53.524 1.00 0.00 WT1 H ATOM 17559 H2 TIP3 5814 81.262 57.406 54.766 1.00 0.00 WT1 H ATOM 17560 OH2 TIP3 5815 89.238 32.251 45.891 1.00 0.00 WT1 O ATOM 17561 H1 TIP3 5815 88.517 32.512 46.464 1.00 0.00 WT1 H ATOM 17562 H2 TIP3 5815 89.182 31.296 45.854 1.00 0.00 WT1 H ATOM 17563 OH2 TIP3 5816 70.213 32.065 36.735 1.00 0.00 WT1 O ATOM 17564 H1 TIP3 5816 69.384 32.520 36.585 1.00 0.00 WT1 H ATOM 17565 H2 TIP3 5816 70.791 32.384 36.042 1.00 0.00 WT1 H ATOM 17566 OH2 TIP3 5817 83.556 86.018 63.385 1.00 0.00 WT1 O ATOM 17567 H1 TIP3 5817 83.186 85.481 62.684 1.00 0.00 WT1 H ATOM 17568 H2 TIP3 5817 83.105 85.724 64.176 1.00 0.00 WT1 H ATOM 17569 OH2 TIP3 5818 41.714 50.674 -11.425 1.00 0.00 WT1 O ATOM 17570 H1 TIP3 5818 42.040 51.525 -11.716 1.00 0.00 WT1 H ATOM 17571 H2 TIP3 5818 41.827 50.686 -10.474 1.00 0.00 WT1 H ATOM 17572 OH2 TIP3 5819 35.015 4.715 1.207 1.00 0.00 WT1 O ATOM 17573 H1 TIP3 5819 35.494 5.316 1.778 1.00 0.00 WT1 H ATOM 17574 H2 TIP3 5819 35.058 3.871 1.656 1.00 0.00 WT1 H ATOM 17575 OH2 TIP3 5820 35.431 90.802 3.061 1.00 0.00 WT1 O ATOM 17576 H1 TIP3 5820 35.373 91.757 3.022 1.00 0.00 WT1 H ATOM 17577 H2 TIP3 5820 35.118 90.578 3.937 1.00 0.00 WT1 H ATOM 17578 OH2 TIP3 5821 64.659 0.239 -19.351 1.00 0.00 WT1 O ATOM 17579 H1 TIP3 5821 63.705 0.186 -19.415 1.00 0.00 WT1 H ATOM 17580 H2 TIP3 5821 64.818 0.829 -18.615 1.00 0.00 WT1 H ATOM 17581 OH2 TIP3 5822 63.841 73.879 -17.659 1.00 0.00 WT1 O ATOM 17582 H1 TIP3 5822 63.296 74.666 -17.654 1.00 0.00 WT1 H ATOM 17583 H2 TIP3 5822 64.438 74.005 -18.396 1.00 0.00 WT1 H ATOM 17584 OH2 TIP3 5823 23.650 37.148 -13.229 1.00 0.00 WT1 O ATOM 17585 H1 TIP3 5823 23.597 38.101 -13.153 1.00 0.00 WT1 H ATOM 17586 H2 TIP3 5823 24.117 36.998 -14.051 1.00 0.00 WT1 H ATOM 17587 OH2 TIP3 5824 63.046 58.256 -13.497 1.00 0.00 WT1 O ATOM 17588 H1 TIP3 5824 62.974 58.718 -14.332 1.00 0.00 WT1 H ATOM 17589 H2 TIP3 5824 63.202 58.947 -12.854 1.00 0.00 WT1 H ATOM 17590 OH2 TIP3 5826 70.698 60.736 31.741 1.00 0.00 WT1 O ATOM 17591 H1 TIP3 5826 69.987 60.565 32.358 1.00 0.00 WT1 H ATOM 17592 H2 TIP3 5826 70.465 60.235 30.960 1.00 0.00 WT1 H ATOM 17593 OH2 TIP3 5827 83.322 3.768 50.147 1.00 0.00 WT1 O ATOM 17594 H1 TIP3 5827 83.130 4.498 49.557 1.00 0.00 WT1 H ATOM 17595 H2 TIP3 5827 83.371 3.003 49.574 1.00 0.00 WT1 H ATOM 17596 OH2 TIP3 5828 25.654 96.120 -13.061 1.00 0.00 WT1 O ATOM 17597 H1 TIP3 5828 26.459 96.637 -13.030 1.00 0.00 WT1 H ATOM 17598 H2 TIP3 5828 25.886 95.344 -13.570 1.00 0.00 WT1 H ATOM 17599 OH2 TIP3 5830 56.083 74.527 26.772 1.00 0.00 WT1 O ATOM 17600 H1 TIP3 5830 55.705 73.662 26.932 1.00 0.00 WT1 H ATOM 17601 H2 TIP3 5830 55.658 74.829 25.969 1.00 0.00 WT1 H ATOM 17602 OH2 TIP3 5831 88.825 52.394 30.437 1.00 0.00 WT1 O ATOM 17603 H1 TIP3 5831 89.306 53.221 30.431 1.00 0.00 WT1 H ATOM 17604 H2 TIP3 5831 88.575 52.255 29.523 1.00 0.00 WT1 H ATOM 17605 OH2 TIP3 5832 50.023 39.317 -18.315 1.00 0.00 WT1 O ATOM 17606 H1 TIP3 5832 50.093 39.950 -17.600 1.00 0.00 WT1 H ATOM 17607 H2 TIP3 5832 50.381 38.506 -17.953 1.00 0.00 WT1 H ATOM 17608 OH2 TIP3 5833 40.773 69.222 51.978 1.00 0.00 WT1 O ATOM 17609 H1 TIP3 5833 41.187 69.654 51.230 1.00 0.00 WT1 H ATOM 17610 H2 TIP3 5833 41.264 69.534 52.738 1.00 0.00 WT1 H ATOM 17611 OH2 TIP3 5834 48.294 30.415 56.800 1.00 0.00 WT1 O ATOM 17612 H1 TIP3 5834 47.849 31.077 56.271 1.00 0.00 WT1 H ATOM 17613 H2 TIP3 5834 48.411 30.831 57.655 1.00 0.00 WT1 H ATOM 17614 OH2 TIP3 5835 51.444 91.966 15.943 1.00 0.00 WT1 O ATOM 17615 H1 TIP3 5835 51.624 92.535 15.195 1.00 0.00 WT1 H ATOM 17616 H2 TIP3 5835 52.229 91.426 16.029 1.00 0.00 WT1 H ATOM 17617 OH2 TIP3 5836 47.774 75.084 31.372 1.00 0.00 WT1 O ATOM 17618 H1 TIP3 5836 48.044 74.168 31.298 1.00 0.00 WT1 H ATOM 17619 H2 TIP3 5836 47.950 75.313 32.284 1.00 0.00 WT1 H ATOM 17620 OH2 TIP3 5837 40.782 67.794 -3.166 1.00 0.00 WT1 O ATOM 17621 H1 TIP3 5837 41.089 67.247 -2.443 1.00 0.00 WT1 H ATOM 17622 H2 TIP3 5837 40.475 68.597 -2.745 1.00 0.00 WT1 H ATOM 17623 OH2 TIP3 5838 81.864 74.505 -1.633 1.00 0.00 WT1 O ATOM 17624 H1 TIP3 5838 80.968 74.496 -1.298 1.00 0.00 WT1 H ATOM 17625 H2 TIP3 5838 82.223 73.654 -1.380 1.00 0.00 WT1 H ATOM 17626 OH2 TIP3 5839 32.186 25.178 22.606 1.00 0.00 WT1 O ATOM 17627 H1 TIP3 5839 31.555 25.763 22.185 1.00 0.00 WT1 H ATOM 17628 H2 TIP3 5839 32.687 24.805 21.881 1.00 0.00 WT1 H ATOM 17629 OH2 TIP3 5840 88.621 57.566 6.043 1.00 0.00 WT1 O ATOM 17630 H1 TIP3 5840 87.927 56.925 5.891 1.00 0.00 WT1 H ATOM 17631 H2 TIP3 5840 88.707 58.029 5.210 1.00 0.00 WT1 H ATOM 17632 OH2 TIP3 5841 82.449 9.236 50.838 1.00 0.00 WT1 O ATOM 17633 H1 TIP3 5841 81.823 9.554 51.489 1.00 0.00 WT1 H ATOM 17634 H2 TIP3 5841 82.625 8.331 51.097 1.00 0.00 WT1 H ATOM 17635 OH2 TIP3 5842 58.580 5.781 -1.163 1.00 0.00 WT1 O ATOM 17636 H1 TIP3 5842 58.831 6.370 -0.451 1.00 0.00 WT1 H ATOM 17637 H2 TIP3 5842 58.243 5.002 -0.722 1.00 0.00 WT1 H ATOM 17638 OH2 TIP3 5843 73.546 78.091 57.464 1.00 0.00 WT1 O ATOM 17639 H1 TIP3 5843 73.634 77.876 58.393 1.00 0.00 WT1 H ATOM 17640 H2 TIP3 5843 73.141 78.958 57.455 1.00 0.00 WT1 H ATOM 17641 OH2 TIP3 5844 61.532 89.590 -1.317 1.00 0.00 WT1 O ATOM 17642 H1 TIP3 5844 61.866 88.873 -0.777 1.00 0.00 WT1 H ATOM 17643 H2 TIP3 5844 60.901 89.173 -1.904 1.00 0.00 WT1 H ATOM 17644 OH2 TIP3 5845 21.991 22.629 4.699 1.00 0.00 WT1 O ATOM 17645 H1 TIP3 5845 21.756 22.584 5.626 1.00 0.00 WT1 H ATOM 17646 H2 TIP3 5845 22.945 22.550 4.689 1.00 0.00 WT1 H ATOM 17647 OH2 TIP3 5846 79.708 32.724 11.654 1.00 0.00 WT1 O ATOM 17648 H1 TIP3 5846 80.368 33.336 11.982 1.00 0.00 WT1 H ATOM 17649 H2 TIP3 5846 80.123 32.306 10.900 1.00 0.00 WT1 H ATOM 17650 OH2 TIP3 5847 54.419 35.075 46.180 1.00 0.00 WT1 O ATOM 17651 H1 TIP3 5847 55.348 35.265 46.047 1.00 0.00 WT1 H ATOM 17652 H2 TIP3 5847 54.268 34.264 45.695 1.00 0.00 WT1 H ATOM 17653 OH2 TIP3 5848 68.004 24.676 62.671 1.00 0.00 WT1 O ATOM 17654 H1 TIP3 5848 67.169 24.314 62.374 1.00 0.00 WT1 H ATOM 17655 H2 TIP3 5848 67.820 25.016 63.547 1.00 0.00 WT1 H ATOM 17656 OH2 TIP3 5850 79.365 74.270 -1.082 1.00 0.00 WT1 O ATOM 17657 H1 TIP3 5850 79.256 73.426 -0.645 1.00 0.00 WT1 H ATOM 17658 H2 TIP3 5850 78.472 74.562 -1.267 1.00 0.00 WT1 H ATOM 17659 OH2 TIP3 5851 25.364 45.071 35.462 1.00 0.00 WT1 O ATOM 17660 H1 TIP3 5851 24.437 45.259 35.612 1.00 0.00 WT1 H ATOM 17661 H2 TIP3 5851 25.463 44.149 35.698 1.00 0.00 WT1 H ATOM 17662 OH2 TIP3 5852 32.238 6.754 -6.526 1.00 0.00 WT1 O ATOM 17663 H1 TIP3 5852 32.253 7.379 -5.801 1.00 0.00 WT1 H ATOM 17664 H2 TIP3 5852 31.357 6.832 -6.892 1.00 0.00 WT1 H ATOM 17665 OH2 TIP3 5853 87.048 40.745 48.027 1.00 0.00 WT1 O ATOM 17666 H1 TIP3 5853 86.416 40.627 48.736 1.00 0.00 WT1 H ATOM 17667 H2 TIP3 5853 87.864 40.978 48.470 1.00 0.00 WT1 H ATOM 17668 OH2 TIP3 5854 68.071 70.941 31.865 1.00 0.00 WT1 O ATOM 17669 H1 TIP3 5854 67.782 71.161 30.980 1.00 0.00 WT1 H ATOM 17670 H2 TIP3 5854 67.955 69.993 31.927 1.00 0.00 WT1 H ATOM 17671 OH2 TIP3 5855 39.203 84.985 -13.445 1.00 0.00 WT1 O ATOM 17672 H1 TIP3 5855 39.030 84.375 -12.728 1.00 0.00 WT1 H ATOM 17673 H2 TIP3 5855 39.469 85.796 -13.012 1.00 0.00 WT1 H ATOM 17674 OH2 TIP3 5856 89.769 54.292 34.514 1.00 0.00 WT1 O ATOM 17675 H1 TIP3 5856 89.636 54.187 35.456 1.00 0.00 WT1 H ATOM 17676 H2 TIP3 5856 89.112 54.936 34.249 1.00 0.00 WT1 H ATOM 17677 OH2 TIP3 5857 40.766 67.705 54.740 1.00 0.00 WT1 O ATOM 17678 H1 TIP3 5857 41.639 68.033 54.955 1.00 0.00 WT1 H ATOM 17679 H2 TIP3 5857 40.750 66.815 55.094 1.00 0.00 WT1 H ATOM 17680 OH2 TIP3 5858 26.006 84.128 30.064 1.00 0.00 WT1 O ATOM 17681 H1 TIP3 5858 26.804 84.539 29.730 1.00 0.00 WT1 H ATOM 17682 H2 TIP3 5858 26.066 84.225 31.014 1.00 0.00 WT1 H ATOM 17683 OH2 TIP3 5859 32.460 88.560 0.620 1.00 0.00 WT1 O ATOM 17684 H1 TIP3 5859 31.518 88.708 0.705 1.00 0.00 WT1 H ATOM 17685 H2 TIP3 5859 32.682 88.000 1.363 1.00 0.00 WT1 H ATOM 17686 OH2 TIP3 5860 66.826 10.485 37.543 1.00 0.00 WT1 O ATOM 17687 H1 TIP3 5860 67.244 11.030 36.876 1.00 0.00 WT1 H ATOM 17688 H2 TIP3 5860 66.207 9.941 37.057 1.00 0.00 WT1 H ATOM 17689 OH2 TIP3 5861 30.574 4.071 28.967 1.00 0.00 WT1 O ATOM 17690 H1 TIP3 5861 30.423 4.927 28.566 1.00 0.00 WT1 H ATOM 17691 H2 TIP3 5861 30.276 3.442 28.310 1.00 0.00 WT1 H ATOM 17692 OH2 TIP3 5862 25.532 59.373 6.975 1.00 0.00 WT1 O ATOM 17693 H1 TIP3 5862 26.450 59.551 7.180 1.00 0.00 WT1 H ATOM 17694 H2 TIP3 5862 25.179 60.221 6.703 1.00 0.00 WT1 H ATOM 17695 OH2 TIP3 5863 60.690 89.473 2.596 1.00 0.00 WT1 O ATOM 17696 H1 TIP3 5863 59.972 89.701 2.006 1.00 0.00 WT1 H ATOM 17697 H2 TIP3 5863 60.379 88.700 3.066 1.00 0.00 WT1 H ATOM 17698 OH2 TIP3 5865 48.811 94.222 32.244 1.00 0.00 WT1 O ATOM 17699 H1 TIP3 5865 49.733 94.348 32.019 1.00 0.00 WT1 H ATOM 17700 H2 TIP3 5865 48.543 93.454 31.740 1.00 0.00 WT1 H ATOM 17701 OH2 TIP3 5866 43.790 38.072 57.538 1.00 0.00 WT1 O ATOM 17702 H1 TIP3 5866 44.641 38.507 57.481 1.00 0.00 WT1 H ATOM 17703 H2 TIP3 5866 43.468 38.054 56.637 1.00 0.00 WT1 H ATOM 17704 OH2 TIP3 5867 82.942 86.988 26.288 1.00 0.00 WT1 O ATOM 17705 H1 TIP3 5867 83.030 86.668 27.186 1.00 0.00 WT1 H ATOM 17706 H2 TIP3 5867 82.533 86.264 25.815 1.00 0.00 WT1 H ATOM 17707 OH2 TIP3 5868 35.963 95.922 56.455 1.00 0.00 WT1 O ATOM 17708 H1 TIP3 5868 35.733 96.244 57.326 1.00 0.00 WT1 H ATOM 17709 H2 TIP3 5868 35.999 94.971 56.553 1.00 0.00 WT1 H ATOM 17710 OH2 TIP3 5869 28.859 34.517 13.125 1.00 0.00 WT1 O ATOM 17711 H1 TIP3 5869 28.806 34.725 12.192 1.00 0.00 WT1 H ATOM 17712 H2 TIP3 5869 29.732 34.811 13.388 1.00 0.00 WT1 H ATOM 17713 OH2 TIP3 5871 55.411 32.340 -5.211 1.00 0.00 WT1 O ATOM 17714 H1 TIP3 5871 54.470 32.320 -5.380 1.00 0.00 WT1 H ATOM 17715 H2 TIP3 5871 55.520 33.014 -4.540 1.00 0.00 WT1 H ATOM 17716 OH2 TIP3 5872 30.125 37.709 -4.594 1.00 0.00 WT1 O ATOM 17717 H1 TIP3 5872 30.215 37.012 -3.943 1.00 0.00 WT1 H ATOM 17718 H2 TIP3 5872 29.490 38.314 -4.211 1.00 0.00 WT1 H ATOM 17719 OH2 TIP3 5873 28.475 40.450 -10.981 1.00 0.00 WT1 O ATOM 17720 H1 TIP3 5873 27.643 40.507 -11.452 1.00 0.00 WT1 H ATOM 17721 H2 TIP3 5873 28.821 39.588 -11.211 1.00 0.00 WT1 H ATOM 17722 OH2 TIP3 5874 50.660 81.633 -10.674 1.00 0.00 WT1 O ATOM 17723 H1 TIP3 5874 51.048 81.267 -11.469 1.00 0.00 WT1 H ATOM 17724 H2 TIP3 5874 49.736 81.755 -10.893 1.00 0.00 WT1 H ATOM 17725 OH2 TIP3 5875 63.573 86.632 3.393 1.00 0.00 WT1 O ATOM 17726 H1 TIP3 5875 63.474 87.584 3.393 1.00 0.00 WT1 H ATOM 17727 H2 TIP3 5875 64.421 86.479 2.975 1.00 0.00 WT1 H ATOM 17728 OH2 TIP3 5876 77.653 13.859 56.468 1.00 0.00 WT1 O ATOM 17729 H1 TIP3 5876 78.239 14.338 55.882 1.00 0.00 WT1 H ATOM 17730 H2 TIP3 5876 77.573 12.992 56.072 1.00 0.00 WT1 H ATOM 17731 OH2 TIP3 5877 36.561 4.083 43.020 1.00 0.00 WT1 O ATOM 17732 H1 TIP3 5877 35.628 3.891 43.112 1.00 0.00 WT1 H ATOM 17733 H2 TIP3 5877 36.937 3.279 42.661 1.00 0.00 WT1 H ATOM 17734 OH2 TIP3 5878 61.225 35.430 62.483 1.00 0.00 WT1 O ATOM 17735 H1 TIP3 5878 61.570 36.320 62.407 1.00 0.00 WT1 H ATOM 17736 H2 TIP3 5878 62.002 34.875 62.542 1.00 0.00 WT1 H ATOM 17737 OH2 TIP3 5879 35.228 26.735 45.789 1.00 0.00 WT1 O ATOM 17738 H1 TIP3 5879 35.529 26.885 44.893 1.00 0.00 WT1 H ATOM 17739 H2 TIP3 5879 35.732 25.979 46.088 1.00 0.00 WT1 H ATOM 17740 OH2 TIP3 5880 53.492 91.611 -7.015 1.00 0.00 WT1 O ATOM 17741 H1 TIP3 5880 54.375 91.875 -6.755 1.00 0.00 WT1 H ATOM 17742 H2 TIP3 5880 53.329 92.088 -7.829 1.00 0.00 WT1 H ATOM 17743 OH2 TIP3 5881 70.987 72.849 -3.799 1.00 0.00 WT1 O ATOM 17744 H1 TIP3 5881 71.222 73.668 -3.363 1.00 0.00 WT1 H ATOM 17745 H2 TIP3 5881 70.849 72.228 -3.084 1.00 0.00 WT1 H ATOM 17746 OH2 TIP3 5882 86.274 84.937 26.562 1.00 0.00 WT1 O ATOM 17747 H1 TIP3 5882 85.374 84.948 26.890 1.00 0.00 WT1 H ATOM 17748 H2 TIP3 5882 86.578 84.045 26.726 1.00 0.00 WT1 H ATOM 17749 OH2 TIP3 5883 84.154 75.783 4.090 1.00 0.00 WT1 O ATOM 17750 H1 TIP3 5883 84.549 76.322 4.776 1.00 0.00 WT1 H ATOM 17751 H2 TIP3 5883 84.283 76.286 3.286 1.00 0.00 WT1 H ATOM 17752 OH2 TIP3 5884 82.404 74.962 -15.032 1.00 0.00 WT1 O ATOM 17753 H1 TIP3 5884 83.314 75.098 -15.297 1.00 0.00 WT1 H ATOM 17754 H2 TIP3 5884 82.091 75.835 -14.794 1.00 0.00 WT1 H ATOM 17755 OH2 TIP3 5885 29.573 6.882 12.672 1.00 0.00 WT1 O ATOM 17756 H1 TIP3 5885 29.138 7.707 12.460 1.00 0.00 WT1 H ATOM 17757 H2 TIP3 5885 30.460 6.982 12.325 1.00 0.00 WT1 H ATOM 17758 OH2 TIP3 5886 73.909 18.484 -0.009 1.00 0.00 WT1 O ATOM 17759 H1 TIP3 5886 73.620 19.308 0.385 1.00 0.00 WT1 H ATOM 17760 H2 TIP3 5886 73.446 17.807 0.485 1.00 0.00 WT1 H ATOM 17761 OH2 TIP3 5887 65.045 53.561 13.455 1.00 0.00 WT1 O ATOM 17762 H1 TIP3 5887 64.333 53.872 14.014 1.00 0.00 WT1 H ATOM 17763 H2 TIP3 5887 65.207 54.284 12.848 1.00 0.00 WT1 H ATOM 17764 OH2 TIP3 5888 49.834 1.186 47.622 1.00 0.00 WT1 O ATOM 17765 H1 TIP3 5888 50.327 0.761 48.323 1.00 0.00 WT1 H ATOM 17766 H2 TIP3 5888 49.971 0.626 46.858 1.00 0.00 WT1 H ATOM 17767 OH2 TIP3 5889 41.221 31.454 -9.480 1.00 0.00 WT1 O ATOM 17768 H1 TIP3 5889 41.341 30.791 -8.800 1.00 0.00 WT1 H ATOM 17769 H2 TIP3 5889 40.554 32.043 -9.127 1.00 0.00 WT1 H ATOM 17770 OH2 TIP3 5890 70.397 83.449 46.237 1.00 0.00 WT1 O ATOM 17771 H1 TIP3 5890 70.697 84.276 46.614 1.00 0.00 WT1 H ATOM 17772 H2 TIP3 5890 69.598 83.240 46.720 1.00 0.00 WT1 H ATOM 17773 OH2 TIP3 5891 58.977 82.968 19.028 1.00 0.00 WT1 O ATOM 17774 H1 TIP3 5891 58.572 83.292 18.224 1.00 0.00 WT1 H ATOM 17775 H2 TIP3 5891 58.300 83.070 19.696 1.00 0.00 WT1 H ATOM 17776 OH2 TIP3 5893 54.376 31.071 17.286 1.00 0.00 WT1 O ATOM 17777 H1 TIP3 5893 54.196 31.703 17.981 1.00 0.00 WT1 H ATOM 17778 H2 TIP3 5893 53.526 30.677 17.093 1.00 0.00 WT1 H ATOM 17779 OH2 TIP3 5894 24.847 57.727 63.226 1.00 0.00 WT1 O ATOM 17780 H1 TIP3 5894 24.810 57.996 62.308 1.00 0.00 WT1 H ATOM 17781 H2 TIP3 5894 24.052 57.210 63.357 1.00 0.00 WT1 H ATOM 17782 OH2 TIP3 5896 79.653 55.031 -10.556 1.00 0.00 WT1 O ATOM 17783 H1 TIP3 5896 79.671 54.561 -9.722 1.00 0.00 WT1 H ATOM 17784 H2 TIP3 5896 80.155 54.478 -11.154 1.00 0.00 WT1 H ATOM 17785 OH2 TIP3 5897 21.591 27.047 64.197 1.00 0.00 WT1 O ATOM 17786 H1 TIP3 5897 22.508 26.773 64.218 1.00 0.00 WT1 H ATOM 17787 H2 TIP3 5897 21.293 26.958 65.103 1.00 0.00 WT1 H ATOM 17788 OH2 TIP3 5898 59.008 87.183 41.416 1.00 0.00 WT1 O ATOM 17789 H1 TIP3 5898 59.645 86.727 41.967 1.00 0.00 WT1 H ATOM 17790 H2 TIP3 5898 58.158 86.867 41.721 1.00 0.00 WT1 H ATOM 17791 OH2 TIP3 5899 41.255 1.236 -15.698 1.00 0.00 WT1 O ATOM 17792 H1 TIP3 5899 40.600 1.930 -15.772 1.00 0.00 WT1 H ATOM 17793 H2 TIP3 5899 41.009 0.758 -14.906 1.00 0.00 WT1 H ATOM 17794 OH2 TIP3 5900 29.333 35.959 57.110 1.00 0.00 WT1 O ATOM 17795 H1 TIP3 5900 29.389 36.232 56.194 1.00 0.00 WT1 H ATOM 17796 H2 TIP3 5900 30.121 36.320 57.517 1.00 0.00 WT1 H ATOM 17797 OH2 TIP3 5901 46.426 16.196 -19.208 1.00 0.00 WT1 O ATOM 17798 H1 TIP3 5901 46.190 16.996 -18.740 1.00 0.00 WT1 H ATOM 17799 H2 TIP3 5901 46.751 16.500 -20.055 1.00 0.00 WT1 H ATOM 17800 OH2 TIP3 5902 45.269 48.534 39.380 1.00 0.00 WT1 O ATOM 17801 H1 TIP3 5902 46.094 48.816 38.986 1.00 0.00 WT1 H ATOM 17802 H2 TIP3 5902 44.709 48.315 38.635 1.00 0.00 WT1 H ATOM 17803 OH2 TIP3 5903 26.745 21.009 11.963 1.00 0.00 WT1 O ATOM 17804 H1 TIP3 5903 27.424 20.438 11.603 1.00 0.00 WT1 H ATOM 17805 H2 TIP3 5903 26.458 21.538 11.218 1.00 0.00 WT1 H ATOM 17806 OH2 TIP3 5904 53.708 53.096 -5.168 1.00 0.00 WT1 O ATOM 17807 H1 TIP3 5904 53.704 53.222 -4.219 1.00 0.00 WT1 H ATOM 17808 H2 TIP3 5904 54.516 53.516 -5.462 1.00 0.00 WT1 H ATOM 17809 OH2 TIP3 5906 66.428 78.861 37.810 1.00 0.00 WT1 O ATOM 17810 H1 TIP3 5906 67.112 79.204 37.236 1.00 0.00 WT1 H ATOM 17811 H2 TIP3 5906 66.201 78.012 37.432 1.00 0.00 WT1 H ATOM 17812 OH2 TIP3 5907 51.127 4.833 61.305 1.00 0.00 WT1 O ATOM 17813 H1 TIP3 5907 50.556 5.053 62.041 1.00 0.00 WT1 H ATOM 17814 H2 TIP3 5907 51.993 4.722 61.699 1.00 0.00 WT1 H ATOM 17815 OH2 TIP3 5909 59.234 5.574 12.124 1.00 0.00 WT1 O ATOM 17816 H1 TIP3 5909 58.280 5.625 12.182 1.00 0.00 WT1 H ATOM 17817 H2 TIP3 5909 59.432 5.822 11.220 1.00 0.00 WT1 H ATOM 17818 OH2 TIP3 5911 42.270 15.707 -15.738 1.00 0.00 WT1 O ATOM 17819 H1 TIP3 5911 43.218 15.833 -15.696 1.00 0.00 WT1 H ATOM 17820 H2 TIP3 5911 42.138 14.793 -15.486 1.00 0.00 WT1 H ATOM 17821 OH2 TIP3 5912 68.335 89.366 57.991 1.00 0.00 WT1 O ATOM 17822 H1 TIP3 5912 68.041 89.124 57.113 1.00 0.00 WT1 H ATOM 17823 H2 TIP3 5912 68.509 90.306 57.936 1.00 0.00 WT1 H ATOM 17824 OH2 TIP3 5914 47.966 10.879 22.001 1.00 0.00 WT1 O ATOM 17825 H1 TIP3 5914 47.778 11.788 22.234 1.00 0.00 WT1 H ATOM 17826 H2 TIP3 5914 47.124 10.432 22.080 1.00 0.00 WT1 H ATOM 17827 OH2 TIP3 5915 47.939 18.245 -7.449 1.00 0.00 WT1 O ATOM 17828 H1 TIP3 5915 47.829 18.164 -6.502 1.00 0.00 WT1 H ATOM 17829 H2 TIP3 5915 47.134 18.666 -7.750 1.00 0.00 WT1 H ATOM 17830 OH2 TIP3 5916 52.606 84.542 49.698 1.00 0.00 WT1 O ATOM 17831 H1 TIP3 5916 53.002 85.407 49.806 1.00 0.00 WT1 H ATOM 17832 H2 TIP3 5916 52.341 84.287 50.581 1.00 0.00 WT1 H ATOM 17833 OH2 TIP3 5917 45.782 89.390 19.739 1.00 0.00 WT1 O ATOM 17834 H1 TIP3 5917 46.668 89.619 19.459 1.00 0.00 WT1 H ATOM 17835 H2 TIP3 5917 45.346 89.098 18.938 1.00 0.00 WT1 H ATOM 17836 OH2 TIP3 5919 49.053 92.115 63.111 1.00 0.00 WT1 O ATOM 17837 H1 TIP3 5919 49.245 91.397 62.508 1.00 0.00 WT1 H ATOM 17838 H2 TIP3 5919 48.926 92.876 62.545 1.00 0.00 WT1 H ATOM 17839 OH2 TIP3 5920 51.157 45.363 64.687 1.00 0.00 WT1 O ATOM 17840 H1 TIP3 5920 51.527 44.498 64.509 1.00 0.00 WT1 H ATOM 17841 H2 TIP3 5920 50.684 45.591 63.886 1.00 0.00 WT1 H ATOM 17842 OH2 TIP3 5921 47.117 12.318 46.550 1.00 0.00 WT1 O ATOM 17843 H1 TIP3 5921 47.430 12.465 45.657 1.00 0.00 WT1 H ATOM 17844 H2 TIP3 5921 46.165 12.389 46.485 1.00 0.00 WT1 H ATOM 17845 OH2 TIP3 5923 40.134 88.621 -7.408 1.00 0.00 WT1 O ATOM 17846 H1 TIP3 5923 40.258 88.965 -6.524 1.00 0.00 WT1 H ATOM 17847 H2 TIP3 5923 39.188 88.499 -7.488 1.00 0.00 WT1 H ATOM 17848 OH2 TIP3 5924 74.572 54.591 0.307 1.00 0.00 WT1 O ATOM 17849 H1 TIP3 5924 73.828 54.040 0.063 1.00 0.00 WT1 H ATOM 17850 H2 TIP3 5924 74.432 54.786 1.233 1.00 0.00 WT1 H ATOM 17851 OH2 TIP3 5925 57.009 85.077 2.082 1.00 0.00 WT1 O ATOM 17852 H1 TIP3 5925 56.174 84.668 1.856 1.00 0.00 WT1 H ATOM 17853 H2 TIP3 5925 56.962 85.213 3.028 1.00 0.00 WT1 H ATOM 17854 OH2 TIP3 5926 72.400 60.499 16.429 1.00 0.00 WT1 O ATOM 17855 H1 TIP3 5926 72.686 59.779 15.866 1.00 0.00 WT1 H ATOM 17856 H2 TIP3 5926 71.542 60.224 16.752 1.00 0.00 WT1 H ATOM 17857 OH2 TIP3 5927 63.069 31.624 32.695 1.00 0.00 WT1 O ATOM 17858 H1 TIP3 5927 63.981 31.785 32.455 1.00 0.00 WT1 H ATOM 17859 H2 TIP3 5927 62.570 32.262 32.185 1.00 0.00 WT1 H ATOM 17860 OH2 TIP3 5928 78.143 43.643 7.311 1.00 0.00 WT1 O ATOM 17861 H1 TIP3 5928 78.614 44.331 7.780 1.00 0.00 WT1 H ATOM 17862 H2 TIP3 5928 77.591 44.113 6.686 1.00 0.00 WT1 H ATOM 17863 OH2 TIP3 5929 37.499 74.711 21.017 1.00 0.00 WT1 O ATOM 17864 H1 TIP3 5929 37.788 74.643 21.927 1.00 0.00 WT1 H ATOM 17865 H2 TIP3 5929 38.281 74.509 20.502 1.00 0.00 WT1 H ATOM 17866 OH2 TIP3 5930 38.287 42.198 40.299 1.00 0.00 WT1 O ATOM 17867 H1 TIP3 5930 37.652 41.905 39.647 1.00 0.00 WT1 H ATOM 17868 H2 TIP3 5930 39.116 41.809 40.019 1.00 0.00 WT1 H ATOM 17869 OH2 TIP3 5931 85.691 55.528 -19.252 1.00 0.00 WT1 O ATOM 17870 H1 TIP3 5931 85.383 54.946 -19.947 1.00 0.00 WT1 H ATOM 17871 H2 TIP3 5931 85.665 54.992 -18.460 1.00 0.00 WT1 H ATOM 17872 OH2 TIP3 5932 59.379 33.141 38.182 1.00 0.00 WT1 O ATOM 17873 H1 TIP3 5932 59.803 32.355 37.836 1.00 0.00 WT1 H ATOM 17874 H2 TIP3 5932 60.080 33.616 38.626 1.00 0.00 WT1 H ATOM 17875 OH2 TIP3 5934 32.713 48.309 29.047 1.00 0.00 WT1 O ATOM 17876 H1 TIP3 5934 33.378 47.972 28.447 1.00 0.00 WT1 H ATOM 17877 H2 TIP3 5934 32.928 47.911 29.891 1.00 0.00 WT1 H ATOM 17878 OH2 TIP3 5936 33.800 35.811 4.809 1.00 0.00 WT1 O ATOM 17879 H1 TIP3 5936 33.362 34.962 4.764 1.00 0.00 WT1 H ATOM 17880 H2 TIP3 5936 34.548 35.665 5.388 1.00 0.00 WT1 H ATOM 17881 OH2 TIP3 5937 77.493 40.930 11.192 1.00 0.00 WT1 O ATOM 17882 H1 TIP3 5937 76.760 41.175 11.757 1.00 0.00 WT1 H ATOM 17883 H2 TIP3 5937 78.066 41.697 11.197 1.00 0.00 WT1 H ATOM 17884 OH2 TIP3 5939 29.690 39.092 21.206 1.00 0.00 WT1 O ATOM 17885 H1 TIP3 5939 29.650 38.591 20.392 1.00 0.00 WT1 H ATOM 17886 H2 TIP3 5939 29.486 39.990 20.946 1.00 0.00 WT1 H ATOM 17887 OH2 TIP3 5941 30.511 51.751 27.487 1.00 0.00 WT1 O ATOM 17888 H1 TIP3 5941 31.369 51.408 27.736 1.00 0.00 WT1 H ATOM 17889 H2 TIP3 5941 30.475 51.643 26.536 1.00 0.00 WT1 H ATOM 17890 OH2 TIP3 5942 89.207 96.630 40.379 1.00 0.00 WT1 O ATOM 17891 H1 TIP3 5942 89.590 96.802 39.518 1.00 0.00 WT1 H ATOM 17892 H2 TIP3 5942 89.815 96.018 40.793 1.00 0.00 WT1 H ATOM 17893 OH2 TIP3 5943 44.080 93.167 29.124 1.00 0.00 WT1 O ATOM 17894 H1 TIP3 5943 44.653 92.532 28.693 1.00 0.00 WT1 H ATOM 17895 H2 TIP3 5943 44.102 92.919 30.049 1.00 0.00 WT1 H ATOM 17896 OH2 TIP3 5944 51.429 21.928 35.449 1.00 0.00 WT1 O ATOM 17897 H1 TIP3 5944 51.155 22.360 34.639 1.00 0.00 WT1 H ATOM 17898 H2 TIP3 5944 50.648 21.461 35.747 1.00 0.00 WT1 H ATOM 17899 OH2 TIP3 5945 83.240 69.742 56.776 1.00 0.00 WT1 O ATOM 17900 H1 TIP3 5945 83.803 69.053 56.423 1.00 0.00 WT1 H ATOM 17901 H2 TIP3 5945 83.153 70.372 56.060 1.00 0.00 WT1 H ATOM 17902 OH2 TIP3 5946 25.743 23.923 -8.610 1.00 0.00 WT1 O ATOM 17903 H1 TIP3 5946 26.184 23.690 -7.793 1.00 0.00 WT1 H ATOM 17904 H2 TIP3 5946 25.464 24.829 -8.483 1.00 0.00 WT1 H ATOM 17905 OH2 TIP3 5947 36.074 29.459 -2.759 1.00 0.00 WT1 O ATOM 17906 H1 TIP3 5947 35.542 29.161 -3.496 1.00 0.00 WT1 H ATOM 17907 H2 TIP3 5947 35.645 29.090 -1.987 1.00 0.00 WT1 H ATOM 17908 OH2 TIP3 5948 38.169 60.022 -17.851 1.00 0.00 WT1 O ATOM 17909 H1 TIP3 5948 37.587 60.689 -18.214 1.00 0.00 WT1 H ATOM 17910 H2 TIP3 5948 38.532 60.423 -17.061 1.00 0.00 WT1 H ATOM 17911 OH2 TIP3 5949 49.467 55.590 4.737 1.00 0.00 WT1 O ATOM 17912 H1 TIP3 5949 49.114 56.267 5.315 1.00 0.00 WT1 H ATOM 17913 H2 TIP3 5949 50.416 55.654 4.844 1.00 0.00 WT1 H ATOM 17914 OH2 TIP3 5950 53.727 25.328 -9.946 1.00 0.00 WT1 O ATOM 17915 H1 TIP3 5950 53.997 24.548 -10.431 1.00 0.00 WT1 H ATOM 17916 H2 TIP3 5950 53.697 25.044 -9.032 1.00 0.00 WT1 H ATOM 17917 OH2 TIP3 5951 24.832 44.249 16.434 1.00 0.00 WT1 O ATOM 17918 H1 TIP3 5951 24.902 43.555 17.090 1.00 0.00 WT1 H ATOM 17919 H2 TIP3 5951 25.710 44.629 16.394 1.00 0.00 WT1 H ATOM 17920 OH2 TIP3 5952 29.546 23.023 66.551 1.00 0.00 WT1 O ATOM 17921 H1 TIP3 5952 30.080 22.973 67.343 1.00 0.00 WT1 H ATOM 17922 H2 TIP3 5952 29.009 22.230 66.573 1.00 0.00 WT1 H ATOM 17923 OH2 TIP3 5953 80.791 60.396 4.365 1.00 0.00 WT1 O ATOM 17924 H1 TIP3 5953 80.615 60.085 5.253 1.00 0.00 WT1 H ATOM 17925 H2 TIP3 5953 80.694 59.618 3.815 1.00 0.00 WT1 H ATOM 17926 OH2 TIP3 5954 72.257 19.735 40.521 1.00 0.00 WT1 O ATOM 17927 H1 TIP3 5954 72.691 19.982 39.705 1.00 0.00 WT1 H ATOM 17928 H2 TIP3 5954 71.747 18.956 40.296 1.00 0.00 WT1 H ATOM 17929 OH2 TIP3 5955 67.524 7.218 -3.449 1.00 0.00 WT1 O ATOM 17930 H1 TIP3 5955 66.829 6.987 -4.066 1.00 0.00 WT1 H ATOM 17931 H2 TIP3 5955 67.139 7.065 -2.586 1.00 0.00 WT1 H ATOM 17932 OH2 TIP3 5956 53.692 48.933 52.933 1.00 0.00 WT1 O ATOM 17933 H1 TIP3 5956 53.231 49.241 53.713 1.00 0.00 WT1 H ATOM 17934 H2 TIP3 5956 53.979 49.733 52.492 1.00 0.00 WT1 H ATOM 17935 OH2 TIP3 5957 79.346 22.907 58.059 1.00 0.00 WT1 O ATOM 17936 H1 TIP3 5957 79.049 23.447 57.326 1.00 0.00 WT1 H ATOM 17937 H2 TIP3 5957 79.655 22.098 57.651 1.00 0.00 WT1 H ATOM 17938 OH2 TIP3 5958 38.797 13.768 40.396 1.00 0.00 WT1 O ATOM 17939 H1 TIP3 5958 39.427 14.425 40.102 1.00 0.00 WT1 H ATOM 17940 H2 TIP3 5958 38.760 13.133 39.680 1.00 0.00 WT1 H ATOM 17941 OH2 TIP3 5959 69.543 49.357 -10.023 1.00 0.00 WT1 O ATOM 17942 H1 TIP3 5959 70.093 49.284 -9.243 1.00 0.00 WT1 H ATOM 17943 H2 TIP3 5959 68.973 50.105 -9.847 1.00 0.00 WT1 H ATOM 17944 OH2 TIP3 5960 23.954 22.101 37.300 1.00 0.00 WT1 O ATOM 17945 H1 TIP3 5960 23.973 22.943 36.844 1.00 0.00 WT1 H ATOM 17946 H2 TIP3 5960 24.658 21.593 36.897 1.00 0.00 WT1 H ATOM 17947 OH2 TIP3 5961 35.680 47.169 24.749 1.00 0.00 WT1 O ATOM 17948 H1 TIP3 5961 35.961 46.383 25.216 1.00 0.00 WT1 H ATOM 17949 H2 TIP3 5961 35.503 47.808 25.440 1.00 0.00 WT1 H ATOM 17950 OH2 TIP3 5963 74.931 23.838 17.929 1.00 0.00 WT1 O ATOM 17951 H1 TIP3 5963 74.486 24.501 17.402 1.00 0.00 WT1 H ATOM 17952 H2 TIP3 5963 74.239 23.458 18.471 1.00 0.00 WT1 H ATOM 17953 OH2 TIP3 5965 88.601 63.855 55.311 1.00 0.00 WT1 O ATOM 17954 H1 TIP3 5965 88.879 63.111 55.844 1.00 0.00 WT1 H ATOM 17955 H2 TIP3 5965 87.648 63.779 55.271 1.00 0.00 WT1 H ATOM 17956 OH2 TIP3 5966 62.919 78.442 22.597 1.00 0.00 WT1 O ATOM 17957 H1 TIP3 5966 63.733 78.711 23.023 1.00 0.00 WT1 H ATOM 17958 H2 TIP3 5966 63.009 78.745 21.694 1.00 0.00 WT1 H ATOM 17959 OH2 TIP3 5968 38.041 81.946 -14.835 1.00 0.00 WT1 O ATOM 17960 H1 TIP3 5968 38.241 82.790 -15.239 1.00 0.00 WT1 H ATOM 17961 H2 TIP3 5968 38.802 81.755 -14.288 1.00 0.00 WT1 H ATOM 17962 OH2 TIP3 5969 30.293 67.613 53.309 1.00 0.00 WT1 O ATOM 17963 H1 TIP3 5969 30.144 66.964 52.621 1.00 0.00 WT1 H ATOM 17964 H2 TIP3 5969 29.458 68.074 53.388 1.00 0.00 WT1 H ATOM 17965 OH2 TIP3 5970 77.926 31.155 20.476 1.00 0.00 WT1 O ATOM 17966 H1 TIP3 5970 77.543 30.450 20.998 1.00 0.00 WT1 H ATOM 17967 H2 TIP3 5970 78.854 30.930 20.413 1.00 0.00 WT1 H ATOM 17968 OH2 TIP3 5971 58.712 11.536 43.518 1.00 0.00 WT1 O ATOM 17969 H1 TIP3 5971 59.191 11.761 44.315 1.00 0.00 WT1 H ATOM 17970 H2 TIP3 5971 58.503 10.607 43.618 1.00 0.00 WT1 H ATOM 17971 OH2 TIP3 5972 41.855 42.839 44.547 1.00 0.00 WT1 O ATOM 17972 H1 TIP3 5972 41.620 42.399 43.730 1.00 0.00 WT1 H ATOM 17973 H2 TIP3 5972 41.872 43.769 44.323 1.00 0.00 WT1 H ATOM 17974 OH2 TIP3 5973 32.615 47.917 -5.894 1.00 0.00 WT1 O ATOM 17975 H1 TIP3 5973 32.593 48.438 -5.091 1.00 0.00 WT1 H ATOM 17976 H2 TIP3 5973 32.049 48.392 -6.503 1.00 0.00 WT1 H ATOM 17977 OH2 TIP3 5974 31.136 44.907 41.614 1.00 0.00 WT1 O ATOM 17978 H1 TIP3 5974 31.453 45.656 42.120 1.00 0.00 WT1 H ATOM 17979 H2 TIP3 5974 30.202 45.076 41.495 1.00 0.00 WT1 H ATOM 17980 OH2 TIP3 5975 36.752 26.509 43.577 1.00 0.00 WT1 O ATOM 17981 H1 TIP3 5975 36.531 26.776 42.685 1.00 0.00 WT1 H ATOM 17982 H2 TIP3 5975 36.999 25.588 43.499 1.00 0.00 WT1 H ATOM 17983 OH2 TIP3 5977 79.954 61.249 6.989 1.00 0.00 WT1 O ATOM 17984 H1 TIP3 5977 79.557 60.867 7.772 1.00 0.00 WT1 H ATOM 17985 H2 TIP3 5977 79.286 61.841 6.645 1.00 0.00 WT1 H ATOM 17986 OH2 TIP3 5978 45.583 53.528 46.319 1.00 0.00 WT1 O ATOM 17987 H1 TIP3 5978 45.973 52.735 45.951 1.00 0.00 WT1 H ATOM 17988 H2 TIP3 5978 46.129 54.240 45.986 1.00 0.00 WT1 H ATOM 17989 OH2 TIP3 5979 54.233 3.365 -14.485 1.00 0.00 WT1 O ATOM 17990 H1 TIP3 5979 53.707 3.386 -13.685 1.00 0.00 WT1 H ATOM 17991 H2 TIP3 5979 54.077 4.214 -14.897 1.00 0.00 WT1 H ATOM 17992 OH2 TIP3 5980 25.071 47.770 -7.443 1.00 0.00 WT1 O ATOM 17993 H1 TIP3 5980 25.474 47.604 -8.294 1.00 0.00 WT1 H ATOM 17994 H2 TIP3 5980 25.052 48.724 -7.368 1.00 0.00 WT1 H ATOM 17995 OH2 TIP3 5981 86.925 49.997 8.363 1.00 0.00 WT1 O ATOM 17996 H1 TIP3 5981 87.293 49.242 8.823 1.00 0.00 WT1 H ATOM 17997 H2 TIP3 5981 87.688 50.485 8.053 1.00 0.00 WT1 H ATOM 17998 OH2 TIP3 5982 60.372 26.201 -2.099 1.00 0.00 WT1 O ATOM 17999 H1 TIP3 5982 59.623 26.080 -2.683 1.00 0.00 WT1 H ATOM 18000 H2 TIP3 5982 60.471 25.357 -1.658 1.00 0.00 WT1 H ATOM 18001 OH2 TIP3 5983 66.288 83.280 33.446 1.00 0.00 WT1 O ATOM 18002 H1 TIP3 5983 66.109 84.217 33.364 1.00 0.00 WT1 H ATOM 18003 H2 TIP3 5983 66.644 83.028 32.594 1.00 0.00 WT1 H ATOM 18004 OH2 TIP3 5986 73.456 79.659 52.757 1.00 0.00 WT1 O ATOM 18005 H1 TIP3 5986 72.717 79.051 52.735 1.00 0.00 WT1 H ATOM 18006 H2 TIP3 5986 73.583 79.915 51.844 1.00 0.00 WT1 H ATOM 18007 OH2 TIP3 5987 37.239 72.425 -11.193 1.00 0.00 WT1 O ATOM 18008 H1 TIP3 5987 37.437 72.002 -10.358 1.00 0.00 WT1 H ATOM 18009 H2 TIP3 5987 38.057 72.851 -11.447 1.00 0.00 WT1 H ATOM 18010 OH2 TIP3 5988 60.005 65.538 54.889 1.00 0.00 WT1 O ATOM 18011 H1 TIP3 5988 60.286 64.631 55.010 1.00 0.00 WT1 H ATOM 18012 H2 TIP3 5988 59.452 65.515 54.108 1.00 0.00 WT1 H ATOM 18013 OH2 TIP3 5989 63.036 37.979 43.443 1.00 0.00 WT1 O ATOM 18014 H1 TIP3 5989 62.866 37.039 43.378 1.00 0.00 WT1 H ATOM 18015 H2 TIP3 5989 62.860 38.192 44.360 1.00 0.00 WT1 H ATOM 18016 OH2 TIP3 5990 47.653 12.381 -15.461 1.00 0.00 WT1 O ATOM 18017 H1 TIP3 5990 47.474 13.269 -15.770 1.00 0.00 WT1 H ATOM 18018 H2 TIP3 5990 47.261 12.347 -14.589 1.00 0.00 WT1 H ATOM 18019 OH2 TIP3 5991 42.839 45.228 16.801 1.00 0.00 WT1 O ATOM 18020 H1 TIP3 5991 43.371 45.941 16.448 1.00 0.00 WT1 H ATOM 18021 H2 TIP3 5991 42.237 45.656 17.409 1.00 0.00 WT1 H ATOM 18022 OH2 TIP3 5992 33.038 46.184 -8.457 1.00 0.00 WT1 O ATOM 18023 H1 TIP3 5992 32.895 46.555 -7.586 1.00 0.00 WT1 H ATOM 18024 H2 TIP3 5992 32.358 45.516 -8.547 1.00 0.00 WT1 H ATOM 18025 OH2 TIP3 5993 87.701 25.661 45.989 1.00 0.00 WT1 O ATOM 18026 H1 TIP3 5993 87.358 24.772 46.080 1.00 0.00 WT1 H ATOM 18027 H2 TIP3 5993 88.500 25.666 46.516 1.00 0.00 WT1 H ATOM 18028 OH2 TIP3 5994 30.774 2.180 35.642 1.00 0.00 WT1 O ATOM 18029 H1 TIP3 5994 30.440 1.722 36.413 1.00 0.00 WT1 H ATOM 18030 H2 TIP3 5994 31.379 1.559 35.238 1.00 0.00 WT1 H ATOM 18031 OH2 TIP3 5995 71.844 73.690 34.864 1.00 0.00 WT1 O ATOM 18032 H1 TIP3 5995 71.474 74.019 34.045 1.00 0.00 WT1 H ATOM 18033 H2 TIP3 5995 71.089 73.583 35.442 1.00 0.00 WT1 H ATOM 18034 OH2 TIP3 5996 78.241 32.616 18.234 1.00 0.00 WT1 O ATOM 18035 H1 TIP3 5996 78.050 32.009 18.949 1.00 0.00 WT1 H ATOM 18036 H2 TIP3 5996 79.195 32.686 18.227 1.00 0.00 WT1 H ATOM 18037 OH2 TIP3 5997 52.326 44.817 -15.934 1.00 0.00 WT1 O ATOM 18038 H1 TIP3 5997 52.236 44.013 -15.423 1.00 0.00 WT1 H ATOM 18039 H2 TIP3 5997 51.506 45.288 -15.786 1.00 0.00 WT1 H ATOM 18040 OH2 TIP3 5998 55.961 32.911 50.686 1.00 0.00 WT1 O ATOM 18041 H1 TIP3 5998 56.647 33.454 50.299 1.00 0.00 WT1 H ATOM 18042 H2 TIP3 5998 55.480 33.506 51.261 1.00 0.00 WT1 H ATOM 18043 OH2 TIP3 5999 64.295 63.473 -17.866 1.00 0.00 WT1 O ATOM 18044 H1 TIP3 5999 63.937 63.165 -18.698 1.00 0.00 WT1 H ATOM 18045 H2 TIP3 5999 64.290 62.700 -17.302 1.00 0.00 WT1 H ATOM 18046 OH2 TIP3 6001 61.824 46.429 -12.666 1.00 0.00 WT1 O ATOM 18047 H1 TIP3 6001 61.300 45.752 -12.237 1.00 0.00 WT1 H ATOM 18048 H2 TIP3 6001 62.692 46.345 -12.272 1.00 0.00 WT1 H ATOM 18049 OH2 TIP3 6004 72.675 14.530 60.141 1.00 0.00 WT1 O ATOM 18050 H1 TIP3 6004 73.021 15.337 59.761 1.00 0.00 WT1 H ATOM 18051 H2 TIP3 6004 71.729 14.670 60.181 1.00 0.00 WT1 H ATOM 18052 OH2 TIP3 6006 72.980 64.603 66.946 1.00 0.00 WT1 O ATOM 18053 H1 TIP3 6006 72.134 64.401 66.547 1.00 0.00 WT1 H ATOM 18054 H2 TIP3 6006 73.624 64.213 66.354 1.00 0.00 WT1 H ATOM 18055 OH2 TIP3 6007 72.538 39.085 8.537 1.00 0.00 WT1 O ATOM 18056 H1 TIP3 6007 71.622 38.946 8.295 1.00 0.00 WT1 H ATOM 18057 H2 TIP3 6007 72.598 40.023 8.719 1.00 0.00 WT1 H ATOM 18058 OH2 TIP3 6009 62.613 59.082 -3.320 1.00 0.00 WT1 O ATOM 18059 H1 TIP3 6009 61.768 59.311 -2.933 1.00 0.00 WT1 H ATOM 18060 H2 TIP3 6009 62.992 58.449 -2.712 1.00 0.00 WT1 H ATOM 18061 OH2 TIP3 6011 75.394 12.902 -8.679 1.00 0.00 WT1 O ATOM 18062 H1 TIP3 6011 75.847 13.060 -9.507 1.00 0.00 WT1 H ATOM 18063 H2 TIP3 6011 74.500 13.208 -8.832 1.00 0.00 WT1 H ATOM 18064 OH2 TIP3 6013 66.770 74.675 44.929 1.00 0.00 WT1 O ATOM 18065 H1 TIP3 6013 66.225 74.651 44.143 1.00 0.00 WT1 H ATOM 18066 H2 TIP3 6013 67.616 75.003 44.624 1.00 0.00 WT1 H ATOM 18067 OH2 TIP3 6014 50.304 44.944 5.218 1.00 0.00 WT1 O ATOM 18068 H1 TIP3 6014 50.558 44.027 5.121 1.00 0.00 WT1 H ATOM 18069 H2 TIP3 6014 51.091 45.378 5.547 1.00 0.00 WT1 H ATOM 18070 OH2 TIP3 6015 57.899 56.729 1.230 1.00 0.00 WT1 O ATOM 18071 H1 TIP3 6015 57.150 57.313 1.113 1.00 0.00 WT1 H ATOM 18072 H2 TIP3 6015 57.615 56.106 1.899 1.00 0.00 WT1 H ATOM 18073 OH2 TIP3 6016 23.828 33.450 60.083 1.00 0.00 WT1 O ATOM 18074 H1 TIP3 6016 23.597 33.624 60.996 1.00 0.00 WT1 H ATOM 18075 H2 TIP3 6016 24.052 32.519 60.066 1.00 0.00 WT1 H ATOM 18076 OH2 TIP3 6018 30.160 82.215 39.703 1.00 0.00 WT1 O ATOM 18077 H1 TIP3 6018 29.831 82.039 40.585 1.00 0.00 WT1 H ATOM 18078 H2 TIP3 6018 29.758 81.539 39.158 1.00 0.00 WT1 H ATOM 18079 OH2 TIP3 6019 68.498 27.847 62.023 1.00 0.00 WT1 O ATOM 18080 H1 TIP3 6019 69.395 28.082 62.263 1.00 0.00 WT1 H ATOM 18081 H2 TIP3 6019 68.585 27.018 61.552 1.00 0.00 WT1 H ATOM 18082 OH2 TIP3 6020 42.788 10.501 14.056 1.00 0.00 WT1 O ATOM 18083 H1 TIP3 6020 42.967 10.929 14.893 1.00 0.00 WT1 H ATOM 18084 H2 TIP3 6020 41.833 10.455 14.009 1.00 0.00 WT1 H ATOM 18085 OH2 TIP3 6021 48.922 40.652 7.798 1.00 0.00 WT1 O ATOM 18086 H1 TIP3 6021 49.539 41.317 7.494 1.00 0.00 WT1 H ATOM 18087 H2 TIP3 6021 48.998 40.672 8.752 1.00 0.00 WT1 H ATOM 18088 OH2 TIP3 6024 79.969 79.801 -8.591 1.00 0.00 WT1 O ATOM 18089 H1 TIP3 6024 80.509 80.506 -8.947 1.00 0.00 WT1 H ATOM 18090 H2 TIP3 6024 79.088 79.985 -8.918 1.00 0.00 WT1 H ATOM 18091 OH2 TIP3 6026 35.693 46.296 14.680 1.00 0.00 WT1 O ATOM 18092 H1 TIP3 6026 35.813 45.353 14.787 1.00 0.00 WT1 H ATOM 18093 H2 TIP3 6026 36.286 46.688 15.321 1.00 0.00 WT1 H ATOM 18094 OH2 TIP3 6027 58.816 35.065 8.865 1.00 0.00 WT1 O ATOM 18095 H1 TIP3 6027 58.432 35.652 9.516 1.00 0.00 WT1 H ATOM 18096 H2 TIP3 6027 59.684 35.430 8.695 1.00 0.00 WT1 H ATOM 18097 OH2 TIP3 6030 32.681 23.464 55.581 1.00 0.00 WT1 O ATOM 18098 H1 TIP3 6030 32.806 24.168 54.945 1.00 0.00 WT1 H ATOM 18099 H2 TIP3 6030 32.694 22.662 55.058 1.00 0.00 WT1 H ATOM 18100 OH2 TIP3 6031 40.221 67.993 -19.284 1.00 0.00 WT1 O ATOM 18101 H1 TIP3 6031 40.607 67.535 -20.030 1.00 0.00 WT1 H ATOM 18102 H2 TIP3 6031 40.516 68.899 -19.379 1.00 0.00 WT1 H ATOM 18103 OH2 TIP3 6032 53.248 30.779 -12.820 1.00 0.00 WT1 O ATOM 18104 H1 TIP3 6032 53.997 31.374 -12.850 1.00 0.00 WT1 H ATOM 18105 H2 TIP3 6032 53.055 30.682 -11.887 1.00 0.00 WT1 H ATOM 18106 OH2 TIP3 6034 53.227 87.333 40.928 1.00 0.00 WT1 O ATOM 18107 H1 TIP3 6034 53.550 86.749 41.615 1.00 0.00 WT1 H ATOM 18108 H2 TIP3 6034 54.014 87.604 40.455 1.00 0.00 WT1 H ATOM 18109 OH2 TIP3 6035 76.871 59.144 7.193 1.00 0.00 WT1 O ATOM 18110 H1 TIP3 6035 77.805 59.107 7.403 1.00 0.00 WT1 H ATOM 18111 H2 TIP3 6035 76.440 59.263 8.039 1.00 0.00 WT1 H ATOM 18112 OH2 TIP3 6036 78.030 34.091 2.371 1.00 0.00 WT1 O ATOM 18113 H1 TIP3 6036 77.421 34.054 1.634 1.00 0.00 WT1 H ATOM 18114 H2 TIP3 6036 77.869 33.282 2.858 1.00 0.00 WT1 H ATOM 18115 OH2 TIP3 6037 68.091 41.832 8.514 1.00 0.00 WT1 O ATOM 18116 H1 TIP3 6037 67.156 41.640 8.443 1.00 0.00 WT1 H ATOM 18117 H2 TIP3 6037 68.316 41.599 9.415 1.00 0.00 WT1 H ATOM 18118 OH2 TIP3 6039 57.409 33.920 6.875 1.00 0.00 WT1 O ATOM 18119 H1 TIP3 6039 57.966 34.258 7.576 1.00 0.00 WT1 H ATOM 18120 H2 TIP3 6039 56.516 34.057 7.191 1.00 0.00 WT1 H ATOM 18121 OH2 TIP3 6042 58.958 4.646 16.991 1.00 0.00 WT1 O ATOM 18122 H1 TIP3 6042 59.814 4.640 16.562 1.00 0.00 WT1 H ATOM 18123 H2 TIP3 6042 58.506 3.880 16.636 1.00 0.00 WT1 H ATOM 18124 OH2 TIP3 6044 84.120 40.224 -0.593 1.00 0.00 WT1 O ATOM 18125 H1 TIP3 6044 84.243 41.123 -0.290 1.00 0.00 WT1 H ATOM 18126 H2 TIP3 6044 83.468 40.292 -1.290 1.00 0.00 WT1 H ATOM 18127 OH2 TIP3 6046 90.135 75.490 24.318 1.00 0.00 WT1 O ATOM 18128 H1 TIP3 6046 89.283 75.153 24.041 1.00 0.00 WT1 H ATOM 18129 H2 TIP3 6046 90.771 74.911 23.896 1.00 0.00 WT1 H ATOM 18130 OH2 TIP3 6048 44.357 29.091 -12.692 1.00 0.00 WT1 O ATOM 18131 H1 TIP3 6048 44.596 29.478 -11.850 1.00 0.00 WT1 H ATOM 18132 H2 TIP3 6048 44.791 28.238 -12.697 1.00 0.00 WT1 H ATOM 18133 OH2 TIP3 6049 52.412 23.902 41.775 1.00 0.00 WT1 O ATOM 18134 H1 TIP3 6049 52.574 24.398 40.973 1.00 0.00 WT1 H ATOM 18135 H2 TIP3 6049 51.846 23.181 41.501 1.00 0.00 WT1 H ATOM 18136 OH2 TIP3 6050 57.702 5.788 23.472 1.00 0.00 WT1 O ATOM 18137 H1 TIP3 6050 58.658 5.767 23.503 1.00 0.00 WT1 H ATOM 18138 H2 TIP3 6050 57.498 6.345 22.721 1.00 0.00 WT1 H ATOM 18139 OH2 TIP3 6051 21.477 37.175 -11.729 1.00 0.00 WT1 O ATOM 18140 H1 TIP3 6051 22.219 36.819 -12.219 1.00 0.00 WT1 H ATOM 18141 H2 TIP3 6051 21.773 38.038 -11.439 1.00 0.00 WT1 H ATOM 18142 OH2 TIP3 6052 37.680 91.528 -1.123 1.00 0.00 WT1 O ATOM 18143 H1 TIP3 6052 36.728 91.628 -1.097 1.00 0.00 WT1 H ATOM 18144 H2 TIP3 6052 37.989 92.290 -1.612 1.00 0.00 WT1 H ATOM 18145 OH2 TIP3 6053 65.030 36.538 -1.117 1.00 0.00 WT1 O ATOM 18146 H1 TIP3 6053 65.049 37.291 -0.526 1.00 0.00 WT1 H ATOM 18147 H2 TIP3 6053 64.112 36.269 -1.134 1.00 0.00 WT1 H ATOM 18148 OH2 TIP3 6054 62.015 47.338 -2.634 1.00 0.00 WT1 O ATOM 18149 H1 TIP3 6054 62.066 47.233 -1.684 1.00 0.00 WT1 H ATOM 18150 H2 TIP3 6054 61.133 47.044 -2.861 1.00 0.00 WT1 H ATOM 18151 OH2 TIP3 6058 68.766 6.107 33.797 1.00 0.00 WT1 O ATOM 18152 H1 TIP3 6058 68.206 5.689 33.143 1.00 0.00 WT1 H ATOM 18153 H2 TIP3 6058 68.495 7.025 33.795 1.00 0.00 WT1 H ATOM 18154 OH2 TIP3 6059 88.636 56.965 31.031 1.00 0.00 WT1 O ATOM 18155 H1 TIP3 6059 87.696 57.095 30.907 1.00 0.00 WT1 H ATOM 18156 H2 TIP3 6059 89.043 57.476 30.332 1.00 0.00 WT1 H ATOM 18157 OH2 TIP3 6061 42.385 37.852 34.839 1.00 0.00 WT1 O ATOM 18158 H1 TIP3 6061 41.484 37.611 34.623 1.00 0.00 WT1 H ATOM 18159 H2 TIP3 6061 42.885 37.643 34.050 1.00 0.00 WT1 H ATOM 18160 OH2 TIP3 6068 62.319 63.214 -10.567 1.00 0.00 WT1 O ATOM 18161 H1 TIP3 6068 61.967 64.082 -10.372 1.00 0.00 WT1 H ATOM 18162 H2 TIP3 6068 61.613 62.611 -10.333 1.00 0.00 WT1 H ATOM 18163 OH2 TIP3 6069 65.263 80.478 44.212 1.00 0.00 WT1 O ATOM 18164 H1 TIP3 6069 65.712 79.801 44.719 1.00 0.00 WT1 H ATOM 18165 H2 TIP3 6069 64.332 80.296 44.341 1.00 0.00 WT1 H ATOM 18166 OH2 TIP3 6070 77.088 74.548 59.953 1.00 0.00 WT1 O ATOM 18167 H1 TIP3 6070 77.317 73.627 59.826 1.00 0.00 WT1 H ATOM 18168 H2 TIP3 6070 77.514 75.003 59.227 1.00 0.00 WT1 H ATOM 18169 OH2 TIP3 6071 32.217 4.003 -7.048 1.00 0.00 WT1 O ATOM 18170 H1 TIP3 6071 31.902 4.901 -6.945 1.00 0.00 WT1 H ATOM 18171 H2 TIP3 6071 31.495 3.542 -7.476 1.00 0.00 WT1 H ATOM 18172 OH2 TIP3 6072 63.867 77.979 35.632 1.00 0.00 WT1 O ATOM 18173 H1 TIP3 6072 63.029 77.515 35.619 1.00 0.00 WT1 H ATOM 18174 H2 TIP3 6072 64.513 77.301 35.830 1.00 0.00 WT1 H ATOM 18175 OH2 TIP3 6073 61.139 74.547 6.633 1.00 0.00 WT1 O ATOM 18176 H1 TIP3 6073 61.369 75.236 7.257 1.00 0.00 WT1 H ATOM 18177 H2 TIP3 6073 60.631 73.919 7.146 1.00 0.00 WT1 H ATOM 18178 OH2 TIP3 6074 52.839 26.050 -19.432 1.00 0.00 WT1 O ATOM 18179 H1 TIP3 6074 53.142 26.956 -19.378 1.00 0.00 WT1 H ATOM 18180 H2 TIP3 6074 52.991 25.694 -18.557 1.00 0.00 WT1 H ATOM 18181 OH2 TIP3 6075 43.608 68.403 55.114 1.00 0.00 WT1 O ATOM 18182 H1 TIP3 6075 43.718 68.340 54.165 1.00 0.00 WT1 H ATOM 18183 H2 TIP3 6075 44.342 67.904 55.473 1.00 0.00 WT1 H ATOM 18184 OH2 TIP3 6077 60.182 59.265 -15.956 1.00 0.00 WT1 O ATOM 18185 H1 TIP3 6077 59.735 58.725 -15.303 1.00 0.00 WT1 H ATOM 18186 H2 TIP3 6077 59.540 59.935 -16.192 1.00 0.00 WT1 H ATOM 18187 OH2 TIP3 6079 46.541 15.044 -14.226 1.00 0.00 WT1 O ATOM 18188 H1 TIP3 6079 46.766 15.695 -13.562 1.00 0.00 WT1 H ATOM 18189 H2 TIP3 6079 46.324 14.257 -13.726 1.00 0.00 WT1 H ATOM 18190 OH2 TIP3 6083 56.682 8.801 22.554 1.00 0.00 WT1 O ATOM 18191 H1 TIP3 6083 57.437 9.277 22.208 1.00 0.00 WT1 H ATOM 18192 H2 TIP3 6083 56.827 8.775 23.499 1.00 0.00 WT1 H ATOM 18193 OH2 TIP3 6084 60.062 47.227 13.471 1.00 0.00 WT1 O ATOM 18194 H1 TIP3 6084 59.570 46.433 13.681 1.00 0.00 WT1 H ATOM 18195 H2 TIP3 6084 60.155 47.681 14.309 1.00 0.00 WT1 H ATOM 18196 OH2 TIP3 6087 49.476 72.199 57.273 1.00 0.00 WT1 O ATOM 18197 H1 TIP3 6087 49.024 71.898 58.061 1.00 0.00 WT1 H ATOM 18198 H2 TIP3 6087 48.889 72.855 56.896 1.00 0.00 WT1 H ATOM 18199 OH2 TIP3 6088 41.431 16.200 54.336 1.00 0.00 WT1 O ATOM 18200 H1 TIP3 6088 41.109 16.484 55.192 1.00 0.00 WT1 H ATOM 18201 H2 TIP3 6088 41.947 16.940 54.016 1.00 0.00 WT1 H ATOM 18202 OH2 TIP3 6089 80.714 26.125 60.106 1.00 0.00 WT1 O ATOM 18203 H1 TIP3 6089 80.501 26.788 59.449 1.00 0.00 WT1 H ATOM 18204 H2 TIP3 6089 80.516 26.545 60.943 1.00 0.00 WT1 H ATOM 18205 OH2 TIP3 6090 21.262 25.015 -0.361 1.00 0.00 WT1 O ATOM 18206 H1 TIP3 6090 20.862 25.707 -0.888 1.00 0.00 WT1 H ATOM 18207 H2 TIP3 6090 21.208 25.337 0.539 1.00 0.00 WT1 H ATOM 18208 OH2 TIP3 6091 34.051 45.092 59.195 1.00 0.00 WT1 O ATOM 18209 H1 TIP3 6091 34.521 45.903 59.000 1.00 0.00 WT1 H ATOM 18210 H2 TIP3 6091 33.585 44.885 58.385 1.00 0.00 WT1 H ATOM 18211 OH2 TIP3 6092 67.045 76.461 5.443 1.00 0.00 WT1 O ATOM 18212 H1 TIP3 6092 66.669 77.336 5.354 1.00 0.00 WT1 H ATOM 18213 H2 TIP3 6092 67.120 76.326 6.388 1.00 0.00 WT1 H ATOM 18214 OH2 TIP3 6093 34.760 68.893 59.829 1.00 0.00 WT1 O ATOM 18215 H1 TIP3 6093 34.017 68.736 59.246 1.00 0.00 WT1 H ATOM 18216 H2 TIP3 6093 34.365 69.195 60.646 1.00 0.00 WT1 H ATOM 18217 OH2 TIP3 6095 51.267 19.871 20.663 1.00 0.00 WT1 O ATOM 18218 H1 TIP3 6095 51.303 19.753 21.612 1.00 0.00 WT1 H ATOM 18219 H2 TIP3 6095 51.786 20.658 20.500 1.00 0.00 WT1 H ATOM 18220 OH2 TIP3 6096 45.697 7.825 58.985 1.00 0.00 WT1 O ATOM 18221 H1 TIP3 6096 45.081 7.184 59.341 1.00 0.00 WT1 H ATOM 18222 H2 TIP3 6096 46.556 7.416 59.087 1.00 0.00 WT1 H ATOM 18223 OH2 TIP3 6097 71.194 29.501 20.942 1.00 0.00 WT1 O ATOM 18224 H1 TIP3 6097 71.518 29.584 20.045 1.00 0.00 WT1 H ATOM 18225 H2 TIP3 6097 71.932 29.137 21.431 1.00 0.00 WT1 H ATOM 18226 OH2 TIP3 6098 36.856 55.569 61.685 1.00 0.00 WT1 O ATOM 18227 H1 TIP3 6098 36.078 55.836 61.197 1.00 0.00 WT1 H ATOM 18228 H2 TIP3 6098 36.693 54.654 61.915 1.00 0.00 WT1 H ATOM 18229 OH2 TIP3 6099 60.922 71.425 47.363 1.00 0.00 WT1 O ATOM 18230 H1 TIP3 6099 61.299 70.976 46.606 1.00 0.00 WT1 H ATOM 18231 H2 TIP3 6099 61.211 70.910 48.116 1.00 0.00 WT1 H ATOM 18232 OH2 TIP3 6101 84.680 40.165 3.427 1.00 0.00 WT1 O ATOM 18233 H1 TIP3 6101 85.100 39.312 3.539 1.00 0.00 WT1 H ATOM 18234 H2 TIP3 6101 84.067 40.037 2.703 1.00 0.00 WT1 H ATOM 18235 OH2 TIP3 6102 79.832 27.280 62.477 1.00 0.00 WT1 O ATOM 18236 H1 TIP3 6102 79.201 27.856 62.908 1.00 0.00 WT1 H ATOM 18237 H2 TIP3 6102 80.652 27.428 62.948 1.00 0.00 WT1 H ATOM 18238 OH2 TIP3 6105 73.884 74.975 18.836 1.00 0.00 WT1 O ATOM 18239 H1 TIP3 6105 73.464 75.630 19.394 1.00 0.00 WT1 H ATOM 18240 H2 TIP3 6105 73.168 74.403 18.557 1.00 0.00 WT1 H ATOM 18241 OH2 TIP3 6106 86.739 18.392 53.397 1.00 0.00 WT1 O ATOM 18242 H1 TIP3 6106 86.618 19.283 53.726 1.00 0.00 WT1 H ATOM 18243 H2 TIP3 6106 87.642 18.373 53.081 1.00 0.00 WT1 H ATOM 18244 OH2 TIP3 6108 85.288 20.647 43.380 1.00 0.00 WT1 O ATOM 18245 H1 TIP3 6108 84.727 21.383 43.136 1.00 0.00 WT1 H ATOM 18246 H2 TIP3 6108 86.177 20.952 43.199 1.00 0.00 WT1 H ATOM 18247 OH2 TIP3 6110 83.039 25.381 66.291 1.00 0.00 WT1 O ATOM 18248 H1 TIP3 6110 83.851 25.887 66.317 1.00 0.00 WT1 H ATOM 18249 H2 TIP3 6110 82.361 26.026 66.090 1.00 0.00 WT1 H ATOM 18250 OH2 TIP3 6111 71.917 55.919 46.684 1.00 0.00 WT1 O ATOM 18251 H1 TIP3 6111 71.155 55.847 47.259 1.00 0.00 WT1 H ATOM 18252 H2 TIP3 6111 71.736 56.685 46.141 1.00 0.00 WT1 H ATOM 18253 OH2 TIP3 6112 21.030 84.391 -7.150 1.00 0.00 WT1 O ATOM 18254 H1 TIP3 6112 21.488 84.105 -7.941 1.00 0.00 WT1 H ATOM 18255 H2 TIP3 6112 21.595 85.067 -6.777 1.00 0.00 WT1 H ATOM 18256 OH2 TIP3 6113 41.768 57.640 17.481 1.00 0.00 WT1 O ATOM 18257 H1 TIP3 6113 41.030 58.208 17.706 1.00 0.00 WT1 H ATOM 18258 H2 TIP3 6113 42.407 58.226 17.076 1.00 0.00 WT1 H ATOM 18259 OH2 TIP3 6116 68.384 34.755 -15.975 1.00 0.00 WT1 O ATOM 18260 H1 TIP3 6116 67.654 34.147 -16.092 1.00 0.00 WT1 H ATOM 18261 H2 TIP3 6116 68.897 34.379 -15.260 1.00 0.00 WT1 H ATOM 18262 OH2 TIP3 6117 54.163 59.783 -11.634 1.00 0.00 WT1 O ATOM 18263 H1 TIP3 6117 54.984 59.506 -12.042 1.00 0.00 WT1 H ATOM 18264 H2 TIP3 6117 54.426 60.152 -10.791 1.00 0.00 WT1 H ATOM 18265 OH2 TIP3 6120 83.878 78.461 43.956 1.00 0.00 WT1 O ATOM 18266 H1 TIP3 6120 83.342 77.739 43.626 1.00 0.00 WT1 H ATOM 18267 H2 TIP3 6120 83.515 79.240 43.534 1.00 0.00 WT1 H ATOM 18268 OH2 TIP3 6122 63.001 61.546 39.420 1.00 0.00 WT1 O ATOM 18269 H1 TIP3 6122 62.274 61.936 39.905 1.00 0.00 WT1 H ATOM 18270 H2 TIP3 6122 62.855 60.602 39.487 1.00 0.00 WT1 H ATOM 18271 OH2 TIP3 6125 36.376 6.933 43.159 1.00 0.00 WT1 O ATOM 18272 H1 TIP3 6125 36.386 5.976 43.142 1.00 0.00 WT1 H ATOM 18273 H2 TIP3 6125 36.145 7.186 42.266 1.00 0.00 WT1 H ATOM 18274 OH2 TIP3 6126 47.437 89.118 15.122 1.00 0.00 WT1 O ATOM 18275 H1 TIP3 6126 47.152 88.209 15.029 1.00 0.00 WT1 H ATOM 18276 H2 TIP3 6126 48.197 89.073 15.703 1.00 0.00 WT1 H ATOM 18277 OH2 TIP3 6127 21.849 41.174 24.196 1.00 0.00 WT1 O ATOM 18278 H1 TIP3 6127 22.028 42.026 23.798 1.00 0.00 WT1 H ATOM 18279 H2 TIP3 6127 20.896 41.143 24.278 1.00 0.00 WT1 H ATOM 18280 OH2 TIP3 6130 44.096 52.685 27.244 1.00 0.00 WT1 O ATOM 18281 H1 TIP3 6130 43.819 51.896 26.778 1.00 0.00 WT1 H ATOM 18282 H2 TIP3 6130 44.847 53.007 26.744 1.00 0.00 WT1 H ATOM 18283 OH2 TIP3 6131 30.866 12.483 46.821 1.00 0.00 WT1 O ATOM 18284 H1 TIP3 6131 31.809 12.546 46.974 1.00 0.00 WT1 H ATOM 18285 H2 TIP3 6131 30.556 13.388 46.859 1.00 0.00 WT1 H ATOM 18286 OH2 TIP3 6132 39.222 52.211 35.673 1.00 0.00 WT1 O ATOM 18287 H1 TIP3 6132 40.044 52.686 35.548 1.00 0.00 WT1 H ATOM 18288 H2 TIP3 6132 38.559 52.765 35.260 1.00 0.00 WT1 H ATOM 18289 OH2 TIP3 6133 41.743 29.509 -7.370 1.00 0.00 WT1 O ATOM 18290 H1 TIP3 6133 40.798 29.376 -7.297 1.00 0.00 WT1 H ATOM 18291 H2 TIP3 6133 41.944 30.170 -6.707 1.00 0.00 WT1 H ATOM 18292 OH2 TIP3 6134 50.707 64.039 -12.973 1.00 0.00 WT1 O ATOM 18293 H1 TIP3 6134 50.793 64.399 -13.855 1.00 0.00 WT1 H ATOM 18294 H2 TIP3 6134 50.034 64.579 -12.558 1.00 0.00 WT1 H ATOM 18295 OH2 TIP3 6135 83.389 32.159 3.480 1.00 0.00 WT1 O ATOM 18296 H1 TIP3 6135 82.896 32.655 4.133 1.00 0.00 WT1 H ATOM 18297 H2 TIP3 6135 84.225 32.619 3.409 1.00 0.00 WT1 H ATOM 18298 OH2 TIP3 6136 55.659 12.570 21.375 1.00 0.00 WT1 O ATOM 18299 H1 TIP3 6136 55.690 11.622 21.502 1.00 0.00 WT1 H ATOM 18300 H2 TIP3 6136 54.903 12.710 20.805 1.00 0.00 WT1 H ATOM 18301 OH2 TIP3 6137 66.882 93.268 8.295 1.00 0.00 WT1 O ATOM 18302 H1 TIP3 6137 66.561 93.207 9.195 1.00 0.00 WT1 H ATOM 18303 H2 TIP3 6137 66.866 92.366 7.974 1.00 0.00 WT1 H ATOM 18304 OH2 TIP3 6138 43.520 22.270 -16.196 1.00 0.00 WT1 O ATOM 18305 H1 TIP3 6138 42.973 21.972 -15.470 1.00 0.00 WT1 H ATOM 18306 H2 TIP3 6138 43.072 21.950 -16.980 1.00 0.00 WT1 H ATOM 18307 OH2 TIP3 6139 21.647 89.866 -11.529 1.00 0.00 WT1 O ATOM 18308 H1 TIP3 6139 21.215 90.507 -10.965 1.00 0.00 WT1 H ATOM 18309 H2 TIP3 6139 21.050 89.118 -11.545 1.00 0.00 WT1 H ATOM 18310 OH2 TIP3 6141 68.507 57.426 -8.592 1.00 0.00 WT1 O ATOM 18311 H1 TIP3 6141 67.916 58.160 -8.421 1.00 0.00 WT1 H ATOM 18312 H2 TIP3 6141 69.208 57.527 -7.949 1.00 0.00 WT1 H ATOM 18313 OH2 TIP3 6144 72.525 5.790 -16.745 1.00 0.00 WT1 O ATOM 18314 H1 TIP3 6144 71.702 6.048 -17.161 1.00 0.00 WT1 H ATOM 18315 H2 TIP3 6144 72.723 6.505 -16.141 1.00 0.00 WT1 H ATOM 18316 OH2 TIP3 6146 41.203 79.586 62.461 1.00 0.00 WT1 O ATOM 18317 H1 TIP3 6146 41.690 80.080 63.121 1.00 0.00 WT1 H ATOM 18318 H2 TIP3 6146 40.863 78.825 62.933 1.00 0.00 WT1 H ATOM 18319 OH2 TIP3 6147 77.392 41.221 7.992 1.00 0.00 WT1 O ATOM 18320 H1 TIP3 6147 77.600 41.018 8.904 1.00 0.00 WT1 H ATOM 18321 H2 TIP3 6147 77.613 42.147 7.895 1.00 0.00 WT1 H ATOM 18322 OH2 TIP3 6148 84.341 43.432 66.547 1.00 0.00 WT1 O ATOM 18323 H1 TIP3 6148 84.368 44.297 66.955 1.00 0.00 WT1 H ATOM 18324 H2 TIP3 6148 83.693 43.517 65.847 1.00 0.00 WT1 H ATOM 18325 OH2 TIP3 6150 43.797 49.233 34.601 1.00 0.00 WT1 O ATOM 18326 H1 TIP3 6150 43.832 50.112 34.223 1.00 0.00 WT1 H ATOM 18327 H2 TIP3 6150 44.602 48.811 34.302 1.00 0.00 WT1 H ATOM 18328 OH2 TIP3 6151 88.100 43.657 20.860 1.00 0.00 WT1 O ATOM 18329 H1 TIP3 6151 87.991 44.595 20.708 1.00 0.00 WT1 H ATOM 18330 H2 TIP3 6151 89.041 43.506 20.762 1.00 0.00 WT1 H ATOM 18331 OH2 TIP3 6152 53.752 82.204 39.521 1.00 0.00 WT1 O ATOM 18332 H1 TIP3 6152 52.948 81.932 39.078 1.00 0.00 WT1 H ATOM 18333 H2 TIP3 6152 54.025 82.996 39.057 1.00 0.00 WT1 H ATOM 18334 OH2 TIP3 6153 36.685 63.257 3.267 1.00 0.00 WT1 O ATOM 18335 H1 TIP3 6153 37.167 62.435 3.356 1.00 0.00 WT1 H ATOM 18336 H2 TIP3 6153 36.412 63.473 4.159 1.00 0.00 WT1 H ATOM 18337 OH2 TIP3 6154 65.166 63.902 21.382 1.00 0.00 WT1 O ATOM 18338 H1 TIP3 6154 64.953 63.692 22.291 1.00 0.00 WT1 H ATOM 18339 H2 TIP3 6154 65.355 63.055 20.978 1.00 0.00 WT1 H ATOM 18340 OH2 TIP3 6155 89.396 44.469 39.538 1.00 0.00 WT1 O ATOM 18341 H1 TIP3 6155 89.122 44.813 38.687 1.00 0.00 WT1 H ATOM 18342 H2 TIP3 6155 89.843 43.648 39.333 1.00 0.00 WT1 H ATOM 18343 OH2 TIP3 6156 66.806 73.425 41.567 1.00 0.00 WT1 O ATOM 18344 H1 TIP3 6156 66.901 73.640 40.640 1.00 0.00 WT1 H ATOM 18345 H2 TIP3 6156 67.231 72.572 41.661 1.00 0.00 WT1 H ATOM 18346 OH2 TIP3 6157 23.670 31.197 39.717 1.00 0.00 WT1 O ATOM 18347 H1 TIP3 6157 24.243 31.425 38.985 1.00 0.00 WT1 H ATOM 18348 H2 TIP3 6157 23.579 30.246 39.663 1.00 0.00 WT1 H ATOM 18349 OH2 TIP3 6158 76.020 85.410 63.255 1.00 0.00 WT1 O ATOM 18350 H1 TIP3 6158 76.779 85.869 63.614 1.00 0.00 WT1 H ATOM 18351 H2 TIP3 6158 76.313 85.096 62.399 1.00 0.00 WT1 H ATOM 18352 OH2 TIP3 6159 24.439 77.320 52.531 1.00 0.00 WT1 O ATOM 18353 H1 TIP3 6159 24.636 78.004 53.171 1.00 0.00 WT1 H ATOM 18354 H2 TIP3 6159 23.983 76.645 53.034 1.00 0.00 WT1 H ATOM 18355 OH2 TIP3 6160 82.719 34.583 0.284 1.00 0.00 WT1 O ATOM 18356 H1 TIP3 6160 82.725 35.036 1.127 1.00 0.00 WT1 H ATOM 18357 H2 TIP3 6160 83.442 34.976 -0.205 1.00 0.00 WT1 H ATOM 18358 OH2 TIP3 6162 66.113 18.900 -3.305 1.00 0.00 WT1 O ATOM 18359 H1 TIP3 6162 66.656 19.660 -3.514 1.00 0.00 WT1 H ATOM 18360 H2 TIP3 6162 66.578 18.159 -3.693 1.00 0.00 WT1 H ATOM 18361 OH2 TIP3 6163 55.448 15.902 49.419 1.00 0.00 WT1 O ATOM 18362 H1 TIP3 6163 55.279 16.837 49.303 1.00 0.00 WT1 H ATOM 18363 H2 TIP3 6163 55.118 15.497 48.618 1.00 0.00 WT1 H ATOM 18364 OH2 TIP3 6164 60.958 74.967 28.314 1.00 0.00 WT1 O ATOM 18365 H1 TIP3 6164 60.283 74.410 28.701 1.00 0.00 WT1 H ATOM 18366 H2 TIP3 6164 60.734 75.004 27.384 1.00 0.00 WT1 H ATOM 18367 OH2 TIP3 6166 46.017 54.514 60.152 1.00 0.00 WT1 O ATOM 18368 H1 TIP3 6166 46.946 54.731 60.237 1.00 0.00 WT1 H ATOM 18369 H2 TIP3 6166 45.637 54.752 60.997 1.00 0.00 WT1 H ATOM 18370 OH2 TIP3 6167 74.073 50.975 21.860 1.00 0.00 WT1 O ATOM 18371 H1 TIP3 6167 73.331 50.499 21.486 1.00 0.00 WT1 H ATOM 18372 H2 TIP3 6167 74.303 51.623 21.194 1.00 0.00 WT1 H ATOM 18373 OH2 TIP3 6171 27.975 46.273 27.006 1.00 0.00 WT1 O ATOM 18374 H1 TIP3 6171 27.299 45.984 27.619 1.00 0.00 WT1 H ATOM 18375 H2 TIP3 6171 27.582 46.152 26.141 1.00 0.00 WT1 H ATOM 18376 OH2 TIP3 6172 30.382 52.851 54.026 1.00 0.00 WT1 O ATOM 18377 H1 TIP3 6172 30.888 52.383 53.362 1.00 0.00 WT1 H ATOM 18378 H2 TIP3 6172 30.019 52.161 54.581 1.00 0.00 WT1 H ATOM 18379 OH2 TIP3 6175 36.990 28.635 11.047 1.00 0.00 WT1 O ATOM 18380 H1 TIP3 6175 36.969 29.301 11.735 1.00 0.00 WT1 H ATOM 18381 H2 TIP3 6175 36.365 27.971 11.337 1.00 0.00 WT1 H ATOM 18382 OH2 TIP3 6176 54.180 16.735 0.671 1.00 0.00 WT1 O ATOM 18383 H1 TIP3 6176 54.022 17.166 -0.169 1.00 0.00 WT1 H ATOM 18384 H2 TIP3 6176 54.346 17.453 1.282 1.00 0.00 WT1 H ATOM 18385 OH2 TIP3 6177 38.179 9.451 40.293 1.00 0.00 WT1 O ATOM 18386 H1 TIP3 6177 38.396 10.266 39.840 1.00 0.00 WT1 H ATOM 18387 H2 TIP3 6177 39.001 9.174 40.696 1.00 0.00 WT1 H ATOM 18388 OH2 TIP3 6178 68.537 80.776 -18.572 1.00 0.00 WT1 O ATOM 18389 H1 TIP3 6178 67.657 80.399 -18.585 1.00 0.00 WT1 H ATOM 18390 H2 TIP3 6178 68.862 80.658 -19.465 1.00 0.00 WT1 H ATOM 18391 OH2 TIP3 6180 90.272 46.939 -0.332 1.00 0.00 WT1 O ATOM 18392 H1 TIP3 6180 90.577 46.635 0.523 1.00 0.00 WT1 H ATOM 18393 H2 TIP3 6180 89.328 46.780 -0.321 1.00 0.00 WT1 H ATOM 18394 OH2 TIP3 6181 60.120 88.885 -14.536 1.00 0.00 WT1 O ATOM 18395 H1 TIP3 6181 60.539 89.292 -15.294 1.00 0.00 WT1 H ATOM 18396 H2 TIP3 6181 60.013 89.600 -13.909 1.00 0.00 WT1 H ATOM 18397 OH2 TIP3 6182 33.371 59.252 10.992 1.00 0.00 WT1 O ATOM 18398 H1 TIP3 6182 34.243 59.389 11.360 1.00 0.00 WT1 H ATOM 18399 H2 TIP3 6182 32.777 59.360 11.736 1.00 0.00 WT1 H ATOM 18400 OH2 TIP3 6183 22.400 8.964 51.220 1.00 0.00 WT1 O ATOM 18401 H1 TIP3 6183 22.371 8.659 50.313 1.00 0.00 WT1 H ATOM 18402 H2 TIP3 6183 22.573 9.903 51.152 1.00 0.00 WT1 H ATOM 18403 OH2 TIP3 6184 84.434 3.154 47.559 1.00 0.00 WT1 O ATOM 18404 H1 TIP3 6184 83.700 3.524 47.069 1.00 0.00 WT1 H ATOM 18405 H2 TIP3 6184 84.507 2.254 47.240 1.00 0.00 WT1 H ATOM 18406 OH2 TIP3 6186 49.686 44.726 1.617 1.00 0.00 WT1 O ATOM 18407 H1 TIP3 6186 49.806 45.307 0.866 1.00 0.00 WT1 H ATOM 18408 H2 TIP3 6186 50.544 44.702 2.041 1.00 0.00 WT1 H ATOM 18409 OH2 TIP3 6187 40.776 87.125 18.478 1.00 0.00 WT1 O ATOM 18410 H1 TIP3 6187 41.299 87.900 18.683 1.00 0.00 WT1 H ATOM 18411 H2 TIP3 6187 41.063 86.867 17.602 1.00 0.00 WT1 H ATOM 18412 OH2 TIP3 6188 59.229 10.825 31.628 1.00 0.00 WT1 O ATOM 18413 H1 TIP3 6188 59.424 11.110 30.736 1.00 0.00 WT1 H ATOM 18414 H2 TIP3 6188 58.275 10.757 31.655 1.00 0.00 WT1 H ATOM 18415 OH2 TIP3 6189 31.238 82.158 -1.226 1.00 0.00 WT1 O ATOM 18416 H1 TIP3 6189 30.570 81.938 -1.876 1.00 0.00 WT1 H ATOM 18417 H2 TIP3 6189 32.053 82.202 -1.726 1.00 0.00 WT1 H ATOM 18418 OH2 TIP3 6191 72.973 41.812 52.330 1.00 0.00 WT1 O ATOM 18419 H1 TIP3 6191 73.655 42.395 52.664 1.00 0.00 WT1 H ATOM 18420 H2 TIP3 6191 72.935 41.097 52.966 1.00 0.00 WT1 H ATOM 18421 OH2 TIP3 6192 80.525 17.360 3.959 1.00 0.00 WT1 O ATOM 18422 H1 TIP3 6192 79.846 17.432 3.289 1.00 0.00 WT1 H ATOM 18423 H2 TIP3 6192 80.565 18.230 4.356 1.00 0.00 WT1 H ATOM 18424 OH2 TIP3 6193 24.010 77.339 6.234 1.00 0.00 WT1 O ATOM 18425 H1 TIP3 6193 24.401 76.473 6.356 1.00 0.00 WT1 H ATOM 18426 H2 TIP3 6193 24.757 77.922 6.097 1.00 0.00 WT1 H ATOM 18427 OH2 TIP3 6194 78.739 50.755 -18.146 1.00 0.00 WT1 O ATOM 18428 H1 TIP3 6194 78.336 51.487 -17.677 1.00 0.00 WT1 H ATOM 18429 H2 TIP3 6194 78.115 50.036 -18.050 1.00 0.00 WT1 H ATOM 18430 OH2 TIP3 6195 21.481 79.888 -9.554 1.00 0.00 WT1 O ATOM 18431 H1 TIP3 6195 22.229 79.337 -9.323 1.00 0.00 WT1 H ATOM 18432 H2 TIP3 6195 21.022 80.029 -8.727 1.00 0.00 WT1 H ATOM 18433 OH2 TIP3 6196 43.682 25.537 56.389 1.00 0.00 WT1 O ATOM 18434 H1 TIP3 6196 43.072 25.737 57.099 1.00 0.00 WT1 H ATOM 18435 H2 TIP3 6196 43.396 24.685 56.059 1.00 0.00 WT1 H ATOM 18436 OH2 TIP3 6197 73.462 58.437 66.761 1.00 0.00 WT1 O ATOM 18437 H1 TIP3 6197 73.978 59.082 67.245 1.00 0.00 WT1 H ATOM 18438 H2 TIP3 6197 74.097 57.773 66.494 1.00 0.00 WT1 H ATOM 18439 OH2 TIP3 6198 88.282 1.085 9.481 1.00 0.00 WT1 O ATOM 18440 H1 TIP3 6198 87.904 1.835 9.022 1.00 0.00 WT1 H ATOM 18441 H2 TIP3 6198 87.573 0.442 9.514 1.00 0.00 WT1 H ATOM 18442 OH2 TIP3 6199 50.196 55.852 -5.616 1.00 0.00 WT1 O ATOM 18443 H1 TIP3 6199 50.535 56.220 -4.799 1.00 0.00 WT1 H ATOM 18444 H2 TIP3 6199 50.388 54.916 -5.554 1.00 0.00 WT1 H ATOM 18445 OH2 TIP3 6200 85.698 59.619 57.613 1.00 0.00 WT1 O ATOM 18446 H1 TIP3 6200 85.303 58.752 57.517 1.00 0.00 WT1 H ATOM 18447 H2 TIP3 6200 86.372 59.503 58.283 1.00 0.00 WT1 H ATOM 18448 OH2 TIP3 6201 51.991 8.710 -17.850 1.00 0.00 WT1 O ATOM 18449 H1 TIP3 6201 52.060 8.124 -18.604 1.00 0.00 WT1 H ATOM 18450 H2 TIP3 6201 51.506 8.205 -17.198 1.00 0.00 WT1 H ATOM 18451 OH2 TIP3 6202 56.386 30.277 44.933 1.00 0.00 WT1 O ATOM 18452 H1 TIP3 6202 56.937 31.043 44.771 1.00 0.00 WT1 H ATOM 18453 H2 TIP3 6202 56.896 29.540 44.598 1.00 0.00 WT1 H ATOM 18454 OH2 TIP3 6203 51.299 20.770 -3.364 1.00 0.00 WT1 O ATOM 18455 H1 TIP3 6203 52.190 21.009 -3.620 1.00 0.00 WT1 H ATOM 18456 H2 TIP3 6203 51.028 21.464 -2.764 1.00 0.00 WT1 H ATOM 18457 OH2 TIP3 6204 51.166 13.658 27.601 1.00 0.00 WT1 O ATOM 18458 H1 TIP3 6204 51.817 13.180 27.087 1.00 0.00 WT1 H ATOM 18459 H2 TIP3 6204 51.032 14.474 27.119 1.00 0.00 WT1 H ATOM 18460 OH2 TIP3 6205 55.243 95.818 -7.974 1.00 0.00 WT1 O ATOM 18461 H1 TIP3 6205 54.725 95.027 -8.125 1.00 0.00 WT1 H ATOM 18462 H2 TIP3 6205 56.148 95.545 -8.123 1.00 0.00 WT1 H ATOM 18463 OH2 TIP3 6207 81.003 92.968 -11.460 1.00 0.00 WT1 O ATOM 18464 H1 TIP3 6207 81.722 93.198 -10.871 1.00 0.00 WT1 H ATOM 18465 H2 TIP3 6207 81.400 92.389 -12.111 1.00 0.00 WT1 H ATOM 18466 OH2 TIP3 6208 30.015 39.648 24.391 1.00 0.00 WT1 O ATOM 18467 H1 TIP3 6208 30.806 39.109 24.420 1.00 0.00 WT1 H ATOM 18468 H2 TIP3 6208 30.074 40.116 23.558 1.00 0.00 WT1 H ATOM 18469 OH2 TIP3 6209 53.637 55.095 19.774 1.00 0.00 WT1 O ATOM 18470 H1 TIP3 6209 53.676 54.568 20.572 1.00 0.00 WT1 H ATOM 18471 H2 TIP3 6209 53.428 55.978 20.080 1.00 0.00 WT1 H ATOM 18472 OH2 TIP3 6210 88.512 48.150 15.670 1.00 0.00 WT1 O ATOM 18473 H1 TIP3 6210 87.897 48.215 14.940 1.00 0.00 WT1 H ATOM 18474 H2 TIP3 6210 89.376 48.223 15.263 1.00 0.00 WT1 H ATOM 18475 OH2 TIP3 6211 35.033 62.973 10.226 1.00 0.00 WT1 O ATOM 18476 H1 TIP3 6211 35.777 62.401 10.038 1.00 0.00 WT1 H ATOM 18477 H2 TIP3 6211 35.405 63.691 10.737 1.00 0.00 WT1 H ATOM 18478 OH2 TIP3 6212 87.014 38.977 27.693 1.00 0.00 WT1 O ATOM 18479 H1 TIP3 6212 87.761 39.431 28.084 1.00 0.00 WT1 H ATOM 18480 H2 TIP3 6212 86.303 39.617 27.721 1.00 0.00 WT1 H ATOM 18481 OH2 TIP3 6213 38.357 78.175 49.242 1.00 0.00 WT1 O ATOM 18482 H1 TIP3 6213 38.700 78.941 48.780 1.00 0.00 WT1 H ATOM 18483 H2 TIP3 6213 38.490 78.374 50.168 1.00 0.00 WT1 H ATOM 18484 OH2 TIP3 6214 54.812 37.377 64.716 1.00 0.00 WT1 O ATOM 18485 H1 TIP3 6214 54.487 36.477 64.706 1.00 0.00 WT1 H ATOM 18486 H2 TIP3 6214 55.599 37.354 64.172 1.00 0.00 WT1 H ATOM 18487 OH2 TIP3 6215 76.940 72.225 15.143 1.00 0.00 WT1 O ATOM 18488 H1 TIP3 6215 76.199 72.815 15.284 1.00 0.00 WT1 H ATOM 18489 H2 TIP3 6215 76.801 71.870 14.265 1.00 0.00 WT1 H ATOM 18490 OH2 TIP3 6216 85.695 79.443 40.989 1.00 0.00 WT1 O ATOM 18491 H1 TIP3 6216 85.966 78.549 41.200 1.00 0.00 WT1 H ATOM 18492 H2 TIP3 6216 84.918 79.334 40.440 1.00 0.00 WT1 H ATOM 18493 OH2 TIP3 6217 62.380 9.253 44.983 1.00 0.00 WT1 O ATOM 18494 H1 TIP3 6217 62.289 8.371 45.342 1.00 0.00 WT1 H ATOM 18495 H2 TIP3 6217 62.214 9.150 44.046 1.00 0.00 WT1 H ATOM 18496 OH2 TIP3 6218 30.453 82.380 -11.694 1.00 0.00 WT1 O ATOM 18497 H1 TIP3 6218 30.298 83.206 -12.152 1.00 0.00 WT1 H ATOM 18498 H2 TIP3 6218 31.162 82.575 -11.081 1.00 0.00 WT1 H ATOM 18499 OH2 TIP3 6219 42.225 53.152 48.402 1.00 0.00 WT1 O ATOM 18500 H1 TIP3 6219 42.324 53.115 47.451 1.00 0.00 WT1 H ATOM 18501 H2 TIP3 6219 42.053 54.075 48.590 1.00 0.00 WT1 H ATOM 18502 OH2 TIP3 6220 88.421 80.083 3.631 1.00 0.00 WT1 O ATOM 18503 H1 TIP3 6220 87.750 79.401 3.618 1.00 0.00 WT1 H ATOM 18504 H2 TIP3 6220 88.630 80.198 4.558 1.00 0.00 WT1 H ATOM 18505 OH2 TIP3 6221 83.249 55.866 12.452 1.00 0.00 WT1 O ATOM 18506 H1 TIP3 6221 83.518 55.609 13.334 1.00 0.00 WT1 H ATOM 18507 H2 TIP3 6221 83.883 56.533 12.192 1.00 0.00 WT1 H ATOM 18508 OH2 TIP3 6223 78.438 89.376 9.591 1.00 0.00 WT1 O ATOM 18509 H1 TIP3 6223 78.667 89.294 8.665 1.00 0.00 WT1 H ATOM 18510 H2 TIP3 6223 79.104 88.863 10.049 1.00 0.00 WT1 H ATOM 18511 OH2 TIP3 6224 61.587 95.157 63.345 1.00 0.00 WT1 O ATOM 18512 H1 TIP3 6224 60.960 94.784 63.964 1.00 0.00 WT1 H ATOM 18513 H2 TIP3 6224 62.164 94.427 63.118 1.00 0.00 WT1 H ATOM 18514 OH2 TIP3 6225 64.871 23.232 23.695 1.00 0.00 WT1 O ATOM 18515 H1 TIP3 6225 64.154 22.941 24.258 1.00 0.00 WT1 H ATOM 18516 H2 TIP3 6225 65.660 23.089 24.217 1.00 0.00 WT1 H ATOM 18517 OH2 TIP3 6227 88.467 21.575 65.546 1.00 0.00 WT1 O ATOM 18518 H1 TIP3 6227 88.215 22.316 64.996 1.00 0.00 WT1 H ATOM 18519 H2 TIP3 6227 88.037 21.741 66.384 1.00 0.00 WT1 H ATOM 18520 OH2 TIP3 6228 40.335 8.702 26.113 1.00 0.00 WT1 O ATOM 18521 H1 TIP3 6228 40.881 9.031 26.827 1.00 0.00 WT1 H ATOM 18522 H2 TIP3 6228 40.838 8.888 25.320 1.00 0.00 WT1 H ATOM 18523 OH2 TIP3 6229 75.296 87.759 19.235 1.00 0.00 WT1 O ATOM 18524 H1 TIP3 6229 74.410 87.433 19.391 1.00 0.00 WT1 H ATOM 18525 H2 TIP3 6229 75.632 87.969 20.107 1.00 0.00 WT1 H ATOM 18526 OH2 TIP3 6230 70.114 54.709 27.345 1.00 0.00 WT1 O ATOM 18527 H1 TIP3 6230 69.881 53.868 26.951 1.00 0.00 WT1 H ATOM 18528 H2 TIP3 6230 69.351 54.946 27.872 1.00 0.00 WT1 H ATOM 18529 OH2 TIP3 6231 47.739 20.524 55.712 1.00 0.00 WT1 O ATOM 18530 H1 TIP3 6231 48.253 19.718 55.748 1.00 0.00 WT1 H ATOM 18531 H2 TIP3 6231 48.289 21.138 55.225 1.00 0.00 WT1 H ATOM 18532 OH2 TIP3 6232 52.696 44.723 61.299 1.00 0.00 WT1 O ATOM 18533 H1 TIP3 6232 53.525 44.745 61.776 1.00 0.00 WT1 H ATOM 18534 H2 TIP3 6232 52.510 45.641 61.099 1.00 0.00 WT1 H ATOM 18535 OH2 TIP3 6233 48.129 12.119 17.559 1.00 0.00 WT1 O ATOM 18536 H1 TIP3 6233 48.128 12.978 17.136 1.00 0.00 WT1 H ATOM 18537 H2 TIP3 6233 49.015 12.024 17.907 1.00 0.00 WT1 H ATOM 18538 OH2 TIP3 6234 46.468 52.656 43.567 1.00 0.00 WT1 O ATOM 18539 H1 TIP3 6234 46.657 53.216 42.814 1.00 0.00 WT1 H ATOM 18540 H2 TIP3 6234 45.526 52.496 43.517 1.00 0.00 WT1 H ATOM 18541 OH2 TIP3 6235 86.529 39.065 -5.914 1.00 0.00 WT1 O ATOM 18542 H1 TIP3 6235 86.809 39.925 -6.228 1.00 0.00 WT1 H ATOM 18543 H2 TIP3 6235 87.344 38.586 -5.765 1.00 0.00 WT1 H ATOM 18544 OH2 TIP3 6236 50.102 8.955 29.108 1.00 0.00 WT1 O ATOM 18545 H1 TIP3 6236 49.811 9.867 29.111 1.00 0.00 WT1 H ATOM 18546 H2 TIP3 6236 49.357 8.464 29.454 1.00 0.00 WT1 H ATOM 18547 OH2 TIP3 6237 55.286 12.075 45.052 1.00 0.00 WT1 O ATOM 18548 H1 TIP3 6237 55.593 11.583 45.813 1.00 0.00 WT1 H ATOM 18549 H2 TIP3 6237 55.658 12.949 45.164 1.00 0.00 WT1 H ATOM 18550 OH2 TIP3 6238 54.426 11.063 3.222 1.00 0.00 WT1 O ATOM 18551 H1 TIP3 6238 54.623 11.593 3.995 1.00 0.00 WT1 H ATOM 18552 H2 TIP3 6238 53.562 10.692 3.400 1.00 0.00 WT1 H ATOM 18553 OH2 TIP3 6239 60.756 31.500 -5.872 1.00 0.00 WT1 O ATOM 18554 H1 TIP3 6239 60.052 32.079 -6.166 1.00 0.00 WT1 H ATOM 18555 H2 TIP3 6239 61.390 32.085 -5.457 1.00 0.00 WT1 H ATOM 18556 OH2 TIP3 6240 87.704 81.478 40.074 1.00 0.00 WT1 O ATOM 18557 H1 TIP3 6240 87.714 81.274 39.139 1.00 0.00 WT1 H ATOM 18558 H2 TIP3 6240 87.113 80.828 40.455 1.00 0.00 WT1 H ATOM 18559 OH2 TIP3 6241 38.324 3.119 28.585 1.00 0.00 WT1 O ATOM 18560 H1 TIP3 6241 38.811 3.481 29.325 1.00 0.00 WT1 H ATOM 18561 H2 TIP3 6241 37.940 2.310 28.923 1.00 0.00 WT1 H ATOM 18562 OH2 TIP3 6242 84.965 23.582 6.530 1.00 0.00 WT1 O ATOM 18563 H1 TIP3 6242 84.953 22.641 6.356 1.00 0.00 WT1 H ATOM 18564 H2 TIP3 6242 84.051 23.807 6.703 1.00 0.00 WT1 H ATOM 18565 OH2 TIP3 6243 30.684 94.443 -7.830 1.00 0.00 WT1 O ATOM 18566 H1 TIP3 6243 31.216 94.265 -8.606 1.00 0.00 WT1 H ATOM 18567 H2 TIP3 6243 30.212 95.248 -8.042 1.00 0.00 WT1 H ATOM 18568 OH2 TIP3 6245 78.037 33.536 48.685 1.00 0.00 WT1 O ATOM 18569 H1 TIP3 6245 78.075 32.613 48.433 1.00 0.00 WT1 H ATOM 18570 H2 TIP3 6245 78.798 33.932 48.261 1.00 0.00 WT1 H ATOM 18571 OH2 TIP3 6246 33.347 9.612 -16.531 1.00 0.00 WT1 O ATOM 18572 H1 TIP3 6246 33.873 10.278 -16.974 1.00 0.00 WT1 H ATOM 18573 H2 TIP3 6246 32.719 9.323 -17.193 1.00 0.00 WT1 H ATOM 18574 OH2 TIP3 6248 53.372 80.997 23.248 1.00 0.00 WT1 O ATOM 18575 H1 TIP3 6248 53.022 80.326 23.834 1.00 0.00 WT1 H ATOM 18576 H2 TIP3 6248 53.679 81.690 23.832 1.00 0.00 WT1 H ATOM 18577 OH2 TIP3 6249 60.458 94.772 -11.499 1.00 0.00 WT1 O ATOM 18578 H1 TIP3 6249 60.896 94.453 -12.289 1.00 0.00 WT1 H ATOM 18579 H2 TIP3 6249 60.186 93.978 -11.039 1.00 0.00 WT1 H ATOM 18580 OH2 TIP3 6250 51.890 23.880 22.989 1.00 0.00 WT1 O ATOM 18581 H1 TIP3 6250 52.618 23.834 23.609 1.00 0.00 WT1 H ATOM 18582 H2 TIP3 6250 51.977 24.741 22.581 1.00 0.00 WT1 H ATOM 18583 OH2 TIP3 6251 21.397 70.114 38.153 1.00 0.00 WT1 O ATOM 18584 H1 TIP3 6251 21.763 69.805 37.324 1.00 0.00 WT1 H ATOM 18585 H2 TIP3 6251 22.158 70.234 38.722 1.00 0.00 WT1 H ATOM 18586 OH2 TIP3 6252 80.658 27.457 -8.873 1.00 0.00 WT1 O ATOM 18587 H1 TIP3 6252 79.947 27.998 -9.215 1.00 0.00 WT1 H ATOM 18588 H2 TIP3 6252 81.177 27.226 -9.644 1.00 0.00 WT1 H ATOM 18589 OH2 TIP3 6253 34.245 91.953 35.360 1.00 0.00 WT1 O ATOM 18590 H1 TIP3 6253 33.418 92.420 35.482 1.00 0.00 WT1 H ATOM 18591 H2 TIP3 6253 34.301 91.362 36.111 1.00 0.00 WT1 H ATOM 18592 OH2 TIP3 6254 58.049 83.925 37.194 1.00 0.00 WT1 O ATOM 18593 H1 TIP3 6254 58.365 83.868 38.095 1.00 0.00 WT1 H ATOM 18594 H2 TIP3 6254 57.723 83.047 36.998 1.00 0.00 WT1 H ATOM 18595 OH2 TIP3 6255 70.629 78.853 38.129 1.00 0.00 WT1 O ATOM 18596 H1 TIP3 6255 70.543 79.530 38.801 1.00 0.00 WT1 H ATOM 18597 H2 TIP3 6255 70.301 79.264 37.330 1.00 0.00 WT1 H ATOM 18598 OH2 TIP3 6256 37.610 57.675 58.106 1.00 0.00 WT1 O ATOM 18599 H1 TIP3 6256 38.108 57.107 58.694 1.00 0.00 WT1 H ATOM 18600 H2 TIP3 6256 36.781 57.824 58.561 1.00 0.00 WT1 H ATOM 18601 OH2 TIP3 6257 46.893 89.560 0.343 1.00 0.00 WT1 O ATOM 18602 H1 TIP3 6257 47.324 90.389 0.549 1.00 0.00 WT1 H ATOM 18603 H2 TIP3 6257 47.588 89.012 -0.021 1.00 0.00 WT1 H ATOM 18604 OH2 TIP3 6258 49.877 28.649 37.200 1.00 0.00 WT1 O ATOM 18605 H1 TIP3 6258 49.792 29.114 36.368 1.00 0.00 WT1 H ATOM 18606 H2 TIP3 6258 48.976 28.468 37.467 1.00 0.00 WT1 H ATOM 18607 OH2 TIP3 6260 43.001 42.737 -0.918 1.00 0.00 WT1 O ATOM 18608 H1 TIP3 6260 42.640 41.943 -0.523 1.00 0.00 WT1 H ATOM 18609 H2 TIP3 6260 43.766 42.945 -0.382 1.00 0.00 WT1 H ATOM 18610 OH2 TIP3 6261 53.900 46.151 52.938 1.00 0.00 WT1 O ATOM 18611 H1 TIP3 6261 53.797 47.100 52.862 1.00 0.00 WT1 H ATOM 18612 H2 TIP3 6261 53.017 45.828 53.117 1.00 0.00 WT1 H ATOM 18613 OH2 TIP3 6262 56.776 19.973 6.532 1.00 0.00 WT1 O ATOM 18614 H1 TIP3 6262 56.630 19.356 7.248 1.00 0.00 WT1 H ATOM 18615 H2 TIP3 6262 56.393 20.795 6.840 1.00 0.00 WT1 H ATOM 18616 OH2 TIP3 6263 38.523 7.139 54.297 1.00 0.00 WT1 O ATOM 18617 H1 TIP3 6263 38.462 8.091 54.216 1.00 0.00 WT1 H ATOM 18618 H2 TIP3 6263 39.195 6.997 54.963 1.00 0.00 WT1 H ATOM 18619 OH2 TIP3 6264 85.914 22.936 -15.523 1.00 0.00 WT1 O ATOM 18620 H1 TIP3 6264 86.415 23.161 -14.739 1.00 0.00 WT1 H ATOM 18621 H2 TIP3 6264 85.932 21.979 -15.552 1.00 0.00 WT1 H ATOM 18622 OH2 TIP3 6266 39.548 7.197 43.292 1.00 0.00 WT1 O ATOM 18623 H1 TIP3 6266 39.801 7.828 42.618 1.00 0.00 WT1 H ATOM 18624 H2 TIP3 6266 38.739 7.551 43.662 1.00 0.00 WT1 H ATOM 18625 OH2 TIP3 6267 65.788 8.562 -17.779 1.00 0.00 WT1 O ATOM 18626 H1 TIP3 6267 66.626 8.729 -17.346 1.00 0.00 WT1 H ATOM 18627 H2 TIP3 6267 65.131 8.881 -17.160 1.00 0.00 WT1 H ATOM 18628 OH2 TIP3 6268 24.863 8.571 -11.166 1.00 0.00 WT1 O ATOM 18629 H1 TIP3 6268 24.411 7.739 -11.312 1.00 0.00 WT1 H ATOM 18630 H2 TIP3 6268 25.792 8.342 -11.166 1.00 0.00 WT1 H ATOM 18631 OH2 TIP3 6269 27.777 1.852 8.530 1.00 0.00 WT1 O ATOM 18632 H1 TIP3 6269 27.283 1.421 7.832 1.00 0.00 WT1 H ATOM 18633 H2 TIP3 6269 28.435 1.207 8.792 1.00 0.00 WT1 H ATOM 18634 OH2 TIP3 6270 57.906 93.703 30.174 1.00 0.00 WT1 O ATOM 18635 H1 TIP3 6270 58.593 94.289 30.491 1.00 0.00 WT1 H ATOM 18636 H2 TIP3 6270 57.091 94.176 30.342 1.00 0.00 WT1 H ATOM 18637 OH2 TIP3 6271 61.801 15.789 -17.218 1.00 0.00 WT1 O ATOM 18638 H1 TIP3 6271 62.044 14.899 -17.474 1.00 0.00 WT1 H ATOM 18639 H2 TIP3 6271 61.907 16.306 -18.017 1.00 0.00 WT1 H ATOM 18640 OH2 TIP3 6272 31.978 0.739 -4.926 1.00 0.00 WT1 O ATOM 18641 H1 TIP3 6272 31.651 1.507 -5.393 1.00 0.00 WT1 H ATOM 18642 H2 TIP3 6272 31.312 0.559 -4.263 1.00 0.00 WT1 H ATOM 18643 OH2 TIP3 6273 71.804 47.010 26.924 1.00 0.00 WT1 O ATOM 18644 H1 TIP3 6273 71.432 47.463 27.681 1.00 0.00 WT1 H ATOM 18645 H2 TIP3 6273 71.386 46.149 26.931 1.00 0.00 WT1 H ATOM 18646 OH2 TIP3 6274 77.474 15.980 50.108 1.00 0.00 WT1 O ATOM 18647 H1 TIP3 6274 77.196 16.896 50.107 1.00 0.00 WT1 H ATOM 18648 H2 TIP3 6274 76.996 15.584 49.379 1.00 0.00 WT1 H ATOM 18649 OH2 TIP3 6275 37.291 81.423 2.894 1.00 0.00 WT1 O ATOM 18650 H1 TIP3 6275 37.973 81.043 2.341 1.00 0.00 WT1 H ATOM 18651 H2 TIP3 6275 37.217 82.329 2.596 1.00 0.00 WT1 H ATOM 18652 OH2 TIP3 6276 74.097 72.202 59.680 1.00 0.00 WT1 O ATOM 18653 H1 TIP3 6276 74.299 72.530 60.557 1.00 0.00 WT1 H ATOM 18654 H2 TIP3 6276 73.793 72.972 59.200 1.00 0.00 WT1 H ATOM 18655 OH2 TIP3 6278 52.595 2.089 32.253 1.00 0.00 WT1 O ATOM 18656 H1 TIP3 6278 52.889 2.776 31.655 1.00 0.00 WT1 H ATOM 18657 H2 TIP3 6278 52.014 1.542 31.724 1.00 0.00 WT1 H ATOM 18658 OH2 TIP3 6279 26.752 42.194 -1.477 1.00 0.00 WT1 O ATOM 18659 H1 TIP3 6279 27.133 42.670 -0.739 1.00 0.00 WT1 H ATOM 18660 H2 TIP3 6279 25.990 42.714 -1.730 1.00 0.00 WT1 H ATOM 18661 OH2 TIP3 6280 57.339 89.080 30.299 1.00 0.00 WT1 O ATOM 18662 H1 TIP3 6280 56.738 88.926 31.027 1.00 0.00 WT1 H ATOM 18663 H2 TIP3 6280 56.815 89.550 29.651 1.00 0.00 WT1 H ATOM 18664 OH2 TIP3 6281 23.488 26.770 -19.158 1.00 0.00 WT1 O ATOM 18665 H1 TIP3 6281 24.300 26.303 -19.353 1.00 0.00 WT1 H ATOM 18666 H2 TIP3 6281 23.638 27.658 -19.483 1.00 0.00 WT1 H ATOM 18667 OH2 TIP3 6282 65.849 27.863 63.343 1.00 0.00 WT1 O ATOM 18668 H1 TIP3 6282 66.697 27.632 62.965 1.00 0.00 WT1 H ATOM 18669 H2 TIP3 6282 65.914 28.800 63.527 1.00 0.00 WT1 H ATOM 18670 OH2 TIP3 6283 44.291 59.537 -11.426 1.00 0.00 WT1 O ATOM 18671 H1 TIP3 6283 44.304 60.454 -11.699 1.00 0.00 WT1 H ATOM 18672 H2 TIP3 6283 44.335 59.571 -10.470 1.00 0.00 WT1 H ATOM 18673 OH2 TIP3 6284 71.925 73.863 53.571 1.00 0.00 WT1 O ATOM 18674 H1 TIP3 6284 71.591 74.757 53.644 1.00 0.00 WT1 H ATOM 18675 H2 TIP3 6284 72.164 73.771 52.649 1.00 0.00 WT1 H ATOM 18676 OH2 TIP3 6285 69.385 11.844 14.141 1.00 0.00 WT1 O ATOM 18677 H1 TIP3 6285 69.763 12.587 13.672 1.00 0.00 WT1 H ATOM 18678 H2 TIP3 6285 68.440 11.937 14.017 1.00 0.00 WT1 H ATOM 18679 OH2 TIP3 6286 51.742 84.228 45.265 1.00 0.00 WT1 O ATOM 18680 H1 TIP3 6286 51.674 85.067 44.809 1.00 0.00 WT1 H ATOM 18681 H2 TIP3 6286 51.373 83.592 44.653 1.00 0.00 WT1 H ATOM 18682 OH2 TIP3 6287 22.118 19.868 6.797 1.00 0.00 WT1 O ATOM 18683 H1 TIP3 6287 21.456 19.381 6.306 1.00 0.00 WT1 H ATOM 18684 H2 TIP3 6287 22.339 19.296 7.533 1.00 0.00 WT1 H ATOM 18685 OH2 TIP3 6288 67.891 3.185 26.123 1.00 0.00 WT1 O ATOM 18686 H1 TIP3 6288 67.712 2.863 25.240 1.00 0.00 WT1 H ATOM 18687 H2 TIP3 6288 68.846 3.181 26.191 1.00 0.00 WT1 H ATOM 18688 OH2 TIP3 6289 26.126 22.726 -11.062 1.00 0.00 WT1 O ATOM 18689 H1 TIP3 6289 26.112 23.215 -10.239 1.00 0.00 WT1 H ATOM 18690 H2 TIP3 6289 26.967 22.949 -11.459 1.00 0.00 WT1 H ATOM 18691 OH2 TIP3 6290 53.173 29.341 -6.855 1.00 0.00 WT1 O ATOM 18692 H1 TIP3 6290 53.510 29.011 -6.021 1.00 0.00 WT1 H ATOM 18693 H2 TIP3 6290 52.360 29.790 -6.624 1.00 0.00 WT1 H ATOM 18694 OH2 TIP3 6291 78.121 16.215 36.354 1.00 0.00 WT1 O ATOM 18695 H1 TIP3 6291 78.993 16.568 36.528 1.00 0.00 WT1 H ATOM 18696 H2 TIP3 6291 78.271 15.291 36.154 1.00 0.00 WT1 H ATOM 18697 OH2 TIP3 6292 57.321 17.853 -0.469 1.00 0.00 WT1 O ATOM 18698 H1 TIP3 6292 57.232 18.353 0.342 1.00 0.00 WT1 H ATOM 18699 H2 TIP3 6292 57.757 18.453 -1.074 1.00 0.00 WT1 H ATOM 18700 OH2 TIP3 6293 34.728 84.469 -11.776 1.00 0.00 WT1 O ATOM 18701 H1 TIP3 6293 34.920 84.230 -12.683 1.00 0.00 WT1 H ATOM 18702 H2 TIP3 6293 34.566 85.412 -11.805 1.00 0.00 WT1 H ATOM 18703 OH2 TIP3 6294 21.344 67.837 -14.349 1.00 0.00 WT1 O ATOM 18704 H1 TIP3 6294 20.620 68.182 -13.826 1.00 0.00 WT1 H ATOM 18705 H2 TIP3 6294 22.129 68.060 -13.848 1.00 0.00 WT1 H ATOM 18706 OH2 TIP3 6295 78.028 93.935 50.112 1.00 0.00 WT1 O ATOM 18707 H1 TIP3 6295 77.532 94.174 49.329 1.00 0.00 WT1 H ATOM 18708 H2 TIP3 6295 78.530 93.163 49.853 1.00 0.00 WT1 H ATOM 18709 OH2 TIP3 6296 50.346 15.156 35.315 1.00 0.00 WT1 O ATOM 18710 H1 TIP3 6296 49.547 14.948 34.831 1.00 0.00 WT1 H ATOM 18711 H2 TIP3 6296 50.508 14.381 35.853 1.00 0.00 WT1 H ATOM 18712 OH2 TIP3 6297 65.761 31.501 2.072 1.00 0.00 WT1 O ATOM 18713 H1 TIP3 6297 66.450 32.079 2.400 1.00 0.00 WT1 H ATOM 18714 H2 TIP3 6297 64.982 31.751 2.569 1.00 0.00 WT1 H ATOM 18715 OH2 TIP3 6298 78.295 18.910 -7.164 1.00 0.00 WT1 O ATOM 18716 H1 TIP3 6298 77.604 18.717 -6.531 1.00 0.00 WT1 H ATOM 18717 H2 TIP3 6298 78.727 19.691 -6.818 1.00 0.00 WT1 H ATOM 18718 OH2 TIP3 6299 45.927 93.892 37.068 1.00 0.00 WT1 O ATOM 18719 H1 TIP3 6299 45.385 93.363 37.654 1.00 0.00 WT1 H ATOM 18720 H2 TIP3 6299 46.279 93.265 36.436 1.00 0.00 WT1 H ATOM 18721 OH2 TIP3 6300 75.534 33.369 -12.541 1.00 0.00 WT1 O ATOM 18722 H1 TIP3 6300 76.325 33.724 -12.948 1.00 0.00 WT1 H ATOM 18723 H2 TIP3 6300 74.947 33.190 -13.276 1.00 0.00 WT1 H ATOM 18724 OH2 TIP3 6301 77.617 95.260 20.330 1.00 0.00 WT1 O ATOM 18725 H1 TIP3 6301 77.940 96.037 19.874 1.00 0.00 WT1 H ATOM 18726 H2 TIP3 6301 76.675 95.406 20.415 1.00 0.00 WT1 H ATOM 18727 OH2 TIP3 6302 85.688 12.676 6.022 1.00 0.00 WT1 O ATOM 18728 H1 TIP3 6302 86.076 13.193 6.728 1.00 0.00 WT1 H ATOM 18729 H2 TIP3 6302 84.780 12.542 6.292 1.00 0.00 WT1 H ATOM 18730 OH2 TIP3 6303 76.556 6.254 52.954 1.00 0.00 WT1 O ATOM 18731 H1 TIP3 6303 75.785 5.696 52.855 1.00 0.00 WT1 H ATOM 18732 H2 TIP3 6303 77.194 5.892 52.339 1.00 0.00 WT1 H ATOM 18733 OH2 TIP3 6304 37.784 62.438 21.584 1.00 0.00 WT1 O ATOM 18734 H1 TIP3 6304 37.944 62.742 20.691 1.00 0.00 WT1 H ATOM 18735 H2 TIP3 6304 38.579 61.960 21.822 1.00 0.00 WT1 H ATOM 18736 OH2 TIP3 6305 73.908 10.491 2.967 1.00 0.00 WT1 O ATOM 18737 H1 TIP3 6305 74.362 11.332 3.031 1.00 0.00 WT1 H ATOM 18738 H2 TIP3 6305 74.157 10.149 2.109 1.00 0.00 WT1 H ATOM 18739 OH2 TIP3 6306 56.897 28.755 42.355 1.00 0.00 WT1 O ATOM 18740 H1 TIP3 6306 56.486 28.954 41.513 1.00 0.00 WT1 H ATOM 18741 H2 TIP3 6306 56.354 28.061 42.729 1.00 0.00 WT1 H ATOM 18742 OH2 TIP3 6307 60.508 77.491 29.274 1.00 0.00 WT1 O ATOM 18743 H1 TIP3 6307 60.848 78.065 28.588 1.00 0.00 WT1 H ATOM 18744 H2 TIP3 6307 60.765 76.611 28.999 1.00 0.00 WT1 H ATOM 18745 OH2 TIP3 6308 40.848 63.538 -4.533 1.00 0.00 WT1 O ATOM 18746 H1 TIP3 6308 41.775 63.590 -4.300 1.00 0.00 WT1 H ATOM 18747 H2 TIP3 6308 40.474 62.931 -3.893 1.00 0.00 WT1 H ATOM 18748 OH2 TIP3 6309 50.490 17.029 7.206 1.00 0.00 WT1 O ATOM 18749 H1 TIP3 6309 50.276 17.601 7.942 1.00 0.00 WT1 H ATOM 18750 H2 TIP3 6309 49.702 17.031 6.663 1.00 0.00 WT1 H ATOM 18751 OH2 TIP3 6310 77.387 78.606 43.608 1.00 0.00 WT1 O ATOM 18752 H1 TIP3 6310 76.528 78.667 43.189 1.00 0.00 WT1 H ATOM 18753 H2 TIP3 6310 77.712 77.739 43.365 1.00 0.00 WT1 H ATOM 18754 OH2 TIP3 6311 82.096 88.828 18.493 1.00 0.00 WT1 O ATOM 18755 H1 TIP3 6311 82.735 89.307 19.021 1.00 0.00 WT1 H ATOM 18756 H2 TIP3 6311 82.186 87.918 18.775 1.00 0.00 WT1 H ATOM 18757 OH2 TIP3 6312 63.546 22.589 -1.196 1.00 0.00 WT1 O ATOM 18758 H1 TIP3 6312 63.890 22.836 -0.338 1.00 0.00 WT1 H ATOM 18759 H2 TIP3 6312 63.302 21.668 -1.101 1.00 0.00 WT1 H ATOM 18760 OH2 TIP3 6313 39.182 21.207 2.650 1.00 0.00 WT1 O ATOM 18761 H1 TIP3 6313 38.875 22.113 2.692 1.00 0.00 WT1 H ATOM 18762 H2 TIP3 6313 39.649 21.074 3.475 1.00 0.00 WT1 H ATOM 18763 OH2 TIP3 6315 64.616 44.737 -14.916 1.00 0.00 WT1 O ATOM 18764 H1 TIP3 6315 65.048 45.406 -14.384 1.00 0.00 WT1 H ATOM 18765 H2 TIP3 6315 64.563 43.972 -14.343 1.00 0.00 WT1 H ATOM 18766 OH2 TIP3 6316 74.965 63.720 28.479 1.00 0.00 WT1 O ATOM 18767 H1 TIP3 6316 74.258 63.591 27.847 1.00 0.00 WT1 H ATOM 18768 H2 TIP3 6316 74.520 63.800 29.323 1.00 0.00 WT1 H ATOM 18769 OH2 TIP3 6317 43.407 27.522 -6.054 1.00 0.00 WT1 O ATOM 18770 H1 TIP3 6317 43.791 28.013 -5.327 1.00 0.00 WT1 H ATOM 18771 H2 TIP3 6317 42.897 28.171 -6.539 1.00 0.00 WT1 H ATOM 18772 OH2 TIP3 6318 69.409 36.027 35.450 1.00 0.00 WT1 O ATOM 18773 H1 TIP3 6318 68.797 36.760 35.516 1.00 0.00 WT1 H ATOM 18774 H2 TIP3 6318 69.745 36.074 34.555 1.00 0.00 WT1 H ATOM 18775 OH2 TIP3 6319 48.108 38.681 63.705 1.00 0.00 WT1 O ATOM 18776 H1 TIP3 6319 48.594 39.458 63.427 1.00 0.00 WT1 H ATOM 18777 H2 TIP3 6319 48.776 38.097 64.065 1.00 0.00 WT1 H ATOM 18778 OH2 TIP3 6320 59.778 51.641 59.426 1.00 0.00 WT1 O ATOM 18779 H1 TIP3 6320 60.487 52.018 58.906 1.00 0.00 WT1 H ATOM 18780 H2 TIP3 6320 60.218 51.065 60.051 1.00 0.00 WT1 H ATOM 18781 OH2 TIP3 6321 51.872 40.781 -2.475 1.00 0.00 WT1 O ATOM 18782 H1 TIP3 6321 51.251 41.154 -3.100 1.00 0.00 WT1 H ATOM 18783 H2 TIP3 6321 51.862 41.387 -1.735 1.00 0.00 WT1 H ATOM 18784 OH2 TIP3 6323 24.872 9.510 61.000 1.00 0.00 WT1 O ATOM 18785 H1 TIP3 6323 25.540 9.239 60.370 1.00 0.00 WT1 H ATOM 18786 H2 TIP3 6323 24.831 10.462 60.911 1.00 0.00 WT1 H ATOM 18787 OH2 TIP3 6324 48.800 27.969 57.747 1.00 0.00 WT1 O ATOM 18788 H1 TIP3 6324 48.598 28.711 57.177 1.00 0.00 WT1 H ATOM 18789 H2 TIP3 6324 49.687 27.710 57.498 1.00 0.00 WT1 H ATOM 18790 OH2 TIP3 6325 40.155 4.732 -2.229 1.00 0.00 WT1 O ATOM 18791 H1 TIP3 6325 39.228 4.598 -2.034 1.00 0.00 WT1 H ATOM 18792 H2 TIP3 6325 40.605 4.038 -1.746 1.00 0.00 WT1 H ATOM 18793 OH2 TIP3 6326 80.803 51.627 48.834 1.00 0.00 WT1 O ATOM 18794 H1 TIP3 6326 81.417 51.219 48.224 1.00 0.00 WT1 H ATOM 18795 H2 TIP3 6326 80.210 52.131 48.277 1.00 0.00 WT1 H ATOM 18796 OH2 TIP3 6327 73.018 24.205 13.481 1.00 0.00 WT1 O ATOM 18797 H1 TIP3 6327 73.966 24.253 13.604 1.00 0.00 WT1 H ATOM 18798 H2 TIP3 6327 72.769 23.365 13.868 1.00 0.00 WT1 H ATOM 18799 OH2 TIP3 6328 65.079 14.107 63.855 1.00 0.00 WT1 O ATOM 18800 H1 TIP3 6328 66.005 14.231 64.063 1.00 0.00 WT1 H ATOM 18801 H2 TIP3 6328 64.953 14.576 63.030 1.00 0.00 WT1 H ATOM 18802 OH2 TIP3 6329 38.273 90.053 51.727 1.00 0.00 WT1 O ATOM 18803 H1 TIP3 6329 37.852 90.783 52.181 1.00 0.00 WT1 H ATOM 18804 H2 TIP3 6329 38.167 90.254 50.798 1.00 0.00 WT1 H ATOM 18805 OH2 TIP3 6330 74.052 48.766 32.757 1.00 0.00 WT1 O ATOM 18806 H1 TIP3 6330 73.479 48.009 32.877 1.00 0.00 WT1 H ATOM 18807 H2 TIP3 6330 73.474 49.455 32.429 1.00 0.00 WT1 H ATOM 18808 OH2 TIP3 6331 67.634 3.336 3.574 1.00 0.00 WT1 O ATOM 18809 H1 TIP3 6331 68.381 3.904 3.387 1.00 0.00 WT1 H ATOM 18810 H2 TIP3 6331 68.016 2.567 3.995 1.00 0.00 WT1 H ATOM 18811 OH2 TIP3 6332 70.965 90.853 -19.674 1.00 0.00 WT1 O ATOM 18812 H1 TIP3 6332 70.453 90.638 -18.894 1.00 0.00 WT1 H ATOM 18813 H2 TIP3 6332 70.453 91.528 -20.119 1.00 0.00 WT1 H ATOM 18814 OH2 TIP3 6333 60.004 18.666 -16.903 1.00 0.00 WT1 O ATOM 18815 H1 TIP3 6333 60.767 18.228 -17.281 1.00 0.00 WT1 H ATOM 18816 H2 TIP3 6333 59.858 18.217 -16.070 1.00 0.00 WT1 H ATOM 18817 OH2 TIP3 6334 45.683 20.940 36.230 1.00 0.00 WT1 O ATOM 18818 H1 TIP3 6334 45.638 21.886 36.373 1.00 0.00 WT1 H ATOM 18819 H2 TIP3 6334 46.381 20.829 35.584 1.00 0.00 WT1 H ATOM 18820 OH2 TIP3 6335 47.405 43.704 29.772 1.00 0.00 WT1 O ATOM 18821 H1 TIP3 6335 47.249 43.934 28.857 1.00 0.00 WT1 H ATOM 18822 H2 TIP3 6335 48.315 43.408 29.794 1.00 0.00 WT1 H ATOM 18823 OH2 TIP3 6336 55.801 89.532 -18.417 1.00 0.00 WT1 O ATOM 18824 H1 TIP3 6336 56.684 89.348 -18.736 1.00 0.00 WT1 H ATOM 18825 H2 TIP3 6336 55.863 90.402 -18.024 1.00 0.00 WT1 H ATOM 18826 OH2 TIP3 6337 71.936 95.643 44.243 1.00 0.00 WT1 O ATOM 18827 H1 TIP3 6337 71.543 95.868 43.400 1.00 0.00 WT1 H ATOM 18828 H2 TIP3 6337 72.365 96.449 44.531 1.00 0.00 WT1 H ATOM 18829 OH2 TIP3 6338 24.471 53.535 52.935 1.00 0.00 WT1 O ATOM 18830 H1 TIP3 6338 23.667 53.025 52.838 1.00 0.00 WT1 H ATOM 18831 H2 TIP3 6338 24.339 54.042 53.736 1.00 0.00 WT1 H ATOM 18832 OH2 TIP3 6339 49.772 32.078 -12.674 1.00 0.00 WT1 O ATOM 18833 H1 TIP3 6339 49.927 31.484 -11.940 1.00 0.00 WT1 H ATOM 18834 H2 TIP3 6339 49.834 32.953 -12.292 1.00 0.00 WT1 H ATOM 18835 OH2 TIP3 6340 79.473 72.115 5.502 1.00 0.00 WT1 O ATOM 18836 H1 TIP3 6340 78.714 72.675 5.667 1.00 0.00 WT1 H ATOM 18837 H2 TIP3 6340 79.233 71.269 5.879 1.00 0.00 WT1 H ATOM 18838 OH2 TIP3 6341 27.205 23.934 60.797 1.00 0.00 WT1 O ATOM 18839 H1 TIP3 6341 26.478 24.413 60.400 1.00 0.00 WT1 H ATOM 18840 H2 TIP3 6341 27.751 23.669 60.056 1.00 0.00 WT1 H ATOM 18841 OH2 TIP3 6342 55.866 28.585 8.154 1.00 0.00 WT1 O ATOM 18842 H1 TIP3 6342 55.834 28.151 9.006 1.00 0.00 WT1 H ATOM 18843 H2 TIP3 6342 56.732 28.370 7.807 1.00 0.00 WT1 H ATOM 18844 OH2 TIP3 6344 83.232 43.955 9.269 1.00 0.00 WT1 O ATOM 18845 H1 TIP3 6344 83.894 43.398 9.679 1.00 0.00 WT1 H ATOM 18846 H2 TIP3 6344 83.558 44.846 9.393 1.00 0.00 WT1 H ATOM 18847 OH2 TIP3 6345 74.256 47.156 30.367 1.00 0.00 WT1 O ATOM 18848 H1 TIP3 6345 74.140 46.632 29.575 1.00 0.00 WT1 H ATOM 18849 H2 TIP3 6345 73.901 48.015 30.141 1.00 0.00 WT1 H ATOM 18850 OH2 TIP3 6346 76.403 36.364 12.844 1.00 0.00 WT1 O ATOM 18851 H1 TIP3 6346 76.511 36.140 11.920 1.00 0.00 WT1 H ATOM 18852 H2 TIP3 6346 75.865 37.155 12.839 1.00 0.00 WT1 H ATOM 18853 OH2 TIP3 6347 86.774 29.943 61.011 1.00 0.00 WT1 O ATOM 18854 H1 TIP3 6347 86.477 29.107 61.370 1.00 0.00 WT1 H ATOM 18855 H2 TIP3 6347 87.621 29.744 60.611 1.00 0.00 WT1 H ATOM 18856 OH2 TIP3 6348 69.413 72.021 28.735 1.00 0.00 WT1 O ATOM 18857 H1 TIP3 6348 68.575 71.820 29.152 1.00 0.00 WT1 H ATOM 18858 H2 TIP3 6348 69.230 71.979 27.796 1.00 0.00 WT1 H ATOM 18859 OH2 TIP3 6349 86.448 45.163 23.493 1.00 0.00 WT1 O ATOM 18860 H1 TIP3 6349 85.567 45.332 23.159 1.00 0.00 WT1 H ATOM 18861 H2 TIP3 6349 86.330 45.052 24.436 1.00 0.00 WT1 H ATOM 18862 OH2 TIP3 6351 80.060 38.228 43.418 1.00 0.00 WT1 O ATOM 18863 H1 TIP3 6351 80.249 39.041 43.886 1.00 0.00 WT1 H ATOM 18864 H2 TIP3 6351 80.858 38.047 42.921 1.00 0.00 WT1 H ATOM 18865 OH2 TIP3 6352 47.435 4.262 45.228 1.00 0.00 WT1 O ATOM 18866 H1 TIP3 6352 47.219 3.345 45.395 1.00 0.00 WT1 H ATOM 18867 H2 TIP3 6352 48.038 4.235 44.485 1.00 0.00 WT1 H ATOM 18868 OH2 TIP3 6353 44.169 68.626 -14.310 1.00 0.00 WT1 O ATOM 18869 H1 TIP3 6353 44.061 68.108 -13.512 1.00 0.00 WT1 H ATOM 18870 H2 TIP3 6353 45.001 69.084 -14.188 1.00 0.00 WT1 H ATOM 18871 OH2 TIP3 6354 38.914 39.267 8.934 1.00 0.00 WT1 O ATOM 18872 H1 TIP3 6354 39.547 39.978 9.029 1.00 0.00 WT1 H ATOM 18873 H2 TIP3 6354 38.302 39.392 9.659 1.00 0.00 WT1 H ATOM 18874 OH2 TIP3 6356 73.947 13.773 1.807 1.00 0.00 WT1 O ATOM 18875 H1 TIP3 6356 73.076 13.431 1.608 1.00 0.00 WT1 H ATOM 18876 H2 TIP3 6356 74.062 13.609 2.743 1.00 0.00 WT1 H ATOM 18877 OH2 TIP3 6357 76.673 92.699 36.823 1.00 0.00 WT1 O ATOM 18878 H1 TIP3 6357 77.262 93.107 36.189 1.00 0.00 WT1 H ATOM 18879 H2 TIP3 6357 76.261 93.434 37.277 1.00 0.00 WT1 H ATOM 18880 OH2 TIP3 6358 76.003 1.147 -3.320 1.00 0.00 WT1 O ATOM 18881 H1 TIP3 6358 75.432 1.781 -2.885 1.00 0.00 WT1 H ATOM 18882 H2 TIP3 6358 76.884 1.504 -3.213 1.00 0.00 WT1 H ATOM 18883 OH2 TIP3 6359 81.665 32.088 27.872 1.00 0.00 WT1 O ATOM 18884 H1 TIP3 6359 80.762 32.228 27.587 1.00 0.00 WT1 H ATOM 18885 H2 TIP3 6359 81.591 31.494 28.619 1.00 0.00 WT1 H ATOM 18886 OH2 TIP3 6360 79.760 36.640 -4.377 1.00 0.00 WT1 O ATOM 18887 H1 TIP3 6360 80.634 37.026 -4.317 1.00 0.00 WT1 H ATOM 18888 H2 TIP3 6360 79.863 35.909 -4.986 1.00 0.00 WT1 H ATOM 18889 OH2 TIP3 6362 67.906 95.774 32.755 1.00 0.00 WT1 O ATOM 18890 H1 TIP3 6362 68.685 95.333 32.416 1.00 0.00 WT1 H ATOM 18891 H2 TIP3 6362 67.269 95.717 32.042 1.00 0.00 WT1 H ATOM 18892 OH2 TIP3 6363 62.169 57.143 38.847 1.00 0.00 WT1 O ATOM 18893 H1 TIP3 6363 61.637 57.455 38.115 1.00 0.00 WT1 H ATOM 18894 H2 TIP3 6363 61.783 56.300 39.082 1.00 0.00 WT1 H ATOM 18895 OH2 TIP3 6364 34.400 91.289 -18.543 1.00 0.00 WT1 O ATOM 18896 H1 TIP3 6364 34.506 90.764 -17.750 1.00 0.00 WT1 H ATOM 18897 H2 TIP3 6364 34.662 92.172 -18.282 1.00 0.00 WT1 H ATOM 18898 OH2 TIP3 6365 67.709 80.558 50.109 1.00 0.00 WT1 O ATOM 18899 H1 TIP3 6365 67.444 80.077 50.893 1.00 0.00 WT1 H ATOM 18900 H2 TIP3 6365 67.006 80.395 49.479 1.00 0.00 WT1 H ATOM 18901 OH2 TIP3 6366 85.292 71.499 27.245 1.00 0.00 WT1 O ATOM 18902 H1 TIP3 6366 85.048 70.895 26.544 1.00 0.00 WT1 H ATOM 18903 H2 TIP3 6366 85.809 70.968 27.851 1.00 0.00 WT1 H ATOM 18904 OH2 TIP3 6367 41.274 48.731 -7.563 1.00 0.00 WT1 O ATOM 18905 H1 TIP3 6367 41.341 49.650 -7.825 1.00 0.00 WT1 H ATOM 18906 H2 TIP3 6367 41.484 48.732 -6.629 1.00 0.00 WT1 H ATOM 18907 OH2 TIP3 6368 40.634 81.097 -6.374 1.00 0.00 WT1 O ATOM 18908 H1 TIP3 6368 41.492 80.673 -6.343 1.00 0.00 WT1 H ATOM 18909 H2 TIP3 6368 40.492 81.416 -5.483 1.00 0.00 WT1 H ATOM 18910 OH2 TIP3 6369 54.733 18.562 2.842 1.00 0.00 WT1 O ATOM 18911 H1 TIP3 6369 54.161 18.682 3.600 1.00 0.00 WT1 H ATOM 18912 H2 TIP3 6369 55.523 18.157 3.199 1.00 0.00 WT1 H ATOM 18913 OH2 TIP3 6370 23.201 25.386 14.207 1.00 0.00 WT1 O ATOM 18914 H1 TIP3 6370 23.783 25.902 14.764 1.00 0.00 WT1 H ATOM 18915 H2 TIP3 6370 22.442 25.201 14.760 1.00 0.00 WT1 H ATOM 18916 OH2 TIP3 6371 38.947 85.830 41.441 1.00 0.00 WT1 O ATOM 18917 H1 TIP3 6371 39.543 86.064 40.729 1.00 0.00 WT1 H ATOM 18918 H2 TIP3 6371 38.572 84.991 41.175 1.00 0.00 WT1 H ATOM 18919 OH2 TIP3 6372 45.457 13.895 61.904 1.00 0.00 WT1 O ATOM 18920 H1 TIP3 6372 46.126 13.226 61.759 1.00 0.00 WT1 H ATOM 18921 H2 TIP3 6372 44.924 13.878 61.109 1.00 0.00 WT1 H ATOM 18922 OH2 TIP3 6373 28.730 31.695 66.877 1.00 0.00 WT1 O ATOM 18923 H1 TIP3 6373 29.246 30.925 66.635 1.00 0.00 WT1 H ATOM 18924 H2 TIP3 6373 27.855 31.350 67.056 1.00 0.00 WT1 H ATOM 18925 OH2 TIP3 6374 65.984 40.442 5.605 1.00 0.00 WT1 O ATOM 18926 H1 TIP3 6374 65.625 41.190 5.128 1.00 0.00 WT1 H ATOM 18927 H2 TIP3 6374 65.483 39.691 5.286 1.00 0.00 WT1 H ATOM 18928 OH2 TIP3 6375 70.900 48.317 16.694 1.00 0.00 WT1 O ATOM 18929 H1 TIP3 6375 70.269 47.677 17.023 1.00 0.00 WT1 H ATOM 18930 H2 TIP3 6375 70.483 48.686 15.915 1.00 0.00 WT1 H ATOM 18931 OH2 TIP3 6377 43.794 16.185 57.438 1.00 0.00 WT1 O ATOM 18932 H1 TIP3 6377 44.380 16.153 58.194 1.00 0.00 WT1 H ATOM 18933 H2 TIP3 6377 44.314 15.831 56.716 1.00 0.00 WT1 H ATOM 18934 OH2 TIP3 6379 59.164 86.131 49.376 1.00 0.00 WT1 O ATOM 18935 H1 TIP3 6379 58.825 85.289 49.069 1.00 0.00 WT1 H ATOM 18936 H2 TIP3 6379 59.871 85.900 49.978 1.00 0.00 WT1 H ATOM 18937 OH2 TIP3 6380 87.733 25.812 65.727 1.00 0.00 WT1 O ATOM 18938 H1 TIP3 6380 87.955 26.592 65.218 1.00 0.00 WT1 H ATOM 18939 H2 TIP3 6380 86.898 26.026 66.142 1.00 0.00 WT1 H ATOM 18940 OH2 TIP3 6381 69.515 2.255 59.584 1.00 0.00 WT1 O ATOM 18941 H1 TIP3 6381 70.169 2.136 60.273 1.00 0.00 WT1 H ATOM 18942 H2 TIP3 6381 68.769 1.725 59.866 1.00 0.00 WT1 H ATOM 18943 OH2 TIP3 6382 63.884 34.014 49.247 1.00 0.00 WT1 O ATOM 18944 H1 TIP3 6382 63.300 34.489 49.839 1.00 0.00 WT1 H ATOM 18945 H2 TIP3 6382 63.703 34.385 48.383 1.00 0.00 WT1 H ATOM 18946 OH2 TIP3 6383 76.021 46.166 -5.626 1.00 0.00 WT1 O ATOM 18947 H1 TIP3 6383 76.496 46.367 -4.820 1.00 0.00 WT1 H ATOM 18948 H2 TIP3 6383 75.237 45.700 -5.333 1.00 0.00 WT1 H ATOM 18949 OH2 TIP3 6384 82.840 46.208 60.881 1.00 0.00 WT1 O ATOM 18950 H1 TIP3 6384 82.068 45.882 61.345 1.00 0.00 WT1 H ATOM 18951 H2 TIP3 6384 83.120 46.970 61.388 1.00 0.00 WT1 H ATOM 18952 OH2 TIP3 6385 24.438 24.494 36.077 1.00 0.00 WT1 O ATOM 18953 H1 TIP3 6385 24.944 24.868 36.798 1.00 0.00 WT1 H ATOM 18954 H2 TIP3 6385 24.445 25.172 35.401 1.00 0.00 WT1 H ATOM 18955 OH2 TIP3 6386 54.820 83.542 58.803 1.00 0.00 WT1 O ATOM 18956 H1 TIP3 6386 55.576 83.984 58.418 1.00 0.00 WT1 H ATOM 18957 H2 TIP3 6386 54.136 83.612 58.136 1.00 0.00 WT1 H ATOM 18958 OH2 TIP3 6387 59.182 25.874 -12.114 1.00 0.00 WT1 O ATOM 18959 H1 TIP3 6387 58.944 25.536 -12.977 1.00 0.00 WT1 H ATOM 18960 H2 TIP3 6387 58.560 25.462 -11.514 1.00 0.00 WT1 H ATOM 18961 OH2 TIP3 6388 90.835 2.152 -17.664 1.00 0.00 WT1 O ATOM 18962 H1 TIP3 6388 90.679 2.672 -16.875 1.00 0.00 WT1 H ATOM 18963 H2 TIP3 6388 89.992 2.141 -18.116 1.00 0.00 WT1 H ATOM 18964 OH2 TIP3 6389 89.374 48.948 23.252 1.00 0.00 WT1 O ATOM 18965 H1 TIP3 6389 88.887 48.159 23.488 1.00 0.00 WT1 H ATOM 18966 H2 TIP3 6389 88.756 49.468 22.740 1.00 0.00 WT1 H ATOM 18967 OH2 TIP3 6390 31.932 79.413 20.112 1.00 0.00 WT1 O ATOM 18968 H1 TIP3 6390 32.363 79.500 19.262 1.00 0.00 WT1 H ATOM 18969 H2 TIP3 6390 31.490 78.565 20.072 1.00 0.00 WT1 H ATOM 18970 OH2 TIP3 6391 76.695 25.183 8.927 1.00 0.00 WT1 O ATOM 18971 H1 TIP3 6391 76.532 25.024 9.856 1.00 0.00 WT1 H ATOM 18972 H2 TIP3 6391 77.190 26.002 8.906 1.00 0.00 WT1 H ATOM 18973 OH2 TIP3 6392 33.865 38.603 1.637 1.00 0.00 WT1 O ATOM 18974 H1 TIP3 6392 33.638 37.827 2.149 1.00 0.00 WT1 H ATOM 18975 H2 TIP3 6392 34.605 38.326 1.096 1.00 0.00 WT1 H ATOM 18976 OH2 TIP3 6393 75.775 84.419 2.156 1.00 0.00 WT1 O ATOM 18977 H1 TIP3 6393 76.153 85.011 2.805 1.00 0.00 WT1 H ATOM 18978 H2 TIP3 6393 76.463 84.312 1.499 1.00 0.00 WT1 H ATOM 18979 OH2 TIP3 6394 74.238 54.460 -14.399 1.00 0.00 WT1 O ATOM 18980 H1 TIP3 6394 74.519 53.572 -14.177 1.00 0.00 WT1 H ATOM 18981 H2 TIP3 6394 74.831 55.029 -13.908 1.00 0.00 WT1 H ATOM 18982 OH2 TIP3 6395 42.159 31.718 -14.605 1.00 0.00 WT1 O ATOM 18983 H1 TIP3 6395 42.386 31.944 -13.703 1.00 0.00 WT1 H ATOM 18984 H2 TIP3 6395 42.931 31.262 -14.940 1.00 0.00 WT1 H ATOM 18985 OH2 TIP3 6396 42.480 6.250 16.375 1.00 0.00 WT1 O ATOM 18986 H1 TIP3 6396 42.193 5.445 16.806 1.00 0.00 WT1 H ATOM 18987 H2 TIP3 6396 41.962 6.941 16.787 1.00 0.00 WT1 H ATOM 18988 OH2 TIP3 6397 67.993 24.047 28.285 1.00 0.00 WT1 O ATOM 18989 H1 TIP3 6397 67.911 23.551 27.470 1.00 0.00 WT1 H ATOM 18990 H2 TIP3 6397 67.824 24.954 28.031 1.00 0.00 WT1 H ATOM 18991 OH2 TIP3 6400 38.863 90.029 3.312 1.00 0.00 WT1 O ATOM 18992 H1 TIP3 6400 38.729 90.001 2.365 1.00 0.00 WT1 H ATOM 18993 H2 TIP3 6400 39.086 90.942 3.496 1.00 0.00 WT1 H ATOM 18994 OH2 TIP3 6401 38.438 85.123 30.723 1.00 0.00 WT1 O ATOM 18995 H1 TIP3 6401 37.537 84.981 30.432 1.00 0.00 WT1 H ATOM 18996 H2 TIP3 6401 38.952 84.479 30.236 1.00 0.00 WT1 H ATOM 18997 OH2 TIP3 6402 68.902 41.231 5.682 1.00 0.00 WT1 O ATOM 18998 H1 TIP3 6402 68.898 41.686 6.525 1.00 0.00 WT1 H ATOM 18999 H2 TIP3 6402 68.042 41.417 5.306 1.00 0.00 WT1 H ATOM 19000 OH2 TIP3 6403 54.781 50.922 -12.580 1.00 0.00 WT1 O ATOM 19001 H1 TIP3 6403 55.713 50.713 -12.526 1.00 0.00 WT1 H ATOM 19002 H2 TIP3 6403 54.602 51.426 -11.786 1.00 0.00 WT1 H ATOM 19003 OH2 TIP3 6404 52.827 35.510 -18.729 1.00 0.00 WT1 O ATOM 19004 H1 TIP3 6404 53.581 34.936 -18.594 1.00 0.00 WT1 H ATOM 19005 H2 TIP3 6404 53.092 36.090 -19.443 1.00 0.00 WT1 H ATOM 19006 OH2 TIP3 6406 41.433 26.993 36.803 1.00 0.00 WT1 O ATOM 19007 H1 TIP3 6406 41.574 27.878 37.138 1.00 0.00 WT1 H ATOM 19008 H2 TIP3 6406 42.298 26.708 36.507 1.00 0.00 WT1 H ATOM 19009 OH2 TIP3 6407 43.389 39.765 -7.604 1.00 0.00 WT1 O ATOM 19010 H1 TIP3 6407 42.981 40.229 -6.873 1.00 0.00 WT1 H ATOM 19011 H2 TIP3 6407 44.243 39.493 -7.269 1.00 0.00 WT1 H ATOM 19012 OH2 TIP3 6408 22.943 90.038 -14.409 1.00 0.00 WT1 O ATOM 19013 H1 TIP3 6408 23.834 89.948 -14.072 1.00 0.00 WT1 H ATOM 19014 H2 TIP3 6408 22.383 89.928 -13.641 1.00 0.00 WT1 H ATOM 19015 OH2 TIP3 6409 61.460 10.976 53.167 1.00 0.00 WT1 O ATOM 19016 H1 TIP3 6409 62.077 10.567 52.561 1.00 0.00 WT1 H ATOM 19017 H2 TIP3 6409 61.082 10.245 53.656 1.00 0.00 WT1 H ATOM 19018 OH2 TIP3 6410 64.514 19.168 49.371 1.00 0.00 WT1 O ATOM 19019 H1 TIP3 6410 64.734 18.588 50.101 1.00 0.00 WT1 H ATOM 19020 H2 TIP3 6410 63.558 19.212 49.379 1.00 0.00 WT1 H ATOM 19021 OH2 TIP3 6411 56.189 32.685 3.872 1.00 0.00 WT1 O ATOM 19022 H1 TIP3 6411 56.783 32.513 4.602 1.00 0.00 WT1 H ATOM 19023 H2 TIP3 6411 55.398 32.188 4.083 1.00 0.00 WT1 H ATOM 19024 OH2 TIP3 6412 36.240 85.931 57.595 1.00 0.00 WT1 O ATOM 19025 H1 TIP3 6412 36.197 85.033 57.267 1.00 0.00 WT1 H ATOM 19026 H2 TIP3 6412 35.743 86.443 56.957 1.00 0.00 WT1 H ATOM 19027 OH2 TIP3 6413 27.540 60.852 54.842 1.00 0.00 WT1 O ATOM 19028 H1 TIP3 6413 28.061 60.403 55.508 1.00 0.00 WT1 H ATOM 19029 H2 TIP3 6413 28.073 61.606 54.589 1.00 0.00 WT1 H ATOM 19030 OH2 TIP3 6415 70.766 37.665 -15.799 1.00 0.00 WT1 O ATOM 19031 H1 TIP3 6415 71.042 37.037 -15.131 1.00 0.00 WT1 H ATOM 19032 H2 TIP3 6415 71.338 37.488 -16.546 1.00 0.00 WT1 H ATOM 19033 OH2 TIP3 6417 59.030 22.432 53.320 1.00 0.00 WT1 O ATOM 19034 H1 TIP3 6417 59.442 21.767 53.872 1.00 0.00 WT1 H ATOM 19035 H2 TIP3 6417 59.499 22.375 52.487 1.00 0.00 WT1 H ATOM 19036 OH2 TIP3 6418 78.076 53.783 34.978 1.00 0.00 WT1 O ATOM 19037 H1 TIP3 6418 77.878 54.381 35.699 1.00 0.00 WT1 H ATOM 19038 H2 TIP3 6418 77.719 54.216 34.202 1.00 0.00 WT1 H ATOM 19039 OH2 TIP3 6419 72.460 68.097 27.778 1.00 0.00 WT1 O ATOM 19040 H1 TIP3 6419 72.224 67.239 28.131 1.00 0.00 WT1 H ATOM 19041 H2 TIP3 6419 72.039 68.723 28.367 1.00 0.00 WT1 H ATOM 19042 OH2 TIP3 6420 42.641 60.880 64.126 1.00 0.00 WT1 O ATOM 19043 H1 TIP3 6420 41.873 60.429 63.775 1.00 0.00 WT1 H ATOM 19044 H2 TIP3 6420 42.319 61.748 64.369 1.00 0.00 WT1 H ATOM 19045 OH2 TIP3 6421 21.881 10.569 -8.414 1.00 0.00 WT1 O ATOM 19046 H1 TIP3 6421 21.213 10.865 -9.034 1.00 0.00 WT1 H ATOM 19047 H2 TIP3 6421 22.513 11.287 -8.382 1.00 0.00 WT1 H ATOM 19048 OH2 TIP3 6422 80.455 40.430 9.543 1.00 0.00 WT1 O ATOM 19049 H1 TIP3 6422 80.174 40.591 8.643 1.00 0.00 WT1 H ATOM 19050 H2 TIP3 6422 80.052 39.593 9.775 1.00 0.00 WT1 H ATOM 19051 OH2 TIP3 6424 34.433 31.360 26.308 1.00 0.00 WT1 O ATOM 19052 H1 TIP3 6424 33.935 31.594 27.091 1.00 0.00 WT1 H ATOM 19053 H2 TIP3 6424 35.102 30.752 26.621 1.00 0.00 WT1 H ATOM 19054 OH2 TIP3 6425 86.014 50.313 39.040 1.00 0.00 WT1 O ATOM 19055 H1 TIP3 6425 85.124 50.071 38.783 1.00 0.00 WT1 H ATOM 19056 H2 TIP3 6425 86.408 50.662 38.240 1.00 0.00 WT1 H ATOM 19057 OH2 TIP3 6427 35.852 18.022 44.484 1.00 0.00 WT1 O ATOM 19058 H1 TIP3 6427 34.949 18.276 44.672 1.00 0.00 WT1 H ATOM 19059 H2 TIP3 6427 35.772 17.246 43.929 1.00 0.00 WT1 H ATOM 19060 OH2 TIP3 6428 67.774 66.008 -3.402 1.00 0.00 WT1 O ATOM 19061 H1 TIP3 6428 67.260 65.342 -3.859 1.00 0.00 WT1 H ATOM 19062 H2 TIP3 6428 68.069 65.576 -2.601 1.00 0.00 WT1 H ATOM 19063 OH2 TIP3 6429 59.384 47.107 -16.644 1.00 0.00 WT1 O ATOM 19064 H1 TIP3 6429 60.041 47.798 -16.562 1.00 0.00 WT1 H ATOM 19065 H2 TIP3 6429 59.437 46.627 -15.818 1.00 0.00 WT1 H ATOM 19066 OH2 TIP3 6430 40.394 30.337 -17.791 1.00 0.00 WT1 O ATOM 19067 H1 TIP3 6430 39.575 30.745 -17.510 1.00 0.00 WT1 H ATOM 19068 H2 TIP3 6430 40.144 29.449 -18.048 1.00 0.00 WT1 H ATOM 19069 OH2 TIP3 6431 30.999 51.757 -5.425 1.00 0.00 WT1 O ATOM 19070 H1 TIP3 6431 31.845 51.722 -5.871 1.00 0.00 WT1 H ATOM 19071 H2 TIP3 6431 31.002 50.994 -4.847 1.00 0.00 WT1 H ATOM 19072 OH2 TIP3 6432 55.806 59.583 48.960 1.00 0.00 WT1 O ATOM 19073 H1 TIP3 6432 55.856 58.630 49.020 1.00 0.00 WT1 H ATOM 19074 H2 TIP3 6432 56.717 59.874 48.984 1.00 0.00 WT1 H ATOM 19075 OH2 TIP3 6433 68.415 65.148 22.501 1.00 0.00 WT1 O ATOM 19076 H1 TIP3 6433 68.363 65.109 21.546 1.00 0.00 WT1 H ATOM 19077 H2 TIP3 6433 67.526 65.368 22.780 1.00 0.00 WT1 H ATOM 19078 OH2 TIP3 6434 67.880 8.557 35.060 1.00 0.00 WT1 O ATOM 19079 H1 TIP3 6434 68.219 9.413 34.798 1.00 0.00 WT1 H ATOM 19080 H2 TIP3 6434 68.599 8.151 35.544 1.00 0.00 WT1 H ATOM 19081 OH2 TIP3 6435 67.641 19.095 31.364 1.00 0.00 WT1 O ATOM 19082 H1 TIP3 6435 68.495 19.454 31.607 1.00 0.00 WT1 H ATOM 19083 H2 TIP3 6435 67.243 19.771 30.816 1.00 0.00 WT1 H ATOM 19084 OH2 TIP3 6436 33.734 39.668 -8.059 1.00 0.00 WT1 O ATOM 19085 H1 TIP3 6436 34.577 39.680 -7.607 1.00 0.00 WT1 H ATOM 19086 H2 TIP3 6436 33.122 39.310 -7.416 1.00 0.00 WT1 H ATOM 19087 OH2 TIP3 6437 77.341 56.026 36.552 1.00 0.00 WT1 O ATOM 19088 H1 TIP3 6437 76.438 56.203 36.289 1.00 0.00 WT1 H ATOM 19089 H2 TIP3 6437 77.673 56.870 36.855 1.00 0.00 WT1 H ATOM 19090 OH2 TIP3 6438 32.825 18.528 -7.833 1.00 0.00 WT1 O ATOM 19091 H1 TIP3 6438 32.044 19.071 -7.725 1.00 0.00 WT1 H ATOM 19092 H2 TIP3 6438 33.284 18.915 -8.579 1.00 0.00 WT1 H ATOM 19093 OH2 TIP3 6439 84.409 89.162 54.383 1.00 0.00 WT1 O ATOM 19094 H1 TIP3 6439 83.947 88.415 54.001 1.00 0.00 WT1 H ATOM 19095 H2 TIP3 6439 83.772 89.562 54.975 1.00 0.00 WT1 H ATOM 19096 OH2 TIP3 6440 60.137 31.915 2.347 1.00 0.00 WT1 O ATOM 19097 H1 TIP3 6440 60.416 32.386 3.133 1.00 0.00 WT1 H ATOM 19098 H2 TIP3 6440 59.975 32.602 1.701 1.00 0.00 WT1 H ATOM 19099 OH2 TIP3 6441 72.276 37.724 24.011 1.00 0.00 WT1 O ATOM 19100 H1 TIP3 6441 72.772 36.951 24.279 1.00 0.00 WT1 H ATOM 19101 H2 TIP3 6441 72.249 37.673 23.056 1.00 0.00 WT1 H ATOM 19102 OH2 TIP3 6442 39.870 47.020 30.209 1.00 0.00 WT1 O ATOM 19103 H1 TIP3 6442 39.369 47.283 29.436 1.00 0.00 WT1 H ATOM 19104 H2 TIP3 6442 40.376 46.261 29.919 1.00 0.00 WT1 H ATOM 19105 OH2 TIP3 6443 46.755 44.519 27.347 1.00 0.00 WT1 O ATOM 19106 H1 TIP3 6443 47.252 44.180 26.602 1.00 0.00 WT1 H ATOM 19107 H2 TIP3 6443 45.977 44.916 26.955 1.00 0.00 WT1 H ATOM 19108 OH2 TIP3 6444 56.126 55.805 -7.831 1.00 0.00 WT1 O ATOM 19109 H1 TIP3 6444 55.457 56.470 -7.996 1.00 0.00 WT1 H ATOM 19110 H2 TIP3 6444 55.809 55.333 -7.061 1.00 0.00 WT1 H ATOM 19111 OH2 TIP3 6446 68.859 45.926 49.733 1.00 0.00 WT1 O ATOM 19112 H1 TIP3 6446 69.477 45.694 49.039 1.00 0.00 WT1 H ATOM 19113 H2 TIP3 6446 68.438 46.727 49.421 1.00 0.00 WT1 H ATOM 19114 OH2 TIP3 6448 45.763 74.332 63.747 1.00 0.00 WT1 O ATOM 19115 H1 TIP3 6448 44.912 73.894 63.764 1.00 0.00 WT1 H ATOM 19116 H2 TIP3 6448 46.341 73.717 63.295 1.00 0.00 WT1 H ATOM 19117 OH2 TIP3 6449 49.985 27.895 -1.060 1.00 0.00 WT1 O ATOM 19118 H1 TIP3 6449 50.335 28.759 -0.844 1.00 0.00 WT1 H ATOM 19119 H2 TIP3 6449 49.311 27.736 -0.399 1.00 0.00 WT1 H ATOM 19120 OH2 TIP3 6450 44.513 56.765 4.188 1.00 0.00 WT1 O ATOM 19121 H1 TIP3 6450 44.803 57.532 4.683 1.00 0.00 WT1 H ATOM 19122 H2 TIP3 6450 44.550 56.045 4.818 1.00 0.00 WT1 H ATOM 19123 OH2 TIP3 6451 24.222 21.025 48.565 1.00 0.00 WT1 O ATOM 19124 H1 TIP3 6451 24.817 20.859 47.834 1.00 0.00 WT1 H ATOM 19125 H2 TIP3 6451 24.521 21.856 48.934 1.00 0.00 WT1 H ATOM 19126 OH2 TIP3 6452 50.504 50.323 43.095 1.00 0.00 WT1 O ATOM 19127 H1 TIP3 6452 50.420 49.407 43.362 1.00 0.00 WT1 H ATOM 19128 H2 TIP3 6452 51.131 50.306 42.372 1.00 0.00 WT1 H ATOM 19129 OH2 TIP3 6453 45.088 57.079 -3.277 1.00 0.00 WT1 O ATOM 19130 H1 TIP3 6453 45.502 56.957 -2.423 1.00 0.00 WT1 H ATOM 19131 H2 TIP3 6453 45.741 56.775 -3.907 1.00 0.00 WT1 H ATOM 19132 OH2 TIP3 6454 29.215 87.812 28.377 1.00 0.00 WT1 O ATOM 19133 H1 TIP3 6454 29.223 88.721 28.076 1.00 0.00 WT1 H ATOM 19134 H2 TIP3 6454 29.787 87.352 27.763 1.00 0.00 WT1 H ATOM 19135 OH2 TIP3 6455 43.521 0.499 64.115 1.00 0.00 WT1 O ATOM 19136 H1 TIP3 6455 43.536 0.097 63.247 1.00 0.00 WT1 H ATOM 19137 H2 TIP3 6455 44.417 0.806 64.254 1.00 0.00 WT1 H ATOM 19138 OH2 TIP3 6456 30.047 26.217 34.259 1.00 0.00 WT1 O ATOM 19139 H1 TIP3 6456 30.582 25.508 33.905 1.00 0.00 WT1 H ATOM 19140 H2 TIP3 6456 29.637 26.615 33.491 1.00 0.00 WT1 H ATOM 19141 OH2 TIP3 6457 79.589 40.660 35.499 1.00 0.00 WT1 O ATOM 19142 H1 TIP3 6457 79.980 40.194 34.759 1.00 0.00 WT1 H ATOM 19143 H2 TIP3 6457 78.679 40.805 35.237 1.00 0.00 WT1 H ATOM 19144 OH2 TIP3 6461 73.528 76.790 50.765 1.00 0.00 WT1 O ATOM 19145 H1 TIP3 6461 73.140 76.266 50.064 1.00 0.00 WT1 H ATOM 19146 H2 TIP3 6461 73.590 77.672 50.400 1.00 0.00 WT1 H ATOM 19147 OH2 TIP3 6462 74.424 62.013 51.803 1.00 0.00 WT1 O ATOM 19148 H1 TIP3 6462 74.325 62.891 51.435 1.00 0.00 WT1 H ATOM 19149 H2 TIP3 6462 74.003 62.063 52.661 1.00 0.00 WT1 H ATOM 19150 OH2 TIP3 6464 29.623 14.151 4.944 1.00 0.00 WT1 O ATOM 19151 H1 TIP3 6464 29.788 14.665 4.154 1.00 0.00 WT1 H ATOM 19152 H2 TIP3 6464 30.297 14.435 5.561 1.00 0.00 WT1 H ATOM 19153 OH2 TIP3 6465 71.576 60.913 24.506 1.00 0.00 WT1 O ATOM 19154 H1 TIP3 6465 70.649 60.941 24.742 1.00 0.00 WT1 H ATOM 19155 H2 TIP3 6465 72.017 60.605 25.298 1.00 0.00 WT1 H ATOM 19156 OH2 TIP3 6467 40.632 50.888 -17.547 1.00 0.00 WT1 O ATOM 19157 H1 TIP3 6467 40.039 51.017 -18.287 1.00 0.00 WT1 H ATOM 19158 H2 TIP3 6467 41.495 50.782 -17.947 1.00 0.00 WT1 H ATOM 19159 OH2 TIP3 6468 76.873 96.389 48.300 1.00 0.00 WT1 O ATOM 19160 H1 TIP3 6468 76.819 95.452 48.115 1.00 0.00 WT1 H ATOM 19161 H2 TIP3 6468 77.799 96.604 48.185 1.00 0.00 WT1 H ATOM 19162 OH2 TIP3 6469 70.635 17.904 -0.645 1.00 0.00 WT1 O ATOM 19163 H1 TIP3 6469 71.408 17.440 -0.322 1.00 0.00 WT1 H ATOM 19164 H2 TIP3 6469 70.498 18.610 -0.013 1.00 0.00 WT1 H ATOM 19165 OH2 TIP3 6470 69.664 45.494 -7.936 1.00 0.00 WT1 O ATOM 19166 H1 TIP3 6470 69.724 45.226 -7.019 1.00 0.00 WT1 H ATOM 19167 H2 TIP3 6470 69.079 46.252 -7.927 1.00 0.00 WT1 H ATOM 19168 OH2 TIP3 6471 40.502 30.633 11.662 1.00 0.00 WT1 O ATOM 19169 H1 TIP3 6471 40.593 29.843 12.195 1.00 0.00 WT1 H ATOM 19170 H2 TIP3 6471 40.782 30.366 10.787 1.00 0.00 WT1 H ATOM 19171 OH2 TIP3 6472 83.139 70.089 2.382 1.00 0.00 WT1 O ATOM 19172 H1 TIP3 6472 82.833 70.994 2.317 1.00 0.00 WT1 H ATOM 19173 H2 TIP3 6472 84.027 70.109 2.025 1.00 0.00 WT1 H ATOM 19174 OH2 TIP3 6474 29.860 29.590 -10.419 1.00 0.00 WT1 O ATOM 19175 H1 TIP3 6474 30.469 30.160 -9.949 1.00 0.00 WT1 H ATOM 19176 H2 TIP3 6474 29.417 30.171 -11.038 1.00 0.00 WT1 H ATOM 19177 OH2 TIP3 6475 84.627 9.643 52.582 1.00 0.00 WT1 O ATOM 19178 H1 TIP3 6475 83.781 9.294 52.299 1.00 0.00 WT1 H ATOM 19179 H2 TIP3 6475 84.456 10.566 52.768 1.00 0.00 WT1 H ATOM 19180 OH2 TIP3 6476 54.936 54.891 50.613 1.00 0.00 WT1 O ATOM 19181 H1 TIP3 6476 54.470 55.412 49.959 1.00 0.00 WT1 H ATOM 19182 H2 TIP3 6476 54.879 53.992 50.289 1.00 0.00 WT1 H ATOM 19183 OH2 TIP3 6478 20.373 54.818 30.663 1.00 0.00 WT1 O ATOM 19184 H1 TIP3 6478 19.822 55.591 30.784 1.00 0.00 WT1 H ATOM 19185 H2 TIP3 6478 21.074 55.112 30.081 1.00 0.00 WT1 H ATOM 19186 OH2 TIP3 6479 28.264 34.839 65.404 1.00 0.00 WT1 O ATOM 19187 H1 TIP3 6479 28.804 34.511 66.123 1.00 0.00 WT1 H ATOM 19188 H2 TIP3 6479 28.838 35.438 64.927 1.00 0.00 WT1 H ATOM 19189 OH2 TIP3 6481 24.008 25.378 39.420 1.00 0.00 WT1 O ATOM 19190 H1 TIP3 6481 24.078 24.489 39.766 1.00 0.00 WT1 H ATOM 19191 H2 TIP3 6481 23.066 25.529 39.333 1.00 0.00 WT1 H ATOM 19192 OH2 TIP3 6482 64.157 87.739 22.497 1.00 0.00 WT1 O ATOM 19193 H1 TIP3 6482 64.191 87.732 23.454 1.00 0.00 WT1 H ATOM 19194 H2 TIP3 6482 63.421 87.168 22.279 1.00 0.00 WT1 H ATOM 19195 OH2 TIP3 6483 22.844 40.716 -4.667 1.00 0.00 WT1 O ATOM 19196 H1 TIP3 6483 23.781 40.893 -4.582 1.00 0.00 WT1 H ATOM 19197 H2 TIP3 6483 22.445 41.581 -4.767 1.00 0.00 WT1 H ATOM 19198 OH2 TIP3 6486 31.126 19.312 43.168 1.00 0.00 WT1 O ATOM 19199 H1 TIP3 6486 31.754 18.765 42.697 1.00 0.00 WT1 H ATOM 19200 H2 TIP3 6486 30.916 20.018 42.557 1.00 0.00 WT1 H ATOM 19201 OH2 TIP3 6488 89.904 45.996 56.494 1.00 0.00 WT1 O ATOM 19202 H1 TIP3 6488 89.342 46.339 57.189 1.00 0.00 WT1 H ATOM 19203 H2 TIP3 6488 90.596 45.524 56.956 1.00 0.00 WT1 H ATOM 19204 OH2 TIP3 6489 82.948 28.432 -16.937 1.00 0.00 WT1 O ATOM 19205 H1 TIP3 6489 82.438 29.109 -16.493 1.00 0.00 WT1 H ATOM 19206 H2 TIP3 6489 83.770 28.864 -17.170 1.00 0.00 WT1 H ATOM 19207 OH2 TIP3 6490 49.629 59.283 11.795 1.00 0.00 WT1 O ATOM 19208 H1 TIP3 6490 49.341 58.562 12.355 1.00 0.00 WT1 H ATOM 19209 H2 TIP3 6490 50.321 59.714 12.296 1.00 0.00 WT1 H ATOM 19210 OH2 TIP3 6491 46.437 33.112 4.335 1.00 0.00 WT1 O ATOM 19211 H1 TIP3 6491 47.046 32.918 5.048 1.00 0.00 WT1 H ATOM 19212 H2 TIP3 6491 45.651 33.439 4.774 1.00 0.00 WT1 H ATOM 19213 OH2 TIP3 6492 53.131 83.929 36.728 1.00 0.00 WT1 O ATOM 19214 H1 TIP3 6492 53.336 84.622 36.101 1.00 0.00 WT1 H ATOM 19215 H2 TIP3 6492 53.110 83.129 36.203 1.00 0.00 WT1 H ATOM 19216 OH2 TIP3 6493 89.236 9.656 60.684 1.00 0.00 WT1 O ATOM 19217 H1 TIP3 6493 88.916 10.397 61.200 1.00 0.00 WT1 H ATOM 19218 H2 TIP3 6493 90.001 9.999 60.221 1.00 0.00 WT1 H ATOM 19219 OH2 TIP3 6494 60.693 41.303 62.064 1.00 0.00 WT1 O ATOM 19220 H1 TIP3 6494 60.075 41.369 61.336 1.00 0.00 WT1 H ATOM 19221 H2 TIP3 6494 61.541 41.526 61.681 1.00 0.00 WT1 H ATOM 19222 OH2 TIP3 6495 41.375 34.492 5.712 1.00 0.00 WT1 O ATOM 19223 H1 TIP3 6495 42.026 34.137 6.317 1.00 0.00 WT1 H ATOM 19224 H2 TIP3 6495 41.751 35.320 5.413 1.00 0.00 WT1 H ATOM 19225 OH2 TIP3 6496 62.889 90.304 22.469 1.00 0.00 WT1 O ATOM 19226 H1 TIP3 6496 63.721 90.589 22.847 1.00 0.00 WT1 H ATOM 19227 H2 TIP3 6496 62.526 89.700 23.116 1.00 0.00 WT1 H ATOM 19228 OH2 TIP3 6497 57.536 63.933 25.072 1.00 0.00 WT1 O ATOM 19229 H1 TIP3 6497 57.409 64.601 24.399 1.00 0.00 WT1 H ATOM 19230 H2 TIP3 6497 57.875 63.174 24.597 1.00 0.00 WT1 H ATOM 19231 OH2 TIP3 6499 68.714 60.162 -18.236 1.00 0.00 WT1 O ATOM 19232 H1 TIP3 6499 67.826 60.135 -18.593 1.00 0.00 WT1 H ATOM 19233 H2 TIP3 6499 69.265 59.812 -18.935 1.00 0.00 WT1 H ATOM 19234 OH2 TIP3 6500 77.858 41.711 22.589 1.00 0.00 WT1 O ATOM 19235 H1 TIP3 6500 78.034 42.299 23.323 1.00 0.00 WT1 H ATOM 19236 H2 TIP3 6500 77.090 42.088 22.158 1.00 0.00 WT1 H ATOM 19237 OH2 TIP3 6501 63.489 57.495 21.286 1.00 0.00 WT1 O ATOM 19238 H1 TIP3 6501 62.906 57.590 20.532 1.00 0.00 WT1 H ATOM 19239 H2 TIP3 6501 63.013 56.921 21.886 1.00 0.00 WT1 H ATOM 19240 OH2 TIP3 6503 64.787 85.070 7.095 1.00 0.00 WT1 O ATOM 19241 H1 TIP3 6503 64.540 85.061 8.020 1.00 0.00 WT1 H ATOM 19242 H2 TIP3 6503 63.964 85.208 6.627 1.00 0.00 WT1 H ATOM 19243 OH2 TIP3 6506 65.946 77.080 15.970 1.00 0.00 WT1 O ATOM 19244 H1 TIP3 6506 66.490 77.760 16.369 1.00 0.00 WT1 H ATOM 19245 H2 TIP3 6506 65.334 77.560 15.413 1.00 0.00 WT1 H ATOM 19246 OH2 TIP3 6508 70.695 40.626 35.106 1.00 0.00 WT1 O ATOM 19247 H1 TIP3 6508 70.982 41.532 34.984 1.00 0.00 WT1 H ATOM 19248 H2 TIP3 6508 70.189 40.428 34.318 1.00 0.00 WT1 H ATOM 19249 OH2 TIP3 6509 68.592 59.506 30.008 1.00 0.00 WT1 O ATOM 19250 H1 TIP3 6509 67.965 58.915 29.592 1.00 0.00 WT1 H ATOM 19251 H2 TIP3 6509 68.531 60.316 29.502 1.00 0.00 WT1 H ATOM 19252 OH2 TIP3 6510 47.868 56.766 54.936 1.00 0.00 WT1 O ATOM 19253 H1 TIP3 6510 47.280 56.447 54.251 1.00 0.00 WT1 H ATOM 19254 H2 TIP3 6510 47.804 57.720 54.882 1.00 0.00 WT1 H ATOM 19255 OH2 TIP3 6511 68.730 93.880 12.401 1.00 0.00 WT1 O ATOM 19256 H1 TIP3 6511 68.224 93.711 13.195 1.00 0.00 WT1 H ATOM 19257 H2 TIP3 6511 69.166 93.049 12.213 1.00 0.00 WT1 H ATOM 19258 OH2 TIP3 6512 67.255 18.090 -13.410 1.00 0.00 WT1 O ATOM 19259 H1 TIP3 6512 67.129 19.021 -13.594 1.00 0.00 WT1 H ATOM 19260 H2 TIP3 6512 66.524 17.857 -12.838 1.00 0.00 WT1 H ATOM 19261 OH2 TIP3 6513 87.365 55.467 -6.494 1.00 0.00 WT1 O ATOM 19262 H1 TIP3 6513 87.320 56.335 -6.094 1.00 0.00 WT1 H ATOM 19263 H2 TIP3 6513 86.647 54.979 -6.091 1.00 0.00 WT1 H ATOM 19264 OH2 TIP3 6514 34.226 63.253 51.005 1.00 0.00 WT1 O ATOM 19265 H1 TIP3 6514 35.074 63.242 50.562 1.00 0.00 WT1 H ATOM 19266 H2 TIP3 6514 34.359 63.821 51.764 1.00 0.00 WT1 H ATOM 19267 OH2 TIP3 6515 84.827 70.036 24.175 1.00 0.00 WT1 O ATOM 19268 H1 TIP3 6515 84.590 69.109 24.201 1.00 0.00 WT1 H ATOM 19269 H2 TIP3 6515 85.331 70.132 23.366 1.00 0.00 WT1 H ATOM 19270 OH2 TIP3 6516 57.984 65.349 52.734 1.00 0.00 WT1 O ATOM 19271 H1 TIP3 6516 57.396 66.023 52.393 1.00 0.00 WT1 H ATOM 19272 H2 TIP3 6516 57.983 64.667 52.062 1.00 0.00 WT1 H ATOM 19273 OH2 TIP3 6518 47.696 15.135 33.025 1.00 0.00 WT1 O ATOM 19274 H1 TIP3 6518 47.692 14.804 32.127 1.00 0.00 WT1 H ATOM 19275 H2 TIP3 6518 46.978 14.670 33.456 1.00 0.00 WT1 H ATOM 19276 OH2 TIP3 6519 40.807 38.488 6.850 1.00 0.00 WT1 O ATOM 19277 H1 TIP3 6519 40.169 38.750 7.513 1.00 0.00 WT1 H ATOM 19278 H2 TIP3 6519 41.539 38.128 7.350 1.00 0.00 WT1 H ATOM 19279 OH2 TIP3 6521 83.270 37.016 12.039 1.00 0.00 WT1 O ATOM 19280 H1 TIP3 6521 83.621 37.580 12.729 1.00 0.00 WT1 H ATOM 19281 H2 TIP3 6521 83.321 36.132 12.403 1.00 0.00 WT1 H ATOM 19282 OH2 TIP3 6522 69.106 55.887 53.345 1.00 0.00 WT1 O ATOM 19283 H1 TIP3 6522 68.684 55.290 52.727 1.00 0.00 WT1 H ATOM 19284 H2 TIP3 6522 68.393 56.436 53.673 1.00 0.00 WT1 H ATOM 19285 OH2 TIP3 6524 77.889 44.284 -1.140 1.00 0.00 WT1 O ATOM 19286 H1 TIP3 6524 77.084 43.794 -1.309 1.00 0.00 WT1 H ATOM 19287 H2 TIP3 6524 77.686 44.824 -0.376 1.00 0.00 WT1 H ATOM 19288 OH2 TIP3 6527 44.479 57.181 62.298 1.00 0.00 WT1 O ATOM 19289 H1 TIP3 6527 44.735 57.703 61.537 1.00 0.00 WT1 H ATOM 19290 H2 TIP3 6527 45.268 56.689 62.527 1.00 0.00 WT1 H ATOM 19291 OH2 TIP3 6530 50.711 31.754 55.527 1.00 0.00 WT1 O ATOM 19292 H1 TIP3 6530 49.958 31.325 55.932 1.00 0.00 WT1 H ATOM 19293 H2 TIP3 6530 50.860 31.264 54.718 1.00 0.00 WT1 H ATOM 19294 OH2 TIP3 6531 28.905 90.790 23.458 1.00 0.00 WT1 O ATOM 19295 H1 TIP3 6531 27.955 90.709 23.541 1.00 0.00 WT1 H ATOM 19296 H2 TIP3 6531 29.256 90.165 24.092 1.00 0.00 WT1 H ATOM 19297 OH2 TIP3 6532 43.200 54.719 -9.696 1.00 0.00 WT1 O ATOM 19298 H1 TIP3 6532 43.613 54.329 -10.466 1.00 0.00 WT1 H ATOM 19299 H2 TIP3 6532 42.638 55.409 -10.049 1.00 0.00 WT1 H ATOM 19300 OH2 TIP3 6533 38.751 77.223 -4.316 1.00 0.00 WT1 O ATOM 19301 H1 TIP3 6533 38.965 76.394 -3.889 1.00 0.00 WT1 H ATOM 19302 H2 TIP3 6533 39.573 77.714 -4.314 1.00 0.00 WT1 H ATOM 19303 OH2 TIP3 6534 45.735 59.661 14.840 1.00 0.00 WT1 O ATOM 19304 H1 TIP3 6534 45.299 60.462 15.130 1.00 0.00 WT1 H ATOM 19305 H2 TIP3 6534 45.916 59.180 15.648 1.00 0.00 WT1 H ATOM 19306 OH2 TIP3 6535 26.369 45.524 24.335 1.00 0.00 WT1 O ATOM 19307 H1 TIP3 6535 26.723 45.460 23.448 1.00 0.00 WT1 H ATOM 19308 H2 TIP3 6535 25.425 45.406 24.226 1.00 0.00 WT1 H ATOM 19309 OH2 TIP3 6536 75.815 14.421 -15.003 1.00 0.00 WT1 O ATOM 19310 H1 TIP3 6536 76.074 13.514 -14.836 1.00 0.00 WT1 H ATOM 19311 H2 TIP3 6536 75.852 14.843 -14.145 1.00 0.00 WT1 H ATOM 19312 OH2 TIP3 6537 45.774 72.217 52.445 1.00 0.00 WT1 O ATOM 19313 H1 TIP3 6537 45.123 72.501 51.803 1.00 0.00 WT1 H ATOM 19314 H2 TIP3 6537 45.685 72.838 53.168 1.00 0.00 WT1 H ATOM 19315 OH2 TIP3 6540 25.628 40.363 17.234 1.00 0.00 WT1 O ATOM 19316 H1 TIP3 6540 25.245 40.981 17.857 1.00 0.00 WT1 H ATOM 19317 H2 TIP3 6540 26.261 40.883 16.738 1.00 0.00 WT1 H ATOM 19318 OH2 TIP3 6541 56.402 48.946 24.280 1.00 0.00 WT1 O ATOM 19319 H1 TIP3 6541 55.822 48.620 24.968 1.00 0.00 WT1 H ATOM 19320 H2 TIP3 6541 55.957 48.720 23.463 1.00 0.00 WT1 H ATOM 19321 OH2 TIP3 6543 81.878 38.816 49.284 1.00 0.00 WT1 O ATOM 19322 H1 TIP3 6543 81.946 39.269 50.124 1.00 0.00 WT1 H ATOM 19323 H2 TIP3 6543 82.662 39.082 48.803 1.00 0.00 WT1 H ATOM 19324 OH2 TIP3 6544 66.796 64.580 10.261 1.00 0.00 WT1 O ATOM 19325 H1 TIP3 6544 66.849 63.787 10.794 1.00 0.00 WT1 H ATOM 19326 H2 TIP3 6544 66.168 64.365 9.571 1.00 0.00 WT1 H ATOM 19327 OH2 TIP3 6546 79.833 74.865 24.470 1.00 0.00 WT1 O ATOM 19328 H1 TIP3 6546 79.213 74.421 23.891 1.00 0.00 WT1 H ATOM 19329 H2 TIP3 6546 79.839 74.335 25.267 1.00 0.00 WT1 H ATOM 19330 OH2 TIP3 6547 35.737 40.690 42.686 1.00 0.00 WT1 O ATOM 19331 H1 TIP3 6547 35.314 41.101 43.441 1.00 0.00 WT1 H ATOM 19332 H2 TIP3 6547 35.051 40.651 42.019 1.00 0.00 WT1 H ATOM 19333 OH2 TIP3 6548 64.969 88.189 18.895 1.00 0.00 WT1 O ATOM 19334 H1 TIP3 6548 65.872 87.900 18.765 1.00 0.00 WT1 H ATOM 19335 H2 TIP3 6548 64.445 87.395 18.790 1.00 0.00 WT1 H ATOM 19336 OH2 TIP3 6549 58.551 41.379 -18.167 1.00 0.00 WT1 O ATOM 19337 H1 TIP3 6549 59.469 41.478 -18.420 1.00 0.00 WT1 H ATOM 19338 H2 TIP3 6549 58.435 41.992 -17.441 1.00 0.00 WT1 H ATOM 19339 OH2 TIP3 6551 63.022 27.385 28.310 1.00 0.00 WT1 O ATOM 19340 H1 TIP3 6551 62.164 27.345 27.887 1.00 0.00 WT1 H ATOM 19341 H2 TIP3 6551 63.429 28.174 27.952 1.00 0.00 WT1 H ATOM 19342 OH2 TIP3 6552 82.298 44.809 1.804 1.00 0.00 WT1 O ATOM 19343 H1 TIP3 6552 82.409 45.640 1.344 1.00 0.00 WT1 H ATOM 19344 H2 TIP3 6552 82.568 44.994 2.704 1.00 0.00 WT1 H ATOM 19345 OH2 TIP3 6553 39.587 56.151 29.114 1.00 0.00 WT1 O ATOM 19346 H1 TIP3 6553 40.256 56.437 28.492 1.00 0.00 WT1 H ATOM 19347 H2 TIP3 6553 39.507 56.879 29.731 1.00 0.00 WT1 H ATOM 19348 OH2 TIP3 6555 51.615 5.243 56.466 1.00 0.00 WT1 O ATOM 19349 H1 TIP3 6555 50.865 4.789 56.849 1.00 0.00 WT1 H ATOM 19350 H2 TIP3 6555 52.287 5.215 57.147 1.00 0.00 WT1 H ATOM 19351 OH2 TIP3 6556 58.671 16.966 49.807 1.00 0.00 WT1 O ATOM 19352 H1 TIP3 6556 59.393 16.775 50.406 1.00 0.00 WT1 H ATOM 19353 H2 TIP3 6556 58.869 17.837 49.463 1.00 0.00 WT1 H ATOM 19354 OH2 TIP3 6558 34.365 64.819 -16.120 1.00 0.00 WT1 O ATOM 19355 H1 TIP3 6558 34.516 64.274 -15.348 1.00 0.00 WT1 H ATOM 19356 H2 TIP3 6558 35.235 64.942 -16.501 1.00 0.00 WT1 H ATOM 19357 OH2 TIP3 6559 28.395 54.935 30.234 1.00 0.00 WT1 O ATOM 19358 H1 TIP3 6559 29.326 54.762 30.375 1.00 0.00 WT1 H ATOM 19359 H2 TIP3 6559 28.189 54.485 29.415 1.00 0.00 WT1 H ATOM 19360 OH2 TIP3 6560 27.483 83.161 13.461 1.00 0.00 WT1 O ATOM 19361 H1 TIP3 6560 28.040 83.889 13.186 1.00 0.00 WT1 H ATOM 19362 H2 TIP3 6560 27.832 82.901 14.314 1.00 0.00 WT1 H ATOM 19363 OH2 TIP3 6561 23.182 58.892 52.137 1.00 0.00 WT1 O ATOM 19364 H1 TIP3 6561 24.005 59.086 52.584 1.00 0.00 WT1 H ATOM 19365 H2 TIP3 6561 22.611 59.629 52.354 1.00 0.00 WT1 H ATOM 19366 OH2 TIP3 6564 69.925 84.635 18.971 1.00 0.00 WT1 O ATOM 19367 H1 TIP3 6564 69.037 84.379 19.219 1.00 0.00 WT1 H ATOM 19368 H2 TIP3 6564 69.950 85.581 19.112 1.00 0.00 WT1 H ATOM 19369 OH2 TIP3 6565 52.179 51.560 17.071 1.00 0.00 WT1 O ATOM 19370 H1 TIP3 6565 51.838 50.735 17.418 1.00 0.00 WT1 H ATOM 19371 H2 TIP3 6565 51.968 51.533 16.138 1.00 0.00 WT1 H ATOM 19372 OH2 TIP3 6566 53.623 70.954 10.534 1.00 0.00 WT1 O ATOM 19373 H1 TIP3 6566 53.776 71.198 11.447 1.00 0.00 WT1 H ATOM 19374 H2 TIP3 6566 54.195 70.200 10.388 1.00 0.00 WT1 H ATOM 19375 OH2 TIP3 6569 77.800 69.308 38.500 1.00 0.00 WT1 O ATOM 19376 H1 TIP3 6569 76.959 69.179 38.063 1.00 0.00 WT1 H ATOM 19377 H2 TIP3 6569 77.920 70.258 38.514 1.00 0.00 WT1 H ATOM 19378 OH2 TIP3 6570 55.936 39.782 65.606 1.00 0.00 WT1 O ATOM 19379 H1 TIP3 6570 55.245 40.363 65.921 1.00 0.00 WT1 H ATOM 19380 H2 TIP3 6570 55.476 38.988 65.332 1.00 0.00 WT1 H ATOM 19381 OH2 TIP3 6571 85.054 24.474 62.751 1.00 0.00 WT1 O ATOM 19382 H1 TIP3 6571 85.218 24.113 61.879 1.00 0.00 WT1 H ATOM 19383 H2 TIP3 6571 85.811 24.203 63.269 1.00 0.00 WT1 H ATOM 19384 OH2 TIP3 6573 88.663 46.556 5.517 1.00 0.00 WT1 O ATOM 19385 H1 TIP3 6573 89.272 46.556 4.779 1.00 0.00 WT1 H ATOM 19386 H2 TIP3 6573 88.927 47.308 6.047 1.00 0.00 WT1 H ATOM 19387 OH2 TIP3 6574 86.832 79.952 -1.656 1.00 0.00 WT1 O ATOM 19388 H1 TIP3 6574 86.759 79.793 -0.715 1.00 0.00 WT1 H ATOM 19389 H2 TIP3 6574 86.366 79.220 -2.060 1.00 0.00 WT1 H ATOM 19390 OH2 TIP3 6575 41.073 79.273 53.922 1.00 0.00 WT1 O ATOM 19391 H1 TIP3 6575 41.530 78.437 53.825 1.00 0.00 WT1 H ATOM 19392 H2 TIP3 6575 40.282 79.177 53.392 1.00 0.00 WT1 H ATOM 19393 OH2 TIP3 6576 32.849 44.269 -0.617 1.00 0.00 WT1 O ATOM 19394 H1 TIP3 6576 31.904 44.184 -0.492 1.00 0.00 WT1 H ATOM 19395 H2 TIP3 6576 32.957 45.104 -1.072 1.00 0.00 WT1 H ATOM 19396 OH2 TIP3 6577 88.080 73.197 31.162 1.00 0.00 WT1 O ATOM 19397 H1 TIP3 6577 88.554 72.405 30.907 1.00 0.00 WT1 H ATOM 19398 H2 TIP3 6577 88.666 73.641 31.774 1.00 0.00 WT1 H ATOM 19399 OH2 TIP3 6578 24.196 56.970 6.898 1.00 0.00 WT1 O ATOM 19400 H1 TIP3 6578 23.973 56.914 7.827 1.00 0.00 WT1 H ATOM 19401 H2 TIP3 6578 24.539 57.856 6.786 1.00 0.00 WT1 H ATOM 19402 OH2 TIP3 6579 56.998 0.167 59.618 1.00 0.00 WT1 O ATOM 19403 H1 TIP3 6579 57.096 -0.329 58.805 1.00 0.00 WT1 H ATOM 19404 H2 TIP3 6579 56.454 0.916 59.377 1.00 0.00 WT1 H ATOM 19405 OH2 TIP3 6580 32.227 53.595 62.407 1.00 0.00 WT1 O ATOM 19406 H1 TIP3 6580 31.361 53.856 62.722 1.00 0.00 WT1 H ATOM 19407 H2 TIP3 6580 32.800 54.322 62.652 1.00 0.00 WT1 H ATOM 19408 OH2 TIP3 6581 30.399 41.096 26.662 1.00 0.00 WT1 O ATOM 19409 H1 TIP3 6581 30.255 40.601 25.855 1.00 0.00 WT1 H ATOM 19410 H2 TIP3 6581 31.157 41.649 26.472 1.00 0.00 WT1 H ATOM 19411 OH2 TIP3 6583 67.939 43.043 -14.910 1.00 0.00 WT1 O ATOM 19412 H1 TIP3 6583 67.411 42.476 -15.471 1.00 0.00 WT1 H ATOM 19413 H2 TIP3 6583 67.561 43.915 -15.026 1.00 0.00 WT1 H ATOM 19414 OH2 TIP3 6584 23.403 47.002 6.387 1.00 0.00 WT1 O ATOM 19415 H1 TIP3 6584 24.096 47.205 7.016 1.00 0.00 WT1 H ATOM 19416 H2 TIP3 6584 22.861 46.349 6.831 1.00 0.00 WT1 H ATOM 19417 OH2 TIP3 6585 49.430 80.057 14.864 1.00 0.00 WT1 O ATOM 19418 H1 TIP3 6585 50.375 79.915 14.920 1.00 0.00 WT1 H ATOM 19419 H2 TIP3 6585 49.104 79.844 15.739 1.00 0.00 WT1 H ATOM 19420 OH2 TIP3 6586 74.779 64.606 -7.379 1.00 0.00 WT1 O ATOM 19421 H1 TIP3 6586 73.848 64.763 -7.219 1.00 0.00 WT1 H ATOM 19422 H2 TIP3 6586 75.107 64.251 -6.553 1.00 0.00 WT1 H ATOM 19423 OH2 TIP3 6587 42.500 51.517 -8.682 1.00 0.00 WT1 O ATOM 19424 H1 TIP3 6587 43.243 52.111 -8.583 1.00 0.00 WT1 H ATOM 19425 H2 TIP3 6587 41.736 52.049 -8.462 1.00 0.00 WT1 H ATOM 19426 OH2 TIP3 6589 72.120 66.987 52.103 1.00 0.00 WT1 O ATOM 19427 H1 TIP3 6589 71.213 66.733 51.928 1.00 0.00 WT1 H ATOM 19428 H2 TIP3 6589 72.264 67.755 51.551 1.00 0.00 WT1 H ATOM 19429 OH2 TIP3 6590 87.259 59.389 60.539 1.00 0.00 WT1 O ATOM 19430 H1 TIP3 6590 88.029 59.718 60.076 1.00 0.00 WT1 H ATOM 19431 H2 TIP3 6590 87.482 58.486 60.764 1.00 0.00 WT1 H ATOM 19432 OH2 TIP3 6592 58.118 92.894 37.601 1.00 0.00 WT1 O ATOM 19433 H1 TIP3 6592 58.872 93.391 37.919 1.00 0.00 WT1 H ATOM 19434 H2 TIP3 6592 57.918 93.282 36.749 1.00 0.00 WT1 H ATOM 19435 OH2 TIP3 6594 40.793 88.244 35.524 1.00 0.00 WT1 O ATOM 19436 H1 TIP3 6594 40.323 88.825 34.926 1.00 0.00 WT1 H ATOM 19437 H2 TIP3 6594 40.618 88.601 36.394 1.00 0.00 WT1 H ATOM 19438 OH2 TIP3 6595 71.757 0.070 20.579 1.00 0.00 WT1 O ATOM 19439 H1 TIP3 6595 71.725 0.282 19.646 1.00 0.00 WT1 H ATOM 19440 H2 TIP3 6595 71.638 0.911 21.020 1.00 0.00 WT1 H ATOM 19441 OH2 TIP3 6596 54.501 23.735 54.424 1.00 0.00 WT1 O ATOM 19442 H1 TIP3 6596 53.735 24.009 53.919 1.00 0.00 WT1 H ATOM 19443 H2 TIP3 6596 55.230 24.216 54.032 1.00 0.00 WT1 H ATOM 19444 OH2 TIP3 6597 70.541 5.099 -6.048 1.00 0.00 WT1 O ATOM 19445 H1 TIP3 6597 69.685 4.684 -5.937 1.00 0.00 WT1 H ATOM 19446 H2 TIP3 6597 70.388 6.021 -5.842 1.00 0.00 WT1 H ATOM 19447 OH2 TIP3 6598 44.209 66.834 60.199 1.00 0.00 WT1 O ATOM 19448 H1 TIP3 6598 44.642 66.245 60.817 1.00 0.00 WT1 H ATOM 19449 H2 TIP3 6598 44.922 67.193 59.670 1.00 0.00 WT1 H ATOM 19450 OH2 TIP3 6600 44.366 57.203 -9.134 1.00 0.00 WT1 O ATOM 19451 H1 TIP3 6600 44.354 56.292 -9.428 1.00 0.00 WT1 H ATOM 19452 H2 TIP3 6600 43.531 57.563 -9.433 1.00 0.00 WT1 H ATOM 19453 OH2 TIP3 6601 51.108 22.629 -17.608 1.00 0.00 WT1 O ATOM 19454 H1 TIP3 6601 51.517 22.642 -18.474 1.00 0.00 WT1 H ATOM 19455 H2 TIP3 6601 51.503 23.368 -17.145 1.00 0.00 WT1 H ATOM 19456 OH2 TIP3 6602 89.291 80.727 -2.450 1.00 0.00 WT1 O ATOM 19457 H1 TIP3 6602 88.359 80.570 -2.297 1.00 0.00 WT1 H ATOM 19458 H2 TIP3 6602 89.615 81.075 -1.619 1.00 0.00 WT1 H ATOM 19459 OH2 TIP3 6603 56.107 69.677 -0.678 1.00 0.00 WT1 O ATOM 19460 H1 TIP3 6603 55.354 69.749 -0.091 1.00 0.00 WT1 H ATOM 19461 H2 TIP3 6603 56.801 69.307 -0.133 1.00 0.00 WT1 H ATOM 19462 OH2 TIP3 6604 50.141 2.864 14.938 1.00 0.00 WT1 O ATOM 19463 H1 TIP3 6604 50.307 3.801 15.036 1.00 0.00 WT1 H ATOM 19464 H2 TIP3 6604 50.996 2.454 15.064 1.00 0.00 WT1 H ATOM 19465 OH2 TIP3 6606 75.991 54.736 43.850 1.00 0.00 WT1 O ATOM 19466 H1 TIP3 6606 76.294 53.829 43.798 1.00 0.00 WT1 H ATOM 19467 H2 TIP3 6606 76.560 55.214 43.247 1.00 0.00 WT1 H ATOM 19468 OH2 TIP3 6607 55.055 63.741 22.838 1.00 0.00 WT1 O ATOM 19469 H1 TIP3 6607 55.576 63.507 22.070 1.00 0.00 WT1 H ATOM 19470 H2 TIP3 6607 54.933 62.915 23.306 1.00 0.00 WT1 H ATOM 19471 OH2 TIP3 6608 73.159 42.604 36.182 1.00 0.00 WT1 O ATOM 19472 H1 TIP3 6608 72.721 42.920 35.391 1.00 0.00 WT1 H ATOM 19473 H2 TIP3 6608 73.578 43.381 36.551 1.00 0.00 WT1 H ATOM 19474 OH2 TIP3 6609 58.901 57.454 26.936 1.00 0.00 WT1 O ATOM 19475 H1 TIP3 6609 58.190 58.069 26.759 1.00 0.00 WT1 H ATOM 19476 H2 TIP3 6609 58.789 57.216 27.856 1.00 0.00 WT1 H ATOM 19477 OH2 TIP3 6610 37.445 49.014 22.683 1.00 0.00 WT1 O ATOM 19478 H1 TIP3 6610 38.291 49.172 23.103 1.00 0.00 WT1 H ATOM 19479 H2 TIP3 6610 37.062 48.291 23.179 1.00 0.00 WT1 H ATOM 19480 OH2 TIP3 6611 64.695 65.383 39.133 1.00 0.00 WT1 O ATOM 19481 H1 TIP3 6611 63.967 65.975 38.942 1.00 0.00 WT1 H ATOM 19482 H2 TIP3 6611 64.275 64.556 39.368 1.00 0.00 WT1 H ATOM 19483 OH2 TIP3 6613 72.439 2.992 30.940 1.00 0.00 WT1 O ATOM 19484 H1 TIP3 6613 71.970 3.372 30.198 1.00 0.00 WT1 H ATOM 19485 H2 TIP3 6613 71.912 3.226 31.703 1.00 0.00 WT1 H ATOM 19486 OH2 TIP3 6614 40.761 62.438 65.832 1.00 0.00 WT1 O ATOM 19487 H1 TIP3 6614 40.876 61.499 65.972 1.00 0.00 WT1 H ATOM 19488 H2 TIP3 6614 40.293 62.742 66.610 1.00 0.00 WT1 H ATOM 19489 OH2 TIP3 6615 36.008 24.576 61.151 1.00 0.00 WT1 O ATOM 19490 H1 TIP3 6615 35.914 24.828 60.232 1.00 0.00 WT1 H ATOM 19491 H2 TIP3 6615 36.648 23.864 61.140 1.00 0.00 WT1 H ATOM 19492 OH2 TIP3 6616 48.316 19.959 23.074 1.00 0.00 WT1 O ATOM 19493 H1 TIP3 6616 48.428 20.616 23.761 1.00 0.00 WT1 H ATOM 19494 H2 TIP3 6616 47.371 19.929 22.923 1.00 0.00 WT1 H ATOM 19495 OH2 TIP3 6618 72.486 71.316 -5.936 1.00 0.00 WT1 O ATOM 19496 H1 TIP3 6618 72.435 70.421 -5.601 1.00 0.00 WT1 H ATOM 19497 H2 TIP3 6618 72.277 71.867 -5.182 1.00 0.00 WT1 H ATOM 19498 OH2 TIP3 6620 77.309 84.413 61.019 1.00 0.00 WT1 O ATOM 19499 H1 TIP3 6620 77.668 83.528 61.091 1.00 0.00 WT1 H ATOM 19500 H2 TIP3 6620 77.300 84.593 60.079 1.00 0.00 WT1 H ATOM 19501 OH2 TIP3 6621 60.566 13.400 57.058 1.00 0.00 WT1 O ATOM 19502 H1 TIP3 6621 61.263 13.127 56.462 1.00 0.00 WT1 H ATOM 19503 H2 TIP3 6621 60.837 13.067 57.913 1.00 0.00 WT1 H ATOM 19504 OH2 TIP3 6622 21.385 -0.059 -2.071 1.00 0.00 WT1 O ATOM 19505 H1 TIP3 6622 21.233 0.393 -1.242 1.00 0.00 WT1 H ATOM 19506 H2 TIP3 6622 21.199 0.599 -2.741 1.00 0.00 WT1 H ATOM 19507 OH2 TIP3 6623 86.430 26.936 13.193 1.00 0.00 WT1 O ATOM 19508 H1 TIP3 6623 86.858 26.233 12.705 1.00 0.00 WT1 H ATOM 19509 H2 TIP3 6623 85.545 26.610 13.359 1.00 0.00 WT1 H ATOM 19510 OH2 TIP3 6625 79.218 38.924 13.139 1.00 0.00 WT1 O ATOM 19511 H1 TIP3 6625 78.531 38.994 12.477 1.00 0.00 WT1 H ATOM 19512 H2 TIP3 6625 79.515 39.824 13.274 1.00 0.00 WT1 H ATOM 19513 OH2 TIP3 6626 48.000 51.592 19.094 1.00 0.00 WT1 O ATOM 19514 H1 TIP3 6626 48.916 51.312 19.107 1.00 0.00 WT1 H ATOM 19515 H2 TIP3 6626 48.002 52.393 18.570 1.00 0.00 WT1 H ATOM 19516 OH2 TIP3 6627 46.779 55.552 -19.357 1.00 0.00 WT1 O ATOM 19517 H1 TIP3 6627 46.487 54.893 -18.727 1.00 0.00 WT1 H ATOM 19518 H2 TIP3 6627 46.947 56.332 -18.828 1.00 0.00 WT1 H ATOM 19519 OH2 TIP3 6628 69.915 37.256 25.754 1.00 0.00 WT1 O ATOM 19520 H1 TIP3 6628 70.709 37.352 25.227 1.00 0.00 WT1 H ATOM 19521 H2 TIP3 6628 69.279 37.838 25.337 1.00 0.00 WT1 H ATOM 19522 OH2 TIP3 6629 71.087 64.965 21.340 1.00 0.00 WT1 O ATOM 19523 H1 TIP3 6629 71.353 64.094 21.046 1.00 0.00 WT1 H ATOM 19524 H2 TIP3 6629 70.672 64.816 22.189 1.00 0.00 WT1 H ATOM 19525 OH2 TIP3 6630 20.882 22.622 63.348 1.00 0.00 WT1 O ATOM 19526 H1 TIP3 6630 20.470 23.279 63.910 1.00 0.00 WT1 H ATOM 19527 H2 TIP3 6630 21.031 21.872 63.924 1.00 0.00 WT1 H ATOM 19528 OH2 TIP3 6631 51.543 62.470 13.162 1.00 0.00 WT1 O ATOM 19529 H1 TIP3 6631 51.257 62.633 14.061 1.00 0.00 WT1 H ATOM 19530 H2 TIP3 6631 52.487 62.327 13.233 1.00 0.00 WT1 H ATOM 19531 OH2 TIP3 6632 43.105 3.693 25.751 1.00 0.00 WT1 O ATOM 19532 H1 TIP3 6632 42.557 4.210 25.161 1.00 0.00 WT1 H ATOM 19533 H2 TIP3 6632 43.198 4.238 26.532 1.00 0.00 WT1 H ATOM 19534 OH2 TIP3 6633 80.861 69.593 -7.546 1.00 0.00 WT1 O ATOM 19535 H1 TIP3 6633 80.794 69.899 -8.451 1.00 0.00 WT1 H ATOM 19536 H2 TIP3 6633 79.991 69.250 -7.343 1.00 0.00 WT1 H ATOM 19537 OH2 TIP3 6634 89.503 78.403 58.621 1.00 0.00 WT1 O ATOM 19538 H1 TIP3 6634 89.467 77.509 58.960 1.00 0.00 WT1 H ATOM 19539 H2 TIP3 6634 88.594 78.703 58.638 1.00 0.00 WT1 H ATOM 19540 OH2 TIP3 6635 32.351 31.535 37.524 1.00 0.00 WT1 O ATOM 19541 H1 TIP3 6635 31.632 31.002 37.864 1.00 0.00 WT1 H ATOM 19542 H2 TIP3 6635 32.512 32.185 38.208 1.00 0.00 WT1 H ATOM 19543 OH2 TIP3 6636 80.328 29.209 -6.338 1.00 0.00 WT1 O ATOM 19544 H1 TIP3 6636 80.570 28.761 -7.149 1.00 0.00 WT1 H ATOM 19545 H2 TIP3 6636 81.158 29.341 -5.880 1.00 0.00 WT1 H ATOM 19546 OH2 TIP3 6637 44.958 16.644 -15.790 1.00 0.00 WT1 O ATOM 19547 H1 TIP3 6637 45.265 17.148 -16.543 1.00 0.00 WT1 H ATOM 19548 H2 TIP3 6637 45.730 16.161 -15.494 1.00 0.00 WT1 H ATOM 19549 OH2 TIP3 6638 53.849 31.837 55.804 1.00 0.00 WT1 O ATOM 19550 H1 TIP3 6638 53.830 32.253 54.942 1.00 0.00 WT1 H ATOM 19551 H2 TIP3 6638 53.066 32.166 56.246 1.00 0.00 WT1 H ATOM 19552 OH2 TIP3 6639 54.514 23.102 43.199 1.00 0.00 WT1 O ATOM 19553 H1 TIP3 6639 53.742 23.550 42.853 1.00 0.00 WT1 H ATOM 19554 H2 TIP3 6639 54.543 23.354 44.122 1.00 0.00 WT1 H ATOM 19555 OH2 TIP3 6640 49.092 73.059 -19.462 1.00 0.00 WT1 O ATOM 19556 H1 TIP3 6640 48.744 72.589 -20.219 1.00 0.00 WT1 H ATOM 19557 H2 TIP3 6640 49.903 72.599 -19.246 1.00 0.00 WT1 H ATOM 19558 OH2 TIP3 6641 76.627 0.475 9.160 1.00 0.00 WT1 O ATOM 19559 H1 TIP3 6641 76.994 0.757 9.998 1.00 0.00 WT1 H ATOM 19560 H2 TIP3 6641 77.114 0.974 8.504 1.00 0.00 WT1 H ATOM 19561 OH2 TIP3 6642 21.479 3.986 5.880 1.00 0.00 WT1 O ATOM 19562 H1 TIP3 6642 20.871 4.627 6.246 1.00 0.00 WT1 H ATOM 19563 H2 TIP3 6642 21.396 3.223 6.452 1.00 0.00 WT1 H ATOM 19564 OH2 TIP3 6643 87.217 55.920 1.720 1.00 0.00 WT1 O ATOM 19565 H1 TIP3 6643 86.718 56.713 1.523 1.00 0.00 WT1 H ATOM 19566 H2 TIP3 6643 87.917 55.909 1.068 1.00 0.00 WT1 H ATOM 19567 OH2 TIP3 6644 86.306 90.660 46.249 1.00 0.00 WT1 O ATOM 19568 H1 TIP3 6644 85.967 91.423 45.782 1.00 0.00 WT1 H ATOM 19569 H2 TIP3 6644 85.822 89.920 45.883 1.00 0.00 WT1 H ATOM 19570 OH2 TIP3 6645 26.623 67.074 23.661 1.00 0.00 WT1 O ATOM 19571 H1 TIP3 6645 27.329 66.450 23.492 1.00 0.00 WT1 H ATOM 19572 H2 TIP3 6645 26.687 67.262 24.597 1.00 0.00 WT1 H ATOM 19573 OH2 TIP3 6647 30.075 51.113 10.627 1.00 0.00 WT1 O ATOM 19574 H1 TIP3 6647 29.836 51.673 11.365 1.00 0.00 WT1 H ATOM 19575 H2 TIP3 6647 30.648 50.447 11.006 1.00 0.00 WT1 H ATOM 19576 OH2 TIP3 6648 51.469 41.085 60.331 1.00 0.00 WT1 O ATOM 19577 H1 TIP3 6648 52.021 41.001 59.554 1.00 0.00 WT1 H ATOM 19578 H2 TIP3 6648 50.913 41.843 60.150 1.00 0.00 WT1 H ATOM 19579 OH2 TIP3 6649 62.404 43.408 -18.428 1.00 0.00 WT1 O ATOM 19580 H1 TIP3 6649 62.190 43.794 -17.579 1.00 0.00 WT1 H ATOM 19581 H2 TIP3 6649 62.780 44.129 -18.932 1.00 0.00 WT1 H ATOM 19582 OH2 TIP3 6650 33.148 93.349 29.275 1.00 0.00 WT1 O ATOM 19583 H1 TIP3 6650 34.059 93.515 29.032 1.00 0.00 WT1 H ATOM 19584 H2 TIP3 6650 32.762 94.220 29.365 1.00 0.00 WT1 H ATOM 19585 OH2 TIP3 6651 84.974 64.665 6.430 1.00 0.00 WT1 O ATOM 19586 H1 TIP3 6651 84.179 64.975 5.996 1.00 0.00 WT1 H ATOM 19587 H2 TIP3 6651 85.532 64.358 5.716 1.00 0.00 WT1 H ATOM 19588 OH2 TIP3 6652 33.350 88.336 50.974 1.00 0.00 WT1 O ATOM 19589 H1 TIP3 6652 32.400 88.223 50.968 1.00 0.00 WT1 H ATOM 19590 H2 TIP3 6652 33.594 88.276 51.897 1.00 0.00 WT1 H ATOM 19591 OH2 TIP3 6653 34.824 73.118 61.509 1.00 0.00 WT1 O ATOM 19592 H1 TIP3 6653 35.249 73.113 60.651 1.00 0.00 WT1 H ATOM 19593 H2 TIP3 6653 33.918 72.869 61.329 1.00 0.00 WT1 H ATOM 19594 OH2 TIP3 6654 56.913 38.925 -5.452 1.00 0.00 WT1 O ATOM 19595 H1 TIP3 6654 57.600 39.112 -6.091 1.00 0.00 WT1 H ATOM 19596 H2 TIP3 6654 56.197 39.514 -5.690 1.00 0.00 WT1 H ATOM 19597 OH2 TIP3 6655 69.141 19.258 64.002 1.00 0.00 WT1 O ATOM 19598 H1 TIP3 6655 69.798 19.589 64.615 1.00 0.00 WT1 H ATOM 19599 H2 TIP3 6655 69.634 18.699 63.401 1.00 0.00 WT1 H ATOM 19600 OH2 TIP3 6656 36.450 15.590 4.967 1.00 0.00 WT1 O ATOM 19601 H1 TIP3 6656 35.754 15.772 4.335 1.00 0.00 WT1 H ATOM 19602 H2 TIP3 6656 37.061 16.320 4.867 1.00 0.00 WT1 H ATOM 19603 OH2 TIP3 6657 70.556 44.309 10.335 1.00 0.00 WT1 O ATOM 19604 H1 TIP3 6657 69.774 44.860 10.299 1.00 0.00 WT1 H ATOM 19605 H2 TIP3 6657 70.855 44.375 11.242 1.00 0.00 WT1 H ATOM 19606 OH2 TIP3 6658 29.589 85.204 -2.436 1.00 0.00 WT1 O ATOM 19607 H1 TIP3 6658 29.469 85.815 -1.709 1.00 0.00 WT1 H ATOM 19608 H2 TIP3 6658 29.220 84.380 -2.119 1.00 0.00 WT1 H ATOM 19609 OH2 TIP3 6659 27.333 96.051 28.027 1.00 0.00 WT1 O ATOM 19610 H1 TIP3 6659 27.539 95.144 27.800 1.00 0.00 WT1 H ATOM 19611 H2 TIP3 6659 27.063 96.013 28.945 1.00 0.00 WT1 H ATOM 19612 OH2 TIP3 6660 89.997 19.880 -12.108 1.00 0.00 WT1 O ATOM 19613 H1 TIP3 6660 89.845 20.244 -11.236 1.00 0.00 WT1 H ATOM 19614 H2 TIP3 6660 89.487 20.441 -12.693 1.00 0.00 WT1 H ATOM 19615 OH2 TIP3 6661 31.580 63.368 18.685 1.00 0.00 WT1 O ATOM 19616 H1 TIP3 6661 32.012 62.672 18.191 1.00 0.00 WT1 H ATOM 19617 H2 TIP3 6661 30.998 63.786 18.051 1.00 0.00 WT1 H ATOM 19618 OH2 TIP3 6662 28.274 86.851 64.234 1.00 0.00 WT1 O ATOM 19619 H1 TIP3 6662 28.721 87.592 64.643 1.00 0.00 WT1 H ATOM 19620 H2 TIP3 6662 28.717 86.079 64.589 1.00 0.00 WT1 H ATOM 19621 OH2 TIP3 6663 41.801 91.574 33.169 1.00 0.00 WT1 O ATOM 19622 H1 TIP3 6663 40.970 91.109 33.081 1.00 0.00 WT1 H ATOM 19623 H2 TIP3 6663 41.732 92.308 32.558 1.00 0.00 WT1 H ATOM 19624 OH2 TIP3 6664 78.144 65.308 -0.349 1.00 0.00 WT1 O ATOM 19625 H1 TIP3 6664 78.161 64.485 0.139 1.00 0.00 WT1 H ATOM 19626 H2 TIP3 6664 77.236 65.605 -0.288 1.00 0.00 WT1 H ATOM 19627 OH2 TIP3 6665 73.233 91.935 3.149 1.00 0.00 WT1 O ATOM 19628 H1 TIP3 6665 73.678 92.721 3.466 1.00 0.00 WT1 H ATOM 19629 H2 TIP3 6665 72.438 92.263 2.728 1.00 0.00 WT1 H ATOM 19630 OH2 TIP3 6666 72.474 77.475 13.317 1.00 0.00 WT1 O ATOM 19631 H1 TIP3 6666 72.156 76.916 12.607 1.00 0.00 WT1 H ATOM 19632 H2 TIP3 6666 73.428 77.418 13.257 1.00 0.00 WT1 H ATOM 19633 OH2 TIP3 6667 56.510 73.099 7.356 1.00 0.00 WT1 O ATOM 19634 H1 TIP3 6667 57.062 72.354 7.593 1.00 0.00 WT1 H ATOM 19635 H2 TIP3 6667 55.754 73.032 7.939 1.00 0.00 WT1 H ATOM 19636 OH2 TIP3 6668 64.061 51.235 27.005 1.00 0.00 WT1 O ATOM 19637 H1 TIP3 6668 63.141 51.195 27.265 1.00 0.00 WT1 H ATOM 19638 H2 TIP3 6668 64.339 52.121 27.238 1.00 0.00 WT1 H ATOM 19639 OH2 TIP3 6669 70.365 58.895 66.474 1.00 0.00 WT1 O ATOM 19640 H1 TIP3 6669 70.009 58.284 65.829 1.00 0.00 WT1 H ATOM 19641 H2 TIP3 6669 71.269 58.607 66.603 1.00 0.00 WT1 H ATOM 19642 OH2 TIP3 6670 83.950 57.434 26.381 1.00 0.00 WT1 O ATOM 19643 H1 TIP3 6670 83.990 57.164 25.464 1.00 0.00 WT1 H ATOM 19644 H2 TIP3 6670 84.838 57.728 26.584 1.00 0.00 WT1 H ATOM 19645 OH2 TIP3 6671 33.218 92.218 53.739 1.00 0.00 WT1 O ATOM 19646 H1 TIP3 6671 32.477 92.484 53.194 1.00 0.00 WT1 H ATOM 19647 H2 TIP3 6671 33.650 93.040 53.972 1.00 0.00 WT1 H ATOM 19648 OH2 TIP3 6672 51.190 38.334 56.698 1.00 0.00 WT1 O ATOM 19649 H1 TIP3 6672 50.344 38.353 56.252 1.00 0.00 WT1 H ATOM 19650 H2 TIP3 6672 51.532 39.223 56.604 1.00 0.00 WT1 H ATOM 19651 OH2 TIP3 6673 82.597 96.121 35.420 1.00 0.00 WT1 O ATOM 19652 H1 TIP3 6673 81.667 96.344 35.446 1.00 0.00 WT1 H ATOM 19653 H2 TIP3 6673 82.809 96.083 34.487 1.00 0.00 WT1 H ATOM 19654 OH2 TIP3 6674 70.348 84.183 59.836 1.00 0.00 WT1 O ATOM 19655 H1 TIP3 6674 71.095 83.953 60.389 1.00 0.00 WT1 H ATOM 19656 H2 TIP3 6674 69.834 84.791 60.367 1.00 0.00 WT1 H ATOM 19657 OH2 TIP3 6677 57.898 39.825 55.517 1.00 0.00 WT1 O ATOM 19658 H1 TIP3 6677 57.668 40.552 56.095 1.00 0.00 WT1 H ATOM 19659 H2 TIP3 6677 57.405 39.991 54.714 1.00 0.00 WT1 H ATOM 19660 OH2 TIP3 6678 54.279 61.663 19.662 1.00 0.00 WT1 O ATOM 19661 H1 TIP3 6678 53.803 61.325 18.903 1.00 0.00 WT1 H ATOM 19662 H2 TIP3 6678 54.192 60.977 20.324 1.00 0.00 WT1 H ATOM 19663 OH2 TIP3 6679 59.083 80.334 28.931 1.00 0.00 WT1 O ATOM 19664 H1 TIP3 6679 58.813 81.031 29.528 1.00 0.00 WT1 H ATOM 19665 H2 TIP3 6679 60.040 80.343 28.967 1.00 0.00 WT1 H ATOM 19666 OH2 TIP3 6680 59.168 13.121 53.587 1.00 0.00 WT1 O ATOM 19667 H1 TIP3 6680 59.676 12.395 53.227 1.00 0.00 WT1 H ATOM 19668 H2 TIP3 6680 58.821 12.786 54.414 1.00 0.00 WT1 H ATOM 19669 OH2 TIP3 6681 73.078 38.575 -6.404 1.00 0.00 WT1 O ATOM 19670 H1 TIP3 6681 72.231 39.006 -6.289 1.00 0.00 WT1 H ATOM 19671 H2 TIP3 6681 72.983 38.070 -7.211 1.00 0.00 WT1 H ATOM 19672 OH2 TIP3 6682 57.015 21.850 65.316 1.00 0.00 WT1 O ATOM 19673 H1 TIP3 6682 57.951 22.043 65.363 1.00 0.00 WT1 H ATOM 19674 H2 TIP3 6682 56.772 21.615 66.211 1.00 0.00 WT1 H ATOM 19675 OH2 TIP3 6683 47.752 4.270 7.262 1.00 0.00 WT1 O ATOM 19676 H1 TIP3 6683 47.424 4.266 8.162 1.00 0.00 WT1 H ATOM 19677 H2 TIP3 6683 48.591 4.727 7.314 1.00 0.00 WT1 H ATOM 19678 OH2 TIP3 6684 31.524 90.836 17.336 1.00 0.00 WT1 O ATOM 19679 H1 TIP3 6684 32.030 90.231 17.879 1.00 0.00 WT1 H ATOM 19680 H2 TIP3 6684 31.891 90.734 16.458 1.00 0.00 WT1 H ATOM 19681 OH2 TIP3 6685 41.678 5.598 24.245 1.00 0.00 WT1 O ATOM 19682 H1 TIP3 6685 40.902 5.450 23.706 1.00 0.00 WT1 H ATOM 19683 H2 TIP3 6685 41.334 5.749 25.125 1.00 0.00 WT1 H ATOM 19684 OH2 TIP3 6686 24.563 23.260 4.325 1.00 0.00 WT1 O ATOM 19685 H1 TIP3 6686 24.697 24.182 4.105 1.00 0.00 WT1 H ATOM 19686 H2 TIP3 6686 24.910 22.781 3.573 1.00 0.00 WT1 H ATOM 19687 OH2 TIP3 6687 49.641 90.827 42.320 1.00 0.00 WT1 O ATOM 19688 H1 TIP3 6687 48.949 90.170 42.242 1.00 0.00 WT1 H ATOM 19689 H2 TIP3 6687 50.386 90.447 41.854 1.00 0.00 WT1 H ATOM 19690 OH2 TIP3 6688 38.469 52.933 54.871 1.00 0.00 WT1 O ATOM 19691 H1 TIP3 6688 38.846 53.525 54.221 1.00 0.00 WT1 H ATOM 19692 H2 TIP3 6688 39.026 52.155 54.840 1.00 0.00 WT1 H ATOM 19693 OH2 TIP3 6689 28.085 1.232 -7.115 1.00 0.00 WT1 O ATOM 19694 H1 TIP3 6689 28.296 0.314 -6.949 1.00 0.00 WT1 H ATOM 19695 H2 TIP3 6689 27.634 1.522 -6.322 1.00 0.00 WT1 H ATOM 19696 OH2 TIP3 6690 24.715 20.247 44.369 1.00 0.00 WT1 O ATOM 19697 H1 TIP3 6690 24.875 20.611 43.498 1.00 0.00 WT1 H ATOM 19698 H2 TIP3 6690 23.984 19.641 44.244 1.00 0.00 WT1 H ATOM 19699 OH2 TIP3 6691 85.707 23.220 60.447 1.00 0.00 WT1 O ATOM 19700 H1 TIP3 6691 86.636 23.442 60.511 1.00 0.00 WT1 H ATOM 19701 H2 TIP3 6691 85.508 23.287 59.513 1.00 0.00 WT1 H ATOM 19702 OH2 TIP3 6692 83.671 41.548 -12.270 1.00 0.00 WT1 O ATOM 19703 H1 TIP3 6692 84.003 41.734 -11.391 1.00 0.00 WT1 H ATOM 19704 H2 TIP3 6692 82.818 41.139 -12.122 1.00 0.00 WT1 H ATOM 19705 OH2 TIP3 6693 54.750 94.521 38.433 1.00 0.00 WT1 O ATOM 19706 H1 TIP3 6693 54.709 93.701 37.942 1.00 0.00 WT1 H ATOM 19707 H2 TIP3 6693 55.347 95.074 37.927 1.00 0.00 WT1 H ATOM 19708 OH2 TIP3 6694 70.211 70.935 35.031 1.00 0.00 WT1 O ATOM 19709 H1 TIP3 6694 69.958 70.107 34.624 1.00 0.00 WT1 H ATOM 19710 H2 TIP3 6694 69.810 71.606 34.479 1.00 0.00 WT1 H ATOM 19711 OH2 TIP3 6695 38.547 7.176 33.696 1.00 0.00 WT1 O ATOM 19712 H1 TIP3 6695 38.148 6.315 33.822 1.00 0.00 WT1 H ATOM 19713 H2 TIP3 6695 38.162 7.501 32.882 1.00 0.00 WT1 H ATOM 19714 OH2 TIP3 6696 85.086 88.911 33.924 1.00 0.00 WT1 O ATOM 19715 H1 TIP3 6696 84.663 88.060 34.036 1.00 0.00 WT1 H ATOM 19716 H2 TIP3 6696 84.545 89.516 34.432 1.00 0.00 WT1 H ATOM 19717 OH2 TIP3 6697 74.173 64.884 24.970 1.00 0.00 WT1 O ATOM 19718 H1 TIP3 6697 73.618 64.524 25.662 1.00 0.00 WT1 H ATOM 19719 H2 TIP3 6697 73.745 65.704 24.722 1.00 0.00 WT1 H ATOM 19720 OH2 TIP3 6698 77.366 20.844 -14.404 1.00 0.00 WT1 O ATOM 19721 H1 TIP3 6698 77.376 20.696 -15.350 1.00 0.00 WT1 H ATOM 19722 H2 TIP3 6698 78.052 21.495 -14.256 1.00 0.00 WT1 H ATOM 19723 OH2 TIP3 6699 82.767 73.834 20.906 1.00 0.00 WT1 O ATOM 19724 H1 TIP3 6699 82.059 73.806 21.550 1.00 0.00 WT1 H ATOM 19725 H2 TIP3 6699 83.279 73.043 21.078 1.00 0.00 WT1 H ATOM 19726 OH2 TIP3 6700 58.188 77.765 -9.185 1.00 0.00 WT1 O ATOM 19727 H1 TIP3 6700 57.344 77.402 -8.918 1.00 0.00 WT1 H ATOM 19728 H2 TIP3 6700 58.836 77.220 -8.739 1.00 0.00 WT1 H ATOM 19729 OH2 TIP3 6701 25.830 13.833 -18.486 1.00 0.00 WT1 O ATOM 19730 H1 TIP3 6701 25.042 13.968 -19.012 1.00 0.00 WT1 H ATOM 19731 H2 TIP3 6701 26.419 13.341 -19.058 1.00 0.00 WT1 H ATOM 19732 OH2 TIP3 6702 86.903 1.487 50.416 1.00 0.00 WT1 O ATOM 19733 H1 TIP3 6702 86.903 2.346 50.839 1.00 0.00 WT1 H ATOM 19734 H2 TIP3 6702 86.255 0.979 50.903 1.00 0.00 WT1 H ATOM 19735 OH2 TIP3 6703 52.052 5.646 11.336 1.00 0.00 WT1 O ATOM 19736 H1 TIP3 6703 51.808 5.536 12.255 1.00 0.00 WT1 H ATOM 19737 H2 TIP3 6703 51.395 5.147 10.851 1.00 0.00 WT1 H ATOM 19738 OH2 TIP3 6704 37.412 52.486 -17.814 1.00 0.00 WT1 O ATOM 19739 H1 TIP3 6704 37.708 53.360 -18.069 1.00 0.00 WT1 H ATOM 19740 H2 TIP3 6704 36.467 52.578 -17.697 1.00 0.00 WT1 H ATOM 19741 OH2 TIP3 6705 53.594 5.568 -16.151 1.00 0.00 WT1 O ATOM 19742 H1 TIP3 6705 54.143 6.183 -16.638 1.00 0.00 WT1 H ATOM 19743 H2 TIP3 6705 52.948 5.267 -16.789 1.00 0.00 WT1 H ATOM 19744 OH2 TIP3 6706 63.352 83.865 -7.038 1.00 0.00 WT1 O ATOM 19745 H1 TIP3 6706 63.412 83.661 -7.971 1.00 0.00 WT1 H ATOM 19746 H2 TIP3 6706 62.918 84.717 -7.005 1.00 0.00 WT1 H ATOM 19747 OH2 TIP3 6707 29.933 37.771 45.216 1.00 0.00 WT1 O ATOM 19748 H1 TIP3 6707 30.823 37.418 45.189 1.00 0.00 WT1 H ATOM 19749 H2 TIP3 6707 29.899 38.392 44.488 1.00 0.00 WT1 H ATOM 19750 OH2 TIP3 6708 83.165 18.402 60.167 1.00 0.00 WT1 O ATOM 19751 H1 TIP3 6708 82.927 18.563 61.081 1.00 0.00 WT1 H ATOM 19752 H2 TIP3 6708 83.898 18.996 60.002 1.00 0.00 WT1 H ATOM 19753 OH2 TIP3 6709 26.303 11.296 -16.431 1.00 0.00 WT1 O ATOM 19754 H1 TIP3 6709 25.906 12.124 -16.701 1.00 0.00 WT1 H ATOM 19755 H2 TIP3 6709 25.579 10.670 -16.433 1.00 0.00 WT1 H ATOM 19756 OH2 TIP3 6710 26.636 20.462 51.483 1.00 0.00 WT1 O ATOM 19757 H1 TIP3 6710 27.014 21.210 51.944 1.00 0.00 WT1 H ATOM 19758 H2 TIP3 6710 27.269 20.257 50.796 1.00 0.00 WT1 H ATOM 19759 OH2 TIP3 6711 22.466 34.414 6.708 1.00 0.00 WT1 O ATOM 19760 H1 TIP3 6711 22.970 33.672 6.371 1.00 0.00 WT1 H ATOM 19761 H2 TIP3 6711 22.316 34.969 5.944 1.00 0.00 WT1 H ATOM 19762 OH2 TIP3 6712 30.335 25.637 -4.995 1.00 0.00 WT1 O ATOM 19763 H1 TIP3 6712 29.586 26.046 -4.561 1.00 0.00 WT1 H ATOM 19764 H2 TIP3 6712 30.064 25.550 -5.910 1.00 0.00 WT1 H ATOM 19765 OH2 TIP3 6713 53.604 5.195 9.074 1.00 0.00 WT1 O ATOM 19766 H1 TIP3 6713 53.089 5.319 9.871 1.00 0.00 WT1 H ATOM 19767 H2 TIP3 6713 54.468 5.548 9.288 1.00 0.00 WT1 H ATOM 19768 OH2 TIP3 6714 66.798 9.567 -0.667 1.00 0.00 WT1 O ATOM 19769 H1 TIP3 6714 67.528 9.022 -0.961 1.00 0.00 WT1 H ATOM 19770 H2 TIP3 6714 66.570 9.219 0.195 1.00 0.00 WT1 H ATOM 19771 OH2 TIP3 6715 82.307 14.397 -0.902 1.00 0.00 WT1 O ATOM 19772 H1 TIP3 6715 81.671 15.107 -0.986 1.00 0.00 WT1 H ATOM 19773 H2 TIP3 6715 82.345 14.219 0.038 1.00 0.00 WT1 H ATOM 19774 OH2 TIP3 6716 74.169 90.410 57.214 1.00 0.00 WT1 O ATOM 19775 H1 TIP3 6716 73.379 90.109 57.662 1.00 0.00 WT1 H ATOM 19776 H2 TIP3 6716 74.888 90.006 57.700 1.00 0.00 WT1 H ATOM 19777 OH2 TIP3 6717 79.477 93.344 0.102 1.00 0.00 WT1 O ATOM 19778 H1 TIP3 6717 78.679 92.841 -0.061 1.00 0.00 WT1 H ATOM 19779 H2 TIP3 6717 79.390 94.119 -0.452 1.00 0.00 WT1 H ATOM 19780 OH2 TIP3 6718 34.877 67.089 -10.115 1.00 0.00 WT1 O ATOM 19781 H1 TIP3 6718 34.045 66.740 -10.434 1.00 0.00 WT1 H ATOM 19782 H2 TIP3 6718 35.543 66.607 -10.606 1.00 0.00 WT1 H ATOM 19783 OH2 TIP3 6719 22.909 50.759 -11.247 1.00 0.00 WT1 O ATOM 19784 H1 TIP3 6719 22.793 49.829 -11.055 1.00 0.00 WT1 H ATOM 19785 H2 TIP3 6719 22.181 51.190 -10.799 1.00 0.00 WT1 H ATOM 19786 OH2 TIP3 6720 20.723 40.857 -7.258 1.00 0.00 WT1 O ATOM 19787 H1 TIP3 6720 21.130 40.105 -6.829 1.00 0.00 WT1 H ATOM 19788 H2 TIP3 6720 21.119 41.619 -6.834 1.00 0.00 WT1 H ATOM 19789 OH2 TIP3 6721 88.680 31.931 -7.890 1.00 0.00 WT1 O ATOM 19790 H1 TIP3 6721 88.648 32.319 -7.016 1.00 0.00 WT1 H ATOM 19791 H2 TIP3 6721 88.196 31.110 -7.806 1.00 0.00 WT1 H ATOM 19792 OH2 TIP3 6722 25.750 24.745 56.256 1.00 0.00 WT1 O ATOM 19793 H1 TIP3 6722 26.107 24.991 55.403 1.00 0.00 WT1 H ATOM 19794 H2 TIP3 6722 26.502 24.412 56.745 1.00 0.00 WT1 H ATOM 19795 OH2 TIP3 6723 51.673 6.591 52.509 1.00 0.00 WT1 O ATOM 19796 H1 TIP3 6723 51.081 7.328 52.660 1.00 0.00 WT1 H ATOM 19797 H2 TIP3 6723 52.549 6.974 52.554 1.00 0.00 WT1 H ATOM 19798 OH2 TIP3 6724 31.536 49.628 -3.820 1.00 0.00 WT1 O ATOM 19799 H1 TIP3 6724 32.068 49.877 -3.065 1.00 0.00 WT1 H ATOM 19800 H2 TIP3 6724 30.903 49.000 -3.471 1.00 0.00 WT1 H ATOM 19801 OH2 TIP3 6725 65.892 43.491 61.191 1.00 0.00 WT1 O ATOM 19802 H1 TIP3 6725 66.361 43.338 60.371 1.00 0.00 WT1 H ATOM 19803 H2 TIP3 6725 65.691 42.614 61.520 1.00 0.00 WT1 H ATOM 19804 OH2 TIP3 6726 37.115 48.880 19.948 1.00 0.00 WT1 O ATOM 19805 H1 TIP3 6726 37.199 48.820 20.899 1.00 0.00 WT1 H ATOM 19806 H2 TIP3 6726 38.010 48.789 19.622 1.00 0.00 WT1 H ATOM 19807 OH2 TIP3 6727 66.648 20.301 17.011 1.00 0.00 WT1 O ATOM 19808 H1 TIP3 6727 66.285 20.629 16.188 1.00 0.00 WT1 H ATOM 19809 H2 TIP3 6727 65.893 19.953 17.485 1.00 0.00 WT1 H ATOM 19810 OH2 TIP3 6728 23.653 71.848 -12.711 1.00 0.00 WT1 O ATOM 19811 H1 TIP3 6728 24.283 72.176 -12.070 1.00 0.00 WT1 H ATOM 19812 H2 TIP3 6728 22.806 71.910 -12.269 1.00 0.00 WT1 H ATOM 19813 OH2 TIP3 6729 68.240 84.970 25.207 1.00 0.00 WT1 O ATOM 19814 H1 TIP3 6729 67.830 84.690 26.026 1.00 0.00 WT1 H ATOM 19815 H2 TIP3 6729 67.506 85.118 24.610 1.00 0.00 WT1 H ATOM 19816 OH2 TIP3 6730 67.102 54.642 24.935 1.00 0.00 WT1 O ATOM 19817 H1 TIP3 6730 66.549 54.383 24.198 1.00 0.00 WT1 H ATOM 19818 H2 TIP3 6730 66.690 55.435 25.277 1.00 0.00 WT1 H ATOM 19819 OH2 TIP3 6731 52.720 77.214 5.042 1.00 0.00 WT1 O ATOM 19820 H1 TIP3 6731 52.236 76.626 5.621 1.00 0.00 WT1 H ATOM 19821 H2 TIP3 6731 53.638 77.078 5.275 1.00 0.00 WT1 H ATOM 19822 OH2 TIP3 6732 83.031 18.411 -4.363 1.00 0.00 WT1 O ATOM 19823 H1 TIP3 6732 82.886 19.227 -4.842 1.00 0.00 WT1 H ATOM 19824 H2 TIP3 6732 82.344 18.399 -3.696 1.00 0.00 WT1 H ATOM 19825 OH2 TIP3 6733 83.495 30.049 33.332 1.00 0.00 WT1 O ATOM 19826 H1 TIP3 6733 82.851 30.700 33.053 1.00 0.00 WT1 H ATOM 19827 H2 TIP3 6733 84.225 30.565 33.674 1.00 0.00 WT1 H ATOM 19828 OH2 TIP3 6734 23.962 5.557 45.717 1.00 0.00 WT1 O ATOM 19829 H1 TIP3 6734 24.358 5.781 46.559 1.00 0.00 WT1 H ATOM 19830 H2 TIP3 6734 24.338 4.706 45.493 1.00 0.00 WT1 H ATOM 19831 OH2 TIP3 6735 33.359 24.451 25.447 1.00 0.00 WT1 O ATOM 19832 H1 TIP3 6735 32.932 24.706 24.629 1.00 0.00 WT1 H ATOM 19833 H2 TIP3 6735 32.687 23.968 25.928 1.00 0.00 WT1 H ATOM 19834 OH2 TIP3 6736 29.222 70.632 32.040 1.00 0.00 WT1 O ATOM 19835 H1 TIP3 6736 28.728 70.950 32.796 1.00 0.00 WT1 H ATOM 19836 H2 TIP3 6736 29.992 70.207 32.418 1.00 0.00 WT1 H ATOM 19837 OH2 TIP3 6737 84.928 10.544 43.825 1.00 0.00 WT1 O ATOM 19838 H1 TIP3 6737 84.765 9.624 43.614 1.00 0.00 WT1 H ATOM 19839 H2 TIP3 6737 85.542 10.516 44.559 1.00 0.00 WT1 H ATOM 19840 OH2 TIP3 6738 38.124 88.396 54.646 1.00 0.00 WT1 O ATOM 19841 H1 TIP3 6738 38.374 89.317 54.577 1.00 0.00 WT1 H ATOM 19842 H2 TIP3 6738 38.884 87.915 54.319 1.00 0.00 WT1 H ATOM 19843 OH2 TIP3 6739 53.733 6.996 48.020 1.00 0.00 WT1 O ATOM 19844 H1 TIP3 6739 54.433 6.557 48.504 1.00 0.00 WT1 H ATOM 19845 H2 TIP3 6739 52.974 6.949 48.601 1.00 0.00 WT1 H ATOM 19846 OH2 TIP3 6740 26.883 27.491 26.458 1.00 0.00 WT1 O ATOM 19847 H1 TIP3 6740 27.142 26.571 26.415 1.00 0.00 WT1 H ATOM 19848 H2 TIP3 6740 26.754 27.661 27.391 1.00 0.00 WT1 H ATOM 19849 OH2 TIP3 6741 64.737 5.392 39.362 1.00 0.00 WT1 O ATOM 19850 H1 TIP3 6741 65.169 6.222 39.562 1.00 0.00 WT1 H ATOM 19851 H2 TIP3 6741 65.342 4.723 39.683 1.00 0.00 WT1 H ATOM 19852 OH2 TIP3 6742 60.446 3.749 59.542 1.00 0.00 WT1 O ATOM 19853 H1 TIP3 6742 59.878 3.354 58.880 1.00 0.00 WT1 H ATOM 19854 H2 TIP3 6742 61.007 3.031 59.836 1.00 0.00 WT1 H ATOM 19855 OH2 TIP3 6743 72.591 85.961 39.440 1.00 0.00 WT1 O ATOM 19856 H1 TIP3 6743 72.618 85.351 40.177 1.00 0.00 WT1 H ATOM 19857 H2 TIP3 6743 73.415 85.813 38.975 1.00 0.00 WT1 H ATOM 19858 OH2 TIP3 6744 40.169 66.586 -16.969 1.00 0.00 WT1 O ATOM 19859 H1 TIP3 6744 40.166 67.273 -17.635 1.00 0.00 WT1 H ATOM 19860 H2 TIP3 6744 40.122 65.770 -17.466 1.00 0.00 WT1 H ATOM 19861 OH2 TIP3 6745 45.682 94.533 63.405 1.00 0.00 WT1 O ATOM 19862 H1 TIP3 6745 46.092 94.186 64.198 1.00 0.00 WT1 H ATOM 19863 H2 TIP3 6745 44.845 94.073 63.348 1.00 0.00 WT1 H ATOM 19864 OH2 TIP3 6746 53.307 37.649 0.136 1.00 0.00 WT1 O ATOM 19865 H1 TIP3 6746 52.628 38.171 0.564 1.00 0.00 WT1 H ATOM 19866 H2 TIP3 6746 53.511 36.958 0.767 1.00 0.00 WT1 H ATOM 19867 OH2 TIP3 6747 33.298 93.563 12.589 1.00 0.00 WT1 O ATOM 19868 H1 TIP3 6747 33.979 93.073 12.128 1.00 0.00 WT1 H ATOM 19869 H2 TIP3 6747 32.997 94.212 11.953 1.00 0.00 WT1 H ATOM 19870 OH2 TIP3 6748 55.129 7.074 56.904 1.00 0.00 WT1 O ATOM 19871 H1 TIP3 6748 54.835 6.870 56.016 1.00 0.00 WT1 H ATOM 19872 H2 TIP3 6748 55.901 6.523 57.033 1.00 0.00 WT1 H ATOM 19873 OH2 TIP3 6749 89.618 55.325 -8.098 1.00 0.00 WT1 O ATOM 19874 H1 TIP3 6749 89.410 55.945 -8.797 1.00 0.00 WT1 H ATOM 19875 H2 TIP3 6749 88.773 55.122 -7.697 1.00 0.00 WT1 H ATOM 19876 OH2 TIP3 6750 34.071 1.119 -18.538 1.00 0.00 WT1 O ATOM 19877 H1 TIP3 6750 34.412 1.051 -17.646 1.00 0.00 WT1 H ATOM 19878 H2 TIP3 6750 33.224 0.674 -18.505 1.00 0.00 WT1 H ATOM 19879 OH2 TIP3 6751 67.223 72.139 4.388 1.00 0.00 WT1 O ATOM 19880 H1 TIP3 6751 67.036 72.966 3.944 1.00 0.00 WT1 H ATOM 19881 H2 TIP3 6751 66.985 72.297 5.301 1.00 0.00 WT1 H ATOM 19882 OH2 TIP3 6752 76.580 49.672 20.964 1.00 0.00 WT1 O ATOM 19883 H1 TIP3 6752 75.909 50.111 21.487 1.00 0.00 WT1 H ATOM 19884 H2 TIP3 6752 76.109 49.336 20.202 1.00 0.00 WT1 H ATOM 19885 OH2 TIP3 6753 53.158 96.262 21.089 1.00 0.00 WT1 O ATOM 19886 H1 TIP3 6753 52.982 97.186 21.265 1.00 0.00 WT1 H ATOM 19887 H2 TIP3 6753 52.439 95.795 21.515 1.00 0.00 WT1 H ATOM 19888 OH2 TIP3 6754 63.427 39.257 37.524 1.00 0.00 WT1 O ATOM 19889 H1 TIP3 6754 64.167 38.984 36.982 1.00 0.00 WT1 H ATOM 19890 H2 TIP3 6754 62.734 39.468 36.898 1.00 0.00 WT1 H ATOM 19891 OH2 TIP3 6755 34.482 18.627 66.588 1.00 0.00 WT1 O ATOM 19892 H1 TIP3 6755 35.291 18.673 67.098 1.00 0.00 WT1 H ATOM 19893 H2 TIP3 6755 33.918 18.036 67.086 1.00 0.00 WT1 H ATOM 19894 OH2 TIP3 6756 34.012 64.567 24.831 1.00 0.00 WT1 O ATOM 19895 H1 TIP3 6756 34.893 64.268 24.606 1.00 0.00 WT1 H ATOM 19896 H2 TIP3 6756 33.747 65.113 24.091 1.00 0.00 WT1 H ATOM 19897 OH2 TIP3 6757 76.373 51.337 -1.027 1.00 0.00 WT1 O ATOM 19898 H1 TIP3 6757 76.601 51.797 -0.219 1.00 0.00 WT1 H ATOM 19899 H2 TIP3 6757 75.817 51.952 -1.505 1.00 0.00 WT1 H ATOM 19900 OH2 TIP3 6758 25.169 18.258 11.395 1.00 0.00 WT1 O ATOM 19901 H1 TIP3 6758 24.712 19.089 11.525 1.00 0.00 WT1 H ATOM 19902 H2 TIP3 6758 26.070 18.509 11.194 1.00 0.00 WT1 H ATOM 19903 OH2 TIP3 6759 87.776 59.643 37.102 1.00 0.00 WT1 O ATOM 19904 H1 TIP3 6759 87.063 59.053 36.858 1.00 0.00 WT1 H ATOM 19905 H2 TIP3 6759 87.425 60.156 37.830 1.00 0.00 WT1 H ATOM 19906 OH2 TIP3 6760 53.238 42.660 -5.773 1.00 0.00 WT1 O ATOM 19907 H1 TIP3 6760 52.365 42.408 -5.475 1.00 0.00 WT1 H ATOM 19908 H2 TIP3 6760 53.667 43.010 -4.992 1.00 0.00 WT1 H ATOM 19909 OH2 TIP3 6761 27.094 7.196 -17.060 1.00 0.00 WT1 O ATOM 19910 H1 TIP3 6761 26.600 7.199 -16.241 1.00 0.00 WT1 H ATOM 19911 H2 TIP3 6761 26.958 6.319 -17.420 1.00 0.00 WT1 H ATOM 19912 OH2 TIP3 6762 35.146 85.462 51.038 1.00 0.00 WT1 O ATOM 19913 H1 TIP3 6762 34.934 86.020 50.290 1.00 0.00 WT1 H ATOM 19914 H2 TIP3 6762 36.049 85.688 51.258 1.00 0.00 WT1 H ATOM 19915 OH2 TIP3 6763 82.408 90.394 5.600 1.00 0.00 WT1 O ATOM 19916 H1 TIP3 6763 83.219 90.259 5.110 1.00 0.00 WT1 H ATOM 19917 H2 TIP3 6763 81.749 90.575 4.929 1.00 0.00 WT1 H ATOM 19918 OH2 TIP3 6764 75.729 68.494 65.561 1.00 0.00 WT1 O ATOM 19919 H1 TIP3 6764 75.191 68.386 66.345 1.00 0.00 WT1 H ATOM 19920 H2 TIP3 6764 75.371 67.864 64.935 1.00 0.00 WT1 H ATOM 19921 OH2 TIP3 6765 71.259 33.758 13.096 1.00 0.00 WT1 O ATOM 19922 H1 TIP3 6765 70.777 34.455 13.540 1.00 0.00 WT1 H ATOM 19923 H2 TIP3 6765 70.581 33.160 12.782 1.00 0.00 WT1 H ATOM 19924 OH2 TIP3 6766 89.602 56.569 -14.852 1.00 0.00 WT1 O ATOM 19925 H1 TIP3 6766 89.544 55.627 -15.014 1.00 0.00 WT1 H ATOM 19926 H2 TIP3 6766 89.879 56.940 -15.690 1.00 0.00 WT1 H ATOM 19927 OH2 TIP3 6767 80.108 62.968 58.737 1.00 0.00 WT1 O ATOM 19928 H1 TIP3 6767 79.872 62.263 59.340 1.00 0.00 WT1 H ATOM 19929 H2 TIP3 6767 80.079 62.561 57.870 1.00 0.00 WT1 H ATOM 19930 OH2 TIP3 6768 58.748 14.221 5.593 1.00 0.00 WT1 O ATOM 19931 H1 TIP3 6768 57.849 14.498 5.769 1.00 0.00 WT1 H ATOM 19932 H2 TIP3 6768 59.159 14.178 6.456 1.00 0.00 WT1 H ATOM 19933 OH2 TIP3 6769 63.397 12.439 66.531 1.00 0.00 WT1 O ATOM 19934 H1 TIP3 6769 62.892 12.532 67.339 1.00 0.00 WT1 H ATOM 19935 H2 TIP3 6769 63.678 11.524 66.528 1.00 0.00 WT1 H ATOM 19936 OH2 TIP3 6770 57.637 24.528 -18.750 1.00 0.00 WT1 O ATOM 19937 H1 TIP3 6770 57.275 25.243 -18.227 1.00 0.00 WT1 H ATOM 19938 H2 TIP3 6770 57.987 23.913 -18.106 1.00 0.00 WT1 H ATOM 19939 OH2 TIP3 6771 65.335 79.275 19.021 1.00 0.00 WT1 O ATOM 19940 H1 TIP3 6771 64.847 78.604 18.544 1.00 0.00 WT1 H ATOM 19941 H2 TIP3 6771 66.244 79.150 18.748 1.00 0.00 WT1 H ATOM 19942 OH2 TIP3 6772 81.493 23.600 -17.093 1.00 0.00 WT1 O ATOM 19943 H1 TIP3 6772 81.003 23.891 -17.862 1.00 0.00 WT1 H ATOM 19944 H2 TIP3 6772 82.334 23.304 -17.442 1.00 0.00 WT1 H ATOM 19945 OH2 TIP3 6773 89.696 82.698 3.642 1.00 0.00 WT1 O ATOM 19946 H1 TIP3 6773 90.570 82.614 3.260 1.00 0.00 WT1 H ATOM 19947 H2 TIP3 6773 89.292 81.841 3.507 1.00 0.00 WT1 H ATOM 19948 OH2 TIP3 6775 62.464 7.658 28.430 1.00 0.00 WT1 O ATOM 19949 H1 TIP3 6775 62.570 7.488 27.494 1.00 0.00 WT1 H ATOM 19950 H2 TIP3 6775 63.314 7.996 28.711 1.00 0.00 WT1 H ATOM 19951 OH2 TIP3 6776 70.387 28.064 -19.650 1.00 0.00 WT1 O ATOM 19952 H1 TIP3 6776 70.140 28.303 -18.757 1.00 0.00 WT1 H ATOM 19953 H2 TIP3 6776 69.566 28.086 -20.141 1.00 0.00 WT1 H ATOM 19954 OH2 TIP3 6777 61.592 1.710 -0.114 1.00 0.00 WT1 O ATOM 19955 H1 TIP3 6777 62.451 1.880 -0.501 1.00 0.00 WT1 H ATOM 19956 H2 TIP3 6777 61.786 1.289 0.723 1.00 0.00 WT1 H ATOM 19957 OH2 TIP3 6778 76.335 90.323 33.275 1.00 0.00 WT1 O ATOM 19958 H1 TIP3 6778 75.545 89.811 33.450 1.00 0.00 WT1 H ATOM 19959 H2 TIP3 6778 76.017 91.117 32.845 1.00 0.00 WT1 H ATOM 19960 OH2 TIP3 6779 27.117 93.753 -15.009 1.00 0.00 WT1 O ATOM 19961 H1 TIP3 6779 27.420 93.403 -14.171 1.00 0.00 WT1 H ATOM 19962 H2 TIP3 6779 27.641 93.292 -15.665 1.00 0.00 WT1 H ATOM 19963 OH2 TIP3 6780 30.896 3.767 -3.497 1.00 0.00 WT1 O ATOM 19964 H1 TIP3 6780 31.808 3.874 -3.768 1.00 0.00 WT1 H ATOM 19965 H2 TIP3 6780 30.758 2.820 -3.492 1.00 0.00 WT1 H ATOM 19966 OH2 TIP3 6781 76.708 32.835 38.577 1.00 0.00 WT1 O ATOM 19967 H1 TIP3 6781 77.485 32.378 38.899 1.00 0.00 WT1 H ATOM 19968 H2 TIP3 6781 76.291 33.183 39.365 1.00 0.00 WT1 H ATOM 19969 OH2 TIP3 6782 85.003 11.039 37.836 1.00 0.00 WT1 O ATOM 19970 H1 TIP3 6782 84.091 10.917 37.573 1.00 0.00 WT1 H ATOM 19971 H2 TIP3 6782 85.228 11.916 37.525 1.00 0.00 WT1 H ATOM 19972 OH2 TIP3 6783 53.229 89.965 16.235 1.00 0.00 WT1 O ATOM 19973 H1 TIP3 6783 53.273 89.103 15.821 1.00 0.00 WT1 H ATOM 19974 H2 TIP3 6783 53.002 89.782 17.147 1.00 0.00 WT1 H ATOM 19975 OH2 TIP3 6784 73.805 19.635 -2.342 1.00 0.00 WT1 O ATOM 19976 H1 TIP3 6784 73.555 19.031 -1.642 1.00 0.00 WT1 H ATOM 19977 H2 TIP3 6784 74.732 19.813 -2.185 1.00 0.00 WT1 H ATOM 19978 OH2 TIP3 6785 23.383 31.269 46.946 1.00 0.00 WT1 O ATOM 19979 H1 TIP3 6785 23.437 32.091 46.460 1.00 0.00 WT1 H ATOM 19980 H2 TIP3 6785 24.250 30.875 46.849 1.00 0.00 WT1 H ATOM 19981 OH2 TIP3 6786 76.489 47.542 27.280 1.00 0.00 WT1 O ATOM 19982 H1 TIP3 6786 76.984 48.240 27.709 1.00 0.00 WT1 H ATOM 19983 H2 TIP3 6786 75.573 47.753 27.460 1.00 0.00 WT1 H ATOM 19984 OH2 TIP3 6787 65.926 77.836 55.334 1.00 0.00 WT1 O ATOM 19985 H1 TIP3 6787 65.733 77.378 56.152 1.00 0.00 WT1 H ATOM 19986 H2 TIP3 6787 65.915 77.150 54.667 1.00 0.00 WT1 H ATOM 19987 OH2 TIP3 6788 89.241 28.045 60.690 1.00 0.00 WT1 O ATOM 19988 H1 TIP3 6788 89.516 27.205 61.059 1.00 0.00 WT1 H ATOM 19989 H2 TIP3 6788 89.480 27.991 59.765 1.00 0.00 WT1 H ATOM 19990 OH2 TIP3 6789 80.532 36.080 19.389 1.00 0.00 WT1 O ATOM 19991 H1 TIP3 6789 79.719 35.576 19.357 1.00 0.00 WT1 H ATOM 19992 H2 TIP3 6789 80.247 36.993 19.411 1.00 0.00 WT1 H ATOM 19993 OH2 TIP3 6790 75.667 65.614 -10.054 1.00 0.00 WT1 O ATOM 19994 H1 TIP3 6790 75.593 66.519 -9.750 1.00 0.00 WT1 H ATOM 19995 H2 TIP3 6790 75.586 65.087 -9.259 1.00 0.00 WT1 H ATOM 19996 OH2 TIP3 6791 79.247 10.482 65.972 1.00 0.00 WT1 O ATOM 19997 H1 TIP3 6791 78.818 9.847 66.545 1.00 0.00 WT1 H ATOM 19998 H2 TIP3 6791 79.478 9.982 65.189 1.00 0.00 WT1 H ATOM 19999 OH2 TIP3 6792 32.678 35.894 -7.639 1.00 0.00 WT1 O ATOM 20000 H1 TIP3 6792 32.529 36.821 -7.452 1.00 0.00 WT1 H ATOM 20001 H2 TIP3 6792 33.215 35.585 -6.909 1.00 0.00 WT1 H ATOM 20002 OH2 TIP3 6793 70.815 46.396 -14.381 1.00 0.00 WT1 O ATOM 20003 H1 TIP3 6793 71.078 45.967 -15.195 1.00 0.00 WT1 H ATOM 20004 H2 TIP3 6793 70.944 45.729 -13.706 1.00 0.00 WT1 H ATOM 20005 OH2 TIP3 6794 33.047 28.344 66.395 1.00 0.00 WT1 O ATOM 20006 H1 TIP3 6794 33.277 27.486 66.750 1.00 0.00 WT1 H ATOM 20007 H2 TIP3 6794 33.421 28.969 67.015 1.00 0.00 WT1 H ATOM 20008 OH2 TIP3 6795 34.135 42.102 13.501 1.00 0.00 WT1 O ATOM 20009 H1 TIP3 6795 35.008 41.825 13.779 1.00 0.00 WT1 H ATOM 20010 H2 TIP3 6795 33.830 42.676 14.203 1.00 0.00 WT1 H ATOM 20011 OH2 TIP3 6798 89.008 37.657 26.049 1.00 0.00 WT1 O ATOM 20012 H1 TIP3 6798 88.263 38.211 26.283 1.00 0.00 WT1 H ATOM 20013 H2 TIP3 6798 89.334 38.026 25.229 1.00 0.00 WT1 H ATOM 20014 OH2 TIP3 6799 50.043 46.695 -15.725 1.00 0.00 WT1 O ATOM 20015 H1 TIP3 6799 49.259 46.154 -15.623 1.00 0.00 WT1 H ATOM 20016 H2 TIP3 6799 50.080 47.216 -14.923 1.00 0.00 WT1 H ATOM 20017 OH2 TIP3 6800 65.744 18.147 42.618 1.00 0.00 WT1 O ATOM 20018 H1 TIP3 6800 66.025 19.060 42.551 1.00 0.00 WT1 H ATOM 20019 H2 TIP3 6800 65.656 17.856 41.711 1.00 0.00 WT1 H ATOM 20020 OH2 TIP3 6801 24.854 70.296 -17.572 1.00 0.00 WT1 O ATOM 20021 H1 TIP3 6801 24.483 70.922 -16.951 1.00 0.00 WT1 H ATOM 20022 H2 TIP3 6801 25.553 69.860 -17.085 1.00 0.00 WT1 H ATOM 20023 OH2 TIP3 6802 55.203 32.555 14.717 1.00 0.00 WT1 O ATOM 20024 H1 TIP3 6802 54.474 32.503 15.337 1.00 0.00 WT1 H ATOM 20025 H2 TIP3 6802 55.272 31.673 14.354 1.00 0.00 WT1 H ATOM 20026 OH2 TIP3 6803 81.480 7.310 -18.559 1.00 0.00 WT1 O ATOM 20027 H1 TIP3 6803 81.856 6.636 -17.993 1.00 0.00 WT1 H ATOM 20028 H2 TIP3 6803 80.556 7.074 -18.633 1.00 0.00 WT1 H ATOM 20029 OH2 TIP3 6804 87.420 26.328 -4.984 1.00 0.00 WT1 O ATOM 20030 H1 TIP3 6804 86.582 25.893 -4.831 1.00 0.00 WT1 H ATOM 20031 H2 TIP3 6804 87.269 27.238 -4.727 1.00 0.00 WT1 H ATOM 20032 OH2 TIP3 6805 75.003 30.302 34.311 1.00 0.00 WT1 O ATOM 20033 H1 TIP3 6805 74.210 29.807 34.106 1.00 0.00 WT1 H ATOM 20034 H2 TIP3 6805 74.848 30.651 35.188 1.00 0.00 WT1 H ATOM 20035 OH2 TIP3 6806 69.189 38.410 15.230 1.00 0.00 WT1 O ATOM 20036 H1 TIP3 6806 69.814 39.128 15.127 1.00 0.00 WT1 H ATOM 20037 H2 TIP3 6806 68.334 38.840 15.268 1.00 0.00 WT1 H ATOM 20038 OH2 TIP3 6807 80.010 42.611 -0.733 1.00 0.00 WT1 O ATOM 20039 H1 TIP3 6807 79.365 43.317 -0.764 1.00 0.00 WT1 H ATOM 20040 H2 TIP3 6807 80.296 42.587 0.180 1.00 0.00 WT1 H ATOM 20041 OH2 TIP3 6808 75.933 14.836 -19.395 1.00 0.00 WT1 O ATOM 20042 H1 TIP3 6808 75.636 14.558 -20.261 1.00 0.00 WT1 H ATOM 20043 H2 TIP3 6808 75.595 14.167 -18.799 1.00 0.00 WT1 H ATOM 20044 OH2 TIP3 6809 90.217 86.882 4.408 1.00 0.00 WT1 O ATOM 20045 H1 TIP3 6809 90.612 86.042 4.640 1.00 0.00 WT1 H ATOM 20046 H2 TIP3 6809 89.324 86.662 4.143 1.00 0.00 WT1 H ATOM 20047 OH2 TIP3 6810 61.183 22.214 33.859 1.00 0.00 WT1 O ATOM 20048 H1 TIP3 6810 61.942 22.783 33.983 1.00 0.00 WT1 H ATOM 20049 H2 TIP3 6810 61.506 21.336 34.062 1.00 0.00 WT1 H ATOM 20050 OH2 TIP3 6811 55.442 57.254 64.621 1.00 0.00 WT1 O ATOM 20051 H1 TIP3 6811 55.245 56.317 64.638 1.00 0.00 WT1 H ATOM 20052 H2 TIP3 6811 54.958 57.614 65.364 1.00 0.00 WT1 H ATOM 20053 OH2 TIP3 6812 77.558 26.170 -2.702 1.00 0.00 WT1 O ATOM 20054 H1 TIP3 6812 77.984 25.315 -2.642 1.00 0.00 WT1 H ATOM 20055 H2 TIP3 6812 77.883 26.543 -3.522 1.00 0.00 WT1 H ATOM 20056 OH2 TIP3 6813 25.916 46.023 -18.911 1.00 0.00 WT1 O ATOM 20057 H1 TIP3 6813 26.480 46.342 -19.615 1.00 0.00 WT1 H ATOM 20058 H2 TIP3 6813 25.972 45.069 -18.972 1.00 0.00 WT1 H ATOM 20059 OH2 TIP3 6814 59.895 45.627 49.029 1.00 0.00 WT1 O ATOM 20060 H1 TIP3 6814 60.318 44.964 49.574 1.00 0.00 WT1 H ATOM 20061 H2 TIP3 6814 59.682 45.168 48.216 1.00 0.00 WT1 H ATOM 20062 OH2 TIP3 6817 59.255 89.551 21.233 1.00 0.00 WT1 O ATOM 20063 H1 TIP3 6817 60.191 89.383 21.347 1.00 0.00 WT1 H ATOM 20064 H2 TIP3 6817 58.923 89.674 22.122 1.00 0.00 WT1 H ATOM 20065 OH2 TIP3 6818 34.443 55.242 -19.327 1.00 0.00 WT1 O ATOM 20066 H1 TIP3 6818 34.885 56.037 -19.027 1.00 0.00 WT1 H ATOM 20067 H2 TIP3 6818 34.628 54.594 -18.647 1.00 0.00 WT1 H ATOM 20068 OH2 TIP3 6819 53.918 7.853 39.654 1.00 0.00 WT1 O ATOM 20069 H1 TIP3 6819 53.810 7.687 38.718 1.00 0.00 WT1 H ATOM 20070 H2 TIP3 6819 54.084 8.794 39.713 1.00 0.00 WT1 H ATOM 20071 OH2 TIP3 6820 54.774 14.749 47.082 1.00 0.00 WT1 O ATOM 20072 H1 TIP3 6820 54.215 13.975 47.010 1.00 0.00 WT1 H ATOM 20073 H2 TIP3 6820 55.617 14.471 46.724 1.00 0.00 WT1 H ATOM 20074 OH2 TIP3 6822 41.689 57.258 10.922 1.00 0.00 WT1 O ATOM 20075 H1 TIP3 6822 42.124 57.690 11.658 1.00 0.00 WT1 H ATOM 20076 H2 TIP3 6822 42.199 56.460 10.778 1.00 0.00 WT1 H ATOM 20077 OH2 TIP3 6823 32.658 39.649 -12.749 1.00 0.00 WT1 O ATOM 20078 H1 TIP3 6823 32.891 39.115 -11.989 1.00 0.00 WT1 H ATOM 20079 H2 TIP3 6823 33.063 40.500 -12.577 1.00 0.00 WT1 H ATOM 20080 OH2 TIP3 6824 56.044 23.144 63.008 1.00 0.00 WT1 O ATOM 20081 H1 TIP3 6824 56.497 22.744 63.750 1.00 0.00 WT1 H ATOM 20082 H2 TIP3 6824 55.417 23.747 63.407 1.00 0.00 WT1 H ATOM 20083 OH2 TIP3 6825 48.854 4.210 40.037 1.00 0.00 WT1 O ATOM 20084 H1 TIP3 6825 48.367 3.417 39.812 1.00 0.00 WT1 H ATOM 20085 H2 TIP3 6825 49.309 3.991 40.850 1.00 0.00 WT1 H ATOM 20086 OH2 TIP3 6826 32.968 19.036 41.092 1.00 0.00 WT1 O ATOM 20087 H1 TIP3 6826 33.880 18.786 40.945 1.00 0.00 WT1 H ATOM 20088 H2 TIP3 6826 32.924 19.954 40.827 1.00 0.00 WT1 H ATOM 20089 OH2 TIP3 6827 77.675 83.916 44.156 1.00 0.00 WT1 O ATOM 20090 H1 TIP3 6827 77.672 82.963 44.074 1.00 0.00 WT1 H ATOM 20091 H2 TIP3 6827 78.438 84.107 44.703 1.00 0.00 WT1 H ATOM 20092 OH2 TIP3 6828 81.067 43.489 4.952 1.00 0.00 WT1 O ATOM 20093 H1 TIP3 6828 81.309 44.415 4.994 1.00 0.00 WT1 H ATOM 20094 H2 TIP3 6828 81.901 43.027 4.870 1.00 0.00 WT1 H ATOM 20095 OH2 TIP3 6829 79.506 75.530 -10.540 1.00 0.00 WT1 O ATOM 20096 H1 TIP3 6829 79.861 76.340 -10.173 1.00 0.00 WT1 H ATOM 20097 H2 TIP3 6829 80.215 75.180 -11.080 1.00 0.00 WT1 H ATOM 20098 OH2 TIP3 6831 64.051 10.326 15.160 1.00 0.00 WT1 O ATOM 20099 H1 TIP3 6831 63.203 10.210 14.733 1.00 0.00 WT1 H ATOM 20100 H2 TIP3 6831 63.902 10.058 16.067 1.00 0.00 WT1 H ATOM 20101 OH2 TIP3 6832 73.744 31.507 52.791 1.00 0.00 WT1 O ATOM 20102 H1 TIP3 6832 73.480 31.516 51.871 1.00 0.00 WT1 H ATOM 20103 H2 TIP3 6832 74.621 31.124 52.786 1.00 0.00 WT1 H ATOM 20104 OH2 TIP3 6833 71.815 55.023 10.913 1.00 0.00 WT1 O ATOM 20105 H1 TIP3 6833 71.881 54.068 10.939 1.00 0.00 WT1 H ATOM 20106 H2 TIP3 6833 72.249 55.315 11.715 1.00 0.00 WT1 H ATOM 20107 OH2 TIP3 6834 38.990 32.964 -7.043 1.00 0.00 WT1 O ATOM 20108 H1 TIP3 6834 39.021 33.195 -7.971 1.00 0.00 WT1 H ATOM 20109 H2 TIP3 6834 38.734 33.774 -6.602 1.00 0.00 WT1 H ATOM 20110 OH2 TIP3 6836 48.317 22.152 -4.286 1.00 0.00 WT1 O ATOM 20111 H1 TIP3 6836 47.639 21.550 -4.592 1.00 0.00 WT1 H ATOM 20112 H2 TIP3 6836 48.955 21.590 -3.846 1.00 0.00 WT1 H ATOM 20113 OH2 TIP3 6837 44.631 12.430 44.987 1.00 0.00 WT1 O ATOM 20114 H1 TIP3 6837 44.724 12.177 44.068 1.00 0.00 WT1 H ATOM 20115 H2 TIP3 6837 44.314 13.332 44.957 1.00 0.00 WT1 H ATOM 20116 OH2 TIP3 6838 76.303 51.839 2.055 1.00 0.00 WT1 O ATOM 20117 H1 TIP3 6838 75.937 50.984 1.827 1.00 0.00 WT1 H ATOM 20118 H2 TIP3 6838 75.676 52.209 2.677 1.00 0.00 WT1 H ATOM 20119 OH2 TIP3 6839 46.111 26.205 54.826 1.00 0.00 WT1 O ATOM 20120 H1 TIP3 6839 46.264 27.148 54.770 1.00 0.00 WT1 H ATOM 20121 H2 TIP3 6839 45.234 26.126 55.201 1.00 0.00 WT1 H ATOM 20122 OH2 TIP3 6840 84.090 66.737 -16.180 1.00 0.00 WT1 O ATOM 20123 H1 TIP3 6840 83.272 67.113 -16.506 1.00 0.00 WT1 H ATOM 20124 H2 TIP3 6840 84.239 67.177 -15.343 1.00 0.00 WT1 H ATOM 20125 OH2 TIP3 6841 59.910 45.753 63.505 1.00 0.00 WT1 O ATOM 20126 H1 TIP3 6841 59.222 46.318 63.858 1.00 0.00 WT1 H ATOM 20127 H2 TIP3 6841 60.725 46.136 63.830 1.00 0.00 WT1 H ATOM 20128 OH2 TIP3 6842 51.904 18.276 23.569 1.00 0.00 WT1 O ATOM 20129 H1 TIP3 6842 51.394 18.135 24.366 1.00 0.00 WT1 H ATOM 20130 H2 TIP3 6842 51.842 19.218 23.409 1.00 0.00 WT1 H ATOM 20131 OH2 TIP3 6843 83.797 11.626 3.735 1.00 0.00 WT1 O ATOM 20132 H1 TIP3 6843 83.521 11.922 4.602 1.00 0.00 WT1 H ATOM 20133 H2 TIP3 6843 84.754 11.636 3.772 1.00 0.00 WT1 H ATOM 20134 OH2 TIP3 6844 25.967 94.117 36.688 1.00 0.00 WT1 O ATOM 20135 H1 TIP3 6844 26.429 94.263 35.862 1.00 0.00 WT1 H ATOM 20136 H2 TIP3 6844 25.047 94.281 36.480 1.00 0.00 WT1 H ATOM 20137 OH2 TIP3 6845 20.614 33.489 23.043 1.00 0.00 WT1 O ATOM 20138 H1 TIP3 6845 20.018 33.594 23.785 1.00 0.00 WT1 H ATOM 20139 H2 TIP3 6845 21.393 33.076 23.417 1.00 0.00 WT1 H ATOM 20140 OH2 TIP3 6846 41.217 69.320 11.247 1.00 0.00 WT1 O ATOM 20141 H1 TIP3 6846 41.759 70.017 11.615 1.00 0.00 WT1 H ATOM 20142 H2 TIP3 6846 41.758 68.533 11.316 1.00 0.00 WT1 H ATOM 20143 OH2 TIP3 6847 89.970 8.119 46.009 1.00 0.00 WT1 O ATOM 20144 H1 TIP3 6847 90.587 7.926 45.302 1.00 0.00 WT1 H ATOM 20145 H2 TIP3 6847 89.559 7.277 46.205 1.00 0.00 WT1 H ATOM 20146 OH2 TIP3 6848 63.786 33.639 12.909 1.00 0.00 WT1 O ATOM 20147 H1 TIP3 6848 63.992 33.414 12.002 1.00 0.00 WT1 H ATOM 20148 H2 TIP3 6848 62.831 33.691 12.933 1.00 0.00 WT1 H ATOM 20149 OH2 TIP3 6849 54.564 53.273 55.887 1.00 0.00 WT1 O ATOM 20150 H1 TIP3 6849 54.004 53.146 55.121 1.00 0.00 WT1 H ATOM 20151 H2 TIP3 6849 54.179 54.022 56.343 1.00 0.00 WT1 H ATOM 20152 OH2 TIP3 6850 54.178 58.526 67.059 1.00 0.00 WT1 O ATOM 20153 H1 TIP3 6850 53.537 59.192 66.809 1.00 0.00 WT1 H ATOM 20154 H2 TIP3 6850 53.652 57.756 67.275 1.00 0.00 WT1 H ATOM 20155 OH2 TIP3 6851 88.262 34.378 60.424 1.00 0.00 WT1 O ATOM 20156 H1 TIP3 6851 89.158 34.535 60.723 1.00 0.00 WT1 H ATOM 20157 H2 TIP3 6851 87.712 34.805 61.080 1.00 0.00 WT1 H ATOM 20158 OH2 TIP3 6852 34.085 50.518 3.897 1.00 0.00 WT1 O ATOM 20159 H1 TIP3 6852 34.995 50.776 3.747 1.00 0.00 WT1 H ATOM 20160 H2 TIP3 6852 34.145 49.710 4.406 1.00 0.00 WT1 H ATOM 20161 OH2 TIP3 6853 74.063 96.227 14.306 1.00 0.00 WT1 O ATOM 20162 H1 TIP3 6853 74.628 95.695 14.868 1.00 0.00 WT1 H ATOM 20163 H2 TIP3 6853 74.482 96.195 13.446 1.00 0.00 WT1 H ATOM 20164 OH2 TIP3 6854 64.371 20.184 18.686 1.00 0.00 WT1 O ATOM 20165 H1 TIP3 6854 63.698 20.712 18.256 1.00 0.00 WT1 H ATOM 20166 H2 TIP3 6854 64.634 20.703 19.446 1.00 0.00 WT1 H ATOM 20167 OH2 TIP3 6855 51.330 60.592 8.791 1.00 0.00 WT1 O ATOM 20168 H1 TIP3 6855 51.721 61.448 8.617 1.00 0.00 WT1 H ATOM 20169 H2 TIP3 6855 51.828 60.246 9.531 1.00 0.00 WT1 H ATOM 20170 OH2 TIP3 6857 23.623 51.355 35.344 1.00 0.00 WT1 O ATOM 20171 H1 TIP3 6857 23.639 51.638 34.430 1.00 0.00 WT1 H ATOM 20172 H2 TIP3 6857 23.204 50.495 35.322 1.00 0.00 WT1 H ATOM 20173 OH2 TIP3 6858 70.231 20.988 29.955 1.00 0.00 WT1 O ATOM 20174 H1 TIP3 6858 69.628 20.926 29.214 1.00 0.00 WT1 H ATOM 20175 H2 TIP3 6858 70.916 21.587 29.658 1.00 0.00 WT1 H ATOM 20176 OH2 TIP3 6859 79.732 69.711 41.328 1.00 0.00 WT1 O ATOM 20177 H1 TIP3 6859 80.482 69.617 40.741 1.00 0.00 WT1 H ATOM 20178 H2 TIP3 6859 79.068 69.126 40.965 1.00 0.00 WT1 H ATOM 20179 OH2 TIP3 6860 74.485 28.937 42.265 1.00 0.00 WT1 O ATOM 20180 H1 TIP3 6860 74.174 29.830 42.410 1.00 0.00 WT1 H ATOM 20181 H2 TIP3 6860 73.902 28.586 41.592 1.00 0.00 WT1 H ATOM 20182 OH2 TIP3 6861 75.030 53.067 20.195 1.00 0.00 WT1 O ATOM 20183 H1 TIP3 6861 74.445 53.485 19.564 1.00 0.00 WT1 H ATOM 20184 H2 TIP3 6861 75.685 53.736 20.395 1.00 0.00 WT1 H ATOM 20185 OH2 TIP3 6862 74.662 36.261 39.046 1.00 0.00 WT1 O ATOM 20186 H1 TIP3 6862 74.198 37.084 39.199 1.00 0.00 WT1 H ATOM 20187 H2 TIP3 6862 75.164 36.116 39.848 1.00 0.00 WT1 H ATOM 20188 OH2 TIP3 6863 38.962 91.282 -18.478 1.00 0.00 WT1 O ATOM 20189 H1 TIP3 6863 38.612 90.628 -19.084 1.00 0.00 WT1 H ATOM 20190 H2 TIP3 6863 38.458 91.159 -17.674 1.00 0.00 WT1 H ATOM 20191 OH2 TIP3 6864 59.177 14.557 8.204 1.00 0.00 WT1 O ATOM 20192 H1 TIP3 6864 58.560 13.846 8.378 1.00 0.00 WT1 H ATOM 20193 H2 TIP3 6864 59.976 14.299 8.664 1.00 0.00 WT1 H ATOM 20194 OH2 TIP3 6865 83.602 64.345 31.179 1.00 0.00 WT1 O ATOM 20195 H1 TIP3 6865 83.972 65.066 30.670 1.00 0.00 WT1 H ATOM 20196 H2 TIP3 6865 83.133 63.813 30.536 1.00 0.00 WT1 H ATOM 20197 OH2 TIP3 6866 53.277 72.756 2.851 1.00 0.00 WT1 O ATOM 20198 H1 TIP3 6866 53.945 72.129 3.130 1.00 0.00 WT1 H ATOM 20199 H2 TIP3 6866 53.039 73.224 3.652 1.00 0.00 WT1 H ATOM 20200 OH2 TIP3 6867 30.485 4.205 32.453 1.00 0.00 WT1 O ATOM 20201 H1 TIP3 6867 29.550 4.109 32.637 1.00 0.00 WT1 H ATOM 20202 H2 TIP3 6867 30.527 4.392 31.515 1.00 0.00 WT1 H ATOM 20203 OH2 TIP3 6868 74.191 32.388 60.061 1.00 0.00 WT1 O ATOM 20204 H1 TIP3 6868 73.871 31.528 59.792 1.00 0.00 WT1 H ATOM 20205 H2 TIP3 6868 74.584 32.240 60.922 1.00 0.00 WT1 H ATOM 20206 OH2 TIP3 6869 22.600 48.338 16.265 1.00 0.00 WT1 O ATOM 20207 H1 TIP3 6869 22.533 48.376 17.219 1.00 0.00 WT1 H ATOM 20208 H2 TIP3 6869 22.556 49.252 15.984 1.00 0.00 WT1 H ATOM 20209 OH2 TIP3 6870 31.304 93.890 63.451 1.00 0.00 WT1 O ATOM 20210 H1 TIP3 6870 30.828 94.017 64.272 1.00 0.00 WT1 H ATOM 20211 H2 TIP3 6870 30.692 94.174 62.773 1.00 0.00 WT1 H ATOM 20212 OH2 TIP3 6872 36.093 26.584 22.390 1.00 0.00 WT1 O ATOM 20213 H1 TIP3 6872 36.128 27.274 21.727 1.00 0.00 WT1 H ATOM 20214 H2 TIP3 6872 36.505 25.828 21.972 1.00 0.00 WT1 H ATOM 20215 OH2 TIP3 6873 62.498 46.195 16.297 1.00 0.00 WT1 O ATOM 20216 H1 TIP3 6873 62.505 47.039 16.748 1.00 0.00 WT1 H ATOM 20217 H2 TIP3 6873 61.588 45.903 16.348 1.00 0.00 WT1 H ATOM 20218 OH2 TIP3 6874 89.503 81.275 0.252 1.00 0.00 WT1 O ATOM 20219 H1 TIP3 6874 90.336 81.677 0.008 1.00 0.00 WT1 H ATOM 20220 H2 TIP3 6874 89.745 80.428 0.626 1.00 0.00 WT1 H ATOM 20221 OH2 TIP3 6875 22.461 47.334 13.408 1.00 0.00 WT1 O ATOM 20222 H1 TIP3 6875 23.036 47.947 13.866 1.00 0.00 WT1 H ATOM 20223 H2 TIP3 6875 22.208 46.697 14.076 1.00 0.00 WT1 H ATOM 20224 OH2 TIP3 6878 52.423 18.964 64.327 1.00 0.00 WT1 O ATOM 20225 H1 TIP3 6878 51.787 18.751 63.645 1.00 0.00 WT1 H ATOM 20226 H2 TIP3 6878 52.708 19.854 64.120 1.00 0.00 WT1 H ATOM 20227 OH2 TIP3 6879 55.763 27.769 66.712 1.00 0.00 WT1 O ATOM 20228 H1 TIP3 6879 56.357 27.811 67.462 1.00 0.00 WT1 H ATOM 20229 H2 TIP3 6879 56.300 27.422 66.000 1.00 0.00 WT1 H ATOM 20230 OH2 TIP3 6880 56.161 7.957 45.424 1.00 0.00 WT1 O ATOM 20231 H1 TIP3 6880 56.773 8.672 45.251 1.00 0.00 WT1 H ATOM 20232 H2 TIP3 6880 55.607 8.281 46.134 1.00 0.00 WT1 H ATOM 20233 OH2 TIP3 6883 28.396 84.417 43.002 1.00 0.00 WT1 O ATOM 20234 H1 TIP3 6883 29.354 84.415 42.991 1.00 0.00 WT1 H ATOM 20235 H2 TIP3 6883 28.150 83.575 42.620 1.00 0.00 WT1 H ATOM 20236 OH2 TIP3 6884 34.812 77.553 41.735 1.00 0.00 WT1 O ATOM 20237 H1 TIP3 6884 34.328 76.775 41.459 1.00 0.00 WT1 H ATOM 20238 H2 TIP3 6884 35.708 77.244 41.868 1.00 0.00 WT1 H ATOM 20239 OH2 TIP3 6886 75.777 38.392 26.237 1.00 0.00 WT1 O ATOM 20240 H1 TIP3 6886 75.337 38.916 26.906 1.00 0.00 WT1 H ATOM 20241 H2 TIP3 6886 75.538 38.810 25.410 1.00 0.00 WT1 H ATOM 20242 OH2 TIP3 6887 77.704 54.092 3.307 1.00 0.00 WT1 O ATOM 20243 H1 TIP3 6887 76.953 53.498 3.319 1.00 0.00 WT1 H ATOM 20244 H2 TIP3 6887 77.415 54.854 3.809 1.00 0.00 WT1 H ATOM 20245 OH2 TIP3 6888 52.846 15.785 4.184 1.00 0.00 WT1 O ATOM 20246 H1 TIP3 6888 53.356 15.421 3.460 1.00 0.00 WT1 H ATOM 20247 H2 TIP3 6888 52.905 16.733 4.066 1.00 0.00 WT1 H ATOM 20248 OH2 TIP3 6889 39.425 56.892 12.804 1.00 0.00 WT1 O ATOM 20249 H1 TIP3 6889 40.067 57.189 12.159 1.00 0.00 WT1 H ATOM 20250 H2 TIP3 6889 39.806 57.129 13.649 1.00 0.00 WT1 H ATOM 20251 OH2 TIP3 6890 79.359 48.984 21.785 1.00 0.00 WT1 O ATOM 20252 H1 TIP3 6890 78.442 48.887 21.528 1.00 0.00 WT1 H ATOM 20253 H2 TIP3 6890 79.547 48.202 22.304 1.00 0.00 WT1 H ATOM 20254 OH2 TIP3 6891 49.180 76.964 -1.797 1.00 0.00 WT1 O ATOM 20255 H1 TIP3 6891 49.228 76.046 -2.065 1.00 0.00 WT1 H ATOM 20256 H2 TIP3 6891 50.043 77.152 -1.428 1.00 0.00 WT1 H ATOM 20257 OH2 TIP3 6892 44.961 5.254 -12.780 1.00 0.00 WT1 O ATOM 20258 H1 TIP3 6892 44.234 5.876 -12.800 1.00 0.00 WT1 H ATOM 20259 H2 TIP3 6892 45.488 5.474 -13.548 1.00 0.00 WT1 H ATOM 20260 OH2 TIP3 6893 58.042 19.951 60.082 1.00 0.00 WT1 O ATOM 20261 H1 TIP3 6893 57.960 19.298 59.386 1.00 0.00 WT1 H ATOM 20262 H2 TIP3 6893 57.262 19.824 60.623 1.00 0.00 WT1 H ATOM 20263 OH2 TIP3 6894 59.769 45.705 16.182 1.00 0.00 WT1 O ATOM 20264 H1 TIP3 6894 59.747 44.854 15.744 1.00 0.00 WT1 H ATOM 20265 H2 TIP3 6894 58.944 45.748 16.666 1.00 0.00 WT1 H ATOM 20266 OH2 TIP3 6895 22.909 22.697 67.301 1.00 0.00 WT1 O ATOM 20267 H1 TIP3 6895 23.332 22.450 66.479 1.00 0.00 WT1 H ATOM 20268 H2 TIP3 6895 23.328 23.522 67.548 1.00 0.00 WT1 H ATOM 20269 OH2 TIP3 6896 37.065 36.651 52.984 1.00 0.00 WT1 O ATOM 20270 H1 TIP3 6896 37.043 36.604 52.029 1.00 0.00 WT1 H ATOM 20271 H2 TIP3 6896 36.682 35.823 53.275 1.00 0.00 WT1 H ATOM 20272 OH2 TIP3 6897 73.402 49.689 29.410 1.00 0.00 WT1 O ATOM 20273 H1 TIP3 6897 73.288 49.825 28.469 1.00 0.00 WT1 H ATOM 20274 H2 TIP3 6897 72.681 50.175 29.811 1.00 0.00 WT1 H ATOM 20275 OH2 TIP3 6898 43.060 40.272 19.686 1.00 0.00 WT1 O ATOM 20276 H1 TIP3 6898 42.757 39.383 19.501 1.00 0.00 WT1 H ATOM 20277 H2 TIP3 6898 43.630 40.178 20.449 1.00 0.00 WT1 H ATOM 20278 OH2 TIP3 6899 42.203 50.461 53.986 1.00 0.00 WT1 O ATOM 20279 H1 TIP3 6899 42.103 49.879 53.233 1.00 0.00 WT1 H ATOM 20280 H2 TIP3 6899 42.415 51.313 53.605 1.00 0.00 WT1 H ATOM 20281 OH2 TIP3 6900 81.633 36.339 24.684 1.00 0.00 WT1 O ATOM 20282 H1 TIP3 6900 81.193 36.238 23.841 1.00 0.00 WT1 H ATOM 20283 H2 TIP3 6900 82.059 35.495 24.835 1.00 0.00 WT1 H ATOM 20284 OH2 TIP3 6902 53.922 50.191 25.151 1.00 0.00 WT1 O ATOM 20285 H1 TIP3 6902 53.742 50.404 24.235 1.00 0.00 WT1 H ATOM 20286 H2 TIP3 6902 54.826 50.473 25.290 1.00 0.00 WT1 H ATOM 20287 OH2 TIP3 6903 86.797 50.491 22.768 1.00 0.00 WT1 O ATOM 20288 H1 TIP3 6903 86.219 49.885 23.233 1.00 0.00 WT1 H ATOM 20289 H2 TIP3 6903 86.203 51.076 22.297 1.00 0.00 WT1 H ATOM 20290 OH2 TIP3 6905 71.598 91.522 56.280 1.00 0.00 WT1 O ATOM 20291 H1 TIP3 6905 71.819 92.198 56.922 1.00 0.00 WT1 H ATOM 20292 H2 TIP3 6905 71.739 90.697 56.743 1.00 0.00 WT1 H ATOM 20293 OH2 TIP3 6906 55.433 21.880 47.840 1.00 0.00 WT1 O ATOM 20294 H1 TIP3 6906 55.528 21.069 47.340 1.00 0.00 WT1 H ATOM 20295 H2 TIP3 6906 54.770 21.679 48.500 1.00 0.00 WT1 H ATOM 20296 OH2 TIP3 6907 25.606 66.970 26.514 1.00 0.00 WT1 O ATOM 20297 H1 TIP3 6907 26.135 66.817 27.297 1.00 0.00 WT1 H ATOM 20298 H2 TIP3 6907 25.470 66.099 26.142 1.00 0.00 WT1 H ATOM 20299 OH2 TIP3 6908 62.339 34.184 6.567 1.00 0.00 WT1 O ATOM 20300 H1 TIP3 6908 62.683 35.076 6.535 1.00 0.00 WT1 H ATOM 20301 H2 TIP3 6908 62.068 34.063 7.477 1.00 0.00 WT1 H ATOM 20302 OH2 TIP3 6909 60.676 87.362 -9.067 1.00 0.00 WT1 O ATOM 20303 H1 TIP3 6909 61.295 86.997 -8.435 1.00 0.00 WT1 H ATOM 20304 H2 TIP3 6909 59.821 87.049 -8.773 1.00 0.00 WT1 H ATOM 20305 OH2 TIP3 6910 77.422 76.103 -17.396 1.00 0.00 WT1 O ATOM 20306 H1 TIP3 6910 77.159 76.797 -18.000 1.00 0.00 WT1 H ATOM 20307 H2 TIP3 6910 78.339 75.932 -17.611 1.00 0.00 WT1 H ATOM 20308 OH2 TIP3 6911 32.962 79.055 -0.267 1.00 0.00 WT1 O ATOM 20309 H1 TIP3 6911 33.431 78.352 -0.716 1.00 0.00 WT1 H ATOM 20310 H2 TIP3 6911 33.547 79.319 0.443 1.00 0.00 WT1 H ATOM 20311 OH2 TIP3 6912 55.659 11.378 33.466 1.00 0.00 WT1 O ATOM 20312 H1 TIP3 6912 55.524 11.879 34.271 1.00 0.00 WT1 H ATOM 20313 H2 TIP3 6912 54.856 10.867 33.364 1.00 0.00 WT1 H ATOM 20314 OH2 TIP3 6913 77.951 74.616 10.062 1.00 0.00 WT1 O ATOM 20315 H1 TIP3 6913 77.595 74.553 10.948 1.00 0.00 WT1 H ATOM 20316 H2 TIP3 6913 77.209 74.420 9.490 1.00 0.00 WT1 H ATOM 20317 OH2 TIP3 6914 68.750 75.754 39.073 1.00 0.00 WT1 O ATOM 20318 H1 TIP3 6914 68.712 76.151 38.203 1.00 0.00 WT1 H ATOM 20319 H2 TIP3 6914 69.665 75.849 39.340 1.00 0.00 WT1 H ATOM 20320 OH2 TIP3 6915 43.441 61.923 -12.836 1.00 0.00 WT1 O ATOM 20321 H1 TIP3 6915 43.386 62.391 -12.002 1.00 0.00 WT1 H ATOM 20322 H2 TIP3 6915 42.657 61.374 -12.855 1.00 0.00 WT1 H ATOM 20323 OH2 TIP3 6916 48.429 29.838 -10.925 1.00 0.00 WT1 O ATOM 20324 H1 TIP3 6916 48.743 28.989 -11.237 1.00 0.00 WT1 H ATOM 20325 H2 TIP3 6916 48.572 29.813 -9.979 1.00 0.00 WT1 H ATOM 20326 OH2 TIP3 6917 56.745 15.452 42.479 1.00 0.00 WT1 O ATOM 20327 H1 TIP3 6917 55.926 14.958 42.445 1.00 0.00 WT1 H ATOM 20328 H2 TIP3 6917 56.661 16.103 41.782 1.00 0.00 WT1 H ATOM 20329 OH2 TIP3 6919 25.159 34.943 -18.573 1.00 0.00 WT1 O ATOM 20330 H1 TIP3 6919 24.745 35.067 -17.719 1.00 0.00 WT1 H ATOM 20331 H2 TIP3 6919 25.176 35.819 -18.960 1.00 0.00 WT1 H ATOM 20332 OH2 TIP3 6920 67.279 57.826 16.451 1.00 0.00 WT1 O ATOM 20333 H1 TIP3 6920 66.474 58.260 16.734 1.00 0.00 WT1 H ATOM 20334 H2 TIP3 6920 67.100 57.551 15.552 1.00 0.00 WT1 H ATOM 20335 OH2 TIP3 6921 87.261 55.964 20.049 1.00 0.00 WT1 O ATOM 20336 H1 TIP3 6921 86.989 56.825 19.732 1.00 0.00 WT1 H ATOM 20337 H2 TIP3 6921 86.850 55.345 19.446 1.00 0.00 WT1 H ATOM 20338 OH2 TIP3 6922 37.827 39.944 3.673 1.00 0.00 WT1 O ATOM 20339 H1 TIP3 6922 37.972 39.031 3.921 1.00 0.00 WT1 H ATOM 20340 H2 TIP3 6922 36.875 40.028 3.615 1.00 0.00 WT1 H ATOM 20341 OH2 TIP3 6923 30.837 48.138 14.752 1.00 0.00 WT1 O ATOM 20342 H1 TIP3 6923 31.289 48.547 14.013 1.00 0.00 WT1 H ATOM 20343 H2 TIP3 6923 31.537 47.906 15.362 1.00 0.00 WT1 H ATOM 20344 OH2 TIP3 6924 37.076 34.199 21.266 1.00 0.00 WT1 O ATOM 20345 H1 TIP3 6924 37.552 34.792 20.684 1.00 0.00 WT1 H ATOM 20346 H2 TIP3 6924 36.490 33.713 20.686 1.00 0.00 WT1 H ATOM 20347 OH2 TIP3 6925 22.563 65.054 54.456 1.00 0.00 WT1 O ATOM 20348 H1 TIP3 6925 22.913 65.246 53.586 1.00 0.00 WT1 H ATOM 20349 H2 TIP3 6925 23.249 64.540 54.883 1.00 0.00 WT1 H ATOM 20350 OH2 TIP3 6927 86.999 51.452 -3.969 1.00 0.00 WT1 O ATOM 20351 H1 TIP3 6927 87.503 51.404 -4.781 1.00 0.00 WT1 H ATOM 20352 H2 TIP3 6927 86.654 50.567 -3.848 1.00 0.00 WT1 H ATOM 20353 OH2 TIP3 6928 67.885 83.492 40.687 1.00 0.00 WT1 O ATOM 20354 H1 TIP3 6928 68.103 83.275 41.593 1.00 0.00 WT1 H ATOM 20355 H2 TIP3 6928 67.107 84.045 40.753 1.00 0.00 WT1 H ATOM 20356 OH2 TIP3 6929 80.460 45.470 62.430 1.00 0.00 WT1 O ATOM 20357 H1 TIP3 6929 79.652 45.367 61.927 1.00 0.00 WT1 H ATOM 20358 H2 TIP3 6929 80.361 46.311 62.875 1.00 0.00 WT1 H ATOM 20359 OH2 TIP3 6930 87.884 27.332 43.635 1.00 0.00 WT1 O ATOM 20360 H1 TIP3 6930 87.480 26.669 44.194 1.00 0.00 WT1 H ATOM 20361 H2 TIP3 6930 88.713 26.942 43.360 1.00 0.00 WT1 H ATOM 20362 OH2 TIP3 6931 39.468 68.237 38.626 1.00 0.00 WT1 O ATOM 20363 H1 TIP3 6931 39.454 69.194 38.637 1.00 0.00 WT1 H ATOM 20364 H2 TIP3 6931 39.825 68.013 37.767 1.00 0.00 WT1 H ATOM 20365 OH2 TIP3 6932 29.713 21.427 50.770 1.00 0.00 WT1 O ATOM 20366 H1 TIP3 6932 30.493 20.880 50.859 1.00 0.00 WT1 H ATOM 20367 H2 TIP3 6932 29.670 21.633 49.836 1.00 0.00 WT1 H ATOM 20368 OH2 TIP3 6933 34.989 28.960 35.823 1.00 0.00 WT1 O ATOM 20369 H1 TIP3 6933 35.915 28.718 35.844 1.00 0.00 WT1 H ATOM 20370 H2 TIP3 6933 34.956 29.737 35.265 1.00 0.00 WT1 H ATOM 20371 OH2 TIP3 6934 88.591 44.327 42.156 1.00 0.00 WT1 O ATOM 20372 H1 TIP3 6934 88.729 44.748 41.307 1.00 0.00 WT1 H ATOM 20373 H2 TIP3 6934 88.591 45.049 42.784 1.00 0.00 WT1 H ATOM 20374 OH2 TIP3 6935 83.762 26.871 57.282 1.00 0.00 WT1 O ATOM 20375 H1 TIP3 6935 82.920 26.493 57.026 1.00 0.00 WT1 H ATOM 20376 H2 TIP3 6935 83.735 26.891 58.238 1.00 0.00 WT1 H ATOM 20377 OH2 TIP3 6936 45.557 66.322 -13.961 1.00 0.00 WT1 O ATOM 20378 H1 TIP3 6936 45.264 65.651 -14.578 1.00 0.00 WT1 H ATOM 20379 H2 TIP3 6936 45.278 67.148 -14.356 1.00 0.00 WT1 H ATOM 20380 OH2 TIP3 6937 39.593 86.463 44.142 1.00 0.00 WT1 O ATOM 20381 H1 TIP3 6937 38.757 86.503 44.605 1.00 0.00 WT1 H ATOM 20382 H2 TIP3 6937 39.370 86.133 43.272 1.00 0.00 WT1 H ATOM 20383 OH2 TIP3 6938 24.291 74.399 -17.495 1.00 0.00 WT1 O ATOM 20384 H1 TIP3 6938 25.245 74.357 -17.434 1.00 0.00 WT1 H ATOM 20385 H2 TIP3 6938 24.114 75.247 -17.903 1.00 0.00 WT1 H ATOM 20386 OH2 TIP3 6940 77.820 67.759 40.903 1.00 0.00 WT1 O ATOM 20387 H1 TIP3 6940 78.058 66.855 40.701 1.00 0.00 WT1 H ATOM 20388 H2 TIP3 6940 77.700 68.173 40.048 1.00 0.00 WT1 H ATOM 20389 OH2 TIP3 6941 60.560 25.751 35.039 1.00 0.00 WT1 O ATOM 20390 H1 TIP3 6941 61.375 26.169 34.762 1.00 0.00 WT1 H ATOM 20391 H2 TIP3 6941 59.971 25.854 34.291 1.00 0.00 WT1 H ATOM 20392 OH2 TIP3 6943 27.446 53.585 15.187 1.00 0.00 WT1 O ATOM 20393 H1 TIP3 6943 27.820 54.258 15.755 1.00 0.00 WT1 H ATOM 20394 H2 TIP3 6943 28.106 53.451 14.507 1.00 0.00 WT1 H ATOM 20395 OH2 TIP3 6944 38.141 7.185 -0.340 1.00 0.00 WT1 O ATOM 20396 H1 TIP3 6944 38.059 6.287 -0.018 1.00 0.00 WT1 H ATOM 20397 H2 TIP3 6944 37.588 7.701 0.247 1.00 0.00 WT1 H ATOM 20398 OH2 TIP3 6945 85.278 7.754 37.332 1.00 0.00 WT1 O ATOM 20399 H1 TIP3 6945 85.370 6.805 37.245 1.00 0.00 WT1 H ATOM 20400 H2 TIP3 6945 84.750 8.014 36.578 1.00 0.00 WT1 H ATOM 20401 OH2 TIP3 6946 80.431 5.573 33.380 1.00 0.00 WT1 O ATOM 20402 H1 TIP3 6946 80.185 6.099 32.619 1.00 0.00 WT1 H ATOM 20403 H2 TIP3 6946 80.639 4.711 33.018 1.00 0.00 WT1 H ATOM 20404 OH2 TIP3 6947 27.168 39.019 -17.910 1.00 0.00 WT1 O ATOM 20405 H1 TIP3 6947 27.814 39.595 -17.502 1.00 0.00 WT1 H ATOM 20406 H2 TIP3 6947 27.560 38.147 -17.865 1.00 0.00 WT1 H ATOM 20407 OH2 TIP3 6949 86.747 61.767 19.649 1.00 0.00 WT1 O ATOM 20408 H1 TIP3 6949 86.198 61.013 19.434 1.00 0.00 WT1 H ATOM 20409 H2 TIP3 6949 86.374 62.488 19.142 1.00 0.00 WT1 H ATOM 20410 OH2 TIP3 6950 77.366 50.060 61.787 1.00 0.00 WT1 O ATOM 20411 H1 TIP3 6950 78.241 50.228 62.136 1.00 0.00 WT1 H ATOM 20412 H2 TIP3 6950 76.780 50.554 62.360 1.00 0.00 WT1 H ATOM 20413 OH2 TIP3 6951 33.854 43.201 48.367 1.00 0.00 WT1 O ATOM 20414 H1 TIP3 6951 34.494 43.831 48.699 1.00 0.00 WT1 H ATOM 20415 H2 TIP3 6951 34.010 42.408 48.879 1.00 0.00 WT1 H ATOM 20416 OH2 TIP3 6952 46.368 62.802 47.835 1.00 0.00 WT1 O ATOM 20417 H1 TIP3 6952 46.673 62.469 46.991 1.00 0.00 WT1 H ATOM 20418 H2 TIP3 6952 46.605 63.730 47.826 1.00 0.00 WT1 H ATOM 20419 OH2 TIP3 6953 60.442 40.305 59.382 1.00 0.00 WT1 O ATOM 20420 H1 TIP3 6953 60.403 39.710 58.633 1.00 0.00 WT1 H ATOM 20421 H2 TIP3 6953 61.375 40.370 59.588 1.00 0.00 WT1 H ATOM 20422 OH2 TIP3 6954 38.859 63.406 0.491 1.00 0.00 WT1 O ATOM 20423 H1 TIP3 6954 38.611 64.199 0.965 1.00 0.00 WT1 H ATOM 20424 H2 TIP3 6954 38.785 63.645 -0.433 1.00 0.00 WT1 H ATOM 20425 OH2 TIP3 6955 71.583 85.384 21.906 1.00 0.00 WT1 O ATOM 20426 H1 TIP3 6955 71.164 84.844 22.576 1.00 0.00 WT1 H ATOM 20427 H2 TIP3 6955 71.895 84.757 21.254 1.00 0.00 WT1 H ATOM 20428 OH2 TIP3 6957 45.130 37.364 -15.205 1.00 0.00 WT1 O ATOM 20429 H1 TIP3 6957 46.020 37.015 -15.153 1.00 0.00 WT1 H ATOM 20430 H2 TIP3 6957 45.105 38.055 -14.543 1.00 0.00 WT1 H ATOM 20431 OH2 TIP3 6958 32.691 25.415 16.477 1.00 0.00 WT1 O ATOM 20432 H1 TIP3 6958 32.322 26.098 15.918 1.00 0.00 WT1 H ATOM 20433 H2 TIP3 6958 32.397 25.642 17.359 1.00 0.00 WT1 H ATOM 20434 OH2 TIP3 6959 85.967 32.218 26.091 1.00 0.00 WT1 O ATOM 20435 H1 TIP3 6959 85.276 32.440 26.715 1.00 0.00 WT1 H ATOM 20436 H2 TIP3 6959 86.084 33.012 25.570 1.00 0.00 WT1 H ATOM 20437 OH2 TIP3 6963 72.329 20.622 0.999 1.00 0.00 WT1 O ATOM 20438 H1 TIP3 6963 72.203 21.513 1.323 1.00 0.00 WT1 H ATOM 20439 H2 TIP3 6963 71.911 20.066 1.656 1.00 0.00 WT1 H ATOM 20440 OH2 TIP3 6964 39.045 48.172 54.981 1.00 0.00 WT1 O ATOM 20441 H1 TIP3 6964 38.634 47.766 55.744 1.00 0.00 WT1 H ATOM 20442 H2 TIP3 6964 39.181 49.083 55.238 1.00 0.00 WT1 H ATOM 20443 OH2 TIP3 6965 41.516 57.170 58.593 1.00 0.00 WT1 O ATOM 20444 H1 TIP3 6965 41.111 57.803 58.000 1.00 0.00 WT1 H ATOM 20445 H2 TIP3 6965 41.297 56.317 58.220 1.00 0.00 WT1 H ATOM 20446 OH2 TIP3 6967 28.964 43.924 61.269 1.00 0.00 WT1 O ATOM 20447 H1 TIP3 6967 29.143 44.854 61.407 1.00 0.00 WT1 H ATOM 20448 H2 TIP3 6967 29.535 43.474 61.892 1.00 0.00 WT1 H ATOM 20449 OH2 TIP3 6968 43.769 82.107 31.188 1.00 0.00 WT1 O ATOM 20450 H1 TIP3 6968 44.653 81.742 31.236 1.00 0.00 WT1 H ATOM 20451 H2 TIP3 6968 43.735 82.541 30.336 1.00 0.00 WT1 H ATOM 20452 OH2 TIP3 6969 58.186 41.659 23.679 1.00 0.00 WT1 O ATOM 20453 H1 TIP3 6969 58.045 41.694 22.733 1.00 0.00 WT1 H ATOM 20454 H2 TIP3 6969 57.450 42.145 24.050 1.00 0.00 WT1 H ATOM 20455 OH2 TIP3 6970 27.849 11.458 64.010 1.00 0.00 WT1 O ATOM 20456 H1 TIP3 6970 27.726 11.041 63.158 1.00 0.00 WT1 H ATOM 20457 H2 TIP3 6970 28.362 10.827 64.514 1.00 0.00 WT1 H ATOM 20458 OH2 TIP3 6971 63.496 9.564 0.121 1.00 0.00 WT1 O ATOM 20459 H1 TIP3 6971 63.363 10.510 0.053 1.00 0.00 WT1 H ATOM 20460 H2 TIP3 6971 64.361 9.472 0.521 1.00 0.00 WT1 H ATOM 20461 OH2 TIP3 6972 75.867 93.302 52.887 1.00 0.00 WT1 O ATOM 20462 H1 TIP3 6972 76.786 93.274 52.621 1.00 0.00 WT1 H ATOM 20463 H2 TIP3 6972 75.384 93.012 52.113 1.00 0.00 WT1 H ATOM 20464 OH2 TIP3 6973 68.366 29.438 33.585 1.00 0.00 WT1 O ATOM 20465 H1 TIP3 6973 67.666 29.215 32.971 1.00 0.00 WT1 H ATOM 20466 H2 TIP3 6973 68.944 28.675 33.577 1.00 0.00 WT1 H ATOM 20467 OH2 TIP3 6974 79.621 70.610 -15.934 1.00 0.00 WT1 O ATOM 20468 H1 TIP3 6974 80.549 70.789 -15.783 1.00 0.00 WT1 H ATOM 20469 H2 TIP3 6974 79.419 69.880 -15.349 1.00 0.00 WT1 H ATOM 20470 OH2 TIP3 6975 66.072 33.283 -16.288 1.00 0.00 WT1 O ATOM 20471 H1 TIP3 6975 65.298 33.258 -16.850 1.00 0.00 WT1 H ATOM 20472 H2 TIP3 6975 66.264 32.364 -16.102 1.00 0.00 WT1 H ATOM 20473 OH2 TIP3 6976 87.067 92.474 62.603 1.00 0.00 WT1 O ATOM 20474 H1 TIP3 6976 86.237 92.070 62.855 1.00 0.00 WT1 H ATOM 20475 H2 TIP3 6976 87.172 93.205 63.212 1.00 0.00 WT1 H ATOM 20476 OH2 TIP3 6977 32.886 44.954 -12.790 1.00 0.00 WT1 O ATOM 20477 H1 TIP3 6977 33.301 45.782 -12.545 1.00 0.00 WT1 H ATOM 20478 H2 TIP3 6977 32.863 44.972 -13.747 1.00 0.00 WT1 H ATOM 20479 OH2 TIP3 6978 67.276 3.993 55.167 1.00 0.00 WT1 O ATOM 20480 H1 TIP3 6978 68.174 4.088 54.848 1.00 0.00 WT1 H ATOM 20481 H2 TIP3 6978 67.373 3.706 56.075 1.00 0.00 WT1 H ATOM 20482 OH2 TIP3 6979 63.859 24.460 65.519 1.00 0.00 WT1 O ATOM 20483 H1 TIP3 6979 63.275 23.967 66.096 1.00 0.00 WT1 H ATOM 20484 H2 TIP3 6979 63.373 25.258 65.312 1.00 0.00 WT1 H ATOM 20485 OH2 TIP3 6980 29.814 70.194 1.770 1.00 0.00 WT1 O ATOM 20486 H1 TIP3 6980 29.064 69.603 1.822 1.00 0.00 WT1 H ATOM 20487 H2 TIP3 6980 29.452 71.014 1.435 1.00 0.00 WT1 H ATOM 20488 OH2 TIP3 6983 33.852 47.194 -15.878 1.00 0.00 WT1 O ATOM 20489 H1 TIP3 6983 34.225 47.970 -16.295 1.00 0.00 WT1 H ATOM 20490 H2 TIP3 6983 33.861 47.396 -14.942 1.00 0.00 WT1 H ATOM 20491 OH2 TIP3 6985 28.384 63.959 6.439 1.00 0.00 WT1 O ATOM 20492 H1 TIP3 6985 28.051 63.383 5.752 1.00 0.00 WT1 H ATOM 20493 H2 TIP3 6985 27.599 64.339 6.834 1.00 0.00 WT1 H ATOM 20494 OH2 TIP3 6987 65.964 60.802 42.681 1.00 0.00 WT1 O ATOM 20495 H1 TIP3 6987 65.170 60.301 42.869 1.00 0.00 WT1 H ATOM 20496 H2 TIP3 6987 65.665 61.531 42.137 1.00 0.00 WT1 H ATOM 20497 OH2 TIP3 6988 22.108 76.998 40.154 1.00 0.00 WT1 O ATOM 20498 H1 TIP3 6988 22.338 76.069 40.131 1.00 0.00 WT1 H ATOM 20499 H2 TIP3 6988 21.811 77.193 39.265 1.00 0.00 WT1 H ATOM 20500 OH2 TIP3 6989 25.829 36.226 25.887 1.00 0.00 WT1 O ATOM 20501 H1 TIP3 6989 26.006 36.870 26.572 1.00 0.00 WT1 H ATOM 20502 H2 TIP3 6989 26.668 36.115 25.439 1.00 0.00 WT1 H ATOM 20503 OH2 TIP3 6991 55.817 43.262 22.873 1.00 0.00 WT1 O ATOM 20504 H1 TIP3 6991 55.777 43.180 21.920 1.00 0.00 WT1 H ATOM 20505 H2 TIP3 6991 56.051 44.178 23.025 1.00 0.00 WT1 H ATOM 20506 OH2 TIP3 6992 52.501 82.471 28.830 1.00 0.00 WT1 O ATOM 20507 H1 TIP3 6992 52.241 82.605 29.741 1.00 0.00 WT1 H ATOM 20508 H2 TIP3 6992 52.040 83.156 28.345 1.00 0.00 WT1 H ATOM 20509 OH2 TIP3 6993 83.577 55.927 15.928 1.00 0.00 WT1 O ATOM 20510 H1 TIP3 6993 84.306 55.678 15.360 1.00 0.00 WT1 H ATOM 20511 H2 TIP3 6993 83.241 55.097 16.265 1.00 0.00 WT1 H ATOM 20512 OH2 TIP3 6994 65.225 95.221 17.449 1.00 0.00 WT1 O ATOM 20513 H1 TIP3 6994 64.903 95.494 18.309 1.00 0.00 WT1 H ATOM 20514 H2 TIP3 6994 65.798 95.935 17.170 1.00 0.00 WT1 H ATOM 20515 OH2 TIP3 6995 64.155 31.132 21.590 1.00 0.00 WT1 O ATOM 20516 H1 TIP3 6995 64.329 31.491 20.720 1.00 0.00 WT1 H ATOM 20517 H2 TIP3 6995 63.377 30.586 21.473 1.00 0.00 WT1 H ATOM 20518 OH2 TIP3 6997 89.320 74.307 26.824 1.00 0.00 WT1 O ATOM 20519 H1 TIP3 6997 88.468 74.147 27.229 1.00 0.00 WT1 H ATOM 20520 H2 TIP3 6997 89.117 74.781 26.017 1.00 0.00 WT1 H ATOM 20521 OH2 TIP3 6998 27.097 71.457 46.675 1.00 0.00 WT1 O ATOM 20522 H1 TIP3 6998 27.911 71.948 46.791 1.00 0.00 WT1 H ATOM 20523 H2 TIP3 6998 27.344 70.707 46.135 1.00 0.00 WT1 H ATOM 20524 OH2 TIP3 6999 68.881 1.761 -10.143 1.00 0.00 WT1 O ATOM 20525 H1 TIP3 6999 69.336 1.709 -9.302 1.00 0.00 WT1 H ATOM 20526 H2 TIP3 6999 69.566 1.987 -10.773 1.00 0.00 WT1 H ATOM 20527 OH2 TIP3 7000 72.294 60.775 -13.377 1.00 0.00 WT1 O ATOM 20528 H1 TIP3 7000 72.002 61.376 -14.062 1.00 0.00 WT1 H ATOM 20529 H2 TIP3 7000 71.541 60.696 -12.791 1.00 0.00 WT1 H ATOM 20530 OH2 TIP3 7001 81.677 69.745 13.415 1.00 0.00 WT1 O ATOM 20531 H1 TIP3 7001 81.635 68.983 12.838 1.00 0.00 WT1 H ATOM 20532 H2 TIP3 7001 80.841 69.741 13.881 1.00 0.00 WT1 H ATOM 20533 OH2 TIP3 7002 34.634 51.511 -5.310 1.00 0.00 WT1 O ATOM 20534 H1 TIP3 7002 34.971 50.742 -4.851 1.00 0.00 WT1 H ATOM 20535 H2 TIP3 7002 34.454 52.145 -4.616 1.00 0.00 WT1 H ATOM 20536 OH2 TIP3 7003 71.060 32.104 22.263 1.00 0.00 WT1 O ATOM 20537 H1 TIP3 7003 71.506 31.372 22.689 1.00 0.00 WT1 H ATOM 20538 H2 TIP3 7003 70.133 31.963 22.452 1.00 0.00 WT1 H ATOM 20539 OH2 TIP3 7004 25.444 73.496 -5.185 1.00 0.00 WT1 O ATOM 20540 H1 TIP3 7004 26.225 74.008 -4.975 1.00 0.00 WT1 H ATOM 20541 H2 TIP3 7004 25.489 72.738 -4.603 1.00 0.00 WT1 H ATOM 20542 OH2 TIP3 7005 85.934 50.469 17.109 1.00 0.00 WT1 O ATOM 20543 H1 TIP3 7005 85.674 49.924 16.367 1.00 0.00 WT1 H ATOM 20544 H2 TIP3 7005 85.421 51.271 17.009 1.00 0.00 WT1 H ATOM 20545 OH2 TIP3 7006 64.343 70.481 37.364 1.00 0.00 WT1 O ATOM 20546 H1 TIP3 7006 63.395 70.426 37.238 1.00 0.00 WT1 H ATOM 20547 H2 TIP3 7006 64.713 70.119 36.559 1.00 0.00 WT1 H ATOM 20548 OH2 TIP3 7007 33.810 66.323 -7.548 1.00 0.00 WT1 O ATOM 20549 H1 TIP3 7007 33.282 65.634 -7.144 1.00 0.00 WT1 H ATOM 20550 H2 TIP3 7007 33.890 66.058 -8.464 1.00 0.00 WT1 H ATOM 20551 OH2 TIP3 7008 52.589 66.188 53.343 1.00 0.00 WT1 O ATOM 20552 H1 TIP3 7008 52.389 66.135 52.408 1.00 0.00 WT1 H ATOM 20553 H2 TIP3 7008 51.818 66.602 53.730 1.00 0.00 WT1 H ATOM 20554 OH2 TIP3 7009 89.449 75.157 13.200 1.00 0.00 WT1 O ATOM 20555 H1 TIP3 7009 88.529 74.898 13.148 1.00 0.00 WT1 H ATOM 20556 H2 TIP3 7009 89.710 74.937 14.094 1.00 0.00 WT1 H ATOM 20557 OH2 TIP3 7010 89.516 65.004 29.417 1.00 0.00 WT1 O ATOM 20558 H1 TIP3 7010 89.747 65.609 30.123 1.00 0.00 WT1 H ATOM 20559 H2 TIP3 7010 89.322 64.179 29.862 1.00 0.00 WT1 H ATOM 20560 OH2 TIP3 7011 58.560 75.923 62.800 1.00 0.00 WT1 O ATOM 20561 H1 TIP3 7011 59.010 75.230 63.284 1.00 0.00 WT1 H ATOM 20562 H2 TIP3 7011 58.591 75.637 61.887 1.00 0.00 WT1 H ATOM 20563 OH2 TIP3 7012 70.881 32.198 -16.271 1.00 0.00 WT1 O ATOM 20564 H1 TIP3 7012 69.995 32.089 -16.616 1.00 0.00 WT1 H ATOM 20565 H2 TIP3 7012 70.755 32.574 -15.400 1.00 0.00 WT1 H ATOM 20566 OH2 TIP3 7013 22.030 35.894 3.885 1.00 0.00 WT1 O ATOM 20567 H1 TIP3 7013 22.157 36.812 3.646 1.00 0.00 WT1 H ATOM 20568 H2 TIP3 7013 22.653 35.415 3.338 1.00 0.00 WT1 H ATOM 20569 OH2 TIP3 7014 80.953 58.213 10.878 1.00 0.00 WT1 O ATOM 20570 H1 TIP3 7014 80.824 57.936 11.785 1.00 0.00 WT1 H ATOM 20571 H2 TIP3 7014 81.036 57.396 10.387 1.00 0.00 WT1 H ATOM 20572 OH2 TIP3 7015 72.496 39.779 25.847 1.00 0.00 WT1 O ATOM 20573 H1 TIP3 7015 72.647 38.926 25.440 1.00 0.00 WT1 H ATOM 20574 H2 TIP3 7015 72.644 40.411 25.143 1.00 0.00 WT1 H ATOM 20575 OH2 TIP3 7016 35.092 27.745 25.842 1.00 0.00 WT1 O ATOM 20576 H1 TIP3 7016 35.626 27.026 25.506 1.00 0.00 WT1 H ATOM 20577 H2 TIP3 7016 35.697 28.484 25.906 1.00 0.00 WT1 H ATOM 20578 OH2 TIP3 7017 75.222 3.812 -2.718 1.00 0.00 WT1 O ATOM 20579 H1 TIP3 7017 74.908 4.005 -3.601 1.00 0.00 WT1 H ATOM 20580 H2 TIP3 7017 75.019 4.601 -2.214 1.00 0.00 WT1 H ATOM 20581 OH2 TIP3 7018 63.279 36.119 18.714 1.00 0.00 WT1 O ATOM 20582 H1 TIP3 7018 62.522 35.764 19.179 1.00 0.00 WT1 H ATOM 20583 H2 TIP3 7018 63.087 35.965 17.789 1.00 0.00 WT1 H ATOM 20584 OH2 TIP3 7019 64.695 70.612 -1.138 1.00 0.00 WT1 O ATOM 20585 H1 TIP3 7019 63.778 70.432 -0.933 1.00 0.00 WT1 H ATOM 20586 H2 TIP3 7019 64.949 69.912 -1.740 1.00 0.00 WT1 H ATOM 20587 OH2 TIP3 7020 52.942 25.075 -2.045 1.00 0.00 WT1 O ATOM 20588 H1 TIP3 7020 52.284 25.473 -1.475 1.00 0.00 WT1 H ATOM 20589 H2 TIP3 7020 53.630 25.736 -2.117 1.00 0.00 WT1 H ATOM 20590 OH2 TIP3 7021 39.855 82.620 65.803 1.00 0.00 WT1 O ATOM 20591 H1 TIP3 7021 39.691 82.096 66.588 1.00 0.00 WT1 H ATOM 20592 H2 TIP3 7021 39.399 82.152 65.103 1.00 0.00 WT1 H ATOM 20593 OH2 TIP3 7023 50.917 4.669 28.634 1.00 0.00 WT1 O ATOM 20594 H1 TIP3 7023 51.167 3.754 28.756 1.00 0.00 WT1 H ATOM 20595 H2 TIP3 7023 49.963 4.671 28.716 1.00 0.00 WT1 H ATOM 20596 OH2 TIP3 7024 40.845 26.660 65.241 1.00 0.00 WT1 O ATOM 20597 H1 TIP3 7024 40.680 26.320 66.121 1.00 0.00 WT1 H ATOM 20598 H2 TIP3 7024 41.724 26.349 65.025 1.00 0.00 WT1 H ATOM 20599 OH2 TIP3 7025 27.272 94.586 34.336 1.00 0.00 WT1 O ATOM 20600 H1 TIP3 7025 28.096 94.582 34.822 1.00 0.00 WT1 H ATOM 20601 H2 TIP3 7025 27.139 95.504 34.097 1.00 0.00 WT1 H ATOM 20602 OH2 TIP3 7026 61.651 29.807 58.504 1.00 0.00 WT1 O ATOM 20603 H1 TIP3 7026 62.519 29.588 58.843 1.00 0.00 WT1 H ATOM 20604 H2 TIP3 7026 61.230 30.288 59.217 1.00 0.00 WT1 H ATOM 20605 OH2 TIP3 7027 81.558 90.551 52.881 1.00 0.00 WT1 O ATOM 20606 H1 TIP3 7027 82.190 91.216 52.607 1.00 0.00 WT1 H ATOM 20607 H2 TIP3 7027 81.823 89.760 52.413 1.00 0.00 WT1 H ATOM 20608 OH2 TIP3 7028 55.005 68.697 47.217 1.00 0.00 WT1 O ATOM 20609 H1 TIP3 7028 54.750 69.290 47.924 1.00 0.00 WT1 H ATOM 20610 H2 TIP3 7028 54.294 68.058 47.172 1.00 0.00 WT1 H ATOM 20611 OH2 TIP3 7029 56.954 73.014 47.324 1.00 0.00 WT1 O ATOM 20612 H1 TIP3 7029 57.731 73.495 47.608 1.00 0.00 WT1 H ATOM 20613 H2 TIP3 7029 56.601 73.534 46.602 1.00 0.00 WT1 H ATOM 20614 OH2 TIP3 7030 65.798 58.471 31.713 1.00 0.00 WT1 O ATOM 20615 H1 TIP3 7030 64.866 58.254 31.730 1.00 0.00 WT1 H ATOM 20616 H2 TIP3 7030 65.966 58.872 32.566 1.00 0.00 WT1 H ATOM 20617 OH2 TIP3 7031 70.591 68.707 55.116 1.00 0.00 WT1 O ATOM 20618 H1 TIP3 7031 69.975 69.238 55.620 1.00 0.00 WT1 H ATOM 20619 H2 TIP3 7031 70.284 68.777 54.212 1.00 0.00 WT1 H ATOM 20620 OH2 TIP3 7033 85.445 84.095 37.859 1.00 0.00 WT1 O ATOM 20621 H1 TIP3 7033 84.611 83.849 37.459 1.00 0.00 WT1 H ATOM 20622 H2 TIP3 7033 85.968 84.434 37.133 1.00 0.00 WT1 H ATOM 20623 OH2 TIP3 7034 51.297 72.311 26.120 1.00 0.00 WT1 O ATOM 20624 H1 TIP3 7034 50.878 72.542 25.291 1.00 0.00 WT1 H ATOM 20625 H2 TIP3 7034 51.203 71.360 26.180 1.00 0.00 WT1 H ATOM 20626 OH2 TIP3 7036 58.699 85.685 12.563 1.00 0.00 WT1 O ATOM 20627 H1 TIP3 7036 58.433 84.778 12.716 1.00 0.00 WT1 H ATOM 20628 H2 TIP3 7036 57.966 86.208 12.889 1.00 0.00 WT1 H ATOM 20629 OH2 TIP3 7037 33.135 51.294 55.738 1.00 0.00 WT1 O ATOM 20630 H1 TIP3 7037 32.478 51.827 56.186 1.00 0.00 WT1 H ATOM 20631 H2 TIP3 7037 33.000 50.410 56.079 1.00 0.00 WT1 H ATOM 20632 OH2 TIP3 7038 74.689 43.596 22.551 1.00 0.00 WT1 O ATOM 20633 H1 TIP3 7038 74.293 43.782 21.700 1.00 0.00 WT1 H ATOM 20634 H2 TIP3 7038 74.860 44.458 22.930 1.00 0.00 WT1 H ATOM 20635 OH2 TIP3 7039 24.480 86.558 28.178 1.00 0.00 WT1 O ATOM 20636 H1 TIP3 7039 24.954 85.978 27.582 1.00 0.00 WT1 H ATOM 20637 H2 TIP3 7039 23.766 86.020 28.520 1.00 0.00 WT1 H ATOM 20638 OH2 TIP3 7040 67.783 92.696 -12.203 1.00 0.00 WT1 O ATOM 20639 H1 TIP3 7040 67.857 92.173 -13.002 1.00 0.00 WT1 H ATOM 20640 H2 TIP3 7040 67.761 93.602 -12.511 1.00 0.00 WT1 H ATOM 20641 OH2 TIP3 7041 73.131 42.143 -19.146 1.00 0.00 WT1 O ATOM 20642 H1 TIP3 7041 73.828 42.467 -18.575 1.00 0.00 WT1 H ATOM 20643 H2 TIP3 7041 72.338 42.568 -18.821 1.00 0.00 WT1 H ATOM 20644 OH2 TIP3 7042 34.919 89.253 46.551 1.00 0.00 WT1 O ATOM 20645 H1 TIP3 7042 35.857 89.148 46.711 1.00 0.00 WT1 H ATOM 20646 H2 TIP3 7042 34.736 88.671 45.813 1.00 0.00 WT1 H ATOM 20647 OH2 TIP3 7043 39.905 14.305 2.031 1.00 0.00 WT1 O ATOM 20648 H1 TIP3 7043 39.832 15.252 2.148 1.00 0.00 WT1 H ATOM 20649 H2 TIP3 7043 39.029 14.029 1.762 1.00 0.00 WT1 H ATOM 20650 OH2 TIP3 7044 50.611 54.014 -9.800 1.00 0.00 WT1 O ATOM 20651 H1 TIP3 7044 49.857 53.666 -9.323 1.00 0.00 WT1 H ATOM 20652 H2 TIP3 7044 50.234 54.643 -10.416 1.00 0.00 WT1 H ATOM 20653 OH2 TIP3 7045 63.798 48.388 48.324 1.00 0.00 WT1 O ATOM 20654 H1 TIP3 7045 64.421 48.161 47.634 1.00 0.00 WT1 H ATOM 20655 H2 TIP3 7045 62.980 48.566 47.861 1.00 0.00 WT1 H ATOM 20656 OH2 TIP3 7046 45.164 81.994 63.168 1.00 0.00 WT1 O ATOM 20657 H1 TIP3 7046 45.200 81.225 62.599 1.00 0.00 WT1 H ATOM 20658 H2 TIP3 7046 44.579 81.738 63.881 1.00 0.00 WT1 H ATOM 20659 OH2 TIP3 7047 53.893 84.857 30.423 1.00 0.00 WT1 O ATOM 20660 H1 TIP3 7047 53.562 84.014 30.734 1.00 0.00 WT1 H ATOM 20661 H2 TIP3 7047 54.833 84.826 30.603 1.00 0.00 WT1 H ATOM 20662 OH2 TIP3 7048 39.611 67.834 61.859 1.00 0.00 WT1 O ATOM 20663 H1 TIP3 7048 39.924 68.546 61.300 1.00 0.00 WT1 H ATOM 20664 H2 TIP3 7048 38.790 68.162 62.226 1.00 0.00 WT1 H ATOM 20665 OH2 TIP3 7049 72.827 75.674 -8.126 1.00 0.00 WT1 O ATOM 20666 H1 TIP3 7049 73.078 75.795 -9.042 1.00 0.00 WT1 H ATOM 20667 H2 TIP3 7049 72.307 74.871 -8.124 1.00 0.00 WT1 H ATOM 20668 OH2 TIP3 7050 88.466 4.646 4.830 1.00 0.00 WT1 O ATOM 20669 H1 TIP3 7050 87.605 4.927 4.522 1.00 0.00 WT1 H ATOM 20670 H2 TIP3 7050 89.079 5.261 4.426 1.00 0.00 WT1 H ATOM 20671 OH2 TIP3 7051 55.829 94.793 49.947 1.00 0.00 WT1 O ATOM 20672 H1 TIP3 7051 56.578 94.808 50.542 1.00 0.00 WT1 H ATOM 20673 H2 TIP3 7051 55.777 95.685 49.603 1.00 0.00 WT1 H ATOM 20674 OH2 TIP3 7053 49.279 41.965 65.214 1.00 0.00 WT1 O ATOM 20675 H1 TIP3 7053 49.269 42.821 64.785 1.00 0.00 WT1 H ATOM 20676 H2 TIP3 7053 48.465 41.939 65.718 1.00 0.00 WT1 H ATOM 20677 OH2 TIP3 7054 78.653 72.557 51.744 1.00 0.00 WT1 O ATOM 20678 H1 TIP3 7054 78.280 72.508 52.624 1.00 0.00 WT1 H ATOM 20679 H2 TIP3 7054 78.079 72.009 51.209 1.00 0.00 WT1 H ATOM 20680 OH2 TIP3 7055 40.940 40.898 9.798 1.00 0.00 WT1 O ATOM 20681 H1 TIP3 7055 41.108 41.771 10.154 1.00 0.00 WT1 H ATOM 20682 H2 TIP3 7055 41.332 40.300 10.433 1.00 0.00 WT1 H ATOM 20683 OH2 TIP3 7056 27.344 22.233 54.205 1.00 0.00 WT1 O ATOM 20684 H1 TIP3 7056 28.248 22.009 53.985 1.00 0.00 WT1 H ATOM 20685 H2 TIP3 7056 27.368 22.445 55.138 1.00 0.00 WT1 H ATOM 20686 OH2 TIP3 7057 48.793 79.303 20.446 1.00 0.00 WT1 O ATOM 20687 H1 TIP3 7057 48.903 79.467 21.382 1.00 0.00 WT1 H ATOM 20688 H2 TIP3 7057 48.901 78.356 20.353 1.00 0.00 WT1 H ATOM 20689 OH2 TIP3 7058 71.727 36.895 29.763 1.00 0.00 WT1 O ATOM 20690 H1 TIP3 7058 71.239 36.850 30.586 1.00 0.00 WT1 H ATOM 20691 H2 TIP3 7058 72.492 36.338 29.908 1.00 0.00 WT1 H ATOM 20692 OH2 TIP3 7059 84.245 82.867 -10.479 1.00 0.00 WT1 O ATOM 20693 H1 TIP3 7059 85.119 82.479 -10.519 1.00 0.00 WT1 H ATOM 20694 H2 TIP3 7059 84.279 83.458 -9.727 1.00 0.00 WT1 H ATOM 20695 OH2 TIP3 7060 77.844 71.075 32.826 1.00 0.00 WT1 O ATOM 20696 H1 TIP3 7060 77.827 70.118 32.806 1.00 0.00 WT1 H ATOM 20697 H2 TIP3 7060 76.925 71.329 32.906 1.00 0.00 WT1 H ATOM 20698 OH2 TIP3 7061 39.739 26.759 -6.307 1.00 0.00 WT1 O ATOM 20699 H1 TIP3 7061 40.038 27.158 -5.490 1.00 0.00 WT1 H ATOM 20700 H2 TIP3 7061 39.194 27.431 -6.716 1.00 0.00 WT1 H ATOM 20701 OH2 TIP3 7062 47.526 89.876 -8.998 1.00 0.00 WT1 O ATOM 20702 H1 TIP3 7062 47.702 90.392 -9.785 1.00 0.00 WT1 H ATOM 20703 H2 TIP3 7062 48.227 89.224 -8.978 1.00 0.00 WT1 H ATOM 20704 OH2 TIP3 7063 31.243 19.482 60.661 1.00 0.00 WT1 O ATOM 20705 H1 TIP3 7063 31.488 20.314 60.258 1.00 0.00 WT1 H ATOM 20706 H2 TIP3 7063 31.823 18.838 60.254 1.00 0.00 WT1 H ATOM 20707 OH2 TIP3 7064 68.468 29.894 25.674 1.00 0.00 WT1 O ATOM 20708 H1 TIP3 7064 68.949 29.741 24.861 1.00 0.00 WT1 H ATOM 20709 H2 TIP3 7064 67.849 29.166 25.727 1.00 0.00 WT1 H ATOM 20710 OH2 TIP3 7065 29.809 16.321 34.008 1.00 0.00 WT1 O ATOM 20711 H1 TIP3 7065 29.759 16.095 34.937 1.00 0.00 WT1 H ATOM 20712 H2 TIP3 7065 29.957 17.267 33.999 1.00 0.00 WT1 H ATOM 20713 OH2 TIP3 7066 69.699 66.291 51.447 1.00 0.00 WT1 O ATOM 20714 H1 TIP3 7066 69.210 66.092 52.246 1.00 0.00 WT1 H ATOM 20715 H2 TIP3 7066 69.959 65.436 51.106 1.00 0.00 WT1 H ATOM 20716 OH2 TIP3 7067 80.845 40.200 17.502 1.00 0.00 WT1 O ATOM 20717 H1 TIP3 7067 80.233 39.637 17.027 1.00 0.00 WT1 H ATOM 20718 H2 TIP3 7067 80.346 40.515 18.255 1.00 0.00 WT1 H ATOM 20719 OH2 TIP3 7068 66.444 49.178 25.718 1.00 0.00 WT1 O ATOM 20720 H1 TIP3 7068 65.599 48.732 25.669 1.00 0.00 WT1 H ATOM 20721 H2 TIP3 7068 66.528 49.627 24.877 1.00 0.00 WT1 H ATOM 20722 OH2 TIP3 7069 88.684 83.724 28.648 1.00 0.00 WT1 O ATOM 20723 H1 TIP3 7069 89.554 83.926 28.304 1.00 0.00 WT1 H ATOM 20724 H2 TIP3 7069 88.345 83.047 28.061 1.00 0.00 WT1 H ATOM 20725 OH2 TIP3 7071 21.026 26.762 -20.074 1.00 0.00 WT1 O ATOM 20726 H1 TIP3 7071 20.341 27.170 -19.544 1.00 0.00 WT1 H ATOM 20727 H2 TIP3 7071 21.823 26.858 -19.552 1.00 0.00 WT1 H ATOM 20728 OH2 TIP3 7072 37.137 50.489 -6.670 1.00 0.00 WT1 O ATOM 20729 H1 TIP3 7072 37.761 50.764 -5.998 1.00 0.00 WT1 H ATOM 20730 H2 TIP3 7072 36.430 51.132 -6.619 1.00 0.00 WT1 H ATOM 20731 OH2 TIP3 7073 62.237 1.667 -10.538 1.00 0.00 WT1 O ATOM 20732 H1 TIP3 7073 62.143 0.714 -10.557 1.00 0.00 WT1 H ATOM 20733 H2 TIP3 7073 61.722 1.943 -9.780 1.00 0.00 WT1 H ATOM 20734 OH2 TIP3 7074 73.369 43.484 7.611 1.00 0.00 WT1 O ATOM 20735 H1 TIP3 7074 73.044 44.349 7.862 1.00 0.00 WT1 H ATOM 20736 H2 TIP3 7074 73.055 43.359 6.716 1.00 0.00 WT1 H ATOM 20737 OH2 TIP3 7075 55.046 60.553 -9.119 1.00 0.00 WT1 O ATOM 20738 H1 TIP3 7075 54.659 61.206 -8.535 1.00 0.00 WT1 H ATOM 20739 H2 TIP3 7075 55.967 60.516 -8.860 1.00 0.00 WT1 H ATOM 20740 OH2 TIP3 7076 80.437 14.741 -16.192 1.00 0.00 WT1 O ATOM 20741 H1 TIP3 7076 79.707 15.077 -15.672 1.00 0.00 WT1 H ATOM 20742 H2 TIP3 7076 80.058 14.572 -17.055 1.00 0.00 WT1 H ATOM 20743 OH2 TIP3 7077 80.979 65.989 -18.662 1.00 0.00 WT1 O ATOM 20744 H1 TIP3 7077 80.366 66.109 -19.387 1.00 0.00 WT1 H ATOM 20745 H2 TIP3 7077 81.827 65.851 -19.085 1.00 0.00 WT1 H ATOM 20746 OH2 TIP3 7078 90.199 58.076 17.888 1.00 0.00 WT1 O ATOM 20747 H1 TIP3 7078 89.739 57.518 18.514 1.00 0.00 WT1 H ATOM 20748 H2 TIP3 7078 90.479 57.479 17.194 1.00 0.00 WT1 H ATOM 20749 OH2 TIP3 7079 87.715 15.792 -4.202 1.00 0.00 WT1 O ATOM 20750 H1 TIP3 7079 88.611 16.002 -4.466 1.00 0.00 WT1 H ATOM 20751 H2 TIP3 7079 87.771 14.905 -3.846 1.00 0.00 WT1 H ATOM 20752 OH2 TIP3 7080 79.391 51.387 16.926 1.00 0.00 WT1 O ATOM 20753 H1 TIP3 7080 79.318 51.356 17.880 1.00 0.00 WT1 H ATOM 20754 H2 TIP3 7080 80.331 51.337 16.755 1.00 0.00 WT1 H ATOM 20755 OH2 TIP3 7081 45.348 72.254 -9.073 1.00 0.00 WT1 O ATOM 20756 H1 TIP3 7081 44.519 72.714 -8.938 1.00 0.00 WT1 H ATOM 20757 H2 TIP3 7081 45.678 72.091 -8.189 1.00 0.00 WT1 H ATOM 20758 OH2 TIP3 7082 33.257 21.510 7.759 1.00 0.00 WT1 O ATOM 20759 H1 TIP3 7082 33.641 22.157 8.351 1.00 0.00 WT1 H ATOM 20760 H2 TIP3 7082 33.477 20.666 8.152 1.00 0.00 WT1 H ATOM 20761 OH2 TIP3 7083 63.990 6.451 14.482 1.00 0.00 WT1 O ATOM 20762 H1 TIP3 7083 63.576 7.158 13.988 1.00 0.00 WT1 H ATOM 20763 H2 TIP3 7083 63.443 5.685 14.311 1.00 0.00 WT1 H ATOM 20764 OH2 TIP3 7085 74.160 40.035 1.351 1.00 0.00 WT1 O ATOM 20765 H1 TIP3 7085 74.509 39.648 2.154 1.00 0.00 WT1 H ATOM 20766 H2 TIP3 7085 74.927 40.165 0.794 1.00 0.00 WT1 H ATOM 20767 OH2 TIP3 7086 26.982 51.580 8.033 1.00 0.00 WT1 O ATOM 20768 H1 TIP3 7086 27.286 52.484 8.111 1.00 0.00 WT1 H ATOM 20769 H2 TIP3 7086 26.901 51.435 7.090 1.00 0.00 WT1 H ATOM 20770 OH2 TIP3 7088 56.525 17.471 40.700 1.00 0.00 WT1 O ATOM 20771 H1 TIP3 7088 56.221 17.974 41.455 1.00 0.00 WT1 H ATOM 20772 H2 TIP3 7088 56.143 17.917 39.944 1.00 0.00 WT1 H ATOM 20773 OH2 TIP3 7089 63.368 32.306 3.391 1.00 0.00 WT1 O ATOM 20774 H1 TIP3 7089 62.524 31.891 3.215 1.00 0.00 WT1 H ATOM 20775 H2 TIP3 7089 63.207 33.241 3.263 1.00 0.00 WT1 H ATOM 20776 OH2 TIP3 7090 84.016 85.052 57.762 1.00 0.00 WT1 O ATOM 20777 H1 TIP3 7090 84.541 85.553 57.138 1.00 0.00 WT1 H ATOM 20778 H2 TIP3 7090 83.117 85.143 57.447 1.00 0.00 WT1 H ATOM 20779 OH2 TIP3 7091 57.498 15.970 34.049 1.00 0.00 WT1 O ATOM 20780 H1 TIP3 7091 57.577 15.156 33.551 1.00 0.00 WT1 H ATOM 20781 H2 TIP3 7091 57.563 16.662 33.390 1.00 0.00 WT1 H ATOM 20782 OH2 TIP3 7092 69.444 50.199 30.682 1.00 0.00 WT1 O ATOM 20783 H1 TIP3 7092 69.573 50.150 31.629 1.00 0.00 WT1 H ATOM 20784 H2 TIP3 7092 68.611 49.753 30.529 1.00 0.00 WT1 H ATOM 20785 OH2 TIP3 7093 59.971 92.125 11.709 1.00 0.00 WT1 O ATOM 20786 H1 TIP3 7093 59.414 92.474 12.404 1.00 0.00 WT1 H ATOM 20787 H2 TIP3 7093 60.230 91.258 12.021 1.00 0.00 WT1 H ATOM 20788 OH2 TIP3 7094 22.285 11.425 36.829 1.00 0.00 WT1 O ATOM 20789 H1 TIP3 7094 23.228 11.379 36.672 1.00 0.00 WT1 H ATOM 20790 H2 TIP3 7094 21.892 11.356 35.959 1.00 0.00 WT1 H ATOM 20791 OH2 TIP3 7095 45.072 2.749 65.792 1.00 0.00 WT1 O ATOM 20792 H1 TIP3 7095 45.521 3.111 66.556 1.00 0.00 WT1 H ATOM 20793 H2 TIP3 7095 44.421 2.150 66.158 1.00 0.00 WT1 H ATOM 20794 OH2 TIP3 7096 65.161 78.284 6.747 1.00 0.00 WT1 O ATOM 20795 H1 TIP3 7096 64.695 77.589 6.282 1.00 0.00 WT1 H ATOM 20796 H2 TIP3 7096 65.089 78.044 7.671 1.00 0.00 WT1 H ATOM 20797 OH2 TIP3 7097 78.209 37.605 63.761 1.00 0.00 WT1 O ATOM 20798 H1 TIP3 7097 78.596 36.849 63.320 1.00 0.00 WT1 H ATOM 20799 H2 TIP3 7097 77.370 37.738 63.320 1.00 0.00 WT1 H ATOM 20800 OH2 TIP3 7098 47.484 40.516 46.324 1.00 0.00 WT1 O ATOM 20801 H1 TIP3 7098 47.562 40.761 47.246 1.00 0.00 WT1 H ATOM 20802 H2 TIP3 7098 47.669 41.323 45.844 1.00 0.00 WT1 H ATOM 20803 OH2 TIP3 7099 48.172 3.657 -16.402 1.00 0.00 WT1 O ATOM 20804 H1 TIP3 7099 47.768 3.202 -15.663 1.00 0.00 WT1 H ATOM 20805 H2 TIP3 7099 48.663 2.978 -16.863 1.00 0.00 WT1 H ATOM 20806 OH2 TIP3 7101 58.472 76.880 -5.154 1.00 0.00 WT1 O ATOM 20807 H1 TIP3 7101 58.823 77.753 -5.333 1.00 0.00 WT1 H ATOM 20808 H2 TIP3 7101 58.859 76.323 -5.830 1.00 0.00 WT1 H ATOM 20809 OH2 TIP3 7102 64.140 17.879 15.257 1.00 0.00 WT1 O ATOM 20810 H1 TIP3 7102 63.305 18.221 15.576 1.00 0.00 WT1 H ATOM 20811 H2 TIP3 7102 64.678 18.658 15.113 1.00 0.00 WT1 H ATOM 20812 OH2 TIP3 7103 64.689 91.836 55.339 1.00 0.00 WT1 O ATOM 20813 H1 TIP3 7103 65.067 92.715 55.347 1.00 0.00 WT1 H ATOM 20814 H2 TIP3 7103 63.956 91.884 55.953 1.00 0.00 WT1 H ATOM 20815 OH2 TIP3 7104 87.803 94.890 1.259 1.00 0.00 WT1 O ATOM 20816 H1 TIP3 7104 86.930 95.035 0.895 1.00 0.00 WT1 H ATOM 20817 H2 TIP3 7104 87.726 94.070 1.748 1.00 0.00 WT1 H ATOM 20818 OH2 TIP3 7105 62.028 21.274 28.649 1.00 0.00 WT1 O ATOM 20819 H1 TIP3 7105 62.722 21.052 29.269 1.00 0.00 WT1 H ATOM 20820 H2 TIP3 7105 61.719 22.134 28.932 1.00 0.00 WT1 H ATOM 20821 OH2 TIP3 7106 82.773 26.768 -10.556 1.00 0.00 WT1 O ATOM 20822 H1 TIP3 7106 83.398 27.078 -11.212 1.00 0.00 WT1 H ATOM 20823 H2 TIP3 7106 83.318 26.476 -9.826 1.00 0.00 WT1 H ATOM 20824 OH2 TIP3 7107 84.946 90.842 -2.742 1.00 0.00 WT1 O ATOM 20825 H1 TIP3 7107 85.702 91.412 -2.882 1.00 0.00 WT1 H ATOM 20826 H2 TIP3 7107 85.048 90.145 -3.391 1.00 0.00 WT1 H ATOM 20827 OH2 TIP3 7108 87.423 89.400 -14.533 1.00 0.00 WT1 O ATOM 20828 H1 TIP3 7108 87.067 89.670 -13.686 1.00 0.00 WT1 H ATOM 20829 H2 TIP3 7108 87.858 88.566 -14.355 1.00 0.00 WT1 H ATOM 20830 OH2 TIP3 7109 47.405 1.385 6.263 1.00 0.00 WT1 O ATOM 20831 H1 TIP3 7109 47.310 1.832 7.104 1.00 0.00 WT1 H ATOM 20832 H2 TIP3 7109 48.321 1.107 6.240 1.00 0.00 WT1 H ATOM 20833 OH2 TIP3 7110 69.597 81.948 33.723 1.00 0.00 WT1 O ATOM 20834 H1 TIP3 7110 69.901 82.715 33.238 1.00 0.00 WT1 H ATOM 20835 H2 TIP3 7110 69.289 82.298 34.559 1.00 0.00 WT1 H ATOM 20836 OH2 TIP3 7111 53.802 7.132 61.762 1.00 0.00 WT1 O ATOM 20837 H1 TIP3 7111 53.235 7.790 62.165 1.00 0.00 WT1 H ATOM 20838 H2 TIP3 7111 54.231 6.700 62.500 1.00 0.00 WT1 H ATOM 20839 OH2 TIP3 7113 26.421 5.257 64.370 1.00 0.00 WT1 O ATOM 20840 H1 TIP3 7113 25.493 5.489 64.373 1.00 0.00 WT1 H ATOM 20841 H2 TIP3 7113 26.833 5.922 63.818 1.00 0.00 WT1 H ATOM 20842 OH2 TIP3 7114 79.419 64.665 -16.794 1.00 0.00 WT1 O ATOM 20843 H1 TIP3 7114 79.746 65.205 -17.514 1.00 0.00 WT1 H ATOM 20844 H2 TIP3 7114 80.065 63.964 -16.707 1.00 0.00 WT1 H ATOM 20845 OH2 TIP3 7115 22.394 34.431 -19.583 1.00 0.00 WT1 O ATOM 20846 H1 TIP3 7115 23.339 34.282 -19.590 1.00 0.00 WT1 H ATOM 20847 H2 TIP3 7115 22.284 35.293 -19.985 1.00 0.00 WT1 H ATOM 20848 OH2 TIP3 7116 20.703 87.389 41.854 1.00 0.00 WT1 O ATOM 20849 H1 TIP3 7116 19.855 87.277 41.425 1.00 0.00 WT1 H ATOM 20850 H2 TIP3 7116 21.332 86.997 41.248 1.00 0.00 WT1 H ATOM 20851 OH2 TIP3 7117 37.043 11.527 55.827 1.00 0.00 WT1 O ATOM 20852 H1 TIP3 7117 37.735 12.128 56.102 1.00 0.00 WT1 H ATOM 20853 H2 TIP3 7117 36.230 11.991 56.024 1.00 0.00 WT1 H ATOM 20854 OH2 TIP3 7118 33.257 80.427 17.758 1.00 0.00 WT1 O ATOM 20855 H1 TIP3 7118 33.284 80.941 16.951 1.00 0.00 WT1 H ATOM 20856 H2 TIP3 7118 33.611 79.573 17.511 1.00 0.00 WT1 H ATOM 20857 OH2 TIP3 7119 58.449 25.969 41.414 1.00 0.00 WT1 O ATOM 20858 H1 TIP3 7119 58.997 26.647 41.809 1.00 0.00 WT1 H ATOM 20859 H2 TIP3 7119 58.261 26.296 40.534 1.00 0.00 WT1 H ATOM 20860 OH2 TIP3 7120 23.981 51.860 -13.624 1.00 0.00 WT1 O ATOM 20861 H1 TIP3 7120 23.378 51.415 -14.218 1.00 0.00 WT1 H ATOM 20862 H2 TIP3 7120 23.631 51.685 -12.750 1.00 0.00 WT1 H ATOM 20863 OH2 TIP3 7121 67.639 22.691 26.001 1.00 0.00 WT1 O ATOM 20864 H1 TIP3 7121 67.095 22.016 25.596 1.00 0.00 WT1 H ATOM 20865 H2 TIP3 7121 67.870 23.277 25.281 1.00 0.00 WT1 H ATOM 20866 OH2 TIP3 7122 49.563 39.149 50.085 1.00 0.00 WT1 O ATOM 20867 H1 TIP3 7122 49.141 39.564 49.333 1.00 0.00 WT1 H ATOM 20868 H2 TIP3 7122 50.198 39.797 50.391 1.00 0.00 WT1 H ATOM 20869 OH2 TIP3 7123 48.196 12.234 12.188 1.00 0.00 WT1 O ATOM 20870 H1 TIP3 7123 47.763 12.545 11.393 1.00 0.00 WT1 H ATOM 20871 H2 TIP3 7123 48.719 12.980 12.482 1.00 0.00 WT1 H ATOM 20872 OH2 TIP3 7124 40.587 13.287 -4.495 1.00 0.00 WT1 O ATOM 20873 H1 TIP3 7124 40.067 14.089 -4.447 1.00 0.00 WT1 H ATOM 20874 H2 TIP3 7124 41.344 13.523 -5.031 1.00 0.00 WT1 H ATOM 20875 OH2 TIP3 7125 49.340 9.353 20.396 1.00 0.00 WT1 O ATOM 20876 H1 TIP3 7125 48.914 10.031 20.921 1.00 0.00 WT1 H ATOM 20877 H2 TIP3 7125 48.942 8.534 20.693 1.00 0.00 WT1 H ATOM 20878 OH2 TIP3 7126 43.356 16.973 38.173 1.00 0.00 WT1 O ATOM 20879 H1 TIP3 7126 43.941 16.383 37.698 1.00 0.00 WT1 H ATOM 20880 H2 TIP3 7126 43.894 17.742 38.362 1.00 0.00 WT1 H ATOM 20881 OH2 TIP3 7127 29.153 50.216 -17.605 1.00 0.00 WT1 O ATOM 20882 H1 TIP3 7127 29.912 49.640 -17.703 1.00 0.00 WT1 H ATOM 20883 H2 TIP3 7127 29.435 50.879 -16.975 1.00 0.00 WT1 H ATOM 20884 OH2 TIP3 7128 26.621 81.540 30.080 1.00 0.00 WT1 O ATOM 20885 H1 TIP3 7128 26.265 82.429 30.078 1.00 0.00 WT1 H ATOM 20886 H2 TIP3 7128 25.857 80.976 30.204 1.00 0.00 WT1 H ATOM 20887 OH2 TIP3 7129 57.623 3.210 61.179 1.00 0.00 WT1 O ATOM 20888 H1 TIP3 7129 58.106 3.726 61.824 1.00 0.00 WT1 H ATOM 20889 H2 TIP3 7129 57.275 2.469 61.676 1.00 0.00 WT1 H ATOM 20890 OH2 TIP3 7130 65.745 54.829 9.589 1.00 0.00 WT1 O ATOM 20891 H1 TIP3 7130 65.984 55.223 10.427 1.00 0.00 WT1 H ATOM 20892 H2 TIP3 7130 65.167 54.102 9.822 1.00 0.00 WT1 H ATOM 20893 OH2 TIP3 7131 45.852 79.280 21.952 1.00 0.00 WT1 O ATOM 20894 H1 TIP3 7131 46.051 79.979 22.575 1.00 0.00 WT1 H ATOM 20895 H2 TIP3 7131 46.322 78.517 22.288 1.00 0.00 WT1 H ATOM 20896 OH2 TIP3 7132 80.496 37.941 3.984 1.00 0.00 WT1 O ATOM 20897 H1 TIP3 7132 80.533 37.789 4.929 1.00 0.00 WT1 H ATOM 20898 H2 TIP3 7132 80.377 38.887 3.898 1.00 0.00 WT1 H ATOM 20899 OH2 TIP3 7133 72.971 5.731 35.878 1.00 0.00 WT1 O ATOM 20900 H1 TIP3 7133 72.932 4.847 35.512 1.00 0.00 WT1 H ATOM 20901 H2 TIP3 7133 73.475 6.234 35.238 1.00 0.00 WT1 H ATOM 20902 OH2 TIP3 7134 22.335 74.012 62.279 1.00 0.00 WT1 O ATOM 20903 H1 TIP3 7134 23.273 73.977 62.468 1.00 0.00 WT1 H ATOM 20904 H2 TIP3 7134 22.207 74.861 61.857 1.00 0.00 WT1 H ATOM 20905 OH2 TIP3 7135 66.017 44.929 66.656 1.00 0.00 WT1 O ATOM 20906 H1 TIP3 7135 66.762 45.324 66.204 1.00 0.00 WT1 H ATOM 20907 H2 TIP3 7135 66.346 44.732 67.533 1.00 0.00 WT1 H ATOM 20908 OH2 TIP3 7136 76.250 83.909 35.362 1.00 0.00 WT1 O ATOM 20909 H1 TIP3 7136 75.752 83.417 36.014 1.00 0.00 WT1 H ATOM 20910 H2 TIP3 7136 77.128 83.985 35.736 1.00 0.00 WT1 H ATOM 20911 OH2 TIP3 7137 63.750 15.215 66.017 1.00 0.00 WT1 O ATOM 20912 H1 TIP3 7137 63.728 14.629 66.773 1.00 0.00 WT1 H ATOM 20913 H2 TIP3 7137 63.916 14.638 65.271 1.00 0.00 WT1 H ATOM 20914 OH2 TIP3 7138 22.088 72.039 -9.936 1.00 0.00 WT1 O ATOM 20915 H1 TIP3 7138 21.209 71.724 -9.725 1.00 0.00 WT1 H ATOM 20916 H2 TIP3 7138 22.493 72.208 -9.086 1.00 0.00 WT1 H ATOM 20917 OH2 TIP3 7139 38.011 72.356 26.022 1.00 0.00 WT1 O ATOM 20918 H1 TIP3 7139 38.285 71.971 26.854 1.00 0.00 WT1 H ATOM 20919 H2 TIP3 7139 38.647 72.030 25.385 1.00 0.00 WT1 H ATOM 20920 OH2 TIP3 7140 82.599 92.356 33.386 1.00 0.00 WT1 O ATOM 20921 H1 TIP3 7140 83.123 92.970 32.871 1.00 0.00 WT1 H ATOM 20922 H2 TIP3 7140 82.081 91.880 32.737 1.00 0.00 WT1 H ATOM 20923 OH2 TIP3 7141 48.659 38.324 54.904 1.00 0.00 WT1 O ATOM 20924 H1 TIP3 7141 48.132 38.438 54.113 1.00 0.00 WT1 H ATOM 20925 H2 TIP3 7141 48.866 39.215 55.186 1.00 0.00 WT1 H ATOM 20926 OH2 TIP3 7142 24.387 78.313 56.685 1.00 0.00 WT1 O ATOM 20927 H1 TIP3 7142 23.614 78.835 56.899 1.00 0.00 WT1 H ATOM 20928 H2 TIP3 7142 24.054 77.610 56.127 1.00 0.00 WT1 H ATOM 20929 OH2 TIP3 7143 30.769 2.563 58.299 1.00 0.00 WT1 O ATOM 20930 H1 TIP3 7143 31.020 1.681 58.573 1.00 0.00 WT1 H ATOM 20931 H2 TIP3 7143 29.944 2.730 58.755 1.00 0.00 WT1 H ATOM 20932 OH2 TIP3 7144 20.451 7.940 7.784 1.00 0.00 WT1 O ATOM 20933 H1 TIP3 7144 20.396 8.881 7.951 1.00 0.00 WT1 H ATOM 20934 H2 TIP3 7144 20.941 7.592 8.529 1.00 0.00 WT1 H ATOM 20935 OH2 TIP3 7145 72.273 72.594 66.481 1.00 0.00 WT1 O ATOM 20936 H1 TIP3 7145 71.813 71.848 66.096 1.00 0.00 WT1 H ATOM 20937 H2 TIP3 7145 71.824 73.361 66.126 1.00 0.00 WT1 H ATOM 20938 OH2 TIP3 7146 56.993 72.087 34.420 1.00 0.00 WT1 O ATOM 20939 H1 TIP3 7146 56.225 72.435 34.872 1.00 0.00 WT1 H ATOM 20940 H2 TIP3 7146 56.668 71.318 33.952 1.00 0.00 WT1 H ATOM 20941 OH2 TIP3 7147 71.703 48.911 -7.377 1.00 0.00 WT1 O ATOM 20942 H1 TIP3 7147 72.049 48.071 -7.076 1.00 0.00 WT1 H ATOM 20943 H2 TIP3 7147 70.996 49.114 -6.765 1.00 0.00 WT1 H ATOM 20944 OH2 TIP3 7148 37.085 45.578 65.009 1.00 0.00 WT1 O ATOM 20945 H1 TIP3 7148 37.566 46.401 65.094 1.00 0.00 WT1 H ATOM 20946 H2 TIP3 7148 37.606 45.058 64.397 1.00 0.00 WT1 H ATOM 20947 OH2 TIP3 7149 42.641 64.692 62.188 1.00 0.00 WT1 O ATOM 20948 H1 TIP3 7149 43.513 65.035 61.995 1.00 0.00 WT1 H ATOM 20949 H2 TIP3 7149 42.195 64.682 61.341 1.00 0.00 WT1 H ATOM 20950 OH2 TIP3 7150 66.749 13.582 23.921 1.00 0.00 WT1 O ATOM 20951 H1 TIP3 7150 67.578 13.265 24.281 1.00 0.00 WT1 H ATOM 20952 H2 TIP3 7150 66.648 14.460 24.288 1.00 0.00 WT1 H ATOM 20953 OH2 TIP3 7151 79.058 11.901 38.295 1.00 0.00 WT1 O ATOM 20954 H1 TIP3 7151 79.258 11.222 37.650 1.00 0.00 WT1 H ATOM 20955 H2 TIP3 7151 79.761 12.543 38.193 1.00 0.00 WT1 H ATOM 20956 OH2 TIP3 7152 77.594 40.448 -10.117 1.00 0.00 WT1 O ATOM 20957 H1 TIP3 7152 78.019 40.871 -9.371 1.00 0.00 WT1 H ATOM 20958 H2 TIP3 7152 78.154 39.700 -10.322 1.00 0.00 WT1 H ATOM 20959 OH2 TIP3 7153 64.508 41.333 51.856 1.00 0.00 WT1 O ATOM 20960 H1 TIP3 7153 63.920 41.493 52.594 1.00 0.00 WT1 H ATOM 20961 H2 TIP3 7153 64.283 42.009 51.217 1.00 0.00 WT1 H ATOM 20962 OH2 TIP3 7154 64.597 11.766 62.469 1.00 0.00 WT1 O ATOM 20963 H1 TIP3 7154 64.690 12.609 62.913 1.00 0.00 WT1 H ATOM 20964 H2 TIP3 7154 64.935 11.126 63.097 1.00 0.00 WT1 H ATOM 20965 OH2 TIP3 7155 85.373 16.241 35.996 1.00 0.00 WT1 O ATOM 20966 H1 TIP3 7155 84.716 16.877 36.279 1.00 0.00 WT1 H ATOM 20967 H2 TIP3 7155 86.178 16.752 35.905 1.00 0.00 WT1 H ATOM 20968 OH2 TIP3 7156 40.361 26.271 21.300 1.00 0.00 WT1 O ATOM 20969 H1 TIP3 7156 40.444 27.139 21.696 1.00 0.00 WT1 H ATOM 20970 H2 TIP3 7156 39.719 26.387 20.600 1.00 0.00 WT1 H ATOM 20971 OH2 TIP3 7157 77.945 31.315 -10.711 1.00 0.00 WT1 O ATOM 20972 H1 TIP3 7157 77.637 32.140 -11.087 1.00 0.00 WT1 H ATOM 20973 H2 TIP3 7157 78.183 31.535 -9.811 1.00 0.00 WT1 H ATOM 20974 OH2 TIP3 7158 71.211 37.538 51.730 1.00 0.00 WT1 O ATOM 20975 H1 TIP3 7158 71.594 36.681 51.915 1.00 0.00 WT1 H ATOM 20976 H2 TIP3 7158 71.865 37.981 51.189 1.00 0.00 WT1 H ATOM 20977 OH2 TIP3 7159 26.147 12.073 55.747 1.00 0.00 WT1 O ATOM 20978 H1 TIP3 7159 25.471 12.574 55.290 1.00 0.00 WT1 H ATOM 20979 H2 TIP3 7159 26.745 11.791 55.055 1.00 0.00 WT1 H ATOM 20980 OH2 TIP3 7160 71.180 44.264 -12.309 1.00 0.00 WT1 O ATOM 20981 H1 TIP3 7160 71.795 43.550 -12.475 1.00 0.00 WT1 H ATOM 20982 H2 TIP3 7160 70.807 44.064 -11.450 1.00 0.00 WT1 H ATOM 20983 OH2 TIP3 7161 84.079 37.566 14.588 1.00 0.00 WT1 O ATOM 20984 H1 TIP3 7161 83.956 36.631 14.422 1.00 0.00 WT1 H ATOM 20985 H2 TIP3 7161 83.597 37.732 15.398 1.00 0.00 WT1 H ATOM 20986 OH2 TIP3 7162 66.217 33.589 28.831 1.00 0.00 WT1 O ATOM 20987 H1 TIP3 7162 66.218 34.451 28.415 1.00 0.00 WT1 H ATOM 20988 H2 TIP3 7162 65.322 33.268 28.717 1.00 0.00 WT1 H ATOM 20989 OH2 TIP3 7163 60.157 30.642 37.224 1.00 0.00 WT1 O ATOM 20990 H1 TIP3 7163 59.728 30.719 36.372 1.00 0.00 WT1 H ATOM 20991 H2 TIP3 7163 60.414 29.721 37.281 1.00 0.00 WT1 H ATOM 20992 OH2 TIP3 7164 39.693 37.418 41.825 1.00 0.00 WT1 O ATOM 20993 H1 TIP3 7164 39.018 37.000 41.290 1.00 0.00 WT1 H ATOM 20994 H2 TIP3 7164 40.517 37.058 41.498 1.00 0.00 WT1 H ATOM 20995 OH2 TIP3 7165 74.234 33.737 33.592 1.00 0.00 WT1 O ATOM 20996 H1 TIP3 7165 75.156 33.577 33.792 1.00 0.00 WT1 H ATOM 20997 H2 TIP3 7165 74.151 34.690 33.589 1.00 0.00 WT1 H ATOM 20998 OH2 TIP3 7166 68.839 44.101 -3.353 1.00 0.00 WT1 O ATOM 20999 H1 TIP3 7166 68.676 44.716 -2.638 1.00 0.00 WT1 H ATOM 21000 H2 TIP3 7166 69.707 43.742 -3.168 1.00 0.00 WT1 H ATOM 21001 OH2 TIP3 7167 45.451 4.687 57.326 1.00 0.00 WT1 O ATOM 21002 H1 TIP3 7167 45.362 4.964 58.238 1.00 0.00 WT1 H ATOM 21003 H2 TIP3 7167 45.422 5.502 56.824 1.00 0.00 WT1 H ATOM 21004 OH2 TIP3 7168 21.090 64.834 27.132 1.00 0.00 WT1 O ATOM 21005 H1 TIP3 7168 21.537 64.004 27.298 1.00 0.00 WT1 H ATOM 21006 H2 TIP3 7168 20.552 64.976 27.911 1.00 0.00 WT1 H ATOM 21007 OH2 TIP3 7169 53.211 28.840 -10.609 1.00 0.00 WT1 O ATOM 21008 H1 TIP3 7169 52.782 29.689 -10.501 1.00 0.00 WT1 H ATOM 21009 H2 TIP3 7169 52.521 28.262 -10.935 1.00 0.00 WT1 H ATOM 21010 OH2 TIP3 7170 68.854 26.435 -4.846 1.00 0.00 WT1 O ATOM 21011 H1 TIP3 7170 68.878 27.127 -5.506 1.00 0.00 WT1 H ATOM 21012 H2 TIP3 7170 69.683 25.969 -4.957 1.00 0.00 WT1 H ATOM 21013 OH2 TIP3 7171 24.214 82.524 61.068 1.00 0.00 WT1 O ATOM 21014 H1 TIP3 7171 24.769 82.807 60.341 1.00 0.00 WT1 H ATOM 21015 H2 TIP3 7171 24.114 81.581 60.941 1.00 0.00 WT1 H ATOM 21016 OH2 TIP3 7172 23.299 22.565 39.756 1.00 0.00 WT1 O ATOM 21017 H1 TIP3 7172 22.715 21.830 39.943 1.00 0.00 WT1 H ATOM 21018 H2 TIP3 7172 23.437 22.527 38.810 1.00 0.00 WT1 H ATOM 21019 OH2 TIP3 7173 87.362 73.153 61.060 1.00 0.00 WT1 O ATOM 21020 H1 TIP3 7173 87.975 73.876 61.190 1.00 0.00 WT1 H ATOM 21021 H2 TIP3 7173 87.464 72.608 61.840 1.00 0.00 WT1 H ATOM 21022 OH2 TIP3 7174 25.526 25.284 32.080 1.00 0.00 WT1 O ATOM 21023 H1 TIP3 7174 26.130 25.527 31.379 1.00 0.00 WT1 H ATOM 21024 H2 TIP3 7174 25.394 24.343 31.969 1.00 0.00 WT1 H ATOM 21025 OH2 TIP3 7175 35.667 89.452 11.063 1.00 0.00 WT1 O ATOM 21026 H1 TIP3 7175 36.613 89.432 10.919 1.00 0.00 WT1 H ATOM 21027 H2 TIP3 7175 35.569 89.423 12.015 1.00 0.00 WT1 H ATOM 21028 OH2 TIP3 7176 39.088 11.604 63.527 1.00 0.00 WT1 O ATOM 21029 H1 TIP3 7176 39.443 12.344 64.021 1.00 0.00 WT1 H ATOM 21030 H2 TIP3 7176 38.358 11.288 64.060 1.00 0.00 WT1 H ATOM 21031 OH2 TIP3 7177 47.180 76.089 59.176 1.00 0.00 WT1 O ATOM 21032 H1 TIP3 7177 47.781 76.832 59.231 1.00 0.00 WT1 H ATOM 21033 H2 TIP3 7177 46.764 76.181 58.318 1.00 0.00 WT1 H ATOM 21034 OH2 TIP3 7178 80.494 88.216 24.907 1.00 0.00 WT1 O ATOM 21035 H1 TIP3 7178 80.460 89.108 25.251 1.00 0.00 WT1 H ATOM 21036 H2 TIP3 7178 81.203 87.797 25.395 1.00 0.00 WT1 H ATOM 21037 OH2 TIP3 7179 46.670 93.478 17.083 1.00 0.00 WT1 O ATOM 21038 H1 TIP3 7179 46.129 93.319 16.309 1.00 0.00 WT1 H ATOM 21039 H2 TIP3 7179 46.042 93.615 17.791 1.00 0.00 WT1 H ATOM 21040 OH2 TIP3 7180 45.248 2.527 55.285 1.00 0.00 WT1 O ATOM 21041 H1 TIP3 7180 45.751 2.656 56.089 1.00 0.00 WT1 H ATOM 21042 H2 TIP3 7180 44.884 1.646 55.368 1.00 0.00 WT1 H ATOM 21043 OH2 TIP3 7181 67.334 3.299 57.784 1.00 0.00 WT1 O ATOM 21044 H1 TIP3 7181 66.707 3.986 58.010 1.00 0.00 WT1 H ATOM 21045 H2 TIP3 7181 67.955 3.293 58.512 1.00 0.00 WT1 H ATOM 21046 OH2 TIP3 7182 34.654 12.121 29.387 1.00 0.00 WT1 O ATOM 21047 H1 TIP3 7182 33.954 12.382 28.789 1.00 0.00 WT1 H ATOM 21048 H2 TIP3 7182 34.273 12.219 30.260 1.00 0.00 WT1 H ATOM 21049 OH2 TIP3 7183 35.630 27.729 32.636 1.00 0.00 WT1 O ATOM 21050 H1 TIP3 7183 35.727 28.645 32.375 1.00 0.00 WT1 H ATOM 21051 H2 TIP3 7183 36.523 27.431 32.805 1.00 0.00 WT1 H ATOM 21052 OH2 TIP3 7184 39.447 19.970 29.114 1.00 0.00 WT1 O ATOM 21053 H1 TIP3 7184 39.432 20.848 28.733 1.00 0.00 WT1 H ATOM 21054 H2 TIP3 7184 39.347 20.115 30.055 1.00 0.00 WT1 H ATOM 21055 OH2 TIP3 7185 55.340 12.955 13.400 1.00 0.00 WT1 O ATOM 21056 H1 TIP3 7185 55.642 12.431 14.142 1.00 0.00 WT1 H ATOM 21057 H2 TIP3 7185 56.143 13.240 12.964 1.00 0.00 WT1 H ATOM 21058 OH2 TIP3 7186 79.949 27.245 -17.724 1.00 0.00 WT1 O ATOM 21059 H1 TIP3 7186 80.825 27.616 -17.828 1.00 0.00 WT1 H ATOM 21060 H2 TIP3 7186 79.895 27.015 -16.796 1.00 0.00 WT1 H ATOM 21061 OH2 TIP3 7187 60.134 47.413 30.985 1.00 0.00 WT1 O ATOM 21062 H1 TIP3 7187 60.404 48.282 30.689 1.00 0.00 WT1 H ATOM 21063 H2 TIP3 7187 60.676 46.807 30.478 1.00 0.00 WT1 H ATOM 21064 OH2 TIP3 7188 63.942 48.399 25.167 1.00 0.00 WT1 O ATOM 21065 H1 TIP3 7188 63.561 49.107 25.687 1.00 0.00 WT1 H ATOM 21066 H2 TIP3 7188 63.220 48.086 24.622 1.00 0.00 WT1 H ATOM 21067 OH2 TIP3 7189 73.872 17.622 59.057 1.00 0.00 WT1 O ATOM 21068 H1 TIP3 7189 73.058 17.577 58.556 1.00 0.00 WT1 H ATOM 21069 H2 TIP3 7189 73.915 18.527 59.364 1.00 0.00 WT1 H ATOM 21070 OH2 TIP3 7190 67.546 7.181 4.037 1.00 0.00 WT1 O ATOM 21071 H1 TIP3 7190 66.764 7.002 3.514 1.00 0.00 WT1 H ATOM 21072 H2 TIP3 7190 68.000 7.875 3.559 1.00 0.00 WT1 H ATOM 21073 OH2 TIP3 7191 90.055 33.333 -0.086 1.00 0.00 WT1 O ATOM 21074 H1 TIP3 7191 89.240 32.835 -0.020 1.00 0.00 WT1 H ATOM 21075 H2 TIP3 7191 90.567 33.056 0.674 1.00 0.00 WT1 H ATOM 21076 OH2 TIP3 7192 58.693 87.184 28.592 1.00 0.00 WT1 O ATOM 21077 H1 TIP3 7192 58.284 86.389 28.934 1.00 0.00 WT1 H ATOM 21078 H2 TIP3 7192 58.102 87.890 28.855 1.00 0.00 WT1 H ATOM 21079 OH2 TIP3 7193 32.022 41.694 21.087 1.00 0.00 WT1 O ATOM 21080 H1 TIP3 7193 32.253 42.556 20.741 1.00 0.00 WT1 H ATOM 21081 H2 TIP3 7193 31.264 41.856 21.649 1.00 0.00 WT1 H ATOM 21082 OH2 TIP3 7194 40.508 12.985 42.923 1.00 0.00 WT1 O ATOM 21083 H1 TIP3 7194 40.018 13.209 42.132 1.00 0.00 WT1 H ATOM 21084 H2 TIP3 7194 40.223 12.097 43.139 1.00 0.00 WT1 H ATOM 21085 OH2 TIP3 7195 81.099 79.489 22.684 1.00 0.00 WT1 O ATOM 21086 H1 TIP3 7195 81.038 79.663 23.623 1.00 0.00 WT1 H ATOM 21087 H2 TIP3 7195 81.493 78.619 22.626 1.00 0.00 WT1 H ATOM 21088 OH2 TIP3 7196 43.869 59.636 10.773 1.00 0.00 WT1 O ATOM 21089 H1 TIP3 7196 44.636 60.203 10.853 1.00 0.00 WT1 H ATOM 21090 H2 TIP3 7196 44.034 58.921 11.389 1.00 0.00 WT1 H ATOM 21091 OH2 TIP3 7197 88.066 41.254 59.089 1.00 0.00 WT1 O ATOM 21092 H1 TIP3 7197 89.000 41.050 59.040 1.00 0.00 WT1 H ATOM 21093 H2 TIP3 7197 87.689 40.842 58.311 1.00 0.00 WT1 H ATOM 21094 OH2 TIP3 7198 32.192 44.888 4.107 1.00 0.00 WT1 O ATOM 21095 H1 TIP3 7198 31.333 44.465 4.119 1.00 0.00 WT1 H ATOM 21096 H2 TIP3 7198 32.766 44.278 4.572 1.00 0.00 WT1 H ATOM 21097 OH2 TIP3 7199 22.724 6.091 -7.522 1.00 0.00 WT1 O ATOM 21098 H1 TIP3 7199 23.423 6.733 -7.651 1.00 0.00 WT1 H ATOM 21099 H2 TIP3 7199 21.928 6.616 -7.443 1.00 0.00 WT1 H ATOM 21100 OH2 TIP3 7200 82.945 20.182 2.994 1.00 0.00 WT1 O ATOM 21101 H1 TIP3 7200 83.323 21.031 3.225 1.00 0.00 WT1 H ATOM 21102 H2 TIP3 7200 82.168 20.107 3.546 1.00 0.00 WT1 H ATOM 21103 OH2 TIP3 7201 33.717 28.132 -1.282 1.00 0.00 WT1 O ATOM 21104 H1 TIP3 7201 33.395 27.602 -0.553 1.00 0.00 WT1 H ATOM 21105 H2 TIP3 7201 34.262 28.802 -0.869 1.00 0.00 WT1 H ATOM 21106 OH2 TIP3 7202 47.581 19.008 31.035 1.00 0.00 WT1 O ATOM 21107 H1 TIP3 7202 48.208 18.649 31.663 1.00 0.00 WT1 H ATOM 21108 H2 TIP3 7202 48.021 19.776 30.669 1.00 0.00 WT1 H ATOM 21109 OH2 TIP3 7203 57.072 50.953 46.665 1.00 0.00 WT1 O ATOM 21110 H1 TIP3 7203 57.097 51.508 45.885 1.00 0.00 WT1 H ATOM 21111 H2 TIP3 7203 57.242 51.553 47.392 1.00 0.00 WT1 H ATOM 21112 OH2 TIP3 7204 74.764 29.838 21.317 1.00 0.00 WT1 O ATOM 21113 H1 TIP3 7204 74.168 29.110 21.492 1.00 0.00 WT1 H ATOM 21114 H2 TIP3 7204 74.709 30.386 22.101 1.00 0.00 WT1 H ATOM 21115 OH2 TIP3 7205 63.425 12.127 -0.942 1.00 0.00 WT1 O ATOM 21116 H1 TIP3 7205 63.997 12.610 -1.539 1.00 0.00 WT1 H ATOM 21117 H2 TIP3 7205 63.370 12.680 -0.162 1.00 0.00 WT1 H ATOM 21118 OH2 TIP3 7206 44.428 17.413 26.027 1.00 0.00 WT1 O ATOM 21119 H1 TIP3 7206 44.339 16.468 25.907 1.00 0.00 WT1 H ATOM 21120 H2 TIP3 7206 44.737 17.735 25.180 1.00 0.00 WT1 H ATOM 21121 OH2 TIP3 7207 61.482 71.045 43.112 1.00 0.00 WT1 O ATOM 21122 H1 TIP3 7207 61.048 71.898 43.136 1.00 0.00 WT1 H ATOM 21123 H2 TIP3 7207 62.362 71.232 42.785 1.00 0.00 WT1 H ATOM 21124 OH2 TIP3 7208 68.202 51.653 -9.006 1.00 0.00 WT1 O ATOM 21125 H1 TIP3 7208 68.987 51.749 -8.465 1.00 0.00 WT1 H ATOM 21126 H2 TIP3 7208 68.005 52.541 -9.302 1.00 0.00 WT1 H ATOM 21127 OH2 TIP3 7209 48.003 15.596 22.414 1.00 0.00 WT1 O ATOM 21128 H1 TIP3 7209 47.345 16.165 22.015 1.00 0.00 WT1 H ATOM 21129 H2 TIP3 7209 48.832 16.051 22.271 1.00 0.00 WT1 H ATOM 21130 OH2 TIP3 7210 79.324 51.964 4.478 1.00 0.00 WT1 O ATOM 21131 H1 TIP3 7210 79.273 52.888 4.235 1.00 0.00 WT1 H ATOM 21132 H2 TIP3 7210 79.157 51.954 5.420 1.00 0.00 WT1 H ATOM 21133 OH2 TIP3 7211 41.585 46.306 18.814 1.00 0.00 WT1 O ATOM 21134 H1 TIP3 7211 42.193 45.900 19.432 1.00 0.00 WT1 H ATOM 21135 H2 TIP3 7211 41.552 47.225 19.078 1.00 0.00 WT1 H ATOM 21136 OH2 TIP3 7212 57.655 17.627 31.853 1.00 0.00 WT1 O ATOM 21137 H1 TIP3 7212 56.897 18.025 31.424 1.00 0.00 WT1 H ATOM 21138 H2 TIP3 7212 58.322 17.582 31.168 1.00 0.00 WT1 H ATOM 21139 OH2 TIP3 7213 38.092 77.830 1.655 1.00 0.00 WT1 O ATOM 21140 H1 TIP3 7213 38.455 78.122 0.819 1.00 0.00 WT1 H ATOM 21141 H2 TIP3 7213 38.857 77.686 2.212 1.00 0.00 WT1 H ATOM 21142 OH2 TIP3 7215 81.018 92.929 35.449 1.00 0.00 WT1 O ATOM 21143 H1 TIP3 7215 81.651 92.774 34.747 1.00 0.00 WT1 H ATOM 21144 H2 TIP3 7215 81.160 92.208 36.063 1.00 0.00 WT1 H ATOM 21145 OH2 TIP3 7216 86.040 59.668 65.121 1.00 0.00 WT1 O ATOM 21146 H1 TIP3 7216 86.333 58.931 65.657 1.00 0.00 WT1 H ATOM 21147 H2 TIP3 7216 86.076 59.340 64.222 1.00 0.00 WT1 H ATOM 21148 OH2 TIP3 7217 27.314 18.515 -14.143 1.00 0.00 WT1 O ATOM 21149 H1 TIP3 7217 26.746 18.936 -13.498 1.00 0.00 WT1 H ATOM 21150 H2 TIP3 7217 26.768 17.833 -14.534 1.00 0.00 WT1 H ATOM 21151 OH2 TIP3 7219 67.957 55.329 2.798 1.00 0.00 WT1 O ATOM 21152 H1 TIP3 7219 68.502 55.927 3.309 1.00 0.00 WT1 H ATOM 21153 H2 TIP3 7219 68.268 55.429 1.899 1.00 0.00 WT1 H ATOM 21154 OH2 TIP3 7220 32.776 64.899 44.715 1.00 0.00 WT1 O ATOM 21155 H1 TIP3 7220 33.431 64.844 44.019 1.00 0.00 WT1 H ATOM 21156 H2 TIP3 7220 33.261 65.218 45.476 1.00 0.00 WT1 H ATOM 21157 OH2 TIP3 7221 72.130 30.611 62.310 1.00 0.00 WT1 O ATOM 21158 H1 TIP3 7221 71.356 31.102 62.035 1.00 0.00 WT1 H ATOM 21159 H2 TIP3 7221 72.624 31.225 62.853 1.00 0.00 WT1 H ATOM 21160 OH2 TIP3 7222 76.583 78.308 58.847 1.00 0.00 WT1 O ATOM 21161 H1 TIP3 7222 76.849 77.802 59.614 1.00 0.00 WT1 H ATOM 21162 H2 TIP3 7222 76.052 79.021 59.202 1.00 0.00 WT1 H ATOM 21163 OH2 TIP3 7223 56.186 12.423 24.514 1.00 0.00 WT1 O ATOM 21164 H1 TIP3 7223 56.727 12.354 25.301 1.00 0.00 WT1 H ATOM 21165 H2 TIP3 7223 55.415 11.890 24.706 1.00 0.00 WT1 H ATOM 21166 OH2 TIP3 7224 43.760 96.030 -15.175 1.00 0.00 WT1 O ATOM 21167 H1 TIP3 7224 44.229 96.726 -14.714 1.00 0.00 WT1 H ATOM 21168 H2 TIP3 7224 42.852 96.331 -15.205 1.00 0.00 WT1 H ATOM 21169 OH2 TIP3 7225 44.862 86.251 52.779 1.00 0.00 WT1 O ATOM 21170 H1 TIP3 7225 44.615 87.171 52.872 1.00 0.00 WT1 H ATOM 21171 H2 TIP3 7225 45.445 86.234 52.021 1.00 0.00 WT1 H ATOM 21172 OH2 TIP3 7226 89.277 31.731 49.299 1.00 0.00 WT1 O ATOM 21173 H1 TIP3 7226 90.165 32.013 49.079 1.00 0.00 WT1 H ATOM 21174 H2 TIP3 7226 88.729 32.493 49.109 1.00 0.00 WT1 H ATOM 21175 OH2 TIP3 7227 75.616 27.978 -8.453 1.00 0.00 WT1 O ATOM 21176 H1 TIP3 7227 75.371 28.578 -7.749 1.00 0.00 WT1 H ATOM 21177 H2 TIP3 7227 74.898 28.041 -9.083 1.00 0.00 WT1 H ATOM 21178 OH2 TIP3 7228 62.181 41.511 9.419 1.00 0.00 WT1 O ATOM 21179 H1 TIP3 7228 62.916 41.708 9.999 1.00 0.00 WT1 H ATOM 21180 H2 TIP3 7228 62.486 40.776 8.887 1.00 0.00 WT1 H ATOM 21181 OH2 TIP3 7229 35.976 0.358 -0.182 1.00 0.00 WT1 O ATOM 21182 H1 TIP3 7229 35.358 1.081 -0.076 1.00 0.00 WT1 H ATOM 21183 H2 TIP3 7229 35.623 -0.342 0.367 1.00 0.00 WT1 H ATOM 21184 OH2 TIP3 7230 37.763 29.463 8.627 1.00 0.00 WT1 O ATOM 21185 H1 TIP3 7230 37.638 28.956 9.429 1.00 0.00 WT1 H ATOM 21186 H2 TIP3 7230 37.482 30.349 8.857 1.00 0.00 WT1 H ATOM 21187 OH2 TIP3 7231 54.051 29.699 2.378 1.00 0.00 WT1 O ATOM 21188 H1 TIP3 7231 53.798 30.360 3.023 1.00 0.00 WT1 H ATOM 21189 H2 TIP3 7231 53.291 29.122 2.314 1.00 0.00 WT1 H ATOM 21190 OH2 TIP3 7232 67.164 42.780 52.983 1.00 0.00 WT1 O ATOM 21191 H1 TIP3 7232 67.063 41.857 52.748 1.00 0.00 WT1 H ATOM 21192 H2 TIP3 7232 66.376 42.988 53.484 1.00 0.00 WT1 H ATOM 21193 OH2 TIP3 7233 52.752 50.102 -5.471 1.00 0.00 WT1 O ATOM 21194 H1 TIP3 7233 52.766 50.980 -5.090 1.00 0.00 WT1 H ATOM 21195 H2 TIP3 7233 53.664 49.813 -5.440 1.00 0.00 WT1 H ATOM 21196 OH2 TIP3 7234 43.596 12.915 16.441 1.00 0.00 WT1 O ATOM 21197 H1 TIP3 7234 43.756 11.976 16.530 1.00 0.00 WT1 H ATOM 21198 H2 TIP3 7234 44.442 13.278 16.177 1.00 0.00 WT1 H ATOM 21199 OH2 TIP3 7235 40.995 4.995 -7.240 1.00 0.00 WT1 O ATOM 21200 H1 TIP3 7235 40.738 4.399 -6.537 1.00 0.00 WT1 H ATOM 21201 H2 TIP3 7235 40.854 5.870 -6.877 1.00 0.00 WT1 H ATOM 21202 OH2 TIP3 7236 89.262 19.193 57.467 1.00 0.00 WT1 O ATOM 21203 H1 TIP3 7236 88.338 19.444 57.467 1.00 0.00 WT1 H ATOM 21204 H2 TIP3 7236 89.731 20.002 57.258 1.00 0.00 WT1 H ATOM 21205 OH2 TIP3 7237 32.642 64.853 5.084 1.00 0.00 WT1 O ATOM 21206 H1 TIP3 7237 33.540 64.602 5.299 1.00 0.00 WT1 H ATOM 21207 H2 TIP3 7237 32.120 64.529 5.819 1.00 0.00 WT1 H ATOM 21208 OH2 TIP3 7238 29.956 16.440 7.468 1.00 0.00 WT1 O ATOM 21209 H1 TIP3 7238 30.587 15.960 6.932 1.00 0.00 WT1 H ATOM 21210 H2 TIP3 7238 29.867 17.288 7.032 1.00 0.00 WT1 H ATOM 21211 OH2 TIP3 7239 27.949 67.796 0.903 1.00 0.00 WT1 O ATOM 21212 H1 TIP3 7239 27.704 66.932 1.233 1.00 0.00 WT1 H ATOM 21213 H2 TIP3 7239 28.865 67.702 0.641 1.00 0.00 WT1 H ATOM 21214 OH2 TIP3 7240 76.689 16.316 45.123 1.00 0.00 WT1 O ATOM 21215 H1 TIP3 7240 76.707 15.523 44.588 1.00 0.00 WT1 H ATOM 21216 H2 TIP3 7240 76.125 16.920 44.639 1.00 0.00 WT1 H ATOM 21217 OH2 TIP3 7241 60.187 21.751 16.374 1.00 0.00 WT1 O ATOM 21218 H1 TIP3 7241 59.425 21.804 16.952 1.00 0.00 WT1 H ATOM 21219 H2 TIP3 7241 59.904 22.178 15.565 1.00 0.00 WT1 H ATOM 21220 OH2 TIP3 7242 89.285 38.142 48.825 1.00 0.00 WT1 O ATOM 21221 H1 TIP3 7242 89.992 37.863 49.407 1.00 0.00 WT1 H ATOM 21222 H2 TIP3 7242 88.822 38.820 49.317 1.00 0.00 WT1 H ATOM 21223 OH2 TIP3 7243 36.354 86.415 38.276 1.00 0.00 WT1 O ATOM 21224 H1 TIP3 7243 36.739 85.581 38.008 1.00 0.00 WT1 H ATOM 21225 H2 TIP3 7243 35.447 86.369 37.972 1.00 0.00 WT1 H ATOM 21226 OH2 TIP3 7244 71.848 46.138 34.770 1.00 0.00 WT1 O ATOM 21227 H1 TIP3 7244 72.239 46.152 33.897 1.00 0.00 WT1 H ATOM 21228 H2 TIP3 7244 71.383 46.972 34.838 1.00 0.00 WT1 H ATOM 21229 OH2 TIP3 7245 39.661 17.383 -14.642 1.00 0.00 WT1 O ATOM 21230 H1 TIP3 7245 39.770 16.567 -15.131 1.00 0.00 WT1 H ATOM 21231 H2 TIP3 7245 38.720 17.556 -14.673 1.00 0.00 WT1 H ATOM 21232 OH2 TIP3 7246 70.776 33.716 39.387 1.00 0.00 WT1 O ATOM 21233 H1 TIP3 7246 69.862 33.998 39.342 1.00 0.00 WT1 H ATOM 21234 H2 TIP3 7246 71.131 33.913 38.520 1.00 0.00 WT1 H ATOM 21235 OH2 TIP3 7247 60.601 27.844 42.188 1.00 0.00 WT1 O ATOM 21236 H1 TIP3 7247 60.756 28.464 41.476 1.00 0.00 WT1 H ATOM 21237 H2 TIP3 7247 60.623 28.379 42.982 1.00 0.00 WT1 H ATOM 21238 OH2 TIP3 7248 20.484 67.962 33.415 1.00 0.00 WT1 O ATOM 21239 H1 TIP3 7248 20.500 68.723 32.835 1.00 0.00 WT1 H ATOM 21240 H2 TIP3 7248 20.433 67.211 32.824 1.00 0.00 WT1 H ATOM 21241 OH2 TIP3 7249 26.627 53.129 -11.473 1.00 0.00 WT1 O ATOM 21242 H1 TIP3 7249 27.115 52.892 -10.685 1.00 0.00 WT1 H ATOM 21243 H2 TIP3 7249 26.134 53.911 -11.224 1.00 0.00 WT1 H ATOM 21244 OH2 TIP3 7250 33.044 5.908 8.477 1.00 0.00 WT1 O ATOM 21245 H1 TIP3 7250 33.796 5.761 9.050 1.00 0.00 WT1 H ATOM 21246 H2 TIP3 7250 33.303 5.526 7.638 1.00 0.00 WT1 H ATOM 21247 OH2 TIP3 7251 46.964 6.482 -7.498 1.00 0.00 WT1 O ATOM 21248 H1 TIP3 7251 46.806 7.372 -7.814 1.00 0.00 WT1 H ATOM 21249 H2 TIP3 7251 47.906 6.354 -7.602 1.00 0.00 WT1 H ATOM 21250 OH2 TIP3 7252 77.081 43.650 40.871 1.00 0.00 WT1 O ATOM 21251 H1 TIP3 7252 77.153 43.734 39.920 1.00 0.00 WT1 H ATOM 21252 H2 TIP3 7252 76.422 44.297 41.121 1.00 0.00 WT1 H ATOM 21253 OH2 TIP3 7253 20.613 33.529 42.192 1.00 0.00 WT1 O ATOM 21254 H1 TIP3 7253 20.806 34.227 41.567 1.00 0.00 WT1 H ATOM 21255 H2 TIP3 7253 20.706 33.942 43.051 1.00 0.00 WT1 H ATOM 21256 OH2 TIP3 7254 36.283 81.461 60.173 1.00 0.00 WT1 O ATOM 21257 H1 TIP3 7254 35.329 81.456 60.252 1.00 0.00 WT1 H ATOM 21258 H2 TIP3 7254 36.452 81.126 59.292 1.00 0.00 WT1 H ATOM 21259 OH2 TIP3 7255 80.897 51.826 9.109 1.00 0.00 WT1 O ATOM 21260 H1 TIP3 7255 80.560 52.169 9.936 1.00 0.00 WT1 H ATOM 21261 H2 TIP3 7255 80.364 51.051 8.935 1.00 0.00 WT1 H ATOM 21262 OH2 TIP3 7256 30.965 35.496 1.028 1.00 0.00 WT1 O ATOM 21263 H1 TIP3 7256 31.138 34.625 0.671 1.00 0.00 WT1 H ATOM 21264 H2 TIP3 7256 30.385 35.907 0.387 1.00 0.00 WT1 H ATOM 21265 OH2 TIP3 7257 37.200 77.467 27.118 1.00 0.00 WT1 O ATOM 21266 H1 TIP3 7257 37.249 76.538 26.895 1.00 0.00 WT1 H ATOM 21267 H2 TIP3 7257 38.087 77.796 26.972 1.00 0.00 WT1 H ATOM 21268 OH2 TIP3 7258 74.221 71.807 -18.796 1.00 0.00 WT1 O ATOM 21269 H1 TIP3 7258 73.525 72.231 -19.298 1.00 0.00 WT1 H ATOM 21270 H2 TIP3 7258 75.031 72.116 -19.202 1.00 0.00 WT1 H ATOM 21271 OH2 TIP3 7259 87.166 86.844 6.650 1.00 0.00 WT1 O ATOM 21272 H1 TIP3 7259 86.377 87.380 6.742 1.00 0.00 WT1 H ATOM 21273 H2 TIP3 7259 87.101 86.199 7.353 1.00 0.00 WT1 H ATOM 21274 OH2 TIP3 7260 76.807 46.614 -2.562 1.00 0.00 WT1 O ATOM 21275 H1 TIP3 7260 77.348 45.917 -2.191 1.00 0.00 WT1 H ATOM 21276 H2 TIP3 7260 76.886 47.336 -1.939 1.00 0.00 WT1 H ATOM 21277 OH2 TIP3 7261 31.326 12.284 44.145 1.00 0.00 WT1 O ATOM 21278 H1 TIP3 7261 31.163 11.368 44.371 1.00 0.00 WT1 H ATOM 21279 H2 TIP3 7261 31.220 12.757 44.970 1.00 0.00 WT1 H ATOM 21280 OH2 TIP3 7264 56.319 -0.016 36.958 1.00 0.00 WT1 O ATOM 21281 H1 TIP3 7264 57.257 -0.208 36.941 1.00 0.00 WT1 H ATOM 21282 H2 TIP3 7264 56.269 0.940 36.938 1.00 0.00 WT1 H ATOM 21283 OH2 TIP3 7265 85.748 53.623 55.729 1.00 0.00 WT1 O ATOM 21284 H1 TIP3 7265 84.930 54.004 55.409 1.00 0.00 WT1 H ATOM 21285 H2 TIP3 7265 86.244 54.370 56.066 1.00 0.00 WT1 H ATOM 21286 OH2 TIP3 7266 52.434 41.329 34.964 1.00 0.00 WT1 O ATOM 21287 H1 TIP3 7266 51.693 41.906 35.148 1.00 0.00 WT1 H ATOM 21288 H2 TIP3 7266 52.207 40.902 34.138 1.00 0.00 WT1 H ATOM 21289 OH2 TIP3 7267 71.907 76.677 64.918 1.00 0.00 WT1 O ATOM 21290 H1 TIP3 7267 71.024 76.399 65.162 1.00 0.00 WT1 H ATOM 21291 H2 TIP3 7267 71.857 77.633 64.886 1.00 0.00 WT1 H ATOM 21292 OH2 TIP3 7268 74.266 11.742 63.425 1.00 0.00 WT1 O ATOM 21293 H1 TIP3 7268 73.489 12.157 63.800 1.00 0.00 WT1 H ATOM 21294 H2 TIP3 7268 74.353 12.135 62.557 1.00 0.00 WT1 H ATOM 21295 OH2 TIP3 7269 79.195 8.587 54.708 1.00 0.00 WT1 O ATOM 21296 H1 TIP3 7269 79.358 7.650 54.604 1.00 0.00 WT1 H ATOM 21297 H2 TIP3 7269 79.844 8.874 55.351 1.00 0.00 WT1 H ATOM 21298 OH2 TIP3 7270 47.646 45.615 -15.840 1.00 0.00 WT1 O ATOM 21299 H1 TIP3 7270 47.049 46.053 -16.448 1.00 0.00 WT1 H ATOM 21300 H2 TIP3 7270 47.087 45.339 -15.113 1.00 0.00 WT1 H ATOM 21301 OH2 TIP3 7271 55.672 50.872 -0.764 1.00 0.00 WT1 O ATOM 21302 H1 TIP3 7271 55.211 51.552 -1.255 1.00 0.00 WT1 H ATOM 21303 H2 TIP3 7271 56.183 51.352 -0.113 1.00 0.00 WT1 H ATOM 21304 OH2 TIP3 7272 21.689 9.189 -18.822 1.00 0.00 WT1 O ATOM 21305 H1 TIP3 7272 21.888 8.283 -19.058 1.00 0.00 WT1 H ATOM 21306 H2 TIP3 7272 22.540 9.578 -18.622 1.00 0.00 WT1 H ATOM 21307 OH2 TIP3 7273 62.537 50.605 -19.955 1.00 0.00 WT1 O ATOM 21308 H1 TIP3 7273 62.488 50.808 -19.021 1.00 0.00 WT1 H ATOM 21309 H2 TIP3 7273 61.629 50.441 -20.212 1.00 0.00 WT1 H ATOM 21310 OH2 TIP3 7275 64.447 42.263 34.777 1.00 0.00 WT1 O ATOM 21311 H1 TIP3 7275 65.198 42.712 34.387 1.00 0.00 WT1 H ATOM 21312 H2 TIP3 7275 63.823 42.170 34.058 1.00 0.00 WT1 H ATOM 21313 OH2 TIP3 7276 89.311 34.645 49.269 1.00 0.00 WT1 O ATOM 21314 H1 TIP3 7276 89.994 34.466 49.916 1.00 0.00 WT1 H ATOM 21315 H2 TIP3 7276 89.623 35.418 48.799 1.00 0.00 WT1 H ATOM 21316 OH2 TIP3 7277 43.502 24.673 38.149 1.00 0.00 WT1 O ATOM 21317 H1 TIP3 7277 44.362 24.566 37.743 1.00 0.00 WT1 H ATOM 21318 H2 TIP3 7277 43.495 25.577 38.463 1.00 0.00 WT1 H ATOM 21319 OH2 TIP3 7278 55.727 26.729 -11.659 1.00 0.00 WT1 O ATOM 21320 H1 TIP3 7278 55.337 26.128 -11.024 1.00 0.00 WT1 H ATOM 21321 H2 TIP3 7278 55.818 27.555 -11.183 1.00 0.00 WT1 H ATOM 21322 OH2 TIP3 7279 61.504 43.624 34.801 1.00 0.00 WT1 O ATOM 21323 H1 TIP3 7279 62.320 43.255 34.463 1.00 0.00 WT1 H ATOM 21324 H2 TIP3 7279 61.760 44.465 35.179 1.00 0.00 WT1 H ATOM 21325 OH2 TIP3 7280 54.460 23.816 45.954 1.00 0.00 WT1 O ATOM 21326 H1 TIP3 7280 54.363 24.705 46.294 1.00 0.00 WT1 H ATOM 21327 H2 TIP3 7280 54.675 23.287 46.722 1.00 0.00 WT1 H ATOM 21328 OH2 TIP3 7281 41.224 77.455 50.637 1.00 0.00 WT1 O ATOM 21329 H1 TIP3 7281 40.360 77.651 50.276 1.00 0.00 WT1 H ATOM 21330 H2 TIP3 7281 41.791 77.373 49.870 1.00 0.00 WT1 H ATOM 21331 OH2 TIP3 7282 25.468 36.515 -15.215 1.00 0.00 WT1 O ATOM 21332 H1 TIP3 7282 24.810 35.833 -15.353 1.00 0.00 WT1 H ATOM 21333 H2 TIP3 7282 26.279 36.035 -15.047 1.00 0.00 WT1 H ATOM 21334 OH2 TIP3 7283 74.715 55.553 12.290 1.00 0.00 WT1 O ATOM 21335 H1 TIP3 7283 73.848 55.921 12.461 1.00 0.00 WT1 H ATOM 21336 H2 TIP3 7283 74.997 55.202 13.135 1.00 0.00 WT1 H ATOM 21337 OH2 TIP3 7284 21.644 92.951 31.496 1.00 0.00 WT1 O ATOM 21338 H1 TIP3 7284 21.261 92.745 32.348 1.00 0.00 WT1 H ATOM 21339 H2 TIP3 7284 22.435 92.413 31.453 1.00 0.00 WT1 H ATOM 21340 OH2 TIP3 7285 79.957 87.719 36.490 1.00 0.00 WT1 O ATOM 21341 H1 TIP3 7285 79.469 88.408 36.039 1.00 0.00 WT1 H ATOM 21342 H2 TIP3 7285 79.359 87.406 37.168 1.00 0.00 WT1 H ATOM 21343 OH2 TIP3 7286 88.397 52.927 46.168 1.00 0.00 WT1 O ATOM 21344 H1 TIP3 7286 87.864 52.139 46.273 1.00 0.00 WT1 H ATOM 21345 H2 TIP3 7286 88.586 53.209 47.063 1.00 0.00 WT1 H ATOM 21346 OH2 TIP3 7287 67.893 49.995 17.096 1.00 0.00 WT1 O ATOM 21347 H1 TIP3 7287 68.228 50.478 16.341 1.00 0.00 WT1 H ATOM 21348 H2 TIP3 7287 67.001 49.752 16.848 1.00 0.00 WT1 H ATOM 21349 OH2 TIP3 7288 85.980 32.320 -12.864 1.00 0.00 WT1 O ATOM 21350 H1 TIP3 7288 85.691 33.232 -12.874 1.00 0.00 WT1 H ATOM 21351 H2 TIP3 7288 86.334 32.190 -11.984 1.00 0.00 WT1 H ATOM 21352 OH2 TIP3 7289 85.156 94.305 -7.721 1.00 0.00 WT1 O ATOM 21353 H1 TIP3 7289 85.515 94.741 -8.493 1.00 0.00 WT1 H ATOM 21354 H2 TIP3 7289 84.571 94.954 -7.329 1.00 0.00 WT1 H ATOM 21355 OH2 TIP3 7290 64.149 29.955 27.101 1.00 0.00 WT1 O ATOM 21356 H1 TIP3 7290 64.029 30.795 26.657 1.00 0.00 WT1 H ATOM 21357 H2 TIP3 7290 64.089 29.304 26.402 1.00 0.00 WT1 H ATOM 21358 OH2 TIP3 7291 61.487 34.786 28.686 1.00 0.00 WT1 O ATOM 21359 H1 TIP3 7291 60.654 34.319 28.761 1.00 0.00 WT1 H ATOM 21360 H2 TIP3 7291 61.242 35.710 28.654 1.00 0.00 WT1 H ATOM 21361 OH2 TIP3 7293 75.528 15.762 -12.607 1.00 0.00 WT1 O ATOM 21362 H1 TIP3 7293 75.727 16.693 -12.713 1.00 0.00 WT1 H ATOM 21363 H2 TIP3 7293 74.720 15.746 -12.095 1.00 0.00 WT1 H ATOM 21364 OH2 TIP3 7294 85.604 60.552 9.164 1.00 0.00 WT1 O ATOM 21365 H1 TIP3 7294 86.077 59.814 9.548 1.00 0.00 WT1 H ATOM 21366 H2 TIP3 7294 84.797 60.611 9.676 1.00 0.00 WT1 H ATOM 21367 OH2 TIP3 7295 89.002 58.093 35.103 1.00 0.00 WT1 O ATOM 21368 H1 TIP3 7295 88.768 58.591 35.886 1.00 0.00 WT1 H ATOM 21369 H2 TIP3 7295 88.167 57.761 34.772 1.00 0.00 WT1 H ATOM 21370 OH2 TIP3 7297 52.409 1.863 15.709 1.00 0.00 WT1 O ATOM 21371 H1 TIP3 7297 52.510 1.051 15.211 1.00 0.00 WT1 H ATOM 21372 H2 TIP3 7297 52.592 1.614 16.615 1.00 0.00 WT1 H ATOM 21373 OH2 TIP3 7298 34.259 12.732 4.880 1.00 0.00 WT1 O ATOM 21374 H1 TIP3 7298 34.059 13.322 4.153 1.00 0.00 WT1 H ATOM 21375 H2 TIP3 7298 34.262 11.859 4.487 1.00 0.00 WT1 H ATOM 21376 OH2 TIP3 7299 56.832 26.291 -1.058 1.00 0.00 WT1 O ATOM 21377 H1 TIP3 7299 55.934 26.085 -1.318 1.00 0.00 WT1 H ATOM 21378 H2 TIP3 7299 57.283 26.479 -1.881 1.00 0.00 WT1 H ATOM 21379 OH2 TIP3 7300 67.033 92.685 -2.865 1.00 0.00 WT1 O ATOM 21380 H1 TIP3 7300 67.028 93.591 -2.558 1.00 0.00 WT1 H ATOM 21381 H2 TIP3 7300 66.182 92.570 -3.289 1.00 0.00 WT1 H ATOM 21382 OH2 TIP3 7301 22.392 91.274 -2.128 1.00 0.00 WT1 O ATOM 21383 H1 TIP3 7301 21.780 91.471 -1.418 1.00 0.00 WT1 H ATOM 21384 H2 TIP3 7301 22.699 90.387 -1.941 1.00 0.00 WT1 H ATOM 21385 OH2 TIP3 7302 77.909 33.956 8.911 1.00 0.00 WT1 O ATOM 21386 H1 TIP3 7302 77.473 33.254 9.394 1.00 0.00 WT1 H ATOM 21387 H2 TIP3 7302 77.932 34.691 9.525 1.00 0.00 WT1 H ATOM 21388 OH2 TIP3 7304 85.546 34.046 32.799 1.00 0.00 WT1 O ATOM 21389 H1 TIP3 7304 86.431 33.766 32.568 1.00 0.00 WT1 H ATOM 21390 H2 TIP3 7304 85.078 34.073 31.964 1.00 0.00 WT1 H ATOM 21391 OH2 TIP3 7305 85.534 31.231 -3.121 1.00 0.00 WT1 O ATOM 21392 H1 TIP3 7305 85.818 31.300 -2.210 1.00 0.00 WT1 H ATOM 21393 H2 TIP3 7305 85.652 32.112 -3.477 1.00 0.00 WT1 H ATOM 21394 OH2 TIP3 7306 83.630 0.987 -0.427 1.00 0.00 WT1 O ATOM 21395 H1 TIP3 7306 82.811 1.472 -0.532 1.00 0.00 WT1 H ATOM 21396 H2 TIP3 7306 84.041 1.021 -1.291 1.00 0.00 WT1 H ATOM 21397 OH2 TIP3 7307 48.312 36.027 -5.761 1.00 0.00 WT1 O ATOM 21398 H1 TIP3 7307 47.813 36.230 -6.552 1.00 0.00 WT1 H ATOM 21399 H2 TIP3 7307 48.855 36.801 -5.615 1.00 0.00 WT1 H ATOM 21400 OH2 TIP3 7309 29.544 35.386 38.402 1.00 0.00 WT1 O ATOM 21401 H1 TIP3 7309 29.024 36.116 38.066 1.00 0.00 WT1 H ATOM 21402 H2 TIP3 7309 29.870 34.943 37.618 1.00 0.00 WT1 H ATOM 21403 OH2 TIP3 7310 35.054 55.665 16.407 1.00 0.00 WT1 O ATOM 21404 H1 TIP3 7310 35.624 55.742 17.173 1.00 0.00 WT1 H ATOM 21405 H2 TIP3 7310 34.948 56.565 16.096 1.00 0.00 WT1 H ATOM 21406 OH2 TIP3 7312 87.843 62.033 8.087 1.00 0.00 WT1 O ATOM 21407 H1 TIP3 7312 87.733 61.846 7.155 1.00 0.00 WT1 H ATOM 21408 H2 TIP3 7312 87.312 61.370 8.528 1.00 0.00 WT1 H ATOM 21409 OH2 TIP3 7313 89.712 96.022 56.124 1.00 0.00 WT1 O ATOM 21410 H1 TIP3 7313 89.151 95.474 56.671 1.00 0.00 WT1 H ATOM 21411 H2 TIP3 7313 90.466 96.222 56.678 1.00 0.00 WT1 H ATOM 21412 OH2 TIP3 7314 36.114 13.380 63.237 1.00 0.00 WT1 O ATOM 21413 H1 TIP3 7314 35.749 12.594 63.643 1.00 0.00 WT1 H ATOM 21414 H2 TIP3 7314 36.124 13.185 62.300 1.00 0.00 WT1 H ATOM 21415 OH2 TIP3 7315 51.484 9.305 40.754 1.00 0.00 WT1 O ATOM 21416 H1 TIP3 7315 52.369 9.168 41.093 1.00 0.00 WT1 H ATOM 21417 H2 TIP3 7315 51.395 8.663 40.050 1.00 0.00 WT1 H ATOM 21418 OH2 TIP3 7318 82.702 40.235 51.554 1.00 0.00 WT1 O ATOM 21419 H1 TIP3 7318 82.418 41.122 51.333 1.00 0.00 WT1 H ATOM 21420 H2 TIP3 7318 82.516 40.150 52.489 1.00 0.00 WT1 H ATOM 21421 OH2 TIP3 7319 59.084 63.338 21.088 1.00 0.00 WT1 O ATOM 21422 H1 TIP3 7319 58.964 64.270 20.909 1.00 0.00 WT1 H ATOM 21423 H2 TIP3 7319 59.209 62.942 20.226 1.00 0.00 WT1 H ATOM 21424 OH2 TIP3 7320 63.825 8.442 48.999 1.00 0.00 WT1 O ATOM 21425 H1 TIP3 7320 63.111 8.853 48.510 1.00 0.00 WT1 H ATOM 21426 H2 TIP3 7320 64.232 7.845 48.372 1.00 0.00 WT1 H ATOM 21427 OH2 TIP3 7322 80.334 58.526 42.942 1.00 0.00 WT1 O ATOM 21428 H1 TIP3 7322 79.542 59.058 42.861 1.00 0.00 WT1 H ATOM 21429 H2 TIP3 7322 80.044 57.634 42.751 1.00 0.00 WT1 H ATOM 21430 OH2 TIP3 7323 80.880 49.932 -9.317 1.00 0.00 WT1 O ATOM 21431 H1 TIP3 7323 80.546 50.026 -8.425 1.00 0.00 WT1 H ATOM 21432 H2 TIP3 7323 81.800 49.692 -9.204 1.00 0.00 WT1 H ATOM 21433 OH2 TIP3 7324 34.962 80.167 -16.560 1.00 0.00 WT1 O ATOM 21434 H1 TIP3 7324 35.396 80.920 -16.963 1.00 0.00 WT1 H ATOM 21435 H2 TIP3 7324 35.167 80.244 -15.628 1.00 0.00 WT1 H ATOM 21436 OH2 TIP3 7325 20.835 30.562 4.310 1.00 0.00 WT1 O ATOM 21437 H1 TIP3 7325 21.419 31.042 3.723 1.00 0.00 WT1 H ATOM 21438 H2 TIP3 7325 20.336 29.985 3.732 1.00 0.00 WT1 H ATOM 21439 OH2 TIP3 7326 33.637 18.035 36.928 1.00 0.00 WT1 O ATOM 21440 H1 TIP3 7326 34.312 18.219 36.275 1.00 0.00 WT1 H ATOM 21441 H2 TIP3 7326 33.162 18.861 37.022 1.00 0.00 WT1 H ATOM 21442 OH2 TIP3 7328 69.798 17.867 6.665 1.00 0.00 WT1 O ATOM 21443 H1 TIP3 7328 69.272 18.297 7.339 1.00 0.00 WT1 H ATOM 21444 H2 TIP3 7328 69.878 18.520 5.970 1.00 0.00 WT1 H ATOM 21445 OH2 TIP3 7329 35.462 19.675 -6.613 1.00 0.00 WT1 O ATOM 21446 H1 TIP3 7329 36.016 20.444 -6.739 1.00 0.00 WT1 H ATOM 21447 H2 TIP3 7329 35.354 19.309 -7.491 1.00 0.00 WT1 H ATOM 21448 OH2 TIP3 7330 58.011 55.448 -4.973 1.00 0.00 WT1 O ATOM 21449 H1 TIP3 7330 57.715 55.951 -5.732 1.00 0.00 WT1 H ATOM 21450 H2 TIP3 7330 57.205 55.121 -4.574 1.00 0.00 WT1 H ATOM 21451 OH2 TIP3 7331 27.576 20.254 -5.068 1.00 0.00 WT1 O ATOM 21452 H1 TIP3 7331 27.818 19.776 -4.275 1.00 0.00 WT1 H ATOM 21453 H2 TIP3 7331 27.874 21.149 -4.910 1.00 0.00 WT1 H ATOM 21454 OH2 TIP3 7332 60.094 48.370 53.513 1.00 0.00 WT1 O ATOM 21455 H1 TIP3 7332 60.738 47.668 53.606 1.00 0.00 WT1 H ATOM 21456 H2 TIP3 7332 59.579 48.123 52.745 1.00 0.00 WT1 H ATOM 21457 OH2 TIP3 7333 72.715 55.458 40.091 1.00 0.00 WT1 O ATOM 21458 H1 TIP3 7333 72.549 55.548 39.153 1.00 0.00 WT1 H ATOM 21459 H2 TIP3 7333 73.014 56.325 40.366 1.00 0.00 WT1 H ATOM 21460 OH2 TIP3 7334 77.362 65.096 15.772 1.00 0.00 WT1 O ATOM 21461 H1 TIP3 7334 77.411 64.299 16.299 1.00 0.00 WT1 H ATOM 21462 H2 TIP3 7334 76.434 65.330 15.776 1.00 0.00 WT1 H ATOM 21463 OH2 TIP3 7335 66.723 47.710 0.833 1.00 0.00 WT1 O ATOM 21464 H1 TIP3 7335 66.756 47.787 1.786 1.00 0.00 WT1 H ATOM 21465 H2 TIP3 7335 67.453 48.245 0.523 1.00 0.00 WT1 H ATOM 21466 OH2 TIP3 7336 75.597 46.580 40.762 1.00 0.00 WT1 O ATOM 21467 H1 TIP3 7336 74.964 46.325 40.091 1.00 0.00 WT1 H ATOM 21468 H2 TIP3 7336 76.339 46.932 40.271 1.00 0.00 WT1 H ATOM 21469 OH2 TIP3 7337 23.313 60.638 14.836 1.00 0.00 WT1 O ATOM 21470 H1 TIP3 7337 24.157 60.944 14.504 1.00 0.00 WT1 H ATOM 21471 H2 TIP3 7337 23.121 61.219 15.573 1.00 0.00 WT1 H ATOM 21472 OH2 TIP3 7338 84.487 23.352 58.045 1.00 0.00 WT1 O ATOM 21473 H1 TIP3 7338 83.634 23.448 58.468 1.00 0.00 WT1 H ATOM 21474 H2 TIP3 7338 84.284 23.240 57.117 1.00 0.00 WT1 H ATOM 21475 OH2 TIP3 7339 29.202 16.737 50.331 1.00 0.00 WT1 O ATOM 21476 H1 TIP3 7339 29.571 17.428 50.881 1.00 0.00 WT1 H ATOM 21477 H2 TIP3 7339 28.405 17.121 49.966 1.00 0.00 WT1 H ATOM 21478 OH2 TIP3 7340 34.322 77.964 60.740 1.00 0.00 WT1 O ATOM 21479 H1 TIP3 7340 35.113 78.043 60.206 1.00 0.00 WT1 H ATOM 21480 H2 TIP3 7340 34.566 77.361 61.442 1.00 0.00 WT1 H ATOM 21481 OH2 TIP3 7342 51.240 51.032 58.517 1.00 0.00 WT1 O ATOM 21482 H1 TIP3 7342 50.379 51.445 58.453 1.00 0.00 WT1 H ATOM 21483 H2 TIP3 7342 51.745 51.416 57.800 1.00 0.00 WT1 H ATOM 21484 OH2 TIP3 7343 38.364 48.282 -14.508 1.00 0.00 WT1 O ATOM 21485 H1 TIP3 7343 39.315 48.266 -14.403 1.00 0.00 WT1 H ATOM 21486 H2 TIP3 7343 38.226 48.619 -15.393 1.00 0.00 WT1 H ATOM 21487 OH2 TIP3 7344 69.265 58.378 -0.448 1.00 0.00 WT1 O ATOM 21488 H1 TIP3 7344 69.112 58.810 0.392 1.00 0.00 WT1 H ATOM 21489 H2 TIP3 7344 69.564 57.499 -0.215 1.00 0.00 WT1 H ATOM 21490 OH2 TIP3 7346 71.670 1.909 61.211 1.00 0.00 WT1 O ATOM 21491 H1 TIP3 7346 72.466 2.234 60.791 1.00 0.00 WT1 H ATOM 21492 H2 TIP3 7346 71.569 2.457 61.989 1.00 0.00 WT1 H ATOM 21493 OH2 TIP3 7348 56.233 68.572 -19.700 1.00 0.00 WT1 O ATOM 21494 H1 TIP3 7348 56.837 69.303 -19.569 1.00 0.00 WT1 H ATOM 21495 H2 TIP3 7348 55.643 68.611 -18.947 1.00 0.00 WT1 H ATOM 21496 OH2 TIP3 7350 50.373 63.762 -18.013 1.00 0.00 WT1 O ATOM 21497 H1 TIP3 7350 49.435 63.763 -18.202 1.00 0.00 WT1 H ATOM 21498 H2 TIP3 7350 50.657 62.870 -18.211 1.00 0.00 WT1 H ATOM 21499 OH2 TIP3 7351 57.126 0.290 45.903 1.00 0.00 WT1 O ATOM 21500 H1 TIP3 7351 57.846 0.602 45.356 1.00 0.00 WT1 H ATOM 21501 H2 TIP3 7351 56.419 0.103 45.286 1.00 0.00 WT1 H ATOM 21502 OH2 TIP3 7352 32.330 0.621 61.860 1.00 0.00 WT1 O ATOM 21503 H1 TIP3 7352 32.493 0.336 60.961 1.00 0.00 WT1 H ATOM 21504 H2 TIP3 7352 33.195 0.849 62.201 1.00 0.00 WT1 H ATOM 21505 OH2 TIP3 7353 88.250 94.585 13.554 1.00 0.00 WT1 O ATOM 21506 H1 TIP3 7353 87.390 94.461 13.151 1.00 0.00 WT1 H ATOM 21507 H2 TIP3 7353 88.750 93.811 13.296 1.00 0.00 WT1 H ATOM 21508 OH2 TIP3 7354 81.611 35.378 -10.223 1.00 0.00 WT1 O ATOM 21509 H1 TIP3 7354 81.433 34.819 -9.466 1.00 0.00 WT1 H ATOM 21510 H2 TIP3 7354 81.588 36.269 -9.873 1.00 0.00 WT1 H ATOM 21511 OH2 TIP3 7355 85.160 37.355 -17.111 1.00 0.00 WT1 O ATOM 21512 H1 TIP3 7355 85.434 38.257 -17.280 1.00 0.00 WT1 H ATOM 21513 H2 TIP3 7355 84.333 37.440 -16.638 1.00 0.00 WT1 H ATOM 21514 OH2 TIP3 7356 27.063 42.189 65.147 1.00 0.00 WT1 O ATOM 21515 H1 TIP3 7356 26.650 42.658 65.873 1.00 0.00 WT1 H ATOM 21516 H2 TIP3 7356 27.999 42.354 65.256 1.00 0.00 WT1 H ATOM 21517 OH2 TIP3 7357 21.560 85.562 10.490 1.00 0.00 WT1 O ATOM 21518 H1 TIP3 7357 20.608 85.640 10.432 1.00 0.00 WT1 H ATOM 21519 H2 TIP3 7357 21.707 84.705 10.891 1.00 0.00 WT1 H ATOM 21520 OH2 TIP3 7358 83.616 63.618 -0.115 1.00 0.00 WT1 O ATOM 21521 H1 TIP3 7358 84.108 64.176 0.487 1.00 0.00 WT1 H ATOM 21522 H2 TIP3 7358 83.720 64.037 -0.970 1.00 0.00 WT1 H ATOM 21523 OH2 TIP3 7359 89.678 34.138 19.614 1.00 0.00 WT1 O ATOM 21524 H1 TIP3 7359 90.595 34.307 19.831 1.00 0.00 WT1 H ATOM 21525 H2 TIP3 7359 89.712 33.649 18.792 1.00 0.00 WT1 H ATOM 21526 OH2 TIP3 7360 58.969 21.361 40.020 1.00 0.00 WT1 O ATOM 21527 H1 TIP3 7360 59.361 21.021 39.215 1.00 0.00 WT1 H ATOM 21528 H2 TIP3 7360 58.060 21.064 39.988 1.00 0.00 WT1 H ATOM 21529 OH2 TIP3 7362 34.589 16.338 3.168 1.00 0.00 WT1 O ATOM 21530 H1 TIP3 7362 34.448 17.172 3.615 1.00 0.00 WT1 H ATOM 21531 H2 TIP3 7362 33.759 16.158 2.727 1.00 0.00 WT1 H ATOM 21532 OH2 TIP3 7363 45.631 23.450 -12.205 1.00 0.00 WT1 O ATOM 21533 H1 TIP3 7363 44.753 23.818 -12.309 1.00 0.00 WT1 H ATOM 21534 H2 TIP3 7363 45.790 23.473 -11.261 1.00 0.00 WT1 H ATOM 21535 OH2 TIP3 7364 62.608 44.247 -10.658 1.00 0.00 WT1 O ATOM 21536 H1 TIP3 7364 61.873 44.780 -10.355 1.00 0.00 WT1 H ATOM 21537 H2 TIP3 7364 62.200 43.481 -11.061 1.00 0.00 WT1 H ATOM 21538 OH2 TIP3 7365 60.431 66.688 -8.081 1.00 0.00 WT1 O ATOM 21539 H1 TIP3 7365 61.079 67.391 -8.035 1.00 0.00 WT1 H ATOM 21540 H2 TIP3 7365 59.672 67.030 -7.609 1.00 0.00 WT1 H ATOM 21541 OH2 TIP3 7366 83.679 2.637 2.473 1.00 0.00 WT1 O ATOM 21542 H1 TIP3 7366 82.867 2.444 2.941 1.00 0.00 WT1 H ATOM 21543 H2 TIP3 7366 83.794 1.898 1.875 1.00 0.00 WT1 H ATOM 21544 OH2 TIP3 7367 72.524 85.413 -4.629 1.00 0.00 WT1 O ATOM 21545 H1 TIP3 7367 71.884 84.994 -4.055 1.00 0.00 WT1 H ATOM 21546 H2 TIP3 7367 71.997 85.903 -5.260 1.00 0.00 WT1 H ATOM 21547 OH2 TIP3 7369 46.851 38.832 10.555 1.00 0.00 WT1 O ATOM 21548 H1 TIP3 7369 47.731 38.476 10.677 1.00 0.00 WT1 H ATOM 21549 H2 TIP3 7369 46.346 38.481 11.289 1.00 0.00 WT1 H ATOM 21550 OH2 TIP3 7370 38.618 61.253 -15.573 1.00 0.00 WT1 O ATOM 21551 H1 TIP3 7370 39.230 61.919 -15.260 1.00 0.00 WT1 H ATOM 21552 H2 TIP3 7370 38.274 60.850 -14.776 1.00 0.00 WT1 H ATOM 21553 OH2 TIP3 7371 24.488 94.559 18.135 1.00 0.00 WT1 O ATOM 21554 H1 TIP3 7371 24.194 95.029 18.915 1.00 0.00 WT1 H ATOM 21555 H2 TIP3 7371 25.204 95.091 17.789 1.00 0.00 WT1 H ATOM 21556 OH2 TIP3 7372 43.333 18.475 44.647 1.00 0.00 WT1 O ATOM 21557 H1 TIP3 7372 43.918 19.119 44.248 1.00 0.00 WT1 H ATOM 21558 H2 TIP3 7372 43.323 17.744 44.029 1.00 0.00 WT1 H ATOM 21559 OH2 TIP3 7373 54.101 23.687 10.916 1.00 0.00 WT1 O ATOM 21560 H1 TIP3 7373 53.852 23.660 11.840 1.00 0.00 WT1 H ATOM 21561 H2 TIP3 7373 53.868 24.570 10.630 1.00 0.00 WT1 H ATOM 21562 OH2 TIP3 7374 55.895 78.689 37.769 1.00 0.00 WT1 O ATOM 21563 H1 TIP3 7374 56.288 77.943 37.317 1.00 0.00 WT1 H ATOM 21564 H2 TIP3 7374 56.480 78.859 38.507 1.00 0.00 WT1 H ATOM 21565 OH2 TIP3 7376 80.425 21.228 -17.953 1.00 0.00 WT1 O ATOM 21566 H1 TIP3 7376 80.499 21.958 -17.339 1.00 0.00 WT1 H ATOM 21567 H2 TIP3 7376 80.804 20.483 -17.488 1.00 0.00 WT1 H ATOM 21568 OH2 TIP3 7378 70.704 93.233 2.399 1.00 0.00 WT1 O ATOM 21569 H1 TIP3 7378 69.747 93.228 2.378 1.00 0.00 WT1 H ATOM 21570 H2 TIP3 7378 70.924 93.648 3.232 1.00 0.00 WT1 H ATOM 21571 OH2 TIP3 7379 59.602 27.545 3.957 1.00 0.00 WT1 O ATOM 21572 H1 TIP3 7379 58.830 28.054 4.205 1.00 0.00 WT1 H ATOM 21573 H2 TIP3 7379 60.203 28.189 3.581 1.00 0.00 WT1 H ATOM 21574 OH2 TIP3 7380 24.073 65.161 57.259 1.00 0.00 WT1 O ATOM 21575 H1 TIP3 7380 23.925 66.106 57.295 1.00 0.00 WT1 H ATOM 21576 H2 TIP3 7380 24.876 65.064 56.747 1.00 0.00 WT1 H ATOM 21577 OH2 TIP3 7381 83.992 39.806 -7.417 1.00 0.00 WT1 O ATOM 21578 H1 TIP3 7381 83.146 40.198 -7.203 1.00 0.00 WT1 H ATOM 21579 H2 TIP3 7381 84.092 39.092 -6.787 1.00 0.00 WT1 H ATOM 21580 OH2 TIP3 7382 54.733 70.364 1.390 1.00 0.00 WT1 O ATOM 21581 H1 TIP3 7382 54.194 69.626 1.672 1.00 0.00 WT1 H ATOM 21582 H2 TIP3 7382 54.919 70.847 2.195 1.00 0.00 WT1 H ATOM 21583 OH2 TIP3 7383 76.514 31.589 43.299 1.00 0.00 WT1 O ATOM 21584 H1 TIP3 7383 77.234 32.198 43.133 1.00 0.00 WT1 H ATOM 21585 H2 TIP3 7383 76.938 30.735 43.384 1.00 0.00 WT1 H ATOM 21586 OH2 TIP3 7384 59.354 56.440 20.612 1.00 0.00 WT1 O ATOM 21587 H1 TIP3 7384 58.512 56.008 20.759 1.00 0.00 WT1 H ATOM 21588 H2 TIP3 7384 59.126 57.291 20.240 1.00 0.00 WT1 H ATOM 21589 OH2 TIP3 7385 28.066 55.722 39.876 1.00 0.00 WT1 O ATOM 21590 H1 TIP3 7385 27.166 55.831 39.568 1.00 0.00 WT1 H ATOM 21591 H2 TIP3 7385 28.495 55.214 39.187 1.00 0.00 WT1 H ATOM 21592 OH2 TIP3 7387 38.085 51.136 46.997 1.00 0.00 WT1 O ATOM 21593 H1 TIP3 7387 38.788 51.638 46.584 1.00 0.00 WT1 H ATOM 21594 H2 TIP3 7387 38.534 50.553 47.609 1.00 0.00 WT1 H ATOM 21595 OH2 TIP3 7388 40.587 21.320 -2.971 1.00 0.00 WT1 O ATOM 21596 H1 TIP3 7388 40.970 22.162 -2.726 1.00 0.00 WT1 H ATOM 21597 H2 TIP3 7388 41.203 20.669 -2.633 1.00 0.00 WT1 H ATOM 21598 OH2 TIP3 7389 22.828 29.131 -16.557 1.00 0.00 WT1 O ATOM 21599 H1 TIP3 7389 21.934 29.465 -16.627 1.00 0.00 WT1 H ATOM 21600 H2 TIP3 7389 23.061 29.260 -15.638 1.00 0.00 WT1 H ATOM 21601 OH2 TIP3 7390 77.552 37.596 32.653 1.00 0.00 WT1 O ATOM 21602 H1 TIP3 7390 77.567 36.704 32.305 1.00 0.00 WT1 H ATOM 21603 H2 TIP3 7390 77.082 37.522 33.483 1.00 0.00 WT1 H ATOM 21604 OH2 TIP3 7391 82.064 49.469 22.894 1.00 0.00 WT1 O ATOM 21605 H1 TIP3 7391 81.178 49.181 22.672 1.00 0.00 WT1 H ATOM 21606 H2 TIP3 7391 82.018 49.692 23.824 1.00 0.00 WT1 H ATOM 21607 OH2 TIP3 7392 22.601 79.106 3.259 1.00 0.00 WT1 O ATOM 21608 H1 TIP3 7392 23.178 78.529 2.759 1.00 0.00 WT1 H ATOM 21609 H2 TIP3 7392 22.102 78.516 3.824 1.00 0.00 WT1 H ATOM 21610 OH2 TIP3 7393 84.528 29.226 3.712 1.00 0.00 WT1 O ATOM 21611 H1 TIP3 7393 85.310 29.615 4.104 1.00 0.00 WT1 H ATOM 21612 H2 TIP3 7393 83.865 29.915 3.764 1.00 0.00 WT1 H ATOM 21613 OH2 TIP3 7394 38.355 29.678 50.595 1.00 0.00 WT1 O ATOM 21614 H1 TIP3 7394 39.198 29.418 50.966 1.00 0.00 WT1 H ATOM 21615 H2 TIP3 7394 37.728 29.537 51.304 1.00 0.00 WT1 H ATOM 21616 OH2 TIP3 7395 28.217 25.170 26.280 1.00 0.00 WT1 O ATOM 21617 H1 TIP3 7395 28.112 24.303 26.672 1.00 0.00 WT1 H ATOM 21618 H2 TIP3 7395 28.796 25.026 25.531 1.00 0.00 WT1 H ATOM 21619 OH2 TIP3 7396 28.325 76.368 12.887 1.00 0.00 WT1 O ATOM 21620 H1 TIP3 7396 27.549 76.920 12.787 1.00 0.00 WT1 H ATOM 21621 H2 TIP3 7396 28.602 76.505 13.792 1.00 0.00 WT1 H ATOM 21622 OH2 TIP3 7397 60.832 7.559 16.015 1.00 0.00 WT1 O ATOM 21623 H1 TIP3 7397 60.350 6.779 15.742 1.00 0.00 WT1 H ATOM 21624 H2 TIP3 7397 61.436 7.733 15.292 1.00 0.00 WT1 H ATOM 21625 OH2 TIP3 7398 74.724 17.812 -16.224 1.00 0.00 WT1 O ATOM 21626 H1 TIP3 7398 75.013 16.900 -16.267 1.00 0.00 WT1 H ATOM 21627 H2 TIP3 7398 74.907 18.163 -17.096 1.00 0.00 WT1 H ATOM 21628 OH2 TIP3 7399 75.903 35.236 -3.727 1.00 0.00 WT1 O ATOM 21629 H1 TIP3 7399 75.179 35.243 -3.102 1.00 0.00 WT1 H ATOM 21630 H2 TIP3 7399 76.625 34.822 -3.254 1.00 0.00 WT1 H ATOM 21631 OH2 TIP3 7400 61.292 60.961 28.459 1.00 0.00 WT1 O ATOM 21632 H1 TIP3 7400 60.431 60.550 28.528 1.00 0.00 WT1 H ATOM 21633 H2 TIP3 7400 61.192 61.612 27.764 1.00 0.00 WT1 H ATOM 21634 OH2 TIP3 7401 61.385 34.714 -6.316 1.00 0.00 WT1 O ATOM 21635 H1 TIP3 7401 61.852 33.890 -6.175 1.00 0.00 WT1 H ATOM 21636 H2 TIP3 7401 61.481 34.887 -7.252 1.00 0.00 WT1 H ATOM 21637 OH2 TIP3 7403 63.122 32.725 -14.821 1.00 0.00 WT1 O ATOM 21638 H1 TIP3 7403 62.516 33.366 -15.193 1.00 0.00 WT1 H ATOM 21639 H2 TIP3 7403 62.951 32.751 -13.880 1.00 0.00 WT1 H ATOM 21640 OH2 TIP3 7408 76.243 53.447 8.401 1.00 0.00 WT1 O ATOM 21641 H1 TIP3 7408 76.284 54.342 8.063 1.00 0.00 WT1 H ATOM 21642 H2 TIP3 7408 75.733 53.520 9.208 1.00 0.00 WT1 H ATOM 21643 OH2 TIP3 7409 63.703 36.427 -10.072 1.00 0.00 WT1 O ATOM 21644 H1 TIP3 7409 63.453 37.208 -9.577 1.00 0.00 WT1 H ATOM 21645 H2 TIP3 7409 63.122 35.740 -9.745 1.00 0.00 WT1 H ATOM 21646 OH2 TIP3 7410 41.662 76.851 -3.925 1.00 0.00 WT1 O ATOM 21647 H1 TIP3 7410 41.109 76.454 -3.252 1.00 0.00 WT1 H ATOM 21648 H2 TIP3 7410 42.427 76.278 -3.975 1.00 0.00 WT1 H ATOM 21649 OH2 TIP3 7411 27.998 62.554 10.658 1.00 0.00 WT1 O ATOM 21650 H1 TIP3 7411 27.948 62.590 11.613 1.00 0.00 WT1 H ATOM 21651 H2 TIP3 7411 27.278 63.109 10.359 1.00 0.00 WT1 H ATOM 21652 OH2 TIP3 7412 84.231 70.071 -14.908 1.00 0.00 WT1 O ATOM 21653 H1 TIP3 7412 83.424 70.163 -14.402 1.00 0.00 WT1 H ATOM 21654 H2 TIP3 7412 83.950 69.703 -15.745 1.00 0.00 WT1 H ATOM 21655 OH2 TIP3 7413 83.891 76.085 21.939 1.00 0.00 WT1 O ATOM 21656 H1 TIP3 7413 84.248 76.532 21.171 1.00 0.00 WT1 H ATOM 21657 H2 TIP3 7413 83.713 75.194 21.636 1.00 0.00 WT1 H ATOM 21658 OH2 TIP3 7414 80.461 54.163 58.043 1.00 0.00 WT1 O ATOM 21659 H1 TIP3 7414 79.569 54.128 57.697 1.00 0.00 WT1 H ATOM 21660 H2 TIP3 7414 80.547 55.049 58.395 1.00 0.00 WT1 H ATOM 21661 OH2 TIP3 7415 73.439 55.553 27.954 1.00 0.00 WT1 O ATOM 21662 H1 TIP3 7415 73.853 55.836 27.138 1.00 0.00 WT1 H ATOM 21663 H2 TIP3 7415 72.503 55.684 27.807 1.00 0.00 WT1 H ATOM 21664 OH2 TIP3 7416 45.722 40.038 53.600 1.00 0.00 WT1 O ATOM 21665 H1 TIP3 7416 46.281 39.640 52.933 1.00 0.00 WT1 H ATOM 21666 H2 TIP3 7416 45.720 40.971 53.386 1.00 0.00 WT1 H ATOM 21667 OH2 TIP3 7417 52.273 1.531 45.185 1.00 0.00 WT1 O ATOM 21668 H1 TIP3 7417 51.408 1.136 45.080 1.00 0.00 WT1 H ATOM 21669 H2 TIP3 7417 52.726 1.339 44.363 1.00 0.00 WT1 H ATOM 21670 OH2 TIP3 7418 36.937 27.376 -12.735 1.00 0.00 WT1 O ATOM 21671 H1 TIP3 7418 36.544 28.208 -12.473 1.00 0.00 WT1 H ATOM 21672 H2 TIP3 7418 37.526 27.151 -12.015 1.00 0.00 WT1 H ATOM 21673 OH2 TIP3 7419 48.927 39.230 22.061 1.00 0.00 WT1 O ATOM 21674 H1 TIP3 7419 49.461 39.477 21.305 1.00 0.00 WT1 H ATOM 21675 H2 TIP3 7419 49.173 39.855 22.742 1.00 0.00 WT1 H ATOM 21676 OH2 TIP3 7420 74.553 66.112 -2.661 1.00 0.00 WT1 O ATOM 21677 H1 TIP3 7420 73.630 66.334 -2.782 1.00 0.00 WT1 H ATOM 21678 H2 TIP3 7420 74.595 65.727 -1.785 1.00 0.00 WT1 H ATOM 21679 OH2 TIP3 7421 86.784 53.974 25.258 1.00 0.00 WT1 O ATOM 21680 H1 TIP3 7421 86.022 53.467 25.539 1.00 0.00 WT1 H ATOM 21681 H2 TIP3 7421 86.425 54.643 24.674 1.00 0.00 WT1 H ATOM 21682 OH2 TIP3 7422 35.271 58.787 -12.362 1.00 0.00 WT1 O ATOM 21683 H1 TIP3 7422 35.046 58.904 -11.439 1.00 0.00 WT1 H ATOM 21684 H2 TIP3 7422 35.571 57.880 -12.424 1.00 0.00 WT1 H ATOM 21685 OH2 TIP3 7423 21.246 91.313 7.549 1.00 0.00 WT1 O ATOM 21686 H1 TIP3 7423 21.654 90.684 8.144 1.00 0.00 WT1 H ATOM 21687 H2 TIP3 7423 21.045 92.070 8.101 1.00 0.00 WT1 H ATOM 21688 OH2 TIP3 7424 71.665 6.846 8.303 1.00 0.00 WT1 O ATOM 21689 H1 TIP3 7424 71.775 7.796 8.262 1.00 0.00 WT1 H ATOM 21690 H2 TIP3 7424 70.757 6.699 8.037 1.00 0.00 WT1 H ATOM 21691 OH2 TIP3 7426 21.434 26.554 27.902 1.00 0.00 WT1 O ATOM 21692 H1 TIP3 7426 20.950 27.186 27.370 1.00 0.00 WT1 H ATOM 21693 H2 TIP3 7426 21.744 25.900 27.275 1.00 0.00 WT1 H ATOM 21694 OH2 TIP3 7427 73.829 50.770 11.013 1.00 0.00 WT1 O ATOM 21695 H1 TIP3 7427 73.468 50.046 11.526 1.00 0.00 WT1 H ATOM 21696 H2 TIP3 7427 73.897 50.424 10.124 1.00 0.00 WT1 H ATOM 21697 OH2 TIP3 7428 22.242 36.426 60.891 1.00 0.00 WT1 O ATOM 21698 H1 TIP3 7428 22.121 36.784 60.012 1.00 0.00 WT1 H ATOM 21699 H2 TIP3 7428 21.904 35.533 60.836 1.00 0.00 WT1 H ATOM 21700 OH2 TIP3 7429 31.921 42.631 36.537 1.00 0.00 WT1 O ATOM 21701 H1 TIP3 7429 31.483 41.793 36.391 1.00 0.00 WT1 H ATOM 21702 H2 TIP3 7429 31.738 43.138 35.746 1.00 0.00 WT1 H ATOM 21703 OH2 TIP3 7430 79.173 70.691 8.310 1.00 0.00 WT1 O ATOM 21704 H1 TIP3 7430 78.222 70.708 8.208 1.00 0.00 WT1 H ATOM 21705 H2 TIP3 7430 79.446 69.880 7.883 1.00 0.00 WT1 H ATOM 21706 OH2 TIP3 7431 45.200 84.175 21.042 1.00 0.00 WT1 O ATOM 21707 H1 TIP3 7431 44.369 84.220 20.570 1.00 0.00 WT1 H ATOM 21708 H2 TIP3 7431 45.697 83.493 20.590 1.00 0.00 WT1 H ATOM 21709 OH2 TIP3 7432 23.499 12.931 2.574 1.00 0.00 WT1 O ATOM 21710 H1 TIP3 7432 23.499 13.732 3.099 1.00 0.00 WT1 H ATOM 21711 H2 TIP3 7432 23.318 13.228 1.683 1.00 0.00 WT1 H ATOM 21712 OH2 TIP3 7433 28.505 66.710 5.598 1.00 0.00 WT1 O ATOM 21713 H1 TIP3 7433 28.600 65.928 6.142 1.00 0.00 WT1 H ATOM 21714 H2 TIP3 7433 28.900 67.411 6.116 1.00 0.00 WT1 H ATOM 21715 OH2 TIP3 7434 50.640 44.886 -11.087 1.00 0.00 WT1 O ATOM 21716 H1 TIP3 7434 50.793 45.782 -11.385 1.00 0.00 WT1 H ATOM 21717 H2 TIP3 7434 51.408 44.399 -11.384 1.00 0.00 WT1 H ATOM 21718 OH2 TIP3 7435 48.647 92.187 4.552 1.00 0.00 WT1 O ATOM 21719 H1 TIP3 7435 48.090 92.941 4.741 1.00 0.00 WT1 H ATOM 21720 H2 TIP3 7435 49.005 91.933 5.403 1.00 0.00 WT1 H ATOM 21721 OH2 TIP3 7436 52.068 5.907 43.688 1.00 0.00 WT1 O ATOM 21722 H1 TIP3 7436 52.590 5.200 43.311 1.00 0.00 WT1 H ATOM 21723 H2 TIP3 7436 51.848 5.601 44.568 1.00 0.00 WT1 H ATOM 21724 OH2 TIP3 7437 35.156 11.648 -1.293 1.00 0.00 WT1 O ATOM 21725 H1 TIP3 7437 35.380 12.034 -2.140 1.00 0.00 WT1 H ATOM 21726 H2 TIP3 7437 34.765 10.802 -1.510 1.00 0.00 WT1 H ATOM 21727 OH2 TIP3 7439 28.735 24.851 -7.221 1.00 0.00 WT1 O ATOM 21728 H1 TIP3 7439 27.903 24.900 -7.692 1.00 0.00 WT1 H ATOM 21729 H2 TIP3 7439 29.215 25.631 -7.499 1.00 0.00 WT1 H ATOM 21730 OH2 TIP3 7440 67.170 66.219 -12.127 1.00 0.00 WT1 O ATOM 21731 H1 TIP3 7440 66.520 66.816 -12.499 1.00 0.00 WT1 H ATOM 21732 H2 TIP3 7440 67.853 66.162 -12.796 1.00 0.00 WT1 H ATOM 21733 OH2 TIP3 7441 83.467 37.045 9.162 1.00 0.00 WT1 O ATOM 21734 H1 TIP3 7441 84.353 37.144 8.814 1.00 0.00 WT1 H ATOM 21735 H2 TIP3 7441 83.590 36.922 10.103 1.00 0.00 WT1 H ATOM 21736 OH2 TIP3 7442 51.553 80.332 11.772 1.00 0.00 WT1 O ATOM 21737 H1 TIP3 7442 52.381 80.709 11.473 1.00 0.00 WT1 H ATOM 21738 H2 TIP3 7442 51.362 79.640 11.139 1.00 0.00 WT1 H ATOM 21739 OH2 TIP3 7443 49.571 25.073 -13.488 1.00 0.00 WT1 O ATOM 21740 H1 TIP3 7443 49.439 25.998 -13.696 1.00 0.00 WT1 H ATOM 21741 H2 TIP3 7443 50.327 24.814 -14.015 1.00 0.00 WT1 H ATOM 21742 OH2 TIP3 7445 70.799 51.369 2.984 1.00 0.00 WT1 O ATOM 21743 H1 TIP3 7445 70.068 51.966 2.825 1.00 0.00 WT1 H ATOM 21744 H2 TIP3 7445 70.455 50.726 3.603 1.00 0.00 WT1 H ATOM 21745 OH2 TIP3 7447 39.402 3.311 -14.942 1.00 0.00 WT1 O ATOM 21746 H1 TIP3 7447 38.893 4.022 -15.332 1.00 0.00 WT1 H ATOM 21747 H2 TIP3 7447 39.322 3.449 -13.998 1.00 0.00 WT1 H ATOM 21748 OH2 TIP3 7448 70.949 67.085 31.024 1.00 0.00 WT1 O ATOM 21749 H1 TIP3 7448 70.642 66.301 31.481 1.00 0.00 WT1 H ATOM 21750 H2 TIP3 7448 70.658 66.965 30.120 1.00 0.00 WT1 H ATOM 21751 OH2 TIP3 7450 44.720 80.004 34.068 1.00 0.00 WT1 O ATOM 21752 H1 TIP3 7450 45.262 79.300 33.711 1.00 0.00 WT1 H ATOM 21753 H2 TIP3 7450 43.841 79.628 34.119 1.00 0.00 WT1 H ATOM 21754 OH2 TIP3 7451 22.380 15.725 34.194 1.00 0.00 WT1 O ATOM 21755 H1 TIP3 7451 22.181 16.659 34.264 1.00 0.00 WT1 H ATOM 21756 H2 TIP3 7451 22.221 15.379 35.072 1.00 0.00 WT1 H ATOM 21757 OH2 TIP3 7452 61.681 72.474 39.279 1.00 0.00 WT1 O ATOM 21758 H1 TIP3 7452 61.173 71.942 39.891 1.00 0.00 WT1 H ATOM 21759 H2 TIP3 7452 61.113 72.568 38.514 1.00 0.00 WT1 H ATOM 21760 OH2 TIP3 7454 70.260 55.873 48.772 1.00 0.00 WT1 O ATOM 21761 H1 TIP3 7454 69.831 55.019 48.723 1.00 0.00 WT1 H ATOM 21762 H2 TIP3 7454 69.734 56.370 49.399 1.00 0.00 WT1 H ATOM 21763 OH2 TIP3 7455 36.062 75.511 -18.180 1.00 0.00 WT1 O ATOM 21764 H1 TIP3 7455 36.748 75.257 -18.797 1.00 0.00 WT1 H ATOM 21765 H2 TIP3 7455 35.969 74.755 -17.600 1.00 0.00 WT1 H ATOM 21766 OH2 TIP3 7456 50.376 92.135 9.719 1.00 0.00 WT1 O ATOM 21767 H1 TIP3 7456 50.281 93.079 9.846 1.00 0.00 WT1 H ATOM 21768 H2 TIP3 7456 50.447 91.780 10.605 1.00 0.00 WT1 H ATOM 21769 OH2 TIP3 7457 64.680 81.297 60.020 1.00 0.00 WT1 O ATOM 21770 H1 TIP3 7457 64.451 80.512 59.524 1.00 0.00 WT1 H ATOM 21771 H2 TIP3 7457 64.040 81.952 59.741 1.00 0.00 WT1 H ATOM 21772 OH2 TIP3 7458 84.273 70.403 49.070 1.00 0.00 WT1 O ATOM 21773 H1 TIP3 7458 83.397 70.072 49.269 1.00 0.00 WT1 H ATOM 21774 H2 TIP3 7458 84.731 69.654 48.688 1.00 0.00 WT1 H ATOM 21775 OH2 TIP3 7459 86.469 76.163 52.089 1.00 0.00 WT1 O ATOM 21776 H1 TIP3 7459 85.879 76.836 52.428 1.00 0.00 WT1 H ATOM 21777 H2 TIP3 7459 87.063 76.636 51.506 1.00 0.00 WT1 H ATOM 21778 OH2 TIP3 7461 60.504 40.699 52.406 1.00 0.00 WT1 O ATOM 21779 H1 TIP3 7461 60.107 39.928 52.810 1.00 0.00 WT1 H ATOM 21780 H2 TIP3 7461 59.955 41.429 52.694 1.00 0.00 WT1 H ATOM 21781 OH2 TIP3 7462 25.732 45.678 28.883 1.00 0.00 WT1 O ATOM 21782 H1 TIP3 7462 25.658 46.628 28.794 1.00 0.00 WT1 H ATOM 21783 H2 TIP3 7462 24.829 45.362 28.836 1.00 0.00 WT1 H ATOM 21784 OH2 TIP3 7463 27.026 28.362 34.967 1.00 0.00 WT1 O ATOM 21785 H1 TIP3 7463 26.742 28.195 34.069 1.00 0.00 WT1 H ATOM 21786 H2 TIP3 7463 26.268 28.131 35.505 1.00 0.00 WT1 H ATOM 21787 OH2 TIP3 7464 43.966 43.935 -14.868 1.00 0.00 WT1 O ATOM 21788 H1 TIP3 7464 44.800 44.132 -14.442 1.00 0.00 WT1 H ATOM 21789 H2 TIP3 7464 43.491 44.766 -14.859 1.00 0.00 WT1 H ATOM 21790 OH2 TIP3 7465 44.950 74.331 54.001 1.00 0.00 WT1 O ATOM 21791 H1 TIP3 7465 44.697 74.900 53.274 1.00 0.00 WT1 H ATOM 21792 H2 TIP3 7465 45.906 74.379 54.021 1.00 0.00 WT1 H ATOM 21793 OH2 TIP3 7466 60.918 66.023 27.849 1.00 0.00 WT1 O ATOM 21794 H1 TIP3 7466 59.982 65.999 28.045 1.00 0.00 WT1 H ATOM 21795 H2 TIP3 7466 60.989 65.655 26.969 1.00 0.00 WT1 H ATOM 21796 OH2 TIP3 7467 45.827 44.714 57.969 1.00 0.00 WT1 O ATOM 21797 H1 TIP3 7467 45.815 45.671 57.938 1.00 0.00 WT1 H ATOM 21798 H2 TIP3 7467 46.431 44.506 58.682 1.00 0.00 WT1 H ATOM 21799 OH2 TIP3 7468 23.125 43.554 48.214 1.00 0.00 WT1 O ATOM 21800 H1 TIP3 7468 22.902 44.457 48.440 1.00 0.00 WT1 H ATOM 21801 H2 TIP3 7468 23.499 43.191 49.017 1.00 0.00 WT1 H ATOM 21802 OH2 TIP3 7469 80.806 67.582 53.632 1.00 0.00 WT1 O ATOM 21803 H1 TIP3 7469 81.743 67.777 53.624 1.00 0.00 WT1 H ATOM 21804 H2 TIP3 7469 80.383 68.441 53.636 1.00 0.00 WT1 H ATOM 21805 OH2 TIP3 7470 82.479 67.758 -13.566 1.00 0.00 WT1 O ATOM 21806 H1 TIP3 7470 81.664 67.693 -13.069 1.00 0.00 WT1 H ATOM 21807 H2 TIP3 7470 82.411 68.591 -14.032 1.00 0.00 WT1 H ATOM 21808 OH2 TIP3 7471 37.476 49.232 8.232 1.00 0.00 WT1 O ATOM 21809 H1 TIP3 7471 36.606 49.300 7.837 1.00 0.00 WT1 H ATOM 21810 H2 TIP3 7471 37.318 48.845 9.094 1.00 0.00 WT1 H ATOM 21811 OH2 TIP3 7472 26.529 28.769 32.165 1.00 0.00 WT1 O ATOM 21812 H1 TIP3 7472 26.001 28.074 31.772 1.00 0.00 WT1 H ATOM 21813 H2 TIP3 7472 26.283 29.559 31.685 1.00 0.00 WT1 H ATOM 21814 OH2 TIP3 7473 68.182 26.825 27.949 1.00 0.00 WT1 O ATOM 21815 H1 TIP3 7473 68.925 26.724 27.355 1.00 0.00 WT1 H ATOM 21816 H2 TIP3 7473 67.472 27.145 27.393 1.00 0.00 WT1 H ATOM 21817 OH2 TIP3 7474 66.285 19.044 52.808 1.00 0.00 WT1 O ATOM 21818 H1 TIP3 7474 65.896 18.418 52.196 1.00 0.00 WT1 H ATOM 21819 H2 TIP3 7474 66.642 18.502 53.511 1.00 0.00 WT1 H ATOM 21820 OH2 TIP3 7475 90.241 43.726 6.479 1.00 0.00 WT1 O ATOM 21821 H1 TIP3 7475 90.337 43.452 5.567 1.00 0.00 WT1 H ATOM 21822 H2 TIP3 7475 89.612 43.108 6.851 1.00 0.00 WT1 H ATOM 21823 OH2 TIP3 7476 65.058 70.608 44.057 1.00 0.00 WT1 O ATOM 21824 H1 TIP3 7476 64.361 70.544 44.710 1.00 0.00 WT1 H ATOM 21825 H2 TIP3 7476 65.502 69.761 44.096 1.00 0.00 WT1 H ATOM 21826 OH2 TIP3 7477 66.987 21.768 -6.097 1.00 0.00 WT1 O ATOM 21827 H1 TIP3 7477 67.526 21.788 -6.888 1.00 0.00 WT1 H ATOM 21828 H2 TIP3 7477 67.490 21.238 -5.478 1.00 0.00 WT1 H ATOM 21829 OH2 TIP3 7478 84.408 67.614 10.701 1.00 0.00 WT1 O ATOM 21830 H1 TIP3 7478 83.693 67.040 10.978 1.00 0.00 WT1 H ATOM 21831 H2 TIP3 7478 84.189 67.852 9.800 1.00 0.00 WT1 H ATOM 21832 OH2 TIP3 7479 46.098 86.756 42.794 1.00 0.00 WT1 O ATOM 21833 H1 TIP3 7479 45.945 85.869 43.121 1.00 0.00 WT1 H ATOM 21834 H2 TIP3 7479 45.561 87.314 43.356 1.00 0.00 WT1 H ATOM 21835 OH2 TIP3 7480 31.296 68.127 -12.061 1.00 0.00 WT1 O ATOM 21836 H1 TIP3 7480 31.634 67.641 -11.309 1.00 0.00 WT1 H ATOM 21837 H2 TIP3 7480 32.076 68.379 -12.554 1.00 0.00 WT1 H ATOM 21838 OH2 TIP3 7481 51.320 0.044 49.536 1.00 0.00 WT1 O ATOM 21839 H1 TIP3 7481 51.935 0.696 49.200 1.00 0.00 WT1 H ATOM 21840 H2 TIP3 7481 51.367 0.138 50.488 1.00 0.00 WT1 H ATOM 21841 OH2 TIP3 7483 77.674 16.908 10.057 1.00 0.00 WT1 O ATOM 21842 H1 TIP3 7483 77.371 16.745 9.163 1.00 0.00 WT1 H ATOM 21843 H2 TIP3 7483 76.873 16.933 10.581 1.00 0.00 WT1 H ATOM 21844 OH2 TIP3 7485 53.805 11.572 9.875 1.00 0.00 WT1 O ATOM 21845 H1 TIP3 7485 52.990 11.156 10.157 1.00 0.00 WT1 H ATOM 21846 H2 TIP3 7485 53.535 12.202 9.207 1.00 0.00 WT1 H ATOM 21847 OH2 TIP3 7486 24.580 88.395 22.921 1.00 0.00 WT1 O ATOM 21848 H1 TIP3 7486 25.345 87.835 22.795 1.00 0.00 WT1 H ATOM 21849 H2 TIP3 7486 24.187 88.465 22.051 1.00 0.00 WT1 H ATOM 21850 OH2 TIP3 7487 61.779 77.547 4.186 1.00 0.00 WT1 O ATOM 21851 H1 TIP3 7487 62.384 76.855 4.454 1.00 0.00 WT1 H ATOM 21852 H2 TIP3 7487 61.054 77.487 4.808 1.00 0.00 WT1 H ATOM 21853 OH2 TIP3 7489 25.372 82.863 9.299 1.00 0.00 WT1 O ATOM 21854 H1 TIP3 7489 25.454 81.939 9.060 1.00 0.00 WT1 H ATOM 21855 H2 TIP3 7489 25.355 82.863 10.256 1.00 0.00 WT1 H ATOM 21856 OH2 TIP3 7490 30.121 83.133 61.100 1.00 0.00 WT1 O ATOM 21857 H1 TIP3 7490 30.564 83.196 60.254 1.00 0.00 WT1 H ATOM 21858 H2 TIP3 7490 29.407 82.514 60.952 1.00 0.00 WT1 H ATOM 21859 OH2 TIP3 7491 71.747 73.518 -12.129 1.00 0.00 WT1 O ATOM 21860 H1 TIP3 7491 71.127 74.189 -11.845 1.00 0.00 WT1 H ATOM 21861 H2 TIP3 7491 71.943 73.021 -11.335 1.00 0.00 WT1 H ATOM 21862 OH2 TIP3 7492 81.548 51.596 13.381 1.00 0.00 WT1 O ATOM 21863 H1 TIP3 7492 82.144 51.370 12.666 1.00 0.00 WT1 H ATOM 21864 H2 TIP3 7492 81.896 51.127 14.140 1.00 0.00 WT1 H ATOM 21865 OH2 TIP3 7493 89.202 85.382 34.201 1.00 0.00 WT1 O ATOM 21866 H1 TIP3 7493 89.832 85.660 33.537 1.00 0.00 WT1 H ATOM 21867 H2 TIP3 7493 88.489 86.018 34.137 1.00 0.00 WT1 H ATOM 21868 OH2 TIP3 7494 76.199 14.428 60.761 1.00 0.00 WT1 O ATOM 21869 H1 TIP3 7494 76.908 14.081 61.302 1.00 0.00 WT1 H ATOM 21870 H2 TIP3 7494 75.903 13.678 60.244 1.00 0.00 WT1 H ATOM 21871 OH2 TIP3 7495 63.563 4.186 -8.878 1.00 0.00 WT1 O ATOM 21872 H1 TIP3 7495 64.413 4.461 -9.223 1.00 0.00 WT1 H ATOM 21873 H2 TIP3 7495 63.746 3.916 -7.978 1.00 0.00 WT1 H ATOM 21874 OH2 TIP3 7496 51.921 13.988 62.363 1.00 0.00 WT1 O ATOM 21875 H1 TIP3 7496 52.637 14.058 61.732 1.00 0.00 WT1 H ATOM 21876 H2 TIP3 7496 51.367 13.287 62.020 1.00 0.00 WT1 H ATOM 21877 OH2 TIP3 7497 70.261 80.042 31.647 1.00 0.00 WT1 O ATOM 21878 H1 TIP3 7497 70.029 80.882 32.042 1.00 0.00 WT1 H ATOM 21879 H2 TIP3 7497 71.158 80.163 31.336 1.00 0.00 WT1 H ATOM 21880 OH2 TIP3 7498 23.354 87.493 11.104 1.00 0.00 WT1 O ATOM 21881 H1 TIP3 7498 22.528 87.009 11.111 1.00 0.00 WT1 H ATOM 21882 H2 TIP3 7498 23.973 86.919 11.555 1.00 0.00 WT1 H ATOM 21883 OH2 TIP3 7499 69.957 67.181 9.383 1.00 0.00 WT1 O ATOM 21884 H1 TIP3 7499 70.160 66.348 9.807 1.00 0.00 WT1 H ATOM 21885 H2 TIP3 7499 69.002 67.195 9.324 1.00 0.00 WT1 H ATOM 21886 OH2 TIP3 7500 27.886 93.800 39.200 1.00 0.00 WT1 O ATOM 21887 H1 TIP3 7500 28.100 94.519 39.795 1.00 0.00 WT1 H ATOM 21888 H2 TIP3 7500 27.305 94.193 38.549 1.00 0.00 WT1 H ATOM 21889 OH2 TIP3 7501 79.690 65.754 2.099 1.00 0.00 WT1 O ATOM 21890 H1 TIP3 7501 80.268 65.026 1.870 1.00 0.00 WT1 H ATOM 21891 H2 TIP3 7501 79.042 65.776 1.395 1.00 0.00 WT1 H ATOM 21892 OH2 TIP3 7502 70.930 75.231 -2.421 1.00 0.00 WT1 O ATOM 21893 H1 TIP3 7502 70.740 75.925 -1.789 1.00 0.00 WT1 H ATOM 21894 H2 TIP3 7502 70.879 75.662 -3.274 1.00 0.00 WT1 H ATOM 21895 OH2 TIP3 7503 43.054 85.047 37.843 1.00 0.00 WT1 O ATOM 21896 H1 TIP3 7503 42.872 84.235 37.371 1.00 0.00 WT1 H ATOM 21897 H2 TIP3 7503 43.842 85.396 37.424 1.00 0.00 WT1 H ATOM 21898 OH2 TIP3 7504 56.144 26.583 21.297 1.00 0.00 WT1 O ATOM 21899 H1 TIP3 7504 56.854 26.808 21.898 1.00 0.00 WT1 H ATOM 21900 H2 TIP3 7504 55.925 27.409 20.865 1.00 0.00 WT1 H ATOM 21901 OH2 TIP3 7505 54.776 49.254 66.722 1.00 0.00 WT1 O ATOM 21902 H1 TIP3 7505 54.865 49.461 67.652 1.00 0.00 WT1 H ATOM 21903 H2 TIP3 7505 53.864 49.458 66.516 1.00 0.00 WT1 H ATOM 21904 OH2 TIP3 7506 56.120 90.353 46.802 1.00 0.00 WT1 O ATOM 21905 H1 TIP3 7506 56.896 90.187 46.267 1.00 0.00 WT1 H ATOM 21906 H2 TIP3 7506 56.388 90.124 47.692 1.00 0.00 WT1 H ATOM 21907 OH2 TIP3 7507 89.971 96.240 14.822 1.00 0.00 WT1 O ATOM 21908 H1 TIP3 7507 90.792 95.748 14.829 1.00 0.00 WT1 H ATOM 21909 H2 TIP3 7507 89.360 95.682 14.342 1.00 0.00 WT1 H ATOM 21910 OH2 TIP3 7508 57.555 6.661 16.178 1.00 0.00 WT1 O ATOM 21911 H1 TIP3 7508 57.986 5.872 16.507 1.00 0.00 WT1 H ATOM 21912 H2 TIP3 7508 56.890 6.864 16.835 1.00 0.00 WT1 H ATOM 21913 OH2 TIP3 7509 66.757 52.158 12.026 1.00 0.00 WT1 O ATOM 21914 H1 TIP3 7509 66.293 52.008 11.201 1.00 0.00 WT1 H ATOM 21915 H2 TIP3 7509 66.119 52.606 12.581 1.00 0.00 WT1 H ATOM 21916 OH2 TIP3 7510 27.808 70.125 -11.709 1.00 0.00 WT1 O ATOM 21917 H1 TIP3 7510 28.224 69.463 -12.260 1.00 0.00 WT1 H ATOM 21918 H2 TIP3 7510 27.220 69.629 -11.140 1.00 0.00 WT1 H ATOM 21919 OH2 TIP3 7511 37.974 80.185 47.297 1.00 0.00 WT1 O ATOM 21920 H1 TIP3 7511 37.151 79.845 46.946 1.00 0.00 WT1 H ATOM 21921 H2 TIP3 7511 37.813 81.121 47.421 1.00 0.00 WT1 H ATOM 21922 OH2 TIP3 7512 64.576 64.283 33.887 1.00 0.00 WT1 O ATOM 21923 H1 TIP3 7512 64.752 64.933 33.207 1.00 0.00 WT1 H ATOM 21924 H2 TIP3 7512 63.814 63.800 33.566 1.00 0.00 WT1 H ATOM 21925 OH2 TIP3 7513 48.214 87.407 54.719 1.00 0.00 WT1 O ATOM 21926 H1 TIP3 7513 48.644 86.612 54.402 1.00 0.00 WT1 H ATOM 21927 H2 TIP3 7513 47.279 87.232 54.613 1.00 0.00 WT1 H ATOM 21928 OH2 TIP3 7514 22.821 47.373 55.425 1.00 0.00 WT1 O ATOM 21929 H1 TIP3 7514 22.871 47.972 54.680 1.00 0.00 WT1 H ATOM 21930 H2 TIP3 7514 22.809 46.500 55.032 1.00 0.00 WT1 H ATOM 21931 OH2 TIP3 7515 21.160 55.174 12.883 1.00 0.00 WT1 O ATOM 21932 H1 TIP3 7515 21.239 56.020 13.325 1.00 0.00 WT1 H ATOM 21933 H2 TIP3 7515 20.651 55.362 12.094 1.00 0.00 WT1 H ATOM 21934 OH2 TIP3 7516 36.193 88.222 -14.434 1.00 0.00 WT1 O ATOM 21935 H1 TIP3 7516 37.140 88.091 -14.393 1.00 0.00 WT1 H ATOM 21936 H2 TIP3 7516 35.875 87.949 -13.573 1.00 0.00 WT1 H ATOM 21937 OH2 TIP3 7517 47.065 35.936 57.742 1.00 0.00 WT1 O ATOM 21938 H1 TIP3 7517 47.935 35.863 58.135 1.00 0.00 WT1 H ATOM 21939 H2 TIP3 7517 46.471 35.592 58.409 1.00 0.00 WT1 H ATOM 21940 OH2 TIP3 7518 68.225 43.162 36.920 1.00 0.00 WT1 O ATOM 21941 H1 TIP3 7518 69.102 43.535 37.010 1.00 0.00 WT1 H ATOM 21942 H2 TIP3 7518 68.049 42.754 37.768 1.00 0.00 WT1 H ATOM 21943 OH2 TIP3 7519 83.678 6.556 -5.633 1.00 0.00 WT1 O ATOM 21944 H1 TIP3 7519 82.893 6.095 -5.335 1.00 0.00 WT1 H ATOM 21945 H2 TIP3 7519 83.576 7.446 -5.296 1.00 0.00 WT1 H ATOM 21946 OH2 TIP3 7520 86.133 93.323 26.815 1.00 0.00 WT1 O ATOM 21947 H1 TIP3 7520 86.761 93.688 26.192 1.00 0.00 WT1 H ATOM 21948 H2 TIP3 7520 85.456 92.924 26.268 1.00 0.00 WT1 H ATOM 21949 OH2 TIP3 7521 57.950 51.948 49.266 1.00 0.00 WT1 O ATOM 21950 H1 TIP3 7521 58.226 51.379 49.985 1.00 0.00 WT1 H ATOM 21951 H2 TIP3 7521 58.767 52.302 48.915 1.00 0.00 WT1 H ATOM 21952 OH2 TIP3 7522 83.767 48.316 -14.502 1.00 0.00 WT1 O ATOM 21953 H1 TIP3 7522 83.758 47.547 -15.071 1.00 0.00 WT1 H ATOM 21954 H2 TIP3 7522 84.664 48.645 -14.557 1.00 0.00 WT1 H ATOM 21955 OH2 TIP3 7523 41.884 28.614 0.464 1.00 0.00 WT1 O ATOM 21956 H1 TIP3 7523 41.238 28.707 -0.236 1.00 0.00 WT1 H ATOM 21957 H2 TIP3 7523 42.239 29.495 0.581 1.00 0.00 WT1 H ATOM 21958 OH2 TIP3 7524 61.731 64.485 66.299 1.00 0.00 WT1 O ATOM 21959 H1 TIP3 7524 62.420 65.115 66.090 1.00 0.00 WT1 H ATOM 21960 H2 TIP3 7524 61.170 64.476 65.524 1.00 0.00 WT1 H ATOM 21961 OH2 TIP3 7525 64.274 24.194 11.967 1.00 0.00 WT1 O ATOM 21962 H1 TIP3 7525 64.429 23.309 11.635 1.00 0.00 WT1 H ATOM 21963 H2 TIP3 7525 63.429 24.139 12.412 1.00 0.00 WT1 H ATOM 21964 OH2 TIP3 7526 22.463 30.212 50.670 1.00 0.00 WT1 O ATOM 21965 H1 TIP3 7526 22.297 29.678 49.893 1.00 0.00 WT1 H ATOM 21966 H2 TIP3 7526 21.674 30.744 50.770 1.00 0.00 WT1 H ATOM 21967 OH2 TIP3 7527 74.337 92.392 32.578 1.00 0.00 WT1 O ATOM 21968 H1 TIP3 7527 74.206 92.662 33.486 1.00 0.00 WT1 H ATOM 21969 H2 TIP3 7527 74.430 93.212 32.094 1.00 0.00 WT1 H ATOM 21970 OH2 TIP3 7529 31.542 24.815 6.667 1.00 0.00 WT1 O ATOM 21971 H1 TIP3 7529 31.488 25.362 7.450 1.00 0.00 WT1 H ATOM 21972 H2 TIP3 7529 31.950 25.377 6.009 1.00 0.00 WT1 H ATOM 21973 OH2 TIP3 7530 37.955 9.435 -4.317 1.00 0.00 WT1 O ATOM 21974 H1 TIP3 7530 37.237 9.661 -4.909 1.00 0.00 WT1 H ATOM 21975 H2 TIP3 7530 37.526 9.236 -3.485 1.00 0.00 WT1 H ATOM 21976 OH2 TIP3 7531 68.045 94.176 20.948 1.00 0.00 WT1 O ATOM 21977 H1 TIP3 7531 67.454 93.452 20.738 1.00 0.00 WT1 H ATOM 21978 H2 TIP3 7531 68.002 94.750 20.183 1.00 0.00 WT1 H ATOM 21979 OH2 TIP3 7532 42.170 79.163 -1.301 1.00 0.00 WT1 O ATOM 21980 H1 TIP3 7532 42.721 78.418 -1.542 1.00 0.00 WT1 H ATOM 21981 H2 TIP3 7532 42.687 79.644 -0.655 1.00 0.00 WT1 H ATOM 21982 OH2 TIP3 7534 76.372 35.176 37.004 1.00 0.00 WT1 O ATOM 21983 H1 TIP3 7534 75.876 35.581 37.715 1.00 0.00 WT1 H ATOM 21984 H2 TIP3 7534 76.536 34.282 37.305 1.00 0.00 WT1 H ATOM 21985 OH2 TIP3 7535 22.960 62.420 19.960 1.00 0.00 WT1 O ATOM 21986 H1 TIP3 7535 22.308 61.791 19.651 1.00 0.00 WT1 H ATOM 21987 H2 TIP3 7535 23.304 62.034 20.765 1.00 0.00 WT1 H ATOM 21988 OH2 TIP3 7536 73.157 34.548 40.579 1.00 0.00 WT1 O ATOM 21989 H1 TIP3 7536 72.397 34.241 40.085 1.00 0.00 WT1 H ATOM 21990 H2 TIP3 7536 73.268 35.459 40.308 1.00 0.00 WT1 H ATOM 21991 OH2 TIP3 7537 72.186 26.721 -17.167 1.00 0.00 WT1 O ATOM 21992 H1 TIP3 7537 72.083 27.483 -17.736 1.00 0.00 WT1 H ATOM 21993 H2 TIP3 7537 72.860 26.192 -17.593 1.00 0.00 WT1 H ATOM 21994 OH2 TIP3 7538 51.314 93.196 27.542 1.00 0.00 WT1 O ATOM 21995 H1 TIP3 7538 50.819 93.956 27.847 1.00 0.00 WT1 H ATOM 21996 H2 TIP3 7538 52.096 93.568 27.133 1.00 0.00 WT1 H ATOM 21997 OH2 TIP3 7539 65.296 86.071 33.312 1.00 0.00 WT1 O ATOM 21998 H1 TIP3 7539 64.404 86.418 33.294 1.00 0.00 WT1 H ATOM 21999 H2 TIP3 7539 65.714 86.442 32.535 1.00 0.00 WT1 H ATOM 22000 OH2 TIP3 7540 70.748 82.666 26.566 1.00 0.00 WT1 O ATOM 22001 H1 TIP3 7540 70.609 81.724 26.666 1.00 0.00 WT1 H ATOM 22002 H2 TIP3 7540 71.595 82.738 26.127 1.00 0.00 WT1 H ATOM 22003 OH2 TIP3 7541 80.141 48.630 44.968 1.00 0.00 WT1 O ATOM 22004 H1 TIP3 7541 79.358 48.980 44.543 1.00 0.00 WT1 H ATOM 22005 H2 TIP3 7541 79.936 47.709 45.129 1.00 0.00 WT1 H ATOM 22006 OH2 TIP3 7542 32.309 77.419 -7.804 1.00 0.00 WT1 O ATOM 22007 H1 TIP3 7542 31.406 77.111 -7.724 1.00 0.00 WT1 H ATOM 22008 H2 TIP3 7542 32.751 76.739 -8.312 1.00 0.00 WT1 H ATOM 22009 OH2 TIP3 7543 51.044 70.894 10.047 1.00 0.00 WT1 O ATOM 22010 H1 TIP3 7543 50.754 70.036 10.357 1.00 0.00 WT1 H ATOM 22011 H2 TIP3 7543 51.968 70.938 10.293 1.00 0.00 WT1 H ATOM 22012 OH2 TIP3 7544 81.582 17.690 56.117 1.00 0.00 WT1 O ATOM 22013 H1 TIP3 7544 81.964 17.238 55.364 1.00 0.00 WT1 H ATOM 22014 H2 TIP3 7544 81.053 18.389 55.733 1.00 0.00 WT1 H ATOM 22015 OH2 TIP3 7545 82.220 71.323 43.449 1.00 0.00 WT1 O ATOM 22016 H1 TIP3 7545 82.412 70.907 42.609 1.00 0.00 WT1 H ATOM 22017 H2 TIP3 7545 82.707 70.806 44.090 1.00 0.00 WT1 H ATOM 22018 OH2 TIP3 7546 74.682 48.816 -1.237 1.00 0.00 WT1 O ATOM 22019 H1 TIP3 7546 73.825 49.115 -1.542 1.00 0.00 WT1 H ATOM 22020 H2 TIP3 7546 75.270 49.549 -1.419 1.00 0.00 WT1 H ATOM 22021 OH2 TIP3 7547 50.859 47.513 39.929 1.00 0.00 WT1 O ATOM 22022 H1 TIP3 7547 51.174 46.754 40.420 1.00 0.00 WT1 H ATOM 22023 H2 TIP3 7547 50.154 47.168 39.381 1.00 0.00 WT1 H ATOM 22024 OH2 TIP3 7548 67.867 63.944 30.157 1.00 0.00 WT1 O ATOM 22025 H1 TIP3 7548 67.142 63.367 30.399 1.00 0.00 WT1 H ATOM 22026 H2 TIP3 7548 67.640 64.261 29.282 1.00 0.00 WT1 H ATOM 22027 OH2 TIP3 7549 67.704 46.757 5.729 1.00 0.00 WT1 O ATOM 22028 H1 TIP3 7549 67.236 45.951 5.950 1.00 0.00 WT1 H ATOM 22029 H2 TIP3 7549 67.099 47.459 5.969 1.00 0.00 WT1 H ATOM 22030 OH2 TIP3 7550 89.245 27.318 53.911 1.00 0.00 WT1 O ATOM 22031 H1 TIP3 7550 89.585 26.424 53.877 1.00 0.00 WT1 H ATOM 22032 H2 TIP3 7550 89.420 27.674 53.040 1.00 0.00 WT1 H ATOM 22033 OH2 TIP3 7551 26.533 90.325 24.469 1.00 0.00 WT1 O ATOM 22034 H1 TIP3 7551 25.705 90.432 24.001 1.00 0.00 WT1 H ATOM 22035 H2 TIP3 7551 26.369 89.612 25.087 1.00 0.00 WT1 H ATOM 22036 OH2 TIP3 7552 21.347 72.509 27.907 1.00 0.00 WT1 O ATOM 22037 H1 TIP3 7552 20.941 71.944 27.250 1.00 0.00 WT1 H ATOM 22038 H2 TIP3 7552 20.967 73.373 27.748 1.00 0.00 WT1 H ATOM 22039 OH2 TIP3 7553 37.745 91.503 62.758 1.00 0.00 WT1 O ATOM 22040 H1 TIP3 7553 36.850 91.534 63.097 1.00 0.00 WT1 H ATOM 22041 H2 TIP3 7553 38.298 91.545 63.538 1.00 0.00 WT1 H ATOM 22042 OH2 TIP3 7554 46.547 53.169 64.727 1.00 0.00 WT1 O ATOM 22043 H1 TIP3 7554 47.409 53.035 65.121 1.00 0.00 WT1 H ATOM 22044 H2 TIP3 7554 46.155 53.875 65.242 1.00 0.00 WT1 H ATOM 22045 OH2 TIP3 7555 77.953 45.496 61.554 1.00 0.00 WT1 O ATOM 22046 H1 TIP3 7555 77.762 46.361 61.192 1.00 0.00 WT1 H ATOM 22047 H2 TIP3 7555 77.187 44.967 61.328 1.00 0.00 WT1 H ATOM 22048 OH2 TIP3 7556 22.136 87.314 50.364 1.00 0.00 WT1 O ATOM 22049 H1 TIP3 7556 21.603 87.666 49.650 1.00 0.00 WT1 H ATOM 22050 H2 TIP3 7556 22.601 86.574 49.973 1.00 0.00 WT1 H ATOM 22051 OH2 TIP3 7557 83.469 29.540 -2.214 1.00 0.00 WT1 O ATOM 22052 H1 TIP3 7557 82.849 30.048 -1.690 1.00 0.00 WT1 H ATOM 22053 H2 TIP3 7557 84.194 30.142 -2.380 1.00 0.00 WT1 H ATOM 22054 OH2 TIP3 7558 64.508 5.855 32.772 1.00 0.00 WT1 O ATOM 22055 H1 TIP3 7558 64.401 5.806 31.822 1.00 0.00 WT1 H ATOM 22056 H2 TIP3 7558 64.664 6.783 32.948 1.00 0.00 WT1 H ATOM 22057 OH2 TIP3 7559 76.219 47.797 3.459 1.00 0.00 WT1 O ATOM 22058 H1 TIP3 7559 75.543 47.650 4.120 1.00 0.00 WT1 H ATOM 22059 H2 TIP3 7559 77.031 47.873 3.959 1.00 0.00 WT1 H ATOM 22060 OH2 TIP3 7560 57.808 88.914 48.635 1.00 0.00 WT1 O ATOM 22061 H1 TIP3 7560 58.328 88.111 48.621 1.00 0.00 WT1 H ATOM 22062 H2 TIP3 7560 58.423 89.603 48.383 1.00 0.00 WT1 H ATOM 22063 OH2 TIP3 7561 58.349 24.422 56.997 1.00 0.00 WT1 O ATOM 22064 H1 TIP3 7561 58.573 24.504 57.924 1.00 0.00 WT1 H ATOM 22065 H2 TIP3 7561 57.964 25.268 56.767 1.00 0.00 WT1 H ATOM 22066 OH2 TIP3 7562 45.095 8.896 47.950 1.00 0.00 WT1 O ATOM 22067 H1 TIP3 7562 44.324 8.386 47.702 1.00 0.00 WT1 H ATOM 22068 H2 TIP3 7562 45.804 8.254 47.991 1.00 0.00 WT1 H ATOM 22069 OH2 TIP3 7563 20.909 82.627 7.819 1.00 0.00 WT1 O ATOM 22070 H1 TIP3 7563 21.777 82.405 7.483 1.00 0.00 WT1 H ATOM 22071 H2 TIP3 7563 20.937 82.377 8.742 1.00 0.00 WT1 H ATOM 22072 OH2 TIP3 7564 77.545 57.849 -9.853 1.00 0.00 WT1 O ATOM 22073 H1 TIP3 7564 77.509 57.006 -10.305 1.00 0.00 WT1 H ATOM 22074 H2 TIP3 7564 76.633 58.140 -9.816 1.00 0.00 WT1 H ATOM 22075 OH2 TIP3 7565 66.216 63.028 55.417 1.00 0.00 WT1 O ATOM 22076 H1 TIP3 7565 66.356 63.955 55.606 1.00 0.00 WT1 H ATOM 22077 H2 TIP3 7565 65.612 62.733 56.099 1.00 0.00 WT1 H ATOM 22078 OH2 TIP3 7566 22.188 50.046 -15.238 1.00 0.00 WT1 O ATOM 22079 H1 TIP3 7566 21.862 49.220 -14.882 1.00 0.00 WT1 H ATOM 22080 H2 TIP3 7566 22.247 49.895 -16.181 1.00 0.00 WT1 H ATOM 22081 OH2 TIP3 7567 57.304 13.928 11.957 1.00 0.00 WT1 O ATOM 22082 H1 TIP3 7567 57.299 13.893 11.001 1.00 0.00 WT1 H ATOM 22083 H2 TIP3 7567 58.231 13.901 12.194 1.00 0.00 WT1 H ATOM 22084 OH2 TIP3 7568 30.254 78.726 -4.611 1.00 0.00 WT1 O ATOM 22085 H1 TIP3 7568 30.191 78.466 -5.530 1.00 0.00 WT1 H ATOM 22086 H2 TIP3 7568 30.392 77.905 -4.138 1.00 0.00 WT1 H ATOM 22087 OH2 TIP3 7569 67.854 60.637 49.436 1.00 0.00 WT1 O ATOM 22088 H1 TIP3 7569 68.091 61.168 50.196 1.00 0.00 WT1 H ATOM 22089 H2 TIP3 7569 67.635 61.275 48.757 1.00 0.00 WT1 H ATOM 22090 OH2 TIP3 7570 32.617 1.666 30.242 1.00 0.00 WT1 O ATOM 22091 H1 TIP3 7570 32.227 2.369 29.723 1.00 0.00 WT1 H ATOM 22092 H2 TIP3 7570 33.561 1.778 30.126 1.00 0.00 WT1 H ATOM 22093 OH2 TIP3 7571 36.496 76.958 34.268 1.00 0.00 WT1 O ATOM 22094 H1 TIP3 7571 37.064 76.348 34.739 1.00 0.00 WT1 H ATOM 22095 H2 TIP3 7571 36.731 76.842 33.347 1.00 0.00 WT1 H ATOM 22096 OH2 TIP3 7572 84.130 82.714 66.491 1.00 0.00 WT1 O ATOM 22097 H1 TIP3 7572 83.959 83.397 67.139 1.00 0.00 WT1 H ATOM 22098 H2 TIP3 7572 83.300 82.613 66.024 1.00 0.00 WT1 H ATOM 22099 OH2 TIP3 7573 30.364 18.833 12.295 1.00 0.00 WT1 O ATOM 22100 H1 TIP3 7573 30.443 18.406 11.442 1.00 0.00 WT1 H ATOM 22101 H2 TIP3 7573 31.111 18.508 12.797 1.00 0.00 WT1 H ATOM 22102 OH2 TIP3 7574 52.576 77.572 -3.711 1.00 0.00 WT1 O ATOM 22103 H1 TIP3 7574 52.324 77.459 -2.794 1.00 0.00 WT1 H ATOM 22104 H2 TIP3 7574 53.517 77.748 -3.681 1.00 0.00 WT1 H ATOM 22105 OH2 TIP3 7575 52.352 76.104 64.906 1.00 0.00 WT1 O ATOM 22106 H1 TIP3 7575 52.764 76.900 64.568 1.00 0.00 WT1 H ATOM 22107 H2 TIP3 7575 52.785 75.947 65.744 1.00 0.00 WT1 H ATOM 22108 OH2 TIP3 7576 59.042 58.084 -6.515 1.00 0.00 WT1 O ATOM 22109 H1 TIP3 7576 59.329 57.816 -5.642 1.00 0.00 WT1 H ATOM 22110 H2 TIP3 7576 59.638 57.633 -7.113 1.00 0.00 WT1 H ATOM 22111 OH2 TIP3 7577 56.458 41.579 53.956 1.00 0.00 WT1 O ATOM 22112 H1 TIP3 7577 56.864 42.431 53.796 1.00 0.00 WT1 H ATOM 22113 H2 TIP3 7577 55.936 41.410 53.171 1.00 0.00 WT1 H ATOM 22114 OH2 TIP3 7578 62.701 19.847 1.893 1.00 0.00 WT1 O ATOM 22115 H1 TIP3 7578 62.101 19.212 1.502 1.00 0.00 WT1 H ATOM 22116 H2 TIP3 7578 62.270 20.693 1.771 1.00 0.00 WT1 H ATOM 22117 OH2 TIP3 7579 20.975 29.305 62.876 1.00 0.00 WT1 O ATOM 22118 H1 TIP3 7579 20.137 29.080 62.473 1.00 0.00 WT1 H ATOM 22119 H2 TIP3 7579 21.245 28.508 63.332 1.00 0.00 WT1 H ATOM 22120 OH2 TIP3 7580 77.393 6.337 -14.802 1.00 0.00 WT1 O ATOM 22121 H1 TIP3 7580 77.079 5.466 -14.557 1.00 0.00 WT1 H ATOM 22122 H2 TIP3 7580 77.829 6.664 -14.015 1.00 0.00 WT1 H ATOM 22123 OH2 TIP3 7581 79.430 89.708 48.394 1.00 0.00 WT1 O ATOM 22124 H1 TIP3 7581 79.990 89.009 48.058 1.00 0.00 WT1 H ATOM 22125 H2 TIP3 7581 79.361 90.330 47.670 1.00 0.00 WT1 H ATOM 22126 OH2 TIP3 7582 21.559 32.937 50.751 1.00 0.00 WT1 O ATOM 22127 H1 TIP3 7582 21.642 32.710 49.825 1.00 0.00 WT1 H ATOM 22128 H2 TIP3 7582 22.254 33.577 50.904 1.00 0.00 WT1 H ATOM 22129 OH2 TIP3 7584 23.040 40.328 26.549 1.00 0.00 WT1 O ATOM 22130 H1 TIP3 7584 23.582 39.685 26.091 1.00 0.00 WT1 H ATOM 22131 H2 TIP3 7584 22.567 40.783 25.852 1.00 0.00 WT1 H ATOM 22132 OH2 TIP3 7585 79.030 35.885 53.424 1.00 0.00 WT1 O ATOM 22133 H1 TIP3 7585 79.941 36.176 53.402 1.00 0.00 WT1 H ATOM 22134 H2 TIP3 7585 79.051 35.002 53.054 1.00 0.00 WT1 H ATOM 22135 OH2 TIP3 7586 32.073 84.633 21.590 1.00 0.00 WT1 O ATOM 22136 H1 TIP3 7586 31.996 83.710 21.832 1.00 0.00 WT1 H ATOM 22137 H2 TIP3 7586 32.953 84.882 21.871 1.00 0.00 WT1 H ATOM 22138 OH2 TIP3 7587 43.766 95.747 61.518 1.00 0.00 WT1 O ATOM 22139 H1 TIP3 7587 43.483 94.852 61.330 1.00 0.00 WT1 H ATOM 22140 H2 TIP3 7587 43.396 96.270 60.808 1.00 0.00 WT1 H ATOM 22141 OH2 TIP3 7588 88.559 65.773 -2.720 1.00 0.00 WT1 O ATOM 22142 H1 TIP3 7588 88.813 65.679 -1.802 1.00 0.00 WT1 H ATOM 22143 H2 TIP3 7588 88.123 64.948 -2.934 1.00 0.00 WT1 H ATOM 22144 OH2 TIP3 7589 67.328 35.780 22.169 1.00 0.00 WT1 O ATOM 22145 H1 TIP3 7589 67.436 35.472 21.270 1.00 0.00 WT1 H ATOM 22146 H2 TIP3 7589 66.428 36.103 22.205 1.00 0.00 WT1 H ATOM 22147 OH2 TIP3 7590 64.502 27.400 20.539 1.00 0.00 WT1 O ATOM 22148 H1 TIP3 7590 63.693 27.900 20.645 1.00 0.00 WT1 H ATOM 22149 H2 TIP3 7590 64.262 26.674 19.963 1.00 0.00 WT1 H ATOM 22150 OH2 TIP3 7591 87.847 88.041 17.308 1.00 0.00 WT1 O ATOM 22151 H1 TIP3 7591 88.502 87.399 17.035 1.00 0.00 WT1 H ATOM 22152 H2 TIP3 7591 88.116 88.855 16.881 1.00 0.00 WT1 H ATOM 22153 OH2 TIP3 7592 71.987 6.560 -13.210 1.00 0.00 WT1 O ATOM 22154 H1 TIP3 7592 72.607 6.892 -12.560 1.00 0.00 WT1 H ATOM 22155 H2 TIP3 7592 72.401 6.746 -14.053 1.00 0.00 WT1 H ATOM 22156 OH2 TIP3 7593 33.995 19.240 11.883 1.00 0.00 WT1 O ATOM 22157 H1 TIP3 7593 34.124 18.971 12.793 1.00 0.00 WT1 H ATOM 22158 H2 TIP3 7593 34.370 18.527 11.367 1.00 0.00 WT1 H ATOM 22159 OH2 TIP3 7594 57.084 2.810 36.133 1.00 0.00 WT1 O ATOM 22160 H1 TIP3 7594 56.351 3.177 35.638 1.00 0.00 WT1 H ATOM 22161 H2 TIP3 7594 56.904 3.053 37.042 1.00 0.00 WT1 H ATOM 22162 OH2 TIP3 7595 39.267 46.675 49.928 1.00 0.00 WT1 O ATOM 22163 H1 TIP3 7595 39.114 47.540 50.307 1.00 0.00 WT1 H ATOM 22164 H2 TIP3 7595 40.047 46.785 49.385 1.00 0.00 WT1 H ATOM 22165 OH2 TIP3 7596 29.507 81.037 44.275 1.00 0.00 WT1 O ATOM 22166 H1 TIP3 7596 29.088 80.338 44.777 1.00 0.00 WT1 H ATOM 22167 H2 TIP3 7596 30.182 81.381 44.860 1.00 0.00 WT1 H ATOM 22168 OH2 TIP3 7597 47.272 94.254 28.781 1.00 0.00 WT1 O ATOM 22169 H1 TIP3 7597 47.374 93.710 29.562 1.00 0.00 WT1 H ATOM 22170 H2 TIP3 7597 47.519 93.680 28.056 1.00 0.00 WT1 H ATOM 22171 OH2 TIP3 7598 56.752 64.913 -15.001 1.00 0.00 WT1 O ATOM 22172 H1 TIP3 7598 55.823 65.064 -14.828 1.00 0.00 WT1 H ATOM 22173 H2 TIP3 7598 57.017 64.272 -14.340 1.00 0.00 WT1 H ATOM 22174 OH2 TIP3 7599 51.839 4.155 45.843 1.00 0.00 WT1 O ATOM 22175 H1 TIP3 7599 51.966 3.213 45.732 1.00 0.00 WT1 H ATOM 22176 H2 TIP3 7599 51.236 4.231 46.582 1.00 0.00 WT1 H ATOM 22177 OH2 TIP3 7600 31.715 43.766 11.038 1.00 0.00 WT1 O ATOM 22178 H1 TIP3 7600 30.886 43.398 11.345 1.00 0.00 WT1 H ATOM 22179 H2 TIP3 7600 31.468 44.579 10.599 1.00 0.00 WT1 H ATOM 22180 OH2 TIP3 7601 84.831 60.709 6.437 1.00 0.00 WT1 O ATOM 22181 H1 TIP3 7601 85.077 60.533 7.345 1.00 0.00 WT1 H ATOM 22182 H2 TIP3 7601 83.997 61.174 6.500 1.00 0.00 WT1 H ATOM 22183 OH2 TIP3 7602 60.308 48.466 66.961 1.00 0.00 WT1 O ATOM 22184 H1 TIP3 7602 61.129 48.146 67.335 1.00 0.00 WT1 H ATOM 22185 H2 TIP3 7602 60.564 48.879 66.136 1.00 0.00 WT1 H ATOM 22186 OH2 TIP3 7603 50.356 23.849 -4.777 1.00 0.00 WT1 O ATOM 22187 H1 TIP3 7603 49.627 23.264 -4.570 1.00 0.00 WT1 H ATOM 22188 H2 TIP3 7603 50.307 24.537 -4.113 1.00 0.00 WT1 H ATOM 22189 OH2 TIP3 7604 69.933 85.359 0.985 1.00 0.00 WT1 O ATOM 22190 H1 TIP3 7604 70.368 84.631 1.429 1.00 0.00 WT1 H ATOM 22191 H2 TIP3 7604 70.603 86.041 0.931 1.00 0.00 WT1 H ATOM 22192 OH2 TIP3 7605 65.722 14.734 46.548 1.00 0.00 WT1 O ATOM 22193 H1 TIP3 7605 65.555 14.255 45.736 1.00 0.00 WT1 H ATOM 22194 H2 TIP3 7605 65.764 15.652 46.281 1.00 0.00 WT1 H ATOM 22195 OH2 TIP3 7606 58.841 33.835 27.448 1.00 0.00 WT1 O ATOM 22196 H1 TIP3 7606 59.545 33.207 27.285 1.00 0.00 WT1 H ATOM 22197 H2 TIP3 7606 58.821 34.381 26.662 1.00 0.00 WT1 H ATOM 22198 OH2 TIP3 7608 71.376 2.895 36.516 1.00 0.00 WT1 O ATOM 22199 H1 TIP3 7608 71.908 2.845 35.721 1.00 0.00 WT1 H ATOM 22200 H2 TIP3 7608 70.663 3.492 36.290 1.00 0.00 WT1 H ATOM 22201 OH2 TIP3 7609 59.187 94.220 64.310 1.00 0.00 WT1 O ATOM 22202 H1 TIP3 7609 58.295 94.396 64.610 1.00 0.00 WT1 H ATOM 22203 H2 TIP3 7609 59.144 94.320 63.359 1.00 0.00 WT1 H ATOM 22204 OH2 TIP3 7610 53.043 21.730 -10.741 1.00 0.00 WT1 O ATOM 22205 H1 TIP3 7610 52.526 21.327 -11.438 1.00 0.00 WT1 H ATOM 22206 H2 TIP3 7610 52.627 21.432 -9.932 1.00 0.00 WT1 H ATOM 22207 OH2 TIP3 7611 53.825 81.792 -4.023 1.00 0.00 WT1 O ATOM 22208 H1 TIP3 7611 53.767 81.845 -4.977 1.00 0.00 WT1 H ATOM 22209 H2 TIP3 7611 54.724 81.510 -3.853 1.00 0.00 WT1 H ATOM 22210 OH2 TIP3 7612 50.753 13.113 0.748 1.00 0.00 WT1 O ATOM 22211 H1 TIP3 7612 49.888 13.199 1.150 1.00 0.00 WT1 H ATOM 22212 H2 TIP3 7612 51.367 13.265 1.467 1.00 0.00 WT1 H ATOM 22213 OH2 TIP3 7613 24.837 33.362 23.406 1.00 0.00 WT1 O ATOM 22214 H1 TIP3 7613 24.985 33.482 22.468 1.00 0.00 WT1 H ATOM 22215 H2 TIP3 7613 24.226 34.060 23.643 1.00 0.00 WT1 H ATOM 22216 OH2 TIP3 7614 41.906 80.322 39.965 1.00 0.00 WT1 O ATOM 22217 H1 TIP3 7614 42.416 80.505 39.176 1.00 0.00 WT1 H ATOM 22218 H2 TIP3 7614 41.382 79.554 39.739 1.00 0.00 WT1 H ATOM 22219 OH2 TIP3 7615 73.170 93.705 0.829 1.00 0.00 WT1 O ATOM 22220 H1 TIP3 7615 72.822 93.909 1.697 1.00 0.00 WT1 H ATOM 22221 H2 TIP3 7615 72.615 92.993 0.510 1.00 0.00 WT1 H ATOM 22222 OH2 TIP3 7616 82.632 45.630 -10.563 1.00 0.00 WT1 O ATOM 22223 H1 TIP3 7616 83.106 45.673 -9.732 1.00 0.00 WT1 H ATOM 22224 H2 TIP3 7616 83.263 45.258 -11.179 1.00 0.00 WT1 H ATOM 22225 OH2 TIP3 7617 81.933 79.738 -0.737 1.00 0.00 WT1 O ATOM 22226 H1 TIP3 7617 81.335 79.052 -1.035 1.00 0.00 WT1 H ATOM 22227 H2 TIP3 7617 81.757 79.818 0.201 1.00 0.00 WT1 H ATOM 22228 OH2 TIP3 7618 62.379 5.324 37.862 1.00 0.00 WT1 O ATOM 22229 H1 TIP3 7618 61.728 5.532 38.533 1.00 0.00 WT1 H ATOM 22230 H2 TIP3 7618 63.206 5.268 38.340 1.00 0.00 WT1 H ATOM 22231 OH2 TIP3 7619 35.795 16.652 38.486 1.00 0.00 WT1 O ATOM 22232 H1 TIP3 7619 35.978 15.757 38.199 1.00 0.00 WT1 H ATOM 22233 H2 TIP3 7619 35.037 16.920 37.968 1.00 0.00 WT1 H ATOM 22234 OH2 TIP3 7620 22.646 72.152 59.062 1.00 0.00 WT1 O ATOM 22235 H1 TIP3 7620 21.964 72.422 59.678 1.00 0.00 WT1 H ATOM 22236 H2 TIP3 7620 23.135 71.473 59.527 1.00 0.00 WT1 H ATOM 22237 OH2 TIP3 7621 29.086 88.601 -19.054 1.00 0.00 WT1 O ATOM 22238 H1 TIP3 7621 28.780 89.353 -19.562 1.00 0.00 WT1 H ATOM 22239 H2 TIP3 7621 28.298 88.080 -18.899 1.00 0.00 WT1 H ATOM 22240 OH2 TIP3 7622 52.539 20.066 26.129 1.00 0.00 WT1 O ATOM 22241 H1 TIP3 7622 51.808 20.656 25.948 1.00 0.00 WT1 H ATOM 22242 H2 TIP3 7622 53.291 20.646 26.251 1.00 0.00 WT1 H ATOM 22243 OH2 TIP3 7623 22.273 9.472 57.075 1.00 0.00 WT1 O ATOM 22244 H1 TIP3 7623 21.766 9.557 56.268 1.00 0.00 WT1 H ATOM 22245 H2 TIP3 7623 21.921 10.149 57.653 1.00 0.00 WT1 H ATOM 22246 OH2 TIP3 7624 62.840 7.740 -15.613 1.00 0.00 WT1 O ATOM 22247 H1 TIP3 7624 63.006 6.860 -15.951 1.00 0.00 WT1 H ATOM 22248 H2 TIP3 7624 63.398 7.808 -14.837 1.00 0.00 WT1 H ATOM 22249 OH2 TIP3 7625 33.030 2.250 -2.006 1.00 0.00 WT1 O ATOM 22250 H1 TIP3 7625 32.703 2.767 -1.269 1.00 0.00 WT1 H ATOM 22251 H2 TIP3 7625 33.079 2.872 -2.731 1.00 0.00 WT1 H ATOM 22252 OH2 TIP3 7626 47.614 48.813 38.073 1.00 0.00 WT1 O ATOM 22253 H1 TIP3 7626 48.136 49.170 37.355 1.00 0.00 WT1 H ATOM 22254 H2 TIP3 7626 48.108 48.049 38.372 1.00 0.00 WT1 H ATOM 22255 OH2 TIP3 7627 33.048 89.223 -10.311 1.00 0.00 WT1 O ATOM 22256 H1 TIP3 7627 32.448 89.966 -10.245 1.00 0.00 WT1 H ATOM 22257 H2 TIP3 7627 33.213 88.966 -9.404 1.00 0.00 WT1 H ATOM 22258 OH2 TIP3 7628 89.857 1.537 -14.728 1.00 0.00 WT1 O ATOM 22259 H1 TIP3 7628 88.926 1.317 -14.738 1.00 0.00 WT1 H ATOM 22260 H2 TIP3 7628 90.274 0.796 -14.288 1.00 0.00 WT1 H ATOM 22261 OH2 TIP3 7630 24.762 0.540 13.184 1.00 0.00 WT1 O ATOM 22262 H1 TIP3 7630 25.173 0.203 13.979 1.00 0.00 WT1 H ATOM 22263 H2 TIP3 7630 25.391 0.349 12.488 1.00 0.00 WT1 H ATOM 22264 OH2 TIP3 7631 71.588 5.833 38.272 1.00 0.00 WT1 O ATOM 22265 H1 TIP3 7631 72.215 5.862 37.550 1.00 0.00 WT1 H ATOM 22266 H2 TIP3 7631 72.009 5.284 38.934 1.00 0.00 WT1 H ATOM 22267 OH2 TIP3 7632 42.502 18.262 58.757 1.00 0.00 WT1 O ATOM 22268 H1 TIP3 7632 42.925 19.013 58.340 1.00 0.00 WT1 H ATOM 22269 H2 TIP3 7632 42.910 17.499 58.348 1.00 0.00 WT1 H ATOM 22270 OH2 TIP3 7633 63.592 45.169 14.110 1.00 0.00 WT1 O ATOM 22271 H1 TIP3 7633 64.030 44.884 14.912 1.00 0.00 WT1 H ATOM 22272 H2 TIP3 7633 62.887 45.742 14.413 1.00 0.00 WT1 H ATOM 22273 OH2 TIP3 7634 89.098 96.507 60.370 1.00 0.00 WT1 O ATOM 22274 H1 TIP3 7634 89.595 95.692 60.295 1.00 0.00 WT1 H ATOM 22275 H2 TIP3 7634 89.734 97.195 60.170 1.00 0.00 WT1 H ATOM 22276 OH2 TIP3 7635 51.423 7.944 0.001 1.00 0.00 WT1 O ATOM 22277 H1 TIP3 7635 50.947 8.693 0.360 1.00 0.00 WT1 H ATOM 22278 H2 TIP3 7635 52.229 7.902 0.516 1.00 0.00 WT1 H ATOM 22279 OH2 TIP3 7636 87.540 66.161 27.976 1.00 0.00 WT1 O ATOM 22280 H1 TIP3 7636 88.161 66.628 27.418 1.00 0.00 WT1 H ATOM 22281 H2 TIP3 7636 88.088 65.654 28.575 1.00 0.00 WT1 H ATOM 22282 OH2 TIP3 7637 22.369 27.679 45.447 1.00 0.00 WT1 O ATOM 22283 H1 TIP3 7637 21.826 28.341 45.019 1.00 0.00 WT1 H ATOM 22284 H2 TIP3 7637 21.870 26.867 45.361 1.00 0.00 WT1 H ATOM 22285 OH2 TIP3 7638 79.807 25.683 29.912 1.00 0.00 WT1 O ATOM 22286 H1 TIP3 7638 79.581 26.044 30.769 1.00 0.00 WT1 H ATOM 22287 H2 TIP3 7638 80.563 25.121 30.080 1.00 0.00 WT1 H ATOM 22288 OH2 TIP3 7639 33.460 25.151 47.475 1.00 0.00 WT1 O ATOM 22289 H1 TIP3 7639 33.217 24.459 46.861 1.00 0.00 WT1 H ATOM 22290 H2 TIP3 7639 34.057 25.713 46.979 1.00 0.00 WT1 H ATOM 22291 OH2 TIP3 7640 63.138 35.557 -13.347 1.00 0.00 WT1 O ATOM 22292 H1 TIP3 7640 63.010 34.839 -12.728 1.00 0.00 WT1 H ATOM 22293 H2 TIP3 7640 63.556 36.247 -12.831 1.00 0.00 WT1 H ATOM 22294 OH2 TIP3 7641 74.430 61.445 -11.861 1.00 0.00 WT1 O ATOM 22295 H1 TIP3 7641 73.741 61.113 -12.438 1.00 0.00 WT1 H ATOM 22296 H2 TIP3 7641 73.963 61.956 -11.200 1.00 0.00 WT1 H ATOM 22297 OH2 TIP3 7642 55.907 83.145 18.357 1.00 0.00 WT1 O ATOM 22298 H1 TIP3 7642 56.018 83.257 19.301 1.00 0.00 WT1 H ATOM 22299 H2 TIP3 7642 55.066 83.559 18.163 1.00 0.00 WT1 H ATOM 22300 OH2 TIP3 7643 70.107 74.258 65.447 1.00 0.00 WT1 O ATOM 22301 H1 TIP3 7643 69.997 74.469 66.375 1.00 0.00 WT1 H ATOM 22302 H2 TIP3 7643 69.444 73.589 65.274 1.00 0.00 WT1 H ATOM 22303 OH2 TIP3 7644 28.397 53.824 27.767 1.00 0.00 WT1 O ATOM 22304 H1 TIP3 7644 28.800 54.457 27.172 1.00 0.00 WT1 H ATOM 22305 H2 TIP3 7644 29.075 53.164 27.910 1.00 0.00 WT1 H ATOM 22306 OH2 TIP3 7645 59.349 14.442 43.139 1.00 0.00 WT1 O ATOM 22307 H1 TIP3 7645 58.645 14.946 42.731 1.00 0.00 WT1 H ATOM 22308 H2 TIP3 7645 59.055 13.533 43.087 1.00 0.00 WT1 H ATOM 22309 OH2 TIP3 7646 46.143 14.397 -2.249 1.00 0.00 WT1 O ATOM 22310 H1 TIP3 7646 46.966 14.012 -1.949 1.00 0.00 WT1 H ATOM 22311 H2 TIP3 7646 45.489 14.079 -1.626 1.00 0.00 WT1 H ATOM 22312 OH2 TIP3 7647 58.517 65.462 60.483 1.00 0.00 WT1 O ATOM 22313 H1 TIP3 7647 58.026 64.682 60.740 1.00 0.00 WT1 H ATOM 22314 H2 TIP3 7647 59.202 65.135 59.901 1.00 0.00 WT1 H ATOM 22315 OH2 TIP3 7648 75.867 15.580 47.752 1.00 0.00 WT1 O ATOM 22316 H1 TIP3 7648 75.643 14.943 47.074 1.00 0.00 WT1 H ATOM 22317 H2 TIP3 7648 76.754 15.864 47.532 1.00 0.00 WT1 H ATOM 22318 OH2 TIP3 7649 68.110 25.689 65.111 1.00 0.00 WT1 O ATOM 22319 H1 TIP3 7649 68.149 25.557 66.059 1.00 0.00 WT1 H ATOM 22320 H2 TIP3 7649 68.039 26.638 65.004 1.00 0.00 WT1 H ATOM 22321 OH2 TIP3 7650 73.293 85.851 13.191 1.00 0.00 WT1 O ATOM 22322 H1 TIP3 7650 73.238 86.253 14.058 1.00 0.00 WT1 H ATOM 22323 H2 TIP3 7650 72.635 85.155 13.206 1.00 0.00 WT1 H ATOM 22324 OH2 TIP3 7651 77.916 60.578 1.439 1.00 0.00 WT1 O ATOM 22325 H1 TIP3 7651 77.423 60.571 0.618 1.00 0.00 WT1 H ATOM 22326 H2 TIP3 7651 77.367 60.090 2.052 1.00 0.00 WT1 H ATOM 22327 OH2 TIP3 7652 26.072 76.716 -5.914 1.00 0.00 WT1 O ATOM 22328 H1 TIP3 7652 25.171 76.399 -5.862 1.00 0.00 WT1 H ATOM 22329 H2 TIP3 7652 26.529 76.056 -6.435 1.00 0.00 WT1 H ATOM 22330 OH2 TIP3 7653 73.436 24.907 22.265 1.00 0.00 WT1 O ATOM 22331 H1 TIP3 7653 74.389 24.984 22.224 1.00 0.00 WT1 H ATOM 22332 H2 TIP3 7653 73.211 24.318 21.544 1.00 0.00 WT1 H ATOM 22333 OH2 TIP3 7654 62.564 48.792 9.794 1.00 0.00 WT1 O ATOM 22334 H1 TIP3 7654 61.624 48.676 9.934 1.00 0.00 WT1 H ATOM 22335 H2 TIP3 7654 62.800 49.530 10.355 1.00 0.00 WT1 H ATOM 22336 OH2 TIP3 7655 74.223 40.541 37.796 1.00 0.00 WT1 O ATOM 22337 H1 TIP3 7655 73.653 41.243 37.480 1.00 0.00 WT1 H ATOM 22338 H2 TIP3 7655 74.566 40.134 37.001 1.00 0.00 WT1 H ATOM 22339 OH2 TIP3 7656 86.385 32.553 13.258 1.00 0.00 WT1 O ATOM 22340 H1 TIP3 7656 86.643 32.713 14.166 1.00 0.00 WT1 H ATOM 22341 H2 TIP3 7656 86.096 31.640 13.248 1.00 0.00 WT1 H ATOM 22342 OH2 TIP3 7657 71.507 84.872 16.744 1.00 0.00 WT1 O ATOM 22343 H1 TIP3 7657 70.986 84.708 17.530 1.00 0.00 WT1 H ATOM 22344 H2 TIP3 7657 70.862 84.948 16.040 1.00 0.00 WT1 H ATOM 22345 OH2 TIP3 7658 89.595 55.044 41.826 1.00 0.00 WT1 O ATOM 22346 H1 TIP3 7658 90.352 55.572 42.079 1.00 0.00 WT1 H ATOM 22347 H2 TIP3 7658 89.491 54.416 42.542 1.00 0.00 WT1 H ATOM 22348 OH2 TIP3 7659 34.809 7.994 22.388 1.00 0.00 WT1 O ATOM 22349 H1 TIP3 7659 35.038 7.820 23.301 1.00 0.00 WT1 H ATOM 22350 H2 TIP3 7659 35.463 8.628 22.093 1.00 0.00 WT1 H ATOM 22351 OH2 TIP3 7660 88.042 56.476 -17.469 1.00 0.00 WT1 O ATOM 22352 H1 TIP3 7660 87.719 56.948 -16.702 1.00 0.00 WT1 H ATOM 22353 H2 TIP3 7660 87.250 56.205 -17.935 1.00 0.00 WT1 H ATOM 22354 OH2 TIP3 7661 88.769 79.013 -4.733 1.00 0.00 WT1 O ATOM 22355 H1 TIP3 7661 89.070 79.273 -3.862 1.00 0.00 WT1 H ATOM 22356 H2 TIP3 7661 89.204 79.624 -5.329 1.00 0.00 WT1 H ATOM 22357 OH2 TIP3 7662 28.731 1.556 11.939 1.00 0.00 WT1 O ATOM 22358 H1 TIP3 7662 28.537 2.089 12.710 1.00 0.00 WT1 H ATOM 22359 H2 TIP3 7662 27.892 1.163 11.701 1.00 0.00 WT1 H ATOM 22360 OH2 TIP3 7663 90.133 70.657 7.474 1.00 0.00 WT1 O ATOM 22361 H1 TIP3 7663 89.831 70.335 8.323 1.00 0.00 WT1 H ATOM 22362 H2 TIP3 7663 89.955 71.597 7.496 1.00 0.00 WT1 H ATOM 22363 OH2 TIP3 7664 45.758 13.282 34.025 1.00 0.00 WT1 O ATOM 22364 H1 TIP3 7664 45.560 13.434 33.101 1.00 0.00 WT1 H ATOM 22365 H2 TIP3 7664 45.338 12.445 34.225 1.00 0.00 WT1 H ATOM 22366 OH2 TIP3 7665 73.901 8.143 -2.846 1.00 0.00 WT1 O ATOM 22367 H1 TIP3 7665 74.548 8.568 -2.282 1.00 0.00 WT1 H ATOM 22368 H2 TIP3 7665 74.413 7.785 -3.571 1.00 0.00 WT1 H ATOM 22369 OH2 TIP3 7666 58.751 77.574 26.126 1.00 0.00 WT1 O ATOM 22370 H1 TIP3 7666 58.666 76.633 25.971 1.00 0.00 WT1 H ATOM 22371 H2 TIP3 7666 58.039 77.965 25.620 1.00 0.00 WT1 H ATOM 22372 OH2 TIP3 7667 42.850 3.662 56.099 1.00 0.00 WT1 O ATOM 22373 H1 TIP3 7667 42.607 4.371 56.694 1.00 0.00 WT1 H ATOM 22374 H2 TIP3 7667 43.793 3.554 56.227 1.00 0.00 WT1 H ATOM 22375 OH2 TIP3 7668 20.689 38.365 12.241 1.00 0.00 WT1 O ATOM 22376 H1 TIP3 7668 20.387 37.679 11.646 1.00 0.00 WT1 H ATOM 22377 H2 TIP3 7668 20.431 38.060 13.110 1.00 0.00 WT1 H ATOM 22378 OH2 TIP3 7669 34.356 14.683 -1.481 1.00 0.00 WT1 O ATOM 22379 H1 TIP3 7669 35.280 14.548 -1.272 1.00 0.00 WT1 H ATOM 22380 H2 TIP3 7669 34.349 15.447 -2.058 1.00 0.00 WT1 H ATOM 22381 OH2 TIP3 7670 79.014 1.475 38.156 1.00 0.00 WT1 O ATOM 22382 H1 TIP3 7670 78.661 1.237 39.013 1.00 0.00 WT1 H ATOM 22383 H2 TIP3 7670 78.367 1.146 37.531 1.00 0.00 WT1 H ATOM 22384 OH2 TIP3 7671 21.713 14.039 59.882 1.00 0.00 WT1 O ATOM 22385 H1 TIP3 7671 22.504 14.458 59.544 1.00 0.00 WT1 H ATOM 22386 H2 TIP3 7671 21.547 14.478 60.716 1.00 0.00 WT1 H ATOM 22387 OH2 TIP3 7672 35.021 22.921 -7.194 1.00 0.00 WT1 O ATOM 22388 H1 TIP3 7672 34.809 22.806 -8.120 1.00 0.00 WT1 H ATOM 22389 H2 TIP3 7672 35.949 22.696 -7.130 1.00 0.00 WT1 H ATOM 22390 OH2 TIP3 7673 36.054 62.323 -17.922 1.00 0.00 WT1 O ATOM 22391 H1 TIP3 7673 36.482 63.076 -17.514 1.00 0.00 WT1 H ATOM 22392 H2 TIP3 7673 35.672 62.672 -18.728 1.00 0.00 WT1 H ATOM 22393 OH2 TIP3 7674 77.165 55.044 29.660 1.00 0.00 WT1 O ATOM 22394 H1 TIP3 7674 76.440 55.607 29.931 1.00 0.00 WT1 H ATOM 22395 H2 TIP3 7674 77.413 55.371 28.795 1.00 0.00 WT1 H ATOM 22396 OH2 TIP3 7675 63.437 22.507 -10.340 1.00 0.00 WT1 O ATOM 22397 H1 TIP3 7675 62.644 22.919 -10.683 1.00 0.00 WT1 H ATOM 22398 H2 TIP3 7675 63.142 21.659 -10.008 1.00 0.00 WT1 H ATOM 22399 OH2 TIP3 7676 27.540 60.075 33.801 1.00 0.00 WT1 O ATOM 22400 H1 TIP3 7676 27.110 60.678 33.196 1.00 0.00 WT1 H ATOM 22401 H2 TIP3 7676 28.093 59.528 33.243 1.00 0.00 WT1 H ATOM 22402 OH2 TIP3 7677 88.071 22.295 4.984 1.00 0.00 WT1 O ATOM 22403 H1 TIP3 7677 88.619 21.553 4.727 1.00 0.00 WT1 H ATOM 22404 H2 TIP3 7677 88.275 22.977 4.345 1.00 0.00 WT1 H ATOM 22405 OH2 TIP3 7678 76.668 24.749 11.728 1.00 0.00 WT1 O ATOM 22406 H1 TIP3 7678 77.230 24.051 12.063 1.00 0.00 WT1 H ATOM 22407 H2 TIP3 7678 76.592 25.366 12.457 1.00 0.00 WT1 H ATOM 22408 OH2 TIP3 7679 34.458 64.727 34.865 1.00 0.00 WT1 O ATOM 22409 H1 TIP3 7679 34.579 63.800 34.658 1.00 0.00 WT1 H ATOM 22410 H2 TIP3 7679 35.306 65.128 34.677 1.00 0.00 WT1 H ATOM 22411 OH2 TIP3 7680 70.629 26.604 50.901 1.00 0.00 WT1 O ATOM 22412 H1 TIP3 7680 70.245 25.751 50.698 1.00 0.00 WT1 H ATOM 22413 H2 TIP3 7680 70.335 26.794 51.792 1.00 0.00 WT1 H ATOM 22414 OH2 TIP3 7681 23.608 84.302 -0.580 1.00 0.00 WT1 O ATOM 22415 H1 TIP3 7681 24.147 85.002 -0.211 1.00 0.00 WT1 H ATOM 22416 H2 TIP3 7681 24.037 83.494 -0.296 1.00 0.00 WT1 H ATOM 22417 OH2 TIP3 7682 21.232 7.325 11.217 1.00 0.00 WT1 O ATOM 22418 H1 TIP3 7682 22.076 6.883 11.129 1.00 0.00 WT1 H ATOM 22419 H2 TIP3 7682 20.593 6.615 11.274 1.00 0.00 WT1 H ATOM 22420 OH2 TIP3 7683 84.739 20.169 -12.925 1.00 0.00 WT1 O ATOM 22421 H1 TIP3 7683 85.421 19.953 -12.289 1.00 0.00 WT1 H ATOM 22422 H2 TIP3 7683 83.919 19.953 -12.481 1.00 0.00 WT1 H ATOM 22423 OH2 TIP3 7684 86.833 7.948 -19.818 1.00 0.00 WT1 O ATOM 22424 H1 TIP3 7684 86.453 8.557 -19.184 1.00 0.00 WT1 H ATOM 22425 H2 TIP3 7684 87.523 8.451 -20.250 1.00 0.00 WT1 H ATOM 22426 OH2 TIP3 7685 67.679 92.329 39.037 1.00 0.00 WT1 O ATOM 22427 H1 TIP3 7685 67.287 91.711 38.420 1.00 0.00 WT1 H ATOM 22428 H2 TIP3 7685 67.605 91.898 39.888 1.00 0.00 WT1 H ATOM 22429 OH2 TIP3 7686 71.413 69.218 10.823 1.00 0.00 WT1 O ATOM 22430 H1 TIP3 7686 70.692 68.692 10.474 1.00 0.00 WT1 H ATOM 22431 H2 TIP3 7686 71.246 70.101 10.494 1.00 0.00 WT1 H ATOM 22432 OH2 TIP3 7687 46.079 28.420 4.045 1.00 0.00 WT1 O ATOM 22433 H1 TIP3 7687 45.278 28.891 3.814 1.00 0.00 WT1 H ATOM 22434 H2 TIP3 7687 46.541 29.011 4.640 1.00 0.00 WT1 H ATOM 22435 OH2 TIP3 7688 44.125 49.835 -5.921 1.00 0.00 WT1 O ATOM 22436 H1 TIP3 7688 44.372 50.167 -6.784 1.00 0.00 WT1 H ATOM 22437 H2 TIP3 7688 43.806 50.605 -5.450 1.00 0.00 WT1 H ATOM 22438 OH2 TIP3 7689 35.594 62.955 54.568 1.00 0.00 WT1 O ATOM 22439 H1 TIP3 7689 35.858 63.654 53.969 1.00 0.00 WT1 H ATOM 22440 H2 TIP3 7689 34.672 63.132 54.752 1.00 0.00 WT1 H ATOM 22441 OH2 TIP3 7690 25.184 29.366 63.831 1.00 0.00 WT1 O ATOM 22442 H1 TIP3 7690 25.344 29.883 64.620 1.00 0.00 WT1 H ATOM 22443 H2 TIP3 7690 24.688 29.951 63.257 1.00 0.00 WT1 H ATOM 22444 OH2 TIP3 7691 64.167 15.562 21.042 1.00 0.00 WT1 O ATOM 22445 H1 TIP3 7691 64.426 16.024 21.839 1.00 0.00 WT1 H ATOM 22446 H2 TIP3 7691 64.269 16.210 20.345 1.00 0.00 WT1 H ATOM 22447 OH2 TIP3 7692 74.649 84.721 54.866 1.00 0.00 WT1 O ATOM 22448 H1 TIP3 7692 74.619 85.231 54.057 1.00 0.00 WT1 H ATOM 22449 H2 TIP3 7692 74.741 83.814 54.576 1.00 0.00 WT1 H ATOM 22450 OH2 TIP3 7693 65.098 45.090 25.556 1.00 0.00 WT1 O ATOM 22451 H1 TIP3 7693 64.922 45.838 24.986 1.00 0.00 WT1 H ATOM 22452 H2 TIP3 7693 64.844 45.388 26.429 1.00 0.00 WT1 H ATOM 22453 OH2 TIP3 7694 76.394 13.385 9.579 1.00 0.00 WT1 O ATOM 22454 H1 TIP3 7694 76.883 14.038 10.080 1.00 0.00 WT1 H ATOM 22455 H2 TIP3 7694 76.402 13.716 8.681 1.00 0.00 WT1 H ATOM 22456 OH2 TIP3 7695 37.540 96.072 66.714 1.00 0.00 WT1 O ATOM 22457 H1 TIP3 7695 37.347 95.288 67.228 1.00 0.00 WT1 H ATOM 22458 H2 TIP3 7695 37.430 96.797 67.329 1.00 0.00 WT1 H ATOM 22459 OH2 TIP3 7696 36.483 20.852 38.267 1.00 0.00 WT1 O ATOM 22460 H1 TIP3 7696 37.125 21.558 38.198 1.00 0.00 WT1 H ATOM 22461 H2 TIP3 7696 36.505 20.424 37.410 1.00 0.00 WT1 H ATOM 22462 OH2 TIP3 7697 72.343 62.461 9.265 1.00 0.00 WT1 O ATOM 22463 H1 TIP3 7697 71.908 63.302 9.406 1.00 0.00 WT1 H ATOM 22464 H2 TIP3 7697 71.676 61.808 9.478 1.00 0.00 WT1 H ATOM 22465 OH2 TIP3 7698 43.164 62.573 5.575 1.00 0.00 WT1 O ATOM 22466 H1 TIP3 7698 43.310 62.172 6.432 1.00 0.00 WT1 H ATOM 22467 H2 TIP3 7698 43.010 63.498 5.765 1.00 0.00 WT1 H ATOM 22468 OH2 TIP3 7699 24.842 44.153 8.204 1.00 0.00 WT1 O ATOM 22469 H1 TIP3 7699 24.339 44.737 7.635 1.00 0.00 WT1 H ATOM 22470 H2 TIP3 7699 25.720 44.533 8.222 1.00 0.00 WT1 H ATOM 22471 OH2 TIP3 7700 71.203 96.018 41.442 1.00 0.00 WT1 O ATOM 22472 H1 TIP3 7700 70.760 96.623 40.846 1.00 0.00 WT1 H ATOM 22473 H2 TIP3 7700 70.507 95.443 41.762 1.00 0.00 WT1 H ATOM 22474 OH2 TIP3 7701 78.402 36.693 26.950 1.00 0.00 WT1 O ATOM 22475 H1 TIP3 7701 78.571 37.301 27.670 1.00 0.00 WT1 H ATOM 22476 H2 TIP3 7701 78.223 37.256 26.197 1.00 0.00 WT1 H ATOM 22477 OH2 TIP3 7703 37.899 57.108 40.077 1.00 0.00 WT1 O ATOM 22478 H1 TIP3 7703 38.008 56.875 40.999 1.00 0.00 WT1 H ATOM 22479 H2 TIP3 7703 38.453 57.879 39.957 1.00 0.00 WT1 H ATOM 22480 OH2 TIP3 7704 34.068 81.823 36.412 1.00 0.00 WT1 O ATOM 22481 H1 TIP3 7704 33.553 81.598 37.186 1.00 0.00 WT1 H ATOM 22482 H2 TIP3 7704 34.128 82.778 36.433 1.00 0.00 WT1 H ATOM 22483 OH2 TIP3 7705 69.962 13.952 -15.502 1.00 0.00 WT1 O ATOM 22484 H1 TIP3 7705 70.729 14.082 -16.060 1.00 0.00 WT1 H ATOM 22485 H2 TIP3 7705 70.255 14.211 -14.628 1.00 0.00 WT1 H ATOM 22486 OH2 TIP3 7706 57.455 21.083 34.097 1.00 0.00 WT1 O ATOM 22487 H1 TIP3 7706 57.293 21.344 33.191 1.00 0.00 WT1 H ATOM 22488 H2 TIP3 7706 56.909 20.307 34.224 1.00 0.00 WT1 H ATOM 22489 OH2 TIP3 7707 80.751 14.806 -12.650 1.00 0.00 WT1 O ATOM 22490 H1 TIP3 7707 80.142 15.221 -13.260 1.00 0.00 WT1 H ATOM 22491 H2 TIP3 7707 80.410 13.919 -12.537 1.00 0.00 WT1 H ATOM 22492 OH2 TIP3 7708 53.311 87.225 3.997 1.00 0.00 WT1 O ATOM 22493 H1 TIP3 7708 52.524 86.770 4.297 1.00 0.00 WT1 H ATOM 22494 H2 TIP3 7708 53.448 87.919 4.642 1.00 0.00 WT1 H ATOM 22495 OH2 TIP3 7709 46.385 14.249 14.933 1.00 0.00 WT1 O ATOM 22496 H1 TIP3 7709 45.916 15.077 14.829 1.00 0.00 WT1 H ATOM 22497 H2 TIP3 7709 47.208 14.491 15.356 1.00 0.00 WT1 H ATOM 22498 OH2 TIP3 7710 35.062 93.680 26.327 1.00 0.00 WT1 O ATOM 22499 H1 TIP3 7710 34.787 94.391 26.906 1.00 0.00 WT1 H ATOM 22500 H2 TIP3 7710 35.388 93.001 26.918 1.00 0.00 WT1 H ATOM 22501 OH2 TIP3 7711 28.142 74.385 44.366 1.00 0.00 WT1 O ATOM 22502 H1 TIP3 7711 28.683 73.621 44.563 1.00 0.00 WT1 H ATOM 22503 H2 TIP3 7711 28.327 74.580 43.447 1.00 0.00 WT1 H ATOM 22504 OH2 TIP3 7712 71.394 21.896 61.739 1.00 0.00 WT1 O ATOM 22505 H1 TIP3 7712 70.603 22.150 62.214 1.00 0.00 WT1 H ATOM 22506 H2 TIP3 7712 71.767 21.184 62.258 1.00 0.00 WT1 H ATOM 22507 OH2 TIP3 7713 81.063 64.936 44.363 1.00 0.00 WT1 O ATOM 22508 H1 TIP3 7713 81.045 64.031 44.052 1.00 0.00 WT1 H ATOM 22509 H2 TIP3 7713 81.345 64.871 45.276 1.00 0.00 WT1 H ATOM 22510 OH2 TIP3 7714 49.298 6.404 8.757 1.00 0.00 WT1 O ATOM 22511 H1 TIP3 7714 48.609 6.795 9.294 1.00 0.00 WT1 H ATOM 22512 H2 TIP3 7714 49.252 6.877 7.926 1.00 0.00 WT1 H ATOM 22513 OH2 TIP3 7715 73.048 9.059 0.470 1.00 0.00 WT1 O ATOM 22514 H1 TIP3 7715 72.746 8.212 0.143 1.00 0.00 WT1 H ATOM 22515 H2 TIP3 7715 72.259 9.478 0.814 1.00 0.00 WT1 H ATOM 22516 OH2 TIP3 7716 73.261 90.618 36.801 1.00 0.00 WT1 O ATOM 22517 H1 TIP3 7716 72.381 90.392 36.500 1.00 0.00 WT1 H ATOM 22518 H2 TIP3 7716 73.119 91.234 37.519 1.00 0.00 WT1 H ATOM 22519 OH2 TIP3 7717 76.174 41.306 29.276 1.00 0.00 WT1 O ATOM 22520 H1 TIP3 7717 76.624 41.932 28.708 1.00 0.00 WT1 H ATOM 22521 H2 TIP3 7717 75.454 40.972 28.741 1.00 0.00 WT1 H ATOM 22522 OH2 TIP3 7718 29.031 17.915 -16.697 1.00 0.00 WT1 O ATOM 22523 H1 TIP3 7718 28.254 18.109 -17.222 1.00 0.00 WT1 H ATOM 22524 H2 TIP3 7718 28.699 17.406 -15.957 1.00 0.00 WT1 H ATOM 22525 OH2 TIP3 7719 84.120 83.951 6.058 1.00 0.00 WT1 O ATOM 22526 H1 TIP3 7719 83.746 83.302 5.462 1.00 0.00 WT1 H ATOM 22527 H2 TIP3 7719 83.668 83.802 6.889 1.00 0.00 WT1 H ATOM 22528 OH2 TIP3 7720 85.834 36.256 45.002 1.00 0.00 WT1 O ATOM 22529 H1 TIP3 7720 86.297 36.558 44.221 1.00 0.00 WT1 H ATOM 22530 H2 TIP3 7720 86.241 36.736 45.724 1.00 0.00 WT1 H ATOM 22531 OH2 TIP3 7721 66.635 44.589 13.147 1.00 0.00 WT1 O ATOM 22532 H1 TIP3 7721 66.131 43.849 12.808 1.00 0.00 WT1 H ATOM 22533 H2 TIP3 7721 66.396 44.638 14.072 1.00 0.00 WT1 H ATOM 22534 OH2 TIP3 7722 42.000 8.915 66.930 1.00 0.00 WT1 O ATOM 22535 H1 TIP3 7722 42.551 9.230 67.646 1.00 0.00 WT1 H ATOM 22536 H2 TIP3 7722 41.652 9.710 66.527 1.00 0.00 WT1 H ATOM 22537 OH2 TIP3 7723 37.553 11.232 -18.587 1.00 0.00 WT1 O ATOM 22538 H1 TIP3 7723 38.272 11.549 -19.134 1.00 0.00 WT1 H ATOM 22539 H2 TIP3 7723 37.257 10.432 -19.021 1.00 0.00 WT1 H ATOM 22540 OH2 TIP3 7724 22.667 66.677 13.014 1.00 0.00 WT1 O ATOM 22541 H1 TIP3 7724 22.664 66.710 12.057 1.00 0.00 WT1 H ATOM 22542 H2 TIP3 7724 21.892 66.162 13.239 1.00 0.00 WT1 H ATOM 22543 OH2 TIP3 7725 78.113 51.125 9.776 1.00 0.00 WT1 O ATOM 22544 H1 TIP3 7725 77.502 50.454 10.081 1.00 0.00 WT1 H ATOM 22545 H2 TIP3 7725 77.658 51.952 9.934 1.00 0.00 WT1 H ATOM 22546 OH2 TIP3 7726 75.021 69.522 52.614 1.00 0.00 WT1 O ATOM 22547 H1 TIP3 7726 74.246 69.483 52.053 1.00 0.00 WT1 H ATOM 22548 H2 TIP3 7726 75.661 68.959 52.178 1.00 0.00 WT1 H ATOM 22549 OH2 TIP3 7727 67.930 55.311 32.377 1.00 0.00 WT1 O ATOM 22550 H1 TIP3 7727 67.063 55.244 32.777 1.00 0.00 WT1 H ATOM 22551 H2 TIP3 7727 68.060 54.467 31.944 1.00 0.00 WT1 H ATOM 22552 OH2 TIP3 7728 74.123 53.248 28.990 1.00 0.00 WT1 O ATOM 22553 H1 TIP3 7728 73.796 54.015 28.520 1.00 0.00 WT1 H ATOM 22554 H2 TIP3 7728 73.527 52.542 28.742 1.00 0.00 WT1 H ATOM 22555 OH2 TIP3 7729 54.127 9.593 65.462 1.00 0.00 WT1 O ATOM 22556 H1 TIP3 7729 54.726 9.574 64.716 1.00 0.00 WT1 H ATOM 22557 H2 TIP3 7729 54.264 8.754 65.902 1.00 0.00 WT1 H ATOM 22558 OH2 TIP3 7730 59.048 35.791 54.918 1.00 0.00 WT1 O ATOM 22559 H1 TIP3 7730 59.618 36.504 54.631 1.00 0.00 WT1 H ATOM 22560 H2 TIP3 7730 58.337 36.227 55.388 1.00 0.00 WT1 H ATOM 22561 OH2 TIP3 7731 26.054 69.798 33.267 1.00 0.00 WT1 O ATOM 22562 H1 TIP3 7731 25.232 69.581 33.707 1.00 0.00 WT1 H ATOM 22563 H2 TIP3 7731 26.526 70.344 33.896 1.00 0.00 WT1 H ATOM 22564 OH2 TIP3 7732 71.799 24.253 60.479 1.00 0.00 WT1 O ATOM 22565 H1 TIP3 7732 71.487 23.462 60.920 1.00 0.00 WT1 H ATOM 22566 H2 TIP3 7732 71.855 24.006 59.556 1.00 0.00 WT1 H ATOM 22567 OH2 TIP3 7733 64.893 85.386 0.007 1.00 0.00 WT1 O ATOM 22568 H1 TIP3 7733 65.572 85.249 0.668 1.00 0.00 WT1 H ATOM 22569 H2 TIP3 7733 65.372 85.451 -0.819 1.00 0.00 WT1 H ATOM 22570 OH2 TIP3 7734 90.042 31.859 17.872 1.00 0.00 WT1 O ATOM 22571 H1 TIP3 7734 90.305 31.110 18.407 1.00 0.00 WT1 H ATOM 22572 H2 TIP3 7734 89.382 31.508 17.274 1.00 0.00 WT1 H ATOM 22573 OH2 TIP3 7735 65.444 93.462 52.397 1.00 0.00 WT1 O ATOM 22574 H1 TIP3 7735 66.071 92.740 52.437 1.00 0.00 WT1 H ATOM 22575 H2 TIP3 7735 64.601 93.040 52.235 1.00 0.00 WT1 H ATOM 22576 OH2 TIP3 7736 35.426 45.231 -9.020 1.00 0.00 WT1 O ATOM 22577 H1 TIP3 7736 34.569 45.600 -8.805 1.00 0.00 WT1 H ATOM 22578 H2 TIP3 7736 35.837 45.067 -8.172 1.00 0.00 WT1 H ATOM 22579 OH2 TIP3 7737 70.364 33.903 -14.164 1.00 0.00 WT1 O ATOM 22580 H1 TIP3 7737 70.847 34.683 -13.890 1.00 0.00 WT1 H ATOM 22581 H2 TIP3 7737 69.800 33.696 -13.420 1.00 0.00 WT1 H ATOM 22582 OH2 TIP3 7738 59.799 90.573 47.749 1.00 0.00 WT1 O ATOM 22583 H1 TIP3 7738 59.204 90.501 47.002 1.00 0.00 WT1 H ATOM 22584 H2 TIP3 7738 60.406 89.840 47.644 1.00 0.00 WT1 H ATOM 22585 OH2 TIP3 7739 36.585 16.807 0.665 1.00 0.00 WT1 O ATOM 22586 H1 TIP3 7739 36.228 16.699 1.547 1.00 0.00 WT1 H ATOM 22587 H2 TIP3 7739 35.824 17.009 0.121 1.00 0.00 WT1 H ATOM 22588 OH2 TIP3 7740 48.569 48.970 9.168 1.00 0.00 WT1 O ATOM 22589 H1 TIP3 7740 48.947 48.162 8.820 1.00 0.00 WT1 H ATOM 22590 H2 TIP3 7740 49.149 49.216 9.889 1.00 0.00 WT1 H ATOM 22591 OH2 TIP3 7741 86.873 30.338 5.233 1.00 0.00 WT1 O ATOM 22592 H1 TIP3 7741 87.318 29.530 5.488 1.00 0.00 WT1 H ATOM 22593 H2 TIP3 7741 86.426 30.628 6.028 1.00 0.00 WT1 H ATOM 22594 OH2 TIP3 7742 85.390 93.940 41.622 1.00 0.00 WT1 O ATOM 22595 H1 TIP3 7742 85.152 93.028 41.792 1.00 0.00 WT1 H ATOM 22596 H2 TIP3 7742 85.816 93.922 40.765 1.00 0.00 WT1 H ATOM 22597 OH2 TIP3 7743 72.605 3.222 -6.157 1.00 0.00 WT1 O ATOM 22598 H1 TIP3 7743 71.954 3.818 -6.527 1.00 0.00 WT1 H ATOM 22599 H2 TIP3 7743 73.204 3.792 -5.674 1.00 0.00 WT1 H ATOM 22600 OH2 TIP3 7744 61.212 26.366 19.909 1.00 0.00 WT1 O ATOM 22601 H1 TIP3 7744 61.354 26.644 19.005 1.00 0.00 WT1 H ATOM 22602 H2 TIP3 7744 60.582 26.996 20.259 1.00 0.00 WT1 H ATOM 22603 OH2 TIP3 7745 67.223 26.345 53.451 1.00 0.00 WT1 O ATOM 22604 H1 TIP3 7745 67.407 26.828 52.645 1.00 0.00 WT1 H ATOM 22605 H2 TIP3 7745 66.301 26.527 53.634 1.00 0.00 WT1 H ATOM 22606 OH2 TIP3 7746 70.229 24.656 2.630 1.00 0.00 WT1 O ATOM 22607 H1 TIP3 7746 70.026 24.977 1.752 1.00 0.00 WT1 H ATOM 22608 H2 TIP3 7746 71.125 24.951 2.792 1.00 0.00 WT1 H ATOM 22609 OH2 TIP3 7747 84.064 53.150 13.253 1.00 0.00 WT1 O ATOM 22610 H1 TIP3 7747 83.471 53.826 12.924 1.00 0.00 WT1 H ATOM 22611 H2 TIP3 7747 84.811 53.174 12.655 1.00 0.00 WT1 H ATOM 22612 OH2 TIP3 7748 43.711 22.630 45.431 1.00 0.00 WT1 O ATOM 22613 H1 TIP3 7748 44.120 23.455 45.692 1.00 0.00 WT1 H ATOM 22614 H2 TIP3 7748 42.825 22.678 45.790 1.00 0.00 WT1 H ATOM 22615 OH2 TIP3 7750 61.456 17.421 48.270 1.00 0.00 WT1 O ATOM 22616 H1 TIP3 7750 60.831 18.143 48.202 1.00 0.00 WT1 H ATOM 22617 H2 TIP3 7750 61.817 17.332 47.388 1.00 0.00 WT1 H ATOM 22618 OH2 TIP3 7751 36.116 42.341 2.856 1.00 0.00 WT1 O ATOM 22619 H1 TIP3 7751 36.875 42.890 3.051 1.00 0.00 WT1 H ATOM 22620 H2 TIP3 7751 36.368 41.853 2.072 1.00 0.00 WT1 H ATOM 22621 OH2 TIP3 7752 24.862 47.105 8.787 1.00 0.00 WT1 O ATOM 22622 H1 TIP3 7752 24.430 46.942 9.625 1.00 0.00 WT1 H ATOM 22623 H2 TIP3 7752 25.772 46.843 8.931 1.00 0.00 WT1 H ATOM 22624 OH2 TIP3 7753 84.658 53.122 44.788 1.00 0.00 WT1 O ATOM 22625 H1 TIP3 7753 85.237 53.877 44.885 1.00 0.00 WT1 H ATOM 22626 H2 TIP3 7753 84.697 52.678 45.635 1.00 0.00 WT1 H ATOM 22627 OH2 TIP3 7754 89.450 41.281 24.868 1.00 0.00 WT1 O ATOM 22628 H1 TIP3 7754 89.505 42.198 24.600 1.00 0.00 WT1 H ATOM 22629 H2 TIP3 7754 88.660 40.953 24.438 1.00 0.00 WT1 H ATOM 22630 OH2 TIP3 7755 53.497 83.796 54.119 1.00 0.00 WT1 O ATOM 22631 H1 TIP3 7755 52.757 83.198 54.017 1.00 0.00 WT1 H ATOM 22632 H2 TIP3 7755 53.708 83.761 55.052 1.00 0.00 WT1 H ATOM 22633 OH2 TIP3 7757 85.081 96.024 52.029 1.00 0.00 WT1 O ATOM 22634 H1 TIP3 7757 84.172 96.170 52.289 1.00 0.00 WT1 H ATOM 22635 H2 TIP3 7757 85.507 95.696 52.821 1.00 0.00 WT1 H ATOM 22636 OH2 TIP3 7758 66.506 49.171 6.353 1.00 0.00 WT1 O ATOM 22637 H1 TIP3 7758 66.490 50.096 6.105 1.00 0.00 WT1 H ATOM 22638 H2 TIP3 7758 66.002 49.132 7.166 1.00 0.00 WT1 H ATOM 22639 OH2 TIP3 7759 67.451 84.489 1.867 1.00 0.00 WT1 O ATOM 22640 H1 TIP3 7759 67.521 83.536 1.813 1.00 0.00 WT1 H ATOM 22641 H2 TIP3 7759 68.287 84.810 1.529 1.00 0.00 WT1 H ATOM 22642 OH2 TIP3 7760 63.695 5.400 -16.804 1.00 0.00 WT1 O ATOM 22643 H1 TIP3 7760 63.631 4.620 -17.355 1.00 0.00 WT1 H ATOM 22644 H2 TIP3 7760 63.798 5.059 -15.915 1.00 0.00 WT1 H ATOM 22645 OH2 TIP3 7761 33.150 30.038 51.411 1.00 0.00 WT1 O ATOM 22646 H1 TIP3 7761 32.906 29.691 50.552 1.00 0.00 WT1 H ATOM 22647 H2 TIP3 7761 32.473 30.685 51.609 1.00 0.00 WT1 H ATOM 22648 OH2 TIP3 7763 38.507 43.112 11.988 1.00 0.00 WT1 O ATOM 22649 H1 TIP3 7763 39.385 43.461 11.833 1.00 0.00 WT1 H ATOM 22650 H2 TIP3 7763 38.239 43.498 12.822 1.00 0.00 WT1 H ATOM 22651 OH2 TIP3 7764 49.186 34.681 39.006 1.00 0.00 WT1 O ATOM 22652 H1 TIP3 7764 49.778 35.255 38.519 1.00 0.00 WT1 H ATOM 22653 H2 TIP3 7764 49.766 34.085 39.480 1.00 0.00 WT1 H ATOM 22654 OH2 TIP3 7765 81.215 90.365 31.686 1.00 0.00 WT1 O ATOM 22655 H1 TIP3 7765 81.683 89.981 30.945 1.00 0.00 WT1 H ATOM 22656 H2 TIP3 7765 80.790 89.621 32.113 1.00 0.00 WT1 H ATOM 22657 OH2 TIP3 7767 26.159 63.415 30.177 1.00 0.00 WT1 O ATOM 22658 H1 TIP3 7767 26.712 62.703 30.500 1.00 0.00 WT1 H ATOM 22659 H2 TIP3 7767 26.620 64.213 30.434 1.00 0.00 WT1 H ATOM 22660 OH2 TIP3 7768 25.156 79.824 58.899 1.00 0.00 WT1 O ATOM 22661 H1 TIP3 7768 25.978 80.218 58.608 1.00 0.00 WT1 H ATOM 22662 H2 TIP3 7768 24.702 79.591 58.089 1.00 0.00 WT1 H ATOM 22663 OH2 TIP3 7769 56.290 25.577 8.804 1.00 0.00 WT1 O ATOM 22664 H1 TIP3 7769 57.155 25.885 9.073 1.00 0.00 WT1 H ATOM 22665 H2 TIP3 7769 55.729 25.746 9.560 1.00 0.00 WT1 H ATOM 22666 OH2 TIP3 7770 30.858 40.386 53.485 1.00 0.00 WT1 O ATOM 22667 H1 TIP3 7770 31.603 40.728 52.991 1.00 0.00 WT1 H ATOM 22668 H2 TIP3 7770 30.464 41.159 53.890 1.00 0.00 WT1 H ATOM 22669 OH2 TIP3 7771 42.308 44.119 -10.640 1.00 0.00 WT1 O ATOM 22670 H1 TIP3 7771 41.371 43.926 -10.671 1.00 0.00 WT1 H ATOM 22671 H2 TIP3 7771 42.398 44.757 -9.932 1.00 0.00 WT1 H ATOM 22672 OH2 TIP3 7772 59.030 33.265 30.145 1.00 0.00 WT1 O ATOM 22673 H1 TIP3 7772 58.136 33.332 30.480 1.00 0.00 WT1 H ATOM 22674 H2 TIP3 7772 58.960 33.511 29.223 1.00 0.00 WT1 H ATOM 22675 OH2 TIP3 7773 41.156 89.377 39.201 1.00 0.00 WT1 O ATOM 22676 H1 TIP3 7773 42.000 89.645 38.839 1.00 0.00 WT1 H ATOM 22677 H2 TIP3 7773 41.349 89.138 40.108 1.00 0.00 WT1 H ATOM 22678 OH2 TIP3 7774 28.552 64.149 -15.699 1.00 0.00 WT1 O ATOM 22679 H1 TIP3 7774 29.188 63.504 -15.389 1.00 0.00 WT1 H ATOM 22680 H2 TIP3 7774 27.729 63.892 -15.283 1.00 0.00 WT1 H ATOM 22681 OH2 TIP3 7775 79.449 55.437 38.756 1.00 0.00 WT1 O ATOM 22682 H1 TIP3 7775 80.066 56.141 38.955 1.00 0.00 WT1 H ATOM 22683 H2 TIP3 7775 78.606 55.758 39.076 1.00 0.00 WT1 H ATOM 22684 OH2 TIP3 7776 70.588 17.844 -3.392 1.00 0.00 WT1 O ATOM 22685 H1 TIP3 7776 70.896 17.794 -2.487 1.00 0.00 WT1 H ATOM 22686 H2 TIP3 7776 71.379 17.737 -3.920 1.00 0.00 WT1 H ATOM 22687 OH2 TIP3 7777 63.571 53.335 -15.324 1.00 0.00 WT1 O ATOM 22688 H1 TIP3 7777 63.751 53.873 -16.094 1.00 0.00 WT1 H ATOM 22689 H2 TIP3 7777 63.664 53.935 -14.584 1.00 0.00 WT1 H ATOM 22690 OH2 TIP3 7778 74.604 25.844 5.722 1.00 0.00 WT1 O ATOM 22691 H1 TIP3 7778 74.751 24.898 5.744 1.00 0.00 WT1 H ATOM 22692 H2 TIP3 7778 74.499 26.092 6.640 1.00 0.00 WT1 H ATOM 22693 OH2 TIP3 7779 75.797 77.152 32.913 1.00 0.00 WT1 O ATOM 22694 H1 TIP3 7779 76.573 76.920 33.424 1.00 0.00 WT1 H ATOM 22695 H2 TIP3 7779 75.528 78.003 33.259 1.00 0.00 WT1 H ATOM 22696 OH2 TIP3 7780 44.193 7.930 5.966 1.00 0.00 WT1 O ATOM 22697 H1 TIP3 7780 44.656 8.764 6.035 1.00 0.00 WT1 H ATOM 22698 H2 TIP3 7780 44.160 7.750 5.027 1.00 0.00 WT1 H ATOM 22699 OH2 TIP3 7781 41.101 20.704 0.567 1.00 0.00 WT1 O ATOM 22700 H1 TIP3 7781 40.523 20.770 1.327 1.00 0.00 WT1 H ATOM 22701 H2 TIP3 7781 41.367 21.606 0.389 1.00 0.00 WT1 H ATOM 22702 OH2 TIP3 7782 66.938 87.322 31.492 1.00 0.00 WT1 O ATOM 22703 H1 TIP3 7782 67.349 87.917 32.118 1.00 0.00 WT1 H ATOM 22704 H2 TIP3 7782 67.058 87.747 30.642 1.00 0.00 WT1 H ATOM 22705 OH2 TIP3 7783 72.716 36.727 -8.346 1.00 0.00 WT1 O ATOM 22706 H1 TIP3 7783 71.857 37.012 -8.660 1.00 0.00 WT1 H ATOM 22707 H2 TIP3 7783 72.750 35.794 -8.554 1.00 0.00 WT1 H ATOM 22708 OH2 TIP3 7784 38.588 6.780 61.964 1.00 0.00 WT1 O ATOM 22709 H1 TIP3 7784 39.149 6.191 61.461 1.00 0.00 WT1 H ATOM 22710 H2 TIP3 7784 39.033 6.875 62.806 1.00 0.00 WT1 H ATOM 22711 OH2 TIP3 7785 65.523 16.433 36.863 1.00 0.00 WT1 O ATOM 22712 H1 TIP3 7785 65.269 17.279 37.232 1.00 0.00 WT1 H ATOM 22713 H2 TIP3 7785 65.263 16.485 35.943 1.00 0.00 WT1 H ATOM 22714 OH2 TIP3 7787 52.857 22.068 49.965 1.00 0.00 WT1 O ATOM 22715 H1 TIP3 7787 52.926 21.266 49.446 1.00 0.00 WT1 H ATOM 22716 H2 TIP3 7787 52.205 22.596 49.504 1.00 0.00 WT1 H ATOM 22717 OH2 TIP3 7788 87.513 2.744 -15.844 1.00 0.00 WT1 O ATOM 22718 H1 TIP3 7788 87.214 3.651 -15.915 1.00 0.00 WT1 H ATOM 22719 H2 TIP3 7788 88.011 2.592 -16.647 1.00 0.00 WT1 H ATOM 22720 OH2 TIP3 7789 71.579 68.117 17.486 1.00 0.00 WT1 O ATOM 22721 H1 TIP3 7789 70.969 67.581 17.992 1.00 0.00 WT1 H ATOM 22722 H2 TIP3 7789 71.475 69.000 17.841 1.00 0.00 WT1 H ATOM 22723 OH2 TIP3 7790 47.162 55.339 45.397 1.00 0.00 WT1 O ATOM 22724 H1 TIP3 7790 46.685 56.165 45.317 1.00 0.00 WT1 H ATOM 22725 H2 TIP3 7790 47.812 55.503 46.080 1.00 0.00 WT1 H ATOM 22726 OH2 TIP3 7791 25.770 65.952 55.069 1.00 0.00 WT1 O ATOM 22727 H1 TIP3 7791 26.646 65.749 55.398 1.00 0.00 WT1 H ATOM 22728 H2 TIP3 7791 25.748 65.569 54.192 1.00 0.00 WT1 H ATOM 22729 OH2 TIP3 7792 59.776 7.597 38.435 1.00 0.00 WT1 O ATOM 22730 H1 TIP3 7792 59.109 7.580 37.749 1.00 0.00 WT1 H ATOM 22731 H2 TIP3 7792 59.684 6.755 38.881 1.00 0.00 WT1 H ATOM 22732 OH2 TIP3 7793 35.921 67.605 0.605 1.00 0.00 WT1 O ATOM 22733 H1 TIP3 7793 35.395 67.238 -0.106 1.00 0.00 WT1 H ATOM 22734 H2 TIP3 7793 35.759 67.022 1.348 1.00 0.00 WT1 H ATOM 22735 OH2 TIP3 7794 61.695 39.943 35.388 1.00 0.00 WT1 O ATOM 22736 H1 TIP3 7794 61.895 40.020 34.455 1.00 0.00 WT1 H ATOM 22737 H2 TIP3 7794 61.005 39.282 35.432 1.00 0.00 WT1 H ATOM 22738 OH2 TIP3 7796 20.596 17.190 48.579 1.00 0.00 WT1 O ATOM 22739 H1 TIP3 7796 21.014 17.849 48.025 1.00 0.00 WT1 H ATOM 22740 H2 TIP3 7796 21.281 16.542 48.741 1.00 0.00 WT1 H ATOM 22741 OH2 TIP3 7797 41.924 93.556 -5.287 1.00 0.00 WT1 O ATOM 22742 H1 TIP3 7797 41.739 92.897 -4.618 1.00 0.00 WT1 H ATOM 22743 H2 TIP3 7797 41.564 93.187 -6.093 1.00 0.00 WT1 H ATOM 22744 OH2 TIP3 7798 75.936 71.164 23.881 1.00 0.00 WT1 O ATOM 22745 H1 TIP3 7798 75.181 70.940 23.337 1.00 0.00 WT1 H ATOM 22746 H2 TIP3 7798 75.622 71.865 24.452 1.00 0.00 WT1 H ATOM 22747 OH2 TIP3 7799 46.655 47.117 65.428 1.00 0.00 WT1 O ATOM 22748 H1 TIP3 7799 45.875 47.581 65.732 1.00 0.00 WT1 H ATOM 22749 H2 TIP3 7799 46.315 46.392 64.905 1.00 0.00 WT1 H ATOM 22750 OH2 TIP3 7800 66.355 65.335 24.499 1.00 0.00 WT1 O ATOM 22751 H1 TIP3 7800 65.706 64.633 24.544 1.00 0.00 WT1 H ATOM 22752 H2 TIP3 7800 65.896 66.108 24.828 1.00 0.00 WT1 H ATOM 22753 OH2 TIP3 7801 67.626 65.306 37.405 1.00 0.00 WT1 O ATOM 22754 H1 TIP3 7801 67.835 66.155 37.795 1.00 0.00 WT1 H ATOM 22755 H2 TIP3 7801 66.686 65.348 37.230 1.00 0.00 WT1 H ATOM 22756 OH2 TIP3 7803 70.870 9.564 -10.880 1.00 0.00 WT1 O ATOM 22757 H1 TIP3 7803 70.887 10.048 -10.054 1.00 0.00 WT1 H ATOM 22758 H2 TIP3 7803 71.741 9.172 -10.945 1.00 0.00 WT1 H ATOM 22759 OH2 TIP3 7804 57.944 83.764 16.147 1.00 0.00 WT1 O ATOM 22760 H1 TIP3 7804 57.138 83.708 16.661 1.00 0.00 WT1 H ATOM 22761 H2 TIP3 7804 57.664 83.609 15.245 1.00 0.00 WT1 H ATOM 22762 OH2 TIP3 7805 28.951 85.369 49.379 1.00 0.00 WT1 O ATOM 22763 H1 TIP3 7805 28.731 84.984 48.531 1.00 0.00 WT1 H ATOM 22764 H2 TIP3 7805 28.124 85.727 49.702 1.00 0.00 WT1 H ATOM 22765 OH2 TIP3 7807 34.832 8.328 8.694 1.00 0.00 WT1 O ATOM 22766 H1 TIP3 7807 35.666 8.040 9.064 1.00 0.00 WT1 H ATOM 22767 H2 TIP3 7807 34.915 8.161 7.755 1.00 0.00 WT1 H ATOM 22768 OH2 TIP3 7808 50.600 31.763 12.319 1.00 0.00 WT1 O ATOM 22769 H1 TIP3 7808 49.779 31.710 12.809 1.00 0.00 WT1 H ATOM 22770 H2 TIP3 7808 50.459 31.205 11.554 1.00 0.00 WT1 H ATOM 22771 OH2 TIP3 7809 65.381 28.987 22.719 1.00 0.00 WT1 O ATOM 22772 H1 TIP3 7809 65.383 28.389 21.972 1.00 0.00 WT1 H ATOM 22773 H2 TIP3 7809 65.129 29.832 22.349 1.00 0.00 WT1 H ATOM 22774 OH2 TIP3 7810 71.589 90.717 16.830 1.00 0.00 WT1 O ATOM 22775 H1 TIP3 7810 71.704 91.656 16.975 1.00 0.00 WT1 H ATOM 22776 H2 TIP3 7810 71.886 90.311 17.644 1.00 0.00 WT1 H ATOM 22777 OH2 TIP3 7811 36.058 26.903 -17.981 1.00 0.00 WT1 O ATOM 22778 H1 TIP3 7811 35.462 26.291 -18.412 1.00 0.00 WT1 H ATOM 22779 H2 TIP3 7811 36.205 27.592 -18.628 1.00 0.00 WT1 H ATOM 22780 OH2 TIP3 7812 45.180 62.914 -19.335 1.00 0.00 WT1 O ATOM 22781 H1 TIP3 7812 44.948 63.841 -19.375 1.00 0.00 WT1 H ATOM 22782 H2 TIP3 7812 44.753 62.526 -20.098 1.00 0.00 WT1 H ATOM 22783 OH2 TIP3 7813 79.860 43.599 1.838 1.00 0.00 WT1 O ATOM 22784 H1 TIP3 7813 79.202 44.020 2.392 1.00 0.00 WT1 H ATOM 22785 H2 TIP3 7813 80.678 44.046 2.055 1.00 0.00 WT1 H ATOM 22786 OH2 TIP3 7814 40.995 30.269 62.351 1.00 0.00 WT1 O ATOM 22787 H1 TIP3 7814 41.229 31.064 62.830 1.00 0.00 WT1 H ATOM 22788 H2 TIP3 7814 40.107 30.064 62.643 1.00 0.00 WT1 H ATOM 22789 OH2 TIP3 7815 80.884 3.048 -16.123 1.00 0.00 WT1 O ATOM 22790 H1 TIP3 7815 80.867 2.617 -15.269 1.00 0.00 WT1 H ATOM 22791 H2 TIP3 7815 80.102 2.725 -16.570 1.00 0.00 WT1 H ATOM 22792 OH2 TIP3 7816 36.571 20.036 2.421 1.00 0.00 WT1 O ATOM 22793 H1 TIP3 7816 36.589 19.653 1.544 1.00 0.00 WT1 H ATOM 22794 H2 TIP3 7816 37.423 20.462 2.515 1.00 0.00 WT1 H ATOM 22795 OH2 TIP3 7817 85.689 44.600 26.620 1.00 0.00 WT1 O ATOM 22796 H1 TIP3 7817 86.318 43.914 26.846 1.00 0.00 WT1 H ATOM 22797 H2 TIP3 7817 84.851 44.276 26.951 1.00 0.00 WT1 H ATOM 22798 OH2 TIP3 7818 45.132 64.631 -16.926 1.00 0.00 WT1 O ATOM 22799 H1 TIP3 7818 44.334 64.882 -16.461 1.00 0.00 WT1 H ATOM 22800 H2 TIP3 7818 44.984 64.914 -17.828 1.00 0.00 WT1 H ATOM 22801 OH2 TIP3 7819 34.414 22.813 52.659 1.00 0.00 WT1 O ATOM 22802 H1 TIP3 7819 35.362 22.945 52.639 1.00 0.00 WT1 H ATOM 22803 H2 TIP3 7819 34.058 23.664 52.913 1.00 0.00 WT1 H ATOM 22804 OH2 TIP3 7820 46.813 74.421 -8.540 1.00 0.00 WT1 O ATOM 22805 H1 TIP3 7820 46.936 73.604 -8.057 1.00 0.00 WT1 H ATOM 22806 H2 TIP3 7820 46.673 74.146 -9.446 1.00 0.00 WT1 H ATOM 22807 OH2 TIP3 7821 30.282 46.531 11.829 1.00 0.00 WT1 O ATOM 22808 H1 TIP3 7821 30.050 46.771 10.932 1.00 0.00 WT1 H ATOM 22809 H2 TIP3 7821 29.530 46.805 12.354 1.00 0.00 WT1 H ATOM 22810 OH2 TIP3 7822 75.407 33.199 40.880 1.00 0.00 WT1 O ATOM 22811 H1 TIP3 7822 75.520 32.718 41.700 1.00 0.00 WT1 H ATOM 22812 H2 TIP3 7822 74.719 33.837 41.069 1.00 0.00 WT1 H ATOM 22813 OH2 TIP3 7823 82.772 64.993 26.394 1.00 0.00 WT1 O ATOM 22814 H1 TIP3 7823 83.673 65.296 26.505 1.00 0.00 WT1 H ATOM 22815 H2 TIP3 7823 82.824 64.042 26.490 1.00 0.00 WT1 H ATOM 22816 OH2 TIP3 7824 75.227 15.850 -1.288 1.00 0.00 WT1 O ATOM 22817 H1 TIP3 7824 75.287 15.683 -2.228 1.00 0.00 WT1 H ATOM 22818 H2 TIP3 7824 74.653 16.613 -1.216 1.00 0.00 WT1 H ATOM 22819 OH2 TIP3 7825 80.205 47.016 -9.932 1.00 0.00 WT1 O ATOM 22820 H1 TIP3 7825 80.779 46.270 -10.105 1.00 0.00 WT1 H ATOM 22821 H2 TIP3 7825 80.514 47.700 -10.526 1.00 0.00 WT1 H ATOM 22822 OH2 TIP3 7826 36.735 57.555 12.883 1.00 0.00 WT1 O ATOM 22823 H1 TIP3 7826 37.687 57.532 12.986 1.00 0.00 WT1 H ATOM 22824 H2 TIP3 7826 36.575 58.299 12.303 1.00 0.00 WT1 H ATOM 22825 OH2 TIP3 7827 22.911 6.851 58.377 1.00 0.00 WT1 O ATOM 22826 H1 TIP3 7827 23.066 7.790 58.272 1.00 0.00 WT1 H ATOM 22827 H2 TIP3 7827 22.850 6.516 57.483 1.00 0.00 WT1 H ATOM 22828 OH2 TIP3 7828 86.269 67.960 53.250 1.00 0.00 WT1 O ATOM 22829 H1 TIP3 7828 86.713 67.129 53.081 1.00 0.00 WT1 H ATOM 22830 H2 TIP3 7828 86.953 68.529 53.604 1.00 0.00 WT1 H ATOM 22831 OH2 TIP3 7829 78.350 47.066 37.083 1.00 0.00 WT1 O ATOM 22832 H1 TIP3 7829 79.166 47.379 36.692 1.00 0.00 WT1 H ATOM 22833 H2 TIP3 7829 77.896 47.863 37.357 1.00 0.00 WT1 H ATOM 22834 OH2 TIP3 7830 39.774 36.241 30.125 1.00 0.00 WT1 O ATOM 22835 H1 TIP3 7830 40.641 36.075 30.493 1.00 0.00 WT1 H ATOM 22836 H2 TIP3 7830 39.878 37.048 29.620 1.00 0.00 WT1 H ATOM 22837 OH2 TIP3 7831 53.285 46.824 18.968 1.00 0.00 WT1 O ATOM 22838 H1 TIP3 7831 53.027 47.633 19.408 1.00 0.00 WT1 H ATOM 22839 H2 TIP3 7831 52.554 46.225 19.118 1.00 0.00 WT1 H ATOM 22840 OH2 TIP3 7832 45.843 6.706 62.643 1.00 0.00 WT1 O ATOM 22841 H1 TIP3 7832 46.215 6.861 61.775 1.00 0.00 WT1 H ATOM 22842 H2 TIP3 7832 46.361 7.260 63.228 1.00 0.00 WT1 H ATOM 22843 OH2 TIP3 7833 61.952 52.062 2.597 1.00 0.00 WT1 O ATOM 22844 H1 TIP3 7833 61.497 52.843 2.282 1.00 0.00 WT1 H ATOM 22845 H2 TIP3 7833 61.949 52.151 3.550 1.00 0.00 WT1 H ATOM 22846 OH2 TIP3 7834 50.150 42.745 35.118 1.00 0.00 WT1 O ATOM 22847 H1 TIP3 7834 50.194 42.987 34.193 1.00 0.00 WT1 H ATOM 22848 H2 TIP3 7834 49.225 42.548 35.270 1.00 0.00 WT1 H ATOM 22849 OH2 TIP3 7835 61.210 24.202 -11.130 1.00 0.00 WT1 O ATOM 22850 H1 TIP3 7835 61.065 24.615 -10.278 1.00 0.00 WT1 H ATOM 22851 H2 TIP3 7835 60.527 24.568 -11.693 1.00 0.00 WT1 H ATOM 22852 OH2 TIP3 7836 79.189 53.280 0.800 1.00 0.00 WT1 O ATOM 22853 H1 TIP3 7836 78.643 53.244 1.584 1.00 0.00 WT1 H ATOM 22854 H2 TIP3 7836 78.611 53.624 0.119 1.00 0.00 WT1 H ATOM 22855 OH2 TIP3 7837 28.750 85.664 0.157 1.00 0.00 WT1 O ATOM 22856 H1 TIP3 7837 28.675 84.737 0.382 1.00 0.00 WT1 H ATOM 22857 H2 TIP3 7837 29.335 86.026 0.823 1.00 0.00 WT1 H ATOM 22858 OH2 TIP3 7838 89.321 74.277 65.747 1.00 0.00 WT1 O ATOM 22859 H1 TIP3 7838 88.796 75.038 65.499 1.00 0.00 WT1 H ATOM 22860 H2 TIP3 7838 88.933 73.549 65.261 1.00 0.00 WT1 H ATOM 22861 OH2 TIP3 7839 29.314 35.320 47.518 1.00 0.00 WT1 O ATOM 22862 H1 TIP3 7839 28.887 36.138 47.773 1.00 0.00 WT1 H ATOM 22863 H2 TIP3 7839 30.151 35.593 47.142 1.00 0.00 WT1 H ATOM 22864 OH2 TIP3 7840 47.406 60.666 -8.604 1.00 0.00 WT1 O ATOM 22865 H1 TIP3 7840 47.791 59.985 -8.052 1.00 0.00 WT1 H ATOM 22866 H2 TIP3 7840 47.785 61.482 -8.278 1.00 0.00 WT1 H ATOM 22867 OH2 TIP3 7841 53.659 82.874 25.393 1.00 0.00 WT1 O ATOM 22868 H1 TIP3 7841 54.509 83.311 25.349 1.00 0.00 WT1 H ATOM 22869 H2 TIP3 7841 53.020 83.580 25.295 1.00 0.00 WT1 H ATOM 22870 OH2 TIP3 7842 33.120 4.673 20.252 1.00 0.00 WT1 O ATOM 22871 H1 TIP3 7842 34.037 4.417 20.349 1.00 0.00 WT1 H ATOM 22872 H2 TIP3 7842 32.838 4.898 21.138 1.00 0.00 WT1 H ATOM 22873 OH2 TIP3 7843 23.989 14.479 62.755 1.00 0.00 WT1 O ATOM 22874 H1 TIP3 7843 24.686 14.257 63.373 1.00 0.00 WT1 H ATOM 22875 H2 TIP3 7843 23.259 14.759 63.308 1.00 0.00 WT1 H ATOM 22876 OH2 TIP3 7844 79.627 50.859 19.648 1.00 0.00 WT1 O ATOM 22877 H1 TIP3 7844 79.491 50.178 20.306 1.00 0.00 WT1 H ATOM 22878 H2 TIP3 7844 79.091 51.594 19.947 1.00 0.00 WT1 H ATOM 22879 OH2 TIP3 7845 78.893 42.304 32.702 1.00 0.00 WT1 O ATOM 22880 H1 TIP3 7845 79.456 41.647 33.112 1.00 0.00 WT1 H ATOM 22881 H2 TIP3 7845 78.261 41.794 32.194 1.00 0.00 WT1 H ATOM 22882 OH2 TIP3 7846 73.617 40.908 47.548 1.00 0.00 WT1 O ATOM 22883 H1 TIP3 7846 74.119 40.097 47.476 1.00 0.00 WT1 H ATOM 22884 H2 TIP3 7846 74.273 41.582 47.726 1.00 0.00 WT1 H ATOM 22885 OH2 TIP3 7847 68.703 59.918 3.203 1.00 0.00 WT1 O ATOM 22886 H1 TIP3 7847 68.657 60.220 4.110 1.00 0.00 WT1 H ATOM 22887 H2 TIP3 7847 69.078 60.656 2.723 1.00 0.00 WT1 H ATOM 22888 OH2 TIP3 7849 80.105 27.958 -13.892 1.00 0.00 WT1 O ATOM 22889 H1 TIP3 7849 80.468 27.170 -14.296 1.00 0.00 WT1 H ATOM 22890 H2 TIP3 7849 79.330 28.161 -14.416 1.00 0.00 WT1 H ATOM 22891 OH2 TIP3 7850 76.752 58.769 34.830 1.00 0.00 WT1 O ATOM 22892 H1 TIP3 7850 77.698 58.632 34.764 1.00 0.00 WT1 H ATOM 22893 H2 TIP3 7850 76.435 58.690 33.931 1.00 0.00 WT1 H ATOM 22894 OH2 TIP3 7851 68.627 35.808 8.450 1.00 0.00 WT1 O ATOM 22895 H1 TIP3 7851 68.290 35.860 9.345 1.00 0.00 WT1 H ATOM 22896 H2 TIP3 7851 68.340 36.622 8.038 1.00 0.00 WT1 H ATOM 22897 OH2 TIP3 7852 75.186 39.949 -16.424 1.00 0.00 WT1 O ATOM 22898 H1 TIP3 7852 75.638 40.443 -17.108 1.00 0.00 WT1 H ATOM 22899 H2 TIP3 7852 75.737 40.054 -15.648 1.00 0.00 WT1 H ATOM 22900 OH2 TIP3 7853 81.489 13.681 55.826 1.00 0.00 WT1 O ATOM 22901 H1 TIP3 7853 81.765 13.934 56.707 1.00 0.00 WT1 H ATOM 22902 H2 TIP3 7853 80.713 14.215 55.655 1.00 0.00 WT1 H ATOM 22903 OH2 TIP3 7854 86.359 21.923 -18.594 1.00 0.00 WT1 O ATOM 22904 H1 TIP3 7854 87.178 22.412 -18.511 1.00 0.00 WT1 H ATOM 22905 H2 TIP3 7854 86.400 21.266 -17.900 1.00 0.00 WT1 H ATOM 22906 OH2 TIP3 7856 58.943 24.142 -0.774 1.00 0.00 WT1 O ATOM 22907 H1 TIP3 7856 59.199 23.827 0.092 1.00 0.00 WT1 H ATOM 22908 H2 TIP3 7856 58.258 24.788 -0.602 1.00 0.00 WT1 H ATOM 22909 OH2 TIP3 7857 87.803 8.345 10.444 1.00 0.00 WT1 O ATOM 22910 H1 TIP3 7857 88.385 8.944 10.912 1.00 0.00 WT1 H ATOM 22911 H2 TIP3 7857 87.581 8.808 9.637 1.00 0.00 WT1 H ATOM 22912 OH2 TIP3 7858 23.846 95.264 -5.033 1.00 0.00 WT1 O ATOM 22913 H1 TIP3 7858 23.591 96.186 -5.002 1.00 0.00 WT1 H ATOM 22914 H2 TIP3 7858 23.095 94.794 -4.669 1.00 0.00 WT1 H ATOM 22915 OH2 TIP3 7859 34.161 33.322 -2.650 1.00 0.00 WT1 O ATOM 22916 H1 TIP3 7859 35.024 33.201 -3.045 1.00 0.00 WT1 H ATOM 22917 H2 TIP3 7859 34.300 33.980 -1.968 1.00 0.00 WT1 H ATOM 22918 OH2 TIP3 7860 87.194 27.925 29.752 1.00 0.00 WT1 O ATOM 22919 H1 TIP3 7860 86.522 28.572 29.968 1.00 0.00 WT1 H ATOM 22920 H2 TIP3 7860 87.492 28.172 28.877 1.00 0.00 WT1 H ATOM 22921 OH2 TIP3 7861 61.407 48.575 3.724 1.00 0.00 WT1 O ATOM 22922 H1 TIP3 7861 62.210 48.492 4.238 1.00 0.00 WT1 H ATOM 22923 H2 TIP3 7861 61.703 48.869 2.862 1.00 0.00 WT1 H ATOM 22924 OH2 TIP3 7862 76.021 56.338 10.001 1.00 0.00 WT1 O ATOM 22925 H1 TIP3 7862 75.619 57.197 9.874 1.00 0.00 WT1 H ATOM 22926 H2 TIP3 7862 75.774 56.087 10.891 1.00 0.00 WT1 H ATOM 22927 OH2 TIP3 7863 34.534 79.905 40.115 1.00 0.00 WT1 O ATOM 22928 H1 TIP3 7863 34.781 79.026 40.403 1.00 0.00 WT1 H ATOM 22929 H2 TIP3 7863 34.829 80.480 40.821 1.00 0.00 WT1 H ATOM 22930 OH2 TIP3 7864 47.957 74.282 0.749 1.00 0.00 WT1 O ATOM 22931 H1 TIP3 7864 47.192 73.755 0.982 1.00 0.00 WT1 H ATOM 22932 H2 TIP3 7864 48.134 74.806 1.530 1.00 0.00 WT1 H ATOM 22933 OH2 TIP3 7865 61.688 41.378 -15.350 1.00 0.00 WT1 O ATOM 22934 H1 TIP3 7865 62.510 40.960 -15.096 1.00 0.00 WT1 H ATOM 22935 H2 TIP3 7865 61.950 42.086 -15.939 1.00 0.00 WT1 H ATOM 22936 OH2 TIP3 7866 66.330 20.889 24.647 1.00 0.00 WT1 O ATOM 22937 H1 TIP3 7866 65.599 20.465 24.199 1.00 0.00 WT1 H ATOM 22938 H2 TIP3 7866 66.716 20.198 25.186 1.00 0.00 WT1 H ATOM 22939 OH2 TIP3 7867 59.642 22.672 6.434 1.00 0.00 WT1 O ATOM 22940 H1 TIP3 7867 59.647 23.630 6.432 1.00 0.00 WT1 H ATOM 22941 H2 TIP3 7867 59.017 22.434 5.749 1.00 0.00 WT1 H ATOM 22942 OH2 TIP3 7868 82.732 1.552 56.958 1.00 0.00 WT1 O ATOM 22943 H1 TIP3 7868 81.994 2.078 57.267 1.00 0.00 WT1 H ATOM 22944 H2 TIP3 7868 83.424 2.190 56.782 1.00 0.00 WT1 H ATOM 22945 OH2 TIP3 7869 37.675 2.374 47.899 1.00 0.00 WT1 O ATOM 22946 H1 TIP3 7869 38.234 2.751 48.579 1.00 0.00 WT1 H ATOM 22947 H2 TIP3 7869 38.193 2.447 47.097 1.00 0.00 WT1 H ATOM 22948 OH2 TIP3 7870 48.452 19.454 -16.802 1.00 0.00 WT1 O ATOM 22949 H1 TIP3 7870 48.183 19.547 -15.888 1.00 0.00 WT1 H ATOM 22950 H2 TIP3 7870 49.065 18.719 -16.799 1.00 0.00 WT1 H ATOM 22951 OH2 TIP3 7871 64.047 84.171 55.030 1.00 0.00 WT1 O ATOM 22952 H1 TIP3 7871 63.837 83.575 55.748 1.00 0.00 WT1 H ATOM 22953 H2 TIP3 7871 64.871 84.582 55.292 1.00 0.00 WT1 H ATOM 22954 OH2 TIP3 7872 87.513 77.828 66.086 1.00 0.00 WT1 O ATOM 22955 H1 TIP3 7872 88.405 77.769 66.429 1.00 0.00 WT1 H ATOM 22956 H2 TIP3 7872 87.595 77.591 65.163 1.00 0.00 WT1 H ATOM 22957 OH2 TIP3 7874 20.289 62.081 25.737 1.00 0.00 WT1 O ATOM 22958 H1 TIP3 7874 21.208 62.327 25.639 1.00 0.00 WT1 H ATOM 22959 H2 TIP3 7874 19.884 62.332 24.907 1.00 0.00 WT1 H ATOM 22960 OH2 TIP3 7875 54.347 72.943 49.219 1.00 0.00 WT1 O ATOM 22961 H1 TIP3 7875 55.261 72.887 49.497 1.00 0.00 WT1 H ATOM 22962 H2 TIP3 7875 53.913 73.431 49.919 1.00 0.00 WT1 H ATOM 22963 OH2 TIP3 7877 74.577 73.096 2.265 1.00 0.00 WT1 O ATOM 22964 H1 TIP3 7877 74.933 72.314 1.842 1.00 0.00 WT1 H ATOM 22965 H2 TIP3 7877 73.634 73.044 2.108 1.00 0.00 WT1 H ATOM 22966 OH2 TIP3 7878 83.874 71.982 63.849 1.00 0.00 WT1 O ATOM 22967 H1 TIP3 7878 82.928 71.847 63.792 1.00 0.00 WT1 H ATOM 22968 H2 TIP3 7878 84.250 71.268 63.335 1.00 0.00 WT1 H ATOM 22969 OH2 TIP3 7879 29.599 89.448 63.478 1.00 0.00 WT1 O ATOM 22970 H1 TIP3 7879 30.173 89.920 64.081 1.00 0.00 WT1 H ATOM 22971 H2 TIP3 7879 30.194 88.938 62.929 1.00 0.00 WT1 H ATOM 22972 OH2 TIP3 7880 87.131 6.321 -8.675 1.00 0.00 WT1 O ATOM 22973 H1 TIP3 7880 88.054 6.466 -8.882 1.00 0.00 WT1 H ATOM 22974 H2 TIP3 7880 86.732 7.189 -8.736 1.00 0.00 WT1 H ATOM 22975 OH2 TIP3 7881 50.822 73.915 -12.011 1.00 0.00 WT1 O ATOM 22976 H1 TIP3 7881 50.947 73.093 -11.537 1.00 0.00 WT1 H ATOM 22977 H2 TIP3 7881 50.053 73.761 -12.559 1.00 0.00 WT1 H ATOM 22978 OH2 TIP3 7882 90.202 43.361 62.860 1.00 0.00 WT1 O ATOM 22979 H1 TIP3 7882 90.067 43.919 63.626 1.00 0.00 WT1 H ATOM 22980 H2 TIP3 7882 91.153 43.296 62.775 1.00 0.00 WT1 H ATOM 22981 OH2 TIP3 7883 87.232 70.509 -9.771 1.00 0.00 WT1 O ATOM 22982 H1 TIP3 7883 88.070 70.673 -9.340 1.00 0.00 WT1 H ATOM 22983 H2 TIP3 7883 86.575 70.754 -9.120 1.00 0.00 WT1 H ATOM 22984 OH2 TIP3 7884 24.658 51.447 12.147 1.00 0.00 WT1 O ATOM 22985 H1 TIP3 7884 25.354 51.719 11.549 1.00 0.00 WT1 H ATOM 22986 H2 TIP3 7884 24.254 50.694 11.718 1.00 0.00 WT1 H ATOM 22987 OH2 TIP3 7885 39.380 56.830 -3.172 1.00 0.00 WT1 O ATOM 22988 H1 TIP3 7885 39.310 57.429 -3.915 1.00 0.00 WT1 H ATOM 22989 H2 TIP3 7885 40.192 57.084 -2.735 1.00 0.00 WT1 H ATOM 22990 OH2 TIP3 7886 85.396 21.208 5.575 1.00 0.00 WT1 O ATOM 22991 H1 TIP3 7886 86.237 21.641 5.427 1.00 0.00 WT1 H ATOM 22992 H2 TIP3 7886 85.394 20.473 4.962 1.00 0.00 WT1 H ATOM 22993 OH2 TIP3 7887 87.060 52.641 2.472 1.00 0.00 WT1 O ATOM 22994 H1 TIP3 7887 86.795 53.203 3.201 1.00 0.00 WT1 H ATOM 22995 H2 TIP3 7887 87.205 51.783 2.871 1.00 0.00 WT1 H ATOM 22996 OH2 TIP3 7889 56.854 56.180 -12.815 1.00 0.00 WT1 O ATOM 22997 H1 TIP3 7889 56.286 55.508 -13.192 1.00 0.00 WT1 H ATOM 22998 H2 TIP3 7889 57.113 55.826 -11.964 1.00 0.00 WT1 H ATOM 22999 OH2 TIP3 7890 37.395 24.976 18.082 1.00 0.00 WT1 O ATOM 23000 H1 TIP3 7890 36.559 25.002 17.616 1.00 0.00 WT1 H ATOM 23001 H2 TIP3 7890 38.039 24.761 17.407 1.00 0.00 WT1 H ATOM 23002 OH2 TIP3 7891 25.789 55.311 22.775 1.00 0.00 WT1 O ATOM 23003 H1 TIP3 7891 25.933 54.677 22.073 1.00 0.00 WT1 H ATOM 23004 H2 TIP3 7891 26.665 55.497 23.114 1.00 0.00 WT1 H ATOM 23005 OH2 TIP3 7892 27.411 58.244 37.175 1.00 0.00 WT1 O ATOM 23006 H1 TIP3 7892 28.238 58.357 37.643 1.00 0.00 WT1 H ATOM 23007 H2 TIP3 7892 27.402 57.321 36.921 1.00 0.00 WT1 H ATOM 23008 OH2 TIP3 7893 90.305 29.177 48.596 1.00 0.00 WT1 O ATOM 23009 H1 TIP3 7893 89.917 29.985 48.933 1.00 0.00 WT1 H ATOM 23010 H2 TIP3 7893 90.294 29.284 47.645 1.00 0.00 WT1 H ATOM 23011 OH2 TIP3 7895 73.295 19.269 53.927 1.00 0.00 WT1 O ATOM 23012 H1 TIP3 7895 73.294 19.807 54.719 1.00 0.00 WT1 H ATOM 23013 H2 TIP3 7895 73.953 19.675 53.362 1.00 0.00 WT1 H ATOM 23014 OH2 TIP3 7896 82.172 41.769 39.235 1.00 0.00 WT1 O ATOM 23015 H1 TIP3 7896 81.491 41.162 39.529 1.00 0.00 WT1 H ATOM 23016 H2 TIP3 7896 82.888 41.645 39.858 1.00 0.00 WT1 H ATOM 23017 OH2 TIP3 7897 40.263 2.321 56.470 1.00 0.00 WT1 O ATOM 23018 H1 TIP3 7897 41.177 2.601 56.512 1.00 0.00 WT1 H ATOM 23019 H2 TIP3 7897 40.012 2.179 57.382 1.00 0.00 WT1 H ATOM 23020 OH2 TIP3 7899 81.039 71.489 63.798 1.00 0.00 WT1 O ATOM 23021 H1 TIP3 7899 81.115 71.331 62.857 1.00 0.00 WT1 H ATOM 23022 H2 TIP3 7899 80.138 71.790 63.919 1.00 0.00 WT1 H ATOM 23023 OH2 TIP3 7900 34.538 95.182 17.588 1.00 0.00 WT1 O ATOM 23024 H1 TIP3 7900 33.795 94.644 17.859 1.00 0.00 WT1 H ATOM 23025 H2 TIP3 7900 34.683 94.946 16.671 1.00 0.00 WT1 H ATOM 23026 OH2 TIP3 7901 89.747 63.643 -8.548 1.00 0.00 WT1 O ATOM 23027 H1 TIP3 7901 89.549 64.431 -9.054 1.00 0.00 WT1 H ATOM 23028 H2 TIP3 7901 89.163 62.975 -8.906 1.00 0.00 WT1 H ATOM 23029 OH2 TIP3 7902 49.035 91.089 29.087 1.00 0.00 WT1 O ATOM 23030 H1 TIP3 7902 48.463 91.448 29.766 1.00 0.00 WT1 H ATOM 23031 H2 TIP3 7902 48.483 90.467 28.613 1.00 0.00 WT1 H ATOM 23032 OH2 TIP3 7904 30.517 96.533 -0.287 1.00 0.00 WT1 O ATOM 23033 H1 TIP3 7904 29.601 96.257 -0.280 1.00 0.00 WT1 H ATOM 23034 H2 TIP3 7904 31.004 95.741 -0.515 1.00 0.00 WT1 H ATOM 23035 OH2 TIP3 7905 71.523 37.990 3.192 1.00 0.00 WT1 O ATOM 23036 H1 TIP3 7905 72.020 37.495 3.844 1.00 0.00 WT1 H ATOM 23037 H2 TIP3 7905 71.033 38.635 3.703 1.00 0.00 WT1 H ATOM 23038 OH2 TIP3 7906 72.188 26.682 19.187 1.00 0.00 WT1 O ATOM 23039 H1 TIP3 7906 72.521 26.572 18.297 1.00 0.00 WT1 H ATOM 23040 H2 TIP3 7906 71.239 26.598 19.101 1.00 0.00 WT1 H ATOM 23041 OH2 TIP3 7907 50.113 49.077 -13.505 1.00 0.00 WT1 O ATOM 23042 H1 TIP3 7907 50.277 49.543 -12.685 1.00 0.00 WT1 H ATOM 23043 H2 TIP3 7907 49.159 49.022 -13.563 1.00 0.00 WT1 H ATOM 23044 OH2 TIP3 7908 74.815 0.532 6.431 1.00 0.00 WT1 O ATOM 23045 H1 TIP3 7908 73.984 0.855 6.084 1.00 0.00 WT1 H ATOM 23046 H2 TIP3 7908 74.731 -0.421 6.410 1.00 0.00 WT1 H ATOM 23047 OH2 TIP3 7909 59.291 59.068 -11.419 1.00 0.00 WT1 O ATOM 23048 H1 TIP3 7909 59.034 58.489 -10.702 1.00 0.00 WT1 H ATOM 23049 H2 TIP3 7909 60.241 58.970 -11.479 1.00 0.00 WT1 H ATOM 23050 OH2 TIP3 7910 50.352 73.235 48.268 1.00 0.00 WT1 O ATOM 23051 H1 TIP3 7910 49.930 73.922 48.784 1.00 0.00 WT1 H ATOM 23052 H2 TIP3 7910 50.071 72.418 48.680 1.00 0.00 WT1 H ATOM 23053 OH2 TIP3 7911 85.417 47.805 49.594 1.00 0.00 WT1 O ATOM 23054 H1 TIP3 7911 85.157 47.213 50.300 1.00 0.00 WT1 H ATOM 23055 H2 TIP3 7911 86.373 47.812 49.626 1.00 0.00 WT1 H ATOM 23056 OH2 TIP3 7912 41.358 65.932 -1.050 1.00 0.00 WT1 O ATOM 23057 H1 TIP3 7912 41.908 66.622 -0.679 1.00 0.00 WT1 H ATOM 23058 H2 TIP3 7912 41.013 65.465 -0.288 1.00 0.00 WT1 H ATOM 23059 OH2 TIP3 7913 79.694 80.243 -16.789 1.00 0.00 WT1 O ATOM 23060 H1 TIP3 7913 79.633 80.057 -15.852 1.00 0.00 WT1 H ATOM 23061 H2 TIP3 7913 80.360 80.928 -16.855 1.00 0.00 WT1 H ATOM 23062 OH2 TIP3 7914 61.968 38.844 45.927 1.00 0.00 WT1 O ATOM 23063 H1 TIP3 7914 61.912 39.205 46.812 1.00 0.00 WT1 H ATOM 23064 H2 TIP3 7914 61.109 38.450 45.773 1.00 0.00 WT1 H ATOM 23065 OH2 TIP3 7915 62.186 70.454 57.460 1.00 0.00 WT1 O ATOM 23066 H1 TIP3 7915 62.508 70.039 58.260 1.00 0.00 WT1 H ATOM 23067 H2 TIP3 7915 62.548 69.922 56.751 1.00 0.00 WT1 H ATOM 23068 OH2 TIP3 7916 31.724 40.030 33.259 1.00 0.00 WT1 O ATOM 23069 H1 TIP3 7916 30.892 40.485 33.129 1.00 0.00 WT1 H ATOM 23070 H2 TIP3 7916 32.264 40.300 32.517 1.00 0.00 WT1 H ATOM 23071 OH2 TIP3 7917 29.649 67.985 17.315 1.00 0.00 WT1 O ATOM 23072 H1 TIP3 7917 30.439 67.927 16.778 1.00 0.00 WT1 H ATOM 23073 H2 TIP3 7917 29.575 68.914 17.533 1.00 0.00 WT1 H ATOM 23074 OH2 TIP3 7918 32.393 41.419 39.966 1.00 0.00 WT1 O ATOM 23075 H1 TIP3 7918 31.765 40.715 40.128 1.00 0.00 WT1 H ATOM 23076 H2 TIP3 7918 32.462 41.464 39.012 1.00 0.00 WT1 H ATOM 23077 OH2 TIP3 7919 22.812 26.491 23.895 1.00 0.00 WT1 O ATOM 23078 H1 TIP3 7919 21.886 26.719 23.810 1.00 0.00 WT1 H ATOM 23079 H2 TIP3 7919 23.180 27.185 24.443 1.00 0.00 WT1 H ATOM 23080 OH2 TIP3 7920 47.538 90.709 65.188 1.00 0.00 WT1 O ATOM 23081 H1 TIP3 7920 48.292 90.300 64.763 1.00 0.00 WT1 H ATOM 23082 H2 TIP3 7920 47.515 91.597 64.832 1.00 0.00 WT1 H ATOM 23083 OH2 TIP3 7921 20.936 43.615 -0.618 1.00 0.00 WT1 O ATOM 23084 H1 TIP3 7921 20.066 43.336 -0.903 1.00 0.00 WT1 H ATOM 23085 H2 TIP3 7921 20.886 44.570 -0.595 1.00 0.00 WT1 H ATOM 23086 OH2 TIP3 7922 67.386 86.631 -13.578 1.00 0.00 WT1 O ATOM 23087 H1 TIP3 7922 66.459 86.396 -13.621 1.00 0.00 WT1 H ATOM 23088 H2 TIP3 7922 67.679 86.620 -14.489 1.00 0.00 WT1 H ATOM 23089 OH2 TIP3 7923 83.339 88.748 -16.794 1.00 0.00 WT1 O ATOM 23090 H1 TIP3 7923 83.196 88.846 -17.736 1.00 0.00 WT1 H ATOM 23091 H2 TIP3 7923 84.102 88.174 -16.725 1.00 0.00 WT1 H ATOM 23092 OH2 TIP3 7924 86.512 44.736 4.535 1.00 0.00 WT1 O ATOM 23093 H1 TIP3 7924 86.884 43.879 4.327 1.00 0.00 WT1 H ATOM 23094 H2 TIP3 7924 87.222 45.205 4.973 1.00 0.00 WT1 H ATOM 23095 OH2 TIP3 7925 55.924 73.139 -14.299 1.00 0.00 WT1 O ATOM 23096 H1 TIP3 7925 56.579 72.442 -14.329 1.00 0.00 WT1 H ATOM 23097 H2 TIP3 7925 55.088 72.680 -14.220 1.00 0.00 WT1 H ATOM 23098 OH2 TIP3 7926 68.027 71.171 -19.149 1.00 0.00 WT1 O ATOM 23099 H1 TIP3 7926 67.405 71.452 -19.820 1.00 0.00 WT1 H ATOM 23100 H2 TIP3 7926 68.823 70.956 -19.636 1.00 0.00 WT1 H ATOM 23101 OH2 TIP3 7927 73.887 12.119 50.240 1.00 0.00 WT1 O ATOM 23102 H1 TIP3 7927 73.832 13.071 50.326 1.00 0.00 WT1 H ATOM 23103 H2 TIP3 7927 73.004 11.850 49.986 1.00 0.00 WT1 H ATOM 23104 OH2 TIP3 7928 75.022 87.480 42.042 1.00 0.00 WT1 O ATOM 23105 H1 TIP3 7928 75.574 86.707 42.161 1.00 0.00 WT1 H ATOM 23106 H2 TIP3 7928 74.137 87.176 42.244 1.00 0.00 WT1 H ATOM 23107 OH2 TIP3 7929 42.223 2.771 49.528 1.00 0.00 WT1 O ATOM 23108 H1 TIP3 7929 42.384 1.829 49.594 1.00 0.00 WT1 H ATOM 23109 H2 TIP3 7929 43.049 3.174 49.796 1.00 0.00 WT1 H ATOM 23110 OH2 TIP3 7930 84.567 0.943 43.292 1.00 0.00 WT1 O ATOM 23111 H1 TIP3 7930 84.061 1.336 42.581 1.00 0.00 WT1 H ATOM 23112 H2 TIP3 7930 85.214 0.393 42.851 1.00 0.00 WT1 H ATOM 23113 OH2 TIP3 7931 28.088 52.099 51.493 1.00 0.00 WT1 O ATOM 23114 H1 TIP3 7931 27.553 52.173 52.283 1.00 0.00 WT1 H ATOM 23115 H2 TIP3 7931 28.280 51.164 51.419 1.00 0.00 WT1 H ATOM 23116 OH2 TIP3 7932 28.030 53.936 -0.360 1.00 0.00 WT1 O ATOM 23117 H1 TIP3 7932 27.880 54.731 0.151 1.00 0.00 WT1 H ATOM 23118 H2 TIP3 7932 28.671 53.440 0.149 1.00 0.00 WT1 H ATOM 23119 OH2 TIP3 7933 38.205 28.510 35.326 1.00 0.00 WT1 O ATOM 23120 H1 TIP3 7933 38.722 29.025 35.945 1.00 0.00 WT1 H ATOM 23121 H2 TIP3 7933 38.321 28.956 34.487 1.00 0.00 WT1 H ATOM 23122 OH2 TIP3 7934 74.759 58.094 36.748 1.00 0.00 WT1 O ATOM 23123 H1 TIP3 7934 73.928 58.484 36.476 1.00 0.00 WT1 H ATOM 23124 H2 TIP3 7934 75.347 58.242 36.007 1.00 0.00 WT1 H ATOM 23125 OH2 TIP3 7935 82.490 47.419 53.746 1.00 0.00 WT1 O ATOM 23126 H1 TIP3 7935 82.342 46.658 54.308 1.00 0.00 WT1 H ATOM 23127 H2 TIP3 7935 81.723 47.975 53.887 1.00 0.00 WT1 H ATOM 23128 OH2 TIP3 7936 68.506 46.531 17.150 1.00 0.00 WT1 O ATOM 23129 H1 TIP3 7936 68.375 45.583 17.179 1.00 0.00 WT1 H ATOM 23130 H2 TIP3 7936 67.758 46.861 16.653 1.00 0.00 WT1 H ATOM 23131 OH2 TIP3 7937 42.038 79.016 33.728 1.00 0.00 WT1 O ATOM 23132 H1 TIP3 7937 41.983 79.125 32.779 1.00 0.00 WT1 H ATOM 23133 H2 TIP3 7937 41.583 78.192 33.902 1.00 0.00 WT1 H ATOM 23134 OH2 TIP3 7938 51.661 88.377 -3.886 1.00 0.00 WT1 O ATOM 23135 H1 TIP3 7938 51.532 87.455 -4.107 1.00 0.00 WT1 H ATOM 23136 H2 TIP3 7938 51.898 88.792 -4.715 1.00 0.00 WT1 H ATOM 23137 OH2 TIP3 7939 23.634 79.380 27.619 1.00 0.00 WT1 O ATOM 23138 H1 TIP3 7939 23.442 79.221 26.694 1.00 0.00 WT1 H ATOM 23139 H2 TIP3 7939 23.006 78.835 28.092 1.00 0.00 WT1 H ATOM 23140 OH2 TIP3 7940 82.988 39.176 1.480 1.00 0.00 WT1 O ATOM 23141 H1 TIP3 7940 83.442 39.479 0.694 1.00 0.00 WT1 H ATOM 23142 H2 TIP3 7940 82.753 38.269 1.287 1.00 0.00 WT1 H ATOM 23143 OH2 TIP3 7941 53.791 7.440 1.428 1.00 0.00 WT1 O ATOM 23144 H1 TIP3 7941 54.546 8.015 1.549 1.00 0.00 WT1 H ATOM 23145 H2 TIP3 7941 53.558 7.160 2.314 1.00 0.00 WT1 H ATOM 23146 OH2 TIP3 7942 40.746 16.455 -1.485 1.00 0.00 WT1 O ATOM 23147 H1 TIP3 7942 41.619 16.774 -1.255 1.00 0.00 WT1 H ATOM 23148 H2 TIP3 7942 40.901 15.598 -1.881 1.00 0.00 WT1 H ATOM 23149 OH2 TIP3 7943 22.053 24.318 2.366 1.00 0.00 WT1 O ATOM 23150 H1 TIP3 7943 22.806 24.894 2.501 1.00 0.00 WT1 H ATOM 23151 H2 TIP3 7943 22.047 23.747 3.135 1.00 0.00 WT1 H ATOM 23152 OH2 TIP3 7944 48.262 73.856 60.244 1.00 0.00 WT1 O ATOM 23153 H1 TIP3 7944 48.511 72.963 60.006 1.00 0.00 WT1 H ATOM 23154 H2 TIP3 7944 47.667 74.133 59.548 1.00 0.00 WT1 H ATOM 23155 OH2 TIP3 7945 44.956 87.926 -3.618 1.00 0.00 WT1 O ATOM 23156 H1 TIP3 7945 44.953 88.098 -2.677 1.00 0.00 WT1 H ATOM 23157 H2 TIP3 7945 45.474 88.639 -3.991 1.00 0.00 WT1 H ATOM 23158 OH2 TIP3 7946 37.048 66.264 -3.292 1.00 0.00 WT1 O ATOM 23159 H1 TIP3 7946 36.451 66.920 -3.652 1.00 0.00 WT1 H ATOM 23160 H2 TIP3 7946 37.739 66.181 -3.948 1.00 0.00 WT1 H ATOM 23161 OH2 TIP3 7947 30.087 6.655 -11.728 1.00 0.00 WT1 O ATOM 23162 H1 TIP3 7947 30.760 6.010 -11.510 1.00 0.00 WT1 H ATOM 23163 H2 TIP3 7947 30.577 7.426 -12.014 1.00 0.00 WT1 H ATOM 23164 OH2 TIP3 7948 37.410 21.713 17.582 1.00 0.00 WT1 O ATOM 23165 H1 TIP3 7948 38.147 22.126 18.033 1.00 0.00 WT1 H ATOM 23166 H2 TIP3 7948 37.812 21.222 16.865 1.00 0.00 WT1 H ATOM 23167 OH2 TIP3 7949 43.725 63.040 57.192 1.00 0.00 WT1 O ATOM 23168 H1 TIP3 7949 44.681 63.084 57.162 1.00 0.00 WT1 H ATOM 23169 H2 TIP3 7949 43.521 62.121 57.018 1.00 0.00 WT1 H ATOM 23170 OH2 TIP3 7950 82.499 84.257 21.932 1.00 0.00 WT1 O ATOM 23171 H1 TIP3 7950 82.078 83.459 22.252 1.00 0.00 WT1 H ATOM 23172 H2 TIP3 7950 83.079 83.958 21.231 1.00 0.00 WT1 H ATOM 23173 OH2 TIP3 7951 47.971 46.432 -8.191 1.00 0.00 WT1 O ATOM 23174 H1 TIP3 7951 48.391 46.711 -7.378 1.00 0.00 WT1 H ATOM 23175 H2 TIP3 7951 47.710 47.248 -8.619 1.00 0.00 WT1 H ATOM 23176 OH2 TIP3 7952 30.129 33.661 -2.708 1.00 0.00 WT1 O ATOM 23177 H1 TIP3 7952 30.935 33.145 -2.696 1.00 0.00 WT1 H ATOM 23178 H2 TIP3 7952 30.409 34.548 -2.481 1.00 0.00 WT1 H ATOM 23179 OH2 TIP3 7953 84.158 6.637 -19.554 1.00 0.00 WT1 O ATOM 23180 H1 TIP3 7953 83.922 6.905 -18.666 1.00 0.00 WT1 H ATOM 23181 H2 TIP3 7953 85.084 6.864 -19.636 1.00 0.00 WT1 H ATOM 23182 OH2 TIP3 7954 71.235 43.115 60.719 1.00 0.00 WT1 O ATOM 23183 H1 TIP3 7954 71.440 42.750 59.858 1.00 0.00 WT1 H ATOM 23184 H2 TIP3 7954 71.804 43.881 60.797 1.00 0.00 WT1 H ATOM 23185 OH2 TIP3 7955 73.317 1.788 2.682 1.00 0.00 WT1 O ATOM 23186 H1 TIP3 7955 73.023 1.893 3.587 1.00 0.00 WT1 H ATOM 23187 H2 TIP3 7955 73.299 2.673 2.319 1.00 0.00 WT1 H ATOM 23188 OH2 TIP3 7956 80.241 53.870 22.206 1.00 0.00 WT1 O ATOM 23189 H1 TIP3 7956 79.387 53.489 22.001 1.00 0.00 WT1 H ATOM 23190 H2 TIP3 7956 80.150 54.797 21.984 1.00 0.00 WT1 H ATOM 23191 OH2 TIP3 7957 68.878 88.326 64.481 1.00 0.00 WT1 O ATOM 23192 H1 TIP3 7957 69.242 88.581 63.633 1.00 0.00 WT1 H ATOM 23193 H2 TIP3 7957 69.562 87.791 64.884 1.00 0.00 WT1 H ATOM 23194 OH2 TIP3 7958 59.676 90.354 29.291 1.00 0.00 WT1 O ATOM 23195 H1 TIP3 7958 59.007 90.274 29.971 1.00 0.00 WT1 H ATOM 23196 H2 TIP3 7958 60.503 90.398 29.772 1.00 0.00 WT1 H ATOM 23197 OH2 TIP3 7959 74.044 18.309 8.852 1.00 0.00 WT1 O ATOM 23198 H1 TIP3 7959 74.459 17.567 9.290 1.00 0.00 WT1 H ATOM 23199 H2 TIP3 7959 73.676 18.833 9.563 1.00 0.00 WT1 H ATOM 23200 OH2 TIP3 7960 69.096 21.592 32.556 1.00 0.00 WT1 O ATOM 23201 H1 TIP3 7960 68.627 22.139 31.926 1.00 0.00 WT1 H ATOM 23202 H2 TIP3 7960 69.812 21.206 32.052 1.00 0.00 WT1 H ATOM 23203 OH2 TIP3 7962 46.885 81.465 39.287 1.00 0.00 WT1 O ATOM 23204 H1 TIP3 7962 46.074 81.012 39.515 1.00 0.00 WT1 H ATOM 23205 H2 TIP3 7962 47.118 81.122 38.424 1.00 0.00 WT1 H ATOM 23206 OH2 TIP3 7963 29.189 21.972 59.003 1.00 0.00 WT1 O ATOM 23207 H1 TIP3 7963 28.736 21.300 59.511 1.00 0.00 WT1 H ATOM 23208 H2 TIP3 7963 29.780 22.389 59.629 1.00 0.00 WT1 H ATOM 23209 OH2 TIP3 7964 72.635 95.305 3.089 1.00 0.00 WT1 O ATOM 23210 H1 TIP3 7964 72.804 96.112 2.603 1.00 0.00 WT1 H ATOM 23211 H2 TIP3 7964 72.526 95.589 3.996 1.00 0.00 WT1 H ATOM 23212 OH2 TIP3 7965 67.344 30.748 15.203 1.00 0.00 WT1 O ATOM 23213 H1 TIP3 7965 67.353 31.245 14.385 1.00 0.00 WT1 H ATOM 23214 H2 TIP3 7965 66.642 31.147 15.718 1.00 0.00 WT1 H ATOM 23215 OH2 TIP3 7966 81.024 30.789 36.582 1.00 0.00 WT1 O ATOM 23216 H1 TIP3 7966 81.871 30.974 36.990 1.00 0.00 WT1 H ATOM 23217 H2 TIP3 7966 81.232 30.213 35.847 1.00 0.00 WT1 H ATOM 23218 OH2 TIP3 7967 82.770 29.467 -5.462 1.00 0.00 WT1 O ATOM 23219 H1 TIP3 7967 83.386 29.082 -4.839 1.00 0.00 WT1 H ATOM 23220 H2 TIP3 7967 82.876 30.412 -5.351 1.00 0.00 WT1 H ATOM 23221 OH2 TIP3 7968 29.395 20.710 9.087 1.00 0.00 WT1 O ATOM 23222 H1 TIP3 7968 29.888 20.944 8.300 1.00 0.00 WT1 H ATOM 23223 H2 TIP3 7968 29.700 21.327 9.753 1.00 0.00 WT1 H ATOM 23224 OH2 TIP3 7969 37.397 27.154 -15.520 1.00 0.00 WT1 O ATOM 23225 H1 TIP3 7969 36.909 27.284 -14.707 1.00 0.00 WT1 H ATOM 23226 H2 TIP3 7969 36.727 26.949 -16.172 1.00 0.00 WT1 H ATOM 23227 OH2 TIP3 7970 42.532 12.847 63.474 1.00 0.00 WT1 O ATOM 23228 H1 TIP3 7970 42.280 13.760 63.610 1.00 0.00 WT1 H ATOM 23229 H2 TIP3 7970 42.796 12.805 62.555 1.00 0.00 WT1 H ATOM 23230 OH2 TIP3 7971 89.676 94.165 -19.883 1.00 0.00 WT1 O ATOM 23231 H1 TIP3 7971 89.643 95.109 -19.727 1.00 0.00 WT1 H ATOM 23232 H2 TIP3 7971 90.500 93.885 -19.485 1.00 0.00 WT1 H ATOM 23233 OH2 TIP3 7972 27.849 33.257 2.184 1.00 0.00 WT1 O ATOM 23234 H1 TIP3 7972 27.908 33.007 1.262 1.00 0.00 WT1 H ATOM 23235 H2 TIP3 7972 28.397 34.039 2.255 1.00 0.00 WT1 H ATOM 23236 OH2 TIP3 7973 52.908 88.311 36.199 1.00 0.00 WT1 O ATOM 23237 H1 TIP3 7973 52.928 87.537 35.636 1.00 0.00 WT1 H ATOM 23238 H2 TIP3 7973 52.108 88.212 36.714 1.00 0.00 WT1 H ATOM 23239 OH2 TIP3 7974 86.203 41.028 39.606 1.00 0.00 WT1 O ATOM 23240 H1 TIP3 7974 86.257 41.899 39.213 1.00 0.00 WT1 H ATOM 23241 H2 TIP3 7974 85.484 41.092 40.235 1.00 0.00 WT1 H ATOM 23242 OH2 TIP3 7975 45.043 1.372 34.231 1.00 0.00 WT1 O ATOM 23243 H1 TIP3 7975 45.383 1.669 33.387 1.00 0.00 WT1 H ATOM 23244 H2 TIP3 7975 45.810 1.028 34.691 1.00 0.00 WT1 H ATOM 23245 OH2 TIP3 7976 39.442 23.563 64.638 1.00 0.00 WT1 O ATOM 23246 H1 TIP3 7976 39.694 23.846 65.517 1.00 0.00 WT1 H ATOM 23247 H2 TIP3 7976 39.177 22.650 64.747 1.00 0.00 WT1 H ATOM 23248 OH2 TIP3 7977 75.231 79.376 -0.576 1.00 0.00 WT1 O ATOM 23249 H1 TIP3 7977 76.077 79.122 -0.207 1.00 0.00 WT1 H ATOM 23250 H2 TIP3 7977 74.800 78.547 -0.782 1.00 0.00 WT1 H ATOM 23251 OH2 TIP3 7978 68.298 82.718 48.119 1.00 0.00 WT1 O ATOM 23252 H1 TIP3 7978 67.573 83.177 48.543 1.00 0.00 WT1 H ATOM 23253 H2 TIP3 7978 68.552 82.040 48.745 1.00 0.00 WT1 H ATOM 23254 OH2 TIP3 7979 33.941 53.107 36.124 1.00 0.00 WT1 O ATOM 23255 H1 TIP3 7979 33.157 53.557 35.809 1.00 0.00 WT1 H ATOM 23256 H2 TIP3 7979 33.658 52.205 36.272 1.00 0.00 WT1 H ATOM 23257 OH2 TIP3 7980 74.613 72.365 20.545 1.00 0.00 WT1 O ATOM 23258 H1 TIP3 7980 74.816 73.177 21.009 1.00 0.00 WT1 H ATOM 23259 H2 TIP3 7980 75.183 72.377 19.777 1.00 0.00 WT1 H ATOM 23260 OH2 TIP3 7981 45.836 7.546 24.960 1.00 0.00 WT1 O ATOM 23261 H1 TIP3 7981 46.324 6.844 25.390 1.00 0.00 WT1 H ATOM 23262 H2 TIP3 7981 45.963 8.308 25.526 1.00 0.00 WT1 H ATOM 23263 OH2 TIP3 7982 27.740 1.517 -13.050 1.00 0.00 WT1 O ATOM 23264 H1 TIP3 7982 28.297 1.202 -13.762 1.00 0.00 WT1 H ATOM 23265 H2 TIP3 7982 28.033 2.415 -12.895 1.00 0.00 WT1 H ATOM 23266 OH2 TIP3 7983 61.574 1.507 -16.645 1.00 0.00 WT1 O ATOM 23267 H1 TIP3 7983 60.725 1.915 -16.476 1.00 0.00 WT1 H ATOM 23268 H2 TIP3 7983 62.206 2.078 -16.207 1.00 0.00 WT1 H ATOM 23269 OH2 TIP3 7984 22.928 93.220 5.883 1.00 0.00 WT1 O ATOM 23270 H1 TIP3 7984 22.598 92.459 6.361 1.00 0.00 WT1 H ATOM 23271 H2 TIP3 7984 22.187 93.510 5.353 1.00 0.00 WT1 H ATOM 23272 OH2 TIP3 7985 35.442 80.532 -1.164 1.00 0.00 WT1 O ATOM 23273 H1 TIP3 7985 35.609 79.590 -1.118 1.00 0.00 WT1 H ATOM 23274 H2 TIP3 7985 34.577 80.641 -0.769 1.00 0.00 WT1 H ATOM 23275 OH2 TIP3 7986 75.436 10.881 -6.783 1.00 0.00 WT1 O ATOM 23276 H1 TIP3 7986 75.414 11.347 -7.619 1.00 0.00 WT1 H ATOM 23277 H2 TIP3 7986 76.142 10.243 -6.882 1.00 0.00 WT1 H ATOM 23278 OH2 TIP3 7987 71.296 90.334 63.516 1.00 0.00 WT1 O ATOM 23279 H1 TIP3 7987 72.139 90.748 63.702 1.00 0.00 WT1 H ATOM 23280 H2 TIP3 7987 71.335 89.494 63.973 1.00 0.00 WT1 H ATOM 23281 OH2 TIP3 7988 38.841 34.045 6.578 1.00 0.00 WT1 O ATOM 23282 H1 TIP3 7988 39.072 34.210 7.492 1.00 0.00 WT1 H ATOM 23283 H2 TIP3 7988 39.661 34.159 6.098 1.00 0.00 WT1 H ATOM 23284 OH2 TIP3 7989 39.247 20.401 -16.618 1.00 0.00 WT1 O ATOM 23285 H1 TIP3 7989 39.395 19.608 -16.103 1.00 0.00 WT1 H ATOM 23286 H2 TIP3 7989 38.850 21.017 -16.002 1.00 0.00 WT1 H ATOM 23287 OH2 TIP3 7990 21.675 66.400 25.167 1.00 0.00 WT1 O ATOM 23288 H1 TIP3 7990 21.572 65.807 25.911 1.00 0.00 WT1 H ATOM 23289 H2 TIP3 7990 20.824 66.387 24.729 1.00 0.00 WT1 H ATOM 23290 OH2 TIP3 7991 36.881 84.825 9.439 1.00 0.00 WT1 O ATOM 23291 H1 TIP3 7991 36.062 84.385 9.666 1.00 0.00 WT1 H ATOM 23292 H2 TIP3 7991 36.614 85.702 9.162 1.00 0.00 WT1 H ATOM 23293 OH2 TIP3 7992 39.307 76.959 61.735 1.00 0.00 WT1 O ATOM 23294 H1 TIP3 7992 39.655 77.213 60.880 1.00 0.00 WT1 H ATOM 23295 H2 TIP3 7992 38.364 77.112 61.665 1.00 0.00 WT1 H ATOM 23296 OH2 TIP3 7993 66.077 54.124 4.203 1.00 0.00 WT1 O ATOM 23297 H1 TIP3 7993 66.805 54.433 3.663 1.00 0.00 WT1 H ATOM 23298 H2 TIP3 7993 66.447 54.044 5.082 1.00 0.00 WT1 H ATOM 23299 OH2 TIP3 7994 28.397 65.127 23.082 1.00 0.00 WT1 O ATOM 23300 H1 TIP3 7994 27.982 64.320 23.384 1.00 0.00 WT1 H ATOM 23301 H2 TIP3 7994 29.332 64.922 23.056 1.00 0.00 WT1 H ATOM 23302 OH2 TIP3 7995 65.877 38.664 64.169 1.00 0.00 WT1 O ATOM 23303 H1 TIP3 7995 66.649 38.746 64.729 1.00 0.00 WT1 H ATOM 23304 H2 TIP3 7995 65.143 38.603 64.780 1.00 0.00 WT1 H ATOM 23305 OH2 TIP3 7996 34.483 92.352 24.033 1.00 0.00 WT1 O ATOM 23306 H1 TIP3 7996 33.546 92.504 23.911 1.00 0.00 WT1 H ATOM 23307 H2 TIP3 7996 34.677 92.726 24.893 1.00 0.00 WT1 H ATOM 23308 OH2 TIP3 7997 48.267 38.268 38.002 1.00 0.00 WT1 O ATOM 23309 H1 TIP3 7997 48.140 38.010 37.089 1.00 0.00 WT1 H ATOM 23310 H2 TIP3 7997 48.569 39.175 37.955 1.00 0.00 WT1 H ATOM 23311 OH2 TIP3 7999 59.601 95.776 15.361 1.00 0.00 WT1 O ATOM 23312 H1 TIP3 7999 59.930 95.103 15.958 1.00 0.00 WT1 H ATOM 23313 H2 TIP3 7999 59.834 95.458 14.489 1.00 0.00 WT1 H ATOM 23314 OH2 TIP3 8000 29.666 75.699 59.921 1.00 0.00 WT1 O ATOM 23315 H1 TIP3 8000 28.866 75.757 60.444 1.00 0.00 WT1 H ATOM 23316 H2 TIP3 8000 30.375 75.806 60.555 1.00 0.00 WT1 H ATOM 23317 OH2 TIP3 8001 32.123 69.167 31.262 1.00 0.00 WT1 O ATOM 23318 H1 TIP3 8001 32.730 69.541 31.900 1.00 0.00 WT1 H ATOM 23319 H2 TIP3 8001 32.358 69.585 30.433 1.00 0.00 WT1 H ATOM 23320 OH2 TIP3 8002 24.013 17.657 -18.429 1.00 0.00 WT1 O ATOM 23321 H1 TIP3 8002 23.539 17.522 -19.249 1.00 0.00 WT1 H ATOM 23322 H2 TIP3 8002 23.843 18.571 -18.200 1.00 0.00 WT1 H ATOM 23323 OH2 TIP3 8003 89.586 34.672 3.173 1.00 0.00 WT1 O ATOM 23324 H1 TIP3 8003 89.303 33.814 3.488 1.00 0.00 WT1 H ATOM 23325 H2 TIP3 8003 90.417 34.830 3.620 1.00 0.00 WT1 H ATOM 23326 OH2 TIP3 8004 57.124 12.839 0.129 1.00 0.00 WT1 O ATOM 23327 H1 TIP3 8004 57.237 13.774 0.297 1.00 0.00 WT1 H ATOM 23328 H2 TIP3 8004 57.779 12.414 0.683 1.00 0.00 WT1 H ATOM 23329 OH2 TIP3 8005 52.353 9.933 57.290 1.00 0.00 WT1 O ATOM 23330 H1 TIP3 8005 51.488 10.157 57.633 1.00 0.00 WT1 H ATOM 23331 H2 TIP3 8005 52.331 10.219 56.376 1.00 0.00 WT1 H ATOM 23332 OH2 TIP3 8006 47.467 16.978 16.351 1.00 0.00 WT1 O ATOM 23333 H1 TIP3 8006 46.625 16.881 15.906 1.00 0.00 WT1 H ATOM 23334 H2 TIP3 8006 47.770 17.852 16.103 1.00 0.00 WT1 H ATOM 23335 OH2 TIP3 8007 22.340 75.346 15.583 1.00 0.00 WT1 O ATOM 23336 H1 TIP3 8007 22.539 75.240 16.514 1.00 0.00 WT1 H ATOM 23337 H2 TIP3 8007 22.767 74.601 15.160 1.00 0.00 WT1 H ATOM 23338 OH2 TIP3 8008 30.405 55.370 44.668 1.00 0.00 WT1 O ATOM 23339 H1 TIP3 8008 30.950 54.716 44.231 1.00 0.00 WT1 H ATOM 23340 H2 TIP3 8008 29.796 54.858 45.201 1.00 0.00 WT1 H ATOM 23341 OH2 TIP3 8010 46.605 72.704 29.713 1.00 0.00 WT1 O ATOM 23342 H1 TIP3 8010 47.097 72.042 29.226 1.00 0.00 WT1 H ATOM 23343 H2 TIP3 8010 46.704 72.450 30.630 1.00 0.00 WT1 H ATOM 23344 OH2 TIP3 8011 85.394 45.875 14.922 1.00 0.00 WT1 O ATOM 23345 H1 TIP3 8011 84.937 45.658 14.109 1.00 0.00 WT1 H ATOM 23346 H2 TIP3 8011 84.695 46.078 15.544 1.00 0.00 WT1 H ATOM 23347 OH2 TIP3 8012 27.210 6.188 -2.257 1.00 0.00 WT1 O ATOM 23348 H1 TIP3 8012 27.302 5.311 -1.883 1.00 0.00 WT1 H ATOM 23349 H2 TIP3 8012 27.870 6.224 -2.949 1.00 0.00 WT1 H ATOM 23350 OH2 TIP3 8013 28.790 90.506 28.153 1.00 0.00 WT1 O ATOM 23351 H1 TIP3 8013 29.591 91.027 28.099 1.00 0.00 WT1 H ATOM 23352 H2 TIP3 8013 28.083 91.150 28.123 1.00 0.00 WT1 H ATOM 23353 OH2 TIP3 8014 61.122 42.218 6.740 1.00 0.00 WT1 O ATOM 23354 H1 TIP3 8014 61.720 42.961 6.823 1.00 0.00 WT1 H ATOM 23355 H2 TIP3 8014 61.343 41.649 7.477 1.00 0.00 WT1 H ATOM 23356 OH2 TIP3 8015 44.630 21.907 -1.947 1.00 0.00 WT1 O ATOM 23357 H1 TIP3 8015 44.858 21.018 -2.219 1.00 0.00 WT1 H ATOM 23358 H2 TIP3 8015 44.147 21.791 -1.128 1.00 0.00 WT1 H ATOM 23359 OH2 TIP3 8016 90.034 31.951 35.172 1.00 0.00 WT1 O ATOM 23360 H1 TIP3 8016 90.747 32.486 35.520 1.00 0.00 WT1 H ATOM 23361 H2 TIP3 8016 90.469 31.303 34.617 1.00 0.00 WT1 H ATOM 23362 OH2 TIP3 8017 38.477 58.523 -5.338 1.00 0.00 WT1 O ATOM 23363 H1 TIP3 8017 38.348 59.080 -4.570 1.00 0.00 WT1 H ATOM 23364 H2 TIP3 8017 37.680 57.995 -5.388 1.00 0.00 WT1 H ATOM 23365 OH2 TIP3 8018 62.341 28.131 -2.620 1.00 0.00 WT1 O ATOM 23366 H1 TIP3 8018 61.707 27.566 -2.178 1.00 0.00 WT1 H ATOM 23367 H2 TIP3 8018 62.924 28.429 -1.922 1.00 0.00 WT1 H ATOM 23368 OH2 TIP3 8019 46.580 71.190 -4.118 1.00 0.00 WT1 O ATOM 23369 H1 TIP3 8019 45.664 71.176 -3.840 1.00 0.00 WT1 H ATOM 23370 H2 TIP3 8019 47.038 70.668 -3.459 1.00 0.00 WT1 H ATOM 23371 OH2 TIP3 8020 59.253 69.050 62.176 1.00 0.00 WT1 O ATOM 23372 H1 TIP3 8020 59.477 69.498 62.992 1.00 0.00 WT1 H ATOM 23373 H2 TIP3 8020 60.082 68.685 61.867 1.00 0.00 WT1 H ATOM 23374 OH2 TIP3 8021 60.775 62.308 62.558 1.00 0.00 WT1 O ATOM 23375 H1 TIP3 8021 60.830 63.061 61.969 1.00 0.00 WT1 H ATOM 23376 H2 TIP3 8021 60.347 62.648 63.343 1.00 0.00 WT1 H ATOM 23377 OH2 TIP3 8022 80.619 31.870 -14.006 1.00 0.00 WT1 O ATOM 23378 H1 TIP3 8022 79.770 32.073 -14.399 1.00 0.00 WT1 H ATOM 23379 H2 TIP3 8022 80.917 31.088 -14.471 1.00 0.00 WT1 H ATOM 23380 OH2 TIP3 8023 74.605 41.083 -6.267 1.00 0.00 WT1 O ATOM 23381 H1 TIP3 8023 73.944 41.687 -5.930 1.00 0.00 WT1 H ATOM 23382 H2 TIP3 8023 74.115 40.293 -6.495 1.00 0.00 WT1 H ATOM 23383 OH2 TIP3 8024 75.532 48.196 49.191 1.00 0.00 WT1 O ATOM 23384 H1 TIP3 8024 75.454 49.107 48.909 1.00 0.00 WT1 H ATOM 23385 H2 TIP3 8024 74.872 47.729 48.679 1.00 0.00 WT1 H ATOM 23386 OH2 TIP3 8025 55.668 18.290 24.279 1.00 0.00 WT1 O ATOM 23387 H1 TIP3 8025 55.768 19.007 23.652 1.00 0.00 WT1 H ATOM 23388 H2 TIP3 8025 54.761 18.004 24.174 1.00 0.00 WT1 H ATOM 23389 OH2 TIP3 8026 32.706 20.618 28.152 1.00 0.00 WT1 O ATOM 23390 H1 TIP3 8026 32.997 19.969 27.512 1.00 0.00 WT1 H ATOM 23391 H2 TIP3 8026 33.515 20.998 28.494 1.00 0.00 WT1 H ATOM 23392 OH2 TIP3 8027 88.156 6.165 -0.469 1.00 0.00 WT1 O ATOM 23393 H1 TIP3 8027 88.063 6.107 0.482 1.00 0.00 WT1 H ATOM 23394 H2 TIP3 8027 89.100 6.116 -0.621 1.00 0.00 WT1 H ATOM 23395 OH2 TIP3 8028 76.157 87.233 58.248 1.00 0.00 WT1 O ATOM 23396 H1 TIP3 8028 76.706 86.498 58.520 1.00 0.00 WT1 H ATOM 23397 H2 TIP3 8028 75.354 86.825 57.923 1.00 0.00 WT1 H ATOM 23398 OH2 TIP3 8029 49.686 72.762 -6.681 1.00 0.00 WT1 O ATOM 23399 H1 TIP3 8029 50.027 73.445 -6.103 1.00 0.00 WT1 H ATOM 23400 H2 TIP3 8029 50.378 72.627 -7.329 1.00 0.00 WT1 H ATOM 23401 OH2 TIP3 8030 59.334 70.178 57.493 1.00 0.00 WT1 O ATOM 23402 H1 TIP3 8030 60.258 70.428 57.490 1.00 0.00 WT1 H ATOM 23403 H2 TIP3 8030 59.286 69.432 56.895 1.00 0.00 WT1 H ATOM 23404 OH2 TIP3 8032 48.732 19.115 20.205 1.00 0.00 WT1 O ATOM 23405 H1 TIP3 8032 48.488 19.113 21.130 1.00 0.00 WT1 H ATOM 23406 H2 TIP3 8032 49.659 19.354 20.201 1.00 0.00 WT1 H ATOM 23407 OH2 TIP3 8033 66.896 50.929 37.487 1.00 0.00 WT1 O ATOM 23408 H1 TIP3 8033 67.216 51.569 36.850 1.00 0.00 WT1 H ATOM 23409 H2 TIP3 8033 65.949 50.906 37.349 1.00 0.00 WT1 H ATOM 23410 OH2 TIP3 8034 38.450 44.431 28.770 1.00 0.00 WT1 O ATOM 23411 H1 TIP3 8034 39.406 44.437 28.726 1.00 0.00 WT1 H ATOM 23412 H2 TIP3 8034 38.253 44.413 29.707 1.00 0.00 WT1 H ATOM 23413 OH2 TIP3 8035 32.461 2.237 47.177 1.00 0.00 WT1 O ATOM 23414 H1 TIP3 8035 32.982 2.880 47.657 1.00 0.00 WT1 H ATOM 23415 H2 TIP3 8035 32.857 1.394 47.397 1.00 0.00 WT1 H ATOM 23416 OH2 TIP3 8036 82.176 22.717 66.011 1.00 0.00 WT1 O ATOM 23417 H1 TIP3 8036 83.089 22.523 65.798 1.00 0.00 WT1 H ATOM 23418 H2 TIP3 8036 82.188 23.627 66.309 1.00 0.00 WT1 H ATOM 23419 OH2 TIP3 8037 59.657 31.866 14.036 1.00 0.00 WT1 O ATOM 23420 H1 TIP3 8037 58.913 32.396 13.749 1.00 0.00 WT1 H ATOM 23421 H2 TIP3 8037 59.484 30.995 13.679 1.00 0.00 WT1 H ATOM 23422 OH2 TIP3 8038 53.599 75.450 38.262 1.00 0.00 WT1 O ATOM 23423 H1 TIP3 8038 52.956 74.744 38.213 1.00 0.00 WT1 H ATOM 23424 H2 TIP3 8038 53.415 75.996 37.498 1.00 0.00 WT1 H ATOM 23425 OH2 TIP3 8039 33.414 87.483 13.654 1.00 0.00 WT1 O ATOM 23426 H1 TIP3 8039 34.169 88.011 13.915 1.00 0.00 WT1 H ATOM 23427 H2 TIP3 8039 33.796 86.709 13.239 1.00 0.00 WT1 H ATOM 23428 OH2 TIP3 8040 36.067 69.669 16.077 1.00 0.00 WT1 O ATOM 23429 H1 TIP3 8040 36.641 69.616 16.841 1.00 0.00 WT1 H ATOM 23430 H2 TIP3 8040 36.413 69.013 15.472 1.00 0.00 WT1 H ATOM 23431 OH2 TIP3 8041 47.406 43.462 35.369 1.00 0.00 WT1 O ATOM 23432 H1 TIP3 8041 46.857 43.380 36.149 1.00 0.00 WT1 H ATOM 23433 H2 TIP3 8041 46.790 43.425 34.638 1.00 0.00 WT1 H ATOM 23434 OH2 TIP3 8042 30.705 38.253 -0.768 1.00 0.00 WT1 O ATOM 23435 H1 TIP3 8042 30.075 38.754 -0.249 1.00 0.00 WT1 H ATOM 23436 H2 TIP3 8042 31.474 38.820 -0.824 1.00 0.00 WT1 H ATOM 23437 OH2 TIP3 8043 57.941 25.011 31.143 1.00 0.00 WT1 O ATOM 23438 H1 TIP3 8043 57.315 24.629 30.528 1.00 0.00 WT1 H ATOM 23439 H2 TIP3 8043 58.392 25.687 30.637 1.00 0.00 WT1 H ATOM 23440 OH2 TIP3 8044 87.869 35.844 67.145 1.00 0.00 WT1 O ATOM 23441 H1 TIP3 8044 87.910 36.798 67.210 1.00 0.00 WT1 H ATOM 23442 H2 TIP3 8044 88.384 35.634 66.366 1.00 0.00 WT1 H ATOM 23443 OH2 TIP3 8045 87.833 28.300 -15.674 1.00 0.00 WT1 O ATOM 23444 H1 TIP3 8045 87.534 28.941 -15.029 1.00 0.00 WT1 H ATOM 23445 H2 TIP3 8045 88.010 27.510 -15.163 1.00 0.00 WT1 H ATOM 23446 OH2 TIP3 8046 63.778 5.767 30.048 1.00 0.00 WT1 O ATOM 23447 H1 TIP3 8046 64.207 5.300 29.331 1.00 0.00 WT1 H ATOM 23448 H2 TIP3 8046 63.172 6.368 29.614 1.00 0.00 WT1 H ATOM 23449 OH2 TIP3 8047 58.362 88.314 67.237 1.00 0.00 WT1 O ATOM 23450 H1 TIP3 8047 59.033 87.680 67.492 1.00 0.00 WT1 H ATOM 23451 H2 TIP3 8047 58.125 88.066 66.343 1.00 0.00 WT1 H ATOM 23452 OH2 TIP3 8049 65.313 80.499 40.687 1.00 0.00 WT1 O ATOM 23453 H1 TIP3 8049 65.641 79.849 40.065 1.00 0.00 WT1 H ATOM 23454 H2 TIP3 8049 66.054 80.669 41.269 1.00 0.00 WT1 H ATOM 23455 OH2 TIP3 8050 66.951 25.626 -8.047 1.00 0.00 WT1 O ATOM 23456 H1 TIP3 8050 66.324 25.275 -8.679 1.00 0.00 WT1 H ATOM 23457 H2 TIP3 8050 66.529 25.504 -7.197 1.00 0.00 WT1 H ATOM 23458 OH2 TIP3 8051 80.010 66.614 29.665 1.00 0.00 WT1 O ATOM 23459 H1 TIP3 8051 79.145 66.218 29.772 1.00 0.00 WT1 H ATOM 23460 H2 TIP3 8051 79.870 67.545 29.835 1.00 0.00 WT1 H ATOM 23461 OH2 TIP3 8052 32.912 71.074 -12.360 1.00 0.00 WT1 O ATOM 23462 H1 TIP3 8052 33.688 71.614 -12.512 1.00 0.00 WT1 H ATOM 23463 H2 TIP3 8052 32.984 70.365 -12.999 1.00 0.00 WT1 H ATOM 23464 OH2 TIP3 8053 79.131 47.200 23.775 1.00 0.00 WT1 O ATOM 23465 H1 TIP3 8053 79.158 47.623 24.633 1.00 0.00 WT1 H ATOM 23466 H2 TIP3 8053 78.751 46.338 23.946 1.00 0.00 WT1 H ATOM 23467 OH2 TIP3 8054 80.646 83.792 35.470 1.00 0.00 WT1 O ATOM 23468 H1 TIP3 8054 80.098 83.218 34.935 1.00 0.00 WT1 H ATOM 23469 H2 TIP3 8054 80.054 84.131 36.141 1.00 0.00 WT1 H ATOM 23470 OH2 TIP3 8055 42.675 82.635 28.603 1.00 0.00 WT1 O ATOM 23471 H1 TIP3 8055 42.146 82.362 27.854 1.00 0.00 WT1 H ATOM 23472 H2 TIP3 8055 43.525 82.217 28.462 1.00 0.00 WT1 H ATOM 23473 OH2 TIP3 8056 35.977 44.655 27.624 1.00 0.00 WT1 O ATOM 23474 H1 TIP3 8056 35.841 43.783 27.253 1.00 0.00 WT1 H ATOM 23475 H2 TIP3 8056 36.883 44.644 27.933 1.00 0.00 WT1 H ATOM 23476 OH2 TIP3 8057 78.560 47.807 67.033 1.00 0.00 WT1 O ATOM 23477 H1 TIP3 8057 78.141 48.109 67.840 1.00 0.00 WT1 H ATOM 23478 H2 TIP3 8057 77.846 47.752 66.398 1.00 0.00 WT1 H ATOM 23479 OH2 TIP3 8058 27.391 65.317 15.317 1.00 0.00 WT1 O ATOM 23480 H1 TIP3 8058 27.034 64.497 15.657 1.00 0.00 WT1 H ATOM 23481 H2 TIP3 8058 27.752 65.759 16.085 1.00 0.00 WT1 H ATOM 23482 OH2 TIP3 8059 55.601 6.180 63.520 1.00 0.00 WT1 O ATOM 23483 H1 TIP3 8059 56.214 5.450 63.609 1.00 0.00 WT1 H ATOM 23484 H2 TIP3 8059 54.797 5.870 63.936 1.00 0.00 WT1 H ATOM 23485 OH2 TIP3 8060 62.745 35.162 51.763 1.00 0.00 WT1 O ATOM 23486 H1 TIP3 8060 62.991 35.817 52.417 1.00 0.00 WT1 H ATOM 23487 H2 TIP3 8060 61.824 35.342 51.578 1.00 0.00 WT1 H ATOM 23488 OH2 TIP3 8061 33.433 48.134 -13.134 1.00 0.00 WT1 O ATOM 23489 H1 TIP3 8061 33.811 48.991 -13.327 1.00 0.00 WT1 H ATOM 23490 H2 TIP3 8061 32.567 48.328 -12.776 1.00 0.00 WT1 H ATOM 23491 OH2 TIP3 8062 50.757 87.605 21.893 1.00 0.00 WT1 O ATOM 23492 H1 TIP3 8062 49.950 88.031 22.183 1.00 0.00 WT1 H ATOM 23493 H2 TIP3 8062 50.582 86.669 21.991 1.00 0.00 WT1 H ATOM 23494 OH2 TIP3 8063 63.272 76.981 40.810 1.00 0.00 WT1 O ATOM 23495 H1 TIP3 8063 63.464 76.089 40.522 1.00 0.00 WT1 H ATOM 23496 H2 TIP3 8063 63.154 77.476 39.999 1.00 0.00 WT1 H ATOM 23497 OH2 TIP3 8064 59.068 72.086 -13.868 1.00 0.00 WT1 O ATOM 23498 H1 TIP3 8064 59.003 72.523 -13.018 1.00 0.00 WT1 H ATOM 23499 H2 TIP3 8064 58.788 71.187 -13.697 1.00 0.00 WT1 H ATOM 23500 OH2 TIP3 8065 51.817 33.201 -2.678 1.00 0.00 WT1 O ATOM 23501 H1 TIP3 8065 51.508 33.983 -3.136 1.00 0.00 WT1 H ATOM 23502 H2 TIP3 8065 52.529 33.516 -2.120 1.00 0.00 WT1 H ATOM 23503 OH2 TIP3 8066 33.493 36.051 32.736 1.00 0.00 WT1 O ATOM 23504 H1 TIP3 8066 32.871 35.709 32.094 1.00 0.00 WT1 H ATOM 23505 H2 TIP3 8066 33.763 36.898 32.380 1.00 0.00 WT1 H ATOM 23506 OH2 TIP3 8067 74.590 41.129 7.239 1.00 0.00 WT1 O ATOM 23507 H1 TIP3 8067 74.204 41.936 7.578 1.00 0.00 WT1 H ATOM 23508 H2 TIP3 8067 75.523 41.206 7.439 1.00 0.00 WT1 H ATOM 23509 OH2 TIP3 8068 32.352 60.505 22.864 1.00 0.00 WT1 O ATOM 23510 H1 TIP3 8068 32.259 61.201 22.213 1.00 0.00 WT1 H ATOM 23511 H2 TIP3 8068 32.791 60.926 23.604 1.00 0.00 WT1 H ATOM 23512 OH2 TIP3 8069 72.715 20.913 9.925 1.00 0.00 WT1 O ATOM 23513 H1 TIP3 8069 72.725 21.811 9.593 1.00 0.00 WT1 H ATOM 23514 H2 TIP3 8069 72.182 20.430 9.292 1.00 0.00 WT1 H ATOM 23515 OH2 TIP3 8070 54.880 23.354 -14.356 1.00 0.00 WT1 O ATOM 23516 H1 TIP3 8070 54.962 24.266 -14.080 1.00 0.00 WT1 H ATOM 23517 H2 TIP3 8070 54.871 23.393 -15.313 1.00 0.00 WT1 H ATOM 23518 OH2 TIP3 8071 28.519 36.400 -17.917 1.00 0.00 WT1 O ATOM 23519 H1 TIP3 8071 29.271 35.808 -17.940 1.00 0.00 WT1 H ATOM 23520 H2 TIP3 8071 27.899 35.978 -17.323 1.00 0.00 WT1 H ATOM 23521 OH2 TIP3 8072 81.415 34.125 45.010 1.00 0.00 WT1 O ATOM 23522 H1 TIP3 8072 81.561 34.685 44.247 1.00 0.00 WT1 H ATOM 23523 H2 TIP3 8072 82.200 34.241 45.546 1.00 0.00 WT1 H ATOM 23524 OH2 TIP3 8073 64.177 37.013 34.170 1.00 0.00 WT1 O ATOM 23525 H1 TIP3 8073 63.374 36.545 33.942 1.00 0.00 WT1 H ATOM 23526 H2 TIP3 8073 64.089 37.863 33.739 1.00 0.00 WT1 H ATOM 23527 OH2 TIP3 8074 57.893 53.708 56.799 1.00 0.00 WT1 O ATOM 23528 H1 TIP3 8074 57.126 53.859 57.351 1.00 0.00 WT1 H ATOM 23529 H2 TIP3 8074 57.902 54.450 56.194 1.00 0.00 WT1 H ATOM 23530 OH2 TIP3 8075 35.617 62.651 -14.562 1.00 0.00 WT1 O ATOM 23531 H1 TIP3 8075 36.257 62.215 -15.125 1.00 0.00 WT1 H ATOM 23532 H2 TIP3 8075 34.824 62.122 -14.647 1.00 0.00 WT1 H ATOM 23533 OH2 TIP3 8076 44.574 44.908 29.480 1.00 0.00 WT1 O ATOM 23534 H1 TIP3 8076 45.430 44.848 29.055 1.00 0.00 WT1 H ATOM 23535 H2 TIP3 8076 43.955 45.020 28.759 1.00 0.00 WT1 H ATOM 23536 OH2 TIP3 8077 78.355 18.059 66.743 1.00 0.00 WT1 O ATOM 23537 H1 TIP3 8077 78.152 18.967 66.518 1.00 0.00 WT1 H ATOM 23538 H2 TIP3 8077 78.294 17.587 65.912 1.00 0.00 WT1 H ATOM 23539 OH2 TIP3 8078 83.547 60.827 36.239 1.00 0.00 WT1 O ATOM 23540 H1 TIP3 8078 84.292 60.944 36.830 1.00 0.00 WT1 H ATOM 23541 H2 TIP3 8078 83.403 61.695 35.862 1.00 0.00 WT1 H ATOM 23542 OH2 TIP3 8079 68.999 81.987 7.097 1.00 0.00 WT1 O ATOM 23543 H1 TIP3 8079 68.946 81.459 6.300 1.00 0.00 WT1 H ATOM 23544 H2 TIP3 8079 68.357 81.594 7.688 1.00 0.00 WT1 H ATOM 23545 OH2 TIP3 8080 68.906 44.687 24.552 1.00 0.00 WT1 O ATOM 23546 H1 TIP3 8080 68.962 45.371 23.884 1.00 0.00 WT1 H ATOM 23547 H2 TIP3 8080 68.061 44.267 24.395 1.00 0.00 WT1 H ATOM 23548 OH2 TIP3 8081 76.384 45.334 25.390 1.00 0.00 WT1 O ATOM 23549 H1 TIP3 8081 76.438 46.076 25.992 1.00 0.00 WT1 H ATOM 23550 H2 TIP3 8081 76.107 45.719 24.558 1.00 0.00 WT1 H ATOM 23551 OH2 TIP3 8082 40.157 13.471 65.324 1.00 0.00 WT1 O ATOM 23552 H1 TIP3 8082 39.473 13.939 65.803 1.00 0.00 WT1 H ATOM 23553 H2 TIP3 8082 40.426 14.079 64.635 1.00 0.00 WT1 H ATOM 23554 OH2 TIP3 8083 75.007 82.689 32.296 1.00 0.00 WT1 O ATOM 23555 H1 TIP3 8083 75.864 82.512 31.908 1.00 0.00 WT1 H ATOM 23556 H2 TIP3 8083 75.114 82.477 33.223 1.00 0.00 WT1 H ATOM 23557 OH2 TIP3 8084 56.189 25.961 33.156 1.00 0.00 WT1 O ATOM 23558 H1 TIP3 8084 55.363 25.507 32.991 1.00 0.00 WT1 H ATOM 23559 H2 TIP3 8084 56.801 25.583 32.524 1.00 0.00 WT1 H ATOM 23560 OH2 TIP3 8085 61.950 23.915 13.887 1.00 0.00 WT1 O ATOM 23561 H1 TIP3 8085 61.972 22.963 13.981 1.00 0.00 WT1 H ATOM 23562 H2 TIP3 8085 61.121 24.176 14.288 1.00 0.00 WT1 H ATOM 23563 OH2 TIP3 8086 66.713 0.497 65.161 1.00 0.00 WT1 O ATOM 23564 H1 TIP3 8086 66.303 0.853 64.372 1.00 0.00 WT1 H ATOM 23565 H2 TIP3 8086 65.978 0.264 65.729 1.00 0.00 WT1 H ATOM 23566 OH2 TIP3 8087 69.005 44.701 40.803 1.00 0.00 WT1 O ATOM 23567 H1 TIP3 8087 69.878 44.401 40.549 1.00 0.00 WT1 H ATOM 23568 H2 TIP3 8087 69.123 45.067 41.680 1.00 0.00 WT1 H ATOM 23569 OH2 TIP3 8088 34.163 87.041 -5.493 1.00 0.00 WT1 O ATOM 23570 H1 TIP3 8088 34.127 86.092 -5.371 1.00 0.00 WT1 H ATOM 23571 H2 TIP3 8088 33.739 87.399 -4.713 1.00 0.00 WT1 H ATOM 23572 OH2 TIP3 8089 26.496 19.856 37.145 1.00 0.00 WT1 O ATOM 23573 H1 TIP3 8089 26.249 19.993 38.060 1.00 0.00 WT1 H ATOM 23574 H2 TIP3 8089 27.450 19.775 37.164 1.00 0.00 WT1 H ATOM 23575 OH2 TIP3 8090 82.567 37.103 -16.056 1.00 0.00 WT1 O ATOM 23576 H1 TIP3 8090 81.711 37.142 -16.483 1.00 0.00 WT1 H ATOM 23577 H2 TIP3 8090 82.385 37.299 -15.136 1.00 0.00 WT1 H ATOM 23578 OH2 TIP3 8091 47.753 43.530 13.114 1.00 0.00 WT1 O ATOM 23579 H1 TIP3 8091 47.055 42.894 13.273 1.00 0.00 WT1 H ATOM 23580 H2 TIP3 8091 47.402 44.358 13.442 1.00 0.00 WT1 H ATOM 23581 OH2 TIP3 8092 29.215 69.545 10.669 1.00 0.00 WT1 O ATOM 23582 H1 TIP3 8092 30.044 69.701 10.217 1.00 0.00 WT1 H ATOM 23583 H2 TIP3 8092 29.112 70.300 11.248 1.00 0.00 WT1 H ATOM 23584 OH2 TIP3 8093 62.278 5.562 26.349 1.00 0.00 WT1 O ATOM 23585 H1 TIP3 8093 61.439 5.492 26.804 1.00 0.00 WT1 H ATOM 23586 H2 TIP3 8093 62.679 4.699 26.452 1.00 0.00 WT1 H ATOM 23587 OH2 TIP3 8094 90.581 71.319 24.899 1.00 0.00 WT1 O ATOM 23588 H1 TIP3 8094 89.626 71.257 24.927 1.00 0.00 WT1 H ATOM 23589 H2 TIP3 8094 90.885 70.444 25.139 1.00 0.00 WT1 H ATOM 23590 OH2 TIP3 8095 32.753 75.372 22.237 1.00 0.00 WT1 O ATOM 23591 H1 TIP3 8095 33.524 75.337 21.671 1.00 0.00 WT1 H ATOM 23592 H2 TIP3 8095 32.049 75.681 21.666 1.00 0.00 WT1 H ATOM 23593 OH2 TIP3 8096 85.494 62.927 42.239 1.00 0.00 WT1 O ATOM 23594 H1 TIP3 8096 84.626 62.529 42.173 1.00 0.00 WT1 H ATOM 23595 H2 TIP3 8096 86.027 62.444 41.607 1.00 0.00 WT1 H ATOM 23596 OH2 TIP3 8097 46.388 95.271 59.030 1.00 0.00 WT1 O ATOM 23597 H1 TIP3 8097 46.820 95.322 58.177 1.00 0.00 WT1 H ATOM 23598 H2 TIP3 8097 46.949 95.781 59.614 1.00 0.00 WT1 H ATOM 23599 OH2 TIP3 8098 80.678 41.403 56.669 1.00 0.00 WT1 O ATOM 23600 H1 TIP3 8098 80.509 42.044 55.978 1.00 0.00 WT1 H ATOM 23601 H2 TIP3 8098 81.072 41.912 57.377 1.00 0.00 WT1 H ATOM 23602 OH2 TIP3 8099 24.435 86.096 32.176 1.00 0.00 WT1 O ATOM 23603 H1 TIP3 8099 24.190 86.361 33.062 1.00 0.00 WT1 H ATOM 23604 H2 TIP3 8099 25.202 85.536 32.297 1.00 0.00 WT1 H ATOM 23605 OH2 TIP3 8100 83.455 44.319 41.682 1.00 0.00 WT1 O ATOM 23606 H1 TIP3 8100 82.873 44.598 42.390 1.00 0.00 WT1 H ATOM 23607 H2 TIP3 8100 84.299 44.175 42.108 1.00 0.00 WT1 H ATOM 23608 OH2 TIP3 8101 49.215 37.941 -14.785 1.00 0.00 WT1 O ATOM 23609 H1 TIP3 8101 48.559 37.366 -14.391 1.00 0.00 WT1 H ATOM 23610 H2 TIP3 8101 49.642 37.399 -15.448 1.00 0.00 WT1 H ATOM 23611 OH2 TIP3 8102 66.952 17.985 -7.945 1.00 0.00 WT1 O ATOM 23612 H1 TIP3 8102 66.981 17.247 -7.335 1.00 0.00 WT1 H ATOM 23613 H2 TIP3 8102 67.596 17.766 -8.618 1.00 0.00 WT1 H ATOM 23614 OH2 TIP3 8103 63.726 67.585 -3.977 1.00 0.00 WT1 O ATOM 23615 H1 TIP3 8103 63.499 66.656 -3.951 1.00 0.00 WT1 H ATOM 23616 H2 TIP3 8103 64.585 67.634 -3.558 1.00 0.00 WT1 H ATOM 23617 OH2 TIP3 8104 73.485 81.156 30.499 1.00 0.00 WT1 O ATOM 23618 H1 TIP3 8104 73.164 80.314 30.176 1.00 0.00 WT1 H ATOM 23619 H2 TIP3 8104 73.760 80.979 31.399 1.00 0.00 WT1 H ATOM 23620 OH2 TIP3 8105 68.456 44.091 20.586 1.00 0.00 WT1 O ATOM 23621 H1 TIP3 8105 68.179 44.709 21.263 1.00 0.00 WT1 H ATOM 23622 H2 TIP3 8105 67.664 43.925 20.074 1.00 0.00 WT1 H ATOM 23623 OH2 TIP3 8106 67.517 25.075 4.400 1.00 0.00 WT1 O ATOM 23624 H1 TIP3 8106 68.237 25.704 4.447 1.00 0.00 WT1 H ATOM 23625 H2 TIP3 8106 67.534 24.627 5.246 1.00 0.00 WT1 H ATOM 23626 OH2 TIP3 8107 33.412 23.350 58.373 1.00 0.00 WT1 O ATOM 23627 H1 TIP3 8107 33.155 23.714 57.526 1.00 0.00 WT1 H ATOM 23628 H2 TIP3 8107 34.189 23.850 58.624 1.00 0.00 WT1 H ATOM 23629 OH2 TIP3 8108 34.226 39.397 53.444 1.00 0.00 WT1 O ATOM 23630 H1 TIP3 8108 34.578 39.177 52.581 1.00 0.00 WT1 H ATOM 23631 H2 TIP3 8108 34.081 40.342 53.410 1.00 0.00 WT1 H ATOM 23632 OH2 TIP3 8109 32.979 6.008 50.971 1.00 0.00 WT1 O ATOM 23633 H1 TIP3 8109 32.903 6.863 50.549 1.00 0.00 WT1 H ATOM 23634 H2 TIP3 8109 32.521 5.408 50.383 1.00 0.00 WT1 H ATOM 23635 OH2 TIP3 8110 22.405 29.194 37.177 1.00 0.00 WT1 O ATOM 23636 H1 TIP3 8110 21.926 28.412 36.903 1.00 0.00 WT1 H ATOM 23637 H2 TIP3 8110 22.090 29.885 36.594 1.00 0.00 WT1 H ATOM 23638 OH2 TIP3 8111 82.870 30.140 41.109 1.00 0.00 WT1 O ATOM 23639 H1 TIP3 8111 82.496 29.292 41.348 1.00 0.00 WT1 H ATOM 23640 H2 TIP3 8111 83.003 30.588 41.944 1.00 0.00 WT1 H ATOM 23641 OH2 TIP3 8112 51.826 91.204 37.118 1.00 0.00 WT1 O ATOM 23642 H1 TIP3 8112 50.924 91.416 36.877 1.00 0.00 WT1 H ATOM 23643 H2 TIP3 8112 52.011 90.385 36.658 1.00 0.00 WT1 H ATOM 23644 OH2 TIP3 8113 31.001 23.649 43.977 1.00 0.00 WT1 O ATOM 23645 H1 TIP3 8113 30.874 24.564 44.228 1.00 0.00 WT1 H ATOM 23646 H2 TIP3 8113 31.906 23.456 44.222 1.00 0.00 WT1 H ATOM 23647 OH2 TIP3 8114 45.598 91.231 27.789 1.00 0.00 WT1 O ATOM 23648 H1 TIP3 8114 46.024 91.912 27.268 1.00 0.00 WT1 H ATOM 23649 H2 TIP3 8114 46.154 90.460 27.676 1.00 0.00 WT1 H ATOM 23650 OH2 TIP3 8116 50.846 14.080 -7.327 1.00 0.00 WT1 O ATOM 23651 H1 TIP3 8116 51.072 14.888 -6.866 1.00 0.00 WT1 H ATOM 23652 H2 TIP3 8116 51.565 13.481 -7.125 1.00 0.00 WT1 H ATOM 23653 OH2 TIP3 8117 28.856 61.147 59.188 1.00 0.00 WT1 O ATOM 23654 H1 TIP3 8117 29.546 60.853 59.783 1.00 0.00 WT1 H ATOM 23655 H2 TIP3 8117 28.042 60.880 59.613 1.00 0.00 WT1 H ATOM 23656 OH2 TIP3 8118 86.209 31.474 -0.447 1.00 0.00 WT1 O ATOM 23657 H1 TIP3 8118 87.020 31.480 0.061 1.00 0.00 WT1 H ATOM 23658 H2 TIP3 8118 85.518 31.611 0.202 1.00 0.00 WT1 H ATOM 23659 OH2 TIP3 8119 70.937 34.849 6.550 1.00 0.00 WT1 O ATOM 23660 H1 TIP3 8119 70.539 34.024 6.272 1.00 0.00 WT1 H ATOM 23661 H2 TIP3 8119 70.200 35.382 6.848 1.00 0.00 WT1 H ATOM 23662 OH2 TIP3 8120 41.464 73.882 17.332 1.00 0.00 WT1 O ATOM 23663 H1 TIP3 8120 41.845 73.098 17.729 1.00 0.00 WT1 H ATOM 23664 H2 TIP3 8120 41.874 73.938 16.469 1.00 0.00 WT1 H ATOM 23665 OH2 TIP3 8121 57.965 39.724 50.131 1.00 0.00 WT1 O ATOM 23666 H1 TIP3 8121 57.850 40.544 50.611 1.00 0.00 WT1 H ATOM 23667 H2 TIP3 8121 57.427 39.827 49.346 1.00 0.00 WT1 H ATOM 23668 OH2 TIP3 8122 65.283 44.832 -11.823 1.00 0.00 WT1 O ATOM 23669 H1 TIP3 8122 64.399 45.118 -11.592 1.00 0.00 WT1 H ATOM 23670 H2 TIP3 8122 65.150 44.043 -12.349 1.00 0.00 WT1 H ATOM 23671 OH2 TIP3 8123 76.353 23.825 63.943 1.00 0.00 WT1 O ATOM 23672 H1 TIP3 8123 76.533 24.252 64.780 1.00 0.00 WT1 H ATOM 23673 H2 TIP3 8123 75.534 24.221 63.644 1.00 0.00 WT1 H ATOM 23674 OH2 TIP3 8124 35.513 30.701 64.711 1.00 0.00 WT1 O ATOM 23675 H1 TIP3 8124 34.634 30.903 64.390 1.00 0.00 WT1 H ATOM 23676 H2 TIP3 8124 35.593 29.752 64.611 1.00 0.00 WT1 H ATOM 23677 OH2 TIP3 8125 26.972 95.420 17.219 1.00 0.00 WT1 O ATOM 23678 H1 TIP3 8125 27.812 95.019 17.441 1.00 0.00 WT1 H ATOM 23679 H2 TIP3 8125 27.168 95.992 16.477 1.00 0.00 WT1 H ATOM 23680 OH2 TIP3 8126 87.109 13.126 65.572 1.00 0.00 WT1 O ATOM 23681 H1 TIP3 8126 86.941 13.726 66.299 1.00 0.00 WT1 H ATOM 23682 H2 TIP3 8126 88.051 12.964 65.608 1.00 0.00 WT1 H ATOM 23683 OH2 TIP3 8127 26.900 28.511 6.918 1.00 0.00 WT1 O ATOM 23684 H1 TIP3 8127 26.393 27.890 7.441 1.00 0.00 WT1 H ATOM 23685 H2 TIP3 8127 27.590 28.816 7.508 1.00 0.00 WT1 H ATOM 23686 OH2 TIP3 8128 22.044 41.432 7.760 1.00 0.00 WT1 O ATOM 23687 H1 TIP3 8128 21.119 41.671 7.706 1.00 0.00 WT1 H ATOM 23688 H2 TIP3 8128 22.440 42.122 8.293 1.00 0.00 WT1 H ATOM 23689 OH2 TIP3 8129 71.501 33.448 34.552 1.00 0.00 WT1 O ATOM 23690 H1 TIP3 8129 72.342 33.155 34.199 1.00 0.00 WT1 H ATOM 23691 H2 TIP3 8129 70.979 33.663 33.780 1.00 0.00 WT1 H ATOM 23692 OH2 TIP3 8130 21.799 74.359 42.148 1.00 0.00 WT1 O ATOM 23693 H1 TIP3 8130 21.930 74.656 41.247 1.00 0.00 WT1 H ATOM 23694 H2 TIP3 8130 21.873 73.406 42.100 1.00 0.00 WT1 H ATOM 23695 OH2 TIP3 8131 80.646 32.116 64.184 1.00 0.00 WT1 O ATOM 23696 H1 TIP3 8131 80.924 33.008 64.391 1.00 0.00 WT1 H ATOM 23697 H2 TIP3 8131 80.126 31.846 64.940 1.00 0.00 WT1 H ATOM 23698 OH2 TIP3 8132 65.524 42.564 32.071 1.00 0.00 WT1 O ATOM 23699 H1 TIP3 8132 64.582 42.733 32.058 1.00 0.00 WT1 H ATOM 23700 H2 TIP3 8132 65.919 43.388 31.787 1.00 0.00 WT1 H ATOM 23701 OH2 TIP3 8133 64.464 6.404 -12.520 1.00 0.00 WT1 O ATOM 23702 H1 TIP3 8133 64.519 7.306 -12.836 1.00 0.00 WT1 H ATOM 23703 H2 TIP3 8133 65.160 6.336 -11.867 1.00 0.00 WT1 H ATOM 23704 OH2 TIP3 8134 54.156 43.939 -3.087 1.00 0.00 WT1 O ATOM 23705 H1 TIP3 8134 53.287 43.913 -2.687 1.00 0.00 WT1 H ATOM 23706 H2 TIP3 8134 54.761 43.946 -2.346 1.00 0.00 WT1 H ATOM 23707 OH2 TIP3 8135 74.784 63.725 16.638 1.00 0.00 WT1 O ATOM 23708 H1 TIP3 8135 73.941 63.559 17.059 1.00 0.00 WT1 H ATOM 23709 H2 TIP3 8135 74.750 64.648 16.389 1.00 0.00 WT1 H ATOM 23710 OH2 TIP3 8136 78.791 92.359 -10.291 1.00 0.00 WT1 O ATOM 23711 H1 TIP3 8136 79.198 92.277 -9.429 1.00 0.00 WT1 H ATOM 23712 H2 TIP3 8136 79.519 92.558 -10.881 1.00 0.00 WT1 H ATOM 23713 OH2 TIP3 8137 84.301 54.721 51.435 1.00 0.00 WT1 O ATOM 23714 H1 TIP3 8137 85.162 55.035 51.160 1.00 0.00 WT1 H ATOM 23715 H2 TIP3 8137 84.345 53.771 51.325 1.00 0.00 WT1 H ATOM 23716 OH2 TIP3 8138 38.822 74.198 61.657 1.00 0.00 WT1 O ATOM 23717 H1 TIP3 8138 38.536 75.076 61.908 1.00 0.00 WT1 H ATOM 23718 H2 TIP3 8138 38.295 73.985 60.887 1.00 0.00 WT1 H ATOM 23719 OH2 TIP3 8139 64.915 8.348 35.711 1.00 0.00 WT1 O ATOM 23720 H1 TIP3 8139 65.820 8.063 35.836 1.00 0.00 WT1 H ATOM 23721 H2 TIP3 8139 64.846 8.524 34.773 1.00 0.00 WT1 H ATOM 23722 OH2 TIP3 8140 38.658 29.882 41.363 1.00 0.00 WT1 O ATOM 23723 H1 TIP3 8140 39.477 29.387 41.326 1.00 0.00 WT1 H ATOM 23724 H2 TIP3 8140 38.203 29.653 40.552 1.00 0.00 WT1 H ATOM 23725 OH2 TIP3 8141 38.487 80.558 39.788 1.00 0.00 WT1 O ATOM 23726 H1 TIP3 8141 38.161 80.069 39.032 1.00 0.00 WT1 H ATOM 23727 H2 TIP3 8141 38.854 81.359 39.416 1.00 0.00 WT1 H ATOM 23728 OH2 TIP3 8142 78.380 41.020 -7.599 1.00 0.00 WT1 O ATOM 23729 H1 TIP3 8142 77.784 40.767 -6.894 1.00 0.00 WT1 H ATOM 23730 H2 TIP3 8142 79.139 41.393 -7.149 1.00 0.00 WT1 H ATOM 23731 OH2 TIP3 8143 83.843 18.713 39.736 1.00 0.00 WT1 O ATOM 23732 H1 TIP3 8143 84.736 18.490 39.472 1.00 0.00 WT1 H ATOM 23733 H2 TIP3 8143 83.784 19.660 39.608 1.00 0.00 WT1 H ATOM 23734 OH2 TIP3 8144 21.060 13.209 8.928 1.00 0.00 WT1 O ATOM 23735 H1 TIP3 8144 21.808 13.268 8.334 1.00 0.00 WT1 H ATOM 23736 H2 TIP3 8144 20.925 14.106 9.235 1.00 0.00 WT1 H ATOM 23737 OH2 TIP3 8145 61.244 65.146 37.938 1.00 0.00 WT1 O ATOM 23738 H1 TIP3 8145 61.781 64.594 37.369 1.00 0.00 WT1 H ATOM 23739 H2 TIP3 8145 60.344 64.886 37.744 1.00 0.00 WT1 H ATOM 23740 OH2 TIP3 8146 37.621 15.035 10.403 1.00 0.00 WT1 O ATOM 23741 H1 TIP3 8146 37.816 14.345 11.037 1.00 0.00 WT1 H ATOM 23742 H2 TIP3 8146 37.869 14.662 9.558 1.00 0.00 WT1 H ATOM 23743 OH2 TIP3 8147 30.970 87.835 55.464 1.00 0.00 WT1 O ATOM 23744 H1 TIP3 8147 30.276 88.494 55.436 1.00 0.00 WT1 H ATOM 23745 H2 TIP3 8147 31.339 87.913 56.344 1.00 0.00 WT1 H ATOM 23746 OH2 TIP3 8148 73.396 45.801 -14.927 1.00 0.00 WT1 O ATOM 23747 H1 TIP3 8148 73.487 46.340 -14.141 1.00 0.00 WT1 H ATOM 23748 H2 TIP3 8148 73.611 44.915 -14.636 1.00 0.00 WT1 H ATOM 23749 OH2 TIP3 8149 46.157 32.753 59.150 1.00 0.00 WT1 O ATOM 23750 H1 TIP3 8149 46.168 33.518 59.725 1.00 0.00 WT1 H ATOM 23751 H2 TIP3 8149 45.609 33.016 58.411 1.00 0.00 WT1 H ATOM 23752 OH2 TIP3 8150 62.895 84.327 -3.377 1.00 0.00 WT1 O ATOM 23753 H1 TIP3 8150 62.672 83.902 -2.549 1.00 0.00 WT1 H ATOM 23754 H2 TIP3 8150 62.569 85.222 -3.283 1.00 0.00 WT1 H ATOM 23755 OH2 TIP3 8151 69.455 75.030 44.138 1.00 0.00 WT1 O ATOM 23756 H1 TIP3 8151 69.510 74.204 43.657 1.00 0.00 WT1 H ATOM 23757 H2 TIP3 8151 69.376 75.699 43.458 1.00 0.00 WT1 H ATOM 23758 OH2 TIP3 8152 66.378 44.125 41.444 1.00 0.00 WT1 O ATOM 23759 H1 TIP3 8152 65.985 44.144 40.571 1.00 0.00 WT1 H ATOM 23760 H2 TIP3 8152 66.911 44.919 41.484 1.00 0.00 WT1 H ATOM 23761 OH2 TIP3 8153 75.338 21.704 8.229 1.00 0.00 WT1 O ATOM 23762 H1 TIP3 8153 75.669 22.279 8.919 1.00 0.00 WT1 H ATOM 23763 H2 TIP3 8153 75.007 20.936 8.695 1.00 0.00 WT1 H ATOM 23764 OH2 TIP3 8154 82.400 27.437 38.606 1.00 0.00 WT1 O ATOM 23765 H1 TIP3 8154 82.751 26.972 37.847 1.00 0.00 WT1 H ATOM 23766 H2 TIP3 8154 82.516 28.363 38.395 1.00 0.00 WT1 H ATOM 23767 OH2 TIP3 8155 28.766 23.260 21.994 1.00 0.00 WT1 O ATOM 23768 H1 TIP3 8155 28.418 24.152 21.970 1.00 0.00 WT1 H ATOM 23769 H2 TIP3 8155 29.179 23.188 22.855 1.00 0.00 WT1 H ATOM 23770 OH2 TIP3 8156 58.474 33.625 11.962 1.00 0.00 WT1 O ATOM 23771 H1 TIP3 8156 57.584 33.282 11.876 1.00 0.00 WT1 H ATOM 23772 H2 TIP3 8156 58.363 34.479 12.379 1.00 0.00 WT1 H ATOM 23773 OH2 TIP3 8157 63.392 57.719 -5.834 1.00 0.00 WT1 O ATOM 23774 H1 TIP3 8157 62.737 57.050 -5.637 1.00 0.00 WT1 H ATOM 23775 H2 TIP3 8157 63.285 58.370 -5.140 1.00 0.00 WT1 H ATOM 23776 OH2 TIP3 8158 24.009 34.225 -15.723 1.00 0.00 WT1 O ATOM 23777 H1 TIP3 8158 23.141 34.531 -15.984 1.00 0.00 WT1 H ATOM 23778 H2 TIP3 8158 23.840 33.576 -15.041 1.00 0.00 WT1 H ATOM 23779 OH2 TIP3 8159 47.756 12.738 41.528 1.00 0.00 WT1 O ATOM 23780 H1 TIP3 8159 48.420 12.139 41.187 1.00 0.00 WT1 H ATOM 23781 H2 TIP3 8159 47.961 13.580 41.121 1.00 0.00 WT1 H ATOM 23782 OH2 TIP3 8160 58.168 44.509 66.276 1.00 0.00 WT1 O ATOM 23783 H1 TIP3 8160 59.093 44.617 66.500 1.00 0.00 WT1 H ATOM 23784 H2 TIP3 8160 57.899 45.369 65.952 1.00 0.00 WT1 H ATOM 23785 OH2 TIP3 8162 60.001 11.800 29.100 1.00 0.00 WT1 O ATOM 23786 H1 TIP3 8162 59.969 11.037 28.523 1.00 0.00 WT1 H ATOM 23787 H2 TIP3 8162 60.003 12.550 28.506 1.00 0.00 WT1 H ATOM 23788 OH2 TIP3 8163 69.773 24.219 19.480 1.00 0.00 WT1 O ATOM 23789 H1 TIP3 8163 69.272 23.498 19.099 1.00 0.00 WT1 H ATOM 23790 H2 TIP3 8163 69.575 24.971 18.921 1.00 0.00 WT1 H ATOM 23791 OH2 TIP3 8164 66.230 30.573 63.983 1.00 0.00 WT1 O ATOM 23792 H1 TIP3 8164 67.169 30.673 63.827 1.00 0.00 WT1 H ATOM 23793 H2 TIP3 8164 65.816 31.138 63.331 1.00 0.00 WT1 H ATOM 23794 OH2 TIP3 8165 66.742 14.293 -8.189 1.00 0.00 WT1 O ATOM 23795 H1 TIP3 8165 66.853 14.520 -7.266 1.00 0.00 WT1 H ATOM 23796 H2 TIP3 8165 65.988 13.703 -8.202 1.00 0.00 WT1 H ATOM 23797 OH2 TIP3 8166 35.229 45.613 -17.411 1.00 0.00 WT1 O ATOM 23798 H1 TIP3 8166 35.313 46.057 -16.568 1.00 0.00 WT1 H ATOM 23799 H2 TIP3 8166 36.068 45.762 -17.847 1.00 0.00 WT1 H ATOM 23800 OH2 TIP3 8167 29.761 28.002 19.150 1.00 0.00 WT1 O ATOM 23801 H1 TIP3 8167 29.620 28.049 18.204 1.00 0.00 WT1 H ATOM 23802 H2 TIP3 8167 29.421 28.832 19.484 1.00 0.00 WT1 H ATOM 23803 OH2 TIP3 8168 65.386 74.871 67.141 1.00 0.00 WT1 O ATOM 23804 H1 TIP3 8168 65.036 74.822 66.251 1.00 0.00 WT1 H ATOM 23805 H2 TIP3 8168 66.048 75.562 67.101 1.00 0.00 WT1 H ATOM 23806 OH2 TIP3 8169 37.503 6.292 -5.675 1.00 0.00 WT1 O ATOM 23807 H1 TIP3 8169 37.605 6.752 -4.842 1.00 0.00 WT1 H ATOM 23808 H2 TIP3 8169 36.629 6.537 -5.979 1.00 0.00 WT1 H ATOM 23809 OH2 TIP3 8170 74.852 49.365 1.604 1.00 0.00 WT1 O ATOM 23810 H1 TIP3 8170 74.951 48.967 0.739 1.00 0.00 WT1 H ATOM 23811 H2 TIP3 8170 75.198 48.710 2.210 1.00 0.00 WT1 H ATOM 23812 OH2 TIP3 8171 34.474 60.907 64.319 1.00 0.00 WT1 O ATOM 23813 H1 TIP3 8171 33.770 61.224 63.753 1.00 0.00 WT1 H ATOM 23814 H2 TIP3 8171 34.039 60.687 65.142 1.00 0.00 WT1 H ATOM 23815 OH2 TIP3 8172 80.640 25.221 -4.600 1.00 0.00 WT1 O ATOM 23816 H1 TIP3 8172 81.035 26.065 -4.378 1.00 0.00 WT1 H ATOM 23817 H2 TIP3 8172 80.158 25.388 -5.410 1.00 0.00 WT1 H ATOM 23818 OH2 TIP3 8173 75.687 59.596 64.893 1.00 0.00 WT1 O ATOM 23819 H1 TIP3 8173 75.697 58.910 65.561 1.00 0.00 WT1 H ATOM 23820 H2 TIP3 8173 75.170 59.227 64.177 1.00 0.00 WT1 H ATOM 23821 OH2 TIP3 8174 25.974 15.516 12.456 1.00 0.00 WT1 O ATOM 23822 H1 TIP3 8174 25.403 16.265 12.285 1.00 0.00 WT1 H ATOM 23823 H2 TIP3 8174 26.002 15.448 13.410 1.00 0.00 WT1 H ATOM 23824 OH2 TIP3 8175 46.696 23.820 -9.609 1.00 0.00 WT1 O ATOM 23825 H1 TIP3 8175 47.023 23.508 -8.765 1.00 0.00 WT1 H ATOM 23826 H2 TIP3 8175 47.279 24.543 -9.839 1.00 0.00 WT1 H ATOM 23827 OH2 TIP3 8176 85.694 57.368 54.439 1.00 0.00 WT1 O ATOM 23828 H1 TIP3 8176 84.913 57.759 54.047 1.00 0.00 WT1 H ATOM 23829 H2 TIP3 8176 86.001 56.739 53.786 1.00 0.00 WT1 H ATOM 23830 OH2 TIP3 8177 68.082 29.939 36.620 1.00 0.00 WT1 O ATOM 23831 H1 TIP3 8177 68.356 29.374 35.898 1.00 0.00 WT1 H ATOM 23832 H2 TIP3 8177 68.901 30.225 37.025 1.00 0.00 WT1 H ATOM 23833 OH2 TIP3 8178 46.736 90.199 39.426 1.00 0.00 WT1 O ATOM 23834 H1 TIP3 8178 46.298 90.179 38.575 1.00 0.00 WT1 H ATOM 23835 H2 TIP3 8178 46.987 89.290 39.588 1.00 0.00 WT1 H ATOM 23836 OH2 TIP3 8179 87.398 62.017 65.398 1.00 0.00 WT1 O ATOM 23837 H1 TIP3 8179 88.123 61.567 64.963 1.00 0.00 WT1 H ATOM 23838 H2 TIP3 8179 86.683 61.381 65.393 1.00 0.00 WT1 H ATOM 23839 OH2 TIP3 8180 31.754 28.965 9.243 1.00 0.00 WT1 O ATOM 23840 H1 TIP3 8180 31.715 29.891 9.484 1.00 0.00 WT1 H ATOM 23841 H2 TIP3 8180 32.671 28.723 9.369 1.00 0.00 WT1 H ATOM 23842 OH2 TIP3 8181 61.772 51.842 -13.922 1.00 0.00 WT1 O ATOM 23843 H1 TIP3 8181 62.443 52.315 -14.415 1.00 0.00 WT1 H ATOM 23844 H2 TIP3 8181 62.199 51.611 -13.097 1.00 0.00 WT1 H ATOM 23845 OH2 TIP3 8182 35.945 95.984 43.122 1.00 0.00 WT1 O ATOM 23846 H1 TIP3 8182 36.468 95.842 43.910 1.00 0.00 WT1 H ATOM 23847 H2 TIP3 8182 35.868 95.116 42.726 1.00 0.00 WT1 H ATOM 23848 OH2 TIP3 8183 75.640 40.663 50.702 1.00 0.00 WT1 O ATOM 23849 H1 TIP3 8183 74.837 41.111 50.434 1.00 0.00 WT1 H ATOM 23850 H2 TIP3 8183 75.489 40.429 51.618 1.00 0.00 WT1 H ATOM 23851 OH2 TIP3 8184 32.355 9.651 -14.068 1.00 0.00 WT1 O ATOM 23852 H1 TIP3 8184 32.631 9.496 -14.972 1.00 0.00 WT1 H ATOM 23853 H2 TIP3 8184 33.172 9.686 -13.571 1.00 0.00 WT1 H ATOM 23854 OH2 TIP3 8185 79.475 74.330 42.799 1.00 0.00 WT1 O ATOM 23855 H1 TIP3 8185 79.239 73.546 43.295 1.00 0.00 WT1 H ATOM 23856 H2 TIP3 8185 80.431 74.350 42.821 1.00 0.00 WT1 H ATOM 23857 OH2 TIP3 8186 86.735 37.279 20.458 1.00 0.00 WT1 O ATOM 23858 H1 TIP3 8186 86.688 38.124 20.011 1.00 0.00 WT1 H ATOM 23859 H2 TIP3 8186 86.464 36.642 19.796 1.00 0.00 WT1 H ATOM 23860 OH2 TIP3 8187 90.636 46.019 -3.061 1.00 0.00 WT1 O ATOM 23861 H1 TIP3 8187 89.744 46.279 -3.293 1.00 0.00 WT1 H ATOM 23862 H2 TIP3 8187 90.768 46.372 -2.181 1.00 0.00 WT1 H ATOM 23863 OH2 TIP3 8188 54.713 40.084 41.187 1.00 0.00 WT1 O ATOM 23864 H1 TIP3 8188 53.985 39.602 40.795 1.00 0.00 WT1 H ATOM 23865 H2 TIP3 8188 55.314 40.245 40.460 1.00 0.00 WT1 H ATOM 23866 OH2 TIP3 8189 90.567 7.635 -7.069 1.00 0.00 WT1 O ATOM 23867 H1 TIP3 8189 89.837 7.282 -6.559 1.00 0.00 WT1 H ATOM 23868 H2 TIP3 8189 91.123 8.070 -6.422 1.00 0.00 WT1 H ATOM 23869 OH2 TIP3 8190 53.301 96.289 5.419 1.00 0.00 WT1 O ATOM 23870 H1 TIP3 8190 53.593 96.057 6.300 1.00 0.00 WT1 H ATOM 23871 H2 TIP3 8190 52.647 95.625 5.200 1.00 0.00 WT1 H ATOM 23872 OH2 TIP3 8192 86.003 70.688 -7.091 1.00 0.00 WT1 O ATOM 23873 H1 TIP3 8192 85.918 70.037 -6.395 1.00 0.00 WT1 H ATOM 23874 H2 TIP3 8192 85.137 71.091 -7.151 1.00 0.00 WT1 H ATOM 23875 OH2 TIP3 8193 72.488 6.297 -1.301 1.00 0.00 WT1 O ATOM 23876 H1 TIP3 8193 73.120 6.779 -1.834 1.00 0.00 WT1 H ATOM 23877 H2 TIP3 8193 72.593 5.385 -1.570 1.00 0.00 WT1 H ATOM 23878 OH2 TIP3 8194 72.527 63.981 12.556 1.00 0.00 WT1 O ATOM 23879 H1 TIP3 8194 73.360 63.728 12.954 1.00 0.00 WT1 H ATOM 23880 H2 TIP3 8194 71.964 63.215 12.670 1.00 0.00 WT1 H ATOM 23881 OH2 TIP3 8195 65.069 31.609 24.547 1.00 0.00 WT1 O ATOM 23882 H1 TIP3 8195 64.790 31.465 23.643 1.00 0.00 WT1 H ATOM 23883 H2 TIP3 8195 66.020 31.501 24.526 1.00 0.00 WT1 H ATOM 23884 OH2 TIP3 8196 39.211 63.246 6.944 1.00 0.00 WT1 O ATOM 23885 H1 TIP3 8196 39.912 63.585 7.501 1.00 0.00 WT1 H ATOM 23886 H2 TIP3 8196 39.451 62.334 6.784 1.00 0.00 WT1 H ATOM 23887 OH2 TIP3 8197 24.327 39.834 0.068 1.00 0.00 WT1 O ATOM 23888 H1 TIP3 8197 25.281 39.875 0.006 1.00 0.00 WT1 H ATOM 23889 H2 TIP3 8197 24.092 39.021 -0.379 1.00 0.00 WT1 H ATOM 23890 OH2 TIP3 8198 75.772 87.975 1.585 1.00 0.00 WT1 O ATOM 23891 H1 TIP3 8198 76.002 88.131 2.501 1.00 0.00 WT1 H ATOM 23892 H2 TIP3 8198 74.879 87.634 1.617 1.00 0.00 WT1 H ATOM 23893 OH2 TIP3 8199 43.489 80.463 55.426 1.00 0.00 WT1 O ATOM 23894 H1 TIP3 8199 43.745 81.217 54.894 1.00 0.00 WT1 H ATOM 23895 H2 TIP3 8199 42.803 80.032 54.917 1.00 0.00 WT1 H ATOM 23896 OH2 TIP3 8200 61.276 45.818 -8.123 1.00 0.00 WT1 O ATOM 23897 H1 TIP3 8200 61.074 46.753 -8.136 1.00 0.00 WT1 H ATOM 23898 H2 TIP3 8200 61.963 45.730 -7.462 1.00 0.00 WT1 H ATOM 23899 OH2 TIP3 8201 74.478 90.170 -0.870 1.00 0.00 WT1 O ATOM 23900 H1 TIP3 8201 74.067 89.598 -0.221 1.00 0.00 WT1 H ATOM 23901 H2 TIP3 8201 73.850 90.881 -0.995 1.00 0.00 WT1 H ATOM 23902 OH2 TIP3 8202 37.706 59.679 28.258 1.00 0.00 WT1 O ATOM 23903 H1 TIP3 8202 38.046 60.252 27.571 1.00 0.00 WT1 H ATOM 23904 H2 TIP3 8202 38.133 59.984 29.059 1.00 0.00 WT1 H ATOM 23905 OH2 TIP3 8203 74.833 55.267 6.727 1.00 0.00 WT1 O ATOM 23906 H1 TIP3 8203 74.604 56.192 6.815 1.00 0.00 WT1 H ATOM 23907 H2 TIP3 8203 73.995 54.807 6.783 1.00 0.00 WT1 H ATOM 23908 OH2 TIP3 8204 56.313 49.190 38.356 1.00 0.00 WT1 O ATOM 23909 H1 TIP3 8204 55.762 49.956 38.198 1.00 0.00 WT1 H ATOM 23910 H2 TIP3 8204 56.757 49.038 37.522 1.00 0.00 WT1 H ATOM 23911 OH2 TIP3 8205 59.780 52.024 23.777 1.00 0.00 WT1 O ATOM 23912 H1 TIP3 8205 59.571 52.949 23.649 1.00 0.00 WT1 H ATOM 23913 H2 TIP3 8205 58.948 51.570 23.649 1.00 0.00 WT1 H ATOM 23914 OH2 TIP3 8206 90.152 47.593 -19.197 1.00 0.00 WT1 O ATOM 23915 H1 TIP3 8206 89.754 48.330 -19.660 1.00 0.00 WT1 H ATOM 23916 H2 TIP3 8206 89.418 47.156 -18.765 1.00 0.00 WT1 H ATOM 23917 OH2 TIP3 8207 81.521 51.138 -18.313 1.00 0.00 WT1 O ATOM 23918 H1 TIP3 8207 80.615 50.844 -18.406 1.00 0.00 WT1 H ATOM 23919 H2 TIP3 8207 81.515 51.689 -17.530 1.00 0.00 WT1 H ATOM 23920 OH2 TIP3 8208 87.337 41.765 15.163 1.00 0.00 WT1 O ATOM 23921 H1 TIP3 8208 86.677 41.103 14.961 1.00 0.00 WT1 H ATOM 23922 H2 TIP3 8208 88.115 41.483 14.683 1.00 0.00 WT1 H ATOM 23923 OH2 TIP3 8209 78.330 54.969 9.876 1.00 0.00 WT1 O ATOM 23924 H1 TIP3 8209 77.533 55.482 10.008 1.00 0.00 WT1 H ATOM 23925 H2 TIP3 8209 78.436 54.475 10.690 1.00 0.00 WT1 H ATOM 23926 OH2 TIP3 8210 55.939 14.846 5.788 1.00 0.00 WT1 O ATOM 23927 H1 TIP3 8210 55.670 13.929 5.734 1.00 0.00 WT1 H ATOM 23928 H2 TIP3 8210 55.475 15.188 6.552 1.00 0.00 WT1 H ATOM 23929 OH2 TIP3 8212 68.279 52.333 2.880 1.00 0.00 WT1 O ATOM 23930 H1 TIP3 8212 67.667 53.059 2.752 1.00 0.00 WT1 H ATOM 23931 H2 TIP3 8212 68.481 52.353 3.816 1.00 0.00 WT1 H ATOM 23932 OH2 TIP3 8215 78.485 50.012 -10.647 1.00 0.00 WT1 O ATOM 23933 H1 TIP3 8215 77.835 50.100 -9.951 1.00 0.00 WT1 H ATOM 23934 H2 TIP3 8215 79.320 49.928 -10.187 1.00 0.00 WT1 H ATOM 23935 OH2 TIP3 8216 38.818 39.384 34.065 1.00 0.00 WT1 O ATOM 23936 H1 TIP3 8216 38.454 38.542 34.340 1.00 0.00 WT1 H ATOM 23937 H2 TIP3 8216 38.144 39.763 33.501 1.00 0.00 WT1 H ATOM 23938 OH2 TIP3 8217 78.046 58.068 48.786 1.00 0.00 WT1 O ATOM 23939 H1 TIP3 8217 77.829 57.334 48.212 1.00 0.00 WT1 H ATOM 23940 H2 TIP3 8217 77.273 58.633 48.756 1.00 0.00 WT1 H ATOM 23941 OH2 TIP3 8218 81.529 30.544 56.573 1.00 0.00 WT1 O ATOM 23942 H1 TIP3 8218 81.577 29.908 55.860 1.00 0.00 WT1 H ATOM 23943 H2 TIP3 8218 81.942 31.332 56.221 1.00 0.00 WT1 H ATOM 23944 OH2 TIP3 8219 63.966 17.005 -9.658 1.00 0.00 WT1 O ATOM 23945 H1 TIP3 8219 63.712 17.639 -8.987 1.00 0.00 WT1 H ATOM 23946 H2 TIP3 8219 63.919 17.494 -10.479 1.00 0.00 WT1 H ATOM 23947 OH2 TIP3 8220 41.639 62.491 12.685 1.00 0.00 WT1 O ATOM 23948 H1 TIP3 8220 41.423 62.693 13.596 1.00 0.00 WT1 H ATOM 23949 H2 TIP3 8220 42.591 62.582 12.639 1.00 0.00 WT1 H ATOM 23950 OH2 TIP3 8221 61.958 19.801 15.228 1.00 0.00 WT1 O ATOM 23951 H1 TIP3 8221 61.929 19.834 14.272 1.00 0.00 WT1 H ATOM 23952 H2 TIP3 8221 61.818 20.707 15.504 1.00 0.00 WT1 H ATOM 23953 OH2 TIP3 8222 36.288 63.234 28.291 1.00 0.00 WT1 O ATOM 23954 H1 TIP3 8222 36.887 63.228 27.544 1.00 0.00 WT1 H ATOM 23955 H2 TIP3 8222 36.814 63.566 29.018 1.00 0.00 WT1 H ATOM 23956 OH2 TIP3 8223 57.462 51.017 -12.127 1.00 0.00 WT1 O ATOM 23957 H1 TIP3 8223 57.526 50.350 -11.444 1.00 0.00 WT1 H ATOM 23958 H2 TIP3 8223 58.317 51.003 -12.558 1.00 0.00 WT1 H ATOM 23959 OH2 TIP3 8224 25.048 27.382 -0.596 1.00 0.00 WT1 O ATOM 23960 H1 TIP3 8224 24.622 27.091 -1.402 1.00 0.00 WT1 H ATOM 23961 H2 TIP3 8224 25.768 27.939 -0.894 1.00 0.00 WT1 H ATOM 23962 OH2 TIP3 8225 66.614 29.720 28.352 1.00 0.00 WT1 O ATOM 23963 H1 TIP3 8225 65.728 29.800 27.998 1.00 0.00 WT1 H ATOM 23964 H2 TIP3 8225 67.174 29.634 27.581 1.00 0.00 WT1 H ATOM 23965 OH2 TIP3 8226 82.267 39.826 33.929 1.00 0.00 WT1 O ATOM 23966 H1 TIP3 8226 82.892 39.263 34.386 1.00 0.00 WT1 H ATOM 23967 H2 TIP3 8226 81.433 39.362 33.995 1.00 0.00 WT1 H ATOM 23968 OH2 TIP3 8227 78.431 28.792 -9.764 1.00 0.00 WT1 O ATOM 23969 H1 TIP3 8227 77.549 28.522 -9.506 1.00 0.00 WT1 H ATOM 23970 H2 TIP3 8227 78.314 29.665 -10.139 1.00 0.00 WT1 H ATOM 23971 OH2 TIP3 8228 81.657 86.659 6.475 1.00 0.00 WT1 O ATOM 23972 H1 TIP3 8228 81.206 87.190 5.819 1.00 0.00 WT1 H ATOM 23973 H2 TIP3 8228 81.499 87.114 7.303 1.00 0.00 WT1 H ATOM 23974 OH2 TIP3 8229 62.961 8.733 4.977 1.00 0.00 WT1 O ATOM 23975 H1 TIP3 8229 62.810 9.678 4.995 1.00 0.00 WT1 H ATOM 23976 H2 TIP3 8229 63.533 8.567 5.726 1.00 0.00 WT1 H ATOM 23977 OH2 TIP3 8230 43.165 88.756 21.793 1.00 0.00 WT1 O ATOM 23978 H1 TIP3 8230 42.727 87.913 21.677 1.00 0.00 WT1 H ATOM 23979 H2 TIP3 8230 42.578 89.255 22.361 1.00 0.00 WT1 H ATOM 23980 OH2 TIP3 8231 43.288 26.389 0.573 1.00 0.00 WT1 O ATOM 23981 H1 TIP3 8231 43.762 26.389 -0.259 1.00 0.00 WT1 H ATOM 23982 H2 TIP3 8231 42.923 27.271 0.641 1.00 0.00 WT1 H ATOM 23983 OH2 TIP3 8232 62.986 52.848 33.162 1.00 0.00 WT1 O ATOM 23984 H1 TIP3 8232 63.638 52.763 32.466 1.00 0.00 WT1 H ATOM 23985 H2 TIP3 8232 62.197 53.156 32.714 1.00 0.00 WT1 H ATOM 23986 OH2 TIP3 8233 25.468 62.811 38.502 1.00 0.00 WT1 O ATOM 23987 H1 TIP3 8233 25.009 63.442 37.948 1.00 0.00 WT1 H ATOM 23988 H2 TIP3 8233 25.279 61.961 38.104 1.00 0.00 WT1 H ATOM 23989 OH2 TIP3 8234 62.758 41.956 -8.213 1.00 0.00 WT1 O ATOM 23990 H1 TIP3 8234 63.440 42.611 -8.362 1.00 0.00 WT1 H ATOM 23991 H2 TIP3 8234 63.033 41.501 -7.417 1.00 0.00 WT1 H ATOM 23992 OH2 TIP3 8235 38.722 63.395 -13.877 1.00 0.00 WT1 O ATOM 23993 H1 TIP3 8235 39.270 62.843 -13.318 1.00 0.00 WT1 H ATOM 23994 H2 TIP3 8235 38.421 64.096 -13.300 1.00 0.00 WT1 H ATOM 23995 OH2 TIP3 8236 55.618 30.085 34.135 1.00 0.00 WT1 O ATOM 23996 H1 TIP3 8236 55.239 30.949 34.294 1.00 0.00 WT1 H ATOM 23997 H2 TIP3 8236 55.180 29.511 34.763 1.00 0.00 WT1 H ATOM 23998 OH2 TIP3 8237 64.884 37.914 59.229 1.00 0.00 WT1 O ATOM 23999 H1 TIP3 8237 65.645 38.282 59.677 1.00 0.00 WT1 H ATOM 24000 H2 TIP3 8237 64.360 37.523 59.928 1.00 0.00 WT1 H ATOM 24001 OH2 TIP3 8238 80.426 0.536 -10.783 1.00 0.00 WT1 O ATOM 24002 H1 TIP3 8238 80.010 0.707 -9.938 1.00 0.00 WT1 H ATOM 24003 H2 TIP3 8238 79.699 0.339 -11.373 1.00 0.00 WT1 H ATOM 24004 OH2 TIP3 8239 62.928 0.940 15.697 1.00 0.00 WT1 O ATOM 24005 H1 TIP3 8239 63.135 1.214 16.591 1.00 0.00 WT1 H ATOM 24006 H2 TIP3 8239 62.957 -0.016 15.726 1.00 0.00 WT1 H ATOM 24007 OH2 TIP3 8240 87.514 35.076 -12.320 1.00 0.00 WT1 O ATOM 24008 H1 TIP3 8240 88.152 34.627 -12.875 1.00 0.00 WT1 H ATOM 24009 H2 TIP3 8240 87.567 35.994 -12.586 1.00 0.00 WT1 H ATOM 24010 OH2 TIP3 8241 22.098 45.147 7.670 1.00 0.00 WT1 O ATOM 24011 H1 TIP3 8241 22.014 45.000 8.612 1.00 0.00 WT1 H ATOM 24012 H2 TIP3 8241 21.342 44.700 7.289 1.00 0.00 WT1 H ATOM 24013 OH2 TIP3 8242 26.140 27.579 -10.977 1.00 0.00 WT1 O ATOM 24014 H1 TIP3 8242 26.772 27.384 -11.669 1.00 0.00 WT1 H ATOM 24015 H2 TIP3 8242 25.339 27.815 -11.443 1.00 0.00 WT1 H ATOM 24016 OH2 TIP3 8244 27.760 81.203 38.360 1.00 0.00 WT1 O ATOM 24017 H1 TIP3 8244 27.424 80.327 38.550 1.00 0.00 WT1 H ATOM 24018 H2 TIP3 8244 26.978 81.750 38.286 1.00 0.00 WT1 H ATOM 24019 OH2 TIP3 8245 50.165 43.358 29.574 1.00 0.00 WT1 O ATOM 24020 H1 TIP3 8245 50.524 44.034 29.000 1.00 0.00 WT1 H ATOM 24021 H2 TIP3 8245 50.099 42.581 29.018 1.00 0.00 WT1 H ATOM 24022 OH2 TIP3 8246 88.081 46.775 22.167 1.00 0.00 WT1 O ATOM 24023 H1 TIP3 8246 87.647 47.059 21.362 1.00 0.00 WT1 H ATOM 24024 H2 TIP3 8246 87.462 46.169 22.573 1.00 0.00 WT1 H ATOM 24025 OH2 TIP3 8248 82.321 25.042 49.605 1.00 0.00 WT1 O ATOM 24026 H1 TIP3 8248 83.111 25.562 49.754 1.00 0.00 WT1 H ATOM 24027 H2 TIP3 8248 81.890 25.467 48.864 1.00 0.00 WT1 H ATOM 24028 OH2 TIP3 8249 56.545 46.597 40.483 1.00 0.00 WT1 O ATOM 24029 H1 TIP3 8249 56.221 46.762 39.598 1.00 0.00 WT1 H ATOM 24030 H2 TIP3 8249 57.382 46.151 40.353 1.00 0.00 WT1 H ATOM 24031 OH2 TIP3 8250 84.174 9.030 60.095 1.00 0.00 WT1 O ATOM 24032 H1 TIP3 8250 85.122 8.903 60.093 1.00 0.00 WT1 H ATOM 24033 H2 TIP3 8250 83.815 8.155 60.239 1.00 0.00 WT1 H ATOM 24034 OH2 TIP3 8251 25.632 77.206 25.471 1.00 0.00 WT1 O ATOM 24035 H1 TIP3 8251 26.052 77.140 26.328 1.00 0.00 WT1 H ATOM 24036 H2 TIP3 8251 26.225 76.746 24.877 1.00 0.00 WT1 H ATOM 24037 OH2 TIP3 8252 57.631 18.322 53.449 1.00 0.00 WT1 O ATOM 24038 H1 TIP3 8252 57.439 19.213 53.742 1.00 0.00 WT1 H ATOM 24039 H2 TIP3 8252 57.287 18.283 52.557 1.00 0.00 WT1 H ATOM 24040 OH2 TIP3 8253 41.197 83.333 52.604 1.00 0.00 WT1 O ATOM 24041 H1 TIP3 8253 41.961 83.118 53.139 1.00 0.00 WT1 H ATOM 24042 H2 TIP3 8253 41.525 83.961 51.960 1.00 0.00 WT1 H ATOM 24043 OH2 TIP3 8254 40.798 54.334 63.341 1.00 0.00 WT1 O ATOM 24044 H1 TIP3 8254 40.285 53.554 63.127 1.00 0.00 WT1 H ATOM 24045 H2 TIP3 8254 40.144 55.017 63.491 1.00 0.00 WT1 H ATOM 24046 OH2 TIP3 8255 44.653 48.874 55.388 1.00 0.00 WT1 O ATOM 24047 H1 TIP3 8255 43.725 49.074 55.261 1.00 0.00 WT1 H ATOM 24048 H2 TIP3 8255 44.999 49.633 55.858 1.00 0.00 WT1 H ATOM 24049 OH2 TIP3 8256 54.227 5.934 -5.623 1.00 0.00 WT1 O ATOM 24050 H1 TIP3 8256 53.388 5.611 -5.950 1.00 0.00 WT1 H ATOM 24051 H2 TIP3 8256 54.473 6.626 -6.237 1.00 0.00 WT1 H ATOM 24052 OH2 TIP3 8257 41.031 4.855 40.478 1.00 0.00 WT1 O ATOM 24053 H1 TIP3 8257 40.999 4.914 41.433 1.00 0.00 WT1 H ATOM 24054 H2 TIP3 8257 40.709 5.704 40.174 1.00 0.00 WT1 H ATOM 24055 OH2 TIP3 8258 38.821 57.361 52.936 1.00 0.00 WT1 O ATOM 24056 H1 TIP3 8258 38.226 56.814 53.448 1.00 0.00 WT1 H ATOM 24057 H2 TIP3 8258 38.833 56.957 52.068 1.00 0.00 WT1 H ATOM 24058 OH2 TIP3 8259 23.035 58.902 -5.849 1.00 0.00 WT1 O ATOM 24059 H1 TIP3 8259 23.461 58.620 -5.039 1.00 0.00 WT1 H ATOM 24060 H2 TIP3 8259 23.128 59.855 -5.850 1.00 0.00 WT1 H ATOM 24061 OH2 TIP3 8260 33.747 19.102 -12.148 1.00 0.00 WT1 O ATOM 24062 H1 TIP3 8260 33.627 18.555 -12.924 1.00 0.00 WT1 H ATOM 24063 H2 TIP3 8260 32.858 19.306 -11.859 1.00 0.00 WT1 H ATOM 24064 OH2 TIP3 8261 23.143 45.007 29.221 1.00 0.00 WT1 O ATOM 24065 H1 TIP3 8261 23.086 44.704 30.127 1.00 0.00 WT1 H ATOM 24066 H2 TIP3 8261 22.419 45.627 29.129 1.00 0.00 WT1 H ATOM 24067 OH2 TIP3 8262 23.842 47.924 43.957 1.00 0.00 WT1 O ATOM 24068 H1 TIP3 8262 23.262 47.455 43.357 1.00 0.00 WT1 H ATOM 24069 H2 TIP3 8262 24.677 47.974 43.493 1.00 0.00 WT1 H ATOM 24070 OH2 TIP3 8263 74.132 84.774 49.921 1.00 0.00 WT1 O ATOM 24071 H1 TIP3 8263 73.188 84.619 49.955 1.00 0.00 WT1 H ATOM 24072 H2 TIP3 8263 74.359 84.673 48.997 1.00 0.00 WT1 H ATOM 24073 OH2 TIP3 8264 86.115 72.724 18.819 1.00 0.00 WT1 O ATOM 24074 H1 TIP3 8264 86.737 72.052 18.541 1.00 0.00 WT1 H ATOM 24075 H2 TIP3 8264 85.271 72.422 18.483 1.00 0.00 WT1 H ATOM 24076 OH2 TIP3 8265 39.263 50.502 66.987 1.00 0.00 WT1 O ATOM 24077 H1 TIP3 8265 39.166 50.919 66.131 1.00 0.00 WT1 H ATOM 24078 H2 TIP3 8265 38.555 49.859 67.023 1.00 0.00 WT1 H ATOM 24079 OH2 TIP3 8266 20.738 28.309 -6.506 1.00 0.00 WT1 O ATOM 24080 H1 TIP3 8266 21.576 28.770 -6.528 1.00 0.00 WT1 H ATOM 24081 H2 TIP3 8266 20.415 28.441 -5.614 1.00 0.00 WT1 H ATOM 24082 OH2 TIP3 8267 45.385 34.709 42.694 1.00 0.00 WT1 O ATOM 24083 H1 TIP3 8267 45.210 35.616 42.944 1.00 0.00 WT1 H ATOM 24084 H2 TIP3 8267 45.856 34.775 41.864 1.00 0.00 WT1 H ATOM 24085 OH2 TIP3 8268 32.830 33.494 46.542 1.00 0.00 WT1 O ATOM 24086 H1 TIP3 8268 32.432 33.230 47.371 1.00 0.00 WT1 H ATOM 24087 H2 TIP3 8268 33.478 32.814 46.360 1.00 0.00 WT1 H ATOM 24088 OH2 TIP3 8269 81.421 63.951 33.428 1.00 0.00 WT1 O ATOM 24089 H1 TIP3 8269 80.605 63.701 32.996 1.00 0.00 WT1 H ATOM 24090 H2 TIP3 8269 81.222 64.785 33.853 1.00 0.00 WT1 H ATOM 24091 OH2 TIP3 8271 67.004 69.672 3.191 1.00 0.00 WT1 O ATOM 24092 H1 TIP3 8271 66.695 69.896 2.313 1.00 0.00 WT1 H ATOM 24093 H2 TIP3 8271 66.948 70.493 3.681 1.00 0.00 WT1 H ATOM 24094 OH2 TIP3 8272 53.539 71.835 -12.943 1.00 0.00 WT1 O ATOM 24095 H1 TIP3 8272 53.094 71.771 -12.098 1.00 0.00 WT1 H ATOM 24096 H2 TIP3 8272 53.859 70.949 -13.113 1.00 0.00 WT1 H ATOM 24097 OH2 TIP3 8273 28.211 65.145 55.609 1.00 0.00 WT1 O ATOM 24098 H1 TIP3 8273 28.362 64.989 56.542 1.00 0.00 WT1 H ATOM 24099 H2 TIP3 8273 28.524 64.349 55.179 1.00 0.00 WT1 H ATOM 24100 OH2 TIP3 8274 29.321 76.181 -16.752 1.00 0.00 WT1 O ATOM 24101 H1 TIP3 8274 29.009 75.923 -17.620 1.00 0.00 WT1 H ATOM 24102 H2 TIP3 8274 28.553 76.555 -16.322 1.00 0.00 WT1 H ATOM 24103 OH2 TIP3 8275 67.850 63.040 12.565 1.00 0.00 WT1 O ATOM 24104 H1 TIP3 8275 67.176 63.343 13.174 1.00 0.00 WT1 H ATOM 24105 H2 TIP3 8275 67.497 62.228 12.201 1.00 0.00 WT1 H ATOM 24106 OH2 TIP3 8276 81.435 47.660 16.118 1.00 0.00 WT1 O ATOM 24107 H1 TIP3 8276 80.891 47.254 16.793 1.00 0.00 WT1 H ATOM 24108 H2 TIP3 8276 82.325 47.369 16.320 1.00 0.00 WT1 H ATOM 24109 OH2 TIP3 8277 71.601 79.810 4.290 1.00 0.00 WT1 O ATOM 24110 H1 TIP3 8277 72.054 79.146 4.811 1.00 0.00 WT1 H ATOM 24111 H2 TIP3 8277 70.728 79.865 4.679 1.00 0.00 WT1 H ATOM 24112 OH2 TIP3 8278 26.438 39.646 64.628 1.00 0.00 WT1 O ATOM 24113 H1 TIP3 8278 26.816 40.496 64.855 1.00 0.00 WT1 H ATOM 24114 H2 TIP3 8278 27.166 39.155 64.245 1.00 0.00 WT1 H ATOM 24115 OH2 TIP3 8279 31.071 51.522 65.560 1.00 0.00 WT1 O ATOM 24116 H1 TIP3 8279 30.909 51.869 66.437 1.00 0.00 WT1 H ATOM 24117 H2 TIP3 8279 31.243 50.591 65.697 1.00 0.00 WT1 H ATOM 24118 OH2 TIP3 8280 85.610 47.683 32.242 1.00 0.00 WT1 O ATOM 24119 H1 TIP3 8280 85.682 48.298 31.511 1.00 0.00 WT1 H ATOM 24120 H2 TIP3 8280 85.225 46.896 31.856 1.00 0.00 WT1 H ATOM 24121 OH2 TIP3 8281 57.283 49.186 49.638 1.00 0.00 WT1 O ATOM 24122 H1 TIP3 8281 57.183 50.085 49.952 1.00 0.00 WT1 H ATOM 24123 H2 TIP3 8281 58.194 48.965 49.828 1.00 0.00 WT1 H ATOM 24124 OH2 TIP3 8282 64.984 37.382 -6.213 1.00 0.00 WT1 O ATOM 24125 H1 TIP3 8282 65.746 37.698 -5.728 1.00 0.00 WT1 H ATOM 24126 H2 TIP3 8282 65.288 36.582 -6.642 1.00 0.00 WT1 H ATOM 24127 OH2 TIP3 8283 63.766 46.522 8.733 1.00 0.00 WT1 O ATOM 24128 H1 TIP3 8283 63.399 47.326 9.102 1.00 0.00 WT1 H ATOM 24129 H2 TIP3 8283 63.130 45.843 8.958 1.00 0.00 WT1 H ATOM 24130 OH2 TIP3 8285 71.748 42.417 63.440 1.00 0.00 WT1 O ATOM 24131 H1 TIP3 8285 71.662 43.307 63.782 1.00 0.00 WT1 H ATOM 24132 H2 TIP3 8285 71.464 42.482 62.528 1.00 0.00 WT1 H ATOM 24133 OH2 TIP3 8286 40.592 17.334 34.756 1.00 0.00 WT1 O ATOM 24134 H1 TIP3 8286 41.437 17.053 34.404 1.00 0.00 WT1 H ATOM 24135 H2 TIP3 8286 40.004 16.600 34.583 1.00 0.00 WT1 H ATOM 24136 OH2 TIP3 8287 39.049 75.970 11.643 1.00 0.00 WT1 O ATOM 24137 H1 TIP3 8287 39.851 75.745 12.114 1.00 0.00 WT1 H ATOM 24138 H2 TIP3 8287 38.811 76.836 11.973 1.00 0.00 WT1 H ATOM 24139 OH2 TIP3 8288 52.646 17.866 52.674 1.00 0.00 WT1 O ATOM 24140 H1 TIP3 8288 53.529 18.221 52.567 1.00 0.00 WT1 H ATOM 24141 H2 TIP3 8288 52.092 18.437 52.142 1.00 0.00 WT1 H ATOM 24142 OH2 TIP3 8289 88.002 41.393 44.233 1.00 0.00 WT1 O ATOM 24143 H1 TIP3 8289 87.483 41.795 44.929 1.00 0.00 WT1 H ATOM 24144 H2 TIP3 8289 88.897 41.684 44.402 1.00 0.00 WT1 H ATOM 24145 OH2 TIP3 8290 49.643 72.966 -3.445 1.00 0.00 WT1 O ATOM 24146 H1 TIP3 8290 49.917 73.439 -2.659 1.00 0.00 WT1 H ATOM 24147 H2 TIP3 8290 48.740 72.706 -3.266 1.00 0.00 WT1 H ATOM 24148 OH2 TIP3 8291 23.447 81.742 41.125 1.00 0.00 WT1 O ATOM 24149 H1 TIP3 8291 22.912 82.524 40.992 1.00 0.00 WT1 H ATOM 24150 H2 TIP3 8291 23.492 81.332 40.261 1.00 0.00 WT1 H ATOM 24151 OH2 TIP3 8292 37.816 0.914 21.266 1.00 0.00 WT1 O ATOM 24152 H1 TIP3 8292 37.862 0.306 20.528 1.00 0.00 WT1 H ATOM 24153 H2 TIP3 8292 37.061 0.619 21.774 1.00 0.00 WT1 H ATOM 24154 OH2 TIP3 8293 60.606 36.023 -19.834 1.00 0.00 WT1 O ATOM 24155 H1 TIP3 8293 60.324 36.935 -19.761 1.00 0.00 WT1 H ATOM 24156 H2 TIP3 8293 60.937 35.804 -18.963 1.00 0.00 WT1 H ATOM 24157 OH2 TIP3 8294 47.051 26.357 2.950 1.00 0.00 WT1 O ATOM 24158 H1 TIP3 8294 47.362 25.883 3.722 1.00 0.00 WT1 H ATOM 24159 H2 TIP3 8294 46.653 27.153 3.301 1.00 0.00 WT1 H ATOM 24160 OH2 TIP3 8295 60.274 64.970 25.400 1.00 0.00 WT1 O ATOM 24161 H1 TIP3 8295 60.484 65.623 24.733 1.00 0.00 WT1 H ATOM 24162 H2 TIP3 8295 59.318 64.918 25.392 1.00 0.00 WT1 H ATOM 24163 OH2 TIP3 8296 59.355 88.405 16.859 1.00 0.00 WT1 O ATOM 24164 H1 TIP3 8296 59.031 88.478 17.756 1.00 0.00 WT1 H ATOM 24165 H2 TIP3 8296 60.205 88.845 16.874 1.00 0.00 WT1 H ATOM 24166 OH2 TIP3 8297 69.817 49.397 65.506 1.00 0.00 WT1 O ATOM 24167 H1 TIP3 8297 70.006 49.655 66.408 1.00 0.00 WT1 H ATOM 24168 H2 TIP3 8297 68.927 49.712 65.348 1.00 0.00 WT1 H ATOM 24169 OH2 TIP3 8298 23.125 68.744 41.764 1.00 0.00 WT1 O ATOM 24170 H1 TIP3 8298 24.063 68.832 41.933 1.00 0.00 WT1 H ATOM 24171 H2 TIP3 8298 23.040 67.905 41.312 1.00 0.00 WT1 H ATOM 24172 OH2 TIP3 8299 66.422 25.676 8.695 1.00 0.00 WT1 O ATOM 24173 H1 TIP3 8299 66.960 26.309 8.219 1.00 0.00 WT1 H ATOM 24174 H2 TIP3 8299 65.567 26.098 8.772 1.00 0.00 WT1 H ATOM 24175 OH2 TIP3 8300 69.708 46.914 -17.851 1.00 0.00 WT1 O ATOM 24176 H1 TIP3 8300 70.301 47.459 -18.368 1.00 0.00 WT1 H ATOM 24177 H2 TIP3 8300 69.137 47.538 -17.403 1.00 0.00 WT1 H ATOM 24178 OH2 TIP3 8301 76.256 89.798 11.571 1.00 0.00 WT1 O ATOM 24179 H1 TIP3 8301 76.935 89.889 10.903 1.00 0.00 WT1 H ATOM 24180 H2 TIP3 8301 76.627 89.189 12.210 1.00 0.00 WT1 H ATOM 24181 OH2 TIP3 8302 51.998 42.197 21.871 1.00 0.00 WT1 O ATOM 24182 H1 TIP3 8302 52.098 43.145 21.792 1.00 0.00 WT1 H ATOM 24183 H2 TIP3 8302 51.570 41.932 21.056 1.00 0.00 WT1 H ATOM 24184 OH2 TIP3 8303 22.691 66.936 28.507 1.00 0.00 WT1 O ATOM 24185 H1 TIP3 8303 21.980 67.024 27.872 1.00 0.00 WT1 H ATOM 24186 H2 TIP3 8303 23.373 67.527 28.187 1.00 0.00 WT1 H ATOM 24187 OH2 TIP3 8304 45.368 30.355 33.869 1.00 0.00 WT1 O ATOM 24188 H1 TIP3 8304 45.019 31.215 34.104 1.00 0.00 WT1 H ATOM 24189 H2 TIP3 8304 46.296 30.403 34.096 1.00 0.00 WT1 H ATOM 24190 OH2 TIP3 8305 74.625 58.890 22.943 1.00 0.00 WT1 O ATOM 24191 H1 TIP3 8305 74.619 58.620 22.025 1.00 0.00 WT1 H ATOM 24192 H2 TIP3 8305 73.783 58.592 23.286 1.00 0.00 WT1 H ATOM 24193 OH2 TIP3 8306 75.652 61.327 43.281 1.00 0.00 WT1 O ATOM 24194 H1 TIP3 8306 74.788 61.090 43.615 1.00 0.00 WT1 H ATOM 24195 H2 TIP3 8306 76.160 61.547 44.062 1.00 0.00 WT1 H ATOM 24196 OH2 TIP3 8307 80.658 59.173 64.998 1.00 0.00 WT1 O ATOM 24197 H1 TIP3 8307 81.139 59.755 65.588 1.00 0.00 WT1 H ATOM 24198 H2 TIP3 8307 79.780 59.120 65.376 1.00 0.00 WT1 H ATOM 24199 OH2 TIP3 8308 37.378 69.768 -5.399 1.00 0.00 WT1 O ATOM 24200 H1 TIP3 8308 37.051 70.468 -5.965 1.00 0.00 WT1 H ATOM 24201 H2 TIP3 8308 38.165 70.134 -4.996 1.00 0.00 WT1 H ATOM 24202 OH2 TIP3 8309 28.904 0.926 -15.578 1.00 0.00 WT1 O ATOM 24203 H1 TIP3 8309 29.394 0.848 -16.397 1.00 0.00 WT1 H ATOM 24204 H2 TIP3 8309 28.038 1.236 -15.845 1.00 0.00 WT1 H ATOM 24205 OH2 TIP3 8310 46.355 30.995 2.496 1.00 0.00 WT1 O ATOM 24206 H1 TIP3 8310 46.323 31.574 3.257 1.00 0.00 WT1 H ATOM 24207 H2 TIP3 8310 47.003 30.329 2.728 1.00 0.00 WT1 H ATOM 24208 OH2 TIP3 8311 88.778 37.539 54.875 1.00 0.00 WT1 O ATOM 24209 H1 TIP3 8311 89.185 37.273 54.051 1.00 0.00 WT1 H ATOM 24210 H2 TIP3 8311 88.599 36.717 55.331 1.00 0.00 WT1 H ATOM 24211 OH2 TIP3 8312 69.139 22.460 -16.973 1.00 0.00 WT1 O ATOM 24212 H1 TIP3 8312 69.500 22.163 -17.808 1.00 0.00 WT1 H ATOM 24213 H2 TIP3 8312 69.485 21.843 -16.328 1.00 0.00 WT1 H ATOM 24214 OH2 TIP3 8313 53.370 69.510 24.219 1.00 0.00 WT1 O ATOM 24215 H1 TIP3 8313 53.613 68.960 23.474 1.00 0.00 WT1 H ATOM 24216 H2 TIP3 8313 53.769 70.359 24.030 1.00 0.00 WT1 H ATOM 24217 OH2 TIP3 8314 69.050 83.519 36.095 1.00 0.00 WT1 O ATOM 24218 H1 TIP3 8314 69.949 83.846 36.086 1.00 0.00 WT1 H ATOM 24219 H2 TIP3 8314 68.570 84.151 36.630 1.00 0.00 WT1 H ATOM 24220 OH2 TIP3 8315 71.909 77.136 53.697 1.00 0.00 WT1 O ATOM 24221 H1 TIP3 8315 71.901 77.760 54.423 1.00 0.00 WT1 H ATOM 24222 H2 TIP3 8315 71.052 77.239 53.283 1.00 0.00 WT1 H ATOM 24223 OH2 TIP3 8316 39.840 29.907 36.984 1.00 0.00 WT1 O ATOM 24224 H1 TIP3 8316 40.654 30.180 36.562 1.00 0.00 WT1 H ATOM 24225 H2 TIP3 8316 39.507 30.701 37.401 1.00 0.00 WT1 H ATOM 24226 OH2 TIP3 8317 80.815 22.636 -7.033 1.00 0.00 WT1 O ATOM 24227 H1 TIP3 8317 80.036 22.287 -6.599 1.00 0.00 WT1 H ATOM 24228 H2 TIP3 8317 80.587 23.541 -7.245 1.00 0.00 WT1 H ATOM 24229 OH2 TIP3 8319 33.925 7.421 35.564 1.00 0.00 WT1 O ATOM 24230 H1 TIP3 8319 33.286 6.738 35.767 1.00 0.00 WT1 H ATOM 24231 H2 TIP3 8319 33.622 8.186 36.052 1.00 0.00 WT1 H ATOM 24232 OH2 TIP3 8321 38.787 11.740 -10.344 1.00 0.00 WT1 O ATOM 24233 H1 TIP3 8321 38.374 12.331 -10.974 1.00 0.00 WT1 H ATOM 24234 H2 TIP3 8321 39.657 12.114 -10.199 1.00 0.00 WT1 H ATOM 24235 OH2 TIP3 8322 45.948 70.140 56.738 1.00 0.00 WT1 O ATOM 24236 H1 TIP3 8322 45.518 70.967 56.959 1.00 0.00 WT1 H ATOM 24237 H2 TIP3 8322 45.650 69.945 55.849 1.00 0.00 WT1 H ATOM 24238 OH2 TIP3 8323 40.980 38.783 -3.684 1.00 0.00 WT1 O ATOM 24239 H1 TIP3 8323 41.211 39.702 -3.547 1.00 0.00 WT1 H ATOM 24240 H2 TIP3 8323 41.448 38.534 -4.481 1.00 0.00 WT1 H ATOM 24241 OH2 TIP3 8324 28.076 15.775 30.472 1.00 0.00 WT1 O ATOM 24242 H1 TIP3 8324 28.368 14.900 30.726 1.00 0.00 WT1 H ATOM 24243 H2 TIP3 8324 28.313 15.849 29.548 1.00 0.00 WT1 H ATOM 24244 OH2 TIP3 8325 82.782 77.666 5.947 1.00 0.00 WT1 O ATOM 24245 H1 TIP3 8325 82.546 76.739 5.925 1.00 0.00 WT1 H ATOM 24246 H2 TIP3 8325 82.726 77.950 5.035 1.00 0.00 WT1 H ATOM 24247 OH2 TIP3 8326 62.799 72.157 1.313 1.00 0.00 WT1 O ATOM 24248 H1 TIP3 8326 63.198 71.340 1.613 1.00 0.00 WT1 H ATOM 24249 H2 TIP3 8326 62.219 72.418 2.029 1.00 0.00 WT1 H ATOM 24250 OH2 TIP3 8327 72.844 52.330 57.478 1.00 0.00 WT1 O ATOM 24251 H1 TIP3 8327 73.082 52.858 56.716 1.00 0.00 WT1 H ATOM 24252 H2 TIP3 8327 72.722 52.967 58.182 1.00 0.00 WT1 H ATOM 24253 OH2 TIP3 8328 25.889 3.217 35.199 1.00 0.00 WT1 O ATOM 24254 H1 TIP3 8328 25.824 2.455 35.774 1.00 0.00 WT1 H ATOM 24255 H2 TIP3 8328 26.571 3.759 35.594 1.00 0.00 WT1 H ATOM 24256 OH2 TIP3 8329 33.417 22.798 45.811 1.00 0.00 WT1 O ATOM 24257 H1 TIP3 8329 33.605 22.005 46.312 1.00 0.00 WT1 H ATOM 24258 H2 TIP3 8329 34.252 23.026 45.400 1.00 0.00 WT1 H ATOM 24259 OH2 TIP3 8330 24.702 67.640 16.972 1.00 0.00 WT1 O ATOM 24260 H1 TIP3 8330 24.084 67.258 17.595 1.00 0.00 WT1 H ATOM 24261 H2 TIP3 8330 25.507 67.137 17.092 1.00 0.00 WT1 H ATOM 24262 OH2 TIP3 8331 44.305 55.995 55.985 1.00 0.00 WT1 O ATOM 24263 H1 TIP3 8331 43.393 56.049 55.700 1.00 0.00 WT1 H ATOM 24264 H2 TIP3 8331 44.447 56.797 56.488 1.00 0.00 WT1 H ATOM 24265 OH2 TIP3 8332 25.891 85.325 64.737 1.00 0.00 WT1 O ATOM 24266 H1 TIP3 8332 26.060 84.420 64.474 1.00 0.00 WT1 H ATOM 24267 H2 TIP3 8332 26.757 85.732 64.764 1.00 0.00 WT1 H ATOM 24268 OH2 TIP3 8334 45.114 34.798 16.997 1.00 0.00 WT1 O ATOM 24269 H1 TIP3 8334 44.186 34.588 17.100 1.00 0.00 WT1 H ATOM 24270 H2 TIP3 8334 45.399 34.266 16.254 1.00 0.00 WT1 H ATOM 24271 OH2 TIP3 8335 32.791 71.454 41.925 1.00 0.00 WT1 O ATOM 24272 H1 TIP3 8335 32.691 70.628 42.399 1.00 0.00 WT1 H ATOM 24273 H2 TIP3 8335 33.474 71.279 41.278 1.00 0.00 WT1 H ATOM 24274 OH2 TIP3 8336 62.815 42.321 32.443 1.00 0.00 WT1 O ATOM 24275 H1 TIP3 8336 62.290 41.554 32.669 1.00 0.00 WT1 H ATOM 24276 H2 TIP3 8336 62.259 42.826 31.849 1.00 0.00 WT1 H ATOM 24277 OH2 TIP3 8338 21.313 54.305 52.317 1.00 0.00 WT1 O ATOM 24278 H1 TIP3 8338 21.809 55.121 52.392 1.00 0.00 WT1 H ATOM 24279 H2 TIP3 8338 21.248 54.150 51.375 1.00 0.00 WT1 H ATOM 24280 OH2 TIP3 8339 42.188 7.220 32.715 1.00 0.00 WT1 O ATOM 24281 H1 TIP3 8339 42.041 7.845 32.005 1.00 0.00 WT1 H ATOM 24282 H2 TIP3 8339 42.864 7.627 33.257 1.00 0.00 WT1 H ATOM 24283 OH2 TIP3 8341 64.888 29.536 57.408 1.00 0.00 WT1 O ATOM 24284 H1 TIP3 8341 64.631 29.837 58.280 1.00 0.00 WT1 H ATOM 24285 H2 TIP3 8341 64.092 29.618 56.882 1.00 0.00 WT1 H ATOM 24286 OH2 TIP3 8342 27.363 23.488 51.664 1.00 0.00 WT1 O ATOM 24287 H1 TIP3 8342 28.082 24.027 51.334 1.00 0.00 WT1 H ATOM 24288 H2 TIP3 8342 27.476 23.493 52.614 1.00 0.00 WT1 H ATOM 24289 OH2 TIP3 8344 80.557 73.387 8.365 1.00 0.00 WT1 O ATOM 24290 H1 TIP3 8344 79.842 72.814 8.086 1.00 0.00 WT1 H ATOM 24291 H2 TIP3 8344 80.748 73.113 9.262 1.00 0.00 WT1 H ATOM 24292 OH2 TIP3 8345 86.996 31.042 8.067 1.00 0.00 WT1 O ATOM 24293 H1 TIP3 8345 87.374 30.163 8.059 1.00 0.00 WT1 H ATOM 24294 H2 TIP3 8345 87.088 31.335 8.974 1.00 0.00 WT1 H ATOM 24295 OH2 TIP3 8346 41.794 66.508 58.989 1.00 0.00 WT1 O ATOM 24296 H1 TIP3 8346 42.541 66.573 59.584 1.00 0.00 WT1 H ATOM 24297 H2 TIP3 8346 41.925 67.216 58.359 1.00 0.00 WT1 H ATOM 24298 OH2 TIP3 8347 75.846 60.063 15.676 1.00 0.00 WT1 O ATOM 24299 H1 TIP3 8347 75.178 60.359 15.058 1.00 0.00 WT1 H ATOM 24300 H2 TIP3 8347 75.388 59.446 16.246 1.00 0.00 WT1 H ATOM 24301 OH2 TIP3 8348 22.814 2.718 2.108 1.00 0.00 WT1 O ATOM 24302 H1 TIP3 8348 22.394 2.333 2.877 1.00 0.00 WT1 H ATOM 24303 H2 TIP3 8348 23.438 2.053 1.817 1.00 0.00 WT1 H ATOM 24304 OH2 TIP3 8349 82.357 93.997 -2.558 1.00 0.00 WT1 O ATOM 24305 H1 TIP3 8349 81.867 93.524 -3.230 1.00 0.00 WT1 H ATOM 24306 H2 TIP3 8349 81.874 94.814 -2.438 1.00 0.00 WT1 H ATOM 24307 OH2 TIP3 8350 37.683 74.472 9.552 1.00 0.00 WT1 O ATOM 24308 H1 TIP3 8350 38.194 74.657 8.764 1.00 0.00 WT1 H ATOM 24309 H2 TIP3 8350 38.118 74.972 10.243 1.00 0.00 WT1 H ATOM 24310 OH2 TIP3 8351 40.710 30.105 30.188 1.00 0.00 WT1 O ATOM 24311 H1 TIP3 8351 41.541 29.656 30.343 1.00 0.00 WT1 H ATOM 24312 H2 TIP3 8351 40.824 30.967 30.587 1.00 0.00 WT1 H ATOM 24313 OH2 TIP3 8352 30.634 47.428 54.051 1.00 0.00 WT1 O ATOM 24314 H1 TIP3 8352 30.333 46.952 53.277 1.00 0.00 WT1 H ATOM 24315 H2 TIP3 8352 31.586 47.327 54.039 1.00 0.00 WT1 H ATOM 24316 OH2 TIP3 8353 87.060 29.378 32.277 1.00 0.00 WT1 O ATOM 24317 H1 TIP3 8353 87.750 29.720 31.708 1.00 0.00 WT1 H ATOM 24318 H2 TIP3 8353 86.245 29.661 31.863 1.00 0.00 WT1 H ATOM 24319 OH2 TIP3 8354 53.647 41.458 66.041 1.00 0.00 WT1 O ATOM 24320 H1 TIP3 8354 53.215 42.026 66.679 1.00 0.00 WT1 H ATOM 24321 H2 TIP3 8354 53.089 40.682 65.993 1.00 0.00 WT1 H ATOM 24322 OH2 TIP3 8355 64.339 12.843 -7.888 1.00 0.00 WT1 O ATOM 24323 H1 TIP3 8355 63.479 13.259 -7.819 1.00 0.00 WT1 H ATOM 24324 H2 TIP3 8355 64.170 12.016 -8.340 1.00 0.00 WT1 H ATOM 24325 OH2 TIP3 8356 53.610 2.690 7.605 1.00 0.00 WT1 O ATOM 24326 H1 TIP3 8356 53.341 2.446 8.491 1.00 0.00 WT1 H ATOM 24327 H2 TIP3 8356 53.440 3.631 7.553 1.00 0.00 WT1 H ATOM 24328 OH2 TIP3 8357 29.187 84.897 -18.706 1.00 0.00 WT1 O ATOM 24329 H1 TIP3 8357 28.530 85.594 -18.730 1.00 0.00 WT1 H ATOM 24330 H2 TIP3 8357 30.010 85.336 -18.921 1.00 0.00 WT1 H ATOM 24331 OH2 TIP3 8358 85.797 34.984 -17.946 1.00 0.00 WT1 O ATOM 24332 H1 TIP3 8358 86.729 35.117 -18.116 1.00 0.00 WT1 H ATOM 24333 H2 TIP3 8358 85.498 35.817 -17.583 1.00 0.00 WT1 H ATOM 24334 OH2 TIP3 8359 69.045 89.278 35.631 1.00 0.00 WT1 O ATOM 24335 H1 TIP3 8359 68.623 90.074 35.956 1.00 0.00 WT1 H ATOM 24336 H2 TIP3 8359 68.321 88.676 35.459 1.00 0.00 WT1 H ATOM 24337 OH2 TIP3 8360 38.166 3.769 56.300 1.00 0.00 WT1 O ATOM 24338 H1 TIP3 8360 38.821 3.071 56.332 1.00 0.00 WT1 H ATOM 24339 H2 TIP3 8360 37.703 3.625 55.475 1.00 0.00 WT1 H ATOM 24340 OH2 TIP3 8361 58.567 71.870 27.125 1.00 0.00 WT1 O ATOM 24341 H1 TIP3 8361 58.999 72.323 26.400 1.00 0.00 WT1 H ATOM 24342 H2 TIP3 8361 58.029 71.201 26.703 1.00 0.00 WT1 H ATOM 24343 OH2 TIP3 8362 69.483 38.651 48.533 1.00 0.00 WT1 O ATOM 24344 H1 TIP3 8362 69.940 39.121 47.836 1.00 0.00 WT1 H ATOM 24345 H2 TIP3 8362 69.196 39.336 49.137 1.00 0.00 WT1 H ATOM 24346 OH2 TIP3 8363 80.622 77.112 48.173 1.00 0.00 WT1 O ATOM 24347 H1 TIP3 8363 80.853 77.926 47.725 1.00 0.00 WT1 H ATOM 24348 H2 TIP3 8363 79.777 76.864 47.799 1.00 0.00 WT1 H ATOM 24349 OH2 TIP3 8364 24.558 90.611 2.088 1.00 0.00 WT1 O ATOM 24350 H1 TIP3 8364 23.889 90.173 2.615 1.00 0.00 WT1 H ATOM 24351 H2 TIP3 8364 25.264 90.799 2.706 1.00 0.00 WT1 H ATOM 24352 OH2 TIP3 8365 79.761 32.098 23.451 1.00 0.00 WT1 O ATOM 24353 H1 TIP3 8365 79.772 32.238 22.504 1.00 0.00 WT1 H ATOM 24354 H2 TIP3 8365 79.012 32.607 23.761 1.00 0.00 WT1 H ATOM 24355 OH2 TIP3 8366 68.724 38.704 4.437 1.00 0.00 WT1 O ATOM 24356 H1 TIP3 8366 69.123 39.392 4.970 1.00 0.00 WT1 H ATOM 24357 H2 TIP3 8366 68.134 38.247 5.037 1.00 0.00 WT1 H ATOM 24358 OH2 TIP3 8367 49.063 32.973 1.970 1.00 0.00 WT1 O ATOM 24359 H1 TIP3 8367 48.910 32.827 1.037 1.00 0.00 WT1 H ATOM 24360 H2 TIP3 8367 48.244 32.713 2.391 1.00 0.00 WT1 H ATOM 24361 OH2 TIP3 8368 88.693 87.772 -9.391 1.00 0.00 WT1 O ATOM 24362 H1 TIP3 8368 89.104 88.045 -8.571 1.00 0.00 WT1 H ATOM 24363 H2 TIP3 8368 87.926 88.338 -9.474 1.00 0.00 WT1 H ATOM 24364 OH2 TIP3 8369 68.194 52.280 5.646 1.00 0.00 WT1 O ATOM 24365 H1 TIP3 8369 68.851 52.625 6.250 1.00 0.00 WT1 H ATOM 24366 H2 TIP3 8369 67.355 52.498 6.053 1.00 0.00 WT1 H ATOM 24367 OH2 TIP3 8370 71.978 16.013 8.345 1.00 0.00 WT1 O ATOM 24368 H1 TIP3 8370 72.372 16.847 8.088 1.00 0.00 WT1 H ATOM 24369 H2 TIP3 8370 72.179 15.419 7.622 1.00 0.00 WT1 H ATOM 24370 OH2 TIP3 8371 32.109 87.954 32.902 1.00 0.00 WT1 O ATOM 24371 H1 TIP3 8371 32.679 88.721 32.944 1.00 0.00 WT1 H ATOM 24372 H2 TIP3 8371 31.291 88.283 32.528 1.00 0.00 WT1 H ATOM 24373 OH2 TIP3 8372 38.309 78.969 51.840 1.00 0.00 WT1 O ATOM 24374 H1 TIP3 8372 38.443 79.913 51.916 1.00 0.00 WT1 H ATOM 24375 H2 TIP3 8372 37.358 78.860 51.830 1.00 0.00 WT1 H ATOM 24376 OH2 TIP3 8373 51.373 81.925 38.123 1.00 0.00 WT1 O ATOM 24377 H1 TIP3 8373 51.057 82.797 37.887 1.00 0.00 WT1 H ATOM 24378 H2 TIP3 8373 50.869 81.329 37.569 1.00 0.00 WT1 H ATOM 24379 OH2 TIP3 8374 81.429 24.355 -11.551 1.00 0.00 WT1 O ATOM 24380 H1 TIP3 8374 80.476 24.305 -11.490 1.00 0.00 WT1 H ATOM 24381 H2 TIP3 8374 81.637 25.264 -11.331 1.00 0.00 WT1 H ATOM 24382 OH2 TIP3 8375 79.814 72.854 -8.645 1.00 0.00 WT1 O ATOM 24383 H1 TIP3 8375 80.034 73.750 -8.389 1.00 0.00 WT1 H ATOM 24384 H2 TIP3 8375 78.929 72.718 -8.308 1.00 0.00 WT1 H ATOM 24385 OH2 TIP3 8376 80.950 82.597 -17.320 1.00 0.00 WT1 O ATOM 24386 H1 TIP3 8376 81.895 82.698 -17.431 1.00 0.00 WT1 H ATOM 24387 H2 TIP3 8376 80.775 82.934 -16.441 1.00 0.00 WT1 H ATOM 24388 OH2 TIP3 8377 61.492 18.958 18.063 1.00 0.00 WT1 O ATOM 24389 H1 TIP3 8377 62.267 19.200 17.556 1.00 0.00 WT1 H ATOM 24390 H2 TIP3 8377 61.217 19.773 18.483 1.00 0.00 WT1 H ATOM 24391 OH2 TIP3 8378 43.080 16.410 -9.491 1.00 0.00 WT1 O ATOM 24392 H1 TIP3 8378 42.376 16.525 -8.853 1.00 0.00 WT1 H ATOM 24393 H2 TIP3 8378 43.363 15.503 -9.374 1.00 0.00 WT1 H ATOM 24394 OH2 TIP3 8379 73.632 54.940 3.077 1.00 0.00 WT1 O ATOM 24395 H1 TIP3 8379 73.778 55.802 3.467 1.00 0.00 WT1 H ATOM 24396 H2 TIP3 8379 72.917 54.563 3.589 1.00 0.00 WT1 H ATOM 24397 OH2 TIP3 8380 23.096 15.125 -13.395 1.00 0.00 WT1 O ATOM 24398 H1 TIP3 8380 23.172 16.039 -13.666 1.00 0.00 WT1 H ATOM 24399 H2 TIP3 8380 23.807 14.678 -13.855 1.00 0.00 WT1 H ATOM 24400 OH2 TIP3 8381 82.043 60.705 -15.239 1.00 0.00 WT1 O ATOM 24401 H1 TIP3 8381 81.851 60.250 -14.419 1.00 0.00 WT1 H ATOM 24402 H2 TIP3 8381 82.634 60.116 -15.708 1.00 0.00 WT1 H ATOM 24403 OH2 TIP3 8382 45.294 88.580 9.226 1.00 0.00 WT1 O ATOM 24404 H1 TIP3 8382 45.797 88.121 9.899 1.00 0.00 WT1 H ATOM 24405 H2 TIP3 8382 44.886 87.882 8.714 1.00 0.00 WT1 H ATOM 24406 OH2 TIP3 8383 81.543 7.507 44.729 1.00 0.00 WT1 O ATOM 24407 H1 TIP3 8383 81.415 6.571 44.575 1.00 0.00 WT1 H ATOM 24408 H2 TIP3 8383 81.891 7.559 45.619 1.00 0.00 WT1 H ATOM 24409 OH2 TIP3 8384 72.346 82.028 23.852 1.00 0.00 WT1 O ATOM 24410 H1 TIP3 8384 72.098 81.375 23.197 1.00 0.00 WT1 H ATOM 24411 H2 TIP3 8384 72.938 82.620 23.388 1.00 0.00 WT1 H ATOM 24412 OH2 TIP3 8385 25.610 5.749 42.667 1.00 0.00 WT1 O ATOM 24413 H1 TIP3 8385 26.221 5.951 43.375 1.00 0.00 WT1 H ATOM 24414 H2 TIP3 8385 25.311 4.859 42.854 1.00 0.00 WT1 H ATOM 24415 OH2 TIP3 8386 24.749 82.381 26.945 1.00 0.00 WT1 O ATOM 24416 H1 TIP3 8386 25.333 82.467 27.698 1.00 0.00 WT1 H ATOM 24417 H2 TIP3 8386 25.197 81.768 26.361 1.00 0.00 WT1 H ATOM 24418 OH2 TIP3 8387 23.587 83.935 -14.195 1.00 0.00 WT1 O ATOM 24419 H1 TIP3 8387 23.572 83.003 -13.978 1.00 0.00 WT1 H ATOM 24420 H2 TIP3 8387 23.325 84.375 -13.386 1.00 0.00 WT1 H ATOM 24421 OH2 TIP3 8388 52.873 24.585 2.915 1.00 0.00 WT1 O ATOM 24422 H1 TIP3 8388 53.613 24.050 3.203 1.00 0.00 WT1 H ATOM 24423 H2 TIP3 8388 52.732 25.205 3.631 1.00 0.00 WT1 H ATOM 24424 OH2 TIP3 8389 29.112 88.048 38.035 1.00 0.00 WT1 O ATOM 24425 H1 TIP3 8389 29.736 88.216 38.741 1.00 0.00 WT1 H ATOM 24426 H2 TIP3 8389 28.957 87.104 38.071 1.00 0.00 WT1 H ATOM 24427 OH2 TIP3 8390 52.033 69.206 63.217 1.00 0.00 WT1 O ATOM 24428 H1 TIP3 8390 51.953 69.460 64.136 1.00 0.00 WT1 H ATOM 24429 H2 TIP3 8390 52.976 69.130 63.070 1.00 0.00 WT1 H ATOM 24430 OH2 TIP3 8391 47.602 14.943 39.588 1.00 0.00 WT1 O ATOM 24431 H1 TIP3 8391 46.710 14.698 39.342 1.00 0.00 WT1 H ATOM 24432 H2 TIP3 8391 47.520 15.831 39.935 1.00 0.00 WT1 H ATOM 24433 OH2 TIP3 8392 71.744 9.993 13.055 1.00 0.00 WT1 O ATOM 24434 H1 TIP3 8392 72.660 10.033 13.330 1.00 0.00 WT1 H ATOM 24435 H2 TIP3 8392 71.295 9.556 13.778 1.00 0.00 WT1 H ATOM 24436 OH2 TIP3 8393 72.955 30.871 50.142 1.00 0.00 WT1 O ATOM 24437 H1 TIP3 8393 73.427 30.089 49.856 1.00 0.00 WT1 H ATOM 24438 H2 TIP3 8393 72.033 30.618 50.115 1.00 0.00 WT1 H ATOM 24439 OH2 TIP3 8394 30.619 63.002 21.970 1.00 0.00 WT1 O ATOM 24440 H1 TIP3 8394 30.918 63.566 22.683 1.00 0.00 WT1 H ATOM 24441 H2 TIP3 8394 31.151 63.262 21.218 1.00 0.00 WT1 H ATOM 24442 OH2 TIP3 8396 65.365 89.271 6.165 1.00 0.00 WT1 O ATOM 24443 H1 TIP3 8396 64.505 89.297 6.585 1.00 0.00 WT1 H ATOM 24444 H2 TIP3 8396 65.176 89.323 5.228 1.00 0.00 WT1 H ATOM 24445 OH2 TIP3 8397 84.314 87.329 48.204 1.00 0.00 WT1 O ATOM 24446 H1 TIP3 8397 83.813 88.141 48.132 1.00 0.00 WT1 H ATOM 24447 H2 TIP3 8397 83.764 86.755 48.738 1.00 0.00 WT1 H ATOM 24448 OH2 TIP3 8398 44.884 54.200 40.842 1.00 0.00 WT1 O ATOM 24449 H1 TIP3 8398 45.335 54.381 40.017 1.00 0.00 WT1 H ATOM 24450 H2 TIP3 8398 44.915 55.029 41.319 1.00 0.00 WT1 H ATOM 24451 OH2 TIP3 8399 53.981 85.323 34.434 1.00 0.00 WT1 O ATOM 24452 H1 TIP3 8399 54.572 86.075 34.394 1.00 0.00 WT1 H ATOM 24453 H2 TIP3 8399 54.446 84.628 33.967 1.00 0.00 WT1 H ATOM 24454 OH2 TIP3 8400 56.769 11.564 15.430 1.00 0.00 WT1 O ATOM 24455 H1 TIP3 8400 56.790 11.138 16.286 1.00 0.00 WT1 H ATOM 24456 H2 TIP3 8400 57.331 12.333 15.531 1.00 0.00 WT1 H ATOM 24457 OH2 TIP3 8401 21.484 52.244 54.159 1.00 0.00 WT1 O ATOM 24458 H1 TIP3 8401 20.896 52.458 54.883 1.00 0.00 WT1 H ATOM 24459 H2 TIP3 8401 21.318 52.924 53.505 1.00 0.00 WT1 H ATOM 24460 OH2 TIP3 8402 39.114 86.912 61.466 1.00 0.00 WT1 O ATOM 24461 H1 TIP3 8402 38.206 87.099 61.227 1.00 0.00 WT1 H ATOM 24462 H2 TIP3 8402 39.634 87.352 60.793 1.00 0.00 WT1 H ATOM 24463 OH2 TIP3 8403 59.302 35.178 -9.951 1.00 0.00 WT1 O ATOM 24464 H1 TIP3 8403 59.066 36.047 -10.276 1.00 0.00 WT1 H ATOM 24465 H2 TIP3 8403 58.503 34.660 -10.053 1.00 0.00 WT1 H ATOM 24466 OH2 TIP3 8404 80.917 50.300 36.928 1.00 0.00 WT1 O ATOM 24467 H1 TIP3 8404 80.807 51.024 37.544 1.00 0.00 WT1 H ATOM 24468 H2 TIP3 8404 80.644 50.661 36.084 1.00 0.00 WT1 H ATOM 24469 OH2 TIP3 8405 31.800 23.546 36.950 1.00 0.00 WT1 O ATOM 24470 H1 TIP3 8405 31.631 24.476 36.799 1.00 0.00 WT1 H ATOM 24471 H2 TIP3 8405 31.971 23.189 36.079 1.00 0.00 WT1 H ATOM 24472 OH2 TIP3 8406 78.676 16.370 -0.610 1.00 0.00 WT1 O ATOM 24473 H1 TIP3 8406 78.632 15.440 -0.833 1.00 0.00 WT1 H ATOM 24474 H2 TIP3 8406 79.454 16.447 -0.058 1.00 0.00 WT1 H ATOM 24475 OH2 TIP3 8407 32.963 81.774 4.765 1.00 0.00 WT1 O ATOM 24476 H1 TIP3 8407 33.483 82.496 4.413 1.00 0.00 WT1 H ATOM 24477 H2 TIP3 8407 32.528 81.396 4.001 1.00 0.00 WT1 H ATOM 24478 OH2 TIP3 8408 26.817 32.437 -4.453 1.00 0.00 WT1 O ATOM 24479 H1 TIP3 8408 26.908 32.683 -5.373 1.00 0.00 WT1 H ATOM 24480 H2 TIP3 8408 25.992 32.837 -4.178 1.00 0.00 WT1 H ATOM 24481 OH2 TIP3 8409 27.544 6.657 16.706 1.00 0.00 WT1 O ATOM 24482 H1 TIP3 8409 28.410 6.737 17.106 1.00 0.00 WT1 H ATOM 24483 H2 TIP3 8409 27.367 5.716 16.702 1.00 0.00 WT1 H ATOM 24484 OH2 TIP3 8410 25.236 71.689 -3.001 1.00 0.00 WT1 O ATOM 24485 H1 TIP3 8410 25.962 71.157 -2.676 1.00 0.00 WT1 H ATOM 24486 H2 TIP3 8410 24.945 72.188 -2.238 1.00 0.00 WT1 H ATOM 24487 OH2 TIP3 8411 86.750 9.014 55.637 1.00 0.00 WT1 O ATOM 24488 H1 TIP3 8411 85.916 9.483 55.589 1.00 0.00 WT1 H ATOM 24489 H2 TIP3 8411 86.721 8.398 54.905 1.00 0.00 WT1 H ATOM 24490 OH2 TIP3 8412 27.064 2.202 61.481 1.00 0.00 WT1 O ATOM 24491 H1 TIP3 8412 27.194 2.688 60.667 1.00 0.00 WT1 H ATOM 24492 H2 TIP3 8412 27.911 1.790 61.652 1.00 0.00 WT1 H ATOM 24493 OH2 TIP3 8413 68.240 73.118 16.961 1.00 0.00 WT1 O ATOM 24494 H1 TIP3 8413 68.017 72.755 17.818 1.00 0.00 WT1 H ATOM 24495 H2 TIP3 8413 67.580 72.758 16.369 1.00 0.00 WT1 H ATOM 24496 OH2 TIP3 8414 57.373 15.442 1.179 1.00 0.00 WT1 O ATOM 24497 H1 TIP3 8414 57.423 16.088 0.475 1.00 0.00 WT1 H ATOM 24498 H2 TIP3 8414 56.811 15.849 1.838 1.00 0.00 WT1 H ATOM 24499 OH2 TIP3 8415 55.550 77.195 58.325 1.00 0.00 WT1 O ATOM 24500 H1 TIP3 8415 54.726 76.756 58.115 1.00 0.00 WT1 H ATOM 24501 H2 TIP3 8415 55.908 76.696 59.059 1.00 0.00 WT1 H ATOM 24502 OH2 TIP3 8416 77.537 26.355 23.373 1.00 0.00 WT1 O ATOM 24503 H1 TIP3 8416 77.037 26.119 24.155 1.00 0.00 WT1 H ATOM 24504 H2 TIP3 8416 78.229 26.932 23.696 1.00 0.00 WT1 H ATOM 24505 OH2 TIP3 8417 23.719 2.706 11.181 1.00 0.00 WT1 O ATOM 24506 H1 TIP3 8417 23.826 1.780 11.397 1.00 0.00 WT1 H ATOM 24507 H2 TIP3 8417 23.472 3.119 12.008 1.00 0.00 WT1 H ATOM 24508 OH2 TIP3 8418 81.008 89.766 14.152 1.00 0.00 WT1 O ATOM 24509 H1 TIP3 8418 81.815 89.297 14.364 1.00 0.00 WT1 H ATOM 24510 H2 TIP3 8418 80.869 90.353 14.896 1.00 0.00 WT1 H ATOM 24511 OH2 TIP3 8419 82.310 15.226 66.943 1.00 0.00 WT1 O ATOM 24512 H1 TIP3 8419 82.920 14.626 66.515 1.00 0.00 WT1 H ATOM 24513 H2 TIP3 8419 82.793 15.563 67.697 1.00 0.00 WT1 H ATOM 24514 OH2 TIP3 8420 59.167 38.778 38.801 1.00 0.00 WT1 O ATOM 24515 H1 TIP3 8420 59.177 39.733 38.742 1.00 0.00 WT1 H ATOM 24516 H2 TIP3 8420 58.462 38.509 38.212 1.00 0.00 WT1 H ATOM 24517 OH2 TIP3 8422 72.560 93.189 45.003 1.00 0.00 WT1 O ATOM 24518 H1 TIP3 8422 71.770 93.093 45.535 1.00 0.00 WT1 H ATOM 24519 H2 TIP3 8422 72.505 94.077 44.649 1.00 0.00 WT1 H ATOM 24520 OH2 TIP3 8423 57.137 67.639 48.331 1.00 0.00 WT1 O ATOM 24521 H1 TIP3 8423 57.094 67.256 47.455 1.00 0.00 WT1 H ATOM 24522 H2 TIP3 8423 56.641 68.455 48.261 1.00 0.00 WT1 H ATOM 24523 OH2 TIP3 8424 59.666 29.534 39.765 1.00 0.00 WT1 O ATOM 24524 H1 TIP3 8424 59.007 29.917 40.344 1.00 0.00 WT1 H ATOM 24525 H2 TIP3 8424 59.508 29.945 38.916 1.00 0.00 WT1 H ATOM 24526 OH2 TIP3 8425 52.807 71.216 -19.253 1.00 0.00 WT1 O ATOM 24527 H1 TIP3 8425 53.290 71.876 -18.755 1.00 0.00 WT1 H ATOM 24528 H2 TIP3 8425 52.003 71.078 -18.752 1.00 0.00 WT1 H ATOM 24529 OH2 TIP3 8426 27.917 48.715 21.140 1.00 0.00 WT1 O ATOM 24530 H1 TIP3 8426 28.635 48.889 20.531 1.00 0.00 WT1 H ATOM 24531 H2 TIP3 8426 28.251 48.027 21.715 1.00 0.00 WT1 H ATOM 24532 OH2 TIP3 8427 70.156 41.584 -17.217 1.00 0.00 WT1 O ATOM 24533 H1 TIP3 8427 69.519 42.017 -17.786 1.00 0.00 WT1 H ATOM 24534 H2 TIP3 8427 70.365 42.238 -16.550 1.00 0.00 WT1 H ATOM 24535 OH2 TIP3 8428 68.729 48.012 10.825 1.00 0.00 WT1 O ATOM 24536 H1 TIP3 8428 69.212 47.670 11.577 1.00 0.00 WT1 H ATOM 24537 H2 TIP3 8428 67.932 48.385 11.201 1.00 0.00 WT1 H ATOM 24538 OH2 TIP3 8429 80.047 19.980 -4.345 1.00 0.00 WT1 O ATOM 24539 H1 TIP3 8429 80.147 19.044 -4.172 1.00 0.00 WT1 H ATOM 24540 H2 TIP3 8429 80.740 20.394 -3.831 1.00 0.00 WT1 H ATOM 24541 OH2 TIP3 8430 49.879 38.011 0.320 1.00 0.00 WT1 O ATOM 24542 H1 TIP3 8430 49.340 37.619 1.007 1.00 0.00 WT1 H ATOM 24543 H2 TIP3 8430 50.173 38.843 0.691 1.00 0.00 WT1 H ATOM 24544 OH2 TIP3 8431 65.887 75.710 -4.644 1.00 0.00 WT1 O ATOM 24545 H1 TIP3 8431 65.509 75.761 -3.766 1.00 0.00 WT1 H ATOM 24546 H2 TIP3 8431 65.155 75.458 -5.207 1.00 0.00 WT1 H ATOM 24547 OH2 TIP3 8432 36.864 3.750 7.863 1.00 0.00 WT1 O ATOM 24548 H1 TIP3 8432 36.384 3.468 8.642 1.00 0.00 WT1 H ATOM 24549 H2 TIP3 8432 37.461 3.027 7.674 1.00 0.00 WT1 H ATOM 24550 OH2 TIP3 8433 40.904 24.365 23.358 1.00 0.00 WT1 O ATOM 24551 H1 TIP3 8433 40.423 25.147 23.630 1.00 0.00 WT1 H ATOM 24552 H2 TIP3 8433 41.150 24.539 22.449 1.00 0.00 WT1 H ATOM 24553 OH2 TIP3 8434 43.508 9.257 18.950 1.00 0.00 WT1 O ATOM 24554 H1 TIP3 8434 44.032 8.684 19.510 1.00 0.00 WT1 H ATOM 24555 H2 TIP3 8434 43.397 10.058 19.462 1.00 0.00 WT1 H ATOM 24556 OH2 TIP3 8435 56.641 25.331 65.152 1.00 0.00 WT1 O ATOM 24557 H1 TIP3 8435 57.429 24.843 65.391 1.00 0.00 WT1 H ATOM 24558 H2 TIP3 8435 55.976 25.032 65.773 1.00 0.00 WT1 H ATOM 24559 OH2 TIP3 8436 36.784 12.274 8.332 1.00 0.00 WT1 O ATOM 24560 H1 TIP3 8436 36.638 12.266 7.386 1.00 0.00 WT1 H ATOM 24561 H2 TIP3 8436 35.951 11.984 8.706 1.00 0.00 WT1 H ATOM 24562 OH2 TIP3 8437 24.009 10.179 32.445 1.00 0.00 WT1 O ATOM 24563 H1 TIP3 8437 23.987 10.741 31.671 1.00 0.00 WT1 H ATOM 24564 H2 TIP3 8437 23.094 10.114 32.720 1.00 0.00 WT1 H ATOM 24565 OH2 TIP3 8438 60.008 38.161 53.635 1.00 0.00 WT1 O ATOM 24566 H1 TIP3 8438 60.444 38.012 52.796 1.00 0.00 WT1 H ATOM 24567 H2 TIP3 8438 59.075 38.168 53.423 1.00 0.00 WT1 H ATOM 24568 OH2 TIP3 8439 63.382 25.619 51.077 1.00 0.00 WT1 O ATOM 24569 H1 TIP3 8439 63.579 26.096 50.271 1.00 0.00 WT1 H ATOM 24570 H2 TIP3 8439 62.844 24.880 50.793 1.00 0.00 WT1 H ATOM 24571 OH2 TIP3 8441 76.078 31.680 55.465 1.00 0.00 WT1 O ATOM 24572 H1 TIP3 8441 76.039 30.854 54.984 1.00 0.00 WT1 H ATOM 24573 H2 TIP3 8441 76.076 31.421 56.387 1.00 0.00 WT1 H ATOM 24574 OH2 TIP3 8442 76.285 81.236 64.059 1.00 0.00 WT1 O ATOM 24575 H1 TIP3 8442 76.591 80.368 63.795 1.00 0.00 WT1 H ATOM 24576 H2 TIP3 8442 75.590 81.445 63.435 1.00 0.00 WT1 H ATOM 24577 OH2 TIP3 8443 65.779 50.227 23.305 1.00 0.00 WT1 O ATOM 24578 H1 TIP3 8443 65.334 50.910 23.808 1.00 0.00 WT1 H ATOM 24579 H2 TIP3 8443 65.142 49.966 22.640 1.00 0.00 WT1 H ATOM 24580 OH2 TIP3 8444 37.330 18.635 19.808 1.00 0.00 WT1 O ATOM 24581 H1 TIP3 8444 38.244 18.609 19.526 1.00 0.00 WT1 H ATOM 24582 H2 TIP3 8444 36.827 18.580 18.995 1.00 0.00 WT1 H ATOM 24583 OH2 TIP3 8445 90.328 38.650 17.440 1.00 0.00 WT1 O ATOM 24584 H1 TIP3 8445 89.372 38.612 17.409 1.00 0.00 WT1 H ATOM 24585 H2 TIP3 8445 90.524 39.085 18.270 1.00 0.00 WT1 H ATOM 24586 OH2 TIP3 8446 56.911 10.406 18.354 1.00 0.00 WT1 O ATOM 24587 H1 TIP3 8446 57.598 10.048 17.791 1.00 0.00 WT1 H ATOM 24588 H2 TIP3 8446 57.318 11.159 18.782 1.00 0.00 WT1 H ATOM 24589 OH2 TIP3 8448 28.716 42.037 -3.730 1.00 0.00 WT1 O ATOM 24590 H1 TIP3 8448 29.470 42.602 -3.562 1.00 0.00 WT1 H ATOM 24591 H2 TIP3 8448 28.463 41.711 -2.867 1.00 0.00 WT1 H ATOM 24592 OH2 TIP3 8450 86.487 81.950 -3.379 1.00 0.00 WT1 O ATOM 24593 H1 TIP3 8450 86.473 81.034 -3.100 1.00 0.00 WT1 H ATOM 24594 H2 TIP3 8450 86.625 82.444 -2.571 1.00 0.00 WT1 H ATOM 24595 OH2 TIP3 8451 31.326 89.166 60.624 1.00 0.00 WT1 O ATOM 24596 H1 TIP3 8451 31.153 88.280 60.940 1.00 0.00 WT1 H ATOM 24597 H2 TIP3 8451 30.610 89.349 60.016 1.00 0.00 WT1 H ATOM 24598 OH2 TIP3 8453 27.930 2.727 4.857 1.00 0.00 WT1 O ATOM 24599 H1 TIP3 8453 27.926 2.288 4.006 1.00 0.00 WT1 H ATOM 24600 H2 TIP3 8453 27.272 2.260 5.372 1.00 0.00 WT1 H ATOM 24601 OH2 TIP3 8454 84.800 18.143 7.296 1.00 0.00 WT1 O ATOM 24602 H1 TIP3 8454 85.498 18.781 7.442 1.00 0.00 WT1 H ATOM 24603 H2 TIP3 8454 84.096 18.420 7.881 1.00 0.00 WT1 H ATOM 24604 OH2 TIP3 8455 29.935 44.803 28.289 1.00 0.00 WT1 O ATOM 24605 H1 TIP3 8455 30.572 44.793 27.575 1.00 0.00 WT1 H ATOM 24606 H2 TIP3 8455 29.162 45.225 27.915 1.00 0.00 WT1 H ATOM 24607 OH2 TIP3 8456 41.823 3.761 17.354 1.00 0.00 WT1 O ATOM 24608 H1 TIP3 8456 42.714 3.420 17.431 1.00 0.00 WT1 H ATOM 24609 H2 TIP3 8456 41.327 3.048 16.952 1.00 0.00 WT1 H ATOM 24610 OH2 TIP3 8457 82.074 11.128 -5.850 1.00 0.00 WT1 O ATOM 24611 H1 TIP3 8457 82.807 10.783 -5.339 1.00 0.00 WT1 H ATOM 24612 H2 TIP3 8457 82.051 12.061 -5.635 1.00 0.00 WT1 H ATOM 24613 OH2 TIP3 8458 35.459 77.146 53.672 1.00 0.00 WT1 O ATOM 24614 H1 TIP3 8458 36.182 77.544 54.157 1.00 0.00 WT1 H ATOM 24615 H2 TIP3 8458 35.420 77.639 52.852 1.00 0.00 WT1 H ATOM 24616 OH2 TIP3 8459 60.989 83.553 4.925 1.00 0.00 WT1 O ATOM 24617 H1 TIP3 8459 61.266 82.721 5.308 1.00 0.00 WT1 H ATOM 24618 H2 TIP3 8459 60.033 83.504 4.910 1.00 0.00 WT1 H ATOM 24619 OH2 TIP3 8460 44.608 63.118 43.175 1.00 0.00 WT1 O ATOM 24620 H1 TIP3 8460 45.343 63.526 42.717 1.00 0.00 WT1 H ATOM 24621 H2 TIP3 8460 45.017 62.504 43.785 1.00 0.00 WT1 H ATOM 24622 OH2 TIP3 8461 49.495 94.484 67.117 1.00 0.00 WT1 O ATOM 24623 H1 TIP3 8461 49.823 93.957 66.388 1.00 0.00 WT1 H ATOM 24624 H2 TIP3 8461 50.283 94.838 67.530 1.00 0.00 WT1 H ATOM 24625 OH2 TIP3 8462 24.124 14.525 58.766 1.00 0.00 WT1 O ATOM 24626 H1 TIP3 8462 23.639 13.734 58.530 1.00 0.00 WT1 H ATOM 24627 H2 TIP3 8462 25.032 14.329 58.532 1.00 0.00 WT1 H ATOM 24628 OH2 TIP3 8463 71.924 18.991 34.745 1.00 0.00 WT1 O ATOM 24629 H1 TIP3 8463 72.677 19.518 34.479 1.00 0.00 WT1 H ATOM 24630 H2 TIP3 8463 72.193 18.589 35.571 1.00 0.00 WT1 H ATOM 24631 OH2 TIP3 8464 41.453 85.545 39.940 1.00 0.00 WT1 O ATOM 24632 H1 TIP3 8464 42.176 85.398 39.330 1.00 0.00 WT1 H ATOM 24633 H2 TIP3 8464 41.388 84.730 40.437 1.00 0.00 WT1 H ATOM 24634 OH2 TIP3 8465 68.304 28.034 -7.194 1.00 0.00 WT1 O ATOM 24635 H1 TIP3 8465 67.909 27.245 -7.564 1.00 0.00 WT1 H ATOM 24636 H2 TIP3 8465 67.678 28.731 -7.390 1.00 0.00 WT1 H ATOM 24637 OH2 TIP3 8466 85.352 92.137 53.690 1.00 0.00 WT1 O ATOM 24638 H1 TIP3 8466 85.333 91.255 54.061 1.00 0.00 WT1 H ATOM 24639 H2 TIP3 8466 84.583 92.175 53.121 1.00 0.00 WT1 H ATOM 24640 OH2 TIP3 8467 42.296 5.879 66.983 1.00 0.00 WT1 O ATOM 24641 H1 TIP3 8467 42.174 6.811 66.802 1.00 0.00 WT1 H ATOM 24642 H2 TIP3 8467 42.646 5.520 66.168 1.00 0.00 WT1 H ATOM 24643 OH2 TIP3 8468 28.173 31.167 61.779 1.00 0.00 WT1 O ATOM 24644 H1 TIP3 8468 28.007 31.522 62.653 1.00 0.00 WT1 H ATOM 24645 H2 TIP3 8468 29.057 30.802 61.833 1.00 0.00 WT1 H ATOM 24646 OH2 TIP3 8469 64.649 25.177 31.846 1.00 0.00 WT1 O ATOM 24647 H1 TIP3 8469 64.125 25.470 32.592 1.00 0.00 WT1 H ATOM 24648 H2 TIP3 8469 64.649 25.922 31.246 1.00 0.00 WT1 H ATOM 24649 OH2 TIP3 8470 20.761 44.167 -8.707 1.00 0.00 WT1 O ATOM 24650 H1 TIP3 8470 20.711 43.734 -7.854 1.00 0.00 WT1 H ATOM 24651 H2 TIP3 8470 21.446 44.828 -8.600 1.00 0.00 WT1 H ATOM 24652 OH2 TIP3 8471 25.896 36.570 10.862 1.00 0.00 WT1 O ATOM 24653 H1 TIP3 8471 24.986 36.845 10.750 1.00 0.00 WT1 H ATOM 24654 H2 TIP3 8471 26.383 37.387 10.965 1.00 0.00 WT1 H ATOM 24655 OH2 TIP3 8472 28.641 22.903 -4.932 1.00 0.00 WT1 O ATOM 24656 H1 TIP3 8472 29.153 23.584 -5.369 1.00 0.00 WT1 H ATOM 24657 H2 TIP3 8472 28.888 22.973 -4.009 1.00 0.00 WT1 H ATOM 24658 OH2 TIP3 8473 78.370 31.673 30.846 1.00 0.00 WT1 O ATOM 24659 H1 TIP3 8473 77.694 31.466 30.200 1.00 0.00 WT1 H ATOM 24660 H2 TIP3 8473 78.605 32.583 30.664 1.00 0.00 WT1 H ATOM 24661 OH2 TIP3 8474 32.822 28.976 33.413 1.00 0.00 WT1 O ATOM 24662 H1 TIP3 8474 32.769 29.926 33.520 1.00 0.00 WT1 H ATOM 24663 H2 TIP3 8474 33.251 28.855 32.566 1.00 0.00 WT1 H ATOM 24664 OH2 TIP3 8475 40.306 42.300 0.645 1.00 0.00 WT1 O ATOM 24665 H1 TIP3 8475 40.900 41.558 0.539 1.00 0.00 WT1 H ATOM 24666 H2 TIP3 8475 40.636 42.763 1.415 1.00 0.00 WT1 H ATOM 24667 OH2 TIP3 8476 23.941 28.534 25.044 1.00 0.00 WT1 O ATOM 24668 H1 TIP3 8476 24.709 28.154 24.617 1.00 0.00 WT1 H ATOM 24669 H2 TIP3 8476 23.758 29.329 24.543 1.00 0.00 WT1 H ATOM 24670 OH2 TIP3 8477 24.694 10.733 63.731 1.00 0.00 WT1 O ATOM 24671 H1 TIP3 8477 25.099 9.891 63.935 1.00 0.00 WT1 H ATOM 24672 H2 TIP3 8477 24.932 11.298 64.466 1.00 0.00 WT1 H ATOM 24673 OH2 TIP3 8478 79.197 76.675 45.044 1.00 0.00 WT1 O ATOM 24674 H1 TIP3 8478 78.567 76.152 45.540 1.00 0.00 WT1 H ATOM 24675 H2 TIP3 8478 79.823 76.037 44.702 1.00 0.00 WT1 H ATOM 24676 OH2 TIP3 8479 36.122 16.108 18.538 1.00 0.00 WT1 O ATOM 24677 H1 TIP3 8479 36.894 16.014 17.980 1.00 0.00 WT1 H ATOM 24678 H2 TIP3 8479 35.645 16.849 18.166 1.00 0.00 WT1 H ATOM 24679 OH2 TIP3 8480 87.846 39.564 56.911 1.00 0.00 WT1 O ATOM 24680 H1 TIP3 8480 87.833 39.202 56.025 1.00 0.00 WT1 H ATOM 24681 H2 TIP3 8480 87.460 38.879 57.457 1.00 0.00 WT1 H ATOM 24682 OH2 TIP3 8481 26.835 13.019 28.720 1.00 0.00 WT1 O ATOM 24683 H1 TIP3 8481 27.080 13.563 27.972 1.00 0.00 WT1 H ATOM 24684 H2 TIP3 8481 27.415 12.259 28.664 1.00 0.00 WT1 H ATOM 24685 OH2 TIP3 8482 38.033 4.619 26.379 1.00 0.00 WT1 O ATOM 24686 H1 TIP3 8482 38.833 5.144 26.405 1.00 0.00 WT1 H ATOM 24687 H2 TIP3 8482 38.080 4.070 27.161 1.00 0.00 WT1 H ATOM 24688 OH2 TIP3 8483 79.843 90.838 25.437 1.00 0.00 WT1 O ATOM 24689 H1 TIP3 8483 79.085 90.628 24.891 1.00 0.00 WT1 H ATOM 24690 H2 TIP3 8483 79.530 91.520 26.031 1.00 0.00 WT1 H ATOM 24691 OH2 TIP3 8484 74.957 23.187 44.120 1.00 0.00 WT1 O ATOM 24692 H1 TIP3 8484 75.328 23.721 43.418 1.00 0.00 WT1 H ATOM 24693 H2 TIP3 8484 75.186 22.288 43.885 1.00 0.00 WT1 H ATOM 24694 OH2 TIP3 8485 71.810 27.264 8.638 1.00 0.00 WT1 O ATOM 24695 H1 TIP3 8485 71.224 27.889 8.210 1.00 0.00 WT1 H ATOM 24696 H2 TIP3 8485 71.252 26.515 8.845 1.00 0.00 WT1 H ATOM 24697 OH2 TIP3 8486 25.562 13.974 -7.327 1.00 0.00 WT1 O ATOM 24698 H1 TIP3 8486 25.523 13.760 -6.394 1.00 0.00 WT1 H ATOM 24699 H2 TIP3 8486 26.224 14.662 -7.387 1.00 0.00 WT1 H ATOM 24700 OH2 TIP3 8487 72.636 38.744 33.520 1.00 0.00 WT1 O ATOM 24701 H1 TIP3 8487 72.262 39.345 34.165 1.00 0.00 WT1 H ATOM 24702 H2 TIP3 8487 73.268 39.275 33.036 1.00 0.00 WT1 H ATOM 24703 OH2 TIP3 8488 35.007 59.170 41.458 1.00 0.00 WT1 O ATOM 24704 H1 TIP3 8488 35.478 59.399 40.657 1.00 0.00 WT1 H ATOM 24705 H2 TIP3 8488 35.098 58.220 41.527 1.00 0.00 WT1 H ATOM 24706 OH2 TIP3 8489 33.758 24.769 3.006 1.00 0.00 WT1 O ATOM 24707 H1 TIP3 8489 34.687 24.985 3.092 1.00 0.00 WT1 H ATOM 24708 H2 TIP3 8489 33.342 25.200 3.753 1.00 0.00 WT1 H ATOM 24709 OH2 TIP3 8490 62.316 12.055 -11.280 1.00 0.00 WT1 O ATOM 24710 H1 TIP3 8490 62.376 12.495 -12.128 1.00 0.00 WT1 H ATOM 24711 H2 TIP3 8490 62.744 12.654 -10.668 1.00 0.00 WT1 H ATOM 24712 OH2 TIP3 8491 25.330 94.007 12.047 1.00 0.00 WT1 O ATOM 24713 H1 TIP3 8491 24.534 93.621 11.681 1.00 0.00 WT1 H ATOM 24714 H2 TIP3 8491 25.884 93.257 12.263 1.00 0.00 WT1 H ATOM 24715 OH2 TIP3 8492 75.903 30.170 26.565 1.00 0.00 WT1 O ATOM 24716 H1 TIP3 8492 75.233 30.515 27.155 1.00 0.00 WT1 H ATOM 24717 H2 TIP3 8492 76.732 30.443 26.959 1.00 0.00 WT1 H ATOM 24718 OH2 TIP3 8493 34.066 53.569 -3.332 1.00 0.00 WT1 O ATOM 24719 H1 TIP3 8493 33.126 53.621 -3.156 1.00 0.00 WT1 H ATOM 24720 H2 TIP3 8493 34.438 54.322 -2.874 1.00 0.00 WT1 H ATOM 24721 OH2 TIP3 8494 57.823 12.621 19.469 1.00 0.00 WT1 O ATOM 24722 H1 TIP3 8494 57.898 13.324 18.825 1.00 0.00 WT1 H ATOM 24723 H2 TIP3 8494 57.086 12.880 20.022 1.00 0.00 WT1 H ATOM 24724 OH2 TIP3 8495 46.015 92.799 -8.730 1.00 0.00 WT1 O ATOM 24725 H1 TIP3 8495 46.515 92.163 -9.241 1.00 0.00 WT1 H ATOM 24726 H2 TIP3 8495 45.199 92.347 -8.517 1.00 0.00 WT1 H ATOM 24727 OH2 TIP3 8496 21.955 11.207 60.896 1.00 0.00 WT1 O ATOM 24728 H1 TIP3 8496 21.387 11.737 60.335 1.00 0.00 WT1 H ATOM 24729 H2 TIP3 8496 22.833 11.334 60.536 1.00 0.00 WT1 H ATOM 24730 OH2 TIP3 8497 23.520 56.541 -2.017 1.00 0.00 WT1 O ATOM 24731 H1 TIP3 8497 23.045 55.712 -2.078 1.00 0.00 WT1 H ATOM 24732 H2 TIP3 8497 24.172 56.496 -2.717 1.00 0.00 WT1 H ATOM 24733 OH2 TIP3 8498 53.138 69.969 -4.092 1.00 0.00 WT1 O ATOM 24734 H1 TIP3 8498 53.729 69.419 -3.578 1.00 0.00 WT1 H ATOM 24735 H2 TIP3 8498 53.173 70.824 -3.664 1.00 0.00 WT1 H ATOM 24736 OH2 TIP3 8499 28.164 69.691 -3.439 1.00 0.00 WT1 O ATOM 24737 H1 TIP3 8499 28.268 68.919 -2.883 1.00 0.00 WT1 H ATOM 24738 H2 TIP3 8499 28.067 70.419 -2.825 1.00 0.00 WT1 H ATOM 24739 OH2 TIP3 8501 51.159 46.670 59.802 1.00 0.00 WT1 O ATOM 24740 H1 TIP3 8501 52.031 46.976 59.555 1.00 0.00 WT1 H ATOM 24741 H2 TIP3 8501 50.702 46.550 58.970 1.00 0.00 WT1 H ATOM 24742 OH2 TIP3 8502 33.430 18.883 45.198 1.00 0.00 WT1 O ATOM 24743 H1 TIP3 8502 32.687 19.139 44.651 1.00 0.00 WT1 H ATOM 24744 H2 TIP3 8502 33.602 19.650 45.743 1.00 0.00 WT1 H ATOM 24745 OH2 TIP3 8503 38.966 26.859 12.432 1.00 0.00 WT1 O ATOM 24746 H1 TIP3 8503 39.157 27.391 13.204 1.00 0.00 WT1 H ATOM 24747 H2 TIP3 8503 38.555 27.468 11.817 1.00 0.00 WT1 H ATOM 24748 OH2 TIP3 8504 23.612 2.487 24.540 1.00 0.00 WT1 O ATOM 24749 H1 TIP3 8504 23.827 3.250 25.078 1.00 0.00 WT1 H ATOM 24750 H2 TIP3 8504 24.167 2.577 23.765 1.00 0.00 WT1 H ATOM 24751 OH2 TIP3 8505 86.738 87.877 -1.250 1.00 0.00 WT1 O ATOM 24752 H1 TIP3 8505 86.868 88.785 -0.977 1.00 0.00 WT1 H ATOM 24753 H2 TIP3 8505 86.458 87.425 -0.453 1.00 0.00 WT1 H ATOM 24754 OH2 TIP3 8507 70.552 31.707 8.766 1.00 0.00 WT1 O ATOM 24755 H1 TIP3 8507 69.971 31.748 8.006 1.00 0.00 WT1 H ATOM 24756 H2 TIP3 8507 70.525 32.589 9.137 1.00 0.00 WT1 H ATOM 24757 OH2 TIP3 8508 81.993 21.441 51.133 1.00 0.00 WT1 O ATOM 24758 H1 TIP3 8508 82.074 20.530 51.417 1.00 0.00 WT1 H ATOM 24759 H2 TIP3 8508 82.592 21.515 50.390 1.00 0.00 WT1 H ATOM 24760 OH2 TIP3 8509 29.221 3.384 55.593 1.00 0.00 WT1 O ATOM 24761 H1 TIP3 8509 30.150 3.232 55.763 1.00 0.00 WT1 H ATOM 24762 H2 TIP3 8509 29.158 4.324 55.426 1.00 0.00 WT1 H ATOM 24763 OH2 TIP3 8510 48.647 24.765 35.920 1.00 0.00 WT1 O ATOM 24764 H1 TIP3 8510 48.680 24.058 35.276 1.00 0.00 WT1 H ATOM 24765 H2 TIP3 8510 49.543 24.832 36.250 1.00 0.00 WT1 H ATOM 24766 OH2 TIP3 8511 57.194 12.306 -4.824 1.00 0.00 WT1 O ATOM 24767 H1 TIP3 8511 57.605 11.446 -4.911 1.00 0.00 WT1 H ATOM 24768 H2 TIP3 8511 56.827 12.307 -3.940 1.00 0.00 WT1 H ATOM 24769 OH2 TIP3 8512 23.630 70.435 39.554 1.00 0.00 WT1 O ATOM 24770 H1 TIP3 8512 23.412 69.936 40.340 1.00 0.00 WT1 H ATOM 24771 H2 TIP3 8512 24.508 70.137 39.316 1.00 0.00 WT1 H ATOM 24772 OH2 TIP3 8513 62.187 77.414 19.565 1.00 0.00 WT1 O ATOM 24773 H1 TIP3 8513 62.689 76.801 20.103 1.00 0.00 WT1 H ATOM 24774 H2 TIP3 8513 61.513 76.874 19.152 1.00 0.00 WT1 H ATOM 24775 OH2 TIP3 8514 56.216 27.656 1.494 1.00 0.00 WT1 O ATOM 24776 H1 TIP3 8514 55.589 28.328 1.763 1.00 0.00 WT1 H ATOM 24777 H2 TIP3 8514 56.233 27.712 0.539 1.00 0.00 WT1 H ATOM 24778 OH2 TIP3 8515 87.206 30.061 24.153 1.00 0.00 WT1 O ATOM 24779 H1 TIP3 8515 86.418 30.524 24.436 1.00 0.00 WT1 H ATOM 24780 H2 TIP3 8515 87.887 30.353 24.759 1.00 0.00 WT1 H ATOM 24781 OH2 TIP3 8516 79.250 73.387 16.730 1.00 0.00 WT1 O ATOM 24782 H1 TIP3 8516 79.030 72.872 15.953 1.00 0.00 WT1 H ATOM 24783 H2 TIP3 8516 79.484 72.735 17.391 1.00 0.00 WT1 H ATOM 24784 OH2 TIP3 8517 52.310 15.502 58.622 1.00 0.00 WT1 O ATOM 24785 H1 TIP3 8517 51.971 16.397 58.613 1.00 0.00 WT1 H ATOM 24786 H2 TIP3 8517 52.615 15.370 59.519 1.00 0.00 WT1 H ATOM 24787 OH2 TIP3 8518 75.806 24.203 40.158 1.00 0.00 WT1 O ATOM 24788 H1 TIP3 8518 75.733 24.974 39.595 1.00 0.00 WT1 H ATOM 24789 H2 TIP3 8518 74.984 24.185 40.648 1.00 0.00 WT1 H ATOM 24790 OH2 TIP3 8519 44.453 86.059 27.386 1.00 0.00 WT1 O ATOM 24791 H1 TIP3 8519 45.074 86.239 28.092 1.00 0.00 WT1 H ATOM 24792 H2 TIP3 8519 44.893 86.370 26.595 1.00 0.00 WT1 H ATOM 24793 OH2 TIP3 8520 72.068 48.928 9.471 1.00 0.00 WT1 O ATOM 24794 H1 TIP3 8520 71.727 48.364 10.165 1.00 0.00 WT1 H ATOM 24795 H2 TIP3 8520 71.296 49.174 8.961 1.00 0.00 WT1 H ATOM 24796 OH2 TIP3 8521 64.229 87.049 29.135 1.00 0.00 WT1 O ATOM 24797 H1 TIP3 8521 63.359 86.864 29.489 1.00 0.00 WT1 H ATOM 24798 H2 TIP3 8521 64.621 86.187 28.996 1.00 0.00 WT1 H ATOM 24799 OH2 TIP3 8522 55.016 93.238 62.431 1.00 0.00 WT1 O ATOM 24800 H1 TIP3 8522 55.807 93.763 62.305 1.00 0.00 WT1 H ATOM 24801 H2 TIP3 8522 55.331 92.419 62.814 1.00 0.00 WT1 H ATOM 24802 OH2 TIP3 8523 62.496 22.291 17.905 1.00 0.00 WT1 O ATOM 24803 H1 TIP3 8523 62.719 23.202 17.717 1.00 0.00 WT1 H ATOM 24804 H2 TIP3 8523 61.636 22.166 17.504 1.00 0.00 WT1 H ATOM 24805 OH2 TIP3 8524 46.061 79.678 10.852 1.00 0.00 WT1 O ATOM 24806 H1 TIP3 8524 45.882 78.939 11.434 1.00 0.00 WT1 H ATOM 24807 H2 TIP3 8524 46.882 80.047 11.179 1.00 0.00 WT1 H ATOM 24808 OH2 TIP3 8525 50.762 91.557 20.200 1.00 0.00 WT1 O ATOM 24809 H1 TIP3 8525 50.369 91.555 21.073 1.00 0.00 WT1 H ATOM 24810 H2 TIP3 8525 50.129 92.025 19.654 1.00 0.00 WT1 H ATOM 24811 OH2 TIP3 8526 70.372 15.302 -7.412 1.00 0.00 WT1 O ATOM 24812 H1 TIP3 8526 70.843 16.131 -7.488 1.00 0.00 WT1 H ATOM 24813 H2 TIP3 8526 70.490 15.042 -6.498 1.00 0.00 WT1 H ATOM 24814 OH2 TIP3 8527 59.560 6.197 51.165 1.00 0.00 WT1 O ATOM 24815 H1 TIP3 8527 59.197 5.918 50.324 1.00 0.00 WT1 H ATOM 24816 H2 TIP3 8527 60.476 5.919 51.134 1.00 0.00 WT1 H ATOM 24817 OH2 TIP3 8528 25.965 77.569 -3.364 1.00 0.00 WT1 O ATOM 24818 H1 TIP3 8528 26.634 78.203 -3.107 1.00 0.00 WT1 H ATOM 24819 H2 TIP3 8528 26.421 76.963 -3.948 1.00 0.00 WT1 H ATOM 24820 OH2 TIP3 8529 48.569 31.698 59.287 1.00 0.00 WT1 O ATOM 24821 H1 TIP3 8529 49.107 32.237 59.867 1.00 0.00 WT1 H ATOM 24822 H2 TIP3 8529 47.732 32.158 59.238 1.00 0.00 WT1 H ATOM 24823 OH2 TIP3 8530 84.000 20.712 48.602 1.00 0.00 WT1 O ATOM 24824 H1 TIP3 8530 84.177 20.069 47.915 1.00 0.00 WT1 H ATOM 24825 H2 TIP3 8530 83.963 21.550 48.142 1.00 0.00 WT1 H ATOM 24826 OH2 TIP3 8531 57.162 29.452 10.672 1.00 0.00 WT1 O ATOM 24827 H1 TIP3 8531 56.411 29.503 11.263 1.00 0.00 WT1 H ATOM 24828 H2 TIP3 8531 57.222 30.325 10.284 1.00 0.00 WT1 H ATOM 24829 OH2 TIP3 8532 90.313 42.008 21.716 1.00 0.00 WT1 O ATOM 24830 H1 TIP3 8532 91.122 42.191 22.193 1.00 0.00 WT1 H ATOM 24831 H2 TIP3 8532 89.615 42.244 22.327 1.00 0.00 WT1 H ATOM 24832 OH2 TIP3 8533 63.406 13.629 17.864 1.00 0.00 WT1 O ATOM 24833 H1 TIP3 8533 62.592 13.183 17.630 1.00 0.00 WT1 H ATOM 24834 H2 TIP3 8533 63.132 14.505 18.134 1.00 0.00 WT1 H ATOM 24835 OH2 TIP3 8534 80.630 29.911 43.296 1.00 0.00 WT1 O ATOM 24836 H1 TIP3 8534 81.125 30.404 43.951 1.00 0.00 WT1 H ATOM 24837 H2 TIP3 8534 80.372 30.567 42.648 1.00 0.00 WT1 H ATOM 24838 OH2 TIP3 8535 22.656 6.867 41.597 1.00 0.00 WT1 O ATOM 24839 H1 TIP3 8535 23.453 6.760 42.115 1.00 0.00 WT1 H ATOM 24840 H2 TIP3 8535 22.842 7.609 41.021 1.00 0.00 WT1 H ATOM 24841 OH2 TIP3 8536 29.461 38.053 18.681 1.00 0.00 WT1 O ATOM 24842 H1 TIP3 8536 28.610 37.987 18.248 1.00 0.00 WT1 H ATOM 24843 H2 TIP3 8536 30.037 37.487 18.168 1.00 0.00 WT1 H ATOM 24844 OH2 TIP3 8538 32.070 13.397 -1.616 1.00 0.00 WT1 O ATOM 24845 H1 TIP3 8538 32.942 13.786 -1.550 1.00 0.00 WT1 H ATOM 24846 H2 TIP3 8538 32.186 12.645 -2.197 1.00 0.00 WT1 H ATOM 24847 OH2 TIP3 8539 62.919 87.440 64.997 1.00 0.00 WT1 O ATOM 24848 H1 TIP3 8539 63.099 88.250 65.473 1.00 0.00 WT1 H ATOM 24849 H2 TIP3 8539 63.770 87.007 64.928 1.00 0.00 WT1 H ATOM 24850 OH2 TIP3 8540 22.995 47.895 59.338 1.00 0.00 WT1 O ATOM 24851 H1 TIP3 8540 22.041 47.858 59.415 1.00 0.00 WT1 H ATOM 24852 H2 TIP3 8540 23.296 48.148 60.210 1.00 0.00 WT1 H ATOM 24853 OH2 TIP3 8541 59.694 28.844 -0.812 1.00 0.00 WT1 O ATOM 24854 H1 TIP3 8541 59.356 28.363 -1.568 1.00 0.00 WT1 H ATOM 24855 H2 TIP3 8541 58.952 29.367 -0.509 1.00 0.00 WT1 H ATOM 24856 OH2 TIP3 8542 40.245 52.898 -7.630 1.00 0.00 WT1 O ATOM 24857 H1 TIP3 8542 39.703 52.437 -8.270 1.00 0.00 WT1 H ATOM 24858 H2 TIP3 8542 40.151 52.389 -6.825 1.00 0.00 WT1 H ATOM 24859 OH2 TIP3 8543 24.797 11.243 -12.262 1.00 0.00 WT1 O ATOM 24860 H1 TIP3 8543 24.726 10.331 -11.981 1.00 0.00 WT1 H ATOM 24861 H2 TIP3 8543 24.083 11.357 -12.889 1.00 0.00 WT1 H ATOM 24862 OH2 TIP3 8544 22.406 24.635 32.151 1.00 0.00 WT1 O ATOM 24863 H1 TIP3 8544 22.639 23.848 32.642 1.00 0.00 WT1 H ATOM 24864 H2 TIP3 8544 23.232 24.939 31.776 1.00 0.00 WT1 H ATOM 24865 OH2 TIP3 8545 66.449 73.659 -10.875 1.00 0.00 WT1 O ATOM 24866 H1 TIP3 8545 65.506 73.501 -10.828 1.00 0.00 WT1 H ATOM 24867 H2 TIP3 8545 66.586 74.028 -11.748 1.00 0.00 WT1 H ATOM 24868 OH2 TIP3 8546 39.915 9.324 6.424 1.00 0.00 WT1 O ATOM 24869 H1 TIP3 8546 39.976 9.680 7.311 1.00 0.00 WT1 H ATOM 24870 H2 TIP3 8546 39.298 9.903 5.976 1.00 0.00 WT1 H ATOM 24871 OH2 TIP3 8547 86.375 87.062 36.467 1.00 0.00 WT1 O ATOM 24872 H1 TIP3 8547 86.405 87.322 35.547 1.00 0.00 WT1 H ATOM 24873 H2 TIP3 8547 86.868 86.242 36.501 1.00 0.00 WT1 H ATOM 24874 OH2 TIP3 8548 54.425 22.414 38.862 1.00 0.00 WT1 O ATOM 24875 H1 TIP3 8548 54.382 22.600 39.800 1.00 0.00 WT1 H ATOM 24876 H2 TIP3 8548 55.169 22.929 38.550 1.00 0.00 WT1 H ATOM 24877 OH2 TIP3 8549 32.268 42.997 25.044 1.00 0.00 WT1 O ATOM 24878 H1 TIP3 8549 32.795 43.538 25.633 1.00 0.00 WT1 H ATOM 24879 H2 TIP3 8549 32.743 43.015 24.213 1.00 0.00 WT1 H ATOM 24880 OH2 TIP3 8550 45.822 3.935 -18.730 1.00 0.00 WT1 O ATOM 24881 H1 TIP3 8550 44.951 3.971 -18.336 1.00 0.00 WT1 H ATOM 24882 H2 TIP3 8550 46.414 3.791 -17.992 1.00 0.00 WT1 H ATOM 24883 OH2 TIP3 8551 52.277 22.469 -6.423 1.00 0.00 WT1 O ATOM 24884 H1 TIP3 8551 51.796 22.988 -5.777 1.00 0.00 WT1 H ATOM 24885 H2 TIP3 8551 51.604 22.154 -7.026 1.00 0.00 WT1 H ATOM 24886 OH2 TIP3 8552 35.480 93.236 6.816 1.00 0.00 WT1 O ATOM 24887 H1 TIP3 8552 34.792 92.571 6.840 1.00 0.00 WT1 H ATOM 24888 H2 TIP3 8552 35.397 93.698 7.650 1.00 0.00 WT1 H ATOM 24889 OH2 TIP3 8553 48.516 27.797 -4.516 1.00 0.00 WT1 O ATOM 24890 H1 TIP3 8553 48.003 28.374 -3.951 1.00 0.00 WT1 H ATOM 24891 H2 TIP3 8553 47.866 27.235 -4.939 1.00 0.00 WT1 H ATOM 24892 OH2 TIP3 8554 47.597 9.715 13.322 1.00 0.00 WT1 O ATOM 24893 H1 TIP3 8554 47.596 10.498 12.771 1.00 0.00 WT1 H ATOM 24894 H2 TIP3 8554 47.343 10.032 14.189 1.00 0.00 WT1 H ATOM 24895 OH2 TIP3 8555 29.522 79.380 33.646 1.00 0.00 WT1 O ATOM 24896 H1 TIP3 8555 29.165 78.697 33.078 1.00 0.00 WT1 H ATOM 24897 H2 TIP3 8555 28.847 79.515 34.312 1.00 0.00 WT1 H ATOM 24898 OH2 TIP3 8556 28.439 11.882 -1.024 1.00 0.00 WT1 O ATOM 24899 H1 TIP3 8556 29.151 12.345 -0.583 1.00 0.00 WT1 H ATOM 24900 H2 TIP3 8556 27.871 12.577 -1.358 1.00 0.00 WT1 H ATOM 24901 OH2 TIP3 8557 27.757 19.914 60.189 1.00 0.00 WT1 O ATOM 24902 H1 TIP3 8557 28.215 19.077 60.267 1.00 0.00 WT1 H ATOM 24903 H2 TIP3 8557 27.449 20.103 61.076 1.00 0.00 WT1 H ATOM 24904 OH2 TIP3 8558 76.061 72.711 6.970 1.00 0.00 WT1 O ATOM 24905 H1 TIP3 8558 75.894 71.950 7.527 1.00 0.00 WT1 H ATOM 24906 H2 TIP3 8558 75.451 72.611 6.239 1.00 0.00 WT1 H ATOM 24907 OH2 TIP3 8559 58.670 17.235 65.650 1.00 0.00 WT1 O ATOM 24908 H1 TIP3 8559 58.641 17.472 66.577 1.00 0.00 WT1 H ATOM 24909 H2 TIP3 8559 58.024 17.807 65.236 1.00 0.00 WT1 H ATOM 24910 OH2 TIP3 8560 21.386 19.666 3.734 1.00 0.00 WT1 O ATOM 24911 H1 TIP3 8560 22.314 19.430 3.721 1.00 0.00 WT1 H ATOM 24912 H2 TIP3 8560 21.373 20.599 3.518 1.00 0.00 WT1 H ATOM 24913 OH2 TIP3 8561 37.580 60.465 44.067 1.00 0.00 WT1 O ATOM 24914 H1 TIP3 8561 36.745 60.570 43.612 1.00 0.00 WT1 H ATOM 24915 H2 TIP3 8561 38.164 61.097 43.648 1.00 0.00 WT1 H ATOM 24916 OH2 TIP3 8562 41.243 24.719 14.352 1.00 0.00 WT1 O ATOM 24917 H1 TIP3 8562 41.298 25.087 13.469 1.00 0.00 WT1 H ATOM 24918 H2 TIP3 8562 42.088 24.290 14.486 1.00 0.00 WT1 H ATOM 24919 OH2 TIP3 8563 47.071 48.392 -1.011 1.00 0.00 WT1 O ATOM 24920 H1 TIP3 8563 46.864 49.319 -1.131 1.00 0.00 WT1 H ATOM 24921 H2 TIP3 8563 47.736 48.383 -0.323 1.00 0.00 WT1 H ATOM 24922 OH2 TIP3 8565 62.104 67.663 35.716 1.00 0.00 WT1 O ATOM 24923 H1 TIP3 8565 62.607 66.873 35.518 1.00 0.00 WT1 H ATOM 24924 H2 TIP3 8565 62.236 68.228 34.955 1.00 0.00 WT1 H ATOM 24925 OH2 TIP3 8566 79.508 87.585 13.533 1.00 0.00 WT1 O ATOM 24926 H1 TIP3 8566 79.871 87.254 12.712 1.00 0.00 WT1 H ATOM 24927 H2 TIP3 8566 79.951 88.422 13.672 1.00 0.00 WT1 H ATOM 24928 OH2 TIP3 8567 66.956 5.372 20.390 1.00 0.00 WT1 O ATOM 24929 H1 TIP3 8567 67.668 5.097 20.968 1.00 0.00 WT1 H ATOM 24930 H2 TIP3 8567 66.273 5.684 20.983 1.00 0.00 WT1 H ATOM 24931 OH2 TIP3 8569 87.536 41.968 17.913 1.00 0.00 WT1 O ATOM 24932 H1 TIP3 8569 87.325 42.251 17.023 1.00 0.00 WT1 H ATOM 24933 H2 TIP3 8569 88.240 42.554 18.191 1.00 0.00 WT1 H ATOM 24934 OH2 TIP3 8571 85.694 46.232 11.194 1.00 0.00 WT1 O ATOM 24935 H1 TIP3 8571 85.909 47.086 11.569 1.00 0.00 WT1 H ATOM 24936 H2 TIP3 8571 85.009 45.884 11.766 1.00 0.00 WT1 H ATOM 24937 OH2 TIP3 8572 44.531 6.445 10.881 1.00 0.00 WT1 O ATOM 24938 H1 TIP3 8572 44.086 6.466 10.034 1.00 0.00 WT1 H ATOM 24939 H2 TIP3 8572 43.875 6.105 11.489 1.00 0.00 WT1 H ATOM 24940 OH2 TIP3 8573 42.037 2.258 46.865 1.00 0.00 WT1 O ATOM 24941 H1 TIP3 8573 42.001 2.460 47.800 1.00 0.00 WT1 H ATOM 24942 H2 TIP3 8573 42.550 2.972 46.486 1.00 0.00 WT1 H ATOM 24943 OH2 TIP3 8574 31.731 76.854 -15.565 1.00 0.00 WT1 O ATOM 24944 H1 TIP3 8574 31.069 76.330 -16.016 1.00 0.00 WT1 H ATOM 24945 H2 TIP3 8574 31.437 77.758 -15.673 1.00 0.00 WT1 H ATOM 24946 OH2 TIP3 8576 30.945 21.908 0.199 1.00 0.00 WT1 O ATOM 24947 H1 TIP3 8576 31.466 22.260 0.921 1.00 0.00 WT1 H ATOM 24948 H2 TIP3 8576 31.480 21.200 -0.159 1.00 0.00 WT1 H ATOM 24949 OH2 TIP3 8577 56.692 41.578 -14.279 1.00 0.00 WT1 O ATOM 24950 H1 TIP3 8577 57.258 40.806 -14.245 1.00 0.00 WT1 H ATOM 24951 H2 TIP3 8577 56.042 41.428 -13.594 1.00 0.00 WT1 H ATOM 24952 OH2 TIP3 8578 60.192 56.938 41.563 1.00 0.00 WT1 O ATOM 24953 H1 TIP3 8578 59.305 56.579 41.545 1.00 0.00 WT1 H ATOM 24954 H2 TIP3 8578 60.226 57.531 40.813 1.00 0.00 WT1 H ATOM 24955 OH2 TIP3 8579 39.230 35.968 -9.634 1.00 0.00 WT1 O ATOM 24956 H1 TIP3 8579 39.449 36.736 -10.162 1.00 0.00 WT1 H ATOM 24957 H2 TIP3 8579 38.606 36.293 -8.985 1.00 0.00 WT1 H ATOM 24958 OH2 TIP3 8580 74.963 66.259 15.480 1.00 0.00 WT1 O ATOM 24959 H1 TIP3 8580 74.923 67.137 15.858 1.00 0.00 WT1 H ATOM 24960 H2 TIP3 8580 74.050 66.029 15.310 1.00 0.00 WT1 H ATOM 24961 OH2 TIP3 8581 31.239 27.327 57.158 1.00 0.00 WT1 O ATOM 24962 H1 TIP3 8581 31.766 26.570 57.412 1.00 0.00 WT1 H ATOM 24963 H2 TIP3 8581 31.830 27.864 56.629 1.00 0.00 WT1 H ATOM 24964 OH2 TIP3 8582 34.150 8.595 44.231 1.00 0.00 WT1 O ATOM 24965 H1 TIP3 8582 34.341 9.122 43.456 1.00 0.00 WT1 H ATOM 24966 H2 TIP3 8582 34.956 8.625 44.746 1.00 0.00 WT1 H ATOM 24967 OH2 TIP3 8583 72.831 4.580 7.436 1.00 0.00 WT1 O ATOM 24968 H1 TIP3 8583 72.431 5.449 7.463 1.00 0.00 WT1 H ATOM 24969 H2 TIP3 8583 72.561 4.166 8.256 1.00 0.00 WT1 H ATOM 24970 OH2 TIP3 8584 50.203 9.927 1.304 1.00 0.00 WT1 O ATOM 24971 H1 TIP3 8584 49.422 10.235 1.765 1.00 0.00 WT1 H ATOM 24972 H2 TIP3 8584 50.352 10.581 0.622 1.00 0.00 WT1 H ATOM 24973 OH2 TIP3 8585 82.586 43.519 22.491 1.00 0.00 WT1 O ATOM 24974 H1 TIP3 8585 82.907 44.421 22.474 1.00 0.00 WT1 H ATOM 24975 H2 TIP3 8585 82.146 43.406 21.648 1.00 0.00 WT1 H ATOM 24976 OH2 TIP3 8586 80.684 30.448 1.867 1.00 0.00 WT1 O ATOM 24977 H1 TIP3 8586 79.965 29.869 2.119 1.00 0.00 WT1 H ATOM 24978 H2 TIP3 8586 80.529 31.252 2.362 1.00 0.00 WT1 H ATOM 24979 OH2 TIP3 8587 31.865 61.258 -18.181 1.00 0.00 WT1 O ATOM 24980 H1 TIP3 8587 32.348 61.545 -17.406 1.00 0.00 WT1 H ATOM 24981 H2 TIP3 8587 30.948 61.263 -17.908 1.00 0.00 WT1 H ATOM 24982 OH2 TIP3 8588 86.258 92.341 14.731 1.00 0.00 WT1 O ATOM 24983 H1 TIP3 8588 85.508 92.018 15.232 1.00 0.00 WT1 H ATOM 24984 H2 TIP3 8588 86.029 93.245 14.515 1.00 0.00 WT1 H ATOM 24985 OH2 TIP3 8589 68.585 14.497 -11.279 1.00 0.00 WT1 O ATOM 24986 H1 TIP3 8589 67.824 14.827 -10.801 1.00 0.00 WT1 H ATOM 24987 H2 TIP3 8589 68.880 13.743 -10.769 1.00 0.00 WT1 H ATOM 24988 OH2 TIP3 8590 35.737 38.342 11.013 1.00 0.00 WT1 O ATOM 24989 H1 TIP3 8590 36.483 38.930 11.131 1.00 0.00 WT1 H ATOM 24990 H2 TIP3 8590 35.531 38.401 10.080 1.00 0.00 WT1 H ATOM 24991 OH2 TIP3 8591 21.684 65.981 7.523 1.00 0.00 WT1 O ATOM 24992 H1 TIP3 8591 20.944 65.374 7.526 1.00 0.00 WT1 H ATOM 24993 H2 TIP3 8591 22.398 65.487 7.120 1.00 0.00 WT1 H ATOM 24994 OH2 TIP3 8592 31.540 93.173 -10.552 1.00 0.00 WT1 O ATOM 24995 H1 TIP3 8592 31.549 93.259 -11.506 1.00 0.00 WT1 H ATOM 24996 H2 TIP3 8592 32.454 93.291 -10.292 1.00 0.00 WT1 H ATOM 24997 OH2 TIP3 8593 76.027 88.667 -6.446 1.00 0.00 WT1 O ATOM 24998 H1 TIP3 8593 76.800 88.839 -6.983 1.00 0.00 WT1 H ATOM 24999 H2 TIP3 8593 75.373 89.293 -6.760 1.00 0.00 WT1 H ATOM 25000 OH2 TIP3 8594 71.398 8.453 -3.483 1.00 0.00 WT1 O ATOM 25001 H1 TIP3 8594 71.063 8.263 -4.359 1.00 0.00 WT1 H ATOM 25002 H2 TIP3 8594 72.334 8.259 -3.536 1.00 0.00 WT1 H ATOM 25003 OH2 TIP3 8595 50.528 3.535 33.537 1.00 0.00 WT1 O ATOM 25004 H1 TIP3 8595 51.403 3.152 33.486 1.00 0.00 WT1 H ATOM 25005 H2 TIP3 8595 50.611 4.382 33.100 1.00 0.00 WT1 H ATOM 25006 OH2 TIP3 8596 57.531 57.350 36.902 1.00 0.00 WT1 O ATOM 25007 H1 TIP3 8596 57.057 56.573 37.198 1.00 0.00 WT1 H ATOM 25008 H2 TIP3 8596 57.338 57.407 35.966 1.00 0.00 WT1 H ATOM 25009 OH2 TIP3 8597 86.188 47.942 40.806 1.00 0.00 WT1 O ATOM 25010 H1 TIP3 8597 86.464 47.229 40.230 1.00 0.00 WT1 H ATOM 25011 H2 TIP3 8597 85.881 48.626 40.211 1.00 0.00 WT1 H ATOM 25012 OH2 TIP3 8598 71.329 18.829 47.782 1.00 0.00 WT1 O ATOM 25013 H1 TIP3 8598 70.565 19.298 47.448 1.00 0.00 WT1 H ATOM 25014 H2 TIP3 8598 71.697 18.392 47.014 1.00 0.00 WT1 H ATOM 25015 OH2 TIP3 8600 85.449 56.713 14.068 1.00 0.00 WT1 O ATOM 25016 H1 TIP3 8600 85.584 56.850 13.130 1.00 0.00 WT1 H ATOM 25017 H2 TIP3 8600 85.306 57.592 14.420 1.00 0.00 WT1 H ATOM 25018 OH2 TIP3 8601 66.066 47.280 15.705 1.00 0.00 WT1 O ATOM 25019 H1 TIP3 8601 65.356 47.919 15.643 1.00 0.00 WT1 H ATOM 25020 H2 TIP3 8601 65.623 46.443 15.844 1.00 0.00 WT1 H ATOM 25021 OH2 TIP3 8602 90.062 62.839 49.556 1.00 0.00 WT1 O ATOM 25022 H1 TIP3 8602 89.521 63.523 49.161 1.00 0.00 WT1 H ATOM 25023 H2 TIP3 8602 90.285 62.259 48.827 1.00 0.00 WT1 H ATOM 25024 OH2 TIP3 8603 39.416 15.865 30.619 1.00 0.00 WT1 O ATOM 25025 H1 TIP3 8603 39.227 16.072 29.704 1.00 0.00 WT1 H ATOM 25026 H2 TIP3 8603 39.542 16.717 31.037 1.00 0.00 WT1 H ATOM 25027 OH2 TIP3 8604 84.522 14.961 56.963 1.00 0.00 WT1 O ATOM 25028 H1 TIP3 8604 83.923 14.715 57.667 1.00 0.00 WT1 H ATOM 25029 H2 TIP3 8604 84.302 15.871 56.767 1.00 0.00 WT1 H ATOM 25030 OH2 TIP3 8605 88.374 31.553 1.584 1.00 0.00 WT1 O ATOM 25031 H1 TIP3 8605 88.835 31.761 2.397 1.00 0.00 WT1 H ATOM 25032 H2 TIP3 8605 88.888 30.849 1.189 1.00 0.00 WT1 H ATOM 25033 OH2 TIP3 8606 51.586 1.827 4.225 1.00 0.00 WT1 O ATOM 25034 H1 TIP3 8606 52.278 1.480 4.788 1.00 0.00 WT1 H ATOM 25035 H2 TIP3 8606 52.004 1.933 3.370 1.00 0.00 WT1 H ATOM 25036 OH2 TIP3 8607 54.729 42.103 56.238 1.00 0.00 WT1 O ATOM 25037 H1 TIP3 8607 54.484 43.022 56.135 1.00 0.00 WT1 H ATOM 25038 H2 TIP3 8607 54.871 41.790 55.344 1.00 0.00 WT1 H ATOM 25039 OH2 TIP3 8608 70.104 26.329 38.576 1.00 0.00 WT1 O ATOM 25040 H1 TIP3 8608 70.420 25.785 37.855 1.00 0.00 WT1 H ATOM 25041 H2 TIP3 8608 70.027 25.727 39.316 1.00 0.00 WT1 H ATOM 25042 OH2 TIP3 8609 64.502 80.333 52.471 1.00 0.00 WT1 O ATOM 25043 H1 TIP3 8609 65.327 79.862 52.587 1.00 0.00 WT1 H ATOM 25044 H2 TIP3 8609 64.027 79.827 51.812 1.00 0.00 WT1 H ATOM 25045 OH2 TIP3 8611 60.692 26.120 7.997 1.00 0.00 WT1 O ATOM 25046 H1 TIP3 8611 60.346 26.266 8.878 1.00 0.00 WT1 H ATOM 25047 H2 TIP3 8611 61.397 25.485 8.118 1.00 0.00 WT1 H ATOM 25048 OH2 TIP3 8612 30.016 31.075 38.824 1.00 0.00 WT1 O ATOM 25049 H1 TIP3 8612 29.826 31.842 39.363 1.00 0.00 WT1 H ATOM 25050 H2 TIP3 8612 29.213 30.926 38.326 1.00 0.00 WT1 H ATOM 25051 OH2 TIP3 8613 85.011 14.018 45.599 1.00 0.00 WT1 O ATOM 25052 H1 TIP3 8613 85.189 13.113 45.341 1.00 0.00 WT1 H ATOM 25053 H2 TIP3 8613 84.548 13.942 46.433 1.00 0.00 WT1 H ATOM 25054 OH2 TIP3 8614 20.859 54.676 2.132 1.00 0.00 WT1 O ATOM 25055 H1 TIP3 8614 20.912 53.750 1.897 1.00 0.00 WT1 H ATOM 25056 H2 TIP3 8614 20.329 54.691 2.929 1.00 0.00 WT1 H ATOM 25057 OH2 TIP3 8615 29.705 3.061 26.635 1.00 0.00 WT1 O ATOM 25058 H1 TIP3 8615 30.105 2.394 26.077 1.00 0.00 WT1 H ATOM 25059 H2 TIP3 8615 29.581 3.814 26.058 1.00 0.00 WT1 H ATOM 25060 OH2 TIP3 8616 26.064 14.263 3.749 1.00 0.00 WT1 O ATOM 25061 H1 TIP3 8616 26.416 14.593 2.922 1.00 0.00 WT1 H ATOM 25062 H2 TIP3 8616 25.809 13.360 3.558 1.00 0.00 WT1 H ATOM 25063 OH2 TIP3 8617 65.247 51.121 -2.677 1.00 0.00 WT1 O ATOM 25064 H1 TIP3 8617 64.383 50.731 -2.548 1.00 0.00 WT1 H ATOM 25065 H2 TIP3 8617 65.155 51.652 -3.469 1.00 0.00 WT1 H ATOM 25066 OH2 TIP3 8618 84.458 66.463 29.904 1.00 0.00 WT1 O ATOM 25067 H1 TIP3 8618 84.154 66.475 28.996 1.00 0.00 WT1 H ATOM 25068 H2 TIP3 8618 84.924 67.292 30.012 1.00 0.00 WT1 H ATOM 25069 OH2 TIP3 8619 20.921 45.250 10.367 1.00 0.00 WT1 O ATOM 25070 H1 TIP3 8619 20.421 45.112 11.172 1.00 0.00 WT1 H ATOM 25071 H2 TIP3 8619 20.257 45.406 9.696 1.00 0.00 WT1 H ATOM 25072 OH2 TIP3 8620 64.203 96.168 6.431 1.00 0.00 WT1 O ATOM 25073 H1 TIP3 8620 64.237 95.260 6.131 1.00 0.00 WT1 H ATOM 25074 H2 TIP3 8620 64.581 96.145 7.310 1.00 0.00 WT1 H ATOM 25075 OH2 TIP3 8622 28.079 14.713 1.769 1.00 0.00 WT1 O ATOM 25076 H1 TIP3 8622 28.671 14.519 1.043 1.00 0.00 WT1 H ATOM 25077 H2 TIP3 8622 28.314 15.601 2.040 1.00 0.00 WT1 H ATOM 25078 OH2 TIP3 8623 32.099 63.894 29.935 1.00 0.00 WT1 O ATOM 25079 H1 TIP3 8623 32.393 63.983 29.028 1.00 0.00 WT1 H ATOM 25080 H2 TIP3 8623 32.846 64.185 30.459 1.00 0.00 WT1 H ATOM 25081 OH2 TIP3 8624 81.735 23.629 59.443 1.00 0.00 WT1 O ATOM 25082 H1 TIP3 8624 80.881 23.519 59.024 1.00 0.00 WT1 H ATOM 25083 H2 TIP3 8624 81.729 24.529 59.768 1.00 0.00 WT1 H ATOM 25084 OH2 TIP3 8625 78.922 0.811 7.024 1.00 0.00 WT1 O ATOM 25085 H1 TIP3 8625 79.624 0.395 6.523 1.00 0.00 WT1 H ATOM 25086 H2 TIP3 8625 79.356 1.519 7.500 1.00 0.00 WT1 H ATOM 25087 OH2 TIP3 8627 29.945 32.341 32.782 1.00 0.00 WT1 O ATOM 25088 H1 TIP3 8627 29.128 32.703 32.438 1.00 0.00 WT1 H ATOM 25089 H2 TIP3 8627 29.761 31.410 32.908 1.00 0.00 WT1 H ATOM 25090 OH2 TIP3 8628 82.428 50.357 43.626 1.00 0.00 WT1 O ATOM 25091 H1 TIP3 8628 81.533 50.022 43.572 1.00 0.00 WT1 H ATOM 25092 H2 TIP3 8628 82.976 49.573 43.664 1.00 0.00 WT1 H ATOM 25093 OH2 TIP3 8629 35.748 81.070 13.280 1.00 0.00 WT1 O ATOM 25094 H1 TIP3 8629 35.469 81.468 12.455 1.00 0.00 WT1 H ATOM 25095 H2 TIP3 8629 36.653 80.802 13.123 1.00 0.00 WT1 H ATOM 25096 OH2 TIP3 8630 61.758 59.731 48.156 1.00 0.00 WT1 O ATOM 25097 H1 TIP3 8630 61.417 59.273 47.388 1.00 0.00 WT1 H ATOM 25098 H2 TIP3 8630 62.285 59.075 48.612 1.00 0.00 WT1 H ATOM 25099 OH2 TIP3 8631 86.271 8.426 2.637 1.00 0.00 WT1 O ATOM 25100 H1 TIP3 8631 86.704 9.280 2.665 1.00 0.00 WT1 H ATOM 25101 H2 TIP3 8631 86.126 8.260 1.706 1.00 0.00 WT1 H ATOM 25102 OH2 TIP3 8633 59.554 6.673 45.913 1.00 0.00 WT1 O ATOM 25103 H1 TIP3 8633 59.596 5.957 45.279 1.00 0.00 WT1 H ATOM 25104 H2 TIP3 8633 59.926 6.306 46.715 1.00 0.00 WT1 H ATOM 25105 OH2 TIP3 8634 70.855 12.647 7.377 1.00 0.00 WT1 O ATOM 25106 H1 TIP3 8634 70.554 13.505 7.077 1.00 0.00 WT1 H ATOM 25107 H2 TIP3 8634 71.609 12.839 7.935 1.00 0.00 WT1 H ATOM 25108 OH2 TIP3 8635 26.288 6.814 32.955 1.00 0.00 WT1 O ATOM 25109 H1 TIP3 8635 27.161 6.855 33.345 1.00 0.00 WT1 H ATOM 25110 H2 TIP3 8635 26.447 6.646 32.027 1.00 0.00 WT1 H ATOM 25111 OH2 TIP3 8636 28.621 61.294 36.162 1.00 0.00 WT1 O ATOM 25112 H1 TIP3 8636 28.395 61.022 35.272 1.00 0.00 WT1 H ATOM 25113 H2 TIP3 8636 28.305 62.195 36.225 1.00 0.00 WT1 H ATOM 25114 OH2 TIP3 8637 86.280 5.716 61.067 1.00 0.00 WT1 O ATOM 25115 H1 TIP3 8637 86.429 6.655 60.953 1.00 0.00 WT1 H ATOM 25116 H2 TIP3 8637 86.280 5.586 62.015 1.00 0.00 WT1 H ATOM 25117 OH2 TIP3 8638 43.722 45.537 5.508 1.00 0.00 WT1 O ATOM 25118 H1 TIP3 8638 42.896 45.689 5.967 1.00 0.00 WT1 H ATOM 25119 H2 TIP3 8638 44.172 46.381 5.537 1.00 0.00 WT1 H ATOM 25120 OH2 TIP3 8639 61.041 20.946 -19.531 1.00 0.00 WT1 O ATOM 25121 H1 TIP3 8639 61.513 20.473 -20.216 1.00 0.00 WT1 H ATOM 25122 H2 TIP3 8639 61.153 20.408 -18.747 1.00 0.00 WT1 H ATOM 25123 OH2 TIP3 8640 62.809 23.698 30.528 1.00 0.00 WT1 O ATOM 25124 H1 TIP3 8640 62.046 23.972 31.037 1.00 0.00 WT1 H ATOM 25125 H2 TIP3 8640 63.555 24.076 30.992 1.00 0.00 WT1 H ATOM 25126 OH2 TIP3 8641 51.956 73.676 59.527 1.00 0.00 WT1 O ATOM 25127 H1 TIP3 8641 51.921 73.240 58.676 1.00 0.00 WT1 H ATOM 25128 H2 TIP3 8641 52.177 72.979 60.145 1.00 0.00 WT1 H ATOM 25129 OH2 TIP3 8642 89.383 20.124 50.697 1.00 0.00 WT1 O ATOM 25130 H1 TIP3 8642 88.732 20.754 50.389 1.00 0.00 WT1 H ATOM 25131 H2 TIP3 8642 89.768 19.766 49.898 1.00 0.00 WT1 H ATOM 25132 OH2 TIP3 8643 39.347 6.184 56.948 1.00 0.00 WT1 O ATOM 25133 H1 TIP3 8643 38.837 5.448 56.609 1.00 0.00 WT1 H ATOM 25134 H2 TIP3 8643 38.692 6.792 57.291 1.00 0.00 WT1 H ATOM 25135 OH2 TIP3 8644 37.172 18.784 -14.920 1.00 0.00 WT1 O ATOM 25136 H1 TIP3 8644 36.396 18.240 -14.786 1.00 0.00 WT1 H ATOM 25137 H2 TIP3 8644 36.891 19.667 -14.679 1.00 0.00 WT1 H ATOM 25138 OH2 TIP3 8645 32.011 33.089 49.132 1.00 0.00 WT1 O ATOM 25139 H1 TIP3 8645 31.097 32.865 49.309 1.00 0.00 WT1 H ATOM 25140 H2 TIP3 8645 32.501 32.678 49.843 1.00 0.00 WT1 H ATOM 25141 OH2 TIP3 8646 38.489 71.180 10.060 1.00 0.00 WT1 O ATOM 25142 H1 TIP3 8646 38.440 70.372 10.571 1.00 0.00 WT1 H ATOM 25143 H2 TIP3 8646 39.231 71.656 10.434 1.00 0.00 WT1 H ATOM 25144 OH2 TIP3 8647 73.966 38.077 13.195 1.00 0.00 WT1 O ATOM 25145 H1 TIP3 8647 73.462 37.544 13.810 1.00 0.00 WT1 H ATOM 25146 H2 TIP3 8647 73.372 38.785 12.947 1.00 0.00 WT1 H ATOM 25147 OH2 TIP3 8648 85.378 26.425 34.041 1.00 0.00 WT1 O ATOM 25148 H1 TIP3 8648 85.049 25.526 34.008 1.00 0.00 WT1 H ATOM 25149 H2 TIP3 8648 85.185 26.718 34.932 1.00 0.00 WT1 H ATOM 25150 OH2 TIP3 8649 82.112 95.665 65.032 1.00 0.00 WT1 O ATOM 25151 H1 TIP3 8649 82.397 96.513 65.372 1.00 0.00 WT1 H ATOM 25152 H2 TIP3 8649 81.864 95.165 65.810 1.00 0.00 WT1 H ATOM 25153 OH2 TIP3 8650 82.327 35.282 37.133 1.00 0.00 WT1 O ATOM 25154 H1 TIP3 8650 82.364 34.340 37.299 1.00 0.00 WT1 H ATOM 25155 H2 TIP3 8650 83.035 35.443 36.509 1.00 0.00 WT1 H ATOM 25156 OH2 TIP3 8652 40.006 22.646 41.831 1.00 0.00 WT1 O ATOM 25157 H1 TIP3 8652 40.954 22.727 41.724 1.00 0.00 WT1 H ATOM 25158 H2 TIP3 8652 39.671 23.529 41.677 1.00 0.00 WT1 H ATOM 25159 OH2 TIP3 8653 66.873 42.430 58.988 1.00 0.00 WT1 O ATOM 25160 H1 TIP3 8653 67.471 43.039 58.554 1.00 0.00 WT1 H ATOM 25161 H2 TIP3 8653 66.496 41.915 58.275 1.00 0.00 WT1 H ATOM 25162 OH2 TIP3 8654 80.873 33.606 18.323 1.00 0.00 WT1 O ATOM 25163 H1 TIP3 8654 80.876 34.492 18.685 1.00 0.00 WT1 H ATOM 25164 H2 TIP3 8654 80.669 33.727 17.396 1.00 0.00 WT1 H ATOM 25165 OH2 TIP3 8655 43.883 89.122 6.260 1.00 0.00 WT1 O ATOM 25166 H1 TIP3 8655 44.656 89.625 6.517 1.00 0.00 WT1 H ATOM 25167 H2 TIP3 8655 44.179 88.589 5.522 1.00 0.00 WT1 H ATOM 25168 OH2 TIP3 8656 25.536 54.138 58.016 1.00 0.00 WT1 O ATOM 25169 H1 TIP3 8656 25.178 53.733 58.806 1.00 0.00 WT1 H ATOM 25170 H2 TIP3 8656 24.776 54.276 57.451 1.00 0.00 WT1 H ATOM 25171 OH2 TIP3 8657 82.461 37.873 -9.310 1.00 0.00 WT1 O ATOM 25172 H1 TIP3 8657 82.721 38.794 -9.296 1.00 0.00 WT1 H ATOM 25173 H2 TIP3 8657 81.767 37.809 -8.654 1.00 0.00 WT1 H ATOM 25174 OH2 TIP3 8658 87.639 9.242 36.002 1.00 0.00 WT1 O ATOM 25175 H1 TIP3 8658 88.141 10.047 35.874 1.00 0.00 WT1 H ATOM 25176 H2 TIP3 8658 87.779 8.742 35.198 1.00 0.00 WT1 H ATOM 25177 OH2 TIP3 8659 88.857 64.093 33.673 1.00 0.00 WT1 O ATOM 25178 H1 TIP3 8659 88.593 63.379 34.254 1.00 0.00 WT1 H ATOM 25179 H2 TIP3 8659 88.115 64.202 33.077 1.00 0.00 WT1 H ATOM 25180 OH2 TIP3 8660 59.076 51.578 31.589 1.00 0.00 WT1 O ATOM 25181 H1 TIP3 8660 58.897 52.441 31.215 1.00 0.00 WT1 H ATOM 25182 H2 TIP3 8660 59.626 51.143 30.936 1.00 0.00 WT1 H ATOM 25183 OH2 TIP3 8662 81.513 75.011 40.131 1.00 0.00 WT1 O ATOM 25184 H1 TIP3 8662 80.750 74.870 40.691 1.00 0.00 WT1 H ATOM 25185 H2 TIP3 8662 81.974 74.172 40.138 1.00 0.00 WT1 H ATOM 25186 OH2 TIP3 8663 68.685 87.363 45.313 1.00 0.00 WT1 O ATOM 25187 H1 TIP3 8663 69.337 87.757 45.893 1.00 0.00 WT1 H ATOM 25188 H2 TIP3 8663 69.073 87.423 44.440 1.00 0.00 WT1 H ATOM 25189 OH2 TIP3 8665 82.790 32.681 55.785 1.00 0.00 WT1 O ATOM 25190 H1 TIP3 8665 83.455 32.904 55.135 1.00 0.00 WT1 H ATOM 25191 H2 TIP3 8665 82.917 33.319 56.487 1.00 0.00 WT1 H ATOM 25192 OH2 TIP3 8666 87.617 38.505 -2.274 1.00 0.00 WT1 O ATOM 25193 H1 TIP3 8666 87.319 39.368 -1.985 1.00 0.00 WT1 H ATOM 25194 H2 TIP3 8666 87.989 38.658 -3.142 1.00 0.00 WT1 H ATOM 25195 OH2 TIP3 8667 36.073 54.238 -5.588 1.00 0.00 WT1 O ATOM 25196 H1 TIP3 8667 37.015 54.367 -5.478 1.00 0.00 WT1 H ATOM 25197 H2 TIP3 8667 35.801 53.769 -4.799 1.00 0.00 WT1 H ATOM 25198 OH2 TIP3 8668 86.698 45.837 29.037 1.00 0.00 WT1 O ATOM 25199 H1 TIP3 8668 86.582 45.230 28.305 1.00 0.00 WT1 H ATOM 25200 H2 TIP3 8668 86.455 46.691 28.681 1.00 0.00 WT1 H ATOM 25201 OH2 TIP3 8669 24.848 18.625 33.004 1.00 0.00 WT1 O ATOM 25202 H1 TIP3 8669 25.291 17.871 32.613 1.00 0.00 WT1 H ATOM 25203 H2 TIP3 8669 23.932 18.355 33.075 1.00 0.00 WT1 H ATOM 25204 OH2 TIP3 8670 39.351 1.876 45.882 1.00 0.00 WT1 O ATOM 25205 H1 TIP3 8670 40.261 2.061 46.115 1.00 0.00 WT1 H ATOM 25206 H2 TIP3 8670 39.197 2.389 45.089 1.00 0.00 WT1 H ATOM 25207 OH2 TIP3 8671 68.339 84.463 -10.051 1.00 0.00 WT1 O ATOM 25208 H1 TIP3 8671 68.267 83.820 -10.756 1.00 0.00 WT1 H ATOM 25209 H2 TIP3 8671 68.240 85.309 -10.488 1.00 0.00 WT1 H ATOM 25210 OH2 TIP3 8672 49.614 13.806 43.840 1.00 0.00 WT1 O ATOM 25211 H1 TIP3 8672 49.029 13.191 44.284 1.00 0.00 WT1 H ATOM 25212 H2 TIP3 8672 50.247 13.250 43.386 1.00 0.00 WT1 H ATOM 25213 OH2 TIP3 8673 52.836 2.098 -7.012 1.00 0.00 WT1 O ATOM 25214 H1 TIP3 8673 53.038 2.884 -7.520 1.00 0.00 WT1 H ATOM 25215 H2 TIP3 8673 52.574 2.428 -6.153 1.00 0.00 WT1 H ATOM 25216 OH2 TIP3 8674 64.842 29.405 40.892 1.00 0.00 WT1 O ATOM 25217 H1 TIP3 8674 64.705 30.217 41.380 1.00 0.00 WT1 H ATOM 25218 H2 TIP3 8674 63.999 29.232 40.473 1.00 0.00 WT1 H ATOM 25219 OH2 TIP3 8675 30.912 72.806 40.263 1.00 0.00 WT1 O ATOM 25220 H1 TIP3 8675 30.432 72.108 39.815 1.00 0.00 WT1 H ATOM 25221 H2 TIP3 8675 31.822 72.681 39.995 1.00 0.00 WT1 H ATOM 25222 OH2 TIP3 8676 89.166 37.745 -7.344 1.00 0.00 WT1 O ATOM 25223 H1 TIP3 8676 89.860 38.023 -6.747 1.00 0.00 WT1 H ATOM 25224 H2 TIP3 8676 89.595 37.676 -8.197 1.00 0.00 WT1 H ATOM 25225 OH2 TIP3 8677 22.399 90.337 64.125 1.00 0.00 WT1 O ATOM 25226 H1 TIP3 8677 22.929 90.313 63.328 1.00 0.00 WT1 H ATOM 25227 H2 TIP3 8677 22.030 89.456 64.193 1.00 0.00 WT1 H ATOM 25228 OH2 TIP3 8678 87.610 43.791 -13.124 1.00 0.00 WT1 O ATOM 25229 H1 TIP3 8678 87.005 43.412 -13.761 1.00 0.00 WT1 H ATOM 25230 H2 TIP3 8678 88.416 43.943 -13.618 1.00 0.00 WT1 H ATOM 25231 OH2 TIP3 8679 46.590 11.061 -6.159 1.00 0.00 WT1 O ATOM 25232 H1 TIP3 8679 46.215 11.580 -5.448 1.00 0.00 WT1 H ATOM 25233 H2 TIP3 8679 47.287 11.611 -6.517 1.00 0.00 WT1 H ATOM 25234 OH2 TIP3 8680 65.683 46.964 -13.603 1.00 0.00 WT1 O ATOM 25235 H1 TIP3 8680 65.599 47.850 -13.252 1.00 0.00 WT1 H ATOM 25236 H2 TIP3 8680 65.561 46.392 -12.845 1.00 0.00 WT1 H ATOM 25237 OH2 TIP3 8681 84.135 15.312 -9.755 1.00 0.00 WT1 O ATOM 25238 H1 TIP3 8681 84.366 15.749 -10.575 1.00 0.00 WT1 H ATOM 25239 H2 TIP3 8681 83.731 15.998 -9.223 1.00 0.00 WT1 H ATOM 25240 OH2 TIP3 8682 83.402 46.380 -16.585 1.00 0.00 WT1 O ATOM 25241 H1 TIP3 8682 82.624 46.459 -17.138 1.00 0.00 WT1 H ATOM 25242 H2 TIP3 8682 84.069 46.007 -17.161 1.00 0.00 WT1 H ATOM 25243 OH2 TIP3 8683 33.508 43.643 -17.790 1.00 0.00 WT1 O ATOM 25244 H1 TIP3 8683 33.025 43.976 -17.034 1.00 0.00 WT1 H ATOM 25245 H2 TIP3 8683 34.157 44.321 -17.977 1.00 0.00 WT1 H ATOM 25246 OH2 TIP3 8684 22.589 38.895 48.636 1.00 0.00 WT1 O ATOM 25247 H1 TIP3 8684 22.646 39.720 48.153 1.00 0.00 WT1 H ATOM 25248 H2 TIP3 8684 23.287 38.353 48.268 1.00 0.00 WT1 H ATOM 25249 OH2 TIP3 8685 34.356 85.346 -1.968 1.00 0.00 WT1 O ATOM 25250 H1 TIP3 8685 34.962 85.859 -1.434 1.00 0.00 WT1 H ATOM 25251 H2 TIP3 8685 34.914 84.721 -2.432 1.00 0.00 WT1 H ATOM 25252 OH2 TIP3 8686 74.598 7.640 -5.971 1.00 0.00 WT1 O ATOM 25253 H1 TIP3 8686 73.854 7.580 -6.570 1.00 0.00 WT1 H ATOM 25254 H2 TIP3 8686 74.994 8.489 -6.165 1.00 0.00 WT1 H ATOM 25255 OH2 TIP3 8687 42.822 58.525 -2.589 1.00 0.00 WT1 O ATOM 25256 H1 TIP3 8687 43.680 58.139 -2.765 1.00 0.00 WT1 H ATOM 25257 H2 TIP3 8687 43.004 59.261 -2.005 1.00 0.00 WT1 H ATOM 25258 OH2 TIP3 8688 86.593 55.602 27.685 1.00 0.00 WT1 O ATOM 25259 H1 TIP3 8688 86.392 56.526 27.536 1.00 0.00 WT1 H ATOM 25260 H2 TIP3 8688 87.482 55.492 27.347 1.00 0.00 WT1 H ATOM 25261 OH2 TIP3 8690 75.544 59.843 40.602 1.00 0.00 WT1 O ATOM 25262 H1 TIP3 8690 75.748 60.482 41.285 1.00 0.00 WT1 H ATOM 25263 H2 TIP3 8690 74.792 59.360 40.943 1.00 0.00 WT1 H ATOM 25264 OH2 TIP3 8691 68.518 83.378 64.164 1.00 0.00 WT1 O ATOM 25265 H1 TIP3 8691 68.551 83.113 63.245 1.00 0.00 WT1 H ATOM 25266 H2 TIP3 8691 69.408 83.671 64.361 1.00 0.00 WT1 H ATOM 25267 OH2 TIP3 8692 78.660 84.943 2.174 1.00 0.00 WT1 O ATOM 25268 H1 TIP3 8692 79.022 84.899 3.059 1.00 0.00 WT1 H ATOM 25269 H2 TIP3 8692 78.687 85.873 1.950 1.00 0.00 WT1 H ATOM 25270 OH2 TIP3 8693 62.824 29.721 -4.702 1.00 0.00 WT1 O ATOM 25271 H1 TIP3 8693 62.721 29.073 -4.005 1.00 0.00 WT1 H ATOM 25272 H2 TIP3 8693 61.958 30.121 -4.788 1.00 0.00 WT1 H ATOM 25273 OH2 TIP3 8694 88.863 35.388 64.642 1.00 0.00 WT1 O ATOM 25274 H1 TIP3 8694 88.530 34.826 63.944 1.00 0.00 WT1 H ATOM 25275 H2 TIP3 8694 89.623 35.826 64.257 1.00 0.00 WT1 H ATOM 25276 OH2 TIP3 8695 66.780 91.924 20.253 1.00 0.00 WT1 O ATOM 25277 H1 TIP3 8695 66.615 91.299 20.958 1.00 0.00 WT1 H ATOM 25278 H2 TIP3 8695 66.072 91.771 19.627 1.00 0.00 WT1 H ATOM 25279 OH2 TIP3 8696 70.113 70.806 -11.273 1.00 0.00 WT1 O ATOM 25280 H1 TIP3 8696 69.746 70.010 -10.889 1.00 0.00 WT1 H ATOM 25281 H2 TIP3 8696 69.618 71.518 -10.867 1.00 0.00 WT1 H ATOM 25282 OH2 TIP3 8697 38.214 51.484 28.714 1.00 0.00 WT1 O ATOM 25283 H1 TIP3 8697 38.781 52.254 28.683 1.00 0.00 WT1 H ATOM 25284 H2 TIP3 8697 38.816 50.741 28.682 1.00 0.00 WT1 H ATOM 25285 OH2 TIP3 8698 79.235 5.503 46.325 1.00 0.00 WT1 O ATOM 25286 H1 TIP3 8698 79.531 5.253 45.450 1.00 0.00 WT1 H ATOM 25287 H2 TIP3 8698 79.027 6.435 46.250 1.00 0.00 WT1 H ATOM 25288 OH2 TIP3 8699 42.503 47.093 65.630 1.00 0.00 WT1 O ATOM 25289 H1 TIP3 8699 42.560 47.402 64.726 1.00 0.00 WT1 H ATOM 25290 H2 TIP3 8699 42.177 47.847 66.121 1.00 0.00 WT1 H ATOM 25291 OH2 TIP3 8700 26.990 47.678 64.127 1.00 0.00 WT1 O ATOM 25292 H1 TIP3 8700 26.587 48.133 63.388 1.00 0.00 WT1 H ATOM 25293 H2 TIP3 8700 27.520 48.346 64.561 1.00 0.00 WT1 H ATOM 25294 OH2 TIP3 8702 81.640 95.432 -13.255 1.00 0.00 WT1 O ATOM 25295 H1 TIP3 8702 82.481 95.043 -13.496 1.00 0.00 WT1 H ATOM 25296 H2 TIP3 8702 81.399 94.996 -12.438 1.00 0.00 WT1 H ATOM 25297 OH2 TIP3 8703 29.844 56.703 59.414 1.00 0.00 WT1 O ATOM 25298 H1 TIP3 8703 29.327 56.888 58.630 1.00 0.00 WT1 H ATOM 25299 H2 TIP3 8703 29.432 55.927 59.795 1.00 0.00 WT1 H ATOM 25300 OH2 TIP3 8704 26.182 47.641 11.368 1.00 0.00 WT1 O ATOM 25301 H1 TIP3 8704 26.623 47.351 12.166 1.00 0.00 WT1 H ATOM 25302 H2 TIP3 8704 26.766 48.301 10.996 1.00 0.00 WT1 H ATOM 25303 OH2 TIP3 8706 81.678 76.912 42.962 1.00 0.00 WT1 O ATOM 25304 H1 TIP3 8706 80.856 76.851 42.474 1.00 0.00 WT1 H ATOM 25305 H2 TIP3 8706 82.099 76.063 42.828 1.00 0.00 WT1 H ATOM 25306 OH2 TIP3 8707 85.139 73.752 2.159 1.00 0.00 WT1 O ATOM 25307 H1 TIP3 8707 85.481 72.879 1.965 1.00 0.00 WT1 H ATOM 25308 H2 TIP3 8707 85.868 74.206 2.584 1.00 0.00 WT1 H ATOM 25309 OH2 TIP3 8708 62.517 46.618 63.645 1.00 0.00 WT1 O ATOM 25310 H1 TIP3 8708 63.253 46.866 64.205 1.00 0.00 WT1 H ATOM 25311 H2 TIP3 8708 62.911 46.089 62.951 1.00 0.00 WT1 H ATOM 25312 OH2 TIP3 8709 28.244 55.639 36.523 1.00 0.00 WT1 O ATOM 25313 H1 TIP3 8709 29.063 55.853 36.074 1.00 0.00 WT1 H ATOM 25314 H2 TIP3 8709 27.703 55.226 35.850 1.00 0.00 WT1 H ATOM 25315 OH2 TIP3 8710 69.674 46.757 63.812 1.00 0.00 WT1 O ATOM 25316 H1 TIP3 8710 68.727 46.721 63.679 1.00 0.00 WT1 H ATOM 25317 H2 TIP3 8710 69.840 47.652 64.110 1.00 0.00 WT1 H ATOM 25318 OH2 TIP3 8711 23.280 29.625 21.154 1.00 0.00 WT1 O ATOM 25319 H1 TIP3 8711 23.278 30.577 21.060 1.00 0.00 WT1 H ATOM 25320 H2 TIP3 8711 24.061 29.339 20.680 1.00 0.00 WT1 H ATOM 25321 OH2 TIP3 8712 49.149 56.260 22.475 1.00 0.00 WT1 O ATOM 25322 H1 TIP3 8712 49.562 56.121 21.623 1.00 0.00 WT1 H ATOM 25323 H2 TIP3 8712 49.477 57.110 22.765 1.00 0.00 WT1 H ATOM 25324 OH2 TIP3 8713 52.679 37.930 13.199 1.00 0.00 WT1 O ATOM 25325 H1 TIP3 8713 52.444 38.677 13.750 1.00 0.00 WT1 H ATOM 25326 H2 TIP3 8713 51.858 37.454 13.078 1.00 0.00 WT1 H ATOM 25327 OH2 TIP3 8714 56.091 34.723 43.298 1.00 0.00 WT1 O ATOM 25328 H1 TIP3 8714 55.467 35.357 42.947 1.00 0.00 WT1 H ATOM 25329 H2 TIP3 8714 55.923 33.921 42.802 1.00 0.00 WT1 H ATOM 25330 OH2 TIP3 8715 54.666 34.479 8.164 1.00 0.00 WT1 O ATOM 25331 H1 TIP3 8715 54.308 35.363 8.240 1.00 0.00 WT1 H ATOM 25332 H2 TIP3 8715 54.010 33.918 8.577 1.00 0.00 WT1 H ATOM 25333 OH2 TIP3 8716 29.456 27.838 16.440 1.00 0.00 WT1 O ATOM 25334 H1 TIP3 8716 30.201 28.172 15.940 1.00 0.00 WT1 H ATOM 25335 H2 TIP3 8716 29.087 27.148 15.888 1.00 0.00 WT1 H ATOM 25336 OH2 TIP3 8717 69.743 31.750 12.297 1.00 0.00 WT1 O ATOM 25337 H1 TIP3 8717 70.094 31.080 11.710 1.00 0.00 WT1 H ATOM 25338 H2 TIP3 8717 68.796 31.711 12.165 1.00 0.00 WT1 H ATOM 25339 OH2 TIP3 8718 50.615 43.015 62.703 1.00 0.00 WT1 O ATOM 25340 H1 TIP3 8718 51.470 43.417 62.550 1.00 0.00 WT1 H ATOM 25341 H2 TIP3 8718 50.665 42.167 62.262 1.00 0.00 WT1 H ATOM 25342 OH2 TIP3 8719 38.099 72.337 32.105 1.00 0.00 WT1 O ATOM 25343 H1 TIP3 8719 38.908 72.814 32.286 1.00 0.00 WT1 H ATOM 25344 H2 TIP3 8719 38.374 71.424 32.014 1.00 0.00 WT1 H ATOM 25345 OH2 TIP3 8720 84.953 53.175 -4.491 1.00 0.00 WT1 O ATOM 25346 H1 TIP3 8720 85.631 52.502 -4.452 1.00 0.00 WT1 H ATOM 25347 H2 TIP3 8720 84.223 52.810 -3.990 1.00 0.00 WT1 H ATOM 25348 OH2 TIP3 8721 23.646 90.468 40.326 1.00 0.00 WT1 O ATOM 25349 H1 TIP3 8721 24.371 91.060 40.125 1.00 0.00 WT1 H ATOM 25350 H2 TIP3 8721 23.813 89.693 39.791 1.00 0.00 WT1 H ATOM 25351 OH2 TIP3 8722 41.640 77.294 -6.525 1.00 0.00 WT1 O ATOM 25352 H1 TIP3 8722 41.505 77.137 -5.591 1.00 0.00 WT1 H ATOM 25353 H2 TIP3 8722 42.589 77.382 -6.619 1.00 0.00 WT1 H ATOM 25354 OH2 TIP3 8723 79.573 71.970 44.077 1.00 0.00 WT1 O ATOM 25355 H1 TIP3 8723 79.800 72.224 44.971 1.00 0.00 WT1 H ATOM 25356 H2 TIP3 8723 80.381 71.603 43.719 1.00 0.00 WT1 H ATOM 25357 OH2 TIP3 8724 50.359 63.635 8.970 1.00 0.00 WT1 O ATOM 25358 H1 TIP3 8724 50.563 64.079 9.793 1.00 0.00 WT1 H ATOM 25359 H2 TIP3 8724 51.082 63.867 8.387 1.00 0.00 WT1 H ATOM 25360 OH2 TIP3 8725 53.307 70.502 6.529 1.00 0.00 WT1 O ATOM 25361 H1 TIP3 8725 54.114 70.013 6.691 1.00 0.00 WT1 H ATOM 25362 H2 TIP3 8725 52.638 70.036 7.030 1.00 0.00 WT1 H ATOM 25363 OH2 TIP3 8726 86.907 63.869 24.766 1.00 0.00 WT1 O ATOM 25364 H1 TIP3 8726 87.020 63.044 25.237 1.00 0.00 WT1 H ATOM 25365 H2 TIP3 8726 87.031 63.639 23.845 1.00 0.00 WT1 H ATOM 25366 OH2 TIP3 8727 42.341 52.797 29.278 1.00 0.00 WT1 O ATOM 25367 H1 TIP3 8727 42.899 53.173 29.959 1.00 0.00 WT1 H ATOM 25368 H2 TIP3 8727 42.765 53.045 28.457 1.00 0.00 WT1 H ATOM 25369 OH2 TIP3 8728 76.190 8.379 57.969 1.00 0.00 WT1 O ATOM 25370 H1 TIP3 8728 75.506 8.167 58.604 1.00 0.00 WT1 H ATOM 25371 H2 TIP3 8728 76.495 7.529 57.652 1.00 0.00 WT1 H ATOM 25372 OH2 TIP3 8729 25.442 84.651 23.355 1.00 0.00 WT1 O ATOM 25373 H1 TIP3 8729 26.030 85.406 23.345 1.00 0.00 WT1 H ATOM 25374 H2 TIP3 8729 25.413 84.356 22.445 1.00 0.00 WT1 H ATOM 25375 OH2 TIP3 8730 33.419 28.151 53.225 1.00 0.00 WT1 O ATOM 25376 H1 TIP3 8730 32.870 28.411 53.965 1.00 0.00 WT1 H ATOM 25377 H2 TIP3 8730 33.446 28.926 52.663 1.00 0.00 WT1 H ATOM 25378 OH2 TIP3 8731 21.331 65.818 17.068 1.00 0.00 WT1 O ATOM 25379 H1 TIP3 8731 21.938 65.507 17.739 1.00 0.00 WT1 H ATOM 25380 H2 TIP3 8731 21.605 66.719 16.895 1.00 0.00 WT1 H ATOM 25381 OH2 TIP3 8732 27.005 51.931 10.672 1.00 0.00 WT1 O ATOM 25382 H1 TIP3 8732 27.072 51.826 9.723 1.00 0.00 WT1 H ATOM 25383 H2 TIP3 8732 27.863 52.264 10.938 1.00 0.00 WT1 H ATOM 25384 OH2 TIP3 8733 72.478 52.128 13.208 1.00 0.00 WT1 O ATOM 25385 H1 TIP3 8733 71.720 52.026 12.633 1.00 0.00 WT1 H ATOM 25386 H2 TIP3 8733 73.018 51.357 13.032 1.00 0.00 WT1 H ATOM 25387 OH2 TIP3 8734 63.984 70.320 51.820 1.00 0.00 WT1 O ATOM 25388 H1 TIP3 8734 64.902 70.077 51.944 1.00 0.00 WT1 H ATOM 25389 H2 TIP3 8734 63.936 71.230 52.111 1.00 0.00 WT1 H ATOM 25390 OH2 TIP3 8735 89.452 85.157 -12.301 1.00 0.00 WT1 O ATOM 25391 H1 TIP3 8735 88.877 84.771 -11.640 1.00 0.00 WT1 H ATOM 25392 H2 TIP3 8735 89.619 84.446 -12.919 1.00 0.00 WT1 H ATOM 25393 OH2 TIP3 8736 69.937 48.645 1.942 1.00 0.00 WT1 O ATOM 25394 H1 TIP3 8736 70.575 49.304 2.215 1.00 0.00 WT1 H ATOM 25395 H2 TIP3 8736 69.117 49.129 1.846 1.00 0.00 WT1 H ATOM 25396 OH2 TIP3 8737 26.071 41.867 9.119 1.00 0.00 WT1 O ATOM 25397 H1 TIP3 8737 26.086 41.928 10.075 1.00 0.00 WT1 H ATOM 25398 H2 TIP3 8737 25.649 42.678 8.834 1.00 0.00 WT1 H ATOM 25399 OH2 TIP3 8738 79.686 47.854 64.137 1.00 0.00 WT1 O ATOM 25400 H1 TIP3 8738 79.366 48.742 63.978 1.00 0.00 WT1 H ATOM 25401 H2 TIP3 8738 79.591 47.730 65.081 1.00 0.00 WT1 H ATOM 25402 OH2 TIP3 8739 58.716 49.490 0.808 1.00 0.00 WT1 O ATOM 25403 H1 TIP3 8739 57.994 49.038 0.371 1.00 0.00 WT1 H ATOM 25404 H2 TIP3 8739 58.751 49.097 1.681 1.00 0.00 WT1 H ATOM 25405 OH2 TIP3 8740 41.080 25.363 -12.359 1.00 0.00 WT1 O ATOM 25406 H1 TIP3 8740 41.629 24.969 -13.037 1.00 0.00 WT1 H ATOM 25407 H2 TIP3 8740 40.536 25.995 -12.828 1.00 0.00 WT1 H ATOM 25408 OH2 TIP3 8741 22.855 45.359 -4.783 1.00 0.00 WT1 O ATOM 25409 H1 TIP3 8741 23.653 45.353 -4.255 1.00 0.00 WT1 H ATOM 25410 H2 TIP3 8741 22.150 45.502 -4.150 1.00 0.00 WT1 H ATOM 25411 OH2 TIP3 8742 55.366 79.983 0.318 1.00 0.00 WT1 O ATOM 25412 H1 TIP3 8742 55.134 79.737 1.214 1.00 0.00 WT1 H ATOM 25413 H2 TIP3 8742 55.369 79.156 -0.165 1.00 0.00 WT1 H ATOM 25414 OH2 TIP3 8743 24.092 34.359 39.109 1.00 0.00 WT1 O ATOM 25415 H1 TIP3 8743 23.378 34.053 38.549 1.00 0.00 WT1 H ATOM 25416 H2 TIP3 8743 23.998 33.853 39.916 1.00 0.00 WT1 H ATOM 25417 OH2 TIP3 8744 74.700 37.197 7.379 1.00 0.00 WT1 O ATOM 25418 H1 TIP3 8744 74.053 37.487 8.023 1.00 0.00 WT1 H ATOM 25419 H2 TIP3 8744 74.915 36.302 7.642 1.00 0.00 WT1 H ATOM 25420 OH2 TIP3 8745 85.080 81.229 36.214 1.00 0.00 WT1 O ATOM 25421 H1 TIP3 8745 85.076 80.330 36.543 1.00 0.00 WT1 H ATOM 25422 H2 TIP3 8745 84.157 81.481 36.192 1.00 0.00 WT1 H ATOM 25423 OH2 TIP3 8746 56.761 53.366 -13.960 1.00 0.00 WT1 O ATOM 25424 H1 TIP3 8746 55.805 53.374 -14.008 1.00 0.00 WT1 H ATOM 25425 H2 TIP3 8746 56.972 52.540 -13.525 1.00 0.00 WT1 H ATOM 25426 OH2 TIP3 8747 86.589 51.075 56.753 1.00 0.00 WT1 O ATOM 25427 H1 TIP3 8747 87.399 51.205 56.260 1.00 0.00 WT1 H ATOM 25428 H2 TIP3 8747 86.127 51.911 56.680 1.00 0.00 WT1 H ATOM 25429 OH2 TIP3 8748 36.030 7.237 24.981 1.00 0.00 WT1 O ATOM 25430 H1 TIP3 8748 36.405 6.560 25.544 1.00 0.00 WT1 H ATOM 25431 H2 TIP3 8748 36.296 8.062 25.386 1.00 0.00 WT1 H ATOM 25432 OH2 TIP3 8749 66.319 94.458 -19.017 1.00 0.00 WT1 O ATOM 25433 H1 TIP3 8749 67.118 94.948 -18.823 1.00 0.00 WT1 H ATOM 25434 H2 TIP3 8749 65.653 95.131 -19.160 1.00 0.00 WT1 H ATOM 25435 OH2 TIP3 8750 66.184 69.079 21.381 1.00 0.00 WT1 O ATOM 25436 H1 TIP3 8750 66.165 69.330 20.458 1.00 0.00 WT1 H ATOM 25437 H2 TIP3 8750 65.990 68.141 21.379 1.00 0.00 WT1 H ATOM 25438 OH2 TIP3 8751 35.208 70.925 53.185 1.00 0.00 WT1 O ATOM 25439 H1 TIP3 8751 34.296 70.634 53.203 1.00 0.00 WT1 H ATOM 25440 H2 TIP3 8751 35.168 71.816 52.838 1.00 0.00 WT1 H ATOM 25441 OH2 TIP3 8752 79.268 77.196 -7.412 1.00 0.00 WT1 O ATOM 25442 H1 TIP3 8752 78.365 77.142 -7.724 1.00 0.00 WT1 H ATOM 25443 H2 TIP3 8752 79.599 78.016 -7.778 1.00 0.00 WT1 H ATOM 25444 OH2 TIP3 8753 51.691 85.116 38.921 1.00 0.00 WT1 O ATOM 25445 H1 TIP3 8753 52.210 85.893 39.129 1.00 0.00 WT1 H ATOM 25446 H2 TIP3 8753 52.177 84.685 38.217 1.00 0.00 WT1 H ATOM 25447 OH2 TIP3 8754 23.956 20.967 -6.088 1.00 0.00 WT1 O ATOM 25448 H1 TIP3 8754 24.352 21.506 -5.403 1.00 0.00 WT1 H ATOM 25449 H2 TIP3 8754 23.434 21.581 -6.605 1.00 0.00 WT1 H ATOM 25450 OH2 TIP3 8755 85.112 38.263 7.229 1.00 0.00 WT1 O ATOM 25451 H1 TIP3 8755 85.816 38.586 6.666 1.00 0.00 WT1 H ATOM 25452 H2 TIP3 8755 84.473 38.976 7.246 1.00 0.00 WT1 H ATOM 25453 OH2 TIP3 8756 38.012 34.398 55.844 1.00 0.00 WT1 O ATOM 25454 H1 TIP3 8756 37.601 34.354 54.981 1.00 0.00 WT1 H ATOM 25455 H2 TIP3 8756 38.719 33.753 55.807 1.00 0.00 WT1 H ATOM 25456 OH2 TIP3 8757 50.896 30.631 32.013 1.00 0.00 WT1 O ATOM 25457 H1 TIP3 8757 51.803 30.628 31.707 1.00 0.00 WT1 H ATOM 25458 H2 TIP3 8757 50.477 31.334 31.516 1.00 0.00 WT1 H ATOM 25459 OH2 TIP3 8758 42.833 18.734 54.429 1.00 0.00 WT1 O ATOM 25460 H1 TIP3 8758 42.207 19.331 54.017 1.00 0.00 WT1 H ATOM 25461 H2 TIP3 8758 43.590 19.284 54.632 1.00 0.00 WT1 H ATOM 25462 OH2 TIP3 8759 24.997 73.512 34.520 1.00 0.00 WT1 O ATOM 25463 H1 TIP3 8759 24.478 74.080 33.950 1.00 0.00 WT1 H ATOM 25464 H2 TIP3 8759 25.858 73.477 34.103 1.00 0.00 WT1 H ATOM 25465 OH2 TIP3 8760 83.259 54.185 -1.149 1.00 0.00 WT1 O ATOM 25466 H1 TIP3 8760 84.007 54.243 -0.554 1.00 0.00 WT1 H ATOM 25467 H2 TIP3 8760 82.511 54.465 -0.621 1.00 0.00 WT1 H ATOM 25468 OH2 TIP3 8761 78.000 83.251 23.445 1.00 0.00 WT1 O ATOM 25469 H1 TIP3 8761 77.549 82.431 23.647 1.00 0.00 WT1 H ATOM 25470 H2 TIP3 8761 78.610 83.023 22.744 1.00 0.00 WT1 H ATOM 25471 OH2 TIP3 8762 34.610 83.415 17.286 1.00 0.00 WT1 O ATOM 25472 H1 TIP3 8762 34.334 82.622 16.825 1.00 0.00 WT1 H ATOM 25473 H2 TIP3 8762 33.957 83.530 17.977 1.00 0.00 WT1 H ATOM 25474 OH2 TIP3 8763 36.949 64.893 12.395 1.00 0.00 WT1 O ATOM 25475 H1 TIP3 8763 37.563 65.558 12.708 1.00 0.00 WT1 H ATOM 25476 H2 TIP3 8763 37.318 64.064 12.699 1.00 0.00 WT1 H ATOM 25477 OH2 TIP3 8764 72.475 45.251 43.409 1.00 0.00 WT1 O ATOM 25478 H1 TIP3 8764 72.285 45.906 42.737 1.00 0.00 WT1 H ATOM 25479 H2 TIP3 8764 73.330 44.897 43.164 1.00 0.00 WT1 H ATOM 25480 OH2 TIP3 8765 45.376 79.366 -18.744 1.00 0.00 WT1 O ATOM 25481 H1 TIP3 8765 44.595 79.771 -19.121 1.00 0.00 WT1 H ATOM 25482 H2 TIP3 8765 45.852 79.016 -19.497 1.00 0.00 WT1 H ATOM 25483 OH2 TIP3 8766 60.918 22.733 46.604 1.00 0.00 WT1 O ATOM 25484 H1 TIP3 8766 60.786 23.318 45.858 1.00 0.00 WT1 H ATOM 25485 H2 TIP3 8766 60.310 22.009 46.453 1.00 0.00 WT1 H ATOM 25486 OH2 TIP3 8767 81.564 16.558 -10.788 1.00 0.00 WT1 O ATOM 25487 H1 TIP3 8767 81.983 16.048 -10.095 1.00 0.00 WT1 H ATOM 25488 H2 TIP3 8767 81.205 15.902 -11.386 1.00 0.00 WT1 H ATOM 25489 OH2 TIP3 8768 59.870 70.867 54.789 1.00 0.00 WT1 O ATOM 25490 H1 TIP3 8768 59.685 70.034 55.222 1.00 0.00 WT1 H ATOM 25491 H2 TIP3 8768 60.231 70.620 53.938 1.00 0.00 WT1 H ATOM 25492 OH2 TIP3 8769 72.864 67.625 -7.048 1.00 0.00 WT1 O ATOM 25493 H1 TIP3 8769 72.766 66.780 -6.610 1.00 0.00 WT1 H ATOM 25494 H2 TIP3 8769 72.043 68.084 -6.872 1.00 0.00 WT1 H ATOM 25495 OH2 TIP3 8770 32.355 48.071 39.221 1.00 0.00 WT1 O ATOM 25496 H1 TIP3 8770 32.083 47.159 39.322 1.00 0.00 WT1 H ATOM 25497 H2 TIP3 8770 32.326 48.228 38.278 1.00 0.00 WT1 H ATOM 25498 OH2 TIP3 8771 45.846 46.691 8.183 1.00 0.00 WT1 O ATOM 25499 H1 TIP3 8771 46.746 46.810 7.880 1.00 0.00 WT1 H ATOM 25500 H2 TIP3 8771 45.819 45.790 8.507 1.00 0.00 WT1 H ATOM 25501 OH2 TIP3 8772 44.387 81.561 48.412 1.00 0.00 WT1 O ATOM 25502 H1 TIP3 8772 44.752 81.741 49.278 1.00 0.00 WT1 H ATOM 25503 H2 TIP3 8772 43.472 81.336 48.578 1.00 0.00 WT1 H ATOM 25504 OH2 TIP3 8773 62.941 85.982 48.605 1.00 0.00 WT1 O ATOM 25505 H1 TIP3 8773 62.291 85.741 47.946 1.00 0.00 WT1 H ATOM 25506 H2 TIP3 8773 62.664 85.520 49.396 1.00 0.00 WT1 H ATOM 25507 OH2 TIP3 8774 20.312 67.978 0.348 1.00 0.00 WT1 O ATOM 25508 H1 TIP3 8774 20.613 67.086 0.175 1.00 0.00 WT1 H ATOM 25509 H2 TIP3 8774 20.538 68.133 1.265 1.00 0.00 WT1 H ATOM 25510 OH2 TIP3 8775 37.233 55.344 54.076 1.00 0.00 WT1 O ATOM 25511 H1 TIP3 8775 37.063 54.600 54.654 1.00 0.00 WT1 H ATOM 25512 H2 TIP3 8775 36.424 55.855 54.097 1.00 0.00 WT1 H ATOM 25513 OH2 TIP3 8776 53.538 41.126 30.755 1.00 0.00 WT1 O ATOM 25514 H1 TIP3 8776 54.011 40.547 30.157 1.00 0.00 WT1 H ATOM 25515 H2 TIP3 8776 52.867 40.568 31.148 1.00 0.00 WT1 H ATOM 25516 OH2 TIP3 8777 21.784 44.678 40.250 1.00 0.00 WT1 O ATOM 25517 H1 TIP3 8777 21.992 45.118 39.426 1.00 0.00 WT1 H ATOM 25518 H2 TIP3 8777 20.844 44.817 40.366 1.00 0.00 WT1 H ATOM 25519 OH2 TIP3 8778 33.954 91.698 15.742 1.00 0.00 WT1 O ATOM 25520 H1 TIP3 8778 34.613 92.333 16.023 1.00 0.00 WT1 H ATOM 25521 H2 TIP3 8778 34.303 90.851 16.021 1.00 0.00 WT1 H ATOM 25522 OH2 TIP3 8779 39.439 15.646 -12.105 1.00 0.00 WT1 O ATOM 25523 H1 TIP3 8779 39.306 16.491 -12.535 1.00 0.00 WT1 H ATOM 25524 H2 TIP3 8779 38.601 15.458 -11.683 1.00 0.00 WT1 H ATOM 25525 OH2 TIP3 8780 83.417 71.309 53.925 1.00 0.00 WT1 O ATOM 25526 H1 TIP3 8780 84.296 71.601 54.166 1.00 0.00 WT1 H ATOM 25527 H2 TIP3 8780 82.832 71.939 54.343 1.00 0.00 WT1 H ATOM 25528 OH2 TIP3 8781 81.789 44.066 19.576 1.00 0.00 WT1 O ATOM 25529 H1 TIP3 8781 81.338 43.796 18.776 1.00 0.00 WT1 H ATOM 25530 H2 TIP3 8781 82.534 44.583 19.269 1.00 0.00 WT1 H ATOM 25531 OH2 TIP3 8782 56.830 6.375 27.094 1.00 0.00 WT1 O ATOM 25532 H1 TIP3 8782 57.702 6.030 26.906 1.00 0.00 WT1 H ATOM 25533 H2 TIP3 8782 56.874 6.657 28.007 1.00 0.00 WT1 H ATOM 25534 OH2 TIP3 8783 76.203 49.283 29.866 1.00 0.00 WT1 O ATOM 25535 H1 TIP3 8783 75.274 49.513 29.848 1.00 0.00 WT1 H ATOM 25536 H2 TIP3 8783 76.397 49.139 30.792 1.00 0.00 WT1 H ATOM 25537 OH2 TIP3 8784 34.403 21.662 5.191 1.00 0.00 WT1 O ATOM 25538 H1 TIP3 8784 35.279 21.886 5.506 1.00 0.00 WT1 H ATOM 25539 H2 TIP3 8784 33.937 21.362 5.971 1.00 0.00 WT1 H ATOM 25540 OH2 TIP3 8785 71.681 17.453 -15.778 1.00 0.00 WT1 O ATOM 25541 H1 TIP3 8785 72.551 17.123 -16.000 1.00 0.00 WT1 H ATOM 25542 H2 TIP3 8785 71.087 16.974 -16.356 1.00 0.00 WT1 H ATOM 25543 OH2 TIP3 8786 55.683 66.789 61.225 1.00 0.00 WT1 O ATOM 25544 H1 TIP3 8786 55.256 67.581 61.550 1.00 0.00 WT1 H ATOM 25545 H2 TIP3 8786 55.621 66.856 60.272 1.00 0.00 WT1 H ATOM 25546 OH2 TIP3 8787 74.751 26.139 27.676 1.00 0.00 WT1 O ATOM 25547 H1 TIP3 8787 74.238 25.981 28.469 1.00 0.00 WT1 H ATOM 25548 H2 TIP3 8787 75.518 25.574 27.770 1.00 0.00 WT1 H ATOM 25549 OH2 TIP3 8788 71.525 14.494 39.530 1.00 0.00 WT1 O ATOM 25550 H1 TIP3 8788 70.686 14.254 39.137 1.00 0.00 WT1 H ATOM 25551 H2 TIP3 8788 72.132 13.814 39.236 1.00 0.00 WT1 H ATOM 25552 OH2 TIP3 8789 86.129 54.689 -14.075 1.00 0.00 WT1 O ATOM 25553 H1 TIP3 8789 86.811 55.202 -13.641 1.00 0.00 WT1 H ATOM 25554 H2 TIP3 8789 86.554 53.859 -14.290 1.00 0.00 WT1 H ATOM 25555 OH2 TIP3 8790 70.160 31.284 33.074 1.00 0.00 WT1 O ATOM 25556 H1 TIP3 8790 69.340 30.876 33.352 1.00 0.00 WT1 H ATOM 25557 H2 TIP3 8790 69.922 32.189 32.873 1.00 0.00 WT1 H ATOM 25558 OH2 TIP3 8791 53.342 60.372 17.343 1.00 0.00 WT1 O ATOM 25559 H1 TIP3 8791 53.485 59.651 17.957 1.00 0.00 WT1 H ATOM 25560 H2 TIP3 8791 52.548 60.127 16.867 1.00 0.00 WT1 H ATOM 25561 OH2 TIP3 8793 24.232 79.886 30.294 1.00 0.00 WT1 O ATOM 25562 H1 TIP3 8793 24.089 79.749 29.358 1.00 0.00 WT1 H ATOM 25563 H2 TIP3 8793 23.588 80.549 30.541 1.00 0.00 WT1 H ATOM 25564 OH2 TIP3 8794 66.189 51.994 63.098 1.00 0.00 WT1 O ATOM 25565 H1 TIP3 8794 65.469 51.724 62.528 1.00 0.00 WT1 H ATOM 25566 H2 TIP3 8794 66.621 52.701 62.618 1.00 0.00 WT1 H ATOM 25567 OH2 TIP3 8795 79.335 79.292 3.117 1.00 0.00 WT1 O ATOM 25568 H1 TIP3 8795 79.222 78.942 4.001 1.00 0.00 WT1 H ATOM 25569 H2 TIP3 8795 78.980 80.179 3.163 1.00 0.00 WT1 H ATOM 25570 OH2 TIP3 8797 66.103 45.653 10.224 1.00 0.00 WT1 O ATOM 25571 H1 TIP3 8797 65.484 45.947 9.555 1.00 0.00 WT1 H ATOM 25572 H2 TIP3 8797 65.643 45.789 11.052 1.00 0.00 WT1 H ATOM 25573 OH2 TIP3 8798 33.717 94.251 -8.791 1.00 0.00 WT1 O ATOM 25574 H1 TIP3 8798 34.134 95.030 -9.159 1.00 0.00 WT1 H ATOM 25575 H2 TIP3 8798 34.013 94.229 -7.880 1.00 0.00 WT1 H ATOM 25576 OH2 TIP3 8799 43.795 41.268 51.253 1.00 0.00 WT1 O ATOM 25577 H1 TIP3 8799 42.843 41.208 51.167 1.00 0.00 WT1 H ATOM 25578 H2 TIP3 8799 44.045 41.974 50.656 1.00 0.00 WT1 H ATOM 25579 OH2 TIP3 8800 85.828 16.882 49.752 1.00 0.00 WT1 O ATOM 25580 H1 TIP3 8800 85.361 16.548 48.986 1.00 0.00 WT1 H ATOM 25581 H2 TIP3 8800 86.718 16.540 49.658 1.00 0.00 WT1 H ATOM 25582 OH2 TIP3 8801 41.026 13.851 -10.586 1.00 0.00 WT1 O ATOM 25583 H1 TIP3 8801 41.043 14.099 -9.661 1.00 0.00 WT1 H ATOM 25584 H2 TIP3 8801 40.378 14.435 -10.979 1.00 0.00 WT1 H ATOM 25585 OH2 TIP3 8802 46.607 32.179 -19.769 1.00 0.00 WT1 O ATOM 25586 H1 TIP3 8802 45.881 31.882 -19.220 1.00 0.00 WT1 H ATOM 25587 H2 TIP3 8802 46.329 33.036 -20.092 1.00 0.00 WT1 H ATOM 25588 OH2 TIP3 8803 60.141 8.348 25.784 1.00 0.00 WT1 O ATOM 25589 H1 TIP3 8803 59.983 7.404 25.810 1.00 0.00 WT1 H ATOM 25590 H2 TIP3 8803 60.236 8.550 24.853 1.00 0.00 WT1 H ATOM 25591 OH2 TIP3 8804 68.724 69.550 -2.663 1.00 0.00 WT1 O ATOM 25592 H1 TIP3 8804 69.405 69.021 -2.249 1.00 0.00 WT1 H ATOM 25593 H2 TIP3 8804 67.923 69.036 -2.557 1.00 0.00 WT1 H ATOM 25594 OH2 TIP3 8805 79.096 16.816 46.393 1.00 0.00 WT1 O ATOM 25595 H1 TIP3 8805 79.630 16.248 45.838 1.00 0.00 WT1 H ATOM 25596 H2 TIP3 8805 78.201 16.685 46.079 1.00 0.00 WT1 H ATOM 25597 OH2 TIP3 8806 22.018 59.377 9.383 1.00 0.00 WT1 O ATOM 25598 H1 TIP3 8806 21.290 59.005 9.880 1.00 0.00 WT1 H ATOM 25599 H2 TIP3 8806 22.779 58.861 9.650 1.00 0.00 WT1 H ATOM 25600 OH2 TIP3 8808 50.153 70.633 -18.427 1.00 0.00 WT1 O ATOM 25601 H1 TIP3 8808 50.206 71.279 -17.723 1.00 0.00 WT1 H ATOM 25602 H2 TIP3 8808 49.540 69.974 -18.101 1.00 0.00 WT1 H ATOM 25603 OH2 TIP3 8809 74.683 56.027 -7.468 1.00 0.00 WT1 O ATOM 25604 H1 TIP3 8809 75.566 56.248 -7.764 1.00 0.00 WT1 H ATOM 25605 H2 TIP3 8809 74.819 55.430 -6.732 1.00 0.00 WT1 H ATOM 25606 OH2 TIP3 8810 77.489 63.068 6.285 1.00 0.00 WT1 O ATOM 25607 H1 TIP3 8810 78.182 62.940 5.638 1.00 0.00 WT1 H ATOM 25608 H2 TIP3 8810 77.418 64.018 6.376 1.00 0.00 WT1 H ATOM 25609 OH2 TIP3 8811 35.192 81.272 19.375 1.00 0.00 WT1 O ATOM 25610 H1 TIP3 8811 34.285 81.106 19.116 1.00 0.00 WT1 H ATOM 25611 H2 TIP3 8811 35.317 80.739 20.161 1.00 0.00 WT1 H ATOM 25612 OH2 TIP3 8812 88.165 61.106 29.170 1.00 0.00 WT1 O ATOM 25613 H1 TIP3 8812 87.536 61.819 29.052 1.00 0.00 WT1 H ATOM 25614 H2 TIP3 8812 88.537 60.969 28.299 1.00 0.00 WT1 H ATOM 25615 OH2 TIP3 8813 27.222 14.207 48.146 1.00 0.00 WT1 O ATOM 25616 H1 TIP3 8813 26.634 14.516 48.835 1.00 0.00 WT1 H ATOM 25617 H2 TIP3 8813 28.073 14.124 48.577 1.00 0.00 WT1 H ATOM 25618 OH2 TIP3 8815 22.973 64.648 30.200 1.00 0.00 WT1 O ATOM 25619 H1 TIP3 8815 22.668 65.355 29.631 1.00 0.00 WT1 H ATOM 25620 H2 TIP3 8815 23.400 64.029 29.607 1.00 0.00 WT1 H ATOM 25621 OH2 TIP3 8816 29.217 69.369 29.158 1.00 0.00 WT1 O ATOM 25622 H1 TIP3 8816 30.152 69.565 29.093 1.00 0.00 WT1 H ATOM 25623 H2 TIP3 8816 29.025 69.421 30.094 1.00 0.00 WT1 H ATOM 25624 OH2 TIP3 8817 76.817 67.469 8.022 1.00 0.00 WT1 O ATOM 25625 H1 TIP3 8817 77.089 67.098 7.182 1.00 0.00 WT1 H ATOM 25626 H2 TIP3 8817 77.424 67.091 8.658 1.00 0.00 WT1 H ATOM 25627 OH2 TIP3 8818 71.574 89.124 4.116 1.00 0.00 WT1 O ATOM 25628 H1 TIP3 8818 71.144 88.611 4.800 1.00 0.00 WT1 H ATOM 25629 H2 TIP3 8818 71.417 88.630 3.311 1.00 0.00 WT1 H ATOM 25630 OH2 TIP3 8819 27.259 88.905 2.326 1.00 0.00 WT1 O ATOM 25631 H1 TIP3 8819 26.786 88.456 3.027 1.00 0.00 WT1 H ATOM 25632 H2 TIP3 8819 27.351 89.806 2.638 1.00 0.00 WT1 H ATOM 25633 OH2 TIP3 8820 62.289 28.932 21.382 1.00 0.00 WT1 O ATOM 25634 H1 TIP3 8820 62.071 28.288 22.056 1.00 0.00 WT1 H ATOM 25635 H2 TIP3 8820 61.467 29.075 20.913 1.00 0.00 WT1 H ATOM 25636 OH2 TIP3 8821 22.602 71.713 19.771 1.00 0.00 WT1 O ATOM 25637 H1 TIP3 8821 22.162 70.931 20.106 1.00 0.00 WT1 H ATOM 25638 H2 TIP3 8821 23.069 71.411 18.993 1.00 0.00 WT1 H ATOM 25639 OH2 TIP3 8822 36.418 39.585 36.993 1.00 0.00 WT1 O ATOM 25640 H1 TIP3 8822 36.625 40.473 37.285 1.00 0.00 WT1 H ATOM 25641 H2 TIP3 8822 36.636 39.582 36.061 1.00 0.00 WT1 H ATOM 25642 OH2 TIP3 8823 80.078 18.497 9.943 1.00 0.00 WT1 O ATOM 25643 H1 TIP3 8823 79.566 19.303 10.017 1.00 0.00 WT1 H ATOM 25644 H2 TIP3 8823 79.433 17.795 10.019 1.00 0.00 WT1 H ATOM 25645 OH2 TIP3 8824 32.490 28.901 20.981 1.00 0.00 WT1 O ATOM 25646 H1 TIP3 8824 32.872 28.858 21.857 1.00 0.00 WT1 H ATOM 25647 H2 TIP3 8824 32.754 28.081 20.563 1.00 0.00 WT1 H ATOM 25648 OH2 TIP3 8825 74.664 76.147 2.153 1.00 0.00 WT1 O ATOM 25649 H1 TIP3 8825 74.228 75.832 2.944 1.00 0.00 WT1 H ATOM 25650 H2 TIP3 8825 75.316 75.475 1.953 1.00 0.00 WT1 H ATOM 25651 OH2 TIP3 8827 71.096 73.359 16.039 1.00 0.00 WT1 O ATOM 25652 H1 TIP3 8827 70.849 73.515 16.951 1.00 0.00 WT1 H ATOM 25653 H2 TIP3 8827 70.363 72.866 15.672 1.00 0.00 WT1 H ATOM 25654 OH2 TIP3 8828 34.839 40.750 17.938 1.00 0.00 WT1 O ATOM 25655 H1 TIP3 8828 35.199 40.893 18.814 1.00 0.00 WT1 H ATOM 25656 H2 TIP3 8828 35.355 40.027 17.582 1.00 0.00 WT1 H ATOM 25657 OH2 TIP3 8829 70.037 21.852 10.767 1.00 0.00 WT1 O ATOM 25658 H1 TIP3 8829 69.373 21.768 11.452 1.00 0.00 WT1 H ATOM 25659 H2 TIP3 8829 70.870 21.851 11.238 1.00 0.00 WT1 H ATOM 25660 OH2 TIP3 8830 53.380 66.676 8.631 1.00 0.00 WT1 O ATOM 25661 H1 TIP3 8830 54.034 65.979 8.577 1.00 0.00 WT1 H ATOM 25662 H2 TIP3 8830 53.232 66.794 9.570 1.00 0.00 WT1 H ATOM 25663 OH2 TIP3 8832 56.963 67.917 20.253 1.00 0.00 WT1 O ATOM 25664 H1 TIP3 8832 56.367 67.806 19.512 1.00 0.00 WT1 H ATOM 25665 H2 TIP3 8832 57.594 67.203 20.162 1.00 0.00 WT1 H ATOM 25666 OH2 TIP3 8833 34.943 63.608 -12.234 1.00 0.00 WT1 O ATOM 25667 H1 TIP3 8833 35.412 63.344 -13.026 1.00 0.00 WT1 H ATOM 25668 H2 TIP3 8833 35.244 62.997 -11.561 1.00 0.00 WT1 H ATOM 25669 OH2 TIP3 8834 77.429 31.492 3.259 1.00 0.00 WT1 O ATOM 25670 H1 TIP3 8834 77.738 31.255 4.134 1.00 0.00 WT1 H ATOM 25671 H2 TIP3 8834 77.319 30.655 2.809 1.00 0.00 WT1 H ATOM 25672 OH2 TIP3 8835 66.475 61.027 24.412 1.00 0.00 WT1 O ATOM 25673 H1 TIP3 8835 66.158 60.566 23.635 1.00 0.00 WT1 H ATOM 25674 H2 TIP3 8835 65.741 60.995 25.025 1.00 0.00 WT1 H ATOM 25675 OH2 TIP3 8836 39.910 39.743 37.119 1.00 0.00 WT1 O ATOM 25676 H1 TIP3 8836 39.345 40.205 36.500 1.00 0.00 WT1 H ATOM 25677 H2 TIP3 8836 40.782 40.107 36.966 1.00 0.00 WT1 H ATOM 25678 OH2 TIP3 8837 33.853 86.076 6.168 1.00 0.00 WT1 O ATOM 25679 H1 TIP3 8837 32.942 85.976 6.445 1.00 0.00 WT1 H ATOM 25680 H2 TIP3 8837 34.129 85.190 5.930 1.00 0.00 WT1 H ATOM 25681 OH2 TIP3 8839 85.520 19.220 45.815 1.00 0.00 WT1 O ATOM 25682 H1 TIP3 8839 85.551 18.278 45.644 1.00 0.00 WT1 H ATOM 25683 H2 TIP3 8839 85.445 19.619 44.948 1.00 0.00 WT1 H ATOM 25684 OH2 TIP3 8840 47.329 7.449 52.018 1.00 0.00 WT1 O ATOM 25685 H1 TIP3 8840 47.981 8.145 51.936 1.00 0.00 WT1 H ATOM 25686 H2 TIP3 8840 47.615 6.940 52.776 1.00 0.00 WT1 H ATOM 25687 OH2 TIP3 8841 65.586 65.168 46.561 1.00 0.00 WT1 O ATOM 25688 H1 TIP3 8841 65.570 65.783 45.828 1.00 0.00 WT1 H ATOM 25689 H2 TIP3 8841 64.724 64.753 46.545 1.00 0.00 WT1 H ATOM 25690 OH2 TIP3 8842 75.016 6.533 34.348 1.00 0.00 WT1 O ATOM 25691 H1 TIP3 8842 75.418 7.384 34.521 1.00 0.00 WT1 H ATOM 25692 H2 TIP3 8842 75.690 6.039 33.881 1.00 0.00 WT1 H ATOM 25693 OH2 TIP3 8843 68.133 57.303 -2.961 1.00 0.00 WT1 O ATOM 25694 H1 TIP3 8843 68.514 56.900 -2.181 1.00 0.00 WT1 H ATOM 25695 H2 TIP3 8843 68.393 58.223 -2.907 1.00 0.00 WT1 H ATOM 25696 OH2 TIP3 8844 61.158 6.947 3.438 1.00 0.00 WT1 O ATOM 25697 H1 TIP3 8844 61.646 6.995 2.616 1.00 0.00 WT1 H ATOM 25698 H2 TIP3 8844 61.575 7.597 4.003 1.00 0.00 WT1 H ATOM 25699 OH2 TIP3 8845 78.125 2.790 34.906 1.00 0.00 WT1 O ATOM 25700 H1 TIP3 8845 77.644 2.156 35.439 1.00 0.00 WT1 H ATOM 25701 H2 TIP3 8845 77.650 2.814 34.075 1.00 0.00 WT1 H ATOM 25702 OH2 TIP3 8846 61.429 15.903 21.991 1.00 0.00 WT1 O ATOM 25703 H1 TIP3 8846 60.701 15.523 21.499 1.00 0.00 WT1 H ATOM 25704 H2 TIP3 8846 62.182 15.823 21.406 1.00 0.00 WT1 H ATOM 25705 OH2 TIP3 8847 74.384 41.801 16.896 1.00 0.00 WT1 O ATOM 25706 H1 TIP3 8847 75.064 42.435 17.121 1.00 0.00 WT1 H ATOM 25707 H2 TIP3 8847 73.673 41.982 17.511 1.00 0.00 WT1 H ATOM 25708 OH2 TIP3 8848 25.400 88.239 -19.380 1.00 0.00 WT1 O ATOM 25709 H1 TIP3 8848 25.522 88.562 -20.273 1.00 0.00 WT1 H ATOM 25710 H2 TIP3 8848 24.468 88.368 -19.202 1.00 0.00 WT1 H ATOM 25711 OH2 TIP3 8849 85.229 77.820 -3.158 1.00 0.00 WT1 O ATOM 25712 H1 TIP3 8849 84.693 77.065 -3.398 1.00 0.00 WT1 H ATOM 25713 H2 TIP3 8849 85.585 78.136 -3.988 1.00 0.00 WT1 H ATOM 25714 OH2 TIP3 8850 36.570 84.025 60.770 1.00 0.00 WT1 O ATOM 25715 H1 TIP3 8850 37.466 84.292 60.563 1.00 0.00 WT1 H ATOM 25716 H2 TIP3 8850 36.547 83.089 60.570 1.00 0.00 WT1 H ATOM 25717 OH2 TIP3 8851 20.226 54.492 6.714 1.00 0.00 WT1 O ATOM 25718 H1 TIP3 8851 20.661 54.611 7.558 1.00 0.00 WT1 H ATOM 25719 H2 TIP3 8851 20.468 53.606 6.443 1.00 0.00 WT1 H ATOM 25720 OH2 TIP3 8852 62.407 52.526 5.265 1.00 0.00 WT1 O ATOM 25721 H1 TIP3 8852 61.822 53.040 5.822 1.00 0.00 WT1 H ATOM 25722 H2 TIP3 8852 63.145 52.304 5.832 1.00 0.00 WT1 H ATOM 25723 OH2 TIP3 8853 75.938 92.106 4.887 1.00 0.00 WT1 O ATOM 25724 H1 TIP3 8853 76.844 91.877 5.095 1.00 0.00 WT1 H ATOM 25725 H2 TIP3 8853 75.488 91.265 4.814 1.00 0.00 WT1 H ATOM 25726 OH2 TIP3 8854 85.485 5.156 36.598 1.00 0.00 WT1 O ATOM 25727 H1 TIP3 8854 84.934 4.429 36.308 1.00 0.00 WT1 H ATOM 25728 H2 TIP3 8854 86.376 4.808 36.568 1.00 0.00 WT1 H ATOM 25729 OH2 TIP3 8855 66.557 31.265 -10.012 1.00 0.00 WT1 O ATOM 25730 H1 TIP3 8855 66.565 32.174 -9.713 1.00 0.00 WT1 H ATOM 25731 H2 TIP3 8855 66.075 31.288 -10.839 1.00 0.00 WT1 H ATOM 25732 OH2 TIP3 8856 57.567 33.627 15.235 1.00 0.00 WT1 O ATOM 25733 H1 TIP3 8856 56.661 33.506 14.949 1.00 0.00 WT1 H ATOM 25734 H2 TIP3 8856 57.989 34.085 14.507 1.00 0.00 WT1 H ATOM 25735 OH2 TIP3 8857 31.550 8.968 45.084 1.00 0.00 WT1 O ATOM 25736 H1 TIP3 8857 31.643 9.146 46.020 1.00 0.00 WT1 H ATOM 25737 H2 TIP3 8857 32.448 8.931 44.757 1.00 0.00 WT1 H ATOM 25738 OH2 TIP3 8858 88.860 60.972 63.381 1.00 0.00 WT1 O ATOM 25739 H1 TIP3 8858 88.839 61.776 62.862 1.00 0.00 WT1 H ATOM 25740 H2 TIP3 8858 88.497 60.302 62.802 1.00 0.00 WT1 H ATOM 25741 OH2 TIP3 8859 75.468 92.278 29.625 1.00 0.00 WT1 O ATOM 25742 H1 TIP3 8859 75.081 93.062 30.015 1.00 0.00 WT1 H ATOM 25743 H2 TIP3 8859 74.843 91.580 29.821 1.00 0.00 WT1 H ATOM 25744 OH2 TIP3 8860 66.545 35.089 -7.186 1.00 0.00 WT1 O ATOM 25745 H1 TIP3 8860 66.743 34.350 -6.611 1.00 0.00 WT1 H ATOM 25746 H2 TIP3 8860 67.335 35.629 -7.164 1.00 0.00 WT1 H ATOM 25747 OH2 TIP3 8861 64.544 48.774 52.217 1.00 0.00 WT1 O ATOM 25748 H1 TIP3 8861 65.124 49.138 52.886 1.00 0.00 WT1 H ATOM 25749 H2 TIP3 8861 65.134 48.360 51.587 1.00 0.00 WT1 H ATOM 25750 OH2 TIP3 8863 48.142 76.723 -9.520 1.00 0.00 WT1 O ATOM 25751 H1 TIP3 8863 47.669 75.970 -9.166 1.00 0.00 WT1 H ATOM 25752 H2 TIP3 8863 47.560 77.467 -9.366 1.00 0.00 WT1 H ATOM 25753 OH2 TIP3 8864 51.398 38.931 36.750 1.00 0.00 WT1 O ATOM 25754 H1 TIP3 8864 50.773 39.317 36.136 1.00 0.00 WT1 H ATOM 25755 H2 TIP3 8864 52.079 39.596 36.849 1.00 0.00 WT1 H ATOM 25756 OH2 TIP3 8865 70.295 45.863 1.814 1.00 0.00 WT1 O ATOM 25757 H1 TIP3 8865 70.678 45.830 2.691 1.00 0.00 WT1 H ATOM 25758 H2 TIP3 8865 69.866 46.718 1.772 1.00 0.00 WT1 H ATOM 25759 OH2 TIP3 8866 66.891 96.077 28.911 1.00 0.00 WT1 O ATOM 25760 H1 TIP3 8866 67.077 95.138 28.929 1.00 0.00 WT1 H ATOM 25761 H2 TIP3 8866 65.944 96.132 28.784 1.00 0.00 WT1 H ATOM 25762 OH2 TIP3 8867 32.806 60.765 17.245 1.00 0.00 WT1 O ATOM 25763 H1 TIP3 8867 32.258 60.278 16.629 1.00 0.00 WT1 H ATOM 25764 H2 TIP3 8867 33.619 60.927 16.767 1.00 0.00 WT1 H ATOM 25765 OH2 TIP3 8868 81.165 68.375 43.215 1.00 0.00 WT1 O ATOM 25766 H1 TIP3 8868 80.640 68.816 42.547 1.00 0.00 WT1 H ATOM 25767 H2 TIP3 8868 81.327 67.503 42.856 1.00 0.00 WT1 H ATOM 25768 OH2 TIP3 8869 50.147 37.972 -8.489 1.00 0.00 WT1 O ATOM 25769 H1 TIP3 8869 49.423 37.891 -9.110 1.00 0.00 WT1 H ATOM 25770 H2 TIP3 8869 50.259 37.090 -8.135 1.00 0.00 WT1 H ATOM 25771 OH2 TIP3 8870 63.405 7.540 -7.372 1.00 0.00 WT1 O ATOM 25772 H1 TIP3 8870 63.004 6.773 -6.963 1.00 0.00 WT1 H ATOM 25773 H2 TIP3 8870 62.684 8.161 -7.477 1.00 0.00 WT1 H ATOM 25774 OH2 TIP3 8871 72.368 54.794 8.064 1.00 0.00 WT1 O ATOM 25775 H1 TIP3 8871 73.126 55.173 8.509 1.00 0.00 WT1 H ATOM 25776 H2 TIP3 8871 71.807 55.543 7.864 1.00 0.00 WT1 H ATOM 25777 OH2 TIP3 8872 20.873 68.143 10.451 1.00 0.00 WT1 O ATOM 25778 H1 TIP3 8872 20.613 67.547 9.748 1.00 0.00 WT1 H ATOM 25779 H2 TIP3 8872 21.645 68.595 10.109 1.00 0.00 WT1 H ATOM 25780 OH2 TIP3 8873 66.702 96.098 -10.335 1.00 0.00 WT1 O ATOM 25781 H1 TIP3 8873 67.174 96.852 -9.982 1.00 0.00 WT1 H ATOM 25782 H2 TIP3 8873 66.012 96.480 -10.877 1.00 0.00 WT1 H ATOM 25783 OH2 TIP3 8874 63.744 94.727 19.804 1.00 0.00 WT1 O ATOM 25784 H1 TIP3 8874 62.809 94.743 19.603 1.00 0.00 WT1 H ATOM 25785 H2 TIP3 8874 63.796 94.333 20.675 1.00 0.00 WT1 H ATOM 25786 OH2 TIP3 8875 28.360 62.551 1.788 1.00 0.00 WT1 O ATOM 25787 H1 TIP3 8875 29.200 62.989 1.927 1.00 0.00 WT1 H ATOM 25788 H2 TIP3 8875 28.589 61.631 1.656 1.00 0.00 WT1 H ATOM 25789 OH2 TIP3 8876 51.687 58.038 47.452 1.00 0.00 WT1 O ATOM 25790 H1 TIP3 8876 51.155 58.500 48.100 1.00 0.00 WT1 H ATOM 25791 H2 TIP3 8876 51.631 58.580 46.665 1.00 0.00 WT1 H ATOM 25792 OH2 TIP3 8877 89.004 50.746 20.228 1.00 0.00 WT1 O ATOM 25793 H1 TIP3 8877 89.530 50.853 19.435 1.00 0.00 WT1 H ATOM 25794 H2 TIP3 8877 89.460 51.264 20.891 1.00 0.00 WT1 H ATOM 25795 OH2 TIP3 8878 24.547 33.653 -3.498 1.00 0.00 WT1 O ATOM 25796 H1 TIP3 8878 24.831 33.243 -2.680 1.00 0.00 WT1 H ATOM 25797 H2 TIP3 8878 24.270 34.533 -3.242 1.00 0.00 WT1 H ATOM 25798 OH2 TIP3 8879 49.090 17.982 25.079 1.00 0.00 WT1 O ATOM 25799 H1 TIP3 8879 48.955 18.520 25.859 1.00 0.00 WT1 H ATOM 25800 H2 TIP3 8879 49.148 18.611 24.360 1.00 0.00 WT1 H ATOM 25801 OH2 TIP3 8880 90.471 58.992 41.750 1.00 0.00 WT1 O ATOM 25802 H1 TIP3 8880 91.240 59.502 41.498 1.00 0.00 WT1 H ATOM 25803 H2 TIP3 8880 89.727 59.553 41.530 1.00 0.00 WT1 H ATOM 25804 OH2 TIP3 8881 64.878 55.811 16.087 1.00 0.00 WT1 O ATOM 25805 H1 TIP3 8881 65.137 56.130 15.222 1.00 0.00 WT1 H ATOM 25806 H2 TIP3 8881 64.284 55.083 15.906 1.00 0.00 WT1 H ATOM 25807 OH2 TIP3 8882 79.880 36.531 39.126 1.00 0.00 WT1 O ATOM 25808 H1 TIP3 8882 80.589 36.972 39.593 1.00 0.00 WT1 H ATOM 25809 H2 TIP3 8882 79.215 36.370 39.795 1.00 0.00 WT1 H ATOM 25810 OH2 TIP3 8883 30.868 71.526 5.956 1.00 0.00 WT1 O ATOM 25811 H1 TIP3 8883 31.303 70.678 6.039 1.00 0.00 WT1 H ATOM 25812 H2 TIP3 8883 31.430 72.133 6.439 1.00 0.00 WT1 H ATOM 25813 OH2 TIP3 8884 49.614 91.293 1.872 1.00 0.00 WT1 O ATOM 25814 H1 TIP3 8884 49.390 91.960 2.521 1.00 0.00 WT1 H ATOM 25815 H2 TIP3 8884 50.086 90.624 2.369 1.00 0.00 WT1 H ATOM 25816 OH2 TIP3 8885 76.781 18.316 0.684 1.00 0.00 WT1 O ATOM 25817 H1 TIP3 8885 75.944 18.290 0.220 1.00 0.00 WT1 H ATOM 25818 H2 TIP3 8885 77.388 17.848 0.111 1.00 0.00 WT1 H ATOM 25819 OH2 TIP3 8886 89.039 16.169 46.570 1.00 0.00 WT1 O ATOM 25820 H1 TIP3 8886 89.618 15.411 46.648 1.00 0.00 WT1 H ATOM 25821 H2 TIP3 8886 88.389 16.046 47.262 1.00 0.00 WT1 H ATOM 25822 OH2 TIP3 8887 21.728 35.156 -16.971 1.00 0.00 WT1 O ATOM 25823 H1 TIP3 8887 20.780 35.281 -16.932 1.00 0.00 WT1 H ATOM 25824 H2 TIP3 8887 21.902 34.926 -17.883 1.00 0.00 WT1 H ATOM 25825 OH2 TIP3 8888 28.317 28.430 41.232 1.00 0.00 WT1 O ATOM 25826 H1 TIP3 8888 28.875 29.201 41.337 1.00 0.00 WT1 H ATOM 25827 H2 TIP3 8888 27.446 28.727 41.492 1.00 0.00 WT1 H ATOM 25828 OH2 TIP3 8889 56.616 91.764 59.671 1.00 0.00 WT1 O ATOM 25829 H1 TIP3 8889 56.521 92.557 60.199 1.00 0.00 WT1 H ATOM 25830 H2 TIP3 8889 57.356 91.301 60.064 1.00 0.00 WT1 H ATOM 25831 OH2 TIP3 8890 57.533 60.510 -16.607 1.00 0.00 WT1 O ATOM 25832 H1 TIP3 8890 56.826 60.033 -17.042 1.00 0.00 WT1 H ATOM 25833 H2 TIP3 8890 57.142 60.829 -15.793 1.00 0.00 WT1 H ATOM 25834 OH2 TIP3 8891 34.312 50.987 44.186 1.00 0.00 WT1 O ATOM 25835 H1 TIP3 8891 34.363 51.880 44.526 1.00 0.00 WT1 H ATOM 25836 H2 TIP3 8891 34.406 50.430 44.959 1.00 0.00 WT1 H ATOM 25837 OH2 TIP3 8893 68.582 19.738 37.988 1.00 0.00 WT1 O ATOM 25838 H1 TIP3 8893 68.943 20.150 37.203 1.00 0.00 WT1 H ATOM 25839 H2 TIP3 8893 67.657 19.982 37.984 1.00 0.00 WT1 H ATOM 25840 OH2 TIP3 8894 80.268 87.836 32.779 1.00 0.00 WT1 O ATOM 25841 H1 TIP3 8894 79.314 87.869 32.847 1.00 0.00 WT1 H ATOM 25842 H2 TIP3 8894 80.544 87.306 33.526 1.00 0.00 WT1 H ATOM 25843 OH2 TIP3 8895 72.560 42.955 27.289 1.00 0.00 WT1 O ATOM 25844 H1 TIP3 8895 71.846 42.584 26.771 1.00 0.00 WT1 H ATOM 25845 H2 TIP3 8895 72.727 42.303 27.969 1.00 0.00 WT1 H ATOM 25846 OH2 TIP3 8896 28.446 20.325 25.634 1.00 0.00 WT1 O ATOM 25847 H1 TIP3 8896 28.998 20.309 24.853 1.00 0.00 WT1 H ATOM 25848 H2 TIP3 8896 28.662 19.515 26.098 1.00 0.00 WT1 H ATOM 25849 OH2 TIP3 8897 39.464 41.094 -17.436 1.00 0.00 WT1 O ATOM 25850 H1 TIP3 8897 39.376 41.745 -18.131 1.00 0.00 WT1 H ATOM 25851 H2 TIP3 8897 38.708 41.244 -16.869 1.00 0.00 WT1 H ATOM 25852 OH2 TIP3 8898 27.749 25.874 22.377 1.00 0.00 WT1 O ATOM 25853 H1 TIP3 8898 28.639 26.214 22.285 1.00 0.00 WT1 H ATOM 25854 H2 TIP3 8898 27.376 26.370 23.105 1.00 0.00 WT1 H ATOM 25855 OH2 TIP3 8899 43.441 6.405 7.974 1.00 0.00 WT1 O ATOM 25856 H1 TIP3 8899 42.520 6.664 7.935 1.00 0.00 WT1 H ATOM 25857 H2 TIP3 8899 43.840 6.818 7.209 1.00 0.00 WT1 H ATOM 25858 OH2 TIP3 8900 41.821 47.530 49.074 1.00 0.00 WT1 O ATOM 25859 H1 TIP3 8900 42.348 48.028 49.699 1.00 0.00 WT1 H ATOM 25860 H2 TIP3 8900 42.462 47.098 48.509 1.00 0.00 WT1 H ATOM 25861 OH2 TIP3 8901 41.213 38.583 15.441 1.00 0.00 WT1 O ATOM 25862 H1 TIP3 8901 41.598 37.809 15.850 1.00 0.00 WT1 H ATOM 25863 H2 TIP3 8901 41.761 39.309 15.738 1.00 0.00 WT1 H ATOM 25864 OH2 TIP3 8902 27.200 7.050 25.445 1.00 0.00 WT1 O ATOM 25865 H1 TIP3 8902 26.892 6.147 25.520 1.00 0.00 WT1 H ATOM 25866 H2 TIP3 8902 27.067 7.273 24.524 1.00 0.00 WT1 H ATOM 25867 OH2 TIP3 8903 72.918 38.487 45.154 1.00 0.00 WT1 O ATOM 25868 H1 TIP3 8903 73.216 38.219 46.024 1.00 0.00 WT1 H ATOM 25869 H2 TIP3 8903 73.689 38.883 44.748 1.00 0.00 WT1 H ATOM 25870 OH2 TIP3 8904 86.927 96.242 48.322 1.00 0.00 WT1 O ATOM 25871 H1 TIP3 8904 87.119 96.791 49.082 1.00 0.00 WT1 H ATOM 25872 H2 TIP3 8904 85.975 96.278 48.234 1.00 0.00 WT1 H ATOM 25873 OH2 TIP3 8905 53.707 13.312 57.961 1.00 0.00 WT1 O ATOM 25874 H1 TIP3 8905 53.390 13.166 57.070 1.00 0.00 WT1 H ATOM 25875 H2 TIP3 8905 53.163 14.026 58.295 1.00 0.00 WT1 H ATOM 25876 OH2 TIP3 8906 50.654 21.564 41.311 1.00 0.00 WT1 O ATOM 25877 H1 TIP3 8906 49.810 21.118 41.384 1.00 0.00 WT1 H ATOM 25878 H2 TIP3 8906 51.303 20.872 41.436 1.00 0.00 WT1 H ATOM 25879 OH2 TIP3 8907 47.933 26.143 -9.427 1.00 0.00 WT1 O ATOM 25880 H1 TIP3 8907 48.589 26.297 -8.747 1.00 0.00 WT1 H ATOM 25881 H2 TIP3 8907 48.316 26.518 -10.220 1.00 0.00 WT1 H ATOM 25882 OH2 TIP3 8908 63.461 94.044 47.956 1.00 0.00 WT1 O ATOM 25883 H1 TIP3 8908 62.573 94.187 47.629 1.00 0.00 WT1 H ATOM 25884 H2 TIP3 8908 63.365 93.362 48.621 1.00 0.00 WT1 H ATOM 25885 OH2 TIP3 8909 29.941 17.625 39.919 1.00 0.00 WT1 O ATOM 25886 H1 TIP3 8909 30.286 17.029 40.584 1.00 0.00 WT1 H ATOM 25887 H2 TIP3 8909 29.995 17.130 39.102 1.00 0.00 WT1 H ATOM 25888 OH2 TIP3 8910 88.964 55.378 25.463 1.00 0.00 WT1 O ATOM 25889 H1 TIP3 8910 88.201 54.804 25.396 1.00 0.00 WT1 H ATOM 25890 H2 TIP3 8910 89.693 54.848 25.143 1.00 0.00 WT1 H ATOM 25891 OH2 TIP3 8911 21.072 50.853 58.771 1.00 0.00 WT1 O ATOM 25892 H1 TIP3 8911 20.536 50.183 59.194 1.00 0.00 WT1 H ATOM 25893 H2 TIP3 8911 21.940 50.748 59.161 1.00 0.00 WT1 H ATOM 25894 OH2 TIP3 8912 54.951 29.814 12.445 1.00 0.00 WT1 O ATOM 25895 H1 TIP3 8912 54.971 29.385 13.301 1.00 0.00 WT1 H ATOM 25896 H2 TIP3 8912 54.020 29.948 12.266 1.00 0.00 WT1 H ATOM 25897 OH2 TIP3 8913 71.246 27.911 16.601 1.00 0.00 WT1 O ATOM 25898 H1 TIP3 8913 71.904 28.194 15.965 1.00 0.00 WT1 H ATOM 25899 H2 TIP3 8913 70.409 28.127 16.191 1.00 0.00 WT1 H ATOM 25900 OH2 TIP3 8914 77.082 50.765 55.661 1.00 0.00 WT1 O ATOM 25901 H1 TIP3 8914 76.878 50.231 56.428 1.00 0.00 WT1 H ATOM 25902 H2 TIP3 8914 76.595 51.578 55.798 1.00 0.00 WT1 H ATOM 25903 OH2 TIP3 8915 72.141 89.799 -7.144 1.00 0.00 WT1 O ATOM 25904 H1 TIP3 8915 72.666 89.129 -7.580 1.00 0.00 WT1 H ATOM 25905 H2 TIP3 8915 71.644 90.213 -7.850 1.00 0.00 WT1 H ATOM 25906 OH2 TIP3 8916 70.858 72.411 12.741 1.00 0.00 WT1 O ATOM 25907 H1 TIP3 8916 70.497 72.947 12.034 1.00 0.00 WT1 H ATOM 25908 H2 TIP3 8916 70.111 71.912 13.069 1.00 0.00 WT1 H ATOM 25909 OH2 TIP3 8917 47.614 23.172 42.827 1.00 0.00 WT1 O ATOM 25910 H1 TIP3 8917 48.528 23.213 43.110 1.00 0.00 WT1 H ATOM 25911 H2 TIP3 8917 47.515 22.293 42.462 1.00 0.00 WT1 H ATOM 25912 OH2 TIP3 8918 38.001 23.203 7.933 1.00 0.00 WT1 O ATOM 25913 H1 TIP3 8918 37.528 23.830 8.480 1.00 0.00 WT1 H ATOM 25914 H2 TIP3 8918 38.893 23.548 7.888 1.00 0.00 WT1 H ATOM 25915 OH2 TIP3 8919 52.223 90.545 48.776 1.00 0.00 WT1 O ATOM 25916 H1 TIP3 8919 53.013 90.656 49.305 1.00 0.00 WT1 H ATOM 25917 H2 TIP3 8919 52.120 91.381 48.321 1.00 0.00 WT1 H ATOM 25918 OH2 TIP3 8920 87.690 96.530 -4.674 1.00 0.00 WT1 O ATOM 25919 H1 TIP3 8920 87.491 96.472 -3.740 1.00 0.00 WT1 H ATOM 25920 H2 TIP3 8920 87.013 96.003 -5.097 1.00 0.00 WT1 H ATOM 25921 OH2 TIP3 8921 34.299 92.738 50.116 1.00 0.00 WT1 O ATOM 25922 H1 TIP3 8921 34.134 91.937 49.619 1.00 0.00 WT1 H ATOM 25923 H2 TIP3 8921 33.546 93.298 49.927 1.00 0.00 WT1 H ATOM 25924 OH2 TIP3 8922 34.384 45.634 36.923 1.00 0.00 WT1 O ATOM 25925 H1 TIP3 8922 34.045 46.521 36.800 1.00 0.00 WT1 H ATOM 25926 H2 TIP3 8922 35.098 45.561 36.289 1.00 0.00 WT1 H ATOM 25927 OH2 TIP3 8923 42.640 38.078 54.913 1.00 0.00 WT1 O ATOM 25928 H1 TIP3 8923 43.207 37.515 54.385 1.00 0.00 WT1 H ATOM 25929 H2 TIP3 8923 42.534 38.871 54.388 1.00 0.00 WT1 H ATOM 25930 OH2 TIP3 8924 68.513 78.035 55.796 1.00 0.00 WT1 O ATOM 25931 H1 TIP3 8924 68.597 77.449 55.043 1.00 0.00 WT1 H ATOM 25932 H2 TIP3 8924 67.580 78.242 55.836 1.00 0.00 WT1 H ATOM 25933 OH2 TIP3 8926 46.118 51.222 53.935 1.00 0.00 WT1 O ATOM 25934 H1 TIP3 8926 45.464 51.852 54.237 1.00 0.00 WT1 H ATOM 25935 H2 TIP3 8926 46.844 51.762 53.620 1.00 0.00 WT1 H ATOM 25936 OH2 TIP3 8927 59.255 92.898 59.407 1.00 0.00 WT1 O ATOM 25937 H1 TIP3 8927 59.145 92.055 58.966 1.00 0.00 WT1 H ATOM 25938 H2 TIP3 8927 59.222 93.544 58.702 1.00 0.00 WT1 H ATOM 25939 OH2 TIP3 8928 55.373 87.914 17.534 1.00 0.00 WT1 O ATOM 25940 H1 TIP3 8928 55.570 88.728 17.071 1.00 0.00 WT1 H ATOM 25941 H2 TIP3 8928 56.105 87.799 18.140 1.00 0.00 WT1 H ATOM 25942 OH2 TIP3 8929 24.320 55.854 30.555 1.00 0.00 WT1 O ATOM 25943 H1 TIP3 8929 23.400 55.863 30.289 1.00 0.00 WT1 H ATOM 25944 H2 TIP3 8929 24.455 54.980 30.923 1.00 0.00 WT1 H ATOM 25945 OH2 TIP3 8930 48.291 12.792 -3.723 1.00 0.00 WT1 O ATOM 25946 H1 TIP3 8930 48.469 13.154 -2.855 1.00 0.00 WT1 H ATOM 25947 H2 TIP3 8930 47.752 12.019 -3.555 1.00 0.00 WT1 H ATOM 25948 OH2 TIP3 8931 27.655 79.472 -1.491 1.00 0.00 WT1 O ATOM 25949 H1 TIP3 8931 28.450 79.082 -1.127 1.00 0.00 WT1 H ATOM 25950 H2 TIP3 8931 27.947 79.909 -2.292 1.00 0.00 WT1 H ATOM 25951 OH2 TIP3 8932 33.919 36.527 52.010 1.00 0.00 WT1 O ATOM 25952 H1 TIP3 8932 34.458 36.872 52.723 1.00 0.00 WT1 H ATOM 25953 H2 TIP3 8932 33.392 35.840 52.419 1.00 0.00 WT1 H ATOM 25954 OH2 TIP3 8933 31.369 83.766 33.288 1.00 0.00 WT1 O ATOM 25955 H1 TIP3 8933 30.493 84.078 33.513 1.00 0.00 WT1 H ATOM 25956 H2 TIP3 8933 31.425 82.897 33.688 1.00 0.00 WT1 H ATOM 25957 OH2 TIP3 8934 69.432 72.091 50.839 1.00 0.00 WT1 O ATOM 25958 H1 TIP3 8934 68.585 72.525 50.943 1.00 0.00 WT1 H ATOM 25959 H2 TIP3 8934 69.215 71.165 50.727 1.00 0.00 WT1 H ATOM 25960 OH2 TIP3 8935 30.603 31.825 9.768 1.00 0.00 WT1 O ATOM 25961 H1 TIP3 8935 30.180 31.960 8.920 1.00 0.00 WT1 H ATOM 25962 H2 TIP3 8935 30.219 32.494 10.336 1.00 0.00 WT1 H ATOM 25963 OH2 TIP3 8936 48.496 45.827 11.056 1.00 0.00 WT1 O ATOM 25964 H1 TIP3 8936 49.101 45.225 11.489 1.00 0.00 WT1 H ATOM 25965 H2 TIP3 8936 48.251 46.452 11.739 1.00 0.00 WT1 H ATOM 25966 OH2 TIP3 8937 23.352 53.394 47.038 1.00 0.00 WT1 O ATOM 25967 H1 TIP3 8937 24.101 52.818 46.879 1.00 0.00 WT1 H ATOM 25968 H2 TIP3 8937 23.531 54.171 46.509 1.00 0.00 WT1 H ATOM 25969 OH2 TIP3 8938 21.031 21.601 57.153 1.00 0.00 WT1 O ATOM 25970 H1 TIP3 8938 20.889 22.318 56.534 1.00 0.00 WT1 H ATOM 25971 H2 TIP3 8938 21.950 21.360 57.033 1.00 0.00 WT1 H ATOM 25972 OH2 TIP3 8939 45.672 69.051 2.670 1.00 0.00 WT1 O ATOM 25973 H1 TIP3 8939 46.377 69.083 3.317 1.00 0.00 WT1 H ATOM 25974 H2 TIP3 8939 45.943 68.371 2.053 1.00 0.00 WT1 H ATOM 25975 OH2 TIP3 8940 87.590 12.511 43.327 1.00 0.00 WT1 O ATOM 25976 H1 TIP3 8940 88.170 12.201 42.632 1.00 0.00 WT1 H ATOM 25977 H2 TIP3 8940 86.969 11.794 43.458 1.00 0.00 WT1 H ATOM 25978 OH2 TIP3 8941 68.736 11.550 5.640 1.00 0.00 WT1 O ATOM 25979 H1 TIP3 8941 69.433 12.036 6.082 1.00 0.00 WT1 H ATOM 25980 H2 TIP3 8941 68.510 10.847 6.249 1.00 0.00 WT1 H ATOM 25981 OH2 TIP3 8942 57.886 81.133 21.125 1.00 0.00 WT1 O ATOM 25982 H1 TIP3 8942 57.294 80.423 21.375 1.00 0.00 WT1 H ATOM 25983 H2 TIP3 8942 58.705 80.693 20.899 1.00 0.00 WT1 H ATOM 25984 OH2 TIP3 8943 29.713 22.975 18.946 1.00 0.00 WT1 O ATOM 25985 H1 TIP3 8943 28.798 23.156 18.731 1.00 0.00 WT1 H ATOM 25986 H2 TIP3 8943 29.717 22.855 19.896 1.00 0.00 WT1 H ATOM 25987 OH2 TIP3 8944 45.880 20.342 63.595 1.00 0.00 WT1 O ATOM 25988 H1 TIP3 8944 45.931 20.876 64.388 1.00 0.00 WT1 H ATOM 25989 H2 TIP3 8944 46.257 20.894 62.909 1.00 0.00 WT1 H ATOM 25990 OH2 TIP3 8945 75.660 35.840 3.505 1.00 0.00 WT1 O ATOM 25991 H1 TIP3 8945 76.129 35.459 2.763 1.00 0.00 WT1 H ATOM 25992 H2 TIP3 8945 74.815 35.389 3.513 1.00 0.00 WT1 H ATOM 25993 OH2 TIP3 8946 71.305 3.632 65.170 1.00 0.00 WT1 O ATOM 25994 H1 TIP3 8946 70.799 3.263 64.446 1.00 0.00 WT1 H ATOM 25995 H2 TIP3 8946 71.339 2.930 65.820 1.00 0.00 WT1 H ATOM 25996 OH2 TIP3 8947 64.609 60.821 -7.885 1.00 0.00 WT1 O ATOM 25997 H1 TIP3 8947 64.450 61.739 -8.106 1.00 0.00 WT1 H ATOM 25998 H2 TIP3 8947 63.847 60.564 -7.367 1.00 0.00 WT1 H ATOM 25999 OH2 TIP3 8948 80.158 35.020 47.328 1.00 0.00 WT1 O ATOM 26000 H1 TIP3 8948 79.825 35.906 47.185 1.00 0.00 WT1 H ATOM 26001 H2 TIP3 8948 80.825 34.903 46.651 1.00 0.00 WT1 H ATOM 26002 OH2 TIP3 8949 70.194 45.368 14.924 1.00 0.00 WT1 O ATOM 26003 H1 TIP3 8949 69.687 46.044 14.474 1.00 0.00 WT1 H ATOM 26004 H2 TIP3 8949 69.536 44.788 15.305 1.00 0.00 WT1 H ATOM 26005 OH2 TIP3 8950 67.666 32.074 23.382 1.00 0.00 WT1 O ATOM 26006 H1 TIP3 8950 67.665 32.140 22.427 1.00 0.00 WT1 H ATOM 26007 H2 TIP3 8950 67.427 32.950 23.684 1.00 0.00 WT1 H ATOM 26008 OH2 TIP3 8951 49.208 34.281 -19.241 1.00 0.00 WT1 O ATOM 26009 H1 TIP3 8951 48.699 33.471 -19.279 1.00 0.00 WT1 H ATOM 26010 H2 TIP3 8951 48.869 34.811 -19.962 1.00 0.00 WT1 H ATOM 26011 OH2 TIP3 8952 53.680 24.349 65.560 1.00 0.00 WT1 O ATOM 26012 H1 TIP3 8952 53.367 25.229 65.770 1.00 0.00 WT1 H ATOM 26013 H2 TIP3 8952 53.575 24.276 64.612 1.00 0.00 WT1 H ATOM 26014 OH2 TIP3 8953 48.226 38.466 14.284 1.00 0.00 WT1 O ATOM 26015 H1 TIP3 8953 48.049 37.541 14.455 1.00 0.00 WT1 H ATOM 26016 H2 TIP3 8953 48.015 38.907 15.107 1.00 0.00 WT1 H ATOM 26017 OH2 TIP3 8954 88.111 79.173 -13.153 1.00 0.00 WT1 O ATOM 26018 H1 TIP3 8954 88.241 78.305 -12.770 1.00 0.00 WT1 H ATOM 26019 H2 TIP3 8954 88.952 79.384 -13.558 1.00 0.00 WT1 H ATOM 26020 OH2 TIP3 8955 78.840 79.167 35.060 1.00 0.00 WT1 O ATOM 26021 H1 TIP3 8955 78.789 79.117 36.014 1.00 0.00 WT1 H ATOM 26022 H2 TIP3 8955 78.297 78.442 34.752 1.00 0.00 WT1 H ATOM 26023 OH2 TIP3 8956 51.916 5.237 14.164 1.00 0.00 WT1 O ATOM 26024 H1 TIP3 8956 51.048 5.427 14.520 1.00 0.00 WT1 H ATOM 26025 H2 TIP3 8956 52.519 5.718 14.732 1.00 0.00 WT1 H ATOM 26026 OH2 TIP3 8957 26.333 38.230 27.898 1.00 0.00 WT1 O ATOM 26027 H1 TIP3 8957 26.734 39.037 27.574 1.00 0.00 WT1 H ATOM 26028 H2 TIP3 8957 26.892 37.960 28.626 1.00 0.00 WT1 H ATOM 26029 OH2 TIP3 8958 60.648 27.134 57.892 1.00 0.00 WT1 O ATOM 26030 H1 TIP3 8958 61.025 27.970 57.617 1.00 0.00 WT1 H ATOM 26031 H2 TIP3 8958 60.805 26.545 57.154 1.00 0.00 WT1 H ATOM 26032 OH2 TIP3 8959 22.989 43.091 27.081 1.00 0.00 WT1 O ATOM 26033 H1 TIP3 8959 23.331 42.208 27.218 1.00 0.00 WT1 H ATOM 26034 H2 TIP3 8959 23.163 43.546 27.905 1.00 0.00 WT1 H ATOM 26035 OH2 TIP3 8960 43.049 95.799 46.423 1.00 0.00 WT1 O ATOM 26036 H1 TIP3 8960 42.602 96.639 46.317 1.00 0.00 WT1 H ATOM 26037 H2 TIP3 8960 42.637 95.225 45.776 1.00 0.00 WT1 H ATOM 26038 OH2 TIP3 8961 22.061 76.769 8.605 1.00 0.00 WT1 O ATOM 26039 H1 TIP3 8961 22.792 76.257 8.952 1.00 0.00 WT1 H ATOM 26040 H2 TIP3 8961 22.452 77.310 7.919 1.00 0.00 WT1 H ATOM 26041 OH2 TIP3 8962 63.430 37.855 -3.660 1.00 0.00 WT1 O ATOM 26042 H1 TIP3 8962 62.932 37.044 -3.562 1.00 0.00 WT1 H ATOM 26043 H2 TIP3 8962 63.919 37.739 -4.475 1.00 0.00 WT1 H ATOM 26044 OH2 TIP3 8963 23.344 93.696 36.002 1.00 0.00 WT1 O ATOM 26045 H1 TIP3 8963 23.168 92.772 35.821 1.00 0.00 WT1 H ATOM 26046 H2 TIP3 8963 22.477 94.091 36.095 1.00 0.00 WT1 H ATOM 26047 OH2 TIP3 8964 81.623 12.547 -14.869 1.00 0.00 WT1 O ATOM 26048 H1 TIP3 8964 81.157 13.355 -15.083 1.00 0.00 WT1 H ATOM 26049 H2 TIP3 8964 82.191 12.391 -15.623 1.00 0.00 WT1 H ATOM 26050 OH2 TIP3 8965 23.089 28.979 53.113 1.00 0.00 WT1 O ATOM 26051 H1 TIP3 8965 22.954 28.122 52.708 1.00 0.00 WT1 H ATOM 26052 H2 TIP3 8965 22.957 29.605 52.401 1.00 0.00 WT1 H ATOM 26053 OH2 TIP3 8966 26.372 47.827 32.246 1.00 0.00 WT1 O ATOM 26054 H1 TIP3 8966 25.582 48.319 32.467 1.00 0.00 WT1 H ATOM 26055 H2 TIP3 8966 26.576 48.092 31.349 1.00 0.00 WT1 H ATOM 26056 OH2 TIP3 8967 81.629 28.683 54.663 1.00 0.00 WT1 O ATOM 26057 H1 TIP3 8967 82.161 27.906 54.490 1.00 0.00 WT1 H ATOM 26058 H2 TIP3 8967 81.502 29.082 53.802 1.00 0.00 WT1 H ATOM 26059 OH2 TIP3 8968 78.457 40.427 4.427 1.00 0.00 WT1 O ATOM 26060 H1 TIP3 8968 79.079 40.759 5.075 1.00 0.00 WT1 H ATOM 26061 H2 TIP3 8968 77.752 41.074 4.419 1.00 0.00 WT1 H ATOM 26062 OH2 TIP3 8969 66.209 74.648 3.655 1.00 0.00 WT1 O ATOM 26063 H1 TIP3 8969 65.255 74.712 3.628 1.00 0.00 WT1 H ATOM 26064 H2 TIP3 8969 66.454 75.055 4.486 1.00 0.00 WT1 H ATOM 26065 OH2 TIP3 8970 27.587 76.987 -9.931 1.00 0.00 WT1 O ATOM 26066 H1 TIP3 8970 27.836 76.205 -9.440 1.00 0.00 WT1 H ATOM 26067 H2 TIP3 8970 27.524 77.676 -9.270 1.00 0.00 WT1 H ATOM 26068 OH2 TIP3 8971 72.153 30.017 -17.798 1.00 0.00 WT1 O ATOM 26069 H1 TIP3 8971 71.632 30.814 -17.897 1.00 0.00 WT1 H ATOM 26070 H2 TIP3 8971 72.681 29.975 -18.596 1.00 0.00 WT1 H ATOM 26071 OH2 TIP3 8972 53.608 35.019 37.691 1.00 0.00 WT1 O ATOM 26072 H1 TIP3 8972 53.831 35.913 37.950 1.00 0.00 WT1 H ATOM 26073 H2 TIP3 8972 52.706 35.078 37.377 1.00 0.00 WT1 H ATOM 26074 OH2 TIP3 8973 66.842 60.105 -3.821 1.00 0.00 WT1 O ATOM 26075 H1 TIP3 8973 67.065 60.321 -2.915 1.00 0.00 WT1 H ATOM 26076 H2 TIP3 8973 65.948 60.428 -3.931 1.00 0.00 WT1 H ATOM 26077 OH2 TIP3 8974 52.267 64.032 57.272 1.00 0.00 WT1 O ATOM 26078 H1 TIP3 8974 52.599 63.647 58.083 1.00 0.00 WT1 H ATOM 26079 H2 TIP3 8974 52.702 63.538 56.577 1.00 0.00 WT1 H ATOM 26080 OH2 TIP3 8975 32.574 14.074 -7.539 1.00 0.00 WT1 O ATOM 26081 H1 TIP3 8975 32.130 13.227 -7.592 1.00 0.00 WT1 H ATOM 26082 H2 TIP3 8975 32.253 14.561 -8.297 1.00 0.00 WT1 H ATOM 26083 OH2 TIP3 8976 38.832 66.194 14.578 1.00 0.00 WT1 O ATOM 26084 H1 TIP3 8976 39.399 66.484 13.863 1.00 0.00 WT1 H ATOM 26085 H2 TIP3 8976 39.430 65.812 15.220 1.00 0.00 WT1 H ATOM 26086 OH2 TIP3 8977 40.261 82.828 18.214 1.00 0.00 WT1 O ATOM 26087 H1 TIP3 8977 40.805 82.307 18.804 1.00 0.00 WT1 H ATOM 26088 H2 TIP3 8977 39.383 82.459 18.310 1.00 0.00 WT1 H ATOM 26089 OH2 TIP3 8978 55.975 2.334 -17.985 1.00 0.00 WT1 O ATOM 26090 H1 TIP3 8978 56.602 2.978 -17.655 1.00 0.00 WT1 H ATOM 26091 H2 TIP3 8978 55.526 2.014 -17.202 1.00 0.00 WT1 H ATOM 26092 OH2 TIP3 8979 61.166 34.136 13.214 1.00 0.00 WT1 O ATOM 26093 H1 TIP3 8979 60.790 33.947 14.074 1.00 0.00 WT1 H ATOM 26094 H2 TIP3 8979 60.409 34.220 12.634 1.00 0.00 WT1 H ATOM 26095 OH2 TIP3 8980 55.396 37.888 49.697 1.00 0.00 WT1 O ATOM 26096 H1 TIP3 8980 55.524 38.672 49.162 1.00 0.00 WT1 H ATOM 26097 H2 TIP3 8980 55.598 38.172 50.589 1.00 0.00 WT1 H ATOM 26098 OH2 TIP3 8981 67.228 40.812 26.938 1.00 0.00 WT1 O ATOM 26099 H1 TIP3 8981 67.634 40.578 26.103 1.00 0.00 WT1 H ATOM 26100 H2 TIP3 8981 67.400 41.749 27.033 1.00 0.00 WT1 H ATOM 26101 OH2 TIP3 8982 85.358 64.111 9.164 1.00 0.00 WT1 O ATOM 26102 H1 TIP3 8982 85.239 64.313 8.236 1.00 0.00 WT1 H ATOM 26103 H2 TIP3 8982 86.231 63.722 9.215 1.00 0.00 WT1 H ATOM 26104 OH2 TIP3 8983 25.670 52.988 -17.541 1.00 0.00 WT1 O ATOM 26105 H1 TIP3 8983 24.721 52.893 -17.616 1.00 0.00 WT1 H ATOM 26106 H2 TIP3 8983 25.818 53.212 -16.623 1.00 0.00 WT1 H ATOM 26107 OH2 TIP3 8984 27.129 72.471 63.369 1.00 0.00 WT1 O ATOM 26108 H1 TIP3 8984 26.217 72.244 63.186 1.00 0.00 WT1 H ATOM 26109 H2 TIP3 8984 27.170 72.550 64.322 1.00 0.00 WT1 H ATOM 26110 OH2 TIP3 8985 64.931 79.199 -6.894 1.00 0.00 WT1 O ATOM 26111 H1 TIP3 8985 64.766 79.052 -5.963 1.00 0.00 WT1 H ATOM 26112 H2 TIP3 8985 65.870 79.374 -6.947 1.00 0.00 WT1 H ATOM 26113 OH2 TIP3 8986 69.328 35.108 47.366 1.00 0.00 WT1 O ATOM 26114 H1 TIP3 8986 68.522 34.982 47.866 1.00 0.00 WT1 H ATOM 26115 H2 TIP3 8986 69.105 35.773 46.715 1.00 0.00 WT1 H ATOM 26116 OH2 TIP3 8987 65.337 26.939 58.860 1.00 0.00 WT1 O ATOM 26117 H1 TIP3 8987 65.702 27.039 57.981 1.00 0.00 WT1 H ATOM 26118 H2 TIP3 8987 65.279 27.832 59.199 1.00 0.00 WT1 H ATOM 26119 OH2 TIP3 8988 29.538 7.503 55.802 1.00 0.00 WT1 O ATOM 26120 H1 TIP3 8988 30.467 7.457 55.575 1.00 0.00 WT1 H ATOM 26121 H2 TIP3 8988 29.082 7.248 55.000 1.00 0.00 WT1 H ATOM 26122 OH2 TIP3 8989 70.101 94.130 18.802 1.00 0.00 WT1 O ATOM 26123 H1 TIP3 8989 69.272 93.850 19.189 1.00 0.00 WT1 H ATOM 26124 H2 TIP3 8989 69.936 95.023 18.500 1.00 0.00 WT1 H ATOM 26125 OH2 TIP3 8990 90.104 63.335 2.655 1.00 0.00 WT1 O ATOM 26126 H1 TIP3 8990 89.566 63.840 3.264 1.00 0.00 WT1 H ATOM 26127 H2 TIP3 8990 90.940 63.224 3.108 1.00 0.00 WT1 H ATOM 26128 OH2 TIP3 8991 37.416 95.771 14.984 1.00 0.00 WT1 O ATOM 26129 H1 TIP3 8991 38.158 95.657 15.578 1.00 0.00 WT1 H ATOM 26130 H2 TIP3 8991 37.554 95.114 14.301 1.00 0.00 WT1 H ATOM 26131 OH2 TIP3 8992 87.510 52.647 49.344 1.00 0.00 WT1 O ATOM 26132 H1 TIP3 8992 86.703 52.413 49.804 1.00 0.00 WT1 H ATOM 26133 H2 TIP3 8992 87.906 51.807 49.112 1.00 0.00 WT1 H ATOM 26134 OH2 TIP3 8993 67.905 73.694 53.630 1.00 0.00 WT1 O ATOM 26135 H1 TIP3 8993 67.619 73.429 52.756 1.00 0.00 WT1 H ATOM 26136 H2 TIP3 8993 67.454 73.093 54.223 1.00 0.00 WT1 H ATOM 26137 OH2 TIP3 8994 59.438 64.614 32.387 1.00 0.00 WT1 O ATOM 26138 H1 TIP3 8994 59.164 65.363 31.857 1.00 0.00 WT1 H ATOM 26139 H2 TIP3 8994 59.403 63.869 31.786 1.00 0.00 WT1 H ATOM 26140 OH2 TIP3 8995 81.868 13.834 -4.702 1.00 0.00 WT1 O ATOM 26141 H1 TIP3 8995 81.539 14.127 -3.852 1.00 0.00 WT1 H ATOM 26142 H2 TIP3 8995 82.301 14.605 -5.069 1.00 0.00 WT1 H ATOM 26143 OH2 TIP3 8996 30.770 31.815 52.359 1.00 0.00 WT1 O ATOM 26144 H1 TIP3 8996 30.194 32.117 51.657 1.00 0.00 WT1 H ATOM 26145 H2 TIP3 8996 30.175 31.463 53.022 1.00 0.00 WT1 H ATOM 26146 OH2 TIP3 8997 81.995 43.267 31.100 1.00 0.00 WT1 O ATOM 26147 H1 TIP3 8997 81.628 44.037 31.534 1.00 0.00 WT1 H ATOM 26148 H2 TIP3 8997 82.445 42.790 31.797 1.00 0.00 WT1 H ATOM 26149 OH2 TIP3 8998 89.714 7.883 51.656 1.00 0.00 WT1 O ATOM 26150 H1 TIP3 8998 88.853 8.289 51.551 1.00 0.00 WT1 H ATOM 26151 H2 TIP3 8998 89.529 6.949 51.748 1.00 0.00 WT1 H ATOM 26152 OH2 TIP3 8999 27.939 43.227 52.296 1.00 0.00 WT1 O ATOM 26153 H1 TIP3 8999 27.115 43.594 51.975 1.00 0.00 WT1 H ATOM 26154 H2 TIP3 8999 28.150 42.531 51.673 1.00 0.00 WT1 H ATOM 26155 OH2 TIP3 9000 58.573 60.295 28.718 1.00 0.00 WT1 O ATOM 26156 H1 TIP3 9000 58.179 60.359 27.848 1.00 0.00 WT1 H ATOM 26157 H2 TIP3 9000 57.913 60.659 29.308 1.00 0.00 WT1 H ATOM 26158 OH2 TIP3 9001 29.990 95.864 3.757 1.00 0.00 WT1 O ATOM 26159 H1 TIP3 9001 30.075 94.910 3.746 1.00 0.00 WT1 H ATOM 26160 H2 TIP3 9001 29.759 96.073 4.662 1.00 0.00 WT1 H ATOM 26161 OH2 TIP3 9002 67.331 36.031 28.148 1.00 0.00 WT1 O ATOM 26162 H1 TIP3 9002 68.258 35.955 27.925 1.00 0.00 WT1 H ATOM 26163 H2 TIP3 9002 67.014 36.756 27.609 1.00 0.00 WT1 H ATOM 26164 OH2 TIP3 9003 82.026 34.121 60.770 1.00 0.00 WT1 O ATOM 26165 H1 TIP3 9003 82.207 35.017 61.053 1.00 0.00 WT1 H ATOM 26166 H2 TIP3 9003 81.319 34.209 60.131 1.00 0.00 WT1 H ATOM 26167 OH2 TIP3 9004 59.691 69.011 36.459 1.00 0.00 WT1 O ATOM 26168 H1 TIP3 9004 60.508 68.529 36.333 1.00 0.00 WT1 H ATOM 26169 H2 TIP3 9004 59.100 68.662 35.791 1.00 0.00 WT1 H ATOM 26170 OH2 TIP3 9005 38.517 67.962 35.314 1.00 0.00 WT1 O ATOM 26171 H1 TIP3 9005 39.297 67.458 35.548 1.00 0.00 WT1 H ATOM 26172 H2 TIP3 9005 38.829 68.603 34.675 1.00 0.00 WT1 H ATOM 26173 OH2 TIP3 9006 84.526 33.212 17.602 1.00 0.00 WT1 O ATOM 26174 H1 TIP3 9006 84.236 32.674 16.865 1.00 0.00 WT1 H ATOM 26175 H2 TIP3 9006 83.889 33.037 18.294 1.00 0.00 WT1 H ATOM 26176 OH2 TIP3 9007 45.277 26.216 -8.658 1.00 0.00 WT1 O ATOM 26177 H1 TIP3 9007 46.199 26.358 -8.869 1.00 0.00 WT1 H ATOM 26178 H2 TIP3 9007 45.100 25.320 -8.943 1.00 0.00 WT1 H ATOM 26179 OH2 TIP3 9008 43.166 42.707 -7.927 1.00 0.00 WT1 O ATOM 26180 H1 TIP3 9008 42.815 43.507 -7.536 1.00 0.00 WT1 H ATOM 26181 H2 TIP3 9008 43.176 42.073 -7.210 1.00 0.00 WT1 H ATOM 26182 OH2 TIP3 9009 68.441 11.514 -14.701 1.00 0.00 WT1 O ATOM 26183 H1 TIP3 9009 68.477 11.559 -13.745 1.00 0.00 WT1 H ATOM 26184 H2 TIP3 9009 68.879 12.313 -14.995 1.00 0.00 WT1 H ATOM 26185 OH2 TIP3 9010 54.692 51.747 -15.212 1.00 0.00 WT1 O ATOM 26186 H1 TIP3 9010 54.641 51.533 -14.280 1.00 0.00 WT1 H ATOM 26187 H2 TIP3 9010 55.598 51.555 -15.452 1.00 0.00 WT1 H ATOM 26188 OH2 TIP3 9011 54.861 60.938 23.472 1.00 0.00 WT1 O ATOM 26189 H1 TIP3 9011 54.448 60.604 22.675 1.00 0.00 WT1 H ATOM 26190 H2 TIP3 9011 54.749 60.236 24.113 1.00 0.00 WT1 H ATOM 26191 OH2 TIP3 9012 34.161 20.754 47.237 1.00 0.00 WT1 O ATOM 26192 H1 TIP3 9012 35.087 20.994 47.278 1.00 0.00 WT1 H ATOM 26193 H2 TIP3 9012 33.982 20.340 48.081 1.00 0.00 WT1 H ATOM 26194 OH2 TIP3 9013 78.848 93.099 54.598 1.00 0.00 WT1 O ATOM 26195 H1 TIP3 9013 78.531 93.814 54.048 1.00 0.00 WT1 H ATOM 26196 H2 TIP3 9013 79.536 93.494 55.133 1.00 0.00 WT1 H ATOM 26197 OH2 TIP3 9014 36.899 89.143 44.030 1.00 0.00 WT1 O ATOM 26198 H1 TIP3 9014 36.971 90.044 44.345 1.00 0.00 WT1 H ATOM 26199 H2 TIP3 9014 37.535 88.655 44.553 1.00 0.00 WT1 H ATOM 26200 OH2 TIP3 9015 49.264 80.286 57.439 1.00 0.00 WT1 O ATOM 26201 H1 TIP3 9015 50.193 80.367 57.222 1.00 0.00 WT1 H ATOM 26202 H2 TIP3 9015 49.247 79.739 58.224 1.00 0.00 WT1 H ATOM 26203 OH2 TIP3 9016 62.263 9.925 42.097 1.00 0.00 WT1 O ATOM 26204 H1 TIP3 9016 62.456 9.785 41.170 1.00 0.00 WT1 H ATOM 26205 H2 TIP3 9016 61.398 9.535 42.224 1.00 0.00 WT1 H ATOM 26206 OH2 TIP3 9017 81.584 19.527 0.689 1.00 0.00 WT1 O ATOM 26207 H1 TIP3 9017 82.041 19.753 1.499 1.00 0.00 WT1 H ATOM 26208 H2 TIP3 9017 82.210 19.732 -0.006 1.00 0.00 WT1 H ATOM 26209 OH2 TIP3 9018 60.873 44.775 38.208 1.00 0.00 WT1 O ATOM 26210 H1 TIP3 9018 61.521 44.337 37.656 1.00 0.00 WT1 H ATOM 26211 H2 TIP3 9018 60.034 44.407 37.931 1.00 0.00 WT1 H ATOM 26212 OH2 TIP3 9019 70.708 33.336 42.278 1.00 0.00 WT1 O ATOM 26213 H1 TIP3 9019 70.821 32.408 42.480 1.00 0.00 WT1 H ATOM 26214 H2 TIP3 9019 70.384 33.348 41.378 1.00 0.00 WT1 H ATOM 26215 OH2 TIP3 9020 22.383 57.914 14.461 1.00 0.00 WT1 O ATOM 26216 H1 TIP3 9020 23.202 57.634 14.871 1.00 0.00 WT1 H ATOM 26217 H2 TIP3 9020 22.394 58.869 14.532 1.00 0.00 WT1 H ATOM 26218 OH2 TIP3 9021 86.554 14.007 55.570 1.00 0.00 WT1 O ATOM 26219 H1 TIP3 9021 85.912 14.118 56.271 1.00 0.00 WT1 H ATOM 26220 H2 TIP3 9021 86.931 14.879 55.450 1.00 0.00 WT1 H ATOM 26221 OH2 TIP3 9022 26.677 22.799 31.724 1.00 0.00 WT1 O ATOM 26222 H1 TIP3 9022 26.188 22.901 30.907 1.00 0.00 WT1 H ATOM 26223 H2 TIP3 9022 27.528 23.199 31.547 1.00 0.00 WT1 H ATOM 26224 OH2 TIP3 9023 53.322 36.894 8.600 1.00 0.00 WT1 O ATOM 26225 H1 TIP3 9023 52.987 37.743 8.310 1.00 0.00 WT1 H ATOM 26226 H2 TIP3 9023 53.083 36.845 9.526 1.00 0.00 WT1 H ATOM 26227 OH2 TIP3 9024 63.043 10.540 50.901 1.00 0.00 WT1 O ATOM 26228 H1 TIP3 9024 63.513 9.707 50.940 1.00 0.00 WT1 H ATOM 26229 H2 TIP3 9024 62.904 10.693 49.966 1.00 0.00 WT1 H ATOM 26230 OH2 TIP3 9025 62.182 18.234 37.947 1.00 0.00 WT1 O ATOM 26231 H1 TIP3 9025 62.226 17.281 37.863 1.00 0.00 WT1 H ATOM 26232 H2 TIP3 9025 62.911 18.555 37.416 1.00 0.00 WT1 H ATOM 26233 OH2 TIP3 9026 47.966 29.758 66.579 1.00 0.00 WT1 O ATOM 26234 H1 TIP3 9026 48.567 30.184 65.967 1.00 0.00 WT1 H ATOM 26235 H2 TIP3 9026 47.176 30.298 66.555 1.00 0.00 WT1 H ATOM 26236 OH2 TIP3 9027 43.384 76.250 31.456 1.00 0.00 WT1 O ATOM 26237 H1 TIP3 9027 44.249 76.143 31.060 1.00 0.00 WT1 H ATOM 26238 H2 TIP3 9027 43.160 75.378 31.781 1.00 0.00 WT1 H ATOM 26239 OH2 TIP3 9028 50.569 26.532 -3.381 1.00 0.00 WT1 O ATOM 26240 H1 TIP3 9028 49.842 26.855 -3.914 1.00 0.00 WT1 H ATOM 26241 H2 TIP3 9028 50.426 26.922 -2.519 1.00 0.00 WT1 H ATOM 26242 OH2 TIP3 9029 48.722 7.003 5.888 1.00 0.00 WT1 O ATOM 26243 H1 TIP3 9029 48.562 6.230 5.347 1.00 0.00 WT1 H ATOM 26244 H2 TIP3 9029 47.987 7.587 5.696 1.00 0.00 WT1 H ATOM 26245 OH2 TIP3 9030 55.213 47.459 -5.502 1.00 0.00 WT1 O ATOM 26246 H1 TIP3 9030 54.295 47.342 -5.747 1.00 0.00 WT1 H ATOM 26247 H2 TIP3 9030 55.212 47.430 -4.546 1.00 0.00 WT1 H ATOM 26248 OH2 TIP3 9032 30.170 2.225 50.918 1.00 0.00 WT1 O ATOM 26249 H1 TIP3 9032 30.606 3.044 51.155 1.00 0.00 WT1 H ATOM 26250 H2 TIP3 9032 29.763 1.926 51.731 1.00 0.00 WT1 H ATOM 26251 OH2 TIP3 9033 67.190 0.800 41.130 1.00 0.00 WT1 O ATOM 26252 H1 TIP3 9033 67.659 1.151 40.373 1.00 0.00 WT1 H ATOM 26253 H2 TIP3 9033 66.565 0.178 40.758 1.00 0.00 WT1 H ATOM 26254 OH2 TIP3 9034 73.543 62.316 55.839 1.00 0.00 WT1 O ATOM 26255 H1 TIP3 9034 73.671 62.861 55.063 1.00 0.00 WT1 H ATOM 26256 H2 TIP3 9034 72.691 62.584 56.183 1.00 0.00 WT1 H ATOM 26257 OH2 TIP3 9035 44.761 14.728 22.947 1.00 0.00 WT1 O ATOM 26258 H1 TIP3 9035 43.871 14.550 22.641 1.00 0.00 WT1 H ATOM 26259 H2 TIP3 9035 45.115 15.346 22.307 1.00 0.00 WT1 H ATOM 26260 OH2 TIP3 9036 45.407 20.262 59.651 1.00 0.00 WT1 O ATOM 26261 H1 TIP3 9036 46.296 20.266 59.297 1.00 0.00 WT1 H ATOM 26262 H2 TIP3 9036 45.376 21.022 60.232 1.00 0.00 WT1 H ATOM 26263 OH2 TIP3 9037 23.341 30.379 5.855 1.00 0.00 WT1 O ATOM 26264 H1 TIP3 9037 22.541 30.184 5.368 1.00 0.00 WT1 H ATOM 26265 H2 TIP3 9037 23.116 30.203 6.768 1.00 0.00 WT1 H ATOM 26266 OH2 TIP3 9038 25.132 93.719 49.581 1.00 0.00 WT1 O ATOM 26267 H1 TIP3 9038 25.962 94.192 49.644 1.00 0.00 WT1 H ATOM 26268 H2 TIP3 9038 25.384 92.816 49.386 1.00 0.00 WT1 H ATOM 26269 OH2 TIP3 9039 47.833 78.031 28.728 1.00 0.00 WT1 O ATOM 26270 H1 TIP3 9039 48.193 77.144 28.751 1.00 0.00 WT1 H ATOM 26271 H2 TIP3 9039 48.535 78.565 28.356 1.00 0.00 WT1 H ATOM 26272 OH2 TIP3 9040 82.451 61.184 -1.007 1.00 0.00 WT1 O ATOM 26273 H1 TIP3 9040 81.537 61.276 -0.739 1.00 0.00 WT1 H ATOM 26274 H2 TIP3 9040 82.901 61.913 -0.580 1.00 0.00 WT1 H ATOM 26275 OH2 TIP3 9041 31.251 8.637 32.929 1.00 0.00 WT1 O ATOM 26276 H1 TIP3 9041 30.895 8.600 33.816 1.00 0.00 WT1 H ATOM 26277 H2 TIP3 9041 31.526 9.548 32.819 1.00 0.00 WT1 H ATOM 26278 OH2 TIP3 9042 33.722 7.260 11.446 1.00 0.00 WT1 O ATOM 26279 H1 TIP3 9042 33.758 7.637 10.567 1.00 0.00 WT1 H ATOM 26280 H2 TIP3 9042 33.045 7.766 11.896 1.00 0.00 WT1 H ATOM 26281 OH2 TIP3 9043 52.208 1.089 -16.671 1.00 0.00 WT1 O ATOM 26282 H1 TIP3 9043 52.153 2.043 -16.628 1.00 0.00 WT1 H ATOM 26283 H2 TIP3 9043 53.145 0.900 -16.619 1.00 0.00 WT1 H ATOM 26284 OH2 TIP3 9044 50.011 1.518 9.863 1.00 0.00 WT1 O ATOM 26285 H1 TIP3 9044 50.011 2.440 9.608 1.00 0.00 WT1 H ATOM 26286 H2 TIP3 9044 50.739 1.440 10.480 1.00 0.00 WT1 H ATOM 26287 OH2 TIP3 9045 72.735 51.079 32.487 1.00 0.00 WT1 O ATOM 26288 H1 TIP3 9045 72.159 51.586 33.059 1.00 0.00 WT1 H ATOM 26289 H2 TIP3 9045 73.303 51.733 32.078 1.00 0.00 WT1 H ATOM 26290 OH2 TIP3 9046 72.455 18.136 37.333 1.00 0.00 WT1 O ATOM 26291 H1 TIP3 9046 71.958 17.598 37.950 1.00 0.00 WT1 H ATOM 26292 H2 TIP3 9046 72.374 19.027 37.672 1.00 0.00 WT1 H ATOM 26293 OH2 TIP3 9047 83.808 23.088 -18.123 1.00 0.00 WT1 O ATOM 26294 H1 TIP3 9047 83.697 23.567 -18.944 1.00 0.00 WT1 H ATOM 26295 H2 TIP3 9047 84.703 22.751 -18.161 1.00 0.00 WT1 H ATOM 26296 OH2 TIP3 9048 83.245 2.017 10.148 1.00 0.00 WT1 O ATOM 26297 H1 TIP3 9048 83.846 2.758 10.226 1.00 0.00 WT1 H ATOM 26298 H2 TIP3 9048 83.286 1.771 9.224 1.00 0.00 WT1 H ATOM 26299 OH2 TIP3 9049 25.646 20.559 14.615 1.00 0.00 WT1 O ATOM 26300 H1 TIP3 9049 25.597 19.732 15.095 1.00 0.00 WT1 H ATOM 26301 H2 TIP3 9049 26.343 20.423 13.974 1.00 0.00 WT1 H ATOM 26302 OH2 TIP3 9050 20.787 28.069 41.000 1.00 0.00 WT1 O ATOM 26303 H1 TIP3 9050 21.329 28.858 40.984 1.00 0.00 WT1 H ATOM 26304 H2 TIP3 9050 20.039 28.281 40.441 1.00 0.00 WT1 H ATOM 26305 OH2 TIP3 9051 25.539 68.181 43.360 1.00 0.00 WT1 O ATOM 26306 H1 TIP3 9051 26.414 67.795 43.399 1.00 0.00 WT1 H ATOM 26307 H2 TIP3 9051 24.945 67.439 43.474 1.00 0.00 WT1 H ATOM 26308 OH2 TIP3 9052 73.536 70.376 22.307 1.00 0.00 WT1 O ATOM 26309 H1 TIP3 9052 72.738 70.014 21.922 1.00 0.00 WT1 H ATOM 26310 H2 TIP3 9052 73.692 71.186 21.821 1.00 0.00 WT1 H ATOM 26311 OH2 TIP3 9053 39.935 87.541 -12.740 1.00 0.00 WT1 O ATOM 26312 H1 TIP3 9053 40.608 87.983 -13.257 1.00 0.00 WT1 H ATOM 26313 H2 TIP3 9053 39.616 88.213 -12.137 1.00 0.00 WT1 H ATOM 26314 OH2 TIP3 9054 25.502 55.647 -10.184 1.00 0.00 WT1 O ATOM 26315 H1 TIP3 9054 26.276 55.973 -9.726 1.00 0.00 WT1 H ATOM 26316 H2 TIP3 9054 24.769 56.112 -9.780 1.00 0.00 WT1 H ATOM 26317 OH2 TIP3 9055 49.085 89.512 -19.235 1.00 0.00 WT1 O ATOM 26318 H1 TIP3 9055 49.189 89.286 -18.311 1.00 0.00 WT1 H ATOM 26319 H2 TIP3 9055 48.634 90.356 -19.227 1.00 0.00 WT1 H ATOM 26320 OH2 TIP3 9056 63.127 14.946 24.056 1.00 0.00 WT1 O ATOM 26321 H1 TIP3 9056 63.847 15.521 23.800 1.00 0.00 WT1 H ATOM 26322 H2 TIP3 9056 62.445 15.110 23.405 1.00 0.00 WT1 H ATOM 26323 OH2 TIP3 9057 48.240 66.368 -19.556 1.00 0.00 WT1 O ATOM 26324 H1 TIP3 9057 49.079 66.537 -19.129 1.00 0.00 WT1 H ATOM 26325 H2 TIP3 9057 48.084 67.144 -20.094 1.00 0.00 WT1 H ATOM 26326 OH2 TIP3 9058 26.375 49.068 61.951 1.00 0.00 WT1 O ATOM 26327 H1 TIP3 9058 26.543 49.985 61.735 1.00 0.00 WT1 H ATOM 26328 H2 TIP3 9058 27.146 48.600 61.631 1.00 0.00 WT1 H ATOM 26329 OH2 TIP3 9059 62.216 5.128 49.933 1.00 0.00 WT1 O ATOM 26330 H1 TIP3 9059 62.695 5.850 50.340 1.00 0.00 WT1 H ATOM 26331 H2 TIP3 9059 62.700 4.343 50.191 1.00 0.00 WT1 H ATOM 26332 OH2 TIP3 9060 63.996 41.381 46.206 1.00 0.00 WT1 O ATOM 26333 H1 TIP3 9060 63.954 40.920 47.044 1.00 0.00 WT1 H ATOM 26334 H2 TIP3 9060 63.083 41.469 45.934 1.00 0.00 WT1 H ATOM 26335 OH2 TIP3 9061 24.221 43.968 64.904 1.00 0.00 WT1 O ATOM 26336 H1 TIP3 9061 24.028 43.563 64.058 1.00 0.00 WT1 H ATOM 26337 H2 TIP3 9061 23.499 43.697 65.470 1.00 0.00 WT1 H ATOM 26338 OH2 TIP3 9062 32.258 54.038 40.343 1.00 0.00 WT1 O ATOM 26339 H1 TIP3 9062 33.095 53.833 39.926 1.00 0.00 WT1 H ATOM 26340 H2 TIP3 9062 31.875 54.720 39.791 1.00 0.00 WT1 H ATOM 26341 OH2 TIP3 9063 65.447 45.426 31.676 1.00 0.00 WT1 O ATOM 26342 H1 TIP3 9063 64.786 45.386 30.985 1.00 0.00 WT1 H ATOM 26343 H2 TIP3 9063 64.944 45.463 32.489 1.00 0.00 WT1 H ATOM 26344 OH2 TIP3 9066 31.267 86.927 15.745 1.00 0.00 WT1 O ATOM 26345 H1 TIP3 9066 32.091 86.958 15.258 1.00 0.00 WT1 H ATOM 26346 H2 TIP3 9066 31.470 86.410 16.525 1.00 0.00 WT1 H ATOM 26347 OH2 TIP3 9067 85.884 77.071 11.787 1.00 0.00 WT1 O ATOM 26348 H1 TIP3 9067 85.769 77.321 12.704 1.00 0.00 WT1 H ATOM 26349 H2 TIP3 9067 86.469 76.314 11.816 1.00 0.00 WT1 H ATOM 26350 OH2 TIP3 9070 24.387 34.318 62.974 1.00 0.00 WT1 O ATOM 26351 H1 TIP3 9070 24.498 35.052 62.370 1.00 0.00 WT1 H ATOM 26352 H2 TIP3 9070 24.745 34.634 63.804 1.00 0.00 WT1 H ATOM 26353 OH2 TIP3 9071 21.517 41.140 16.793 1.00 0.00 WT1 O ATOM 26354 H1 TIP3 9071 22.060 40.598 16.220 1.00 0.00 WT1 H ATOM 26355 H2 TIP3 9071 20.979 40.514 17.277 1.00 0.00 WT1 H ATOM 26356 OH2 TIP3 9072 57.429 28.836 15.448 1.00 0.00 WT1 O ATOM 26357 H1 TIP3 9072 57.554 28.257 16.200 1.00 0.00 WT1 H ATOM 26358 H2 TIP3 9072 57.277 29.699 15.833 1.00 0.00 WT1 H ATOM 26359 OH2 TIP3 9073 70.026 88.011 6.049 1.00 0.00 WT1 O ATOM 26360 H1 TIP3 9073 69.093 88.140 6.218 1.00 0.00 WT1 H ATOM 26361 H2 TIP3 9073 70.144 87.062 6.062 1.00 0.00 WT1 H ATOM 26362 OH2 TIP3 9074 68.176 24.780 -12.866 1.00 0.00 WT1 O ATOM 26363 H1 TIP3 9074 68.670 25.587 -13.011 1.00 0.00 WT1 H ATOM 26364 H2 TIP3 9074 67.394 24.876 -13.410 1.00 0.00 WT1 H ATOM 26365 OH2 TIP3 9075 28.592 78.411 9.816 1.00 0.00 WT1 O ATOM 26366 H1 TIP3 9075 28.734 79.052 10.513 1.00 0.00 WT1 H ATOM 26367 H2 TIP3 9075 29.467 78.078 9.615 1.00 0.00 WT1 H ATOM 26368 OH2 TIP3 9076 82.941 66.185 32.951 1.00 0.00 WT1 O ATOM 26369 H1 TIP3 9076 82.014 66.178 33.188 1.00 0.00 WT1 H ATOM 26370 H2 TIP3 9076 83.091 65.333 32.542 1.00 0.00 WT1 H ATOM 26371 OH2 TIP3 9078 77.474 39.240 53.535 1.00 0.00 WT1 O ATOM 26372 H1 TIP3 9078 76.582 39.091 53.219 1.00 0.00 WT1 H ATOM 26373 H2 TIP3 9078 77.689 38.448 54.027 1.00 0.00 WT1 H ATOM 26374 OH2 TIP3 9079 85.831 42.272 55.663 1.00 0.00 WT1 O ATOM 26375 H1 TIP3 9079 85.559 42.475 56.558 1.00 0.00 WT1 H ATOM 26376 H2 TIP3 9079 85.225 42.765 55.110 1.00 0.00 WT1 H ATOM 26377 OH2 TIP3 9080 42.399 91.392 5.990 1.00 0.00 WT1 O ATOM 26378 H1 TIP3 9080 42.701 90.489 5.891 1.00 0.00 WT1 H ATOM 26379 H2 TIP3 9080 43.033 91.912 5.497 1.00 0.00 WT1 H ATOM 26380 OH2 TIP3 9081 84.902 27.560 -12.034 1.00 0.00 WT1 O ATOM 26381 H1 TIP3 9081 84.965 26.915 -12.738 1.00 0.00 WT1 H ATOM 26382 H2 TIP3 9081 84.889 28.405 -12.482 1.00 0.00 WT1 H ATOM 26383 OH2 TIP3 9082 46.138 56.567 10.803 1.00 0.00 WT1 O ATOM 26384 H1 TIP3 9082 46.142 57.267 11.456 1.00 0.00 WT1 H ATOM 26385 H2 TIP3 9082 46.936 56.710 10.294 1.00 0.00 WT1 H ATOM 26386 OH2 TIP3 9083 57.757 62.588 39.396 1.00 0.00 WT1 O ATOM 26387 H1 TIP3 9083 58.298 61.977 38.896 1.00 0.00 WT1 H ATOM 26388 H2 TIP3 9083 57.324 63.124 38.733 1.00 0.00 WT1 H ATOM 26389 OH2 TIP3 9084 45.460 92.031 20.855 1.00 0.00 WT1 O ATOM 26390 H1 TIP3 9084 45.512 91.179 20.422 1.00 0.00 WT1 H ATOM 26391 H2 TIP3 9084 45.263 91.824 21.768 1.00 0.00 WT1 H ATOM 26392 OH2 TIP3 9085 20.691 73.766 0.957 1.00 0.00 WT1 O ATOM 26393 H1 TIP3 9085 20.772 72.861 1.259 1.00 0.00 WT1 H ATOM 26394 H2 TIP3 9085 21.120 73.773 0.102 1.00 0.00 WT1 H ATOM 26395 OH2 TIP3 9086 56.600 47.044 -14.889 1.00 0.00 WT1 O ATOM 26396 H1 TIP3 9086 56.342 47.959 -14.774 1.00 0.00 WT1 H ATOM 26397 H2 TIP3 9086 56.447 46.866 -15.816 1.00 0.00 WT1 H ATOM 26398 OH2 TIP3 9087 80.481 31.567 45.737 1.00 0.00 WT1 O ATOM 26399 H1 TIP3 9087 80.959 32.395 45.686 1.00 0.00 WT1 H ATOM 26400 H2 TIP3 9087 80.273 31.467 46.666 1.00 0.00 WT1 H ATOM 26401 OH2 TIP3 9088 87.615 7.843 57.780 1.00 0.00 WT1 O ATOM 26402 H1 TIP3 9088 87.260 8.244 56.986 1.00 0.00 WT1 H ATOM 26403 H2 TIP3 9088 88.276 7.228 57.463 1.00 0.00 WT1 H ATOM 26404 OH2 TIP3 9089 72.440 33.600 29.338 1.00 0.00 WT1 O ATOM 26405 H1 TIP3 9089 72.828 34.450 29.546 1.00 0.00 WT1 H ATOM 26406 H2 TIP3 9089 72.789 33.007 30.003 1.00 0.00 WT1 H ATOM 26407 OH2 TIP3 9090 89.486 83.911 25.006 1.00 0.00 WT1 O ATOM 26408 H1 TIP3 9090 89.806 84.796 25.183 1.00 0.00 WT1 H ATOM 26409 H2 TIP3 9090 88.557 84.028 24.809 1.00 0.00 WT1 H ATOM 26410 OH2 TIP3 9091 87.039 32.240 42.866 1.00 0.00 WT1 O ATOM 26411 H1 TIP3 9091 86.618 32.623 43.635 1.00 0.00 WT1 H ATOM 26412 H2 TIP3 9091 87.942 32.555 42.903 1.00 0.00 WT1 H ATOM 26413 OH2 TIP3 9092 21.061 47.539 36.872 1.00 0.00 WT1 O ATOM 26414 H1 TIP3 9092 21.707 47.680 37.564 1.00 0.00 WT1 H ATOM 26415 H2 TIP3 9092 21.393 48.043 36.129 1.00 0.00 WT1 H ATOM 26416 OH2 TIP3 9093 47.160 68.529 -13.725 1.00 0.00 WT1 O ATOM 26417 H1 TIP3 9093 47.982 68.395 -13.253 1.00 0.00 WT1 H ATOM 26418 H2 TIP3 9093 46.883 67.649 -13.980 1.00 0.00 WT1 H ATOM 26419 OH2 TIP3 9094 78.729 2.042 -3.680 1.00 0.00 WT1 O ATOM 26420 H1 TIP3 9094 78.916 2.973 -3.802 1.00 0.00 WT1 H ATOM 26421 H2 TIP3 9094 79.590 1.626 -3.653 1.00 0.00 WT1 H ATOM 26422 OH2 TIP3 9095 25.638 59.586 35.611 1.00 0.00 WT1 O ATOM 26423 H1 TIP3 9095 26.151 59.072 36.235 1.00 0.00 WT1 H ATOM 26424 H2 TIP3 9095 26.257 59.809 34.916 1.00 0.00 WT1 H ATOM 26425 OH2 TIP3 9096 62.798 77.107 46.917 1.00 0.00 WT1 O ATOM 26426 H1 TIP3 9096 63.023 77.311 46.009 1.00 0.00 WT1 H ATOM 26427 H2 TIP3 9096 61.843 77.041 46.918 1.00 0.00 WT1 H ATOM 26428 OH2 TIP3 9097 75.771 64.073 21.541 1.00 0.00 WT1 O ATOM 26429 H1 TIP3 9097 74.987 64.619 21.492 1.00 0.00 WT1 H ATOM 26430 H2 TIP3 9097 75.501 63.232 21.170 1.00 0.00 WT1 H ATOM 26431 OH2 TIP3 9098 89.318 70.481 22.119 1.00 0.00 WT1 O ATOM 26432 H1 TIP3 9098 88.439 70.118 22.015 1.00 0.00 WT1 H ATOM 26433 H2 TIP3 9098 89.226 71.140 22.808 1.00 0.00 WT1 H ATOM 26434 OH2 TIP3 9099 43.873 41.337 59.028 1.00 0.00 WT1 O ATOM 26435 H1 TIP3 9099 44.518 40.836 59.526 1.00 0.00 WT1 H ATOM 26436 H2 TIP3 9099 43.038 41.145 59.454 1.00 0.00 WT1 H ATOM 26437 OH2 TIP3 9100 63.626 81.273 0.530 1.00 0.00 WT1 O ATOM 26438 H1 TIP3 9100 63.750 80.700 1.287 1.00 0.00 WT1 H ATOM 26439 H2 TIP3 9100 64.492 81.331 0.128 1.00 0.00 WT1 H ATOM 26440 OH2 TIP3 9101 54.727 24.204 57.292 1.00 0.00 WT1 O ATOM 26441 H1 TIP3 9101 54.599 25.117 57.548 1.00 0.00 WT1 H ATOM 26442 H2 TIP3 9101 54.766 24.226 56.336 1.00 0.00 WT1 H ATOM 26443 OH2 TIP3 9102 88.635 45.209 31.456 1.00 0.00 WT1 O ATOM 26444 H1 TIP3 9102 88.154 44.469 31.828 1.00 0.00 WT1 H ATOM 26445 H2 TIP3 9102 88.142 45.445 30.671 1.00 0.00 WT1 H ATOM 26446 OH2 TIP3 9103 75.305 56.042 20.261 1.00 0.00 WT1 O ATOM 26447 H1 TIP3 9103 74.388 55.897 20.027 1.00 0.00 WT1 H ATOM 26448 H2 TIP3 9103 75.483 56.942 19.989 1.00 0.00 WT1 H ATOM 26449 OH2 TIP3 9104 78.117 30.912 35.913 1.00 0.00 WT1 O ATOM 26450 H1 TIP3 9104 77.670 30.992 36.756 1.00 0.00 WT1 H ATOM 26451 H2 TIP3 9104 79.048 30.945 36.131 1.00 0.00 WT1 H ATOM 26452 OH2 TIP3 9105 42.227 33.108 3.035 1.00 0.00 WT1 O ATOM 26453 H1 TIP3 9105 42.165 32.791 3.936 1.00 0.00 WT1 H ATOM 26454 H2 TIP3 9105 42.605 33.984 3.115 1.00 0.00 WT1 H ATOM 26455 OH2 TIP3 9106 38.804 34.584 12.339 1.00 0.00 WT1 O ATOM 26456 H1 TIP3 9106 39.534 35.121 12.646 1.00 0.00 WT1 H ATOM 26457 H2 TIP3 9106 38.027 34.993 12.721 1.00 0.00 WT1 H ATOM 26458 OH2 TIP3 9107 34.831 77.778 20.871 1.00 0.00 WT1 O ATOM 26459 H1 TIP3 9107 34.337 78.007 21.658 1.00 0.00 WT1 H ATOM 26460 H2 TIP3 9107 34.439 76.957 20.572 1.00 0.00 WT1 H ATOM 26461 OH2 TIP3 9108 59.946 29.278 55.884 1.00 0.00 WT1 O ATOM 26462 H1 TIP3 9108 59.107 28.961 56.219 1.00 0.00 WT1 H ATOM 26463 H2 TIP3 9108 59.744 29.613 55.011 1.00 0.00 WT1 H ATOM 26464 OH2 TIP3 9109 66.501 10.869 23.778 1.00 0.00 WT1 O ATOM 26465 H1 TIP3 9109 66.102 10.916 24.647 1.00 0.00 WT1 H ATOM 26466 H2 TIP3 9109 66.523 11.777 23.475 1.00 0.00 WT1 H ATOM 26467 OH2 TIP3 9110 61.676 61.096 57.707 1.00 0.00 WT1 O ATOM 26468 H1 TIP3 9110 61.760 60.145 57.638 1.00 0.00 WT1 H ATOM 26469 H2 TIP3 9110 60.921 61.229 58.280 1.00 0.00 WT1 H ATOM 26470 OH2 TIP3 9111 76.842 37.443 -19.338 1.00 0.00 WT1 O ATOM 26471 H1 TIP3 9111 76.338 36.703 -18.999 1.00 0.00 WT1 H ATOM 26472 H2 TIP3 9111 77.639 37.049 -19.691 1.00 0.00 WT1 H ATOM 26473 OH2 TIP3 9112 38.503 46.333 9.166 1.00 0.00 WT1 O ATOM 26474 H1 TIP3 9112 39.317 46.764 9.427 1.00 0.00 WT1 H ATOM 26475 H2 TIP3 9112 37.821 46.789 9.658 1.00 0.00 WT1 H ATOM 26476 OH2 TIP3 9113 59.313 83.751 45.013 1.00 0.00 WT1 O ATOM 26477 H1 TIP3 9113 59.766 83.200 44.375 1.00 0.00 WT1 H ATOM 26478 H2 TIP3 9113 58.813 83.136 45.550 1.00 0.00 WT1 H ATOM 26479 OH2 TIP3 9114 88.591 7.327 37.840 1.00 0.00 WT1 O ATOM 26480 H1 TIP3 9114 88.535 6.844 37.016 1.00 0.00 WT1 H ATOM 26481 H2 TIP3 9114 88.407 6.673 38.515 1.00 0.00 WT1 H ATOM 26482 OH2 TIP3 9115 42.139 16.551 46.642 1.00 0.00 WT1 O ATOM 26483 H1 TIP3 9115 42.028 15.979 45.883 1.00 0.00 WT1 H ATOM 26484 H2 TIP3 9115 42.578 17.328 46.295 1.00 0.00 WT1 H ATOM 26485 OH2 TIP3 9116 39.563 3.316 49.541 1.00 0.00 WT1 O ATOM 26486 H1 TIP3 9116 40.455 3.004 49.388 1.00 0.00 WT1 H ATOM 26487 H2 TIP3 9116 39.608 3.766 50.385 1.00 0.00 WT1 H ATOM 26488 OH2 TIP3 9117 38.770 91.891 8.740 1.00 0.00 WT1 O ATOM 26489 H1 TIP3 9117 38.392 91.044 8.975 1.00 0.00 WT1 H ATOM 26490 H2 TIP3 9117 38.506 92.027 7.829 1.00 0.00 WT1 H ATOM 26491 OH2 TIP3 9118 32.154 51.214 36.898 1.00 0.00 WT1 O ATOM 26492 H1 TIP3 9118 32.407 50.305 37.060 1.00 0.00 WT1 H ATOM 26493 H2 TIP3 9118 31.498 51.404 37.568 1.00 0.00 WT1 H ATOM 26494 OH2 TIP3 9119 30.584 36.858 64.200 1.00 0.00 WT1 O ATOM 26495 H1 TIP3 9119 30.955 36.050 63.844 1.00 0.00 WT1 H ATOM 26496 H2 TIP3 9119 31.269 37.207 64.769 1.00 0.00 WT1 H ATOM 26497 OH2 TIP3 9120 47.016 24.105 -1.858 1.00 0.00 WT1 O ATOM 26498 H1 TIP3 9120 47.557 23.850 -2.605 1.00 0.00 WT1 H ATOM 26499 H2 TIP3 9120 46.508 23.321 -1.652 1.00 0.00 WT1 H ATOM 26500 OH2 TIP3 9121 89.245 38.207 -11.011 1.00 0.00 WT1 O ATOM 26501 H1 TIP3 9121 89.983 37.660 -11.279 1.00 0.00 WT1 H ATOM 26502 H2 TIP3 9121 88.616 37.593 -10.632 1.00 0.00 WT1 H ATOM 26503 OH2 TIP3 9122 44.615 9.219 11.196 1.00 0.00 WT1 O ATOM 26504 H1 TIP3 9122 44.410 8.301 11.377 1.00 0.00 WT1 H ATOM 26505 H2 TIP3 9122 44.668 9.269 10.242 1.00 0.00 WT1 H ATOM 26506 OH2 TIP3 9123 21.111 46.637 28.533 1.00 0.00 WT1 O ATOM 26507 H1 TIP3 9123 20.963 47.561 28.731 1.00 0.00 WT1 H ATOM 26508 H2 TIP3 9123 21.111 46.593 27.577 1.00 0.00 WT1 H ATOM 26509 OH2 TIP3 9124 84.694 81.591 48.181 1.00 0.00 WT1 O ATOM 26510 H1 TIP3 9124 85.283 82.312 48.403 1.00 0.00 WT1 H ATOM 26511 H2 TIP3 9124 85.272 80.901 47.857 1.00 0.00 WT1 H ATOM 26512 OH2 TIP3 9125 44.705 56.643 16.039 1.00 0.00 WT1 O ATOM 26513 H1 TIP3 9125 45.232 57.027 16.740 1.00 0.00 WT1 H ATOM 26514 H2 TIP3 9125 45.328 56.129 15.525 1.00 0.00 WT1 H ATOM 26515 OH2 TIP3 9126 77.875 37.232 -2.378 1.00 0.00 WT1 O ATOM 26516 H1 TIP3 9126 78.459 37.073 -3.119 1.00 0.00 WT1 H ATOM 26517 H2 TIP3 9126 78.445 37.195 -1.611 1.00 0.00 WT1 H ATOM 26518 OH2 TIP3 9127 23.464 27.474 -11.604 1.00 0.00 WT1 O ATOM 26519 H1 TIP3 9127 23.167 27.918 -10.809 1.00 0.00 WT1 H ATOM 26520 H2 TIP3 9127 22.765 27.628 -12.240 1.00 0.00 WT1 H ATOM 26521 OH2 TIP3 9128 71.005 41.413 9.431 1.00 0.00 WT1 O ATOM 26522 H1 TIP3 9128 71.177 42.332 9.227 1.00 0.00 WT1 H ATOM 26523 H2 TIP3 9128 70.182 41.426 9.920 1.00 0.00 WT1 H ATOM 26524 OH2 TIP3 9129 71.263 1.008 18.036 1.00 0.00 WT1 O ATOM 26525 H1 TIP3 9129 71.673 1.186 17.190 1.00 0.00 WT1 H ATOM 26526 H2 TIP3 9129 71.143 1.871 18.432 1.00 0.00 WT1 H ATOM 26527 OH2 TIP3 9130 28.125 4.997 -7.918 1.00 0.00 WT1 O ATOM 26528 H1 TIP3 9130 28.646 4.201 -7.813 1.00 0.00 WT1 H ATOM 26529 H2 TIP3 9130 27.425 4.749 -8.522 1.00 0.00 WT1 H ATOM 26530 OH2 TIP3 9131 85.260 20.073 59.812 1.00 0.00 WT1 O ATOM 26531 H1 TIP3 9131 85.151 20.948 60.184 1.00 0.00 WT1 H ATOM 26532 H2 TIP3 9131 85.840 20.201 59.062 1.00 0.00 WT1 H ATOM 26533 OH2 TIP3 9132 20.935 39.965 20.205 1.00 0.00 WT1 O ATOM 26534 H1 TIP3 9132 20.547 40.729 20.633 1.00 0.00 WT1 H ATOM 26535 H2 TIP3 9132 20.898 39.275 20.867 1.00 0.00 WT1 H ATOM 26536 OH2 TIP3 9134 20.950 3.936 38.376 1.00 0.00 WT1 O ATOM 26537 H1 TIP3 9134 20.024 3.746 38.226 1.00 0.00 WT1 H ATOM 26538 H2 TIP3 9134 20.963 4.444 39.187 1.00 0.00 WT1 H ATOM 26539 OH2 TIP3 9135 48.595 34.319 42.739 1.00 0.00 WT1 O ATOM 26540 H1 TIP3 9135 48.113 34.981 42.243 1.00 0.00 WT1 H ATOM 26541 H2 TIP3 9135 49.481 34.674 42.815 1.00 0.00 WT1 H ATOM 26542 OH2 TIP3 9136 49.669 24.320 -10.764 1.00 0.00 WT1 O ATOM 26543 H1 TIP3 9136 49.713 23.450 -10.368 1.00 0.00 WT1 H ATOM 26544 H2 TIP3 9136 49.448 24.155 -11.681 1.00 0.00 WT1 H ATOM 26545 OH2 TIP3 9138 33.814 54.113 54.789 1.00 0.00 WT1 O ATOM 26546 H1 TIP3 9138 33.324 54.910 54.989 1.00 0.00 WT1 H ATOM 26547 H2 TIP3 9138 33.182 53.405 54.914 1.00 0.00 WT1 H ATOM 26548 OH2 TIP3 9139 60.248 32.638 56.418 1.00 0.00 WT1 O ATOM 26549 H1 TIP3 9139 60.197 32.757 55.469 1.00 0.00 WT1 H ATOM 26550 H2 TIP3 9139 60.233 31.689 56.541 1.00 0.00 WT1 H ATOM 26551 OH2 TIP3 9140 49.843 38.285 -5.021 1.00 0.00 WT1 O ATOM 26552 H1 TIP3 9140 50.637 38.719 -5.333 1.00 0.00 WT1 H ATOM 26553 H2 TIP3 9140 49.250 39.002 -4.797 1.00 0.00 WT1 H ATOM 26554 OH2 TIP3 9141 89.013 34.632 32.775 1.00 0.00 WT1 O ATOM 26555 H1 TIP3 9141 89.601 34.492 32.033 1.00 0.00 WT1 H ATOM 26556 H2 TIP3 9141 88.935 35.584 32.843 1.00 0.00 WT1 H ATOM 26557 OH2 TIP3 9142 47.056 12.317 50.178 1.00 0.00 WT1 O ATOM 26558 H1 TIP3 9142 46.482 11.550 50.174 1.00 0.00 WT1 H ATOM 26559 H2 TIP3 9142 46.570 12.977 50.672 1.00 0.00 WT1 H ATOM 26560 OH2 TIP3 9144 54.594 59.018 62.781 1.00 0.00 WT1 O ATOM 26561 H1 TIP3 9144 54.081 58.449 62.207 1.00 0.00 WT1 H ATOM 26562 H2 TIP3 9144 54.947 58.429 63.448 1.00 0.00 WT1 H ATOM 26563 OH2 TIP3 9145 64.969 22.822 46.268 1.00 0.00 WT1 O ATOM 26564 H1 TIP3 9145 65.835 22.821 45.861 1.00 0.00 WT1 H ATOM 26565 H2 TIP3 9145 64.825 23.733 46.524 1.00 0.00 WT1 H ATOM 26566 OH2 TIP3 9146 64.523 38.073 -11.964 1.00 0.00 WT1 O ATOM 26567 H1 TIP3 9146 64.129 38.791 -11.469 1.00 0.00 WT1 H ATOM 26568 H2 TIP3 9146 64.312 37.288 -11.459 1.00 0.00 WT1 H ATOM 26569 OH2 TIP3 9147 39.879 76.171 31.774 1.00 0.00 WT1 O ATOM 26570 H1 TIP3 9147 40.287 76.384 32.613 1.00 0.00 WT1 H ATOM 26571 H2 TIP3 9147 40.073 75.243 31.642 1.00 0.00 WT1 H ATOM 26572 OH2 TIP3 9148 73.534 64.656 30.939 1.00 0.00 WT1 O ATOM 26573 H1 TIP3 9148 72.720 65.011 30.583 1.00 0.00 WT1 H ATOM 26574 H2 TIP3 9148 73.289 63.801 31.293 1.00 0.00 WT1 H ATOM 26575 OH2 TIP3 9149 31.732 8.894 50.501 1.00 0.00 WT1 O ATOM 26576 H1 TIP3 9149 30.937 8.456 50.805 1.00 0.00 WT1 H ATOM 26577 H2 TIP3 9149 32.238 9.053 51.298 1.00 0.00 WT1 H ATOM 26578 OH2 TIP3 9150 50.007 79.986 41.651 1.00 0.00 WT1 O ATOM 26579 H1 TIP3 9150 50.561 79.458 41.076 1.00 0.00 WT1 H ATOM 26580 H2 TIP3 9150 49.132 79.610 41.552 1.00 0.00 WT1 H ATOM 26581 OH2 TIP3 9152 21.658 36.303 38.236 1.00 0.00 WT1 O ATOM 26582 H1 TIP3 9152 21.793 36.005 39.135 1.00 0.00 WT1 H ATOM 26583 H2 TIP3 9152 20.707 36.307 38.125 1.00 0.00 WT1 H ATOM 26584 OH2 TIP3 9153 73.233 49.851 15.984 1.00 0.00 WT1 O ATOM 26585 H1 TIP3 9153 72.560 49.246 16.293 1.00 0.00 WT1 H ATOM 26586 H2 TIP3 9153 72.749 50.632 15.715 1.00 0.00 WT1 H ATOM 26587 OH2 TIP3 9154 88.383 19.956 36.337 1.00 0.00 WT1 O ATOM 26588 H1 TIP3 9154 89.184 20.334 36.699 1.00 0.00 WT1 H ATOM 26589 H2 TIP3 9154 87.957 20.683 35.884 1.00 0.00 WT1 H ATOM 26590 OH2 TIP3 9155 73.060 41.620 23.886 1.00 0.00 WT1 O ATOM 26591 H1 TIP3 9155 73.738 42.295 23.887 1.00 0.00 WT1 H ATOM 26592 H2 TIP3 9155 72.239 42.104 23.798 1.00 0.00 WT1 H ATOM 26593 OH2 TIP3 9156 53.758 95.117 -2.816 1.00 0.00 WT1 O ATOM 26594 H1 TIP3 9156 53.465 94.221 -2.649 1.00 0.00 WT1 H ATOM 26595 H2 TIP3 9156 54.222 95.065 -3.652 1.00 0.00 WT1 H ATOM 26596 OH2 TIP3 9157 88.014 27.811 15.351 1.00 0.00 WT1 O ATOM 26597 H1 TIP3 9157 88.791 28.023 14.833 1.00 0.00 WT1 H ATOM 26598 H2 TIP3 9157 87.452 27.321 14.751 1.00 0.00 WT1 H ATOM 26599 OH2 TIP3 9158 89.564 74.872 62.109 1.00 0.00 WT1 O ATOM 26600 H1 TIP3 9158 90.094 75.486 61.601 1.00 0.00 WT1 H ATOM 26601 H2 TIP3 9158 90.200 74.279 62.508 1.00 0.00 WT1 H ATOM 26602 OH2 TIP3 9159 69.345 65.676 44.794 1.00 0.00 WT1 O ATOM 26603 H1 TIP3 9159 69.040 66.383 44.225 1.00 0.00 WT1 H ATOM 26604 H2 TIP3 9159 68.964 64.883 44.418 1.00 0.00 WT1 H ATOM 26605 OH2 TIP3 9160 52.326 41.308 10.361 1.00 0.00 WT1 O ATOM 26606 H1 TIP3 9160 52.064 40.422 10.110 1.00 0.00 WT1 H ATOM 26607 H2 TIP3 9160 51.539 41.836 10.233 1.00 0.00 WT1 H ATOM 26608 OH2 TIP3 9161 20.893 43.777 50.229 1.00 0.00 WT1 O ATOM 26609 H1 TIP3 9161 21.759 43.390 50.358 1.00 0.00 WT1 H ATOM 26610 H2 TIP3 9161 20.548 43.339 49.451 1.00 0.00 WT1 H ATOM 26611 OH2 TIP3 9162 67.270 30.550 42.799 1.00 0.00 WT1 O ATOM 26612 H1 TIP3 9162 67.169 30.219 43.691 1.00 0.00 WT1 H ATOM 26613 H2 TIP3 9162 66.414 30.919 42.581 1.00 0.00 WT1 H ATOM 26614 OH2 TIP3 9163 34.353 21.125 59.196 1.00 0.00 WT1 O ATOM 26615 H1 TIP3 9163 33.813 21.835 58.848 1.00 0.00 WT1 H ATOM 26616 H2 TIP3 9163 34.240 20.409 58.571 1.00 0.00 WT1 H ATOM 26617 OH2 TIP3 9164 27.126 75.931 38.604 1.00 0.00 WT1 O ATOM 26618 H1 TIP3 9164 26.644 75.475 39.294 1.00 0.00 WT1 H ATOM 26619 H2 TIP3 9164 28.001 75.545 38.627 1.00 0.00 WT1 H ATOM 26620 OH2 TIP3 9165 35.135 50.807 39.210 1.00 0.00 WT1 O ATOM 26621 H1 TIP3 9165 34.935 51.361 39.965 1.00 0.00 WT1 H ATOM 26622 H2 TIP3 9165 35.040 51.387 38.455 1.00 0.00 WT1 H ATOM 26623 OH2 TIP3 9166 74.052 89.824 18.124 1.00 0.00 WT1 O ATOM 26624 H1 TIP3 9166 74.421 89.021 18.492 1.00 0.00 WT1 H ATOM 26625 H2 TIP3 9166 74.369 89.842 17.221 1.00 0.00 WT1 H ATOM 26626 OH2 TIP3 9167 80.986 6.154 50.720 1.00 0.00 WT1 O ATOM 26627 H1 TIP3 9167 80.077 6.439 50.809 1.00 0.00 WT1 H ATOM 26628 H2 TIP3 9167 81.004 5.659 49.901 1.00 0.00 WT1 H ATOM 26629 OH2 TIP3 9168 26.861 40.197 39.439 1.00 0.00 WT1 O ATOM 26630 H1 TIP3 9168 27.070 40.937 38.869 1.00 0.00 WT1 H ATOM 26631 H2 TIP3 9168 26.273 39.651 38.918 1.00 0.00 WT1 H ATOM 26632 OH2 TIP3 9169 64.341 38.223 20.212 1.00 0.00 WT1 O ATOM 26633 H1 TIP3 9169 64.432 37.798 21.064 1.00 0.00 WT1 H ATOM 26634 H2 TIP3 9169 64.055 37.524 19.624 1.00 0.00 WT1 H ATOM 26635 OH2 TIP3 9170 86.799 17.932 -8.673 1.00 0.00 WT1 O ATOM 26636 H1 TIP3 9170 87.682 17.572 -8.755 1.00 0.00 WT1 H ATOM 26637 H2 TIP3 9170 86.389 17.408 -7.985 1.00 0.00 WT1 H ATOM 26638 OH2 TIP3 9171 60.077 87.892 13.970 1.00 0.00 WT1 O ATOM 26639 H1 TIP3 9171 59.910 87.904 14.912 1.00 0.00 WT1 H ATOM 26640 H2 TIP3 9171 59.693 87.069 13.669 1.00 0.00 WT1 H ATOM 26641 OH2 TIP3 9172 41.964 79.774 30.925 1.00 0.00 WT1 O ATOM 26642 H1 TIP3 9172 42.255 80.669 30.751 1.00 0.00 WT1 H ATOM 26643 H2 TIP3 9172 42.388 79.248 30.248 1.00 0.00 WT1 H ATOM 26644 OH2 TIP3 9173 50.064 36.709 42.479 1.00 0.00 WT1 O ATOM 26645 H1 TIP3 9173 49.639 36.960 43.300 1.00 0.00 WT1 H ATOM 26646 H2 TIP3 9173 49.819 37.399 41.862 1.00 0.00 WT1 H ATOM 26647 OH2 TIP3 9174 34.369 70.207 40.065 1.00 0.00 WT1 O ATOM 26648 H1 TIP3 9174 34.148 69.433 39.547 1.00 0.00 WT1 H ATOM 26649 H2 TIP3 9174 34.574 70.880 39.416 1.00 0.00 WT1 H ATOM 26650 OH2 TIP3 9175 70.034 21.891 49.626 1.00 0.00 WT1 O ATOM 26651 H1 TIP3 9175 69.482 21.117 49.737 1.00 0.00 WT1 H ATOM 26652 H2 TIP3 9175 69.834 22.439 50.385 1.00 0.00 WT1 H ATOM 26653 OH2 TIP3 9176 32.130 49.588 31.961 1.00 0.00 WT1 O ATOM 26654 H1 TIP3 9176 31.542 48.921 32.316 1.00 0.00 WT1 H ATOM 26655 H2 TIP3 9176 31.590 50.081 31.344 1.00 0.00 WT1 H ATOM 26656 OH2 TIP3 9177 34.900 88.099 -0.465 1.00 0.00 WT1 O ATOM 26657 H1 TIP3 9177 33.971 88.303 -0.575 1.00 0.00 WT1 H ATOM 26658 H2 TIP3 9177 35.044 88.139 0.480 1.00 0.00 WT1 H ATOM 26659 OH2 TIP3 9178 69.245 48.938 -12.837 1.00 0.00 WT1 O ATOM 26660 H1 TIP3 9178 69.874 48.222 -12.923 1.00 0.00 WT1 H ATOM 26661 H2 TIP3 9178 69.408 49.298 -11.965 1.00 0.00 WT1 H ATOM 26662 OH2 TIP3 9179 29.895 33.874 -18.754 1.00 0.00 WT1 O ATOM 26663 H1 TIP3 9179 29.224 33.333 -19.170 1.00 0.00 WT1 H ATOM 26664 H2 TIP3 9179 30.325 33.287 -18.132 1.00 0.00 WT1 H ATOM 26665 OH2 TIP3 9180 37.373 80.453 5.805 1.00 0.00 WT1 O ATOM 26666 H1 TIP3 9180 37.713 80.491 4.911 1.00 0.00 WT1 H ATOM 26667 H2 TIP3 9180 36.537 79.994 5.725 1.00 0.00 WT1 H ATOM 26668 OH2 TIP3 9181 56.717 45.342 -12.755 1.00 0.00 WT1 O ATOM 26669 H1 TIP3 9181 57.342 44.667 -13.020 1.00 0.00 WT1 H ATOM 26670 H2 TIP3 9181 56.712 45.964 -13.482 1.00 0.00 WT1 H ATOM 26671 OH2 TIP3 9182 61.629 15.975 42.948 1.00 0.00 WT1 O ATOM 26672 H1 TIP3 9182 60.831 15.461 42.826 1.00 0.00 WT1 H ATOM 26673 H2 TIP3 9182 62.131 15.834 42.146 1.00 0.00 WT1 H ATOM 26674 OH2 TIP3 9183 85.763 70.649 1.217 1.00 0.00 WT1 O ATOM 26675 H1 TIP3 9183 85.745 70.598 0.262 1.00 0.00 WT1 H ATOM 26676 H2 TIP3 9183 86.511 70.109 1.472 1.00 0.00 WT1 H ATOM 26677 OH2 TIP3 9184 48.811 19.488 52.986 1.00 0.00 WT1 O ATOM 26678 H1 TIP3 9184 48.897 18.952 53.775 1.00 0.00 WT1 H ATOM 26679 H2 TIP3 9184 48.076 19.099 52.512 1.00 0.00 WT1 H ATOM 26680 OH2 TIP3 9185 35.301 60.139 -5.090 1.00 0.00 WT1 O ATOM 26681 H1 TIP3 9185 35.138 60.619 -4.277 1.00 0.00 WT1 H ATOM 26682 H2 TIP3 9185 35.275 60.809 -5.773 1.00 0.00 WT1 H ATOM 26683 OH2 TIP3 9186 79.394 72.091 13.700 1.00 0.00 WT1 O ATOM 26684 H1 TIP3 9186 78.908 71.787 14.466 1.00 0.00 WT1 H ATOM 26685 H2 TIP3 9186 78.799 71.945 12.964 1.00 0.00 WT1 H ATOM 26686 OH2 TIP3 9187 31.285 46.301 58.658 1.00 0.00 WT1 O ATOM 26687 H1 TIP3 9187 31.568 46.057 59.539 1.00 0.00 WT1 H ATOM 26688 H2 TIP3 9187 30.544 46.891 58.798 1.00 0.00 WT1 H ATOM 26689 OH2 TIP3 9188 22.689 45.699 16.794 1.00 0.00 WT1 O ATOM 26690 H1 TIP3 9188 23.486 45.210 16.588 1.00 0.00 WT1 H ATOM 26691 H2 TIP3 9188 22.883 46.598 16.529 1.00 0.00 WT1 H ATOM 26692 OH2 TIP3 9189 36.343 50.309 15.656 1.00 0.00 WT1 O ATOM 26693 H1 TIP3 9189 37.129 50.343 15.110 1.00 0.00 WT1 H ATOM 26694 H2 TIP3 9189 36.482 50.984 16.320 1.00 0.00 WT1 H ATOM 26695 OH2 TIP3 9190 77.290 37.506 57.616 1.00 0.00 WT1 O ATOM 26696 H1 TIP3 9190 77.868 38.218 57.343 1.00 0.00 WT1 H ATOM 26697 H2 TIP3 9190 77.217 36.947 56.843 1.00 0.00 WT1 H ATOM 26698 OH2 TIP3 9191 66.907 60.541 45.303 1.00 0.00 WT1 O ATOM 26699 H1 TIP3 9191 66.533 60.516 44.422 1.00 0.00 WT1 H ATOM 26700 H2 TIP3 9191 66.147 60.577 45.885 1.00 0.00 WT1 H ATOM 26701 OH2 TIP3 9192 43.804 53.902 31.428 1.00 0.00 WT1 O ATOM 26702 H1 TIP3 9192 43.894 54.529 32.146 1.00 0.00 WT1 H ATOM 26703 H2 TIP3 9192 44.332 54.270 30.720 1.00 0.00 WT1 H ATOM 26704 OH2 TIP3 9193 81.133 66.524 13.500 1.00 0.00 WT1 O ATOM 26705 H1 TIP3 9193 81.441 65.738 13.048 1.00 0.00 WT1 H ATOM 26706 H2 TIP3 9193 81.182 66.301 14.430 1.00 0.00 WT1 H ATOM 26707 OH2 TIP3 9194 90.081 90.186 14.047 1.00 0.00 WT1 O ATOM 26708 H1 TIP3 9194 90.699 89.908 14.724 1.00 0.00 WT1 H ATOM 26709 H2 TIP3 9194 89.220 89.976 14.408 1.00 0.00 WT1 H ATOM 26710 OH2 TIP3 9195 32.684 82.205 7.665 1.00 0.00 WT1 O ATOM 26711 H1 TIP3 9195 31.818 82.397 7.306 1.00 0.00 WT1 H ATOM 26712 H2 TIP3 9195 33.124 81.707 6.976 1.00 0.00 WT1 H ATOM 26713 OH2 TIP3 9196 70.696 58.231 14.540 1.00 0.00 WT1 O ATOM 26714 H1 TIP3 9196 69.952 58.820 14.417 1.00 0.00 WT1 H ATOM 26715 H2 TIP3 9196 70.714 58.060 15.482 1.00 0.00 WT1 H ATOM 26716 OH2 TIP3 9197 25.449 61.998 46.546 1.00 0.00 WT1 O ATOM 26717 H1 TIP3 9197 25.781 62.896 46.538 1.00 0.00 WT1 H ATOM 26718 H2 TIP3 9197 24.688 62.029 47.126 1.00 0.00 WT1 H ATOM 26719 OH2 TIP3 9198 28.039 79.746 21.083 1.00 0.00 WT1 O ATOM 26720 H1 TIP3 9198 28.340 80.351 21.762 1.00 0.00 WT1 H ATOM 26721 H2 TIP3 9198 27.087 79.844 21.079 1.00 0.00 WT1 H ATOM 26722 OH2 TIP3 9199 37.753 53.321 38.326 1.00 0.00 WT1 O ATOM 26723 H1 TIP3 9199 37.199 53.640 37.614 1.00 0.00 WT1 H ATOM 26724 H2 TIP3 9199 38.509 53.910 38.325 1.00 0.00 WT1 H ATOM 26725 OH2 TIP3 9200 26.075 23.269 47.640 1.00 0.00 WT1 O ATOM 26726 H1 TIP3 9200 25.779 23.751 48.412 1.00 0.00 WT1 H ATOM 26727 H2 TIP3 9200 26.144 23.933 46.954 1.00 0.00 WT1 H ATOM 26728 OH2 TIP3 9201 28.213 79.825 1.350 1.00 0.00 WT1 O ATOM 26729 H1 TIP3 9201 27.801 79.652 0.503 1.00 0.00 WT1 H ATOM 26730 H2 TIP3 9201 27.491 80.093 1.918 1.00 0.00 WT1 H ATOM 26731 OH2 TIP3 9202 61.783 87.505 18.610 1.00 0.00 WT1 O ATOM 26732 H1 TIP3 9202 60.848 87.310 18.552 1.00 0.00 WT1 H ATOM 26733 H2 TIP3 9202 62.063 87.102 19.431 1.00 0.00 WT1 H ATOM 26734 OH2 TIP3 9203 46.205 55.833 53.031 1.00 0.00 WT1 O ATOM 26735 H1 TIP3 9203 45.817 54.958 53.059 1.00 0.00 WT1 H ATOM 26736 H2 TIP3 9203 46.406 55.976 52.106 1.00 0.00 WT1 H ATOM 26737 OH2 TIP3 9204 64.969 41.821 3.581 1.00 0.00 WT1 O ATOM 26738 H1 TIP3 9204 64.169 41.313 3.716 1.00 0.00 WT1 H ATOM 26739 H2 TIP3 9204 64.661 42.706 3.388 1.00 0.00 WT1 H ATOM 26740 OH2 TIP3 9205 43.257 70.325 66.794 1.00 0.00 WT1 O ATOM 26741 H1 TIP3 9205 43.765 70.750 66.103 1.00 0.00 WT1 H ATOM 26742 H2 TIP3 9205 43.429 69.390 66.678 1.00 0.00 WT1 H ATOM 26743 OH2 TIP3 9206 36.317 58.459 0.898 1.00 0.00 WT1 O ATOM 26744 H1 TIP3 9206 35.811 59.122 1.368 1.00 0.00 WT1 H ATOM 26745 H2 TIP3 9206 36.706 57.921 1.587 1.00 0.00 WT1 H ATOM 26746 OH2 TIP3 9207 79.302 8.294 47.513 1.00 0.00 WT1 O ATOM 26747 H1 TIP3 9207 78.564 8.866 47.305 1.00 0.00 WT1 H ATOM 26748 H2 TIP3 9207 78.996 7.766 48.251 1.00 0.00 WT1 H ATOM 26749 OH2 TIP3 9208 60.163 48.919 15.798 1.00 0.00 WT1 O ATOM 26750 H1 TIP3 9208 60.922 48.900 16.381 1.00 0.00 WT1 H ATOM 26751 H2 TIP3 9208 59.408 48.874 16.385 1.00 0.00 WT1 H ATOM 26752 OH2 TIP3 9209 48.566 27.837 -13.674 1.00 0.00 WT1 O ATOM 26753 H1 TIP3 9209 48.594 27.454 -14.551 1.00 0.00 WT1 H ATOM 26754 H2 TIP3 9209 48.091 28.660 -13.786 1.00 0.00 WT1 H ATOM 26755 OH2 TIP3 9210 22.503 96.702 64.007 1.00 0.00 WT1 O ATOM 26756 H1 TIP3 9210 22.073 95.854 64.121 1.00 0.00 WT1 H ATOM 26757 H2 TIP3 9210 22.888 96.893 64.862 1.00 0.00 WT1 H ATOM 26758 OH2 TIP3 9211 22.916 76.472 -15.212 1.00 0.00 WT1 O ATOM 26759 H1 TIP3 9211 23.597 76.421 -15.882 1.00 0.00 WT1 H ATOM 26760 H2 TIP3 9211 22.971 77.369 -14.881 1.00 0.00 WT1 H ATOM 26761 OH2 TIP3 9212 42.139 20.151 28.632 1.00 0.00 WT1 O ATOM 26762 H1 TIP3 9212 42.318 20.120 27.692 1.00 0.00 WT1 H ATOM 26763 H2 TIP3 9212 41.185 20.122 28.695 1.00 0.00 WT1 H ATOM 26764 OH2 TIP3 9213 47.939 29.511 28.967 1.00 0.00 WT1 O ATOM 26765 H1 TIP3 9213 47.657 29.529 28.053 1.00 0.00 WT1 H ATOM 26766 H2 TIP3 9213 47.140 29.678 29.468 1.00 0.00 WT1 H ATOM 26767 OH2 TIP3 9214 25.717 57.347 56.024 1.00 0.00 WT1 O ATOM 26768 H1 TIP3 9214 25.448 58.089 55.482 1.00 0.00 WT1 H ATOM 26769 H2 TIP3 9214 25.130 56.636 55.766 1.00 0.00 WT1 H ATOM 26770 OH2 TIP3 9215 85.301 54.686 -10.075 1.00 0.00 WT1 O ATOM 26771 H1 TIP3 9215 85.576 54.743 -9.159 1.00 0.00 WT1 H ATOM 26772 H2 TIP3 9215 84.790 53.878 -10.122 1.00 0.00 WT1 H ATOM 26773 OH2 TIP3 9216 57.459 57.983 23.932 1.00 0.00 WT1 O ATOM 26774 H1 TIP3 9216 56.772 58.236 23.315 1.00 0.00 WT1 H ATOM 26775 H2 TIP3 9216 56.988 57.605 24.674 1.00 0.00 WT1 H ATOM 26776 OH2 TIP3 9217 28.795 58.220 53.912 1.00 0.00 WT1 O ATOM 26777 H1 TIP3 9217 29.510 58.322 53.284 1.00 0.00 WT1 H ATOM 26778 H2 TIP3 9217 28.439 59.102 54.015 1.00 0.00 WT1 H ATOM 26779 OH2 TIP3 9218 83.252 54.517 2.490 1.00 0.00 WT1 O ATOM 26780 H1 TIP3 9218 82.398 54.686 2.092 1.00 0.00 WT1 H ATOM 26781 H2 TIP3 9218 83.072 54.456 3.428 1.00 0.00 WT1 H ATOM 26782 OH2 TIP3 9219 30.625 73.373 3.816 1.00 0.00 WT1 O ATOM 26783 H1 TIP3 9219 30.628 72.699 4.496 1.00 0.00 WT1 H ATOM 26784 H2 TIP3 9219 31.294 73.089 3.194 1.00 0.00 WT1 H ATOM 26785 OH2 TIP3 9220 88.050 88.251 -4.365 1.00 0.00 WT1 O ATOM 26786 H1 TIP3 9220 87.712 87.425 -4.017 1.00 0.00 WT1 H ATOM 26787 H2 TIP3 9220 88.667 87.988 -5.048 1.00 0.00 WT1 H ATOM 26788 OH2 TIP3 9222 78.160 70.650 -5.099 1.00 0.00 WT1 O ATOM 26789 H1 TIP3 9222 78.768 71.068 -4.489 1.00 0.00 WT1 H ATOM 26790 H2 TIP3 9222 77.984 71.320 -5.760 1.00 0.00 WT1 H ATOM 26791 OH2 TIP3 9223 52.496 22.115 66.906 1.00 0.00 WT1 O ATOM 26792 H1 TIP3 9223 53.153 22.711 66.545 1.00 0.00 WT1 H ATOM 26793 H2 TIP3 9223 51.701 22.304 66.407 1.00 0.00 WT1 H ATOM 26794 OH2 TIP3 9224 82.169 23.643 46.549 1.00 0.00 WT1 O ATOM 26795 H1 TIP3 9224 82.062 24.593 46.585 1.00 0.00 WT1 H ATOM 26796 H2 TIP3 9224 83.116 23.506 46.587 1.00 0.00 WT1 H ATOM 26797 OH2 TIP3 9225 56.500 81.169 43.289 1.00 0.00 WT1 O ATOM 26798 H1 TIP3 9225 56.211 80.681 42.518 1.00 0.00 WT1 H ATOM 26799 H2 TIP3 9225 57.447 81.034 43.317 1.00 0.00 WT1 H ATOM 26800 OH2 TIP3 9226 78.272 81.866 -14.803 1.00 0.00 WT1 O ATOM 26801 H1 TIP3 9226 78.455 82.249 -13.945 1.00 0.00 WT1 H ATOM 26802 H2 TIP3 9226 78.090 82.618 -15.367 1.00 0.00 WT1 H ATOM 26803 OH2 TIP3 9227 21.736 69.198 59.546 1.00 0.00 WT1 O ATOM 26804 H1 TIP3 9227 20.839 68.971 59.303 1.00 0.00 WT1 H ATOM 26805 H2 TIP3 9227 21.641 69.794 60.289 1.00 0.00 WT1 H ATOM 26806 OH2 TIP3 9228 42.586 58.331 -5.768 1.00 0.00 WT1 O ATOM 26807 H1 TIP3 9228 42.591 58.525 -4.831 1.00 0.00 WT1 H ATOM 26808 H2 TIP3 9228 43.479 58.516 -6.057 1.00 0.00 WT1 H ATOM 26809 OH2 TIP3 9229 54.484 66.144 20.425 1.00 0.00 WT1 O ATOM 26810 H1 TIP3 9229 54.747 66.546 19.597 1.00 0.00 WT1 H ATOM 26811 H2 TIP3 9229 54.661 65.211 20.306 1.00 0.00 WT1 H ATOM 26812 OH2 TIP3 9230 87.437 37.825 17.183 1.00 0.00 WT1 O ATOM 26813 H1 TIP3 9230 87.430 37.374 16.339 1.00 0.00 WT1 H ATOM 26814 H2 TIP3 9230 86.949 37.246 17.769 1.00 0.00 WT1 H ATOM 26815 OH2 TIP3 9231 36.570 22.442 59.221 1.00 0.00 WT1 O ATOM 26816 H1 TIP3 9231 37.174 21.765 59.527 1.00 0.00 WT1 H ATOM 26817 H2 TIP3 9231 35.710 22.021 59.236 1.00 0.00 WT1 H ATOM 26818 OH2 TIP3 9232 44.548 38.778 15.233 1.00 0.00 WT1 O ATOM 26819 H1 TIP3 9232 45.388 39.026 15.619 1.00 0.00 WT1 H ATOM 26820 H2 TIP3 9232 44.084 38.327 15.938 1.00 0.00 WT1 H ATOM 26821 OH2 TIP3 9233 72.866 46.309 32.310 1.00 0.00 WT1 O ATOM 26822 H1 TIP3 9233 73.429 46.676 31.630 1.00 0.00 WT1 H ATOM 26823 H2 TIP3 9233 72.062 46.066 31.851 1.00 0.00 WT1 H ATOM 26824 OH2 TIP3 9234 44.543 3.564 50.910 1.00 0.00 WT1 O ATOM 26825 H1 TIP3 9234 45.109 2.792 50.923 1.00 0.00 WT1 H ATOM 26826 H2 TIP3 9234 44.617 3.932 51.790 1.00 0.00 WT1 H ATOM 26827 OH2 TIP3 9235 74.489 83.028 28.797 1.00 0.00 WT1 O ATOM 26828 H1 TIP3 9235 74.118 82.592 28.030 1.00 0.00 WT1 H ATOM 26829 H2 TIP3 9235 74.300 82.436 29.525 1.00 0.00 WT1 H ATOM 26830 OH2 TIP3 9236 35.511 58.759 -2.298 1.00 0.00 WT1 O ATOM 26831 H1 TIP3 9236 35.925 59.106 -1.508 1.00 0.00 WT1 H ATOM 26832 H2 TIP3 9236 36.095 59.023 -3.010 1.00 0.00 WT1 H ATOM 26833 OH2 TIP3 9237 36.063 39.084 33.375 1.00 0.00 WT1 O ATOM 26834 H1 TIP3 9237 36.249 39.982 33.650 1.00 0.00 WT1 H ATOM 26835 H2 TIP3 9237 35.312 39.164 32.786 1.00 0.00 WT1 H ATOM 26836 OH2 TIP3 9238 85.106 55.981 38.493 1.00 0.00 WT1 O ATOM 26837 H1 TIP3 9238 84.756 56.853 38.676 1.00 0.00 WT1 H ATOM 26838 H2 TIP3 9238 84.404 55.383 38.750 1.00 0.00 WT1 H ATOM 26839 OH2 TIP3 9239 27.412 5.108 36.876 1.00 0.00 WT1 O ATOM 26840 H1 TIP3 9239 28.207 4.696 36.539 1.00 0.00 WT1 H ATOM 26841 H2 TIP3 9239 27.606 5.291 37.795 1.00 0.00 WT1 H ATOM 26842 OH2 TIP3 9240 66.380 49.241 54.455 1.00 0.00 WT1 O ATOM 26843 H1 TIP3 9240 66.024 49.231 55.344 1.00 0.00 WT1 H ATOM 26844 H2 TIP3 9240 66.882 50.055 54.407 1.00 0.00 WT1 H ATOM 26845 OH2 TIP3 9241 84.298 15.204 62.986 1.00 0.00 WT1 O ATOM 26846 H1 TIP3 9241 83.461 14.782 63.181 1.00 0.00 WT1 H ATOM 26847 H2 TIP3 9241 84.956 14.550 63.222 1.00 0.00 WT1 H ATOM 26848 OH2 TIP3 9243 57.206 24.766 17.024 1.00 0.00 WT1 O ATOM 26849 H1 TIP3 9243 56.709 24.700 17.839 1.00 0.00 WT1 H ATOM 26850 H2 TIP3 9243 57.454 25.689 16.968 1.00 0.00 WT1 H ATOM 26851 OH2 TIP3 9244 75.589 87.642 21.808 1.00 0.00 WT1 O ATOM 26852 H1 TIP3 9244 76.345 87.532 22.385 1.00 0.00 WT1 H ATOM 26853 H2 TIP3 9244 74.952 87.000 22.121 1.00 0.00 WT1 H ATOM 26854 OH2 TIP3 9245 54.872 80.167 57.827 1.00 0.00 WT1 O ATOM 26855 H1 TIP3 9245 55.141 79.251 57.761 1.00 0.00 WT1 H ATOM 26856 H2 TIP3 9245 55.008 80.521 56.948 1.00 0.00 WT1 H ATOM 26857 OH2 TIP3 9246 90.163 43.855 -13.906 1.00 0.00 WT1 O ATOM 26858 H1 TIP3 9246 90.804 43.586 -13.249 1.00 0.00 WT1 H ATOM 26859 H2 TIP3 9246 90.510 43.518 -14.732 1.00 0.00 WT1 H ATOM 26860 OH2 TIP3 9247 56.735 45.588 4.579 1.00 0.00 WT1 O ATOM 26861 H1 TIP3 9247 55.955 45.352 4.078 1.00 0.00 WT1 H ATOM 26862 H2 TIP3 9247 57.034 46.409 4.186 1.00 0.00 WT1 H ATOM 26863 OH2 TIP3 9248 50.681 68.937 -2.382 1.00 0.00 WT1 O ATOM 26864 H1 TIP3 9248 51.452 69.470 -2.578 1.00 0.00 WT1 H ATOM 26865 H2 TIP3 9248 50.795 68.677 -1.468 1.00 0.00 WT1 H ATOM 26866 OH2 TIP3 9249 76.236 71.566 48.750 1.00 0.00 WT1 O ATOM 26867 H1 TIP3 9249 75.756 70.738 48.721 1.00 0.00 WT1 H ATOM 26868 H2 TIP3 9249 75.886 72.072 48.016 1.00 0.00 WT1 H ATOM 26869 OH2 TIP3 9250 23.396 60.561 4.406 1.00 0.00 WT1 O ATOM 26870 H1 TIP3 9250 23.236 59.666 4.106 1.00 0.00 WT1 H ATOM 26871 H2 TIP3 9250 24.184 60.496 4.945 1.00 0.00 WT1 H ATOM 26872 OH2 TIP3 9251 23.440 60.601 66.220 1.00 0.00 WT1 O ATOM 26873 H1 TIP3 9251 22.814 60.892 65.557 1.00 0.00 WT1 H ATOM 26874 H2 TIP3 9251 23.050 59.808 66.587 1.00 0.00 WT1 H ATOM 26875 OH2 TIP3 9252 24.344 27.999 30.427 1.00 0.00 WT1 O ATOM 26876 H1 TIP3 9252 24.386 28.225 29.498 1.00 0.00 WT1 H ATOM 26877 H2 TIP3 9252 24.588 27.074 30.460 1.00 0.00 WT1 H ATOM 26878 OH2 TIP3 9253 77.129 73.108 19.347 1.00 0.00 WT1 O ATOM 26879 H1 TIP3 9253 77.206 73.710 18.607 1.00 0.00 WT1 H ATOM 26880 H2 TIP3 9253 78.005 72.734 19.443 1.00 0.00 WT1 H ATOM 26881 OH2 TIP3 9254 45.838 29.568 30.738 1.00 0.00 WT1 O ATOM 26882 H1 TIP3 9254 45.778 30.187 31.466 1.00 0.00 WT1 H ATOM 26883 H2 TIP3 9254 46.065 28.734 31.150 1.00 0.00 WT1 H ATOM 26884 OH2 TIP3 9255 51.196 20.770 -12.826 1.00 0.00 WT1 O ATOM 26885 H1 TIP3 9255 51.550 20.716 -13.714 1.00 0.00 WT1 H ATOM 26886 H2 TIP3 9255 50.778 19.921 -12.682 1.00 0.00 WT1 H ATOM 26887 OH2 TIP3 9256 80.143 60.828 13.325 1.00 0.00 WT1 O ATOM 26888 H1 TIP3 9256 79.636 61.534 12.924 1.00 0.00 WT1 H ATOM 26889 H2 TIP3 9256 79.753 60.715 14.192 1.00 0.00 WT1 H ATOM 26890 OH2 TIP3 9257 51.144 94.658 4.695 1.00 0.00 WT1 O ATOM 26891 H1 TIP3 9257 50.660 94.412 5.483 1.00 0.00 WT1 H ATOM 26892 H2 TIP3 9257 50.480 95.021 4.109 1.00 0.00 WT1 H ATOM 26893 OH2 TIP3 9258 51.956 17.352 55.471 1.00 0.00 WT1 O ATOM 26894 H1 TIP3 9258 52.777 17.094 55.890 1.00 0.00 WT1 H ATOM 26895 H2 TIP3 9258 52.055 17.075 54.560 1.00 0.00 WT1 H ATOM 26896 OH2 TIP3 9259 75.941 38.622 3.446 1.00 0.00 WT1 O ATOM 26897 H1 TIP3 9259 75.392 39.004 4.131 1.00 0.00 WT1 H ATOM 26898 H2 TIP3 9259 75.747 37.685 3.476 1.00 0.00 WT1 H ATOM 26899 OH2 TIP3 9260 50.285 15.817 26.031 1.00 0.00 WT1 O ATOM 26900 H1 TIP3 9260 50.555 16.735 26.034 1.00 0.00 WT1 H ATOM 26901 H2 TIP3 9260 49.427 15.820 25.606 1.00 0.00 WT1 H ATOM 26902 OH2 TIP3 9261 68.160 76.700 -13.177 1.00 0.00 WT1 O ATOM 26903 H1 TIP3 9261 68.728 77.426 -13.436 1.00 0.00 WT1 H ATOM 26904 H2 TIP3 9261 68.612 75.917 -13.491 1.00 0.00 WT1 H ATOM 26905 OH2 TIP3 2 57.161 66.966 -11.756 1.00 0.00 WT2 O ATOM 26906 H1 TIP3 2 56.754 67.351 -10.979 1.00 0.00 WT2 H ATOM 26907 H2 TIP3 2 58.080 66.852 -11.514 1.00 0.00 WT2 H ATOM 26908 OH2 TIP3 3 66.365 85.431 56.216 1.00 0.00 WT2 O ATOM 26909 H1 TIP3 3 66.862 86.186 56.530 1.00 0.00 WT2 H ATOM 26910 H2 TIP3 3 66.442 84.784 56.918 1.00 0.00 WT2 H ATOM 26911 OH2 TIP3 4 57.108 5.292 58.940 1.00 0.00 WT2 O ATOM 26912 H1 TIP3 4 57.625 4.894 59.640 1.00 0.00 WT2 H ATOM 26913 H2 TIP3 4 57.108 4.638 58.240 1.00 0.00 WT2 H ATOM 26914 OH2 TIP3 5 71.145 64.888 63.564 1.00 0.00 WT2 O ATOM 26915 H1 TIP3 5 71.284 64.809 64.508 1.00 0.00 WT2 H ATOM 26916 H2 TIP3 5 71.971 64.602 63.175 1.00 0.00 WT2 H ATOM 26917 OH2 TIP3 7 28.787 82.892 0.619 1.00 0.00 WT2 O ATOM 26918 H1 TIP3 7 28.546 82.105 1.107 1.00 0.00 WT2 H ATOM 26919 H2 TIP3 7 29.640 82.686 0.237 1.00 0.00 WT2 H ATOM 26920 OH2 TIP3 9 88.037 24.902 11.651 1.00 0.00 WT2 O ATOM 26921 H1 TIP3 9 88.692 24.662 10.996 1.00 0.00 WT2 H ATOM 26922 H2 TIP3 9 87.741 24.066 12.012 1.00 0.00 WT2 H ATOM 26923 OH2 TIP3 11 79.975 40.659 40.752 1.00 0.00 WT2 O ATOM 26924 H1 TIP3 11 80.365 39.843 41.067 1.00 0.00 WT2 H ATOM 26925 H2 TIP3 11 79.565 40.423 39.920 1.00 0.00 WT2 H ATOM 26926 OH2 TIP3 21 90.396 45.238 59.584 1.00 0.00 WT2 O ATOM 26927 H1 TIP3 21 89.498 45.217 59.915 1.00 0.00 WT2 H ATOM 26928 H2 TIP3 21 90.919 45.540 60.327 1.00 0.00 WT2 H ATOM 26929 OH2 TIP3 22 37.840 41.558 -10.090 1.00 0.00 WT2 O ATOM 26930 H1 TIP3 22 37.705 41.174 -10.956 1.00 0.00 WT2 H ATOM 26931 H2 TIP3 22 37.514 40.896 -9.480 1.00 0.00 WT2 H ATOM 26932 OH2 TIP3 23 41.269 45.076 58.231 1.00 0.00 WT2 O ATOM 26933 H1 TIP3 23 40.800 44.273 58.459 1.00 0.00 WT2 H ATOM 26934 H2 TIP3 23 42.132 44.778 57.944 1.00 0.00 WT2 H ATOM 26935 OH2 TIP3 24 76.005 3.975 42.307 1.00 0.00 WT2 O ATOM 26936 H1 TIP3 24 75.603 4.795 42.594 1.00 0.00 WT2 H ATOM 26937 H2 TIP3 24 76.568 4.227 41.575 1.00 0.00 WT2 H ATOM 26938 OH2 TIP3 25 20.729 83.874 50.712 1.00 0.00 WT2 O ATOM 26939 H1 TIP3 25 20.732 84.829 50.652 1.00 0.00 WT2 H ATOM 26940 H2 TIP3 25 20.553 83.577 49.819 1.00 0.00 WT2 H ATOM 26941 OH2 TIP3 27 81.667 22.172 34.208 1.00 0.00 WT2 O ATOM 26942 H1 TIP3 27 82.000 21.741 33.420 1.00 0.00 WT2 H ATOM 26943 H2 TIP3 27 82.412 22.181 34.809 1.00 0.00 WT2 H ATOM 26944 OH2 TIP3 28 35.300 42.588 -6.269 1.00 0.00 WT2 O ATOM 26945 H1 TIP3 28 35.583 43.463 -6.537 1.00 0.00 WT2 H ATOM 26946 H2 TIP3 28 34.673 42.322 -6.942 1.00 0.00 WT2 H ATOM 26947 OH2 TIP3 29 43.480 61.113 -7.110 1.00 0.00 WT2 O ATOM 26948 H1 TIP3 29 43.253 61.822 -6.509 1.00 0.00 WT2 H ATOM 26949 H2 TIP3 29 44.379 60.880 -6.879 1.00 0.00 WT2 H ATOM 26950 OH2 TIP3 31 32.931 52.720 52.085 1.00 0.00 WT2 O ATOM 26951 H1 TIP3 31 32.883 51.791 52.311 1.00 0.00 WT2 H ATOM 26952 H2 TIP3 31 32.060 52.931 51.749 1.00 0.00 WT2 H ATOM 26953 OH2 TIP3 36 29.379 67.487 25.888 1.00 0.00 WT2 O ATOM 26954 H1 TIP3 36 30.222 67.059 25.740 1.00 0.00 WT2 H ATOM 26955 H2 TIP3 36 29.426 68.295 25.377 1.00 0.00 WT2 H ATOM 26956 OH2 TIP3 40 35.574 26.185 55.507 1.00 0.00 WT2 O ATOM 26957 H1 TIP3 40 34.689 25.905 55.272 1.00 0.00 WT2 H ATOM 26958 H2 TIP3 40 36.147 25.680 54.930 1.00 0.00 WT2 H ATOM 26959 OH2 TIP3 43 25.173 88.562 17.654 1.00 0.00 WT2 O ATOM 26960 H1 TIP3 43 25.154 87.605 17.663 1.00 0.00 WT2 H ATOM 26961 H2 TIP3 43 25.205 88.792 16.726 1.00 0.00 WT2 H ATOM 26962 OH2 TIP3 44 74.815 39.134 52.813 1.00 0.00 WT2 O ATOM 26963 H1 TIP3 44 74.879 38.185 52.703 1.00 0.00 WT2 H ATOM 26964 H2 TIP3 44 74.153 39.253 53.494 1.00 0.00 WT2 H ATOM 26965 OH2 TIP3 46 89.566 71.342 39.475 1.00 0.00 WT2 O ATOM 26966 H1 TIP3 46 90.136 71.302 38.707 1.00 0.00 WT2 H ATOM 26967 H2 TIP3 46 89.990 70.775 40.118 1.00 0.00 WT2 H ATOM 26968 OH2 TIP3 47 26.048 80.124 26.512 1.00 0.00 WT2 O ATOM 26969 H1 TIP3 47 26.487 79.274 26.551 1.00 0.00 WT2 H ATOM 26970 H2 TIP3 47 25.131 79.930 26.704 1.00 0.00 WT2 H ATOM 26971 OH2 TIP3 50 52.451 88.017 47.068 1.00 0.00 WT2 O ATOM 26972 H1 TIP3 50 52.326 88.885 47.453 1.00 0.00 WT2 H ATOM 26973 H2 TIP3 50 52.837 88.188 46.209 1.00 0.00 WT2 H ATOM 26974 OH2 TIP3 64 58.313 52.238 2.996 1.00 0.00 WT2 O ATOM 26975 H1 TIP3 64 58.474 53.113 3.350 1.00 0.00 WT2 H ATOM 26976 H2 TIP3 64 58.898 51.667 3.493 1.00 0.00 WT2 H ATOM 26977 OH2 TIP3 65 88.006 33.277 -5.421 1.00 0.00 WT2 O ATOM 26978 H1 TIP3 65 87.187 32.886 -5.726 1.00 0.00 WT2 H ATOM 26979 H2 TIP3 65 88.313 32.685 -4.734 1.00 0.00 WT2 H ATOM 26980 OH2 TIP3 66 37.515 32.357 65.344 1.00 0.00 WT2 O ATOM 26981 H1 TIP3 66 36.818 31.706 65.268 1.00 0.00 WT2 H ATOM 26982 H2 TIP3 66 37.732 32.369 66.276 1.00 0.00 WT2 H ATOM 26983 OH2 TIP3 67 47.586 22.568 -7.081 1.00 0.00 WT2 O ATOM 26984 H1 TIP3 67 48.074 22.698 -6.268 1.00 0.00 WT2 H ATOM 26985 H2 TIP3 67 48.069 21.886 -7.546 1.00 0.00 WT2 H ATOM 26986 OH2 TIP3 68 34.815 61.680 -10.188 1.00 0.00 WT2 O ATOM 26987 H1 TIP3 68 34.982 60.741 -10.111 1.00 0.00 WT2 H ATOM 26988 H2 TIP3 68 33.996 61.818 -9.713 1.00 0.00 WT2 H ATOM 26989 OH2 TIP3 69 34.816 47.515 12.261 1.00 0.00 WT2 O ATOM 26990 H1 TIP3 69 34.688 48.345 12.720 1.00 0.00 WT2 H ATOM 26991 H2 TIP3 69 35.325 46.980 12.870 1.00 0.00 WT2 H ATOM 26992 OH2 TIP3 70 37.722 68.563 -11.928 1.00 0.00 WT2 O ATOM 26993 H1 TIP3 70 37.053 67.885 -12.019 1.00 0.00 WT2 H ATOM 26994 H2 TIP3 70 38.174 68.345 -11.113 1.00 0.00 WT2 H ATOM 26995 OH2 TIP3 72 75.120 90.537 -18.583 1.00 0.00 WT2 O ATOM 26996 H1 TIP3 72 75.961 90.848 -18.247 1.00 0.00 WT2 H ATOM 26997 H2 TIP3 72 74.860 91.197 -19.225 1.00 0.00 WT2 H ATOM 26998 OH2 TIP3 73 45.894 58.839 50.337 1.00 0.00 WT2 O ATOM 26999 H1 TIP3 73 45.915 58.883 49.381 1.00 0.00 WT2 H ATOM 27000 H2 TIP3 73 46.129 57.934 50.541 1.00 0.00 WT2 H ATOM 27001 OH2 TIP3 83 71.483 84.677 36.786 1.00 0.00 WT2 O ATOM 27002 H1 TIP3 83 71.659 85.156 37.596 1.00 0.00 WT2 H ATOM 27003 H2 TIP3 83 72.297 84.742 36.287 1.00 0.00 WT2 H ATOM 27004 OH2 TIP3 85 31.285 39.698 35.933 1.00 0.00 WT2 O ATOM 27005 H1 TIP3 85 32.024 39.651 36.540 1.00 0.00 WT2 H ATOM 27006 H2 TIP3 85 31.682 39.910 35.088 1.00 0.00 WT2 H ATOM 27007 OH2 TIP3 86 38.639 50.349 -8.995 1.00 0.00 WT2 O ATOM 27008 H1 TIP3 86 38.188 50.330 -8.151 1.00 0.00 WT2 H ATOM 27009 H2 TIP3 86 38.495 51.236 -9.324 1.00 0.00 WT2 H ATOM 27010 OH2 TIP3 87 59.790 4.007 45.119 1.00 0.00 WT2 O ATOM 27011 H1 TIP3 87 60.625 3.540 45.078 1.00 0.00 WT2 H ATOM 27012 H2 TIP3 87 59.421 3.765 45.969 1.00 0.00 WT2 H ATOM 27013 OH2 TIP3 88 63.073 51.121 -11.730 1.00 0.00 WT2 O ATOM 27014 H1 TIP3 88 63.172 50.511 -10.999 1.00 0.00 WT2 H ATOM 27015 H2 TIP3 88 63.133 51.988 -11.329 1.00 0.00 WT2 H ATOM 27016 OH2 TIP3 90 60.799 95.180 43.757 1.00 0.00 WT2 O ATOM 27017 H1 TIP3 90 60.171 94.473 43.609 1.00 0.00 WT2 H ATOM 27018 H2 TIP3 90 61.063 95.454 42.878 1.00 0.00 WT2 H ATOM 27019 OH2 TIP3 91 59.300 38.573 46.594 1.00 0.00 WT2 O ATOM 27020 H1 TIP3 91 59.097 37.916 45.927 1.00 0.00 WT2 H ATOM 27021 H2 TIP3 91 59.034 39.404 46.201 1.00 0.00 WT2 H ATOM 27022 OH2 TIP3 93 69.445 18.900 56.418 1.00 0.00 WT2 O ATOM 27023 H1 TIP3 93 69.978 19.568 55.986 1.00 0.00 WT2 H ATOM 27024 H2 TIP3 93 68.919 18.521 55.714 1.00 0.00 WT2 H ATOM 27025 OH2 TIP3 107 28.229 38.396 8.986 1.00 0.00 WT2 O ATOM 27026 H1 TIP3 107 28.170 38.445 9.940 1.00 0.00 WT2 H ATOM 27027 H2 TIP3 107 28.137 39.303 8.693 1.00 0.00 WT2 H ATOM 27028 OH2 TIP3 108 31.142 64.584 24.254 1.00 0.00 WT2 O ATOM 27029 H1 TIP3 108 30.600 64.043 24.828 1.00 0.00 WT2 H ATOM 27030 H2 TIP3 108 32.041 64.323 24.456 1.00 0.00 WT2 H ATOM 27031 OH2 TIP3 109 59.246 5.599 61.253 1.00 0.00 WT2 O ATOM 27032 H1 TIP3 109 59.758 5.324 62.014 1.00 0.00 WT2 H ATOM 27033 H2 TIP3 109 59.567 5.052 60.537 1.00 0.00 WT2 H ATOM 27034 OH2 TIP3 110 27.624 36.381 -6.370 1.00 0.00 WT2 O ATOM 27035 H1 TIP3 110 28.324 37.023 -6.490 1.00 0.00 WT2 H ATOM 27036 H2 TIP3 110 27.550 35.944 -7.219 1.00 0.00 WT2 H ATOM 27037 OH2 TIP3 111 83.758 87.096 -2.688 1.00 0.00 WT2 O ATOM 27038 H1 TIP3 111 84.296 86.915 -1.917 1.00 0.00 WT2 H ATOM 27039 H2 TIP3 111 84.337 87.582 -3.276 1.00 0.00 WT2 H ATOM 27040 OH2 TIP3 112 30.577 96.519 8.011 1.00 0.00 WT2 O ATOM 27041 H1 TIP3 112 30.856 97.027 7.249 1.00 0.00 WT2 H ATOM 27042 H2 TIP3 112 31.248 95.843 8.108 1.00 0.00 WT2 H ATOM 27043 OH2 TIP3 113 48.323 6.159 25.523 1.00 0.00 WT2 O ATOM 27044 H1 TIP3 113 49.096 6.711 25.643 1.00 0.00 WT2 H ATOM 27045 H2 TIP3 113 48.507 5.658 24.729 1.00 0.00 WT2 H ATOM 27046 OH2 TIP3 114 27.811 81.320 -12.470 1.00 0.00 WT2 O ATOM 27047 H1 TIP3 114 28.533 81.611 -11.914 1.00 0.00 WT2 H ATOM 27048 H2 TIP3 114 28.002 81.698 -13.328 1.00 0.00 WT2 H ATOM 27049 OH2 TIP3 125 63.798 25.225 9.015 1.00 0.00 WT2 O ATOM 27050 H1 TIP3 125 64.353 24.746 8.399 1.00 0.00 WT2 H ATOM 27051 H2 TIP3 125 63.875 24.738 9.836 1.00 0.00 WT2 H ATOM 27052 OH2 TIP3 129 59.817 20.287 -0.086 1.00 0.00 WT2 O ATOM 27053 H1 TIP3 129 58.991 20.234 0.395 1.00 0.00 WT2 H ATOM 27054 H2 TIP3 129 60.296 21.000 0.336 1.00 0.00 WT2 H ATOM 27055 OH2 TIP3 130 80.190 19.699 35.629 1.00 0.00 WT2 O ATOM 27056 H1 TIP3 130 80.772 19.057 36.035 1.00 0.00 WT2 H ATOM 27057 H2 TIP3 130 80.775 20.387 35.311 1.00 0.00 WT2 H ATOM 27058 OH2 TIP3 132 75.742 52.188 -19.912 1.00 0.00 WT2 O ATOM 27059 H1 TIP3 132 75.676 51.875 -19.010 1.00 0.00 WT2 H ATOM 27060 H2 TIP3 132 74.938 52.687 -20.053 1.00 0.00 WT2 H ATOM 27061 OH2 TIP3 133 74.427 5.054 -5.362 1.00 0.00 WT2 O ATOM 27062 H1 TIP3 133 74.398 6.000 -5.506 1.00 0.00 WT2 H ATOM 27063 H2 TIP3 133 75.263 4.781 -5.739 1.00 0.00 WT2 H ATOM 27064 OH2 TIP3 144 43.356 29.279 37.151 1.00 0.00 WT2 O ATOM 27065 H1 TIP3 144 43.473 29.993 36.524 1.00 0.00 WT2 H ATOM 27066 H2 TIP3 144 43.833 29.563 37.930 1.00 0.00 WT2 H ATOM 27067 OH2 TIP3 145 73.475 16.233 -10.730 1.00 0.00 WT2 O ATOM 27068 H1 TIP3 145 73.658 17.172 -10.701 1.00 0.00 WT2 H ATOM 27069 H2 TIP3 145 72.590 16.172 -11.088 1.00 0.00 WT2 H ATOM 27070 OH2 TIP3 146 40.562 49.706 -13.604 1.00 0.00 WT2 O ATOM 27071 H1 TIP3 146 40.834 50.041 -12.750 1.00 0.00 WT2 H ATOM 27072 H2 TIP3 146 40.462 50.488 -14.147 1.00 0.00 WT2 H ATOM 27073 OH2 TIP3 149 46.082 62.486 -13.395 1.00 0.00 WT2 O ATOM 27074 H1 TIP3 149 46.345 62.218 -12.515 1.00 0.00 WT2 H ATOM 27075 H2 TIP3 149 45.133 62.360 -13.411 1.00 0.00 WT2 H ATOM 27076 OH2 TIP3 150 20.472 21.135 52.720 1.00 0.00 WT2 O ATOM 27077 H1 TIP3 150 21.163 20.492 52.882 1.00 0.00 WT2 H ATOM 27078 H2 TIP3 150 19.943 20.749 52.022 1.00 0.00 WT2 H ATOM 27079 OH2 TIP3 151 39.212 42.617 7.572 1.00 0.00 WT2 O ATOM 27080 H1 TIP3 151 38.646 42.976 8.255 1.00 0.00 WT2 H ATOM 27081 H2 TIP3 151 40.101 42.811 7.871 1.00 0.00 WT2 H ATOM 27082 OH2 TIP3 152 58.557 41.708 37.804 1.00 0.00 WT2 O ATOM 27083 H1 TIP3 152 58.286 42.546 37.429 1.00 0.00 WT2 H ATOM 27084 H2 TIP3 152 59.513 41.745 37.806 1.00 0.00 WT2 H ATOM 27085 OH2 TIP3 154 80.468 11.903 -12.347 1.00 0.00 WT2 O ATOM 27086 H1 TIP3 154 80.985 11.979 -13.149 1.00 0.00 WT2 H ATOM 27087 H2 TIP3 154 81.065 11.507 -11.712 1.00 0.00 WT2 H ATOM 27088 OH2 TIP3 167 22.079 91.270 23.860 1.00 0.00 WT2 O ATOM 27089 H1 TIP3 167 21.371 90.626 23.882 1.00 0.00 WT2 H ATOM 27090 H2 TIP3 167 21.738 92.019 24.347 1.00 0.00 WT2 H ATOM 27091 OH2 TIP3 170 68.103 15.093 41.095 1.00 0.00 WT2 O ATOM 27092 H1 TIP3 170 68.345 15.052 40.170 1.00 0.00 WT2 H ATOM 27093 H2 TIP3 170 67.434 14.416 41.199 1.00 0.00 WT2 H ATOM 27094 OH2 TIP3 171 74.370 48.032 62.711 1.00 0.00 WT2 O ATOM 27095 H1 TIP3 171 73.955 48.459 61.961 1.00 0.00 WT2 H ATOM 27096 H2 TIP3 171 73.750 48.155 63.430 1.00 0.00 WT2 H ATOM 27097 OH2 TIP3 173 88.179 50.203 48.246 1.00 0.00 WT2 O ATOM 27098 H1 TIP3 173 87.744 49.351 48.247 1.00 0.00 WT2 H ATOM 27099 H2 TIP3 173 88.825 50.142 47.542 1.00 0.00 WT2 H ATOM 27100 OH2 TIP3 174 29.856 56.982 -19.843 1.00 0.00 WT2 O ATOM 27101 H1 TIP3 174 30.253 57.293 -19.030 1.00 0.00 WT2 H ATOM 27102 H2 TIP3 174 30.551 56.486 -20.276 1.00 0.00 WT2 H ATOM 27103 OH2 TIP3 178 75.568 76.506 -11.968 1.00 0.00 WT2 O ATOM 27104 H1 TIP3 178 75.535 77.236 -11.350 1.00 0.00 WT2 H ATOM 27105 H2 TIP3 178 74.673 76.165 -11.984 1.00 0.00 WT2 H ATOM 27106 OH2 TIP3 189 36.751 16.294 63.173 1.00 0.00 WT2 O ATOM 27107 H1 TIP3 189 37.135 15.421 63.248 1.00 0.00 WT2 H ATOM 27108 H2 TIP3 189 36.484 16.362 62.256 1.00 0.00 WT2 H ATOM 27109 OH2 TIP3 190 31.362 53.034 -18.649 1.00 0.00 WT2 O ATOM 27110 H1 TIP3 190 30.993 53.074 -17.766 1.00 0.00 WT2 H ATOM 27111 H2 TIP3 190 32.053 52.375 -18.590 1.00 0.00 WT2 H ATOM 27112 OH2 TIP3 191 44.999 66.976 -3.714 1.00 0.00 WT2 O ATOM 27113 H1 TIP3 191 45.522 67.644 -3.271 1.00 0.00 WT2 H ATOM 27114 H2 TIP3 191 44.648 66.437 -3.005 1.00 0.00 WT2 H ATOM 27115 OH2 TIP3 192 28.587 25.087 58.639 1.00 0.00 WT2 O ATOM 27116 H1 TIP3 192 29.052 25.528 57.928 1.00 0.00 WT2 H ATOM 27117 H2 TIP3 192 28.544 25.739 59.338 1.00 0.00 WT2 H ATOM 27118 OH2 TIP3 193 75.724 31.815 11.436 1.00 0.00 WT2 O ATOM 27119 H1 TIP3 193 74.872 32.215 11.263 1.00 0.00 WT2 H ATOM 27120 H2 TIP3 193 75.792 31.799 12.391 1.00 0.00 WT2 H ATOM 27121 OH2 TIP3 195 83.128 21.404 -5.366 1.00 0.00 WT2 O ATOM 27122 H1 TIP3 195 82.981 20.864 -6.142 1.00 0.00 WT2 H ATOM 27123 H2 TIP3 195 82.990 22.301 -5.668 1.00 0.00 WT2 H ATOM 27124 OH2 TIP3 196 90.071 90.860 1.924 1.00 0.00 WT2 O ATOM 27125 H1 TIP3 196 89.819 91.297 2.738 1.00 0.00 WT2 H ATOM 27126 H2 TIP3 196 90.431 90.019 2.204 1.00 0.00 WT2 H ATOM 27127 OH2 TIP3 199 34.721 63.478 -3.342 1.00 0.00 WT2 O ATOM 27128 H1 TIP3 199 34.098 62.833 -3.677 1.00 0.00 WT2 H ATOM 27129 H2 TIP3 199 34.454 64.302 -3.749 1.00 0.00 WT2 H ATOM 27130 OH2 TIP3 212 25.826 25.261 43.725 1.00 0.00 WT2 O ATOM 27131 H1 TIP3 212 26.508 25.779 44.154 1.00 0.00 WT2 H ATOM 27132 H2 TIP3 212 26.089 25.233 42.805 1.00 0.00 WT2 H ATOM 27133 OH2 TIP3 214 39.577 27.801 30.747 1.00 0.00 WT2 O ATOM 27134 H1 TIP3 214 39.504 27.792 31.701 1.00 0.00 WT2 H ATOM 27135 H2 TIP3 214 39.767 28.713 30.528 1.00 0.00 WT2 H ATOM 27136 OH2 TIP3 217 69.917 50.354 -2.162 1.00 0.00 WT2 O ATOM 27137 H1 TIP3 217 69.490 50.910 -2.814 1.00 0.00 WT2 H ATOM 27138 H2 TIP3 217 69.432 49.529 -2.195 1.00 0.00 WT2 H ATOM 27139 OH2 TIP3 233 60.181 30.899 17.498 1.00 0.00 WT2 O ATOM 27140 H1 TIP3 233 59.401 30.872 16.943 1.00 0.00 WT2 H ATOM 27141 H2 TIP3 233 59.839 30.899 18.392 1.00 0.00 WT2 H ATOM 27142 OH2 TIP3 235 29.365 2.879 14.496 1.00 0.00 WT2 O ATOM 27143 H1 TIP3 235 29.646 3.785 14.368 1.00 0.00 WT2 H ATOM 27144 H2 TIP3 235 29.985 2.523 15.132 1.00 0.00 WT2 H ATOM 27145 OH2 TIP3 236 24.555 72.751 4.748 1.00 0.00 WT2 O ATOM 27146 H1 TIP3 236 24.748 73.339 5.477 1.00 0.00 WT2 H ATOM 27147 H2 TIP3 236 24.464 73.329 3.990 1.00 0.00 WT2 H ATOM 27148 OH2 TIP3 237 65.300 17.425 66.797 1.00 0.00 WT2 O ATOM 27149 H1 TIP3 237 64.533 16.896 66.577 1.00 0.00 WT2 H ATOM 27150 H2 TIP3 237 65.549 17.841 65.972 1.00 0.00 WT2 H ATOM 27151 OH2 TIP3 239 24.650 25.023 59.974 1.00 0.00 WT2 O ATOM 27152 H1 TIP3 239 24.107 24.746 60.713 1.00 0.00 WT2 H ATOM 27153 H2 TIP3 239 24.654 25.978 60.025 1.00 0.00 WT2 H ATOM 27154 OH2 TIP3 244 70.643 27.881 0.783 1.00 0.00 WT2 O ATOM 27155 H1 TIP3 244 70.636 27.320 0.008 1.00 0.00 WT2 H ATOM 27156 H2 TIP3 244 71.198 27.417 1.410 1.00 0.00 WT2 H ATOM 27157 OH2 TIP3 252 48.884 86.914 44.484 1.00 0.00 WT2 O ATOM 27158 H1 TIP3 252 48.678 86.142 43.957 1.00 0.00 WT2 H ATOM 27159 H2 TIP3 252 48.432 86.765 45.315 1.00 0.00 WT2 H ATOM 27160 OH2 TIP3 253 40.258 47.550 -18.896 1.00 0.00 WT2 O ATOM 27161 H1 TIP3 253 40.746 47.055 -18.239 1.00 0.00 WT2 H ATOM 27162 H2 TIP3 253 40.932 47.974 -19.427 1.00 0.00 WT2 H ATOM 27163 OH2 TIP3 255 76.230 57.536 66.508 1.00 0.00 WT2 O ATOM 27164 H1 TIP3 255 77.081 57.901 66.753 1.00 0.00 WT2 H ATOM 27165 H2 TIP3 255 76.376 56.591 66.473 1.00 0.00 WT2 H ATOM 27166 OH2 TIP3 256 72.454 86.571 -18.571 1.00 0.00 WT2 O ATOM 27167 H1 TIP3 256 72.250 86.709 -17.646 1.00 0.00 WT2 H ATOM 27168 H2 TIP3 256 72.530 87.454 -18.934 1.00 0.00 WT2 H ATOM 27169 OH2 TIP3 257 30.201 92.098 6.181 1.00 0.00 WT2 O ATOM 27170 H1 TIP3 257 29.396 91.590 6.280 1.00 0.00 WT2 H ATOM 27171 H2 TIP3 257 30.576 92.126 7.061 1.00 0.00 WT2 H ATOM 27172 OH2 TIP3 258 64.447 61.239 -4.011 1.00 0.00 WT2 O ATOM 27173 H1 TIP3 258 63.776 60.559 -3.945 1.00 0.00 WT2 H ATOM 27174 H2 TIP3 258 64.661 61.454 -3.103 1.00 0.00 WT2 H ATOM 27175 OH2 TIP3 260 83.720 23.034 -1.949 1.00 0.00 WT2 O ATOM 27176 H1 TIP3 260 83.796 22.730 -1.045 1.00 0.00 WT2 H ATOM 27177 H2 TIP3 260 83.807 23.985 -1.891 1.00 0.00 WT2 H ATOM 27178 OH2 TIP3 262 77.254 87.356 37.197 1.00 0.00 WT2 O ATOM 27179 H1 TIP3 262 76.845 87.772 36.438 1.00 0.00 WT2 H ATOM 27180 H2 TIP3 262 76.925 87.850 37.947 1.00 0.00 WT2 H ATOM 27181 OH2 TIP3 273 78.507 15.642 -14.122 1.00 0.00 WT2 O ATOM 27182 H1 TIP3 273 77.876 15.281 -14.745 1.00 0.00 WT2 H ATOM 27183 H2 TIP3 273 78.136 16.487 -13.867 1.00 0.00 WT2 H ATOM 27184 OH2 TIP3 278 74.303 49.740 36.207 1.00 0.00 WT2 O ATOM 27185 H1 TIP3 278 74.253 50.571 36.679 1.00 0.00 WT2 H ATOM 27186 H2 TIP3 278 73.489 49.700 35.705 1.00 0.00 WT2 H ATOM 27187 OH2 TIP3 279 57.514 9.585 -8.089 1.00 0.00 WT2 O ATOM 27188 H1 TIP3 279 56.641 9.369 -8.416 1.00 0.00 WT2 H ATOM 27189 H2 TIP3 279 57.994 8.757 -8.122 1.00 0.00 WT2 H ATOM 27190 OH2 TIP3 280 66.658 34.008 12.646 1.00 0.00 WT2 O ATOM 27191 H1 TIP3 280 66.963 34.406 13.461 1.00 0.00 WT2 H ATOM 27192 H2 TIP3 280 65.704 34.072 12.690 1.00 0.00 WT2 H ATOM 27193 OH2 TIP3 295 51.450 3.367 65.318 1.00 0.00 WT2 O ATOM 27194 H1 TIP3 295 50.904 3.971 64.814 1.00 0.00 WT2 H ATOM 27195 H2 TIP3 295 50.891 3.087 66.043 1.00 0.00 WT2 H ATOM 27196 OH2 TIP3 296 26.658 52.066 53.700 1.00 0.00 WT2 O ATOM 27197 H1 TIP3 296 25.752 52.326 53.530 1.00 0.00 WT2 H ATOM 27198 H2 TIP3 296 26.955 52.665 54.385 1.00 0.00 WT2 H ATOM 27199 OH2 TIP3 297 80.420 17.813 -2.745 1.00 0.00 WT2 O ATOM 27200 H1 TIP3 297 80.422 16.857 -2.716 1.00 0.00 WT2 H ATOM 27201 H2 TIP3 297 80.154 18.080 -1.865 1.00 0.00 WT2 H ATOM 27202 OH2 TIP3 299 76.149 29.183 1.160 1.00 0.00 WT2 O ATOM 27203 H1 TIP3 299 75.794 28.758 0.380 1.00 0.00 WT2 H ATOM 27204 H2 TIP3 299 75.467 29.075 1.823 1.00 0.00 WT2 H ATOM 27205 OH2 TIP3 300 82.235 40.767 29.567 1.00 0.00 WT2 O ATOM 27206 H1 TIP3 300 81.952 40.470 28.702 1.00 0.00 WT2 H ATOM 27207 H2 TIP3 300 81.773 41.596 29.698 1.00 0.00 WT2 H ATOM 27208 OH2 TIP3 301 36.567 16.448 -12.651 1.00 0.00 WT2 O ATOM 27209 H1 TIP3 301 35.854 16.026 -12.171 1.00 0.00 WT2 H ATOM 27210 H2 TIP3 301 36.830 17.180 -12.094 1.00 0.00 WT2 H ATOM 27211 OH2 TIP3 302 25.021 21.415 41.850 1.00 0.00 WT2 O ATOM 27212 H1 TIP3 302 25.814 21.248 41.341 1.00 0.00 WT2 H ATOM 27213 H2 TIP3 302 24.386 21.730 41.207 1.00 0.00 WT2 H ATOM 27214 OH2 TIP3 303 85.888 43.700 42.927 1.00 0.00 WT2 O ATOM 27215 H1 TIP3 303 85.896 43.083 43.659 1.00 0.00 WT2 H ATOM 27216 H2 TIP3 303 86.786 43.692 42.597 1.00 0.00 WT2 H ATOM 27217 OH2 TIP3 315 29.460 32.160 27.515 1.00 0.00 WT2 O ATOM 27218 H1 TIP3 315 28.548 31.925 27.686 1.00 0.00 WT2 H ATOM 27219 H2 TIP3 315 29.767 31.496 26.898 1.00 0.00 WT2 H ATOM 27220 OH2 TIP3 316 78.581 37.006 2.094 1.00 0.00 WT2 O ATOM 27221 H1 TIP3 316 78.360 36.078 2.177 1.00 0.00 WT2 H ATOM 27222 H2 TIP3 316 79.374 37.112 2.620 1.00 0.00 WT2 H ATOM 27223 OH2 TIP3 317 47.551 55.758 -4.334 1.00 0.00 WT2 O ATOM 27224 H1 TIP3 317 48.485 55.951 -4.411 1.00 0.00 WT2 H ATOM 27225 H2 TIP3 317 47.505 55.047 -3.695 1.00 0.00 WT2 H ATOM 27226 OH2 TIP3 319 22.971 86.503 4.400 1.00 0.00 WT2 O ATOM 27227 H1 TIP3 319 22.511 87.154 4.930 1.00 0.00 WT2 H ATOM 27228 H2 TIP3 319 22.582 86.583 3.530 1.00 0.00 WT2 H ATOM 27229 OH2 TIP3 320 60.886 25.517 11.787 1.00 0.00 WT2 O ATOM 27230 H1 TIP3 320 60.380 24.890 11.269 1.00 0.00 WT2 H ATOM 27231 H2 TIP3 320 61.534 24.982 12.245 1.00 0.00 WT2 H ATOM 27232 OH2 TIP3 321 81.887 68.607 -16.645 1.00 0.00 WT2 O ATOM 27233 H1 TIP3 321 81.418 69.154 -17.275 1.00 0.00 WT2 H ATOM 27234 H2 TIP3 321 81.200 68.118 -16.194 1.00 0.00 WT2 H ATOM 27235 OH2 TIP3 322 37.803 14.659 66.273 1.00 0.00 WT2 O ATOM 27236 H1 TIP3 322 36.876 14.437 66.194 1.00 0.00 WT2 H ATOM 27237 H2 TIP3 322 38.070 14.283 67.112 1.00 0.00 WT2 H ATOM 27238 OH2 TIP3 334 74.368 38.524 61.357 1.00 0.00 WT2 O ATOM 27239 H1 TIP3 334 73.544 38.121 61.084 1.00 0.00 WT2 H ATOM 27240 H2 TIP3 334 74.448 38.303 62.285 1.00 0.00 WT2 H ATOM 27241 OH2 TIP3 335 72.141 44.437 54.660 1.00 0.00 WT2 O ATOM 27242 H1 TIP3 335 72.449 43.557 54.443 1.00 0.00 WT2 H ATOM 27243 H2 TIP3 335 72.079 44.884 53.815 1.00 0.00 WT2 H ATOM 27244 OH2 TIP3 337 49.923 42.941 10.271 1.00 0.00 WT2 O ATOM 27245 H1 TIP3 337 49.305 42.417 10.780 1.00 0.00 WT2 H ATOM 27246 H2 TIP3 337 50.096 43.707 10.818 1.00 0.00 WT2 H ATOM 27247 OH2 TIP3 338 66.508 8.873 27.240 1.00 0.00 WT2 O ATOM 27248 H1 TIP3 338 67.401 8.603 27.026 1.00 0.00 WT2 H ATOM 27249 H2 TIP3 338 65.980 8.085 27.105 1.00 0.00 WT2 H ATOM 27250 OH2 TIP3 339 31.066 52.631 48.248 1.00 0.00 WT2 O ATOM 27251 H1 TIP3 339 31.250 53.490 47.867 1.00 0.00 WT2 H ATOM 27252 H2 TIP3 339 30.832 52.817 49.158 1.00 0.00 WT2 H ATOM 27253 OH2 TIP3 340 55.044 86.857 -12.586 1.00 0.00 WT2 O ATOM 27254 H1 TIP3 340 54.736 86.235 -11.927 1.00 0.00 WT2 H ATOM 27255 H2 TIP3 340 55.305 87.629 -12.084 1.00 0.00 WT2 H ATOM 27256 OH2 TIP3 341 36.416 66.060 -12.253 1.00 0.00 WT2 O ATOM 27257 H1 TIP3 341 37.226 65.588 -12.062 1.00 0.00 WT2 H ATOM 27258 H2 TIP3 341 35.765 65.373 -12.397 1.00 0.00 WT2 H ATOM 27259 OH2 TIP3 344 38.885 14.957 -8.358 1.00 0.00 WT2 O ATOM 27260 H1 TIP3 344 38.003 14.639 -8.552 1.00 0.00 WT2 H ATOM 27261 H2 TIP3 344 39.327 14.209 -7.957 1.00 0.00 WT2 H ATOM 27262 OH2 TIP3 346 46.973 29.427 41.869 1.00 0.00 WT2 O ATOM 27263 H1 TIP3 346 46.744 30.043 42.565 1.00 0.00 WT2 H ATOM 27264 H2 TIP3 346 47.801 29.757 41.520 1.00 0.00 WT2 H ATOM 27265 OH2 TIP3 361 78.617 84.129 55.042 1.00 0.00 WT2 O ATOM 27266 H1 TIP3 361 78.571 83.183 55.181 1.00 0.00 WT2 H ATOM 27267 H2 TIP3 361 78.345 84.252 54.133 1.00 0.00 WT2 H ATOM 27268 OH2 TIP3 362 87.311 69.517 -16.966 1.00 0.00 WT2 O ATOM 27269 H1 TIP3 362 88.182 69.182 -16.755 1.00 0.00 WT2 H ATOM 27270 H2 TIP3 362 86.842 69.505 -16.132 1.00 0.00 WT2 H ATOM 27271 OH2 TIP3 364 63.636 73.109 45.201 1.00 0.00 WT2 O ATOM 27272 H1 TIP3 364 64.006 72.742 44.398 1.00 0.00 WT2 H ATOM 27273 H2 TIP3 364 63.298 73.965 44.939 1.00 0.00 WT2 H ATOM 27274 OH2 TIP3 375 70.687 14.920 53.074 1.00 0.00 WT2 O ATOM 27275 H1 TIP3 375 69.914 14.646 53.567 1.00 0.00 WT2 H ATOM 27276 H2 TIP3 375 70.591 14.495 52.221 1.00 0.00 WT2 H ATOM 27277 OH2 TIP3 378 33.637 35.314 11.792 1.00 0.00 WT2 O ATOM 27278 H1 TIP3 378 32.894 35.395 11.195 1.00 0.00 WT2 H ATOM 27279 H2 TIP3 378 33.245 35.084 12.634 1.00 0.00 WT2 H ATOM 27280 OH2 TIP3 381 74.339 54.705 36.961 1.00 0.00 WT2 O ATOM 27281 H1 TIP3 381 73.478 55.050 37.200 1.00 0.00 WT2 H ATOM 27282 H2 TIP3 381 74.441 54.933 36.037 1.00 0.00 WT2 H ATOM 27283 OH2 TIP3 383 48.149 42.906 44.951 1.00 0.00 WT2 O ATOM 27284 H1 TIP3 383 47.310 43.280 44.682 1.00 0.00 WT2 H ATOM 27285 H2 TIP3 383 48.658 42.851 44.143 1.00 0.00 WT2 H ATOM 27286 OH2 TIP3 384 26.398 26.466 5.129 1.00 0.00 WT2 O ATOM 27287 H1 TIP3 384 27.057 26.941 5.635 1.00 0.00 WT2 H ATOM 27288 H2 TIP3 384 25.668 26.348 5.737 1.00 0.00 WT2 H ATOM 27289 OH2 TIP3 385 41.117 50.601 49.435 1.00 0.00 WT2 O ATOM 27290 H1 TIP3 385 41.441 51.452 49.140 1.00 0.00 WT2 H ATOM 27291 H2 TIP3 385 41.830 50.242 49.964 1.00 0.00 WT2 H ATOM 27292 OH2 TIP3 387 40.216 61.695 59.779 1.00 0.00 WT2 O ATOM 27293 H1 TIP3 387 41.085 61.860 60.145 1.00 0.00 WT2 H ATOM 27294 H2 TIP3 387 40.362 61.029 59.107 1.00 0.00 WT2 H ATOM 27295 OH2 TIP3 392 49.607 57.481 -19.282 1.00 0.00 WT2 O ATOM 27296 H1 TIP3 392 48.991 57.321 -18.567 1.00 0.00 WT2 H ATOM 27297 H2 TIP3 392 49.368 58.345 -19.617 1.00 0.00 WT2 H ATOM 27298 OH2 TIP3 398 74.790 73.548 29.110 1.00 0.00 WT2 O ATOM 27299 H1 TIP3 398 74.919 72.739 29.605 1.00 0.00 WT2 H ATOM 27300 H2 TIP3 398 75.409 73.484 28.382 1.00 0.00 WT2 H ATOM 27301 OH2 TIP3 401 42.360 36.900 40.766 1.00 0.00 WT2 O ATOM 27302 H1 TIP3 401 42.822 36.765 39.938 1.00 0.00 WT2 H ATOM 27303 H2 TIP3 401 42.686 37.740 41.089 1.00 0.00 WT2 H ATOM 27304 OH2 TIP3 403 53.512 69.128 -11.181 1.00 0.00 WT2 O ATOM 27305 H1 TIP3 403 52.702 68.855 -10.750 1.00 0.00 WT2 H ATOM 27306 H2 TIP3 403 54.172 68.512 -10.866 1.00 0.00 WT2 H ATOM 27307 OH2 TIP3 404 50.078 96.104 42.167 1.00 0.00 WT2 O ATOM 27308 H1 TIP3 404 49.540 96.028 41.379 1.00 0.00 WT2 H ATOM 27309 H2 TIP3 404 50.642 95.331 42.149 1.00 0.00 WT2 H ATOM 27310 OH2 TIP3 406 20.397 60.718 -1.350 1.00 0.00 WT2 O ATOM 27311 H1 TIP3 406 20.529 61.550 -1.806 1.00 0.00 WT2 H ATOM 27312 H2 TIP3 406 20.960 60.099 -1.813 1.00 0.00 WT2 H ATOM 27313 OH2 TIP3 407 51.904 79.908 4.676 1.00 0.00 WT2 O ATOM 27314 H1 TIP3 407 52.399 79.091 4.727 1.00 0.00 WT2 H ATOM 27315 H2 TIP3 407 52.484 80.565 5.062 1.00 0.00 WT2 H ATOM 27316 OH2 TIP3 416 52.744 66.596 27.485 1.00 0.00 WT2 O ATOM 27317 H1 TIP3 416 52.098 66.148 28.031 1.00 0.00 WT2 H ATOM 27318 H2 TIP3 416 53.586 66.237 27.765 1.00 0.00 WT2 H ATOM 27319 OH2 TIP3 420 57.063 35.899 46.817 1.00 0.00 WT2 O ATOM 27320 H1 TIP3 420 57.134 36.615 46.185 1.00 0.00 WT2 H ATOM 27321 H2 TIP3 420 57.218 36.312 47.666 1.00 0.00 WT2 H ATOM 27322 OH2 TIP3 424 32.301 72.388 1.808 1.00 0.00 WT2 O ATOM 27323 H1 TIP3 424 32.467 71.462 1.984 1.00 0.00 WT2 H ATOM 27324 H2 TIP3 424 33.150 72.812 1.932 1.00 0.00 WT2 H ATOM 27325 OH2 TIP3 425 42.563 59.314 15.333 1.00 0.00 WT2 O ATOM 27326 H1 TIP3 425 43.228 59.994 15.221 1.00 0.00 WT2 H ATOM 27327 H2 TIP3 425 42.749 58.680 14.640 1.00 0.00 WT2 H ATOM 27328 OH2 TIP3 426 86.711 71.146 -13.599 1.00 0.00 WT2 O ATOM 27329 H1 TIP3 426 86.024 70.643 -14.037 1.00 0.00 WT2 H ATOM 27330 H2 TIP3 426 86.240 71.712 -12.988 1.00 0.00 WT2 H ATOM 27331 OH2 TIP3 427 32.984 17.298 -14.054 1.00 0.00 WT2 O ATOM 27332 H1 TIP3 427 32.044 17.461 -13.972 1.00 0.00 WT2 H ATOM 27333 H2 TIP3 427 33.108 16.422 -13.688 1.00 0.00 WT2 H ATOM 27334 OH2 TIP3 430 45.537 22.325 39.654 1.00 0.00 WT2 O ATOM 27335 H1 TIP3 430 45.349 23.210 39.966 1.00 0.00 WT2 H ATOM 27336 H2 TIP3 430 45.878 22.450 38.768 1.00 0.00 WT2 H ATOM 27337 OH2 TIP3 439 80.064 49.096 29.580 1.00 0.00 WT2 O ATOM 27338 H1 TIP3 439 79.563 49.745 29.087 1.00 0.00 WT2 H ATOM 27339 H2 TIP3 439 79.867 49.287 30.497 1.00 0.00 WT2 H ATOM 27340 OH2 TIP3 443 57.561 0.664 62.131 1.00 0.00 WT2 O ATOM 27341 H1 TIP3 443 58.464 0.913 61.936 1.00 0.00 WT2 H ATOM 27342 H2 TIP3 443 57.356 -0.018 61.491 1.00 0.00 WT2 H ATOM 27343 OH2 TIP3 444 61.817 47.439 42.709 1.00 0.00 WT2 O ATOM 27344 H1 TIP3 444 62.519 47.104 42.151 1.00 0.00 WT2 H ATOM 27345 H2 TIP3 444 61.909 48.391 42.663 1.00 0.00 WT2 H ATOM 27346 OH2 TIP3 445 68.486 59.806 41.729 1.00 0.00 WT2 O ATOM 27347 H1 TIP3 445 68.339 60.664 42.128 1.00 0.00 WT2 H ATOM 27348 H2 TIP3 445 67.679 59.623 41.249 1.00 0.00 WT2 H ATOM 27349 OH2 TIP3 446 68.368 6.713 56.286 1.00 0.00 WT2 O ATOM 27350 H1 TIP3 446 68.757 6.031 55.738 1.00 0.00 WT2 H ATOM 27351 H2 TIP3 446 68.852 7.507 56.061 1.00 0.00 WT2 H ATOM 27352 OH2 TIP3 447 77.582 95.193 39.375 1.00 0.00 WT2 O ATOM 27353 H1 TIP3 447 76.713 94.953 39.055 1.00 0.00 WT2 H ATOM 27354 H2 TIP3 447 78.037 94.358 39.485 1.00 0.00 WT2 H ATOM 27355 OH2 TIP3 450 42.979 70.175 1.907 1.00 0.00 WT2 O ATOM 27356 H1 TIP3 450 42.818 69.294 1.569 1.00 0.00 WT2 H ATOM 27357 H2 TIP3 450 43.788 70.094 2.413 1.00 0.00 WT2 H ATOM 27358 OH2 TIP3 460 73.878 33.752 -5.489 1.00 0.00 WT2 O ATOM 27359 H1 TIP3 460 74.270 34.349 -4.851 1.00 0.00 WT2 H ATOM 27360 H2 TIP3 460 73.711 32.949 -4.996 1.00 0.00 WT2 H ATOM 27361 OH2 TIP3 465 76.389 1.978 -18.050 1.00 0.00 WT2 O ATOM 27362 H1 TIP3 465 75.702 1.920 -18.714 1.00 0.00 WT2 H ATOM 27363 H2 TIP3 465 76.714 2.876 -18.118 1.00 0.00 WT2 H ATOM 27364 OH2 TIP3 466 38.736 66.247 9.571 1.00 0.00 WT2 O ATOM 27365 H1 TIP3 466 39.231 66.972 9.953 1.00 0.00 WT2 H ATOM 27366 H2 TIP3 466 38.923 65.501 10.141 1.00 0.00 WT2 H ATOM 27367 OH2 TIP3 467 56.589 36.914 -3.722 1.00 0.00 WT2 O ATOM 27368 H1 TIP3 467 56.750 37.725 -4.204 1.00 0.00 WT2 H ATOM 27369 H2 TIP3 467 55.910 37.141 -3.088 1.00 0.00 WT2 H ATOM 27370 OH2 TIP3 468 37.269 65.932 26.367 1.00 0.00 WT2 O ATOM 27371 H1 TIP3 468 37.584 65.032 26.284 1.00 0.00 WT2 H ATOM 27372 H2 TIP3 468 37.922 66.365 26.917 1.00 0.00 WT2 H ATOM 27373 OH2 TIP3 469 23.713 71.664 48.815 1.00 0.00 WT2 O ATOM 27374 H1 TIP3 469 22.896 71.202 48.999 1.00 0.00 WT2 H ATOM 27375 H2 TIP3 469 24.113 71.170 48.100 1.00 0.00 WT2 H ATOM 27376 OH2 TIP3 470 49.836 69.545 -9.345 1.00 0.00 WT2 O ATOM 27377 H1 TIP3 470 50.122 68.805 -8.809 1.00 0.00 WT2 H ATOM 27378 H2 TIP3 470 48.922 69.351 -9.555 1.00 0.00 WT2 H ATOM 27379 OH2 TIP3 472 34.934 21.125 64.008 1.00 0.00 WT2 O ATOM 27380 H1 TIP3 472 35.517 21.881 64.072 1.00 0.00 WT2 H ATOM 27381 H2 TIP3 472 35.470 20.385 64.295 1.00 0.00 WT2 H ATOM 27382 OH2 TIP3 478 81.514 56.327 33.658 1.00 0.00 WT2 O ATOM 27383 H1 TIP3 478 81.496 57.150 34.147 1.00 0.00 WT2 H ATOM 27384 H2 TIP3 478 80.593 56.125 33.494 1.00 0.00 WT2 H ATOM 27385 OH2 TIP3 483 52.898 19.154 9.966 1.00 0.00 WT2 O ATOM 27386 H1 TIP3 483 53.714 19.396 10.404 1.00 0.00 WT2 H ATOM 27387 H2 TIP3 483 52.436 18.610 10.604 1.00 0.00 WT2 H ATOM 27388 OH2 TIP3 484 87.434 85.229 24.211 1.00 0.00 WT2 O ATOM 27389 H1 TIP3 484 87.068 85.118 25.089 1.00 0.00 WT2 H ATOM 27390 H2 TIP3 484 87.284 86.152 24.004 1.00 0.00 WT2 H ATOM 27391 OH2 TIP3 485 40.947 58.857 63.260 1.00 0.00 WT2 O ATOM 27392 H1 TIP3 485 40.741 58.268 62.534 1.00 0.00 WT2 H ATOM 27393 H2 TIP3 485 41.831 58.607 63.528 1.00 0.00 WT2 H ATOM 27394 OH2 TIP3 486 88.219 70.011 48.266 1.00 0.00 WT2 O ATOM 27395 H1 TIP3 486 87.353 69.734 48.566 1.00 0.00 WT2 H ATOM 27396 H2 TIP3 486 88.350 69.541 47.442 1.00 0.00 WT2 H ATOM 27397 OH2 TIP3 488 57.353 84.869 29.264 1.00 0.00 WT2 O ATOM 27398 H1 TIP3 488 56.730 85.555 29.023 1.00 0.00 WT2 H ATOM 27399 H2 TIP3 488 57.153 84.144 28.671 1.00 0.00 WT2 H ATOM 27400 OH2 TIP3 489 89.219 13.216 49.808 1.00 0.00 WT2 O ATOM 27401 H1 TIP3 489 89.724 12.585 50.320 1.00 0.00 WT2 H ATOM 27402 H2 TIP3 489 89.860 13.613 49.217 1.00 0.00 WT2 H ATOM 27403 OH2 TIP3 492 88.086 19.001 -16.537 1.00 0.00 WT2 O ATOM 27404 H1 TIP3 492 87.186 19.277 -16.367 1.00 0.00 WT2 H ATOM 27405 H2 TIP3 492 88.375 18.606 -15.714 1.00 0.00 WT2 H ATOM 27406 OH2 TIP3 503 89.377 35.996 11.156 1.00 0.00 WT2 O ATOM 27407 H1 TIP3 503 88.579 35.635 10.770 1.00 0.00 WT2 H ATOM 27408 H2 TIP3 503 89.609 35.377 11.849 1.00 0.00 WT2 H ATOM 27409 OH2 TIP3 506 29.732 38.021 -15.760 1.00 0.00 WT2 O ATOM 27410 H1 TIP3 506 30.618 38.233 -16.056 1.00 0.00 WT2 H ATOM 27411 H2 TIP3 506 29.289 37.696 -16.543 1.00 0.00 WT2 H ATOM 27412 OH2 TIP3 507 90.562 27.061 -13.184 1.00 0.00 WT2 O ATOM 27413 H1 TIP3 507 89.613 26.984 -13.087 1.00 0.00 WT2 H ATOM 27414 H2 TIP3 507 90.905 26.230 -12.857 1.00 0.00 WT2 H ATOM 27415 OH2 TIP3 508 63.099 96.467 1.779 1.00 0.00 WT2 O ATOM 27416 H1 TIP3 508 64.033 96.649 1.678 1.00 0.00 WT2 H ATOM 27417 H2 TIP3 508 63.051 95.860 2.518 1.00 0.00 WT2 H ATOM 27418 OH2 TIP3 509 64.843 1.196 -4.351 1.00 0.00 WT2 O ATOM 27419 H1 TIP3 509 64.926 0.361 -4.812 1.00 0.00 WT2 H ATOM 27420 H2 TIP3 509 65.716 1.585 -4.400 1.00 0.00 WT2 H ATOM 27421 OH2 TIP3 511 87.578 81.176 37.154 1.00 0.00 WT2 O ATOM 27422 H1 TIP3 511 86.715 81.433 36.830 1.00 0.00 WT2 H ATOM 27423 H2 TIP3 511 87.594 80.223 37.065 1.00 0.00 WT2 H ATOM 27424 OH2 TIP3 512 64.428 10.612 20.464 1.00 0.00 WT2 O ATOM 27425 H1 TIP3 512 65.073 10.120 19.956 1.00 0.00 WT2 H ATOM 27426 H2 TIP3 512 64.863 11.439 20.668 1.00 0.00 WT2 H ATOM 27427 OH2 TIP3 513 22.137 10.931 -1.927 1.00 0.00 WT2 O ATOM 27428 H1 TIP3 513 22.102 11.477 -1.142 1.00 0.00 WT2 H ATOM 27429 H2 TIP3 513 21.982 10.042 -1.608 1.00 0.00 WT2 H ATOM 27430 OH2 TIP3 517 24.733 4.850 13.325 1.00 0.00 WT2 O ATOM 27431 H1 TIP3 517 24.473 5.093 12.436 1.00 0.00 WT2 H ATOM 27432 H2 TIP3 517 25.320 5.553 13.603 1.00 0.00 WT2 H ATOM 27433 OH2 TIP3 528 54.010 50.359 43.460 1.00 0.00 WT2 O ATOM 27434 H1 TIP3 528 53.779 49.770 42.741 1.00 0.00 WT2 H ATOM 27435 H2 TIP3 528 54.663 49.876 43.966 1.00 0.00 WT2 H ATOM 27436 OH2 TIP3 529 38.028 10.632 0.165 1.00 0.00 WT2 O ATOM 27437 H1 TIP3 529 37.999 11.220 -0.590 1.00 0.00 WT2 H ATOM 27438 H2 TIP3 529 38.961 10.486 0.319 1.00 0.00 WT2 H ATOM 27439 OH2 TIP3 530 88.366 6.680 55.052 1.00 0.00 WT2 O ATOM 27440 H1 TIP3 530 88.094 6.650 54.135 1.00 0.00 WT2 H ATOM 27441 H2 TIP3 530 89.244 6.299 55.056 1.00 0.00 WT2 H ATOM 27442 OH2 TIP3 532 51.775 90.953 63.368 1.00 0.00 WT2 O ATOM 27443 H1 TIP3 532 52.476 91.243 63.952 1.00 0.00 WT2 H ATOM 27444 H2 TIP3 532 51.110 90.591 63.953 1.00 0.00 WT2 H ATOM 27445 OH2 TIP3 533 60.202 19.300 52.758 1.00 0.00 WT2 O ATOM 27446 H1 TIP3 533 59.352 19.000 53.080 1.00 0.00 WT2 H ATOM 27447 H2 TIP3 533 60.535 18.568 52.240 1.00 0.00 WT2 H ATOM 27448 OH2 TIP3 535 69.963 32.532 -5.042 1.00 0.00 WT2 O ATOM 27449 H1 TIP3 535 69.950 32.684 -5.987 1.00 0.00 WT2 H ATOM 27450 H2 TIP3 535 69.264 31.895 -4.893 1.00 0.00 WT2 H ATOM 27451 OH2 TIP3 543 59.494 15.093 36.605 1.00 0.00 WT2 O ATOM 27452 H1 TIP3 543 58.951 15.080 37.393 1.00 0.00 WT2 H ATOM 27453 H2 TIP3 543 59.252 15.906 36.160 1.00 0.00 WT2 H ATOM 27454 OH2 TIP3 547 84.759 73.368 6.252 1.00 0.00 WT2 O ATOM 27455 H1 TIP3 547 83.948 73.691 5.861 1.00 0.00 WT2 H ATOM 27456 H2 TIP3 547 84.570 73.318 7.189 1.00 0.00 WT2 H ATOM 27457 OH2 TIP3 549 82.983 63.437 35.612 1.00 0.00 WT2 O ATOM 27458 H1 TIP3 549 82.609 63.923 36.347 1.00 0.00 WT2 H ATOM 27459 H2 TIP3 549 82.359 63.567 34.897 1.00 0.00 WT2 H ATOM 27460 OH2 TIP3 550 75.006 74.650 38.519 1.00 0.00 WT2 O ATOM 27461 H1 TIP3 550 75.584 74.274 37.855 1.00 0.00 WT2 H ATOM 27462 H2 TIP3 550 74.452 73.920 38.796 1.00 0.00 WT2 H ATOM 27463 OH2 TIP3 551 47.236 96.716 63.245 1.00 0.00 WT2 O ATOM 27464 H1 TIP3 551 47.432 96.764 64.181 1.00 0.00 WT2 H ATOM 27465 H2 TIP3 551 46.881 95.836 63.119 1.00 0.00 WT2 H ATOM 27466 OH2 TIP3 554 29.646 14.435 -5.208 1.00 0.00 WT2 O ATOM 27467 H1 TIP3 554 29.272 13.898 -5.907 1.00 0.00 WT2 H ATOM 27468 H2 TIP3 554 30.314 13.877 -4.809 1.00 0.00 WT2 H ATOM 27469 OH2 TIP3 558 64.698 35.856 56.936 1.00 0.00 WT2 O ATOM 27470 H1 TIP3 558 64.952 36.378 57.697 1.00 0.00 WT2 H ATOM 27471 H2 TIP3 558 63.748 35.770 57.010 1.00 0.00 WT2 H ATOM 27472 OH2 TIP3 562 79.735 17.669 48.910 1.00 0.00 WT2 O ATOM 27473 H1 TIP3 562 79.549 17.504 47.986 1.00 0.00 WT2 H ATOM 27474 H2 TIP3 562 78.956 18.120 49.235 1.00 0.00 WT2 H ATOM 27475 OH2 TIP3 568 59.770 14.134 2.149 1.00 0.00 WT2 O ATOM 27476 H1 TIP3 568 60.183 14.499 2.932 1.00 0.00 WT2 H ATOM 27477 H2 TIP3 568 59.069 14.750 1.938 1.00 0.00 WT2 H ATOM 27478 OH2 TIP3 570 78.435 93.606 34.611 1.00 0.00 WT2 O ATOM 27479 H1 TIP3 570 78.310 92.951 33.924 1.00 0.00 WT2 H ATOM 27480 H2 TIP3 570 79.195 93.296 35.102 1.00 0.00 WT2 H ATOM 27481 OH2 TIP3 572 78.443 52.696 30.791 1.00 0.00 WT2 O ATOM 27482 H1 TIP3 572 78.878 53.130 31.524 1.00 0.00 WT2 H ATOM 27483 H2 TIP3 572 77.852 53.360 30.435 1.00 0.00 WT2 H ATOM 27484 OH2 TIP3 573 39.254 43.510 67.135 1.00 0.00 WT2 O ATOM 27485 H1 TIP3 573 39.168 42.863 66.435 1.00 0.00 WT2 H ATOM 27486 H2 TIP3 573 40.161 43.810 67.075 1.00 0.00 WT2 H ATOM 27487 OH2 TIP3 574 25.740 7.481 40.578 1.00 0.00 WT2 O ATOM 27488 H1 TIP3 574 25.553 6.806 41.231 1.00 0.00 WT2 H ATOM 27489 H2 TIP3 574 24.993 7.452 39.982 1.00 0.00 WT2 H ATOM 27490 OH2 TIP3 575 65.200 31.669 35.050 1.00 0.00 WT2 O ATOM 27491 H1 TIP3 575 65.200 31.239 34.195 1.00 0.00 WT2 H ATOM 27492 H2 TIP3 575 65.277 32.601 34.850 1.00 0.00 WT2 H ATOM 27493 OH2 TIP3 584 49.927 64.556 59.364 1.00 0.00 WT2 O ATOM 27494 H1 TIP3 584 49.998 64.616 58.411 1.00 0.00 WT2 H ATOM 27495 H2 TIP3 584 50.356 63.729 59.585 1.00 0.00 WT2 H ATOM 27496 OH2 TIP3 588 25.734 91.002 60.740 1.00 0.00 WT2 O ATOM 27497 H1 TIP3 588 25.837 91.836 60.280 1.00 0.00 WT2 H ATOM 27498 H2 TIP3 588 25.084 91.181 61.419 1.00 0.00 WT2 H ATOM 27499 OH2 TIP3 591 25.319 14.412 65.063 1.00 0.00 WT2 O ATOM 27500 H1 TIP3 591 26.156 14.022 65.314 1.00 0.00 WT2 H ATOM 27501 H2 TIP3 591 24.883 14.600 65.894 1.00 0.00 WT2 H ATOM 27502 OH2 TIP3 592 41.105 40.555 63.366 1.00 0.00 WT2 O ATOM 27503 H1 TIP3 592 41.683 40.917 64.037 1.00 0.00 WT2 H ATOM 27504 H2 TIP3 592 41.395 39.648 63.264 1.00 0.00 WT2 H ATOM 27505 OH2 TIP3 593 39.286 42.075 32.868 1.00 0.00 WT2 O ATOM 27506 H1 TIP3 593 40.027 42.464 32.404 1.00 0.00 WT2 H ATOM 27507 H2 TIP3 593 39.686 41.501 33.521 1.00 0.00 WT2 H ATOM 27508 OH2 TIP3 594 64.346 77.588 -17.892 1.00 0.00 WT2 O ATOM 27509 H1 TIP3 594 63.618 76.974 -17.979 1.00 0.00 WT2 H ATOM 27510 H2 TIP3 594 64.732 77.630 -18.767 1.00 0.00 WT2 H ATOM 27511 OH2 TIP3 595 67.394 67.913 60.313 1.00 0.00 WT2 O ATOM 27512 H1 TIP3 595 67.972 68.294 59.653 1.00 0.00 WT2 H ATOM 27513 H2 TIP3 595 67.736 67.030 60.450 1.00 0.00 WT2 H ATOM 27514 OH2 TIP3 596 25.901 79.402 6.316 1.00 0.00 WT2 O ATOM 27515 H1 TIP3 596 26.359 79.497 7.152 1.00 0.00 WT2 H ATOM 27516 H2 TIP3 596 26.600 79.344 5.665 1.00 0.00 WT2 H ATOM 27517 OH2 TIP3 611 54.496 18.301 -8.481 1.00 0.00 WT2 O ATOM 27518 H1 TIP3 611 55.198 18.226 -7.836 1.00 0.00 WT2 H ATOM 27519 H2 TIP3 611 53.949 17.530 -8.331 1.00 0.00 WT2 H ATOM 27520 OH2 TIP3 612 62.886 66.626 32.588 1.00 0.00 WT2 O ATOM 27521 H1 TIP3 612 61.968 66.870 32.707 1.00 0.00 WT2 H ATOM 27522 H2 TIP3 612 62.886 66.063 31.814 1.00 0.00 WT2 H ATOM 27523 OH2 TIP3 613 26.214 7.972 47.820 1.00 0.00 WT2 O ATOM 27524 H1 TIP3 613 27.102 8.259 48.031 1.00 0.00 WT2 H ATOM 27525 H2 TIP3 613 25.755 8.774 47.570 1.00 0.00 WT2 H ATOM 27526 OH2 TIP3 616 54.923 87.308 66.479 1.00 0.00 WT2 O ATOM 27527 H1 TIP3 616 55.363 88.074 66.847 1.00 0.00 WT2 H ATOM 27528 H2 TIP3 616 54.475 86.908 67.225 1.00 0.00 WT2 H ATOM 27529 OH2 TIP3 617 62.454 29.217 50.836 1.00 0.00 WT2 O ATOM 27530 H1 TIP3 617 62.899 29.671 51.551 1.00 0.00 WT2 H ATOM 27531 H2 TIP3 617 61.565 29.075 51.158 1.00 0.00 WT2 H ATOM 27532 OH2 TIP3 619 37.590 24.748 21.035 1.00 0.00 WT2 O ATOM 27533 H1 TIP3 619 38.049 23.960 21.326 1.00 0.00 WT2 H ATOM 27534 H2 TIP3 619 37.704 24.756 20.085 1.00 0.00 WT2 H ATOM 27535 OH2 TIP3 632 79.986 21.659 -0.124 1.00 0.00 WT2 O ATOM 27536 H1 TIP3 632 80.531 20.874 -0.071 1.00 0.00 WT2 H ATOM 27537 H2 TIP3 632 80.560 22.369 0.162 1.00 0.00 WT2 H ATOM 27538 OH2 TIP3 634 74.311 44.138 32.041 1.00 0.00 WT2 O ATOM 27539 H1 TIP3 634 73.855 44.976 32.123 1.00 0.00 WT2 H ATOM 27540 H2 TIP3 634 74.079 43.823 31.168 1.00 0.00 WT2 H ATOM 27541 OH2 TIP3 635 45.470 33.826 -9.935 1.00 0.00 WT2 O ATOM 27542 H1 TIP3 635 45.128 34.261 -9.154 1.00 0.00 WT2 H ATOM 27543 H2 TIP3 635 45.960 33.076 -9.597 1.00 0.00 WT2 H ATOM 27544 OH2 TIP3 638 24.805 42.600 36.909 1.00 0.00 WT2 O ATOM 27545 H1 TIP3 638 24.185 41.878 37.008 1.00 0.00 WT2 H ATOM 27546 H2 TIP3 638 25.667 42.189 36.978 1.00 0.00 WT2 H ATOM 27547 OH2 TIP3 640 38.772 17.924 32.163 1.00 0.00 WT2 O ATOM 27548 H1 TIP3 640 37.950 18.019 31.681 1.00 0.00 WT2 H ATOM 27549 H2 TIP3 640 39.178 18.789 32.118 1.00 0.00 WT2 H ATOM 27550 OH2 TIP3 653 44.694 33.439 -16.037 1.00 0.00 WT2 O ATOM 27551 H1 TIP3 653 45.218 34.198 -15.781 1.00 0.00 WT2 H ATOM 27552 H2 TIP3 653 45.147 32.692 -15.644 1.00 0.00 WT2 H ATOM 27553 OH2 TIP3 654 45.980 18.463 37.904 1.00 0.00 WT2 O ATOM 27554 H1 TIP3 654 46.551 17.973 37.312 1.00 0.00 WT2 H ATOM 27555 H2 TIP3 654 45.586 19.139 37.353 1.00 0.00 WT2 H ATOM 27556 OH2 TIP3 656 61.458 49.932 1.109 1.00 0.00 WT2 O ATOM 27557 H1 TIP3 656 60.506 49.875 1.023 1.00 0.00 WT2 H ATOM 27558 H2 TIP3 656 61.612 50.797 1.491 1.00 0.00 WT2 H ATOM 27559 OH2 TIP3 657 43.147 47.917 42.574 1.00 0.00 WT2 O ATOM 27560 H1 TIP3 657 43.423 48.731 42.153 1.00 0.00 WT2 H ATOM 27561 H2 TIP3 657 42.311 48.132 42.987 1.00 0.00 WT2 H ATOM 27562 OH2 TIP3 659 78.616 72.097 28.858 1.00 0.00 WT2 O ATOM 27563 H1 TIP3 659 78.073 71.310 28.797 1.00 0.00 WT2 H ATOM 27564 H2 TIP3 659 78.877 72.138 29.778 1.00 0.00 WT2 H ATOM 27565 OH2 TIP3 660 32.957 55.017 42.949 1.00 0.00 WT2 O ATOM 27566 H1 TIP3 660 33.455 55.673 42.460 1.00 0.00 WT2 H ATOM 27567 H2 TIP3 660 32.491 54.520 42.277 1.00 0.00 WT2 H ATOM 27568 OH2 TIP3 672 50.155 32.881 49.910 1.00 0.00 WT2 O ATOM 27569 H1 TIP3 672 50.697 32.394 49.289 1.00 0.00 WT2 H ATOM 27570 H2 TIP3 672 50.763 33.484 50.337 1.00 0.00 WT2 H ATOM 27571 OH2 TIP3 674 76.011 70.128 60.950 1.00 0.00 WT2 O ATOM 27572 H1 TIP3 674 75.771 69.912 61.851 1.00 0.00 WT2 H ATOM 27573 H2 TIP3 674 75.489 69.532 60.413 1.00 0.00 WT2 H ATOM 27574 OH2 TIP3 675 77.752 52.195 13.272 1.00 0.00 WT2 O ATOM 27575 H1 TIP3 675 77.719 53.146 13.377 1.00 0.00 WT2 H ATOM 27576 H2 TIP3 675 77.129 52.009 12.570 1.00 0.00 WT2 H ATOM 27577 OH2 TIP3 676 89.830 36.796 52.328 1.00 0.00 WT2 O ATOM 27578 H1 TIP3 676 90.408 37.045 51.607 1.00 0.00 WT2 H ATOM 27579 H2 TIP3 676 89.048 37.333 52.206 1.00 0.00 WT2 H ATOM 27580 OH2 TIP3 677 35.383 75.569 9.405 1.00 0.00 WT2 O ATOM 27581 H1 TIP3 677 35.047 75.379 10.281 1.00 0.00 WT2 H ATOM 27582 H2 TIP3 677 36.211 75.090 9.357 1.00 0.00 WT2 H ATOM 27583 OH2 TIP3 680 74.946 29.329 3.411 1.00 0.00 WT2 O ATOM 27584 H1 TIP3 680 74.912 29.572 4.336 1.00 0.00 WT2 H ATOM 27585 H2 TIP3 680 75.319 28.447 3.409 1.00 0.00 WT2 H ATOM 27586 OH2 TIP3 682 45.681 15.699 47.766 1.00 0.00 WT2 O ATOM 27587 H1 TIP3 682 45.902 16.504 47.298 1.00 0.00 WT2 H ATOM 27588 H2 TIP3 682 46.031 14.998 47.216 1.00 0.00 WT2 H ATOM 27589 OH2 TIP3 683 79.363 44.188 -8.015 1.00 0.00 WT2 O ATOM 27590 H1 TIP3 683 78.996 45.013 -8.334 1.00 0.00 WT2 H ATOM 27591 H2 TIP3 683 78.790 43.935 -7.291 1.00 0.00 WT2 H ATOM 27592 OH2 TIP3 692 55.763 34.850 36.133 1.00 0.00 WT2 O ATOM 27593 H1 TIP3 692 55.040 35.053 36.727 1.00 0.00 WT2 H ATOM 27594 H2 TIP3 692 55.923 35.668 35.662 1.00 0.00 WT2 H ATOM 27595 OH2 TIP3 695 68.198 39.268 65.627 1.00 0.00 WT2 O ATOM 27596 H1 TIP3 695 68.687 40.024 65.301 1.00 0.00 WT2 H ATOM 27597 H2 TIP3 695 68.677 38.992 66.408 1.00 0.00 WT2 H ATOM 27598 OH2 TIP3 696 73.762 69.269 12.422 1.00 0.00 WT2 O ATOM 27599 H1 TIP3 696 73.323 68.782 13.120 1.00 0.00 WT2 H ATOM 27600 H2 TIP3 696 73.094 69.372 11.744 1.00 0.00 WT2 H ATOM 27601 OH2 TIP3 697 82.283 79.934 14.091 1.00 0.00 WT2 O ATOM 27602 H1 TIP3 697 81.802 79.297 14.620 1.00 0.00 WT2 H ATOM 27603 H2 TIP3 697 82.879 80.358 14.709 1.00 0.00 WT2 H ATOM 27604 OH2 TIP3 698 25.251 48.761 52.353 1.00 0.00 WT2 O ATOM 27605 H1 TIP3 698 24.584 48.899 51.681 1.00 0.00 WT2 H ATOM 27606 H2 TIP3 698 25.196 47.828 52.558 1.00 0.00 WT2 H ATOM 27607 OH2 TIP3 699 66.282 15.797 -5.828 1.00 0.00 WT2 O ATOM 27608 H1 TIP3 699 65.530 15.219 -5.702 1.00 0.00 WT2 H ATOM 27609 H2 TIP3 699 66.549 16.040 -4.941 1.00 0.00 WT2 H ATOM 27610 OH2 TIP3 715 34.518 94.827 14.735 1.00 0.00 WT2 O ATOM 27611 H1 TIP3 715 33.975 94.498 14.019 1.00 0.00 WT2 H ATOM 27612 H2 TIP3 715 34.771 95.708 14.459 1.00 0.00 WT2 H ATOM 27613 OH2 TIP3 716 85.836 16.049 52.335 1.00 0.00 WT2 O ATOM 27614 H1 TIP3 716 85.683 16.477 51.492 1.00 0.00 WT2 H ATOM 27615 H2 TIP3 716 86.255 16.720 52.872 1.00 0.00 WT2 H ATOM 27616 OH2 TIP3 717 73.795 58.028 11.235 1.00 0.00 WT2 O ATOM 27617 H1 TIP3 717 73.220 58.359 10.546 1.00 0.00 WT2 H ATOM 27618 H2 TIP3 717 73.261 57.389 11.707 1.00 0.00 WT2 H ATOM 27619 OH2 TIP3 718 64.810 56.395 1.068 1.00 0.00 WT2 O ATOM 27620 H1 TIP3 718 64.870 56.272 2.015 1.00 0.00 WT2 H ATOM 27621 H2 TIP3 718 64.160 57.088 0.957 1.00 0.00 WT2 H ATOM 27622 OH2 TIP3 719 25.405 39.601 62.203 1.00 0.00 WT2 O ATOM 27623 H1 TIP3 719 25.900 40.392 61.989 1.00 0.00 WT2 H ATOM 27624 H2 TIP3 719 25.525 39.491 63.146 1.00 0.00 WT2 H ATOM 27625 OH2 TIP3 720 48.397 89.540 19.012 1.00 0.00 WT2 O ATOM 27626 H1 TIP3 720 48.765 90.416 18.898 1.00 0.00 WT2 H ATOM 27627 H2 TIP3 720 49.129 88.948 18.837 1.00 0.00 WT2 H ATOM 27628 OH2 TIP3 721 83.766 63.295 48.428 1.00 0.00 WT2 O ATOM 27629 H1 TIP3 721 83.278 62.986 47.664 1.00 0.00 WT2 H ATOM 27630 H2 TIP3 721 84.666 63.388 48.116 1.00 0.00 WT2 H ATOM 27631 OH2 TIP3 735 66.442 63.419 59.316 1.00 0.00 WT2 O ATOM 27632 H1 TIP3 735 66.858 62.680 58.872 1.00 0.00 WT2 H ATOM 27633 H2 TIP3 735 67.170 63.983 59.576 1.00 0.00 WT2 H ATOM 27634 OH2 TIP3 736 36.327 62.671 41.587 1.00 0.00 WT2 O ATOM 27635 H1 TIP3 736 36.044 62.492 40.690 1.00 0.00 WT2 H ATOM 27636 H2 TIP3 736 37.137 62.172 41.688 1.00 0.00 WT2 H ATOM 27637 OH2 TIP3 738 45.355 3.657 -7.655 1.00 0.00 WT2 O ATOM 27638 H1 TIP3 738 45.267 2.706 -7.589 1.00 0.00 WT2 H ATOM 27639 H2 TIP3 738 45.054 3.865 -8.539 1.00 0.00 WT2 H ATOM 27640 OH2 TIP3 739 33.186 61.035 57.752 1.00 0.00 WT2 O ATOM 27641 H1 TIP3 739 32.447 61.549 57.428 1.00 0.00 WT2 H ATOM 27642 H2 TIP3 739 33.730 61.666 58.223 1.00 0.00 WT2 H ATOM 27643 OH2 TIP3 740 49.388 39.602 35.023 1.00 0.00 WT2 O ATOM 27644 H1 TIP3 740 49.178 39.999 34.178 1.00 0.00 WT2 H ATOM 27645 H2 TIP3 740 49.131 38.685 34.927 1.00 0.00 WT2 H ATOM 27646 OH2 TIP3 741 25.208 17.100 -10.429 1.00 0.00 WT2 O ATOM 27647 H1 TIP3 741 25.954 16.724 -10.896 1.00 0.00 WT2 H ATOM 27648 H2 TIP3 741 24.584 17.329 -11.118 1.00 0.00 WT2 H ATOM 27649 OH2 TIP3 744 31.917 67.091 3.658 1.00 0.00 WT2 O ATOM 27650 H1 TIP3 744 32.101 66.725 2.793 1.00 0.00 WT2 H ATOM 27651 H2 TIP3 744 31.964 66.341 4.251 1.00 0.00 WT2 H ATOM 27652 OH2 TIP3 746 20.987 72.162 52.041 1.00 0.00 WT2 O ATOM 27653 H1 TIP3 746 21.330 71.351 51.667 1.00 0.00 WT2 H ATOM 27654 H2 TIP3 746 21.642 72.824 51.820 1.00 0.00 WT2 H ATOM 27655 OH2 TIP3 757 55.414 14.391 26.760 1.00 0.00 WT2 O ATOM 27656 H1 TIP3 757 54.986 15.227 26.945 1.00 0.00 WT2 H ATOM 27657 H2 TIP3 757 56.112 14.611 26.143 1.00 0.00 WT2 H ATOM 27658 OH2 TIP3 758 24.207 94.880 3.609 1.00 0.00 WT2 O ATOM 27659 H1 TIP3 758 24.163 94.129 4.201 1.00 0.00 WT2 H ATOM 27660 H2 TIP3 758 25.143 95.064 3.524 1.00 0.00 WT2 H ATOM 27661 OH2 TIP3 759 21.747 3.259 63.605 1.00 0.00 WT2 O ATOM 27662 H1 TIP3 759 22.001 2.337 63.650 1.00 0.00 WT2 H ATOM 27663 H2 TIP3 759 22.120 3.571 62.781 1.00 0.00 WT2 H ATOM 27664 OH2 TIP3 760 38.075 27.682 4.043 1.00 0.00 WT2 O ATOM 27665 H1 TIP3 760 38.899 27.363 3.677 1.00 0.00 WT2 H ATOM 27666 H2 TIP3 760 38.326 28.114 4.859 1.00 0.00 WT2 H ATOM 27667 OH2 TIP3 765 89.781 58.221 61.413 1.00 0.00 WT2 O ATOM 27668 H1 TIP3 765 90.352 57.787 62.047 1.00 0.00 WT2 H ATOM 27669 H2 TIP3 765 90.117 59.115 61.358 1.00 0.00 WT2 H ATOM 27670 OH2 TIP3 766 65.020 10.062 -19.953 1.00 0.00 WT2 O ATOM 27671 H1 TIP3 766 64.957 9.453 -19.217 1.00 0.00 WT2 H ATOM 27672 H2 TIP3 766 65.552 10.785 -19.621 1.00 0.00 WT2 H ATOM 27673 OH2 TIP3 776 64.755 48.315 31.931 1.00 0.00 WT2 O ATOM 27674 H1 TIP3 776 64.397 47.594 32.448 1.00 0.00 WT2 H ATOM 27675 H2 TIP3 776 63.985 48.776 31.597 1.00 0.00 WT2 H ATOM 27676 OH2 TIP3 778 86.733 76.325 47.416 1.00 0.00 WT2 O ATOM 27677 H1 TIP3 778 85.833 76.438 47.722 1.00 0.00 WT2 H ATOM 27678 H2 TIP3 778 86.799 76.896 46.651 1.00 0.00 WT2 H ATOM 27679 OH2 TIP3 780 79.305 62.537 62.088 1.00 0.00 WT2 O ATOM 27680 H1 TIP3 780 78.487 62.300 61.651 1.00 0.00 WT2 H ATOM 27681 H2 TIP3 780 79.491 61.798 62.667 1.00 0.00 WT2 H ATOM 27682 OH2 TIP3 781 77.616 60.972 32.974 1.00 0.00 WT2 O ATOM 27683 H1 TIP3 781 77.278 60.748 33.841 1.00 0.00 WT2 H ATOM 27684 H2 TIP3 781 78.484 60.569 32.943 1.00 0.00 WT2 H ATOM 27685 OH2 TIP3 782 78.041 66.537 53.297 1.00 0.00 WT2 O ATOM 27686 H1 TIP3 782 78.892 66.959 53.180 1.00 0.00 WT2 H ATOM 27687 H2 TIP3 782 78.230 65.760 53.824 1.00 0.00 WT2 H ATOM 27688 OH2 TIP3 783 44.933 62.316 3.540 1.00 0.00 WT2 O ATOM 27689 H1 TIP3 783 44.178 62.456 4.111 1.00 0.00 WT2 H ATOM 27690 H2 TIP3 783 45.616 61.985 4.123 1.00 0.00 WT2 H ATOM 27691 OH2 TIP3 784 61.507 90.069 -9.012 1.00 0.00 WT2 O ATOM 27692 H1 TIP3 784 60.731 90.341 -8.522 1.00 0.00 WT2 H ATOM 27693 H2 TIP3 784 61.258 89.236 -9.413 1.00 0.00 WT2 H ATOM 27694 OH2 TIP3 785 67.255 49.929 59.640 1.00 0.00 WT2 O ATOM 27695 H1 TIP3 785 68.119 50.325 59.531 1.00 0.00 WT2 H ATOM 27696 H2 TIP3 785 67.164 49.342 58.890 1.00 0.00 WT2 H ATOM 27697 OH2 TIP3 801 22.209 25.207 49.048 1.00 0.00 WT2 O ATOM 27698 H1 TIP3 801 22.970 25.418 48.507 1.00 0.00 WT2 H ATOM 27699 H2 TIP3 801 22.061 24.273 48.900 1.00 0.00 WT2 H ATOM 27700 OH2 TIP3 802 89.838 45.071 64.831 1.00 0.00 WT2 O ATOM 27701 H1 TIP3 802 88.944 45.395 64.716 1.00 0.00 WT2 H ATOM 27702 H2 TIP3 802 89.845 44.697 65.713 1.00 0.00 WT2 H ATOM 27703 OH2 TIP3 803 23.705 57.273 10.035 1.00 0.00 WT2 O ATOM 27704 H1 TIP3 803 23.407 56.411 10.326 1.00 0.00 WT2 H ATOM 27705 H2 TIP3 803 24.590 57.353 10.389 1.00 0.00 WT2 H ATOM 27706 OH2 TIP3 804 32.393 26.407 -12.620 1.00 0.00 WT2 O ATOM 27707 H1 TIP3 804 32.274 25.656 -13.201 1.00 0.00 WT2 H ATOM 27708 H2 TIP3 804 31.835 27.089 -12.993 1.00 0.00 WT2 H ATOM 27709 OH2 TIP3 805 62.984 83.187 58.908 1.00 0.00 WT2 O ATOM 27710 H1 TIP3 805 62.171 82.701 58.769 1.00 0.00 WT2 H ATOM 27711 H2 TIP3 805 62.788 84.074 58.607 1.00 0.00 WT2 H ATOM 27712 OH2 TIP3 807 89.008 65.825 -18.176 1.00 0.00 WT2 O ATOM 27713 H1 TIP3 807 88.170 65.955 -17.733 1.00 0.00 WT2 H ATOM 27714 H2 TIP3 807 89.019 64.895 -18.401 1.00 0.00 WT2 H ATOM 27715 OH2 TIP3 809 61.271 29.668 -13.581 1.00 0.00 WT2 O ATOM 27716 H1 TIP3 809 61.158 29.455 -12.655 1.00 0.00 WT2 H ATOM 27717 H2 TIP3 809 60.492 29.309 -14.006 1.00 0.00 WT2 H ATOM 27718 OH2 TIP3 817 45.152 29.909 39.686 1.00 0.00 WT2 O ATOM 27719 H1 TIP3 817 45.823 29.787 40.357 1.00 0.00 WT2 H ATOM 27720 H2 TIP3 817 44.691 30.706 39.950 1.00 0.00 WT2 H ATOM 27721 OH2 TIP3 822 40.582 16.572 37.618 1.00 0.00 WT2 O ATOM 27722 H1 TIP3 822 41.516 16.521 37.817 1.00 0.00 WT2 H ATOM 27723 H2 TIP3 822 40.511 17.280 36.978 1.00 0.00 WT2 H ATOM 27724 OH2 TIP3 823 65.056 17.529 28.322 1.00 0.00 WT2 O ATOM 27725 H1 TIP3 823 64.610 16.721 28.576 1.00 0.00 WT2 H ATOM 27726 H2 TIP3 823 64.388 18.209 28.409 1.00 0.00 WT2 H ATOM 27727 OH2 TIP3 824 73.211 36.596 15.423 1.00 0.00 WT2 O ATOM 27728 H1 TIP3 824 72.366 36.161 15.308 1.00 0.00 WT2 H ATOM 27729 H2 TIP3 824 73.851 35.885 15.412 1.00 0.00 WT2 H ATOM 27730 OH2 TIP3 826 76.992 47.192 -7.954 1.00 0.00 WT2 O ATOM 27731 H1 TIP3 826 76.988 48.149 -7.970 1.00 0.00 WT2 H ATOM 27732 H2 TIP3 826 76.680 46.966 -7.078 1.00 0.00 WT2 H ATOM 27733 OH2 TIP3 843 78.475 27.540 8.800 1.00 0.00 WT2 O ATOM 27734 H1 TIP3 843 79.113 28.041 8.292 1.00 0.00 WT2 H ATOM 27735 H2 TIP3 843 78.948 27.280 9.590 1.00 0.00 WT2 H ATOM 27736 OH2 TIP3 845 44.175 13.804 59.567 1.00 0.00 WT2 O ATOM 27737 H1 TIP3 845 43.283 13.589 59.293 1.00 0.00 WT2 H ATOM 27738 H2 TIP3 845 44.726 13.507 58.843 1.00 0.00 WT2 H ATOM 27739 OH2 TIP3 846 58.720 79.194 35.123 1.00 0.00 WT2 O ATOM 27740 H1 TIP3 846 58.072 78.542 35.389 1.00 0.00 WT2 H ATOM 27741 H2 TIP3 846 59.427 78.684 34.729 1.00 0.00 WT2 H ATOM 27742 OH2 TIP3 847 50.084 68.197 27.540 1.00 0.00 WT2 O ATOM 27743 H1 TIP3 847 49.656 67.344 27.461 1.00 0.00 WT2 H ATOM 27744 H2 TIP3 847 50.335 68.424 26.645 1.00 0.00 WT2 H ATOM 27745 OH2 TIP3 848 26.489 8.646 15.115 1.00 0.00 WT2 O ATOM 27746 H1 TIP3 848 26.639 9.449 15.613 1.00 0.00 WT2 H ATOM 27747 H2 TIP3 848 26.406 7.963 15.780 1.00 0.00 WT2 H ATOM 27748 OH2 TIP3 849 79.123 82.989 25.848 1.00 0.00 WT2 O ATOM 27749 H1 TIP3 849 78.572 83.514 26.428 1.00 0.00 WT2 H ATOM 27750 H2 TIP3 849 78.771 83.150 24.972 1.00 0.00 WT2 H ATOM 27751 OH2 TIP3 862 81.971 54.695 7.870 1.00 0.00 WT2 O ATOM 27752 H1 TIP3 862 82.017 54.589 8.821 1.00 0.00 WT2 H ATOM 27753 H2 TIP3 862 81.042 54.841 7.691 1.00 0.00 WT2 H ATOM 27754 OH2 TIP3 865 42.347 40.505 36.322 1.00 0.00 WT2 O ATOM 27755 H1 TIP3 865 42.274 39.776 35.706 1.00 0.00 WT2 H ATOM 27756 H2 TIP3 865 42.674 41.234 35.793 1.00 0.00 WT2 H ATOM 27757 OH2 TIP3 866 25.161 91.288 7.572 1.00 0.00 WT2 O ATOM 27758 H1 TIP3 866 24.685 92.042 7.224 1.00 0.00 WT2 H ATOM 27759 H2 TIP3 866 25.280 91.486 8.501 1.00 0.00 WT2 H ATOM 27760 OH2 TIP3 867 30.403 80.196 59.253 1.00 0.00 WT2 O ATOM 27761 H1 TIP3 867 30.736 80.056 60.140 1.00 0.00 WT2 H ATOM 27762 H2 TIP3 867 30.036 79.349 58.999 1.00 0.00 WT2 H ATOM 27763 OH2 TIP3 883 86.460 55.742 -0.917 1.00 0.00 WT2 O ATOM 27764 H1 TIP3 883 86.197 55.169 -0.197 1.00 0.00 WT2 H ATOM 27765 H2 TIP3 883 87.417 55.730 -0.896 1.00 0.00 WT2 H ATOM 27766 OH2 TIP3 885 67.441 33.344 60.268 1.00 0.00 WT2 O ATOM 27767 H1 TIP3 885 66.625 33.816 60.100 1.00 0.00 WT2 H ATOM 27768 H2 TIP3 885 68.011 33.584 59.538 1.00 0.00 WT2 H ATOM 27769 OH2 TIP3 887 38.134 1.016 32.755 1.00 0.00 WT2 O ATOM 27770 H1 TIP3 887 38.613 0.737 31.975 1.00 0.00 WT2 H ATOM 27771 H2 TIP3 887 38.816 1.247 33.385 1.00 0.00 WT2 H ATOM 27772 OH2 TIP3 888 36.984 5.674 5.624 1.00 0.00 WT2 O ATOM 27773 H1 TIP3 888 36.535 6.443 5.271 1.00 0.00 WT2 H ATOM 27774 H2 TIP3 888 36.555 5.510 6.463 1.00 0.00 WT2 H ATOM 27775 OH2 TIP3 891 32.003 49.181 59.541 1.00 0.00 WT2 O ATOM 27776 H1 TIP3 891 32.286 49.796 60.217 1.00 0.00 WT2 H ATOM 27777 H2 TIP3 891 31.795 48.378 60.018 1.00 0.00 WT2 H ATOM 27778 OH2 TIP3 905 25.218 40.283 51.591 1.00 0.00 WT2 O ATOM 27779 H1 TIP3 905 24.850 40.352 52.472 1.00 0.00 WT2 H ATOM 27780 H2 TIP3 905 25.475 39.364 51.510 1.00 0.00 WT2 H ATOM 27781 OH2 TIP3 906 36.717 38.141 5.944 1.00 0.00 WT2 O ATOM 27782 H1 TIP3 906 36.026 37.644 6.383 1.00 0.00 WT2 H ATOM 27783 H2 TIP3 906 36.256 38.666 5.290 1.00 0.00 WT2 H ATOM 27784 OH2 TIP3 907 76.704 60.024 -1.197 1.00 0.00 WT2 O ATOM 27785 H1 TIP3 907 76.062 59.399 -1.531 1.00 0.00 WT2 H ATOM 27786 H2 TIP3 907 76.998 60.504 -1.972 1.00 0.00 WT2 H ATOM 27787 OH2 TIP3 908 56.444 21.865 57.429 1.00 0.00 WT2 O ATOM 27788 H1 TIP3 908 56.212 21.886 58.358 1.00 0.00 WT2 H ATOM 27789 H2 TIP3 908 56.489 22.787 57.173 1.00 0.00 WT2 H ATOM 27790 OH2 TIP3 909 38.351 83.209 -10.789 1.00 0.00 WT2 O ATOM 27791 H1 TIP3 909 37.703 82.640 -11.205 1.00 0.00 WT2 H ATOM 27792 H2 TIP3 909 38.650 82.714 -10.027 1.00 0.00 WT2 H ATOM 27793 OH2 TIP3 910 60.671 22.516 10.778 1.00 0.00 WT2 O ATOM 27794 H1 TIP3 910 59.988 22.910 11.320 1.00 0.00 WT2 H ATOM 27795 H2 TIP3 910 60.194 22.004 10.125 1.00 0.00 WT2 H ATOM 27796 OH2 TIP3 912 47.961 7.077 59.996 1.00 0.00 WT2 O ATOM 27797 H1 TIP3 912 47.765 6.147 59.887 1.00 0.00 WT2 H ATOM 27798 H2 TIP3 912 48.916 7.128 59.943 1.00 0.00 WT2 H ATOM 27799 OH2 TIP3 913 82.064 84.582 42.210 1.00 0.00 WT2 O ATOM 27800 H1 TIP3 913 82.572 85.372 42.394 1.00 0.00 WT2 H ATOM 27801 H2 TIP3 913 82.387 84.283 41.360 1.00 0.00 WT2 H ATOM 27802 OH2 TIP3 924 88.351 22.931 49.472 1.00 0.00 WT2 O ATOM 27803 H1 TIP3 924 87.737 22.892 50.205 1.00 0.00 WT2 H ATOM 27804 H2 TIP3 924 89.019 23.558 49.751 1.00 0.00 WT2 H ATOM 27805 OH2 TIP3 925 25.356 31.270 8.780 1.00 0.00 WT2 O ATOM 27806 H1 TIP3 925 25.554 30.584 9.418 1.00 0.00 WT2 H ATOM 27807 H2 TIP3 925 24.968 31.975 9.299 1.00 0.00 WT2 H ATOM 27808 OH2 TIP3 926 32.482 66.992 9.753 1.00 0.00 WT2 O ATOM 27809 H1 TIP3 926 32.897 67.560 10.402 1.00 0.00 WT2 H ATOM 27810 H2 TIP3 926 32.957 66.163 9.821 1.00 0.00 WT2 H ATOM 27811 OH2 TIP3 927 85.599 31.199 34.711 1.00 0.00 WT2 O ATOM 27812 H1 TIP3 927 85.852 30.590 35.405 1.00 0.00 WT2 H ATOM 27813 H2 TIP3 927 86.289 31.861 34.709 1.00 0.00 WT2 H ATOM 27814 OH2 TIP3 928 72.250 56.402 13.176 1.00 0.00 WT2 O ATOM 27815 H1 TIP3 928 71.352 56.072 13.150 1.00 0.00 WT2 H ATOM 27816 H2 TIP3 928 72.211 57.159 13.760 1.00 0.00 WT2 H ATOM 27817 OH2 TIP3 929 24.847 14.254 30.560 1.00 0.00 WT2 O ATOM 27818 H1 TIP3 929 24.263 13.573 30.226 1.00 0.00 WT2 H ATOM 27819 H2 TIP3 929 25.647 14.158 30.044 1.00 0.00 WT2 H ATOM 27820 OH2 TIP3 930 80.438 38.092 35.310 1.00 0.00 WT2 O ATOM 27821 H1 TIP3 930 79.823 37.574 35.829 1.00 0.00 WT2 H ATOM 27822 H2 TIP3 930 81.227 38.140 35.850 1.00 0.00 WT2 H ATOM 27823 OH2 TIP3 932 55.244 43.524 31.688 1.00 0.00 WT2 O ATOM 27824 H1 TIP3 932 55.156 42.769 31.106 1.00 0.00 WT2 H ATOM 27825 H2 TIP3 932 55.012 44.276 31.143 1.00 0.00 WT2 H ATOM 27826 OH2 TIP3 942 64.208 69.811 -19.241 1.00 0.00 WT2 O ATOM 27827 H1 TIP3 942 64.371 69.658 -20.172 1.00 0.00 WT2 H ATOM 27828 H2 TIP3 942 63.713 69.043 -18.955 1.00 0.00 WT2 H ATOM 27829 OH2 TIP3 947 68.943 63.674 -15.401 1.00 0.00 WT2 O ATOM 27830 H1 TIP3 947 68.616 63.370 -16.248 1.00 0.00 WT2 H ATOM 27831 H2 TIP3 947 68.354 63.277 -14.760 1.00 0.00 WT2 H ATOM 27832 OH2 TIP3 948 24.886 2.922 40.142 1.00 0.00 WT2 O ATOM 27833 H1 TIP3 948 24.003 2.553 40.149 1.00 0.00 WT2 H ATOM 27834 H2 TIP3 948 24.929 3.426 39.329 1.00 0.00 WT2 H ATOM 27835 OH2 TIP3 950 41.568 26.249 58.412 1.00 0.00 WT2 O ATOM 27836 H1 TIP3 950 41.065 25.469 58.644 1.00 0.00 WT2 H ATOM 27837 H2 TIP3 950 41.410 26.859 59.133 1.00 0.00 WT2 H ATOM 27838 OH2 TIP3 951 74.430 68.432 59.352 1.00 0.00 WT2 O ATOM 27839 H1 TIP3 951 74.628 67.527 59.111 1.00 0.00 WT2 H ATOM 27840 H2 TIP3 951 73.494 68.529 59.176 1.00 0.00 WT2 H ATOM 27841 OH2 TIP3 952 83.432 55.274 60.249 1.00 0.00 WT2 O ATOM 27842 H1 TIP3 952 82.598 55.647 60.533 1.00 0.00 WT2 H ATOM 27843 H2 TIP3 952 84.077 55.642 60.853 1.00 0.00 WT2 H ATOM 27844 OH2 TIP3 953 78.558 5.562 57.501 1.00 0.00 WT2 O ATOM 27845 H1 TIP3 953 79.031 5.735 56.686 1.00 0.00 WT2 H ATOM 27846 H2 TIP3 953 78.886 6.221 58.113 1.00 0.00 WT2 H ATOM 27847 OH2 TIP3 956 57.821 45.129 54.922 1.00 0.00 WT2 O ATOM 27848 H1 TIP3 956 58.253 44.975 55.762 1.00 0.00 WT2 H ATOM 27849 H2 TIP3 956 57.064 45.674 55.137 1.00 0.00 WT2 H ATOM 27850 OH2 TIP3 964 25.057 39.922 58.864 1.00 0.00 WT2 O ATOM 27851 H1 TIP3 964 24.234 40.208 58.468 1.00 0.00 WT2 H ATOM 27852 H2 TIP3 964 24.790 39.421 59.635 1.00 0.00 WT2 H ATOM 27853 OH2 TIP3 968 24.573 76.146 3.221 1.00 0.00 WT2 O ATOM 27854 H1 TIP3 968 25.180 76.642 3.771 1.00 0.00 WT2 H ATOM 27855 H2 TIP3 968 24.362 76.740 2.501 1.00 0.00 WT2 H ATOM 27856 OH2 TIP3 969 37.118 88.106 -7.971 1.00 0.00 WT2 O ATOM 27857 H1 TIP3 969 36.718 88.398 -7.152 1.00 0.00 WT2 H ATOM 27858 H2 TIP3 969 36.800 88.725 -8.628 1.00 0.00 WT2 H ATOM 27859 OH2 TIP3 970 35.918 19.010 40.399 1.00 0.00 WT2 O ATOM 27860 H1 TIP3 970 35.566 18.332 39.822 1.00 0.00 WT2 H ATOM 27861 H2 TIP3 970 36.287 19.663 39.804 1.00 0.00 WT2 H ATOM 27862 OH2 TIP3 972 89.181 72.960 -10.760 1.00 0.00 WT2 O ATOM 27863 H1 TIP3 972 89.464 72.196 -11.264 1.00 0.00 WT2 H ATOM 27864 H2 TIP3 972 88.281 72.758 -10.505 1.00 0.00 WT2 H ATOM 27865 OH2 TIP3 974 56.004 35.783 55.449 1.00 0.00 WT2 O ATOM 27866 H1 TIP3 974 55.106 35.958 55.730 1.00 0.00 WT2 H ATOM 27867 H2 TIP3 974 55.908 35.269 54.647 1.00 0.00 WT2 H ATOM 27868 OH2 TIP3 985 70.260 33.119 25.813 1.00 0.00 WT2 O ATOM 27869 H1 TIP3 985 69.720 33.708 25.286 1.00 0.00 WT2 H ATOM 27870 H2 TIP3 985 69.961 32.242 25.574 1.00 0.00 WT2 H ATOM 27871 OH2 TIP3 987 63.664 15.532 51.616 1.00 0.00 WT2 O ATOM 27872 H1 TIP3 987 63.820 14.966 50.859 1.00 0.00 WT2 H ATOM 27873 H2 TIP3 987 62.753 15.365 51.857 1.00 0.00 WT2 H ATOM 27874 OH2 TIP3 988 69.437 25.363 9.375 1.00 0.00 WT2 O ATOM 27875 H1 TIP3 988 69.378 24.723 10.085 1.00 0.00 WT2 H ATOM 27876 H2 TIP3 988 68.961 26.127 9.700 1.00 0.00 WT2 H ATOM 27877 OH2 TIP3 989 33.555 77.182 50.262 1.00 0.00 WT2 O ATOM 27878 H1 TIP3 989 32.827 76.707 50.663 1.00 0.00 WT2 H ATOM 27879 H2 TIP3 989 34.067 76.506 49.817 1.00 0.00 WT2 H ATOM 27880 OH2 TIP3 990 52.348 88.023 10.220 1.00 0.00 WT2 O ATOM 27881 H1 TIP3 990 52.390 88.306 11.133 1.00 0.00 WT2 H ATOM 27882 H2 TIP3 990 52.662 87.119 10.235 1.00 0.00 WT2 H ATOM 27883 OH2 TIP3 991 60.476 79.228 60.343 1.00 0.00 WT2 O ATOM 27884 H1 TIP3 991 61.091 79.637 60.952 1.00 0.00 WT2 H ATOM 27885 H2 TIP3 991 60.329 79.891 59.668 1.00 0.00 WT2 H ATOM 27886 OH2 TIP3 992 25.205 8.903 -5.879 1.00 0.00 WT2 O ATOM 27887 H1 TIP3 992 25.054 9.837 -5.736 1.00 0.00 WT2 H ATOM 27888 H2 TIP3 992 24.820 8.727 -6.737 1.00 0.00 WT2 H ATOM 27889 OH2 TIP3 995 53.083 93.619 59.554 1.00 0.00 WT2 O ATOM 27890 H1 TIP3 995 52.250 93.866 59.154 1.00 0.00 WT2 H ATOM 27891 H2 TIP3 995 53.546 93.136 58.869 1.00 0.00 WT2 H ATOM 27892 OH2 TIP3 1007 48.561 82.566 -3.699 1.00 0.00 WT2 O ATOM 27893 H1 TIP3 1007 48.094 81.740 -3.572 1.00 0.00 WT2 H ATOM 27894 H2 TIP3 1007 48.985 82.733 -2.857 1.00 0.00 WT2 H ATOM 27895 OH2 TIP3 1010 88.685 79.423 -16.702 1.00 0.00 WT2 O ATOM 27896 H1 TIP3 1010 88.196 78.600 -16.717 1.00 0.00 WT2 H ATOM 27897 H2 TIP3 1010 88.421 79.873 -17.504 1.00 0.00 WT2 H ATOM 27898 OH2 TIP3 1011 24.782 22.395 -3.880 1.00 0.00 WT2 O ATOM 27899 H1 TIP3 1011 24.286 22.573 -3.081 1.00 0.00 WT2 H ATOM 27900 H2 TIP3 1011 25.248 21.579 -3.697 1.00 0.00 WT2 H ATOM 27901 OH2 TIP3 1013 29.708 76.609 -6.810 1.00 0.00 WT2 O ATOM 27902 H1 TIP3 1013 29.055 77.210 -7.169 1.00 0.00 WT2 H ATOM 27903 H2 TIP3 1013 29.566 75.790 -7.283 1.00 0.00 WT2 H ATOM 27904 OH2 TIP3 1014 23.089 13.419 -0.055 1.00 0.00 WT2 O ATOM 27905 H1 TIP3 1014 23.739 13.615 -0.730 1.00 0.00 WT2 H ATOM 27906 H2 TIP3 1014 22.246 13.515 -0.499 1.00 0.00 WT2 H ATOM 27907 OH2 TIP3 1017 22.110 16.545 38.794 1.00 0.00 WT2 O ATOM 27908 H1 TIP3 1017 22.239 17.238 38.147 1.00 0.00 WT2 H ATOM 27909 H2 TIP3 1017 21.276 16.759 39.213 1.00 0.00 WT2 H ATOM 27910 OH2 TIP3 1018 28.334 32.399 64.095 1.00 0.00 WT2 O ATOM 27911 H1 TIP3 1018 28.199 33.344 64.034 1.00 0.00 WT2 H ATOM 27912 H2 TIP3 1018 28.343 32.218 65.035 1.00 0.00 WT2 H ATOM 27913 OH2 TIP3 1027 39.168 25.739 35.646 1.00 0.00 WT2 O ATOM 27914 H1 TIP3 1027 39.894 26.216 36.048 1.00 0.00 WT2 H ATOM 27915 H2 TIP3 1027 38.393 26.261 35.856 1.00 0.00 WT2 H ATOM 27916 OH2 TIP3 1032 54.627 6.978 -12.036 1.00 0.00 WT2 O ATOM 27917 H1 TIP3 1032 55.571 6.831 -12.097 1.00 0.00 WT2 H ATOM 27918 H2 TIP3 1032 54.373 7.280 -12.908 1.00 0.00 WT2 H ATOM 27919 OH2 TIP3 1033 30.361 37.181 26.951 1.00 0.00 WT2 O ATOM 27920 H1 TIP3 1033 30.671 37.683 26.197 1.00 0.00 WT2 H ATOM 27921 H2 TIP3 1033 29.753 36.541 26.580 1.00 0.00 WT2 H ATOM 27922 OH2 TIP3 1040 22.849 0.740 28.378 1.00 0.00 WT2 O ATOM 27923 H1 TIP3 1040 22.083 1.202 28.717 1.00 0.00 WT2 H ATOM 27924 H2 TIP3 1040 23.423 0.638 29.137 1.00 0.00 WT2 H ATOM 27925 OH2 TIP3 1051 38.812 27.150 7.817 1.00 0.00 WT2 O ATOM 27926 H1 TIP3 1051 39.184 27.340 6.956 1.00 0.00 WT2 H ATOM 27927 H2 TIP3 1051 38.419 27.978 8.096 1.00 0.00 WT2 H ATOM 27928 OH2 TIP3 1053 20.588 94.846 64.124 1.00 0.00 WT2 O ATOM 27929 H1 TIP3 1053 20.268 95.630 64.570 1.00 0.00 WT2 H ATOM 27930 H2 TIP3 1053 21.012 94.334 64.813 1.00 0.00 WT2 H ATOM 27931 OH2 TIP3 1054 37.346 25.181 9.679 1.00 0.00 WT2 O ATOM 27932 H1 TIP3 1054 37.990 25.625 9.127 1.00 0.00 WT2 H ATOM 27933 H2 TIP3 1054 37.815 24.993 10.492 1.00 0.00 WT2 H ATOM 27934 OH2 TIP3 1055 56.822 58.850 52.252 1.00 0.00 WT2 O ATOM 27935 H1 TIP3 1055 57.121 58.197 51.619 1.00 0.00 WT2 H ATOM 27936 H2 TIP3 1055 56.983 59.690 51.823 1.00 0.00 WT2 H ATOM 27937 OH2 TIP3 1058 57.782 87.191 23.311 1.00 0.00 WT2 O ATOM 27938 H1 TIP3 1058 56.970 87.276 23.810 1.00 0.00 WT2 H ATOM 27939 H2 TIP3 1058 57.508 87.228 22.395 1.00 0.00 WT2 H ATOM 27940 OH2 TIP3 1059 36.725 83.129 50.307 1.00 0.00 WT2 O ATOM 27941 H1 TIP3 1059 36.158 82.776 50.992 1.00 0.00 WT2 H ATOM 27942 H2 TIP3 1059 36.782 84.064 50.500 1.00 0.00 WT2 H ATOM 27943 OH2 TIP3 1072 79.210 34.369 30.377 1.00 0.00 WT2 O ATOM 27944 H1 TIP3 1072 79.639 34.423 31.231 1.00 0.00 WT2 H ATOM 27945 H2 TIP3 1072 79.872 34.672 29.756 1.00 0.00 WT2 H ATOM 27946 OH2 TIP3 1075 71.189 66.467 61.147 1.00 0.00 WT2 O ATOM 27947 H1 TIP3 1075 70.838 66.057 61.938 1.00 0.00 WT2 H ATOM 27948 H2 TIP3 1075 71.054 65.815 60.459 1.00 0.00 WT2 H ATOM 27949 OH2 TIP3 1076 69.419 61.999 36.586 1.00 0.00 WT2 O ATOM 27950 H1 TIP3 1076 69.814 61.770 35.745 1.00 0.00 WT2 H ATOM 27951 H2 TIP3 1076 68.476 61.936 36.433 1.00 0.00 WT2 H ATOM 27952 OH2 TIP3 1077 28.291 27.217 -3.836 1.00 0.00 WT2 O ATOM 27953 H1 TIP3 1077 28.000 27.959 -4.366 1.00 0.00 WT2 H ATOM 27954 H2 TIP3 1077 29.022 27.561 -3.323 1.00 0.00 WT2 H ATOM 27955 OH2 TIP3 1092 67.251 1.803 34.886 1.00 0.00 WT2 O ATOM 27956 H1 TIP3 1092 67.301 1.375 34.031 1.00 0.00 WT2 H ATOM 27957 H2 TIP3 1092 68.128 2.159 35.028 1.00 0.00 WT2 H ATOM 27958 OH2 TIP3 1094 57.111 24.449 53.617 1.00 0.00 WT2 O ATOM 27959 H1 TIP3 1094 57.874 23.873 53.565 1.00 0.00 WT2 H ATOM 27960 H2 TIP3 1094 57.357 25.116 54.258 1.00 0.00 WT2 H ATOM 27961 OH2 TIP3 1096 62.668 59.060 40.619 1.00 0.00 WT2 O ATOM 27962 H1 TIP3 1096 61.901 58.975 41.184 1.00 0.00 WT2 H ATOM 27963 H2 TIP3 1096 62.562 58.371 39.964 1.00 0.00 WT2 H ATOM 27964 OH2 TIP3 1101 29.992 39.762 58.339 1.00 0.00 WT2 O ATOM 27965 H1 TIP3 1101 30.212 39.257 57.556 1.00 0.00 WT2 H ATOM 27966 H2 TIP3 1101 30.814 40.180 58.593 1.00 0.00 WT2 H ATOM 27967 OH2 TIP3 1112 54.476 49.820 -17.334 1.00 0.00 WT2 O ATOM 27968 H1 TIP3 1112 55.408 49.611 -17.397 1.00 0.00 WT2 H ATOM 27969 H2 TIP3 1112 54.412 50.401 -16.576 1.00 0.00 WT2 H ATOM 27970 OH2 TIP3 1113 31.291 94.011 59.011 1.00 0.00 WT2 O ATOM 27971 H1 TIP3 1113 30.833 93.720 59.800 1.00 0.00 WT2 H ATOM 27972 H2 TIP3 1113 31.798 93.248 58.733 1.00 0.00 WT2 H ATOM 27973 OH2 TIP3 1115 77.096 18.965 48.693 1.00 0.00 WT2 O ATOM 27974 H1 TIP3 1115 76.731 18.719 47.844 1.00 0.00 WT2 H ATOM 27975 H2 TIP3 1115 76.405 19.478 49.112 1.00 0.00 WT2 H ATOM 27976 OH2 TIP3 1117 48.261 8.123 55.805 1.00 0.00 WT2 O ATOM 27977 H1 TIP3 1117 47.812 8.968 55.834 1.00 0.00 WT2 H ATOM 27978 H2 TIP3 1117 47.642 7.509 56.199 1.00 0.00 WT2 H ATOM 27979 OH2 TIP3 1119 40.842 10.039 0.463 1.00 0.00 WT2 O ATOM 27980 H1 TIP3 1119 41.518 9.914 -0.202 1.00 0.00 WT2 H ATOM 27981 H2 TIP3 1119 41.243 9.726 1.274 1.00 0.00 WT2 H ATOM 27982 OH2 TIP3 1122 54.834 32.745 41.941 1.00 0.00 WT2 O ATOM 27983 H1 TIP3 1122 54.280 33.448 41.602 1.00 0.00 WT2 H ATOM 27984 H2 TIP3 1122 54.293 31.958 41.870 1.00 0.00 WT2 H ATOM 27985 OH2 TIP3 1134 79.944 75.520 64.481 1.00 0.00 WT2 O ATOM 27986 H1 TIP3 1134 80.100 76.429 64.226 1.00 0.00 WT2 H ATOM 27987 H2 TIP3 1134 79.775 75.065 63.657 1.00 0.00 WT2 H ATOM 27988 OH2 TIP3 1135 35.438 62.907 0.499 1.00 0.00 WT2 O ATOM 27989 H1 TIP3 1135 35.757 63.683 0.039 1.00 0.00 WT2 H ATOM 27990 H2 TIP3 1135 35.962 62.871 1.300 1.00 0.00 WT2 H ATOM 27991 OH2 TIP3 1137 57.387 42.108 56.891 1.00 0.00 WT2 O ATOM 27992 H1 TIP3 1137 56.469 42.379 56.914 1.00 0.00 WT2 H ATOM 27993 H2 TIP3 1137 57.861 42.830 57.304 1.00 0.00 WT2 H ATOM 27994 OH2 TIP3 1139 25.247 95.702 -7.309 1.00 0.00 WT2 O ATOM 27995 H1 TIP3 1139 26.120 95.556 -6.945 1.00 0.00 WT2 H ATOM 27996 H2 TIP3 1139 24.649 95.357 -6.646 1.00 0.00 WT2 H ATOM 27997 OH2 TIP3 1140 85.664 46.017 44.697 1.00 0.00 WT2 O ATOM 27998 H1 TIP3 1140 85.481 45.116 44.433 1.00 0.00 WT2 H ATOM 27999 H2 TIP3 1140 85.976 45.946 45.599 1.00 0.00 WT2 H ATOM 28000 OH2 TIP3 1155 68.186 58.077 -13.785 1.00 0.00 WT2 O ATOM 28001 H1 TIP3 1155 68.928 57.559 -13.472 1.00 0.00 WT2 H ATOM 28002 H2 TIP3 1155 68.504 58.491 -14.587 1.00 0.00 WT2 H ATOM 28003 OH2 TIP3 1157 32.966 42.215 62.193 1.00 0.00 WT2 O ATOM 28004 H1 TIP3 1157 32.108 42.638 62.228 1.00 0.00 WT2 H ATOM 28005 H2 TIP3 1157 32.934 41.550 62.881 1.00 0.00 WT2 H ATOM 28006 OH2 TIP3 1158 43.940 46.088 31.922 1.00 0.00 WT2 O ATOM 28007 H1 TIP3 1158 44.194 45.688 31.090 1.00 0.00 WT2 H ATOM 28008 H2 TIP3 1158 43.295 46.753 31.681 1.00 0.00 WT2 H ATOM 28009 OH2 TIP3 1159 42.629 47.097 52.548 1.00 0.00 WT2 O ATOM 28010 H1 TIP3 1159 42.517 46.223 52.174 1.00 0.00 WT2 H ATOM 28011 H2 TIP3 1159 42.403 46.993 53.472 1.00 0.00 WT2 H ATOM 28012 OH2 TIP3 1160 79.440 10.071 4.146 1.00 0.00 WT2 O ATOM 28013 H1 TIP3 1160 79.841 9.456 3.531 1.00 0.00 WT2 H ATOM 28014 H2 TIP3 1160 79.676 9.734 5.010 1.00 0.00 WT2 H ATOM 28015 OH2 TIP3 1162 64.472 39.281 -1.589 1.00 0.00 WT2 O ATOM 28016 H1 TIP3 1162 63.896 38.777 -2.164 1.00 0.00 WT2 H ATOM 28017 H2 TIP3 1162 65.123 39.664 -2.178 1.00 0.00 WT2 H ATOM 28018 OH2 TIP3 1163 86.668 45.645 47.062 1.00 0.00 WT2 O ATOM 28019 H1 TIP3 1163 86.236 45.108 47.725 1.00 0.00 WT2 H ATOM 28020 H2 TIP3 1163 87.234 46.235 47.561 1.00 0.00 WT2 H ATOM 28021 OH2 TIP3 1177 81.422 39.899 -19.180 1.00 0.00 WT2 O ATOM 28022 H1 TIP3 1177 81.308 40.847 -19.247 1.00 0.00 WT2 H ATOM 28023 H2 TIP3 1177 80.713 39.534 -19.710 1.00 0.00 WT2 H ATOM 28024 OH2 TIP3 1178 45.672 16.687 62.160 1.00 0.00 WT2 O ATOM 28025 H1 TIP3 1178 45.772 15.736 62.124 1.00 0.00 WT2 H ATOM 28026 H2 TIP3 1178 45.071 16.838 62.889 1.00 0.00 WT2 H ATOM 28027 OH2 TIP3 1179 37.220 19.273 63.557 1.00 0.00 WT2 O ATOM 28028 H1 TIP3 1179 37.420 18.369 63.800 1.00 0.00 WT2 H ATOM 28029 H2 TIP3 1179 37.020 19.231 62.622 1.00 0.00 WT2 H ATOM 28030 OH2 TIP3 1180 88.869 19.716 62.712 1.00 0.00 WT2 O ATOM 28031 H1 TIP3 1180 88.369 19.058 62.229 1.00 0.00 WT2 H ATOM 28032 H2 TIP3 1180 88.589 20.552 62.341 1.00 0.00 WT2 H ATOM 28033 OH2 TIP3 1181 28.200 37.792 63.578 1.00 0.00 WT2 O ATOM 28034 H1 TIP3 1181 27.757 36.996 63.283 1.00 0.00 WT2 H ATOM 28035 H2 TIP3 1181 29.082 37.503 63.810 1.00 0.00 WT2 H ATOM 28036 OH2 TIP3 1183 33.169 70.564 22.996 1.00 0.00 WT2 O ATOM 28037 H1 TIP3 1183 33.130 69.752 22.490 1.00 0.00 WT2 H ATOM 28038 H2 TIP3 1183 33.503 70.298 23.853 1.00 0.00 WT2 H ATOM 28039 OH2 TIP3 1185 37.428 84.035 66.253 1.00 0.00 WT2 O ATOM 28040 H1 TIP3 1185 38.221 83.506 66.342 1.00 0.00 WT2 H ATOM 28041 H2 TIP3 1185 37.408 84.283 65.329 1.00 0.00 WT2 H ATOM 28042 OH2 TIP3 1197 69.965 12.884 60.489 1.00 0.00 WT2 O ATOM 28043 H1 TIP3 1197 69.565 12.756 59.629 1.00 0.00 WT2 H ATOM 28044 H2 TIP3 1197 69.797 12.065 60.956 1.00 0.00 WT2 H ATOM 28045 OH2 TIP3 1200 86.235 60.955 -14.645 1.00 0.00 WT2 O ATOM 28046 H1 TIP3 1200 85.957 60.934 -15.560 1.00 0.00 WT2 H ATOM 28047 H2 TIP3 1200 85.432 60.806 -14.146 1.00 0.00 WT2 H ATOM 28048 OH2 TIP3 1201 77.934 50.155 27.909 1.00 0.00 WT2 O ATOM 28049 H1 TIP3 1201 77.643 50.960 27.480 1.00 0.00 WT2 H ATOM 28050 H2 TIP3 1201 77.334 50.046 28.647 1.00 0.00 WT2 H ATOM 28051 OH2 TIP3 1202 86.153 14.573 -19.018 1.00 0.00 WT2 O ATOM 28052 H1 TIP3 1202 86.622 14.112 -18.322 1.00 0.00 WT2 H ATOM 28053 H2 TIP3 1202 86.646 15.383 -19.144 1.00 0.00 WT2 H ATOM 28054 OH2 TIP3 1203 44.732 34.107 -3.978 1.00 0.00 WT2 O ATOM 28055 H1 TIP3 1203 43.812 33.846 -3.967 1.00 0.00 WT2 H ATOM 28056 H2 TIP3 1203 44.767 34.888 -3.424 1.00 0.00 WT2 H ATOM 28057 OH2 TIP3 1205 70.300 31.948 -2.207 1.00 0.00 WT2 O ATOM 28058 H1 TIP3 1205 69.557 31.879 -2.806 1.00 0.00 WT2 H ATOM 28059 H2 TIP3 1205 70.395 31.069 -1.841 1.00 0.00 WT2 H ATOM 28060 OH2 TIP3 1208 66.768 73.204 -15.207 1.00 0.00 WT2 O ATOM 28061 H1 TIP3 1208 65.844 72.982 -15.324 1.00 0.00 WT2 H ATOM 28062 H2 TIP3 1208 67.097 73.340 -16.095 1.00 0.00 WT2 H ATOM 28063 OH2 TIP3 1219 56.587 8.601 64.453 1.00 0.00 WT2 O ATOM 28064 H1 TIP3 1219 56.712 8.438 65.388 1.00 0.00 WT2 H ATOM 28065 H2 TIP3 1219 56.225 7.782 64.114 1.00 0.00 WT2 H ATOM 28066 OH2 TIP3 1220 37.768 53.786 30.854 1.00 0.00 WT2 O ATOM 28067 H1 TIP3 1220 38.507 53.522 30.305 1.00 0.00 WT2 H ATOM 28068 H2 TIP3 1220 37.150 54.192 30.246 1.00 0.00 WT2 H ATOM 28069 OH2 TIP3 1222 35.679 54.165 26.129 1.00 0.00 WT2 O ATOM 28070 H1 TIP3 1222 35.383 53.601 25.414 1.00 0.00 WT2 H ATOM 28071 H2 TIP3 1222 35.939 54.980 25.701 1.00 0.00 WT2 H ATOM 28072 OH2 TIP3 1223 57.555 17.613 -14.576 1.00 0.00 WT2 O ATOM 28073 H1 TIP3 1223 56.665 17.948 -14.462 1.00 0.00 WT2 H ATOM 28074 H2 TIP3 1223 58.115 18.285 -14.186 1.00 0.00 WT2 H ATOM 28075 OH2 TIP3 1224 65.525 12.941 21.228 1.00 0.00 WT2 O ATOM 28076 H1 TIP3 1224 65.170 13.786 20.952 1.00 0.00 WT2 H ATOM 28077 H2 TIP3 1224 66.046 13.142 22.005 1.00 0.00 WT2 H ATOM 28078 OH2 TIP3 1225 21.435 71.258 61.490 1.00 0.00 WT2 O ATOM 28079 H1 TIP3 1225 20.487 71.234 61.619 1.00 0.00 WT2 H ATOM 28080 H2 TIP3 1225 21.715 72.066 61.920 1.00 0.00 WT2 H ATOM 28081 OH2 TIP3 1226 52.812 7.507 15.892 1.00 0.00 WT2 O ATOM 28082 H1 TIP3 1226 53.442 8.169 16.178 1.00 0.00 WT2 H ATOM 28083 H2 TIP3 1226 52.008 7.999 15.723 1.00 0.00 WT2 H ATOM 28084 OH2 TIP3 1227 69.057 25.530 60.487 1.00 0.00 WT2 O ATOM 28085 H1 TIP3 1227 69.957 25.213 60.563 1.00 0.00 WT2 H ATOM 28086 H2 TIP3 1227 68.588 25.096 61.199 1.00 0.00 WT2 H ATOM 28087 OH2 TIP3 1240 49.084 29.855 17.744 1.00 0.00 WT2 O ATOM 28088 H1 TIP3 1240 48.646 29.034 17.970 1.00 0.00 WT2 H ATOM 28089 H2 TIP3 1240 48.910 30.432 18.488 1.00 0.00 WT2 H ATOM 28090 OH2 TIP3 1241 42.144 96.446 49.441 1.00 0.00 WT2 O ATOM 28091 H1 TIP3 1241 41.242 96.180 49.263 1.00 0.00 WT2 H ATOM 28092 H2 TIP3 1241 42.680 95.762 49.040 1.00 0.00 WT2 H ATOM 28093 OH2 TIP3 1242 78.099 43.798 -5.492 1.00 0.00 WT2 O ATOM 28094 H1 TIP3 1242 78.495 43.889 -4.625 1.00 0.00 WT2 H ATOM 28095 H2 TIP3 1242 77.317 44.350 -5.457 1.00 0.00 WT2 H ATOM 28096 OH2 TIP3 1243 38.581 33.955 9.689 1.00 0.00 WT2 O ATOM 28097 H1 TIP3 1243 38.346 34.856 9.467 1.00 0.00 WT2 H ATOM 28098 H2 TIP3 1243 38.740 33.973 10.633 1.00 0.00 WT2 H ATOM 28099 OH2 TIP3 1244 83.976 25.840 -1.965 1.00 0.00 WT2 O ATOM 28100 H1 TIP3 1244 84.560 26.341 -1.396 1.00 0.00 WT2 H ATOM 28101 H2 TIP3 1244 83.786 26.431 -2.693 1.00 0.00 WT2 H ATOM 28102 OH2 TIP3 1247 85.285 24.254 10.390 1.00 0.00 WT2 O ATOM 28103 H1 TIP3 1247 85.425 25.200 10.417 1.00 0.00 WT2 H ATOM 28104 H2 TIP3 1247 86.135 23.878 10.618 1.00 0.00 WT2 H ATOM 28105 OH2 TIP3 1258 68.412 53.410 62.096 1.00 0.00 WT2 O ATOM 28106 H1 TIP3 1258 69.255 53.570 62.521 1.00 0.00 WT2 H ATOM 28107 H2 TIP3 1258 68.481 53.853 61.251 1.00 0.00 WT2 H ATOM 28108 OH2 TIP3 1263 79.555 74.277 62.159 1.00 0.00 WT2 O ATOM 28109 H1 TIP3 1263 79.296 74.494 61.263 1.00 0.00 WT2 H ATOM 28110 H2 TIP3 1263 79.813 73.357 62.118 1.00 0.00 WT2 H ATOM 28111 OH2 TIP3 1265 88.652 61.009 5.589 1.00 0.00 WT2 O ATOM 28112 H1 TIP3 1265 88.537 60.257 5.007 1.00 0.00 WT2 H ATOM 28113 H2 TIP3 1265 89.388 60.767 6.151 1.00 0.00 WT2 H ATOM 28114 OH2 TIP3 1266 46.503 44.257 9.148 1.00 0.00 WT2 O ATOM 28115 H1 TIP3 1266 47.327 43.862 9.433 1.00 0.00 WT2 H ATOM 28116 H2 TIP3 1266 46.109 44.597 9.952 1.00 0.00 WT2 H ATOM 28117 OH2 TIP3 1267 76.631 33.288 21.462 1.00 0.00 WT2 O ATOM 28118 H1 TIP3 1267 76.974 32.471 21.100 1.00 0.00 WT2 H ATOM 28119 H2 TIP3 1267 75.688 33.143 21.528 1.00 0.00 WT2 H ATOM 28120 OH2 TIP3 1268 69.814 28.179 59.416 1.00 0.00 WT2 O ATOM 28121 H1 TIP3 1268 69.401 28.536 60.202 1.00 0.00 WT2 H ATOM 28122 H2 TIP3 1268 69.631 27.240 59.453 1.00 0.00 WT2 H ATOM 28123 OH2 TIP3 1271 35.209 33.477 30.650 1.00 0.00 WT2 O ATOM 28124 H1 TIP3 1271 35.790 34.237 30.669 1.00 0.00 WT2 H ATOM 28125 H2 TIP3 1271 35.067 33.259 31.571 1.00 0.00 WT2 H ATOM 28126 OH2 TIP3 1281 79.157 91.481 46.478 1.00 0.00 WT2 O ATOM 28127 H1 TIP3 1281 78.249 91.388 46.191 1.00 0.00 WT2 H ATOM 28128 H2 TIP3 1281 79.472 92.264 46.028 1.00 0.00 WT2 H ATOM 28129 OH2 TIP3 1283 47.073 52.124 40.506 1.00 0.00 WT2 O ATOM 28130 H1 TIP3 1283 47.280 53.028 40.741 1.00 0.00 WT2 H ATOM 28131 H2 TIP3 1283 47.431 52.017 39.624 1.00 0.00 WT2 H ATOM 28132 OH2 TIP3 1284 83.959 75.002 -10.921 1.00 0.00 WT2 O ATOM 28133 H1 TIP3 1284 84.320 74.890 -10.042 1.00 0.00 WT2 H ATOM 28134 H2 TIP3 1284 84.308 75.842 -11.219 1.00 0.00 WT2 H ATOM 28135 OH2 TIP3 1285 51.838 60.263 65.953 1.00 0.00 WT2 O ATOM 28136 H1 TIP3 1285 51.832 60.938 65.275 1.00 0.00 WT2 H ATOM 28137 H2 TIP3 1285 51.440 59.499 65.535 1.00 0.00 WT2 H ATOM 28138 OH2 TIP3 1286 47.725 10.724 2.876 1.00 0.00 WT2 O ATOM 28139 H1 TIP3 1286 47.550 10.078 3.561 1.00 0.00 WT2 H ATOM 28140 H2 TIP3 1286 47.126 11.445 3.069 1.00 0.00 WT2 H ATOM 28141 OH2 TIP3 1301 84.808 25.334 41.048 1.00 0.00 WT2 O ATOM 28142 H1 TIP3 1301 84.067 25.150 41.625 1.00 0.00 WT2 H ATOM 28143 H2 TIP3 1301 85.085 26.218 41.289 1.00 0.00 WT2 H ATOM 28144 OH2 TIP3 1303 73.988 92.367 -15.266 1.00 0.00 WT2 O ATOM 28145 H1 TIP3 1303 73.896 91.543 -14.788 1.00 0.00 WT2 H ATOM 28146 H2 TIP3 1303 74.930 92.457 -15.411 1.00 0.00 WT2 H ATOM 28147 OH2 TIP3 1304 81.867 8.383 41.899 1.00 0.00 WT2 O ATOM 28148 H1 TIP3 1304 81.460 9.248 41.950 1.00 0.00 WT2 H ATOM 28149 H2 TIP3 1304 81.821 8.042 42.792 1.00 0.00 WT2 H ATOM 28150 OH2 TIP3 1305 21.226 4.533 32.620 1.00 0.00 WT2 O ATOM 28151 H1 TIP3 1305 20.834 5.361 32.899 1.00 0.00 WT2 H ATOM 28152 H2 TIP3 1305 21.801 4.773 31.893 1.00 0.00 WT2 H ATOM 28153 OH2 TIP3 1306 61.598 32.485 49.651 1.00 0.00 WT2 O ATOM 28154 H1 TIP3 1306 61.099 32.086 48.938 1.00 0.00 WT2 H ATOM 28155 H2 TIP3 1306 62.513 32.389 49.386 1.00 0.00 WT2 H ATOM 28156 OH2 TIP3 1307 53.569 85.771 -5.867 1.00 0.00 WT2 O ATOM 28157 H1 TIP3 1307 53.418 85.698 -6.809 1.00 0.00 WT2 H ATOM 28158 H2 TIP3 1307 52.708 85.621 -5.474 1.00 0.00 WT2 H ATOM 28159 OH2 TIP3 1308 65.712 57.264 19.135 1.00 0.00 WT2 O ATOM 28160 H1 TIP3 1308 65.139 57.746 18.539 1.00 0.00 WT2 H ATOM 28161 H2 TIP3 1308 65.198 56.500 19.396 1.00 0.00 WT2 H ATOM 28162 OH2 TIP3 1322 28.474 42.521 47.337 1.00 0.00 WT2 O ATOM 28163 H1 TIP3 1322 28.912 41.672 47.278 1.00 0.00 WT2 H ATOM 28164 H2 TIP3 1322 27.631 42.386 46.904 1.00 0.00 WT2 H ATOM 28165 OH2 TIP3 1324 41.343 57.378 44.327 1.00 0.00 WT2 O ATOM 28166 H1 TIP3 1324 42.140 56.849 44.287 1.00 0.00 WT2 H ATOM 28167 H2 TIP3 1324 41.150 57.590 43.414 1.00 0.00 WT2 H ATOM 28168 OH2 TIP3 1326 89.356 18.358 52.810 1.00 0.00 WT2 O ATOM 28169 H1 TIP3 1326 89.282 18.803 51.966 1.00 0.00 WT2 H ATOM 28170 H2 TIP3 1326 90.256 18.527 53.091 1.00 0.00 WT2 H ATOM 28171 OH2 TIP3 1327 87.962 25.329 51.717 1.00 0.00 WT2 O ATOM 28172 H1 TIP3 1327 88.743 25.715 51.322 1.00 0.00 WT2 H ATOM 28173 H2 TIP3 1327 88.297 24.623 52.270 1.00 0.00 WT2 H ATOM 28174 OH2 TIP3 1328 53.219 12.776 26.102 1.00 0.00 WT2 O ATOM 28175 H1 TIP3 1328 54.060 13.186 26.304 1.00 0.00 WT2 H ATOM 28176 H2 TIP3 1328 53.433 11.857 25.939 1.00 0.00 WT2 H ATOM 28177 OH2 TIP3 1329 52.483 3.072 40.403 1.00 0.00 WT2 O ATOM 28178 H1 TIP3 1329 53.033 3.854 40.460 1.00 0.00 WT2 H ATOM 28179 H2 TIP3 1329 52.990 2.461 39.868 1.00 0.00 WT2 H ATOM 28180 OH2 TIP3 1330 82.414 43.930 64.462 1.00 0.00 WT2 O ATOM 28181 H1 TIP3 1330 81.845 44.300 65.138 1.00 0.00 WT2 H ATOM 28182 H2 TIP3 1330 81.893 43.975 63.660 1.00 0.00 WT2 H ATOM 28183 OH2 TIP3 1333 23.029 40.518 36.793 1.00 0.00 WT2 O ATOM 28184 H1 TIP3 1333 23.327 40.673 35.897 1.00 0.00 WT2 H ATOM 28185 H2 TIP3 1333 22.169 40.109 36.692 1.00 0.00 WT2 H ATOM 28186 OH2 TIP3 1344 55.243 70.395 -17.434 1.00 0.00 WT2 O ATOM 28187 H1 TIP3 1344 55.028 71.308 -17.624 1.00 0.00 WT2 H ATOM 28188 H2 TIP3 1344 54.740 70.189 -16.646 1.00 0.00 WT2 H ATOM 28189 OH2 TIP3 1345 29.516 61.864 48.369 1.00 0.00 WT2 O ATOM 28190 H1 TIP3 1345 30.370 61.432 48.371 1.00 0.00 WT2 H ATOM 28191 H2 TIP3 1345 29.045 61.460 47.641 1.00 0.00 WT2 H ATOM 28192 OH2 TIP3 1346 45.037 5.265 43.625 1.00 0.00 WT2 O ATOM 28193 H1 TIP3 1346 45.324 6.112 43.284 1.00 0.00 WT2 H ATOM 28194 H2 TIP3 1346 45.753 4.979 44.192 1.00 0.00 WT2 H ATOM 28195 OH2 TIP3 1347 24.746 13.033 36.896 1.00 0.00 WT2 O ATOM 28196 H1 TIP3 1347 24.656 13.939 37.191 1.00 0.00 WT2 H ATOM 28197 H2 TIP3 1347 24.842 13.098 35.946 1.00 0.00 WT2 H ATOM 28198 OH2 TIP3 1349 33.167 37.136 63.028 1.00 0.00 WT2 O ATOM 28199 H1 TIP3 1349 33.643 37.622 63.701 1.00 0.00 WT2 H ATOM 28200 H2 TIP3 1349 33.342 36.216 63.227 1.00 0.00 WT2 H ATOM 28201 OH2 TIP3 1350 80.312 15.416 44.569 1.00 0.00 WT2 O ATOM 28202 H1 TIP3 1350 81.228 15.645 44.411 1.00 0.00 WT2 H ATOM 28203 H2 TIP3 1350 79.942 15.291 43.695 1.00 0.00 WT2 H ATOM 28204 OH2 TIP3 1351 87.241 10.647 -13.311 1.00 0.00 WT2 O ATOM 28205 H1 TIP3 1351 87.499 10.559 -12.393 1.00 0.00 WT2 H ATOM 28206 H2 TIP3 1351 87.286 11.587 -13.484 1.00 0.00 WT2 H ATOM 28207 OH2 TIP3 1352 65.377 83.812 -4.872 1.00 0.00 WT2 O ATOM 28208 H1 TIP3 1352 64.906 83.850 -5.704 1.00 0.00 WT2 H ATOM 28209 H2 TIP3 1352 64.727 83.500 -4.243 1.00 0.00 WT2 H ATOM 28210 OH2 TIP3 1353 73.831 60.694 -16.424 1.00 0.00 WT2 O ATOM 28211 H1 TIP3 1353 72.991 61.097 -16.202 1.00 0.00 WT2 H ATOM 28212 H2 TIP3 1353 74.399 60.897 -15.681 1.00 0.00 WT2 H ATOM 28213 OH2 TIP3 1354 23.239 31.865 -10.726 1.00 0.00 WT2 O ATOM 28214 H1 TIP3 1354 23.109 32.252 -11.592 1.00 0.00 WT2 H ATOM 28215 H2 TIP3 1354 22.355 31.673 -10.414 1.00 0.00 WT2 H ATOM 28216 OH2 TIP3 1367 75.413 10.247 39.841 1.00 0.00 WT2 O ATOM 28217 H1 TIP3 1367 74.962 10.490 40.649 1.00 0.00 WT2 H ATOM 28218 H2 TIP3 1367 74.856 9.574 39.448 1.00 0.00 WT2 H ATOM 28219 OH2 TIP3 1368 46.019 80.193 18.182 1.00 0.00 WT2 O ATOM 28220 H1 TIP3 1368 45.501 79.387 18.187 1.00 0.00 WT2 H ATOM 28221 H2 TIP3 1368 46.319 80.279 17.277 1.00 0.00 WT2 H ATOM 28222 OH2 TIP3 1370 80.749 66.161 34.945 1.00 0.00 WT2 O ATOM 28223 H1 TIP3 1370 80.865 67.106 35.046 1.00 0.00 WT2 H ATOM 28224 H2 TIP3 1370 80.520 65.853 35.822 1.00 0.00 WT2 H ATOM 28225 OH2 TIP3 1371 59.528 50.651 -13.682 1.00 0.00 WT2 O ATOM 28226 H1 TIP3 1371 59.776 49.802 -14.050 1.00 0.00 WT2 H ATOM 28227 H2 TIP3 1371 60.291 51.209 -13.831 1.00 0.00 WT2 H ATOM 28228 OH2 TIP3 1373 61.575 33.536 31.480 1.00 0.00 WT2 O ATOM 28229 H1 TIP3 1373 61.956 34.120 30.823 1.00 0.00 WT2 H ATOM 28230 H2 TIP3 1373 60.690 33.361 31.161 1.00 0.00 WT2 H ATOM 28231 OH2 TIP3 1374 89.226 82.985 47.956 1.00 0.00 WT2 O ATOM 28232 H1 TIP3 1374 89.578 82.171 48.316 1.00 0.00 WT2 H ATOM 28233 H2 TIP3 1374 89.281 82.871 47.007 1.00 0.00 WT2 H ATOM 28234 OH2 TIP3 1375 79.633 28.079 38.864 1.00 0.00 WT2 O ATOM 28235 H1 TIP3 1375 79.102 27.796 38.120 1.00 0.00 WT2 H ATOM 28236 H2 TIP3 1375 80.507 27.734 38.680 1.00 0.00 WT2 H ATOM 28237 OH2 TIP3 1386 80.677 28.453 -2.058 1.00 0.00 WT2 O ATOM 28238 H1 TIP3 1386 81.622 28.321 -2.139 1.00 0.00 WT2 H ATOM 28239 H2 TIP3 1386 80.589 29.292 -1.608 1.00 0.00 WT2 H ATOM 28240 OH2 TIP3 1387 26.438 74.105 57.665 1.00 0.00 WT2 O ATOM 28241 H1 TIP3 1387 25.884 73.383 57.964 1.00 0.00 WT2 H ATOM 28242 H2 TIP3 1387 27.332 73.785 57.782 1.00 0.00 WT2 H ATOM 28243 OH2 TIP3 1388 68.093 37.911 -15.474 1.00 0.00 WT2 O ATOM 28244 H1 TIP3 1388 69.036 37.948 -15.634 1.00 0.00 WT2 H ATOM 28245 H2 TIP3 1388 67.871 36.983 -15.556 1.00 0.00 WT2 H ATOM 28246 OH2 TIP3 1389 56.286 18.429 20.646 1.00 0.00 WT2 O ATOM 28247 H1 TIP3 1389 55.563 19.053 20.707 1.00 0.00 WT2 H ATOM 28248 H2 TIP3 1389 57.011 18.857 21.103 1.00 0.00 WT2 H ATOM 28249 OH2 TIP3 1392 33.857 0.421 4.685 1.00 0.00 WT2 O ATOM 28250 H1 TIP3 1392 34.291 0.982 5.328 1.00 0.00 WT2 H ATOM 28251 H2 TIP3 1392 33.230 0.998 4.248 1.00 0.00 WT2 H ATOM 28252 OH2 TIP3 1393 21.796 81.458 47.482 1.00 0.00 WT2 O ATOM 28253 H1 TIP3 1393 22.314 82.260 47.420 1.00 0.00 WT2 H ATOM 28254 H2 TIP3 1393 22.344 80.857 47.987 1.00 0.00 WT2 H ATOM 28255 OH2 TIP3 1407 24.075 31.548 62.691 1.00 0.00 WT2 O ATOM 28256 H1 TIP3 1407 23.120 31.573 62.754 1.00 0.00 WT2 H ATOM 28257 H2 TIP3 1407 24.352 32.444 62.880 1.00 0.00 WT2 H ATOM 28258 OH2 TIP3 1408 23.774 40.319 34.194 1.00 0.00 WT2 O ATOM 28259 H1 TIP3 1408 23.923 41.201 33.853 1.00 0.00 WT2 H ATOM 28260 H2 TIP3 1408 23.816 39.753 33.423 1.00 0.00 WT2 H ATOM 28261 OH2 TIP3 1411 90.354 29.967 -15.855 1.00 0.00 WT2 O ATOM 28262 H1 TIP3 1411 90.026 29.068 -15.877 1.00 0.00 WT2 H ATOM 28263 H2 TIP3 1411 89.577 30.510 -15.992 1.00 0.00 WT2 H ATOM 28264 OH2 TIP3 1412 32.049 8.213 21.855 1.00 0.00 WT2 O ATOM 28265 H1 TIP3 1412 32.925 8.244 22.239 1.00 0.00 WT2 H ATOM 28266 H2 TIP3 1412 32.170 8.522 20.957 1.00 0.00 WT2 H ATOM 28267 OH2 TIP3 1413 49.752 9.528 43.194 1.00 0.00 WT2 O ATOM 28268 H1 TIP3 1413 50.133 8.994 43.891 1.00 0.00 WT2 H ATOM 28269 H2 TIP3 1413 49.244 8.910 42.668 1.00 0.00 WT2 H ATOM 28270 OH2 TIP3 1414 81.455 85.173 56.931 1.00 0.00 WT2 O ATOM 28271 H1 TIP3 1414 81.359 85.530 56.048 1.00 0.00 WT2 H ATOM 28272 H2 TIP3 1414 80.951 85.767 57.487 1.00 0.00 WT2 H ATOM 28273 OH2 TIP3 1415 46.341 63.545 -0.907 1.00 0.00 WT2 O ATOM 28274 H1 TIP3 1415 47.175 63.885 -1.230 1.00 0.00 WT2 H ATOM 28275 H2 TIP3 1415 46.584 62.885 -0.259 1.00 0.00 WT2 H ATOM 28276 OH2 TIP3 1418 36.361 40.812 65.645 1.00 0.00 WT2 O ATOM 28277 H1 TIP3 1418 35.982 40.734 66.521 1.00 0.00 WT2 H ATOM 28278 H2 TIP3 1418 37.063 41.455 65.744 1.00 0.00 WT2 H ATOM 28279 OH2 TIP3 1425 35.171 84.035 34.484 1.00 0.00 WT2 O ATOM 28280 H1 TIP3 1425 34.376 84.564 34.546 1.00 0.00 WT2 H ATOM 28281 H2 TIP3 1425 35.006 83.438 33.755 1.00 0.00 WT2 H ATOM 28282 OH2 TIP3 1427 58.665 9.318 45.443 1.00 0.00 WT2 O ATOM 28283 H1 TIP3 1427 58.782 8.373 45.544 1.00 0.00 WT2 H ATOM 28284 H2 TIP3 1427 58.860 9.678 46.308 1.00 0.00 WT2 H ATOM 28285 OH2 TIP3 1428 58.041 69.879 -16.825 1.00 0.00 WT2 O ATOM 28286 H1 TIP3 1428 57.261 70.288 -17.200 1.00 0.00 WT2 H ATOM 28287 H2 TIP3 1428 58.723 70.012 -17.483 1.00 0.00 WT2 H ATOM 28288 OH2 TIP3 1429 83.516 71.609 18.199 1.00 0.00 WT2 O ATOM 28289 H1 TIP3 1429 83.099 70.959 18.765 1.00 0.00 WT2 H ATOM 28290 H2 TIP3 1429 83.418 71.255 17.315 1.00 0.00 WT2 H ATOM 28291 OH2 TIP3 1430 69.096 5.687 45.507 1.00 0.00 WT2 O ATOM 28292 H1 TIP3 1430 68.755 5.872 44.631 1.00 0.00 WT2 H ATOM 28293 H2 TIP3 1430 69.599 4.879 45.402 1.00 0.00 WT2 H ATOM 28294 OH2 TIP3 1431 62.498 20.941 57.585 1.00 0.00 WT2 O ATOM 28295 H1 TIP3 1431 61.726 21.441 57.322 1.00 0.00 WT2 H ATOM 28296 H2 TIP3 1431 62.540 20.218 56.959 1.00 0.00 WT2 H ATOM 28297 OH2 TIP3 1432 55.737 72.046 -5.636 1.00 0.00 WT2 O ATOM 28298 H1 TIP3 1432 56.372 72.557 -5.134 1.00 0.00 WT2 H ATOM 28299 H2 TIP3 1432 55.374 72.668 -6.267 1.00 0.00 WT2 H ATOM 28300 OH2 TIP3 1433 80.327 66.787 49.815 1.00 0.00 WT2 O ATOM 28301 H1 TIP3 1433 79.464 66.385 49.914 1.00 0.00 WT2 H ATOM 28302 H2 TIP3 1433 80.935 66.144 50.180 1.00 0.00 WT2 H ATOM 28303 OH2 TIP3 1435 51.076 15.416 32.284 1.00 0.00 WT2 O ATOM 28304 H1 TIP3 1435 51.940 15.012 32.204 1.00 0.00 WT2 H ATOM 28305 H2 TIP3 1435 50.884 15.386 33.221 1.00 0.00 WT2 H ATOM 28306 OH2 TIP3 1440 86.672 48.972 11.860 1.00 0.00 WT2 O ATOM 28307 H1 TIP3 1440 87.090 48.757 11.026 1.00 0.00 WT2 H ATOM 28308 H2 TIP3 1440 87.104 49.778 12.144 1.00 0.00 WT2 H ATOM 28309 OH2 TIP3 1450 39.380 30.488 48.220 1.00 0.00 WT2 O ATOM 28310 H1 TIP3 1450 38.790 30.105 48.869 1.00 0.00 WT2 H ATOM 28311 H2 TIP3 1450 39.865 29.742 47.868 1.00 0.00 WT2 H ATOM 28312 OH2 TIP3 1451 27.970 5.016 20.281 1.00 0.00 WT2 O ATOM 28313 H1 TIP3 1451 27.625 5.251 19.420 1.00 0.00 WT2 H ATOM 28314 H2 TIP3 1451 28.646 4.364 20.099 1.00 0.00 WT2 H ATOM 28315 OH2 TIP3 1452 66.515 10.817 60.633 1.00 0.00 WT2 O ATOM 28316 H1 TIP3 1452 65.986 11.373 61.204 1.00 0.00 WT2 H ATOM 28317 H2 TIP3 1452 66.936 10.194 61.226 1.00 0.00 WT2 H ATOM 28318 OH2 TIP3 1453 86.296 73.257 -15.710 1.00 0.00 WT2 O ATOM 28319 H1 TIP3 1453 86.523 72.636 -15.018 1.00 0.00 WT2 H ATOM 28320 H2 TIP3 1453 86.271 72.729 -16.508 1.00 0.00 WT2 H ATOM 28321 OH2 TIP3 1454 45.538 16.543 3.746 1.00 0.00 WT2 O ATOM 28322 H1 TIP3 1454 44.710 16.627 3.273 1.00 0.00 WT2 H ATOM 28323 H2 TIP3 1454 45.286 16.524 4.669 1.00 0.00 WT2 H ATOM 28324 OH2 TIP3 1457 53.019 27.940 38.421 1.00 0.00 WT2 O ATOM 28325 H1 TIP3 1457 52.195 27.465 38.533 1.00 0.00 WT2 H ATOM 28326 H2 TIP3 1457 53.505 27.771 39.228 1.00 0.00 WT2 H ATOM 28327 OH2 TIP3 1458 59.700 38.637 57.167 1.00 0.00 WT2 O ATOM 28328 H1 TIP3 1458 59.099 39.172 56.650 1.00 0.00 WT2 H ATOM 28329 H2 TIP3 1458 59.197 37.851 57.382 1.00 0.00 WT2 H ATOM 28330 OH2 TIP3 1466 30.498 44.063 57.112 1.00 0.00 WT2 O ATOM 28331 H1 TIP3 1466 30.512 45.010 57.256 1.00 0.00 WT2 H ATOM 28332 H2 TIP3 1466 31.371 43.769 57.372 1.00 0.00 WT2 H ATOM 28333 OH2 TIP3 1471 67.855 32.859 5.230 1.00 0.00 WT2 O ATOM 28334 H1 TIP3 1471 67.029 33.294 5.441 1.00 0.00 WT2 H ATOM 28335 H2 TIP3 1471 67.829 32.741 4.280 1.00 0.00 WT2 H ATOM 28336 OH2 TIP3 1474 35.151 13.483 56.978 1.00 0.00 WT2 O ATOM 28337 H1 TIP3 1474 35.499 13.116 57.791 1.00 0.00 WT2 H ATOM 28338 H2 TIP3 1474 35.909 13.881 56.550 1.00 0.00 WT2 H ATOM 28339 OH2 TIP3 1477 88.383 29.326 27.478 1.00 0.00 WT2 O ATOM 28340 H1 TIP3 1477 88.364 30.273 27.339 1.00 0.00 WT2 H ATOM 28341 H2 TIP3 1477 89.123 29.021 26.953 1.00 0.00 WT2 H ATOM 28342 OH2 TIP3 1478 53.825 38.118 -10.220 1.00 0.00 WT2 O ATOM 28343 H1 TIP3 1478 54.128 38.564 -9.429 1.00 0.00 WT2 H ATOM 28344 H2 TIP3 1478 53.150 38.694 -10.577 1.00 0.00 WT2 H ATOM 28345 OH2 TIP3 1480 39.796 27.232 -14.130 1.00 0.00 WT2 O ATOM 28346 H1 TIP3 1480 38.867 27.368 -14.315 1.00 0.00 WT2 H ATOM 28347 H2 TIP3 1480 40.083 28.050 -13.725 1.00 0.00 WT2 H ATOM 28348 OH2 TIP3 1492 24.892 44.143 45.652 1.00 0.00 WT2 O ATOM 28349 H1 TIP3 1492 24.373 44.390 46.417 1.00 0.00 WT2 H ATOM 28350 H2 TIP3 1492 24.258 44.094 44.937 1.00 0.00 WT2 H ATOM 28351 OH2 TIP3 1493 21.240 84.348 28.108 1.00 0.00 WT2 O ATOM 28352 H1 TIP3 1493 21.982 84.107 28.662 1.00 0.00 WT2 H ATOM 28353 H2 TIP3 1493 21.143 85.292 28.235 1.00 0.00 WT2 H ATOM 28354 OH2 TIP3 1494 26.558 70.817 42.418 1.00 0.00 WT2 O ATOM 28355 H1 TIP3 1494 26.325 70.072 42.972 1.00 0.00 WT2 H ATOM 28356 H2 TIP3 1494 26.197 71.577 42.874 1.00 0.00 WT2 H ATOM 28357 OH2 TIP3 1496 76.634 10.991 8.355 1.00 0.00 WT2 O ATOM 28358 H1 TIP3 1496 77.577 10.851 8.441 1.00 0.00 WT2 H ATOM 28359 H2 TIP3 1496 76.425 11.640 9.027 1.00 0.00 WT2 H ATOM 28360 OH2 TIP3 1497 63.591 38.475 -18.598 1.00 0.00 WT2 O ATOM 28361 H1 TIP3 1497 64.425 38.087 -18.334 1.00 0.00 WT2 H ATOM 28362 H2 TIP3 1497 62.942 38.057 -18.032 1.00 0.00 WT2 H ATOM 28363 OH2 TIP3 1499 35.865 34.448 18.135 1.00 0.00 WT2 O ATOM 28364 H1 TIP3 1499 36.505 35.050 18.515 1.00 0.00 WT2 H ATOM 28365 H2 TIP3 1499 36.394 33.786 17.690 1.00 0.00 WT2 H ATOM 28366 OH2 TIP3 1512 22.510 93.599 48.367 1.00 0.00 WT2 O ATOM 28367 H1 TIP3 1512 23.460 93.694 48.435 1.00 0.00 WT2 H ATOM 28368 H2 TIP3 1512 22.272 93.031 49.100 1.00 0.00 WT2 H ATOM 28369 OH2 TIP3 1514 22.475 69.227 44.520 1.00 0.00 WT2 O ATOM 28370 H1 TIP3 1514 21.684 68.724 44.712 1.00 0.00 WT2 H ATOM 28371 H2 TIP3 1514 22.808 68.849 43.706 1.00 0.00 WT2 H ATOM 28372 OH2 TIP3 1515 65.406 10.974 34.423 1.00 0.00 WT2 O ATOM 28373 H1 TIP3 1515 64.931 11.716 34.048 1.00 0.00 WT2 H ATOM 28374 H2 TIP3 1515 64.723 10.345 34.656 1.00 0.00 WT2 H ATOM 28375 OH2 TIP3 1519 78.198 2.502 -11.755 1.00 0.00 WT2 O ATOM 28376 H1 TIP3 1519 78.819 2.758 -11.074 1.00 0.00 WT2 H ATOM 28377 H2 TIP3 1519 77.339 2.714 -11.389 1.00 0.00 WT2 H ATOM 28378 OH2 TIP3 1531 33.692 19.928 1.055 1.00 0.00 WT2 O ATOM 28379 H1 TIP3 1531 34.116 20.093 0.213 1.00 0.00 WT2 H ATOM 28380 H2 TIP3 1531 33.886 20.707 1.578 1.00 0.00 WT2 H ATOM 28381 OH2 TIP3 1532 39.742 20.414 48.488 1.00 0.00 WT2 O ATOM 28382 H1 TIP3 1532 39.648 19.560 48.066 1.00 0.00 WT2 H ATOM 28383 H2 TIP3 1532 39.825 21.033 47.762 1.00 0.00 WT2 H ATOM 28384 OH2 TIP3 1534 41.340 8.802 35.720 1.00 0.00 WT2 O ATOM 28385 H1 TIP3 1534 41.543 9.595 35.224 1.00 0.00 WT2 H ATOM 28386 H2 TIP3 1534 42.000 8.778 36.413 1.00 0.00 WT2 H ATOM 28387 OH2 TIP3 1535 67.871 59.787 60.379 1.00 0.00 WT2 O ATOM 28388 H1 TIP3 1535 67.034 60.248 60.311 1.00 0.00 WT2 H ATOM 28389 H2 TIP3 1535 68.317 59.978 59.554 1.00 0.00 WT2 H ATOM 28390 OH2 TIP3 1536 57.786 63.876 57.509 1.00 0.00 WT2 O ATOM 28391 H1 TIP3 1536 56.966 63.732 57.982 1.00 0.00 WT2 H ATOM 28392 H2 TIP3 1536 57.584 63.639 56.603 1.00 0.00 WT2 H ATOM 28393 OH2 TIP3 1537 76.667 26.252 50.914 1.00 0.00 WT2 O ATOM 28394 H1 TIP3 1537 77.196 26.977 50.582 1.00 0.00 WT2 H ATOM 28395 H2 TIP3 1537 76.840 25.531 50.308 1.00 0.00 WT2 H ATOM 28396 OH2 TIP3 1538 24.417 58.750 -18.105 1.00 0.00 WT2 O ATOM 28397 H1 TIP3 1538 23.718 58.587 -18.738 1.00 0.00 WT2 H ATOM 28398 H2 TIP3 1538 24.002 58.628 -17.251 1.00 0.00 WT2 H ATOM 28399 OH2 TIP3 1539 67.225 36.216 14.312 1.00 0.00 WT2 O ATOM 28400 H1 TIP3 1539 66.605 36.349 15.029 1.00 0.00 WT2 H ATOM 28401 H2 TIP3 1539 67.469 37.100 14.038 1.00 0.00 WT2 H ATOM 28402 OH2 TIP3 1540 54.218 64.154 38.388 1.00 0.00 WT2 O ATOM 28403 H1 TIP3 1540 53.410 64.663 38.316 1.00 0.00 WT2 H ATOM 28404 H2 TIP3 1540 53.939 63.245 38.279 1.00 0.00 WT2 H ATOM 28405 OH2 TIP3 1551 86.749 25.258 -17.219 1.00 0.00 WT2 O ATOM 28406 H1 TIP3 1551 85.821 25.482 -17.290 1.00 0.00 WT2 H ATOM 28407 H2 TIP3 1551 86.754 24.343 -16.937 1.00 0.00 WT2 H ATOM 28408 OH2 TIP3 1552 57.249 45.862 50.960 1.00 0.00 WT2 O ATOM 28409 H1 TIP3 1552 57.859 45.770 51.692 1.00 0.00 WT2 H ATOM 28410 H2 TIP3 1552 57.119 46.806 50.873 1.00 0.00 WT2 H ATOM 28411 OH2 TIP3 1555 41.881 93.493 -18.671 1.00 0.00 WT2 O ATOM 28412 H1 TIP3 1555 41.778 94.260 -18.108 1.00 0.00 WT2 H ATOM 28413 H2 TIP3 1555 41.270 92.848 -18.312 1.00 0.00 WT2 H ATOM 28414 OH2 TIP3 1558 65.983 17.103 50.704 1.00 0.00 WT2 O ATOM 28415 H1 TIP3 1558 66.839 16.761 50.446 1.00 0.00 WT2 H ATOM 28416 H2 TIP3 1558 65.375 16.386 50.525 1.00 0.00 WT2 H ATOM 28417 OH2 TIP3 1559 82.069 40.192 54.518 1.00 0.00 WT2 O ATOM 28418 H1 TIP3 1559 81.715 40.601 55.307 1.00 0.00 WT2 H ATOM 28419 H2 TIP3 1559 81.464 40.448 53.822 1.00 0.00 WT2 H ATOM 28420 OH2 TIP3 1560 90.150 49.249 -4.588 1.00 0.00 WT2 O ATOM 28421 H1 TIP3 1560 89.429 49.069 -3.984 1.00 0.00 WT2 H ATOM 28422 H2 TIP3 1560 89.871 50.028 -5.069 1.00 0.00 WT2 H ATOM 28423 OH2 TIP3 1561 68.761 28.383 -2.672 1.00 0.00 WT2 O ATOM 28424 H1 TIP3 1561 68.737 27.794 -3.426 1.00 0.00 WT2 H ATOM 28425 H2 TIP3 1561 68.506 27.834 -1.930 1.00 0.00 WT2 H ATOM 28426 OH2 TIP3 1576 25.995 66.140 35.609 1.00 0.00 WT2 O ATOM 28427 H1 TIP3 1576 26.674 66.660 35.179 1.00 0.00 WT2 H ATOM 28428 H2 TIP3 1576 26.334 65.245 35.598 1.00 0.00 WT2 H ATOM 28429 OH2 TIP3 1577 56.371 31.367 57.181 1.00 0.00 WT2 O ATOM 28430 H1 TIP3 1577 55.504 31.751 57.050 1.00 0.00 WT2 H ATOM 28431 H2 TIP3 1577 56.836 31.539 56.363 1.00 0.00 WT2 H ATOM 28432 OH2 TIP3 1578 32.679 68.444 42.747 1.00 0.00 WT2 O ATOM 28433 H1 TIP3 1578 33.346 68.757 43.358 1.00 0.00 WT2 H ATOM 28434 H2 TIP3 1578 33.135 67.804 42.201 1.00 0.00 WT2 H ATOM 28435 OH2 TIP3 1579 49.624 52.761 -17.269 1.00 0.00 WT2 O ATOM 28436 H1 TIP3 1579 49.630 51.842 -17.535 1.00 0.00 WT2 H ATOM 28437 H2 TIP3 1579 50.548 52.988 -17.168 1.00 0.00 WT2 H ATOM 28438 OH2 TIP3 1580 47.899 54.360 6.723 1.00 0.00 WT2 O ATOM 28439 H1 TIP3 1580 47.686 55.265 6.951 1.00 0.00 WT2 H ATOM 28440 H2 TIP3 1580 48.352 54.425 5.882 1.00 0.00 WT2 H ATOM 28441 OH2 TIP3 1582 36.088 36.613 22.762 1.00 0.00 WT2 O ATOM 28442 H1 TIP3 1582 37.042 36.638 22.683 1.00 0.00 WT2 H ATOM 28443 H2 TIP3 1582 35.839 35.765 22.394 1.00 0.00 WT2 H ATOM 28444 OH2 TIP3 1583 88.861 28.733 12.513 1.00 0.00 WT2 O ATOM 28445 H1 TIP3 1583 87.966 28.411 12.617 1.00 0.00 WT2 H ATOM 28446 H2 TIP3 1583 88.829 29.637 12.828 1.00 0.00 WT2 H ATOM 28447 OH2 TIP3 1599 41.880 34.456 -19.182 1.00 0.00 WT2 O ATOM 28448 H1 TIP3 1599 41.654 34.229 -18.280 1.00 0.00 WT2 H ATOM 28449 H2 TIP3 1599 41.182 34.067 -19.709 1.00 0.00 WT2 H ATOM 28450 OH2 TIP3 1601 57.558 66.433 63.295 1.00 0.00 WT2 O ATOM 28451 H1 TIP3 1601 58.205 66.969 62.837 1.00 0.00 WT2 H ATOM 28452 H2 TIP3 1601 56.930 66.183 62.616 1.00 0.00 WT2 H ATOM 28453 OH2 TIP3 1604 58.661 35.358 61.612 1.00 0.00 WT2 O ATOM 28454 H1 TIP3 1604 58.645 36.100 61.008 1.00 0.00 WT2 H ATOM 28455 H2 TIP3 1604 59.591 35.196 61.770 1.00 0.00 WT2 H ATOM 28456 OH2 TIP3 1605 77.487 34.789 60.505 1.00 0.00 WT2 O ATOM 28457 H1 TIP3 1605 76.609 34.758 60.884 1.00 0.00 WT2 H ATOM 28458 H2 TIP3 1605 78.031 35.178 61.190 1.00 0.00 WT2 H ATOM 28459 OH2 TIP3 1616 33.079 13.389 -16.462 1.00 0.00 WT2 O ATOM 28460 H1 TIP3 1616 33.607 12.760 -16.954 1.00 0.00 WT2 H ATOM 28461 H2 TIP3 1616 32.454 13.731 -17.101 1.00 0.00 WT2 H ATOM 28462 OH2 TIP3 1617 64.981 60.882 59.964 1.00 0.00 WT2 O ATOM 28463 H1 TIP3 1617 64.843 61.824 59.861 1.00 0.00 WT2 H ATOM 28464 H2 TIP3 1617 64.515 60.658 60.769 1.00 0.00 WT2 H ATOM 28465 OH2 TIP3 1618 25.865 63.901 24.833 1.00 0.00 WT2 O ATOM 28466 H1 TIP3 1618 25.580 63.005 24.654 1.00 0.00 WT2 H ATOM 28467 H2 TIP3 1618 25.630 64.389 24.044 1.00 0.00 WT2 H ATOM 28468 OH2 TIP3 1620 37.599 70.433 -18.087 1.00 0.00 WT2 O ATOM 28469 H1 TIP3 1620 38.079 71.260 -18.075 1.00 0.00 WT2 H ATOM 28470 H2 TIP3 1620 36.939 70.548 -18.770 1.00 0.00 WT2 H ATOM 28471 OH2 TIP3 1621 26.076 23.898 12.276 1.00 0.00 WT2 O ATOM 28472 H1 TIP3 1621 26.111 24.377 13.104 1.00 0.00 WT2 H ATOM 28473 H2 TIP3 1621 26.483 23.054 12.470 1.00 0.00 WT2 H ATOM 28474 OH2 TIP3 1622 83.905 42.290 47.765 1.00 0.00 WT2 O ATOM 28475 H1 TIP3 1622 83.437 42.676 47.024 1.00 0.00 WT2 H ATOM 28476 H2 TIP3 1622 83.976 41.361 47.545 1.00 0.00 WT2 H ATOM 28477 OH2 TIP3 1623 33.298 26.131 -18.865 1.00 0.00 WT2 O ATOM 28478 H1 TIP3 1623 32.417 25.893 -18.576 1.00 0.00 WT2 H ATOM 28479 H2 TIP3 1623 33.567 25.409 -19.433 1.00 0.00 WT2 H ATOM 28480 OH2 TIP3 1624 35.443 84.535 -16.797 1.00 0.00 WT2 O ATOM 28481 H1 TIP3 1624 36.004 85.212 -17.175 1.00 0.00 WT2 H ATOM 28482 H2 TIP3 1624 35.777 83.715 -17.162 1.00 0.00 WT2 H ATOM 28483 OH2 TIP3 1625 23.517 86.306 59.903 1.00 0.00 WT2 O ATOM 28484 H1 TIP3 1625 22.855 86.723 60.455 1.00 0.00 WT2 H ATOM 28485 H2 TIP3 1625 23.729 86.965 59.243 1.00 0.00 WT2 H ATOM 28486 OH2 TIP3 1628 74.371 57.756 7.069 1.00 0.00 WT2 O ATOM 28487 H1 TIP3 1628 75.174 58.277 7.073 1.00 0.00 WT2 H ATOM 28488 H2 TIP3 1628 73.891 58.049 7.844 1.00 0.00 WT2 H ATOM 28489 OH2 TIP3 1638 31.574 76.765 25.244 1.00 0.00 WT2 O ATOM 28490 H1 TIP3 1638 31.056 77.503 24.923 1.00 0.00 WT2 H ATOM 28491 H2 TIP3 1638 31.514 76.826 26.197 1.00 0.00 WT2 H ATOM 28492 OH2 TIP3 1639 64.463 69.357 65.057 1.00 0.00 WT2 O ATOM 28493 H1 TIP3 1639 65.165 69.132 64.447 1.00 0.00 WT2 H ATOM 28494 H2 TIP3 1639 63.914 69.975 64.574 1.00 0.00 WT2 H ATOM 28495 OH2 TIP3 1640 57.701 96.032 41.992 1.00 0.00 WT2 O ATOM 28496 H1 TIP3 1640 57.341 95.151 41.887 1.00 0.00 WT2 H ATOM 28497 H2 TIP3 1640 58.624 95.891 42.202 1.00 0.00 WT2 H ATOM 28498 OH2 TIP3 1641 62.482 5.880 45.753 1.00 0.00 WT2 O ATOM 28499 H1 TIP3 1641 62.652 5.079 45.257 1.00 0.00 WT2 H ATOM 28500 H2 TIP3 1641 61.939 5.596 46.488 1.00 0.00 WT2 H ATOM 28501 OH2 TIP3 1643 75.033 60.496 46.264 1.00 0.00 WT2 O ATOM 28502 H1 TIP3 1643 75.498 60.390 47.094 1.00 0.00 WT2 H ATOM 28503 H2 TIP3 1643 75.139 61.423 46.047 1.00 0.00 WT2 H ATOM 28504 OH2 TIP3 1645 28.667 74.216 41.646 1.00 0.00 WT2 O ATOM 28505 H1 TIP3 1645 29.441 73.874 41.200 1.00 0.00 WT2 H ATOM 28506 H2 TIP3 1645 27.967 74.150 40.997 1.00 0.00 WT2 H ATOM 28507 OH2 TIP3 1647 42.817 20.083 64.062 1.00 0.00 WT2 O ATOM 28508 H1 TIP3 1647 43.160 20.659 63.378 1.00 0.00 WT2 H ATOM 28509 H2 TIP3 1647 42.085 19.628 63.647 1.00 0.00 WT2 H ATOM 28510 OH2 TIP3 1648 71.632 66.811 7.255 1.00 0.00 WT2 O ATOM 28511 H1 TIP3 1648 71.107 66.935 8.045 1.00 0.00 WT2 H ATOM 28512 H2 TIP3 1648 71.049 66.353 6.649 1.00 0.00 WT2 H ATOM 28513 OH2 TIP3 1656 27.502 10.910 35.425 1.00 0.00 WT2 O ATOM 28514 H1 TIP3 1656 26.968 10.242 34.993 1.00 0.00 WT2 H ATOM 28515 H2 TIP3 1656 27.441 10.699 36.357 1.00 0.00 WT2 H ATOM 28516 OH2 TIP3 1658 71.922 30.929 54.579 1.00 0.00 WT2 O ATOM 28517 H1 TIP3 1658 72.679 31.065 54.009 1.00 0.00 WT2 H ATOM 28518 H2 TIP3 1658 71.186 31.299 54.092 1.00 0.00 WT2 H ATOM 28519 OH2 TIP3 1659 26.676 62.551 16.171 1.00 0.00 WT2 O ATOM 28520 H1 TIP3 1659 26.213 62.740 16.987 1.00 0.00 WT2 H ATOM 28521 H2 TIP3 1659 26.635 61.599 16.087 1.00 0.00 WT2 H ATOM 28522 OH2 TIP3 1661 82.294 77.211 -19.082 1.00 0.00 WT2 O ATOM 28523 H1 TIP3 1661 81.365 77.264 -18.855 1.00 0.00 WT2 H ATOM 28524 H2 TIP3 1661 82.722 77.823 -18.484 1.00 0.00 WT2 H ATOM 28525 OH2 TIP3 1662 42.206 87.143 -1.971 1.00 0.00 WT2 O ATOM 28526 H1 TIP3 1662 42.774 87.566 -1.328 1.00 0.00 WT2 H ATOM 28527 H2 TIP3 1662 42.783 86.945 -2.709 1.00 0.00 WT2 H ATOM 28528 OH2 TIP3 1663 84.980 78.675 9.667 1.00 0.00 WT2 O ATOM 28529 H1 TIP3 1663 85.053 77.902 10.226 1.00 0.00 WT2 H ATOM 28530 H2 TIP3 1663 85.308 79.394 10.207 1.00 0.00 WT2 H ATOM 28531 OH2 TIP3 1664 80.234 37.258 -17.136 1.00 0.00 WT2 O ATOM 28532 H1 TIP3 1664 79.459 37.803 -17.001 1.00 0.00 WT2 H ATOM 28533 H2 TIP3 1664 80.505 37.444 -18.035 1.00 0.00 WT2 H ATOM 28534 OH2 TIP3 1665 57.048 32.927 33.441 1.00 0.00 WT2 O ATOM 28535 H1 TIP3 1665 56.410 33.263 32.812 1.00 0.00 WT2 H ATOM 28536 H2 TIP3 1665 56.579 32.917 34.276 1.00 0.00 WT2 H ATOM 28537 OH2 TIP3 1666 47.841 61.333 62.702 1.00 0.00 WT2 O ATOM 28538 H1 TIP3 1666 48.157 62.225 62.843 1.00 0.00 WT2 H ATOM 28539 H2 TIP3 1666 47.229 61.409 61.970 1.00 0.00 WT2 H ATOM 28540 OH2 TIP3 1667 36.363 67.952 -16.878 1.00 0.00 WT2 O ATOM 28541 H1 TIP3 1667 37.011 68.520 -17.296 1.00 0.00 WT2 H ATOM 28542 H2 TIP3 1667 36.819 67.586 -16.120 1.00 0.00 WT2 H ATOM 28543 OH2 TIP3 1681 37.825 43.724 -14.686 1.00 0.00 WT2 O ATOM 28544 H1 TIP3 1681 37.279 44.500 -14.557 1.00 0.00 WT2 H ATOM 28545 H2 TIP3 1681 38.723 44.053 -14.648 1.00 0.00 WT2 H ATOM 28546 OH2 TIP3 1683 57.215 18.330 57.637 1.00 0.00 WT2 O ATOM 28547 H1 TIP3 1683 56.411 18.352 57.119 1.00 0.00 WT2 H ATOM 28548 H2 TIP3 1683 57.864 18.773 57.090 1.00 0.00 WT2 H ATOM 28549 OH2 TIP3 1684 89.530 41.870 34.088 1.00 0.00 WT2 O ATOM 28550 H1 TIP3 1684 89.093 41.254 33.501 1.00 0.00 WT2 H ATOM 28551 H2 TIP3 1684 88.821 42.405 34.445 1.00 0.00 WT2 H ATOM 28552 OH2 TIP3 1686 44.314 96.330 55.581 1.00 0.00 WT2 O ATOM 28553 H1 TIP3 1686 45.098 95.783 55.532 1.00 0.00 WT2 H ATOM 28554 H2 TIP3 1686 43.587 95.707 55.576 1.00 0.00 WT2 H ATOM 28555 OH2 TIP3 1687 21.734 39.877 28.871 1.00 0.00 WT2 O ATOM 28556 H1 TIP3 1687 22.136 40.124 28.038 1.00 0.00 WT2 H ATOM 28557 H2 TIP3 1687 22.282 40.292 29.536 1.00 0.00 WT2 H ATOM 28558 OH2 TIP3 1688 54.585 54.619 -0.016 1.00 0.00 WT2 O ATOM 28559 H1 TIP3 1688 54.940 55.170 0.682 1.00 0.00 WT2 H ATOM 28560 H2 TIP3 1688 53.869 54.138 0.399 1.00 0.00 WT2 H ATOM 28561 OH2 TIP3 1689 59.932 18.667 63.647 1.00 0.00 WT2 O ATOM 28562 H1 TIP3 1689 60.845 18.491 63.420 1.00 0.00 WT2 H ATOM 28563 H2 TIP3 1689 59.782 18.161 64.446 1.00 0.00 WT2 H ATOM 28564 OH2 TIP3 1691 63.068 41.536 60.492 1.00 0.00 WT2 O ATOM 28565 H1 TIP3 1691 63.416 41.529 59.601 1.00 0.00 WT2 H ATOM 28566 H2 TIP3 1691 63.709 41.044 61.004 1.00 0.00 WT2 H ATOM 28567 OH2 TIP3 1701 22.472 84.718 23.767 1.00 0.00 WT2 O ATOM 28568 H1 TIP3 1701 23.015 84.897 24.535 1.00 0.00 WT2 H ATOM 28569 H2 TIP3 1701 23.086 84.385 23.112 1.00 0.00 WT2 H ATOM 28570 OH2 TIP3 1702 74.243 69.264 -2.877 1.00 0.00 WT2 O ATOM 28571 H1 TIP3 1702 75.090 68.873 -2.661 1.00 0.00 WT2 H ATOM 28572 H2 TIP3 1702 73.601 68.600 -2.628 1.00 0.00 WT2 H ATOM 28573 OH2 TIP3 1704 89.088 79.440 34.432 1.00 0.00 WT2 O ATOM 28574 H1 TIP3 1704 88.529 79.679 33.693 1.00 0.00 WT2 H ATOM 28575 H2 TIP3 1704 89.867 79.057 34.031 1.00 0.00 WT2 H ATOM 28576 OH2 TIP3 1706 40.137 40.187 50.101 1.00 0.00 WT2 O ATOM 28577 H1 TIP3 1706 40.220 40.863 49.429 1.00 0.00 WT2 H ATOM 28578 H2 TIP3 1706 39.268 40.328 50.477 1.00 0.00 WT2 H ATOM 28579 OH2 TIP3 1707 89.164 69.340 59.185 1.00 0.00 WT2 O ATOM 28580 H1 TIP3 1707 88.271 69.624 58.991 1.00 0.00 WT2 H ATOM 28581 H2 TIP3 1707 89.399 68.770 58.453 1.00 0.00 WT2 H ATOM 28582 OH2 TIP3 1708 48.134 41.327 -1.733 1.00 0.00 WT2 O ATOM 28583 H1 TIP3 1708 48.410 42.217 -1.515 1.00 0.00 WT2 H ATOM 28584 H2 TIP3 1708 48.937 40.809 -1.687 1.00 0.00 WT2 H ATOM 28585 OH2 TIP3 1710 85.171 48.352 -19.104 1.00 0.00 WT2 O ATOM 28586 H1 TIP3 1710 85.422 48.790 -19.917 1.00 0.00 WT2 H ATOM 28587 H2 TIP3 1710 84.731 49.030 -18.591 1.00 0.00 WT2 H ATOM 28588 OH2 TIP3 1723 49.387 23.258 51.306 1.00 0.00 WT2 O ATOM 28589 H1 TIP3 1723 50.296 23.448 51.540 1.00 0.00 WT2 H ATOM 28590 H2 TIP3 1723 48.900 23.375 52.121 1.00 0.00 WT2 H ATOM 28591 OH2 TIP3 1725 67.450 81.645 2.174 1.00 0.00 WT2 O ATOM 28592 H1 TIP3 1725 67.041 81.368 1.354 1.00 0.00 WT2 H ATOM 28593 H2 TIP3 1725 67.142 81.012 2.822 1.00 0.00 WT2 H ATOM 28594 OH2 TIP3 1728 59.993 31.729 10.850 1.00 0.00 WT2 O ATOM 28595 H1 TIP3 1728 59.284 31.910 10.233 1.00 0.00 WT2 H ATOM 28596 H2 TIP3 1728 59.761 32.225 11.635 1.00 0.00 WT2 H ATOM 28597 OH2 TIP3 1730 89.557 26.191 4.652 1.00 0.00 WT2 O ATOM 28598 H1 TIP3 1730 90.161 26.393 5.366 1.00 0.00 WT2 H ATOM 28599 H2 TIP3 1730 88.897 26.883 4.692 1.00 0.00 WT2 H ATOM 28600 OH2 TIP3 1731 46.868 47.404 56.485 1.00 0.00 WT2 O ATOM 28601 H1 TIP3 1731 45.971 47.690 56.311 1.00 0.00 WT2 H ATOM 28602 H2 TIP3 1731 47.416 48.038 56.022 1.00 0.00 WT2 H ATOM 28603 OH2 TIP3 1733 66.184 87.659 64.287 1.00 0.00 WT2 O ATOM 28604 H1 TIP3 1733 67.011 87.994 63.940 1.00 0.00 WT2 H ATOM 28605 H2 TIP3 1733 66.217 86.718 64.117 1.00 0.00 WT2 H ATOM 28606 OH2 TIP3 1738 49.883 80.108 -16.485 1.00 0.00 WT2 O ATOM 28607 H1 TIP3 1738 49.441 80.604 -17.174 1.00 0.00 WT2 H ATOM 28608 H2 TIP3 1738 49.278 79.396 -16.276 1.00 0.00 WT2 H ATOM 28609 OH2 TIP3 1744 24.138 27.896 27.817 1.00 0.00 WT2 O ATOM 28610 H1 TIP3 1744 24.210 28.017 26.870 1.00 0.00 WT2 H ATOM 28611 H2 TIP3 1744 23.196 27.874 27.985 1.00 0.00 WT2 H ATOM 28612 OH2 TIP3 1746 58.039 7.931 3.213 1.00 0.00 WT2 O ATOM 28613 H1 TIP3 1746 57.371 7.907 3.899 1.00 0.00 WT2 H ATOM 28614 H2 TIP3 1746 58.862 8.063 3.685 1.00 0.00 WT2 H ATOM 28615 OH2 TIP3 1747 38.688 48.887 -2.325 1.00 0.00 WT2 O ATOM 28616 H1 TIP3 1747 38.356 48.721 -3.207 1.00 0.00 WT2 H ATOM 28617 H2 TIP3 1747 39.154 48.085 -2.089 1.00 0.00 WT2 H ATOM 28618 OH2 TIP3 1748 56.060 92.580 22.166 1.00 0.00 WT2 O ATOM 28619 H1 TIP3 1748 55.471 91.926 21.788 1.00 0.00 WT2 H ATOM 28620 H2 TIP3 1748 56.125 93.260 21.496 1.00 0.00 WT2 H ATOM 28621 OH2 TIP3 1749 56.607 90.662 -8.125 1.00 0.00 WT2 O ATOM 28622 H1 TIP3 1749 56.743 89.968 -8.770 1.00 0.00 WT2 H ATOM 28623 H2 TIP3 1749 55.752 91.032 -8.348 1.00 0.00 WT2 H ATOM 28624 OH2 TIP3 1750 30.021 94.468 31.611 1.00 0.00 WT2 O ATOM 28625 H1 TIP3 1750 30.390 95.125 32.201 1.00 0.00 WT2 H ATOM 28626 H2 TIP3 1750 30.327 94.726 30.742 1.00 0.00 WT2 H ATOM 28627 OH2 TIP3 1751 87.705 94.452 57.262 1.00 0.00 WT2 O ATOM 28628 H1 TIP3 1751 87.473 93.795 57.919 1.00 0.00 WT2 H ATOM 28629 H2 TIP3 1751 87.010 95.108 57.323 1.00 0.00 WT2 H ATOM 28630 OH2 TIP3 1764 48.101 10.360 -9.952 1.00 0.00 WT2 O ATOM 28631 H1 TIP3 1764 48.941 10.514 -9.519 1.00 0.00 WT2 H ATOM 28632 H2 TIP3 1764 48.292 9.702 -10.620 1.00 0.00 WT2 H ATOM 28633 OH2 TIP3 1766 37.071 47.400 16.899 1.00 0.00 WT2 O ATOM 28634 H1 TIP3 1766 36.507 48.155 17.070 1.00 0.00 WT2 H ATOM 28635 H2 TIP3 1766 37.951 47.770 16.824 1.00 0.00 WT2 H ATOM 28636 OH2 TIP3 1767 80.859 52.336 42.000 1.00 0.00 WT2 O ATOM 28637 H1 TIP3 1767 80.031 52.256 42.474 1.00 0.00 WT2 H ATOM 28638 H2 TIP3 1767 80.834 51.632 41.352 1.00 0.00 WT2 H ATOM 28639 OH2 TIP3 1768 38.482 82.566 52.647 1.00 0.00 WT2 O ATOM 28640 H1 TIP3 1768 38.168 82.907 51.810 1.00 0.00 WT2 H ATOM 28641 H2 TIP3 1768 39.386 82.876 52.709 1.00 0.00 WT2 H ATOM 28642 OH2 TIP3 1769 71.305 71.861 31.632 1.00 0.00 WT2 O ATOM 28643 H1 TIP3 1769 70.401 71.549 31.602 1.00 0.00 WT2 H ATOM 28644 H2 TIP3 1769 71.228 72.801 31.796 1.00 0.00 WT2 H ATOM 28645 OH2 TIP3 1770 71.386 4.851 23.672 1.00 0.00 WT2 O ATOM 28646 H1 TIP3 1770 71.840 5.505 23.141 1.00 0.00 WT2 H ATOM 28647 H2 TIP3 1770 71.850 4.858 24.510 1.00 0.00 WT2 H ATOM 28648 OH2 TIP3 1771 78.887 90.400 -6.419 1.00 0.00 WT2 O ATOM 28649 H1 TIP3 1771 78.612 90.427 -5.503 1.00 0.00 WT2 H ATOM 28650 H2 TIP3 1771 78.482 91.172 -6.814 1.00 0.00 WT2 H ATOM 28651 OH2 TIP3 1773 77.179 73.909 49.796 1.00 0.00 WT2 O ATOM 28652 H1 TIP3 1773 77.724 73.646 50.538 1.00 0.00 WT2 H ATOM 28653 H2 TIP3 1773 76.794 73.092 49.479 1.00 0.00 WT2 H ATOM 28654 OH2 TIP3 1784 32.822 94.420 -5.825 1.00 0.00 WT2 O ATOM 28655 H1 TIP3 1784 32.840 95.320 -5.499 1.00 0.00 WT2 H ATOM 28656 H2 TIP3 1784 32.060 94.390 -6.402 1.00 0.00 WT2 H ATOM 28657 OH2 TIP3 1785 67.707 95.523 -13.109 1.00 0.00 WT2 O ATOM 28658 H1 TIP3 1785 68.049 96.200 -12.526 1.00 0.00 WT2 H ATOM 28659 H2 TIP3 1785 66.758 95.651 -13.095 1.00 0.00 WT2 H ATOM 28660 OH2 TIP3 1788 20.685 43.100 47.225 1.00 0.00 WT2 O ATOM 28661 H1 TIP3 1788 20.422 42.183 47.146 1.00 0.00 WT2 H ATOM 28662 H2 TIP3 1788 21.557 43.066 47.620 1.00 0.00 WT2 H ATOM 28663 OH2 TIP3 1789 23.111 51.942 2.252 1.00 0.00 WT2 O ATOM 28664 H1 TIP3 1789 22.619 51.691 1.471 1.00 0.00 WT2 H ATOM 28665 H2 TIP3 1789 23.366 52.851 2.094 1.00 0.00 WT2 H ATOM 28666 OH2 TIP3 1790 58.058 42.308 -1.828 1.00 0.00 WT2 O ATOM 28667 H1 TIP3 1790 58.704 42.840 -2.293 1.00 0.00 WT2 H ATOM 28668 H2 TIP3 1790 58.331 42.346 -0.912 1.00 0.00 WT2 H ATOM 28669 OH2 TIP3 1791 58.599 80.214 62.358 1.00 0.00 WT2 O ATOM 28670 H1 TIP3 1791 58.906 79.584 63.010 1.00 0.00 WT2 H ATOM 28671 H2 TIP3 1791 59.087 79.996 61.564 1.00 0.00 WT2 H ATOM 28672 OH2 TIP3 1792 55.506 25.901 39.947 1.00 0.00 WT2 O ATOM 28673 H1 TIP3 1792 55.723 26.637 39.376 1.00 0.00 WT2 H ATOM 28674 H2 TIP3 1792 55.845 25.132 39.489 1.00 0.00 WT2 H ATOM 28675 OH2 TIP3 1795 56.254 90.505 55.106 1.00 0.00 WT2 O ATOM 28676 H1 TIP3 1795 56.988 90.752 55.668 1.00 0.00 WT2 H ATOM 28677 H2 TIP3 1795 56.662 90.090 54.346 1.00 0.00 WT2 H ATOM 28678 OH2 TIP3 1796 33.052 10.731 -10.089 1.00 0.00 WT2 O ATOM 28679 H1 TIP3 1796 32.247 10.213 -10.060 1.00 0.00 WT2 H ATOM 28680 H2 TIP3 1796 33.750 10.085 -10.192 1.00 0.00 WT2 H ATOM 28681 OH2 TIP3 1810 46.005 18.133 -17.633 1.00 0.00 WT2 O ATOM 28682 H1 TIP3 1810 46.946 18.266 -17.751 1.00 0.00 WT2 H ATOM 28683 H2 TIP3 1810 45.687 18.966 -17.287 1.00 0.00 WT2 H ATOM 28684 OH2 TIP3 1811 29.877 69.112 63.026 1.00 0.00 WT2 O ATOM 28685 H1 TIP3 1811 29.984 69.199 62.079 1.00 0.00 WT2 H ATOM 28686 H2 TIP3 1811 30.635 68.601 63.308 1.00 0.00 WT2 H ATOM 28687 OH2 TIP3 1813 72.427 14.892 -1.641 1.00 0.00 WT2 O ATOM 28688 H1 TIP3 1813 71.969 14.221 -1.135 1.00 0.00 WT2 H ATOM 28689 H2 TIP3 1813 72.848 15.443 -0.981 1.00 0.00 WT2 H ATOM 28690 OH2 TIP3 1814 42.555 34.378 -6.525 1.00 0.00 WT2 O ATOM 28691 H1 TIP3 1814 42.697 33.435 -6.601 1.00 0.00 WT2 H ATOM 28692 H2 TIP3 1814 42.215 34.499 -5.638 1.00 0.00 WT2 H ATOM 28693 OH2 TIP3 1816 24.474 47.053 -12.658 1.00 0.00 WT2 O ATOM 28694 H1 TIP3 1816 24.972 47.785 -13.021 1.00 0.00 WT2 H ATOM 28695 H2 TIP3 1816 23.593 47.162 -13.016 1.00 0.00 WT2 H ATOM 28696 OH2 TIP3 1824 31.941 55.004 66.338 1.00 0.00 WT2 O ATOM 28697 H1 TIP3 1824 32.896 55.020 66.408 1.00 0.00 WT2 H ATOM 28698 H2 TIP3 1824 31.659 54.415 67.038 1.00 0.00 WT2 H ATOM 28699 OH2 TIP3 1829 83.722 67.420 61.265 1.00 0.00 WT2 O ATOM 28700 H1 TIP3 1829 83.961 67.140 60.381 1.00 0.00 WT2 H ATOM 28701 H2 TIP3 1829 82.931 67.945 61.144 1.00 0.00 WT2 H ATOM 28702 OH2 TIP3 1830 31.186 43.367 -6.013 1.00 0.00 WT2 O ATOM 28703 H1 TIP3 1830 31.546 44.178 -5.654 1.00 0.00 WT2 H ATOM 28704 H2 TIP3 1830 30.770 43.632 -6.834 1.00 0.00 WT2 H ATOM 28705 OH2 TIP3 1831 49.661 4.942 63.781 1.00 0.00 WT2 O ATOM 28706 H1 TIP3 1831 49.595 5.716 64.341 1.00 0.00 WT2 H ATOM 28707 H2 TIP3 1831 48.921 4.394 64.041 1.00 0.00 WT2 H ATOM 28708 OH2 TIP3 1832 38.757 83.502 39.987 1.00 0.00 WT2 O ATOM 28709 H1 TIP3 1832 39.576 83.255 40.416 1.00 0.00 WT2 H ATOM 28710 H2 TIP3 1832 38.993 83.618 39.067 1.00 0.00 WT2 H ATOM 28711 OH2 TIP3 1835 75.989 50.878 33.508 1.00 0.00 WT2 O ATOM 28712 H1 TIP3 1835 75.225 50.327 33.338 1.00 0.00 WT2 H ATOM 28713 H2 TIP3 1835 75.809 51.691 33.036 1.00 0.00 WT2 H ATOM 28714 OH2 TIP3 1837 73.071 60.768 27.026 1.00 0.00 WT2 O ATOM 28715 H1 TIP3 1837 73.759 60.309 26.545 1.00 0.00 WT2 H ATOM 28716 H2 TIP3 1837 72.809 60.156 27.714 1.00 0.00 WT2 H ATOM 28717 OH2 TIP3 1847 36.892 24.910 53.471 1.00 0.00 WT2 O ATOM 28718 H1 TIP3 1847 37.451 25.680 53.573 1.00 0.00 WT2 H ATOM 28719 H2 TIP3 1847 36.681 24.888 52.538 1.00 0.00 WT2 H ATOM 28720 OH2 TIP3 1850 87.171 3.296 39.023 1.00 0.00 WT2 O ATOM 28721 H1 TIP3 1850 87.554 3.300 38.146 1.00 0.00 WT2 H ATOM 28722 H2 TIP3 1850 87.651 3.975 39.497 1.00 0.00 WT2 H ATOM 28723 OH2 TIP3 1851 56.290 30.340 51.773 1.00 0.00 WT2 O ATOM 28724 H1 TIP3 1851 56.477 30.154 50.853 1.00 0.00 WT2 H ATOM 28725 H2 TIP3 1851 56.191 31.291 51.810 1.00 0.00 WT2 H ATOM 28726 OH2 TIP3 1852 49.571 75.633 66.468 1.00 0.00 WT2 O ATOM 28727 H1 TIP3 1852 49.166 74.779 66.618 1.00 0.00 WT2 H ATOM 28728 H2 TIP3 1852 50.504 75.441 66.371 1.00 0.00 WT2 H ATOM 28729 OH2 TIP3 1853 64.807 4.471 -14.496 1.00 0.00 WT2 O ATOM 28730 H1 TIP3 1853 64.653 5.256 -13.970 1.00 0.00 WT2 H ATOM 28731 H2 TIP3 1853 65.355 3.915 -13.943 1.00 0.00 WT2 H ATOM 28732 OH2 TIP3 1854 21.829 64.423 44.221 1.00 0.00 WT2 O ATOM 28733 H1 TIP3 1854 21.036 64.595 44.728 1.00 0.00 WT2 H ATOM 28734 H2 TIP3 1854 21.932 63.472 44.252 1.00 0.00 WT2 H ATOM 28735 OH2 TIP3 1855 71.596 88.987 57.804 1.00 0.00 WT2 O ATOM 28736 H1 TIP3 1855 70.662 89.032 58.008 1.00 0.00 WT2 H ATOM 28737 H2 TIP3 1855 71.763 88.057 57.645 1.00 0.00 WT2 H ATOM 28738 OH2 TIP3 1856 86.043 2.295 -8.175 1.00 0.00 WT2 O ATOM 28739 H1 TIP3 1856 85.442 1.869 -7.564 1.00 0.00 WT2 H ATOM 28740 H2 TIP3 1856 85.765 3.211 -8.186 1.00 0.00 WT2 H ATOM 28741 OH2 TIP3 1870 64.819 95.672 -1.382 1.00 0.00 WT2 O ATOM 28742 H1 TIP3 1870 65.580 95.708 -1.961 1.00 0.00 WT2 H ATOM 28743 H2 TIP3 1870 64.573 96.588 -1.252 1.00 0.00 WT2 H ATOM 28744 OH2 TIP3 1871 83.199 84.818 28.085 1.00 0.00 WT2 O ATOM 28745 H1 TIP3 1871 82.620 85.254 28.710 1.00 0.00 WT2 H ATOM 28746 H2 TIP3 1871 83.099 83.885 28.276 1.00 0.00 WT2 H ATOM 28747 OH2 TIP3 1872 64.873 13.854 7.064 1.00 0.00 WT2 O ATOM 28748 H1 TIP3 1872 65.439 13.145 7.369 1.00 0.00 WT2 H ATOM 28749 H2 TIP3 1872 65.455 14.430 6.569 1.00 0.00 WT2 H ATOM 28750 OH2 TIP3 1873 40.253 24.555 33.356 1.00 0.00 WT2 O ATOM 28751 H1 TIP3 1873 40.842 25.269 33.109 1.00 0.00 WT2 H ATOM 28752 H2 TIP3 1873 39.849 24.850 34.172 1.00 0.00 WT2 H ATOM 28753 OH2 TIP3 1875 45.686 10.155 6.491 1.00 0.00 WT2 O ATOM 28754 H1 TIP3 1875 46.380 10.089 5.835 1.00 0.00 WT2 H ATOM 28755 H2 TIP3 1875 45.272 11.001 6.319 1.00 0.00 WT2 H ATOM 28756 OH2 TIP3 1877 70.525 31.490 58.634 1.00 0.00 WT2 O ATOM 28757 H1 TIP3 1877 70.232 32.401 58.629 1.00 0.00 WT2 H ATOM 28758 H2 TIP3 1877 71.458 31.536 58.426 1.00 0.00 WT2 H ATOM 28759 OH2 TIP3 1881 60.205 22.574 50.675 1.00 0.00 WT2 O ATOM 28760 H1 TIP3 1881 60.460 23.320 50.132 1.00 0.00 WT2 H ATOM 28761 H2 TIP3 1881 60.758 21.855 50.370 1.00 0.00 WT2 H ATOM 28762 OH2 TIP3 1885 31.373 64.744 12.496 1.00 0.00 WT2 O ATOM 28763 H1 TIP3 1885 32.266 65.064 12.625 1.00 0.00 WT2 H ATOM 28764 H2 TIP3 1885 30.862 65.530 12.301 1.00 0.00 WT2 H ATOM 28765 OH2 TIP3 1891 47.185 15.932 -8.887 1.00 0.00 WT2 O ATOM 28766 H1 TIP3 1891 47.270 16.318 -9.759 1.00 0.00 WT2 H ATOM 28767 H2 TIP3 1891 47.598 16.567 -8.302 1.00 0.00 WT2 H ATOM 28768 OH2 TIP3 1892 85.338 89.337 27.304 1.00 0.00 WT2 O ATOM 28769 H1 TIP3 1892 84.941 89.862 28.000 1.00 0.00 WT2 H ATOM 28770 H2 TIP3 1892 85.015 88.449 27.459 1.00 0.00 WT2 H ATOM 28771 OH2 TIP3 1894 90.398 10.473 43.189 1.00 0.00 WT2 O ATOM 28772 H1 TIP3 1894 89.706 9.821 43.300 1.00 0.00 WT2 H ATOM 28773 H2 TIP3 1894 91.207 10.000 43.382 1.00 0.00 WT2 H ATOM 28774 OH2 TIP3 1895 75.420 6.805 5.308 1.00 0.00 WT2 O ATOM 28775 H1 TIP3 1895 75.659 7.548 5.862 1.00 0.00 WT2 H ATOM 28776 H2 TIP3 1895 76.070 6.133 5.515 1.00 0.00 WT2 H ATOM 28777 OH2 TIP3 1896 45.420 39.739 -13.815 1.00 0.00 WT2 O ATOM 28778 H1 TIP3 1896 44.722 40.394 -13.833 1.00 0.00 WT2 H ATOM 28779 H2 TIP3 1896 45.966 39.991 -13.070 1.00 0.00 WT2 H ATOM 28780 OH2 TIP3 1897 85.248 4.951 -7.080 1.00 0.00 WT2 O ATOM 28781 H1 TIP3 1897 85.744 5.566 -7.620 1.00 0.00 WT2 H ATOM 28782 H2 TIP3 1897 84.669 5.504 -6.556 1.00 0.00 WT2 H ATOM 28783 OH2 TIP3 1911 22.692 46.360 64.225 1.00 0.00 WT2 O ATOM 28784 H1 TIP3 1911 22.053 46.446 64.933 1.00 0.00 WT2 H ATOM 28785 H2 TIP3 1911 23.280 45.663 64.516 1.00 0.00 WT2 H ATOM 28786 OH2 TIP3 1912 38.937 81.073 24.588 1.00 0.00 WT2 O ATOM 28787 H1 TIP3 1912 38.067 80.717 24.764 1.00 0.00 WT2 H ATOM 28788 H2 TIP3 1912 39.405 80.361 24.153 1.00 0.00 WT2 H ATOM 28789 OH2 TIP3 1913 89.121 10.291 38.407 1.00 0.00 WT2 O ATOM 28790 H1 TIP3 1913 89.701 10.534 39.129 1.00 0.00 WT2 H ATOM 28791 H2 TIP3 1913 89.703 10.192 37.654 1.00 0.00 WT2 H ATOM 28792 OH2 TIP3 1914 71.002 2.539 22.094 1.00 0.00 WT2 O ATOM 28793 H1 TIP3 1914 70.580 2.043 22.795 1.00 0.00 WT2 H ATOM 28794 H2 TIP3 1914 71.253 3.367 22.504 1.00 0.00 WT2 H ATOM 28795 OH2 TIP3 1915 64.228 80.584 34.818 1.00 0.00 WT2 O ATOM 28796 H1 TIP3 1915 64.377 79.666 35.045 1.00 0.00 WT2 H ATOM 28797 H2 TIP3 1915 64.658 80.695 33.970 1.00 0.00 WT2 H ATOM 28798 OH2 TIP3 1917 25.002 3.905 -12.219 1.00 0.00 WT2 O ATOM 28799 H1 TIP3 1917 25.031 3.780 -13.168 1.00 0.00 WT2 H ATOM 28800 H2 TIP3 1917 24.246 3.393 -11.932 1.00 0.00 WT2 H ATOM 28801 OH2 TIP3 1918 42.502 3.386 -13.932 1.00 0.00 WT2 O ATOM 28802 H1 TIP3 1918 42.705 4.253 -14.283 1.00 0.00 WT2 H ATOM 28803 H2 TIP3 1918 41.977 2.968 -14.614 1.00 0.00 WT2 H ATOM 28804 OH2 TIP3 1919 86.976 53.014 32.455 1.00 0.00 WT2 O ATOM 28805 H1 TIP3 1919 86.827 52.171 32.883 1.00 0.00 WT2 H ATOM 28806 H2 TIP3 1919 87.624 52.828 31.776 1.00 0.00 WT2 H ATOM 28807 OH2 TIP3 1931 37.579 22.950 -15.530 1.00 0.00 WT2 O ATOM 28808 H1 TIP3 1931 36.933 22.912 -16.234 1.00 0.00 WT2 H ATOM 28809 H2 TIP3 1931 37.079 23.219 -14.759 1.00 0.00 WT2 H ATOM 28810 OH2 TIP3 1934 54.372 61.513 63.922 1.00 0.00 WT2 O ATOM 28811 H1 TIP3 1934 53.460 61.720 64.125 1.00 0.00 WT2 H ATOM 28812 H2 TIP3 1934 54.332 60.675 63.462 1.00 0.00 WT2 H ATOM 28813 OH2 TIP3 1935 31.533 56.401 49.781 1.00 0.00 WT2 O ATOM 28814 H1 TIP3 1935 32.166 57.096 49.601 1.00 0.00 WT2 H ATOM 28815 H2 TIP3 1935 31.409 56.429 50.730 1.00 0.00 WT2 H ATOM 28816 OH2 TIP3 1936 77.998 18.828 39.446 1.00 0.00 WT2 O ATOM 28817 H1 TIP3 1936 78.072 19.599 38.884 1.00 0.00 WT2 H ATOM 28818 H2 TIP3 1936 78.288 19.129 40.307 1.00 0.00 WT2 H ATOM 28819 OH2 TIP3 1937 36.256 18.975 -17.656 1.00 0.00 WT2 O ATOM 28820 H1 TIP3 1937 35.510 18.886 -17.063 1.00 0.00 WT2 H ATOM 28821 H2 TIP3 1937 37.000 19.155 -17.081 1.00 0.00 WT2 H ATOM 28822 OH2 TIP3 1938 22.042 83.841 59.697 1.00 0.00 WT2 O ATOM 28823 H1 TIP3 1938 22.817 83.444 60.094 1.00 0.00 WT2 H ATOM 28824 H2 TIP3 1938 22.203 84.784 59.747 1.00 0.00 WT2 H ATOM 28825 OH2 TIP3 1950 56.553 29.881 -0.912 1.00 0.00 WT2 O ATOM 28826 H1 TIP3 1950 56.764 30.638 -1.460 1.00 0.00 WT2 H ATOM 28827 H2 TIP3 1950 56.417 30.248 -0.039 1.00 0.00 WT2 H ATOM 28828 OH2 TIP3 1952 29.064 28.073 53.402 1.00 0.00 WT2 O ATOM 28829 H1 TIP3 1952 29.356 28.970 53.242 1.00 0.00 WT2 H ATOM 28830 H2 TIP3 1952 28.840 28.056 54.333 1.00 0.00 WT2 H ATOM 28831 OH2 TIP3 1953 20.462 23.296 59.360 1.00 0.00 WT2 O ATOM 28832 H1 TIP3 1953 21.388 23.394 59.140 1.00 0.00 WT2 H ATOM 28833 H2 TIP3 1953 20.068 22.916 58.574 1.00 0.00 WT2 H ATOM 28834 OH2 TIP3 1954 67.009 92.224 66.030 1.00 0.00 WT2 O ATOM 28835 H1 TIP3 1954 66.511 92.977 66.348 1.00 0.00 WT2 H ATOM 28836 H2 TIP3 1954 67.901 92.376 66.344 1.00 0.00 WT2 H ATOM 28837 OH2 TIP3 1955 36.862 45.869 20.915 1.00 0.00 WT2 O ATOM 28838 H1 TIP3 1955 37.528 46.173 20.298 1.00 0.00 WT2 H ATOM 28839 H2 TIP3 1955 36.641 44.988 20.615 1.00 0.00 WT2 H ATOM 28840 OH2 TIP3 1959 38.094 85.271 54.739 1.00 0.00 WT2 O ATOM 28841 H1 TIP3 1959 38.491 86.020 55.184 1.00 0.00 WT2 H ATOM 28842 H2 TIP3 1959 37.512 84.885 55.393 1.00 0.00 WT2 H ATOM 28843 OH2 TIP3 1976 90.303 78.851 24.145 1.00 0.00 WT2 O ATOM 28844 H1 TIP3 1976 89.820 78.028 24.215 1.00 0.00 WT2 H ATOM 28845 H2 TIP3 1976 89.659 79.480 23.820 1.00 0.00 WT2 H ATOM 28846 OH2 TIP3 1977 32.407 65.032 48.851 1.00 0.00 WT2 O ATOM 28847 H1 TIP3 1977 33.119 65.103 48.214 1.00 0.00 WT2 H ATOM 28848 H2 TIP3 1977 32.699 64.358 49.463 1.00 0.00 WT2 H ATOM 28849 OH2 TIP3 1978 45.749 51.865 -7.857 1.00 0.00 WT2 O ATOM 28850 H1 TIP3 1978 45.895 51.915 -6.913 1.00 0.00 WT2 H ATOM 28851 H2 TIP3 1978 46.165 52.653 -8.207 1.00 0.00 WT2 H ATOM 28852 OH2 TIP3 1979 88.897 11.492 56.354 1.00 0.00 WT2 O ATOM 28853 H1 TIP3 1979 88.445 10.723 56.005 1.00 0.00 WT2 H ATOM 28854 H2 TIP3 1979 88.303 11.836 57.021 1.00 0.00 WT2 H ATOM 28855 OH2 TIP3 1983 32.123 11.748 39.824 1.00 0.00 WT2 O ATOM 28856 H1 TIP3 1983 32.654 12.303 39.254 1.00 0.00 WT2 H ATOM 28857 H2 TIP3 1983 31.945 12.293 40.591 1.00 0.00 WT2 H ATOM 28858 OH2 TIP3 1993 68.699 79.956 25.390 1.00 0.00 WT2 O ATOM 28859 H1 TIP3 1993 68.734 79.070 25.031 1.00 0.00 WT2 H ATOM 28860 H2 TIP3 1993 68.320 80.485 24.688 1.00 0.00 WT2 H ATOM 28861 OH2 TIP3 1998 77.771 23.967 49.668 1.00 0.00 WT2 O ATOM 28862 H1 TIP3 1998 78.188 23.296 50.209 1.00 0.00 WT2 H ATOM 28863 H2 TIP3 1998 77.396 23.484 48.932 1.00 0.00 WT2 H ATOM 28864 OH2 TIP3 1999 39.596 55.454 -8.080 1.00 0.00 WT2 O ATOM 28865 H1 TIP3 1999 39.888 54.567 -7.869 1.00 0.00 WT2 H ATOM 28866 H2 TIP3 1999 40.022 56.008 -7.425 1.00 0.00 WT2 H ATOM 28867 OH2 TIP3 2000 39.023 32.675 51.522 1.00 0.00 WT2 O ATOM 28868 H1 TIP3 2000 38.774 31.878 51.054 1.00 0.00 WT2 H ATOM 28869 H2 TIP3 2000 38.981 33.365 50.860 1.00 0.00 WT2 H ATOM 28870 OH2 TIP3 2001 43.679 35.667 -8.650 1.00 0.00 WT2 O ATOM 28871 H1 TIP3 2001 42.993 36.295 -8.875 1.00 0.00 WT2 H ATOM 28872 H2 TIP3 2001 43.365 35.244 -7.851 1.00 0.00 WT2 H ATOM 28873 OH2 TIP3 2002 39.400 25.285 40.724 1.00 0.00 WT2 O ATOM 28874 H1 TIP3 2002 40.311 25.106 40.490 1.00 0.00 WT2 H ATOM 28875 H2 TIP3 2002 39.238 26.171 40.399 1.00 0.00 WT2 H ATOM 28876 OH2 TIP3 2014 54.720 6.574 32.302 1.00 0.00 WT2 O ATOM 28877 H1 TIP3 2014 55.229 6.879 33.053 1.00 0.00 WT2 H ATOM 28878 H2 TIP3 2014 54.079 7.268 32.149 1.00 0.00 WT2 H ATOM 28879 OH2 TIP3 2016 76.145 37.101 44.634 1.00 0.00 WT2 O ATOM 28880 H1 TIP3 2016 77.074 36.901 44.750 1.00 0.00 WT2 H ATOM 28881 H2 TIP3 2016 76.136 37.941 44.176 1.00 0.00 WT2 H ATOM 28882 OH2 TIP3 2018 31.003 73.008 43.532 1.00 0.00 WT2 O ATOM 28883 H1 TIP3 2018 31.726 72.527 43.127 1.00 0.00 WT2 H ATOM 28884 H2 TIP3 2018 31.149 73.919 43.278 1.00 0.00 WT2 H ATOM 28885 OH2 TIP3 2019 77.383 95.622 56.609 1.00 0.00 WT2 O ATOM 28886 H1 TIP3 2019 77.617 96.371 57.158 1.00 0.00 WT2 H ATOM 28887 H2 TIP3 2019 77.692 95.859 55.735 1.00 0.00 WT2 H ATOM 28888 OH2 TIP3 2021 55.750 33.642 11.317 1.00 0.00 WT2 O ATOM 28889 H1 TIP3 2021 55.358 34.445 10.973 1.00 0.00 WT2 H ATOM 28890 H2 TIP3 2021 55.030 33.196 11.764 1.00 0.00 WT2 H ATOM 28891 OH2 TIP3 2022 34.383 78.947 -9.609 1.00 0.00 WT2 O ATOM 28892 H1 TIP3 2022 33.851 78.374 -9.056 1.00 0.00 WT2 H ATOM 28893 H2 TIP3 2022 34.556 79.714 -9.064 1.00 0.00 WT2 H ATOM 28894 OH2 TIP3 2024 81.315 53.872 64.734 1.00 0.00 WT2 O ATOM 28895 H1 TIP3 2024 80.674 53.620 65.398 1.00 0.00 WT2 H ATOM 28896 H2 TIP3 2024 80.874 54.548 64.218 1.00 0.00 WT2 H ATOM 28897 OH2 TIP3 2034 43.232 52.541 45.649 1.00 0.00 WT2 O ATOM 28898 H1 TIP3 2034 44.034 52.900 46.029 1.00 0.00 WT2 H ATOM 28899 H2 TIP3 2034 43.468 52.328 44.747 1.00 0.00 WT2 H ATOM 28900 OH2 TIP3 2037 63.535 30.129 46.236 1.00 0.00 WT2 O ATOM 28901 H1 TIP3 2037 62.943 29.791 46.907 1.00 0.00 WT2 H ATOM 28902 H2 TIP3 2037 63.096 30.910 45.899 1.00 0.00 WT2 H ATOM 28903 OH2 TIP3 2038 88.268 45.732 60.932 1.00 0.00 WT2 O ATOM 28904 H1 TIP3 2038 88.262 44.806 61.173 1.00 0.00 WT2 H ATOM 28905 H2 TIP3 2038 87.356 46.009 61.021 1.00 0.00 WT2 H ATOM 28906 OH2 TIP3 2039 22.597 93.380 10.981 1.00 0.00 WT2 O ATOM 28907 H1 TIP3 2039 22.222 92.565 10.646 1.00 0.00 WT2 H ATOM 28908 H2 TIP3 2039 21.838 93.927 11.184 1.00 0.00 WT2 H ATOM 28909 OH2 TIP3 2040 42.520 16.015 33.165 1.00 0.00 WT2 O ATOM 28910 H1 TIP3 2040 42.447 15.274 32.563 1.00 0.00 WT2 H ATOM 28911 H2 TIP3 2040 43.462 16.169 33.244 1.00 0.00 WT2 H ATOM 28912 OH2 TIP3 2042 46.636 62.769 15.712 1.00 0.00 WT2 O ATOM 28913 H1 TIP3 2042 47.207 62.013 15.578 1.00 0.00 WT2 H ATOM 28914 H2 TIP3 2042 47.214 63.526 15.619 1.00 0.00 WT2 H ATOM 28915 OH2 TIP3 2043 56.920 61.041 36.220 1.00 0.00 WT2 O ATOM 28916 H1 TIP3 2043 56.021 60.975 36.542 1.00 0.00 WT2 H ATOM 28917 H2 TIP3 2043 56.906 60.592 35.375 1.00 0.00 WT2 H ATOM 28918 OH2 TIP3 2044 55.329 87.616 0.378 1.00 0.00 WT2 O ATOM 28919 H1 TIP3 2044 55.787 86.840 0.054 1.00 0.00 WT2 H ATOM 28920 H2 TIP3 2044 55.363 88.236 -0.350 1.00 0.00 WT2 H ATOM 28921 OH2 TIP3 2046 52.143 31.393 -10.009 1.00 0.00 WT2 O ATOM 28922 H1 TIP3 2046 52.568 32.018 -9.422 1.00 0.00 WT2 H ATOM 28923 H2 TIP3 2046 51.207 31.507 -9.844 1.00 0.00 WT2 H ATOM 28924 OH2 TIP3 2059 63.952 47.241 -11.086 1.00 0.00 WT2 O ATOM 28925 H1 TIP3 2059 63.479 47.748 -10.426 1.00 0.00 WT2 H ATOM 28926 H2 TIP3 2059 64.784 47.020 -10.668 1.00 0.00 WT2 H ATOM 28927 OH2 TIP3 2060 54.621 38.811 59.908 1.00 0.00 WT2 O ATOM 28928 H1 TIP3 2060 54.438 39.098 60.803 1.00 0.00 WT2 H ATOM 28929 H2 TIP3 2060 54.177 37.967 59.831 1.00 0.00 WT2 H ATOM 28930 OH2 TIP3 2061 30.132 43.158 4.286 1.00 0.00 WT2 O ATOM 28931 H1 TIP3 2061 29.202 43.130 4.511 1.00 0.00 WT2 H ATOM 28932 H2 TIP3 2061 30.365 42.247 4.109 1.00 0.00 WT2 H ATOM 28933 OH2 TIP3 2062 59.266 64.617 45.021 1.00 0.00 WT2 O ATOM 28934 H1 TIP3 2062 58.988 65.159 44.282 1.00 0.00 WT2 H ATOM 28935 H2 TIP3 2062 58.850 63.769 44.866 1.00 0.00 WT2 H ATOM 28936 OH2 TIP3 2063 37.769 43.646 58.533 1.00 0.00 WT2 O ATOM 28937 H1 TIP3 2063 38.409 42.998 58.829 1.00 0.00 WT2 H ATOM 28938 H2 TIP3 2063 37.174 43.153 57.967 1.00 0.00 WT2 H ATOM 28939 OH2 TIP3 2064 24.221 22.184 60.212 1.00 0.00 WT2 O ATOM 28940 H1 TIP3 2064 24.501 23.061 59.951 1.00 0.00 WT2 H ATOM 28941 H2 TIP3 2064 24.718 21.595 59.645 1.00 0.00 WT2 H ATOM 28942 OH2 TIP3 2066 49.557 82.053 30.835 1.00 0.00 WT2 O ATOM 28943 H1 TIP3 2066 48.617 81.874 30.833 1.00 0.00 WT2 H ATOM 28944 H2 TIP3 2066 49.954 81.260 30.476 1.00 0.00 WT2 H ATOM 28945 OH2 TIP3 2079 69.693 32.353 53.633 1.00 0.00 WT2 O ATOM 28946 H1 TIP3 2079 69.706 32.740 52.758 1.00 0.00 WT2 H ATOM 28947 H2 TIP3 2079 68.765 32.318 53.867 1.00 0.00 WT2 H ATOM 28948 OH2 TIP3 2081 61.427 49.678 58.070 1.00 0.00 WT2 O ATOM 28949 H1 TIP3 2081 60.868 49.595 57.298 1.00 0.00 WT2 H ATOM 28950 H2 TIP3 2081 62.286 49.915 57.720 1.00 0.00 WT2 H ATOM 28951 OH2 TIP3 2082 40.646 56.358 -14.377 1.00 0.00 WT2 O ATOM 28952 H1 TIP3 2082 41.383 56.435 -13.771 1.00 0.00 WT2 H ATOM 28953 H2 TIP3 2082 40.458 57.258 -14.643 1.00 0.00 WT2 H ATOM 28954 OH2 TIP3 2083 48.229 89.054 22.017 1.00 0.00 WT2 O ATOM 28955 H1 TIP3 2083 47.821 89.372 21.212 1.00 0.00 WT2 H ATOM 28956 H2 TIP3 2083 47.550 88.528 22.439 1.00 0.00 WT2 H ATOM 28957 OH2 TIP3 2084 24.386 68.858 50.216 1.00 0.00 WT2 O ATOM 28958 H1 TIP3 2084 24.838 68.883 51.059 1.00 0.00 WT2 H ATOM 28959 H2 TIP3 2084 24.999 69.263 49.603 1.00 0.00 WT2 H ATOM 28960 OH2 TIP3 2088 41.624 85.773 31.784 1.00 0.00 WT2 O ATOM 28961 H1 TIP3 2088 40.766 85.427 32.030 1.00 0.00 WT2 H ATOM 28962 H2 TIP3 2088 41.799 86.460 32.427 1.00 0.00 WT2 H ATOM 28963 OH2 TIP3 2101 22.163 6.019 49.040 1.00 0.00 WT2 O ATOM 28964 H1 TIP3 2101 22.626 5.745 48.248 1.00 0.00 WT2 H ATOM 28965 H2 TIP3 2101 22.062 6.966 48.944 1.00 0.00 WT2 H ATOM 28966 OH2 TIP3 2102 64.191 93.262 6.202 1.00 0.00 WT2 O ATOM 28967 H1 TIP3 2102 63.830 93.445 7.070 1.00 0.00 WT2 H ATOM 28968 H2 TIP3 2102 64.890 92.627 6.362 1.00 0.00 WT2 H ATOM 28969 OH2 TIP3 2103 83.823 80.747 63.889 1.00 0.00 WT2 O ATOM 28970 H1 TIP3 2103 82.920 80.790 64.203 1.00 0.00 WT2 H ATOM 28971 H2 TIP3 2103 84.341 80.559 64.671 1.00 0.00 WT2 H ATOM 28972 OH2 TIP3 2104 22.685 40.151 60.734 1.00 0.00 WT2 O ATOM 28973 H1 TIP3 2104 22.164 39.967 61.515 1.00 0.00 WT2 H ATOM 28974 H2 TIP3 2104 23.560 40.349 61.070 1.00 0.00 WT2 H ATOM 28975 OH2 TIP3 2105 81.224 4.470 60.265 1.00 0.00 WT2 O ATOM 28976 H1 TIP3 2105 81.382 5.413 60.311 1.00 0.00 WT2 H ATOM 28977 H2 TIP3 2105 82.094 4.086 60.160 1.00 0.00 WT2 H ATOM 28978 OH2 TIP3 2106 80.914 68.644 47.496 1.00 0.00 WT2 O ATOM 28979 H1 TIP3 2106 80.471 68.147 46.808 1.00 0.00 WT2 H ATOM 28980 H2 TIP3 2106 80.563 68.289 48.312 1.00 0.00 WT2 H ATOM 28981 OH2 TIP3 2108 34.175 38.431 31.450 1.00 0.00 WT2 O ATOM 28982 H1 TIP3 2108 33.648 39.214 31.291 1.00 0.00 WT2 H ATOM 28983 H2 TIP3 2108 34.519 38.194 30.589 1.00 0.00 WT2 H ATOM 28984 OH2 TIP3 2122 53.538 73.637 42.540 1.00 0.00 WT2 O ATOM 28985 H1 TIP3 2122 52.716 74.105 42.391 1.00 0.00 WT2 H ATOM 28986 H2 TIP3 2122 53.371 73.098 43.313 1.00 0.00 WT2 H ATOM 28987 OH2 TIP3 2123 32.842 87.179 53.460 1.00 0.00 WT2 O ATOM 28988 H1 TIP3 2123 33.205 86.294 53.505 1.00 0.00 WT2 H ATOM 28989 H2 TIP3 2123 32.059 87.145 54.011 1.00 0.00 WT2 H ATOM 28990 OH2 TIP3 2124 41.048 75.433 -15.421 1.00 0.00 WT2 O ATOM 28991 H1 TIP3 2124 41.445 74.882 -14.746 1.00 0.00 WT2 H ATOM 28992 H2 TIP3 2124 40.859 74.831 -16.141 1.00 0.00 WT2 H ATOM 28993 OH2 TIP3 2125 21.727 18.386 -6.532 1.00 0.00 WT2 O ATOM 28994 H1 TIP3 2125 22.526 18.872 -6.326 1.00 0.00 WT2 H ATOM 28995 H2 TIP3 2125 21.073 19.062 -6.706 1.00 0.00 WT2 H ATOM 28996 OH2 TIP3 2126 70.915 75.680 1.951 1.00 0.00 WT2 O ATOM 28997 H1 TIP3 2126 70.592 74.842 2.282 1.00 0.00 WT2 H ATOM 28998 H2 TIP3 2126 71.589 75.943 2.578 1.00 0.00 WT2 H ATOM 28999 OH2 TIP3 2128 56.281 45.855 37.688 1.00 0.00 WT2 O ATOM 29000 H1 TIP3 2128 56.624 46.304 36.916 1.00 0.00 WT2 H ATOM 29001 H2 TIP3 2128 55.494 45.408 37.376 1.00 0.00 WT2 H ATOM 29002 OH2 TIP3 2129 78.027 35.393 20.318 1.00 0.00 WT2 O ATOM 29003 H1 TIP3 2129 77.570 34.595 20.583 1.00 0.00 WT2 H ATOM 29004 H2 TIP3 2129 77.396 35.861 19.772 1.00 0.00 WT2 H ATOM 29005 OH2 TIP3 2131 41.022 45.337 43.969 1.00 0.00 WT2 O ATOM 29006 H1 TIP3 2131 41.065 45.913 43.206 1.00 0.00 WT2 H ATOM 29007 H2 TIP3 2131 40.085 45.217 44.126 1.00 0.00 WT2 H ATOM 29008 OH2 TIP3 2143 34.442 53.676 50.002 1.00 0.00 WT2 O ATOM 29009 H1 TIP3 2143 34.880 54.522 50.095 1.00 0.00 WT2 H ATOM 29010 H2 TIP3 2143 33.935 53.578 50.807 1.00 0.00 WT2 H ATOM 29011 OH2 TIP3 2146 48.640 58.006 45.717 1.00 0.00 WT2 O ATOM 29012 H1 TIP3 2146 49.542 58.170 45.439 1.00 0.00 WT2 H ATOM 29013 H2 TIP3 2146 48.175 58.817 45.511 1.00 0.00 WT2 H ATOM 29014 OH2 TIP3 2148 23.409 74.442 39.793 1.00 0.00 WT2 O ATOM 29015 H1 TIP3 2148 23.306 74.789 38.907 1.00 0.00 WT2 H ATOM 29016 H2 TIP3 2148 24.162 73.854 39.734 1.00 0.00 WT2 H ATOM 29017 OH2 TIP3 2150 36.431 46.185 -14.379 1.00 0.00 WT2 O ATOM 29018 H1 TIP3 2150 37.155 46.808 -14.322 1.00 0.00 WT2 H ATOM 29019 H2 TIP3 2150 35.807 46.481 -13.716 1.00 0.00 WT2 H ATOM 29020 OH2 TIP3 2152 28.798 88.398 16.209 1.00 0.00 WT2 O ATOM 29021 H1 TIP3 2152 29.582 87.951 15.891 1.00 0.00 WT2 H ATOM 29022 H2 TIP3 2152 28.951 88.513 17.147 1.00 0.00 WT2 H ATOM 29023 OH2 TIP3 2163 42.911 79.482 60.565 1.00 0.00 WT2 O ATOM 29024 H1 TIP3 2163 42.322 79.688 61.290 1.00 0.00 WT2 H ATOM 29025 H2 TIP3 2163 43.736 79.910 60.796 1.00 0.00 WT2 H ATOM 29026 OH2 TIP3 2164 40.154 44.626 63.657 1.00 0.00 WT2 O ATOM 29027 H1 TIP3 2164 40.700 44.703 62.874 1.00 0.00 WT2 H ATOM 29028 H2 TIP3 2164 40.495 45.292 64.253 1.00 0.00 WT2 H ATOM 29029 OH2 TIP3 2165 50.674 28.393 49.357 1.00 0.00 WT2 O ATOM 29030 H1 TIP3 2165 50.109 27.621 49.325 1.00 0.00 WT2 H ATOM 29031 H2 TIP3 2165 50.144 29.060 49.795 1.00 0.00 WT2 H ATOM 29032 OH2 TIP3 2166 29.177 43.130 -10.741 1.00 0.00 WT2 O ATOM 29033 H1 TIP3 2166 28.992 42.248 -11.063 1.00 0.00 WT2 H ATOM 29034 H2 TIP3 2166 28.315 43.525 -10.614 1.00 0.00 WT2 H ATOM 29035 OH2 TIP3 2167 33.569 20.963 -18.753 1.00 0.00 WT2 O ATOM 29036 H1 TIP3 2167 32.924 20.408 -18.316 1.00 0.00 WT2 H ATOM 29037 H2 TIP3 2167 33.711 20.545 -19.602 1.00 0.00 WT2 H ATOM 29038 OH2 TIP3 2168 42.496 2.957 -17.666 1.00 0.00 WT2 O ATOM 29039 H1 TIP3 2168 43.293 3.161 -17.176 1.00 0.00 WT2 H ATOM 29040 H2 TIP3 2168 42.151 2.169 -17.247 1.00 0.00 WT2 H ATOM 29041 OH2 TIP3 2169 75.610 54.228 -16.898 1.00 0.00 WT2 O ATOM 29042 H1 TIP3 2169 75.134 54.375 -16.080 1.00 0.00 WT2 H ATOM 29043 H2 TIP3 2169 75.347 53.350 -17.174 1.00 0.00 WT2 H ATOM 29044 OH2 TIP3 2170 46.356 35.928 4.557 1.00 0.00 WT2 O ATOM 29045 H1 TIP3 2170 46.768 36.038 5.414 1.00 0.00 WT2 H ATOM 29046 H2 TIP3 2170 46.721 35.110 4.218 1.00 0.00 WT2 H ATOM 29047 OH2 TIP3 2183 41.040 53.673 -11.662 1.00 0.00 WT2 O ATOM 29048 H1 TIP3 2183 41.024 54.466 -11.126 1.00 0.00 WT2 H ATOM 29049 H2 TIP3 2183 40.428 53.078 -11.228 1.00 0.00 WT2 H ATOM 29050 OH2 TIP3 2185 30.059 49.536 19.474 1.00 0.00 WT2 O ATOM 29051 H1 TIP3 2185 30.741 48.933 19.176 1.00 0.00 WT2 H ATOM 29052 H2 TIP3 2185 30.467 50.400 19.430 1.00 0.00 WT2 H ATOM 29053 OH2 TIP3 2186 71.880 15.721 55.639 1.00 0.00 WT2 O ATOM 29054 H1 TIP3 2186 72.154 14.998 56.203 1.00 0.00 WT2 H ATOM 29055 H2 TIP3 2186 71.235 15.333 55.047 1.00 0.00 WT2 H ATOM 29056 OH2 TIP3 2187 79.359 82.557 10.182 1.00 0.00 WT2 O ATOM 29057 H1 TIP3 2187 79.227 83.464 10.457 1.00 0.00 WT2 H ATOM 29058 H2 TIP3 2187 79.957 82.192 10.834 1.00 0.00 WT2 H ATOM 29059 OH2 TIP3 2188 60.668 90.760 35.368 1.00 0.00 WT2 O ATOM 29060 H1 TIP3 2188 61.268 90.153 34.935 1.00 0.00 WT2 H ATOM 29061 H2 TIP3 2188 59.888 90.762 34.814 1.00 0.00 WT2 H ATOM 29062 OH2 TIP3 2189 80.939 59.012 -13.369 1.00 0.00 WT2 O ATOM 29063 H1 TIP3 2189 80.149 58.675 -13.792 1.00 0.00 WT2 H ATOM 29064 H2 TIP3 2189 80.641 59.316 -12.512 1.00 0.00 WT2 H ATOM 29065 OH2 TIP3 2190 43.536 51.460 32.986 1.00 0.00 WT2 O ATOM 29066 H1 TIP3 2190 43.786 52.229 32.475 1.00 0.00 WT2 H ATOM 29067 H2 TIP3 2190 42.713 51.167 32.593 1.00 0.00 WT2 H ATOM 29068 OH2 TIP3 2191 37.165 60.160 32.807 1.00 0.00 WT2 O ATOM 29069 H1 TIP3 2191 37.678 60.275 32.007 1.00 0.00 WT2 H ATOM 29070 H2 TIP3 2191 37.561 59.403 33.239 1.00 0.00 WT2 H ATOM 29071 OH2 TIP3 2193 50.857 29.482 -5.523 1.00 0.00 WT2 O ATOM 29072 H1 TIP3 2193 51.075 30.052 -4.786 1.00 0.00 WT2 H ATOM 29073 H2 TIP3 2193 50.176 28.901 -5.185 1.00 0.00 WT2 H ATOM 29074 OH2 TIP3 2205 84.161 46.663 25.540 1.00 0.00 WT2 O ATOM 29075 H1 TIP3 2205 83.542 46.878 26.238 1.00 0.00 WT2 H ATOM 29076 H2 TIP3 2205 84.808 46.097 25.959 1.00 0.00 WT2 H ATOM 29077 OH2 TIP3 2206 49.359 51.464 25.469 1.00 0.00 WT2 O ATOM 29078 H1 TIP3 2206 49.749 52.024 24.797 1.00 0.00 WT2 H ATOM 29079 H2 TIP3 2206 49.130 50.658 25.007 1.00 0.00 WT2 H ATOM 29080 OH2 TIP3 2207 37.782 19.704 59.174 1.00 0.00 WT2 O ATOM 29081 H1 TIP3 2207 38.447 19.804 58.493 1.00 0.00 WT2 H ATOM 29082 H2 TIP3 2207 37.345 18.879 58.964 1.00 0.00 WT2 H ATOM 29083 OH2 TIP3 2208 35.952 55.323 56.439 1.00 0.00 WT2 O ATOM 29084 H1 TIP3 2208 36.467 56.125 56.348 1.00 0.00 WT2 H ATOM 29085 H2 TIP3 2208 35.266 55.402 55.776 1.00 0.00 WT2 H ATOM 29086 OH2 TIP3 2209 43.349 16.590 42.574 1.00 0.00 WT2 O ATOM 29087 H1 TIP3 2209 42.418 16.707 42.387 1.00 0.00 WT2 H ATOM 29088 H2 TIP3 2209 43.565 15.739 42.194 1.00 0.00 WT2 H ATOM 29089 OH2 TIP3 2227 85.774 3.348 51.868 1.00 0.00 WT2 O ATOM 29090 H1 TIP3 2227 85.123 3.207 51.180 1.00 0.00 WT2 H ATOM 29091 H2 TIP3 2227 85.258 3.509 52.658 1.00 0.00 WT2 H ATOM 29092 OH2 TIP3 2228 71.469 65.238 46.514 1.00 0.00 WT2 O ATOM 29093 H1 TIP3 2228 72.312 64.946 46.166 1.00 0.00 WT2 H ATOM 29094 H2 TIP3 2228 70.938 65.416 45.738 1.00 0.00 WT2 H ATOM 29095 OH2 TIP3 2229 36.776 3.100 54.130 1.00 0.00 WT2 O ATOM 29096 H1 TIP3 2229 36.179 3.766 53.791 1.00 0.00 WT2 H ATOM 29097 H2 TIP3 2229 36.202 2.429 54.501 1.00 0.00 WT2 H ATOM 29098 OH2 TIP3 2230 57.037 47.743 -18.080 1.00 0.00 WT2 O ATOM 29099 H1 TIP3 2230 57.354 47.729 -18.983 1.00 0.00 WT2 H ATOM 29100 H2 TIP3 2230 57.809 47.538 -17.552 1.00 0.00 WT2 H ATOM 29101 OH2 TIP3 2231 28.417 79.644 17.749 1.00 0.00 WT2 O ATOM 29102 H1 TIP3 2231 27.589 79.594 17.272 1.00 0.00 WT2 H ATOM 29103 H2 TIP3 2231 28.188 79.420 18.651 1.00 0.00 WT2 H ATOM 29104 OH2 TIP3 2232 39.019 85.235 19.763 1.00 0.00 WT2 O ATOM 29105 H1 TIP3 2232 39.283 84.450 19.283 1.00 0.00 WT2 H ATOM 29106 H2 TIP3 2232 39.698 85.880 19.562 1.00 0.00 WT2 H ATOM 29107 OH2 TIP3 2233 47.727 45.014 -4.998 1.00 0.00 WT2 O ATOM 29108 H1 TIP3 2233 47.232 44.331 -5.451 1.00 0.00 WT2 H ATOM 29109 H2 TIP3 2233 48.642 44.752 -5.097 1.00 0.00 WT2 H ATOM 29110 OH2 TIP3 2244 44.704 42.389 -12.559 1.00 0.00 WT2 O ATOM 29111 H1 TIP3 2244 43.886 42.421 -13.055 1.00 0.00 WT2 H ATOM 29112 H2 TIP3 2244 45.267 43.036 -12.983 1.00 0.00 WT2 H ATOM 29113 OH2 TIP3 2250 22.307 43.494 22.837 1.00 0.00 WT2 O ATOM 29114 H1 TIP3 2250 22.334 44.411 23.110 1.00 0.00 WT2 H ATOM 29115 H2 TIP3 2250 23.196 43.307 22.536 1.00 0.00 WT2 H ATOM 29116 OH2 TIP3 2251 60.521 9.433 55.665 1.00 0.00 WT2 O ATOM 29117 H1 TIP3 2251 60.021 8.886 55.059 1.00 0.00 WT2 H ATOM 29118 H2 TIP3 2251 60.347 9.056 56.528 1.00 0.00 WT2 H ATOM 29119 OH2 TIP3 2252 82.950 48.187 33.132 1.00 0.00 WT2 O ATOM 29120 H1 TIP3 2252 83.783 47.847 32.806 1.00 0.00 WT2 H ATOM 29121 H2 TIP3 2252 83.196 48.867 33.758 1.00 0.00 WT2 H ATOM 29122 OH2 TIP3 2253 40.668 16.893 41.810 1.00 0.00 WT2 O ATOM 29123 H1 TIP3 2253 40.839 16.469 40.968 1.00 0.00 WT2 H ATOM 29124 H2 TIP3 2253 40.060 17.602 41.602 1.00 0.00 WT2 H ATOM 29125 OH2 TIP3 2254 48.385 28.927 60.290 1.00 0.00 WT2 O ATOM 29126 H1 TIP3 2254 48.409 28.608 59.388 1.00 0.00 WT2 H ATOM 29127 H2 TIP3 2254 48.234 29.869 60.207 1.00 0.00 WT2 H ATOM 29128 OH2 TIP3 2255 56.421 61.345 51.226 1.00 0.00 WT2 O ATOM 29129 H1 TIP3 2255 56.774 62.233 51.172 1.00 0.00 WT2 H ATOM 29130 H2 TIP3 2255 55.566 61.400 50.799 1.00 0.00 WT2 H ATOM 29131 OH2 TIP3 2269 83.808 48.555 61.980 1.00 0.00 WT2 O ATOM 29132 H1 TIP3 2269 83.197 49.192 62.350 1.00 0.00 WT2 H ATOM 29133 H2 TIP3 2269 84.449 49.084 61.505 1.00 0.00 WT2 H ATOM 29134 OH2 TIP3 2270 63.926 47.431 40.461 1.00 0.00 WT2 O ATOM 29135 H1 TIP3 2270 64.520 48.020 39.997 1.00 0.00 WT2 H ATOM 29136 H2 TIP3 2270 63.189 47.311 39.862 1.00 0.00 WT2 H ATOM 29137 OH2 TIP3 2271 36.023 92.753 12.137 1.00 0.00 WT2 O ATOM 29138 H1 TIP3 2271 36.056 92.146 12.876 1.00 0.00 WT2 H ATOM 29139 H2 TIP3 2271 36.525 93.514 12.428 1.00 0.00 WT2 H ATOM 29140 OH2 TIP3 2272 83.542 46.707 46.941 1.00 0.00 WT2 O ATOM 29141 H1 TIP3 2272 84.169 46.742 46.220 1.00 0.00 WT2 H ATOM 29142 H2 TIP3 2272 84.072 46.832 47.728 1.00 0.00 WT2 H ATOM 29143 OH2 TIP3 2273 63.635 54.560 3.859 1.00 0.00 WT2 O ATOM 29144 H1 TIP3 2273 63.346 53.938 4.527 1.00 0.00 WT2 H ATOM 29145 H2 TIP3 2273 64.589 54.478 3.852 1.00 0.00 WT2 H ATOM 29146 OH2 TIP3 2274 42.211 67.633 63.465 1.00 0.00 WT2 O ATOM 29147 H1 TIP3 2274 41.484 67.088 63.166 1.00 0.00 WT2 H ATOM 29148 H2 TIP3 2274 41.792 68.358 63.929 1.00 0.00 WT2 H ATOM 29149 OH2 TIP3 2275 55.869 20.298 62.201 1.00 0.00 WT2 O ATOM 29150 H1 TIP3 2275 55.067 20.430 61.694 1.00 0.00 WT2 H ATOM 29151 H2 TIP3 2275 56.095 21.171 62.522 1.00 0.00 WT2 H ATOM 29152 OH2 TIP3 2276 66.119 15.740 -10.365 1.00 0.00 WT2 O ATOM 29153 H1 TIP3 2276 65.314 16.214 -10.155 1.00 0.00 WT2 H ATOM 29154 H2 TIP3 2276 66.251 15.151 -9.622 1.00 0.00 WT2 H ATOM 29155 OH2 TIP3 2277 82.401 19.169 8.421 1.00 0.00 WT2 O ATOM 29156 H1 TIP3 2277 82.391 19.876 9.067 1.00 0.00 WT2 H ATOM 29157 H2 TIP3 2277 81.763 18.535 8.749 1.00 0.00 WT2 H ATOM 29158 OH2 TIP3 2280 45.742 96.222 38.838 1.00 0.00 WT2 O ATOM 29159 H1 TIP3 2280 46.242 95.448 38.579 1.00 0.00 WT2 H ATOM 29160 H2 TIP3 2280 45.037 96.279 38.193 1.00 0.00 WT2 H ATOM 29161 OH2 TIP3 2288 69.113 89.485 16.232 1.00 0.00 WT2 O ATOM 29162 H1 TIP3 2288 70.019 89.790 16.186 1.00 0.00 WT2 H ATOM 29163 H2 TIP3 2288 68.843 89.670 17.132 1.00 0.00 WT2 H ATOM 29164 OH2 TIP3 2290 73.380 71.692 13.977 1.00 0.00 WT2 O ATOM 29165 H1 TIP3 2290 72.598 71.968 13.499 1.00 0.00 WT2 H ATOM 29166 H2 TIP3 2290 73.393 70.739 13.884 1.00 0.00 WT2 H ATOM 29167 OH2 TIP3 2292 30.736 8.957 61.126 1.00 0.00 WT2 O ATOM 29168 H1 TIP3 2292 30.981 9.854 60.896 1.00 0.00 WT2 H ATOM 29169 H2 TIP3 2292 30.735 8.487 60.293 1.00 0.00 WT2 H ATOM 29170 OH2 TIP3 2293 31.580 79.090 49.739 1.00 0.00 WT2 O ATOM 29171 H1 TIP3 2293 32.448 78.692 49.807 1.00 0.00 WT2 H ATOM 29172 H2 TIP3 2293 31.301 78.905 48.842 1.00 0.00 WT2 H ATOM 29173 OH2 TIP3 2294 29.866 4.250 42.798 1.00 0.00 WT2 O ATOM 29174 H1 TIP3 2294 30.090 4.371 41.876 1.00 0.00 WT2 H ATOM 29175 H2 TIP3 2294 30.648 3.859 43.186 1.00 0.00 WT2 H ATOM 29176 OH2 TIP3 2296 88.907 67.214 18.817 1.00 0.00 WT2 O ATOM 29177 H1 TIP3 2296 89.332 67.737 18.137 1.00 0.00 WT2 H ATOM 29178 H2 TIP3 2296 88.442 66.528 18.337 1.00 0.00 WT2 H ATOM 29179 OH2 TIP3 2309 90.174 52.492 22.196 1.00 0.00 WT2 O ATOM 29180 H1 TIP3 2309 89.776 53.231 21.736 1.00 0.00 WT2 H ATOM 29181 H2 TIP3 2309 89.610 52.348 22.955 1.00 0.00 WT2 H ATOM 29182 OH2 TIP3 2311 41.971 79.248 46.128 1.00 0.00 WT2 O ATOM 29183 H1 TIP3 2311 41.608 78.458 45.728 1.00 0.00 WT2 H ATOM 29184 H2 TIP3 2311 41.490 79.967 45.720 1.00 0.00 WT2 H ATOM 29185 OH2 TIP3 2312 89.543 12.876 66.579 1.00 0.00 WT2 O ATOM 29186 H1 TIP3 2312 89.631 12.591 67.489 1.00 0.00 WT2 H ATOM 29187 H2 TIP3 2312 90.439 12.882 66.242 1.00 0.00 WT2 H ATOM 29188 OH2 TIP3 2313 86.504 67.303 36.133 1.00 0.00 WT2 O ATOM 29189 H1 TIP3 2313 87.449 67.173 36.209 1.00 0.00 WT2 H ATOM 29190 H2 TIP3 2313 86.205 66.575 35.588 1.00 0.00 WT2 H ATOM 29191 OH2 TIP3 2314 23.684 18.040 9.008 1.00 0.00 WT2 O ATOM 29192 H1 TIP3 2314 24.230 17.517 9.596 1.00 0.00 WT2 H ATOM 29193 H2 TIP3 2314 24.144 18.876 8.935 1.00 0.00 WT2 H ATOM 29194 OH2 TIP3 2315 34.728 52.923 -17.971 1.00 0.00 WT2 O ATOM 29195 H1 TIP3 2315 34.809 52.031 -18.307 1.00 0.00 WT2 H ATOM 29196 H2 TIP3 2315 34.105 52.852 -17.248 1.00 0.00 WT2 H ATOM 29197 OH2 TIP3 2316 66.436 27.682 26.048 1.00 0.00 WT2 O ATOM 29198 H1 TIP3 2316 66.447 27.395 25.135 1.00 0.00 WT2 H ATOM 29199 H2 TIP3 2316 65.552 27.480 26.353 1.00 0.00 WT2 H ATOM 29200 OH2 TIP3 2317 71.353 76.806 9.632 1.00 0.00 WT2 O ATOM 29201 H1 TIP3 2317 70.884 77.639 9.588 1.00 0.00 WT2 H ATOM 29202 H2 TIP3 2317 71.034 76.393 10.434 1.00 0.00 WT2 H ATOM 29203 OH2 TIP3 2318 30.793 79.766 -11.817 1.00 0.00 WT2 O ATOM 29204 H1 TIP3 2318 31.652 79.634 -12.217 1.00 0.00 WT2 H ATOM 29205 H2 TIP3 2318 30.619 80.701 -11.926 1.00 0.00 WT2 H ATOM 29206 OH2 TIP3 2319 46.234 11.993 19.677 1.00 0.00 WT2 O ATOM 29207 H1 TIP3 2319 46.553 11.720 18.816 1.00 0.00 WT2 H ATOM 29208 H2 TIP3 2319 46.010 12.917 19.568 1.00 0.00 WT2 H ATOM 29209 OH2 TIP3 2329 77.958 47.376 5.654 1.00 0.00 WT2 O ATOM 29210 H1 TIP3 2329 77.620 46.981 6.457 1.00 0.00 WT2 H ATOM 29211 H2 TIP3 2329 78.894 47.493 5.820 1.00 0.00 WT2 H ATOM 29212 OH2 TIP3 2331 50.323 36.063 12.706 1.00 0.00 WT2 O ATOM 29213 H1 TIP3 2331 49.633 35.593 12.238 1.00 0.00 WT2 H ATOM 29214 H2 TIP3 2331 50.205 35.813 13.622 1.00 0.00 WT2 H ATOM 29215 OH2 TIP3 2332 43.780 84.429 -4.360 1.00 0.00 WT2 O ATOM 29216 H1 TIP3 2332 43.444 84.405 -3.464 1.00 0.00 WT2 H ATOM 29217 H2 TIP3 2332 44.728 84.340 -4.263 1.00 0.00 WT2 H ATOM 29218 OH2 TIP3 2333 60.683 41.258 23.525 1.00 0.00 WT2 O ATOM 29219 H1 TIP3 2333 61.181 41.930 23.060 1.00 0.00 WT2 H ATOM 29220 H2 TIP3 2333 59.834 41.664 23.697 1.00 0.00 WT2 H ATOM 29221 OH2 TIP3 2335 71.945 90.837 -4.667 1.00 0.00 WT2 O ATOM 29222 H1 TIP3 2335 72.051 90.135 -5.309 1.00 0.00 WT2 H ATOM 29223 H2 TIP3 2335 71.070 91.187 -4.835 1.00 0.00 WT2 H ATOM 29224 OH2 TIP3 2336 32.335 67.383 28.938 1.00 0.00 WT2 O ATOM 29225 H1 TIP3 2336 32.724 67.776 29.719 1.00 0.00 WT2 H ATOM 29226 H2 TIP3 2336 31.708 66.744 29.277 1.00 0.00 WT2 H ATOM 29227 OH2 TIP3 2337 52.493 36.998 59.526 1.00 0.00 WT2 O ATOM 29228 H1 TIP3 2337 52.192 36.302 60.111 1.00 0.00 WT2 H ATOM 29229 H2 TIP3 2337 51.753 37.603 59.472 1.00 0.00 WT2 H ATOM 29230 OH2 TIP3 2338 23.245 32.380 20.567 1.00 0.00 WT2 O ATOM 29231 H1 TIP3 2338 24.115 32.552 20.207 1.00 0.00 WT2 H ATOM 29232 H2 TIP3 2338 22.803 33.228 20.544 1.00 0.00 WT2 H ATOM 29233 OH2 TIP3 2339 45.055 4.639 47.562 1.00 0.00 WT2 O ATOM 29234 H1 TIP3 2339 44.115 4.470 47.498 1.00 0.00 WT2 H ATOM 29235 H2 TIP3 2339 45.362 4.635 46.655 1.00 0.00 WT2 H ATOM 29236 OH2 TIP3 2351 34.108 21.467 40.196 1.00 0.00 WT2 O ATOM 29237 H1 TIP3 2351 34.726 20.864 39.781 1.00 0.00 WT2 H ATOM 29238 H2 TIP3 2351 33.851 22.067 39.495 1.00 0.00 WT2 H ATOM 29239 OH2 TIP3 2352 60.834 81.703 -19.527 1.00 0.00 WT2 O ATOM 29240 H1 TIP3 2352 61.415 82.355 -19.136 1.00 0.00 WT2 H ATOM 29241 H2 TIP3 2352 60.604 82.068 -20.382 1.00 0.00 WT2 H ATOM 29242 OH2 TIP3 2354 45.075 24.043 1.665 1.00 0.00 WT2 O ATOM 29243 H1 TIP3 2354 44.597 24.871 1.603 1.00 0.00 WT2 H ATOM 29244 H2 TIP3 2354 45.944 24.291 1.981 1.00 0.00 WT2 H ATOM 29245 OH2 TIP3 2355 41.002 37.951 2.180 1.00 0.00 WT2 O ATOM 29246 H1 TIP3 2355 41.149 38.874 2.388 1.00 0.00 WT2 H ATOM 29247 H2 TIP3 2355 40.321 37.672 2.793 1.00 0.00 WT2 H ATOM 29248 OH2 TIP3 2357 22.224 85.083 -11.952 1.00 0.00 WT2 O ATOM 29249 H1 TIP3 2357 21.515 85.092 -12.595 1.00 0.00 WT2 H ATOM 29250 H2 TIP3 2357 22.073 84.289 -11.439 1.00 0.00 WT2 H ATOM 29251 OH2 TIP3 2358 33.609 2.377 52.943 1.00 0.00 WT2 O ATOM 29252 H1 TIP3 2358 33.445 3.318 53.016 1.00 0.00 WT2 H ATOM 29253 H2 TIP3 2358 33.939 2.124 53.805 1.00 0.00 WT2 H ATOM 29254 OH2 TIP3 2359 70.931 38.767 64.190 1.00 0.00 WT2 O ATOM 29255 H1 TIP3 2359 71.475 39.510 63.929 1.00 0.00 WT2 H ATOM 29256 H2 TIP3 2359 70.581 39.016 65.045 1.00 0.00 WT2 H ATOM 29257 OH2 TIP3 2376 30.871 42.766 50.195 1.00 0.00 WT2 O ATOM 29258 H1 TIP3 2376 31.049 43.248 49.388 1.00 0.00 WT2 H ATOM 29259 H2 TIP3 2376 30.032 42.332 50.036 1.00 0.00 WT2 H ATOM 29260 OH2 TIP3 2377 67.958 6.225 43.126 1.00 0.00 WT2 O ATOM 29261 H1 TIP3 2377 67.977 5.416 42.615 1.00 0.00 WT2 H ATOM 29262 H2 TIP3 2377 68.483 6.842 42.617 1.00 0.00 WT2 H ATOM 29263 OH2 TIP3 2378 52.912 1.405 61.722 1.00 0.00 WT2 O ATOM 29264 H1 TIP3 2378 53.227 1.063 60.885 1.00 0.00 WT2 H ATOM 29265 H2 TIP3 2378 53.706 1.537 62.241 1.00 0.00 WT2 H ATOM 29266 OH2 TIP3 2380 59.268 5.594 40.355 1.00 0.00 WT2 O ATOM 29267 H1 TIP3 2380 58.784 6.366 40.649 1.00 0.00 WT2 H ATOM 29268 H2 TIP3 2380 59.601 5.199 41.161 1.00 0.00 WT2 H ATOM 29269 OH2 TIP3 2395 43.328 39.102 45.202 1.00 0.00 WT2 O ATOM 29270 H1 TIP3 2395 43.312 39.159 46.157 1.00 0.00 WT2 H ATOM 29271 H2 TIP3 2395 42.414 38.958 44.955 1.00 0.00 WT2 H ATOM 29272 OH2 TIP3 2397 28.118 48.968 15.240 1.00 0.00 WT2 O ATOM 29273 H1 TIP3 2397 29.070 48.923 15.159 1.00 0.00 WT2 H ATOM 29274 H2 TIP3 2397 27.821 49.314 14.399 1.00 0.00 WT2 H ATOM 29275 OH2 TIP3 2398 76.982 1.977 4.726 1.00 0.00 WT2 O ATOM 29276 H1 TIP3 2398 77.673 1.618 5.283 1.00 0.00 WT2 H ATOM 29277 H2 TIP3 2398 76.179 1.859 5.235 1.00 0.00 WT2 H ATOM 29278 OH2 TIP3 2399 55.952 19.373 -10.495 1.00 0.00 WT2 O ATOM 29279 H1 TIP3 2399 55.484 18.991 -9.753 1.00 0.00 WT2 H ATOM 29280 H2 TIP3 2399 56.799 19.637 -10.135 1.00 0.00 WT2 H ATOM 29281 OH2 TIP3 2400 28.447 86.342 56.869 1.00 0.00 WT2 O ATOM 29282 H1 TIP3 2400 27.604 86.776 57.000 1.00 0.00 WT2 H ATOM 29283 H2 TIP3 2400 29.092 87.046 56.933 1.00 0.00 WT2 H ATOM 29284 OH2 TIP3 2416 41.350 67.445 8.447 1.00 0.00 WT2 O ATOM 29285 H1 TIP3 2416 40.934 66.654 8.104 1.00 0.00 WT2 H ATOM 29286 H2 TIP3 2416 41.675 67.191 9.310 1.00 0.00 WT2 H ATOM 29287 OH2 TIP3 2417 23.525 30.753 23.634 1.00 0.00 WT2 O ATOM 29288 H1 TIP3 2417 23.689 30.476 22.733 1.00 0.00 WT2 H ATOM 29289 H2 TIP3 2417 24.131 31.481 23.775 1.00 0.00 WT2 H ATOM 29290 OH2 TIP3 2418 85.740 44.879 -6.517 1.00 0.00 WT2 O ATOM 29291 H1 TIP3 2418 85.656 44.123 -5.937 1.00 0.00 WT2 H ATOM 29292 H2 TIP3 2418 86.622 45.212 -6.352 1.00 0.00 WT2 H ATOM 29293 OH2 TIP3 2419 59.499 83.644 40.291 1.00 0.00 WT2 O ATOM 29294 H1 TIP3 2419 60.299 83.123 40.232 1.00 0.00 WT2 H ATOM 29295 H2 TIP3 2419 59.733 84.382 40.854 1.00 0.00 WT2 H ATOM 29296 OH2 TIP3 2421 36.501 43.899 67.255 1.00 0.00 WT2 O ATOM 29297 H1 TIP3 2421 36.199 44.554 66.627 1.00 0.00 WT2 H ATOM 29298 H2 TIP3 2421 37.432 44.088 67.370 1.00 0.00 WT2 H ATOM 29299 OH2 TIP3 2423 52.421 13.067 8.100 1.00 0.00 WT2 O ATOM 29300 H1 TIP3 2423 52.602 13.818 7.535 1.00 0.00 WT2 H ATOM 29301 H2 TIP3 2423 51.522 13.201 8.398 1.00 0.00 WT2 H ATOM 29302 OH2 TIP3 2436 55.580 72.086 58.768 1.00 0.00 WT2 O ATOM 29303 H1 TIP3 2436 55.089 71.906 59.570 1.00 0.00 WT2 H ATOM 29304 H2 TIP3 2436 55.247 72.931 58.467 1.00 0.00 WT2 H ATOM 29305 OH2 TIP3 2438 88.740 43.672 -19.741 1.00 0.00 WT2 O ATOM 29306 H1 TIP3 2438 88.286 42.916 -19.370 1.00 0.00 WT2 H ATOM 29307 H2 TIP3 2438 88.040 44.281 -19.974 1.00 0.00 WT2 H ATOM 29308 OH2 TIP3 2440 87.556 19.842 47.799 1.00 0.00 WT2 O ATOM 29309 H1 TIP3 2440 86.904 19.870 48.498 1.00 0.00 WT2 H ATOM 29310 H2 TIP3 2440 87.049 19.680 47.003 1.00 0.00 WT2 H ATOM 29311 OH2 TIP3 2441 49.370 9.311 34.699 1.00 0.00 WT2 O ATOM 29312 H1 TIP3 2441 49.979 8.946 34.057 1.00 0.00 WT2 H ATOM 29313 H2 TIP3 2441 48.835 8.567 34.973 1.00 0.00 WT2 H ATOM 29314 OH2 TIP3 2442 69.508 25.704 54.707 1.00 0.00 WT2 O ATOM 29315 H1 TIP3 2442 70.173 25.368 54.107 1.00 0.00 WT2 H ATOM 29316 H2 TIP3 2442 68.809 26.023 54.136 1.00 0.00 WT2 H ATOM 29317 OH2 TIP3 2447 33.923 20.424 16.713 1.00 0.00 WT2 O ATOM 29318 H1 TIP3 2447 33.868 21.296 16.322 1.00 0.00 WT2 H ATOM 29319 H2 TIP3 2447 33.487 19.850 16.083 1.00 0.00 WT2 H ATOM 29320 OH2 TIP3 2458 70.321 51.189 58.403 1.00 0.00 WT2 O ATOM 29321 H1 TIP3 2458 69.990 51.911 57.869 1.00 0.00 WT2 H ATOM 29322 H2 TIP3 2458 71.077 50.859 57.918 1.00 0.00 WT2 H ATOM 29323 OH2 TIP3 2459 81.966 24.621 62.864 1.00 0.00 WT2 O ATOM 29324 H1 TIP3 2459 81.945 25.472 62.426 1.00 0.00 WT2 H ATOM 29325 H2 TIP3 2459 82.777 24.633 63.373 1.00 0.00 WT2 H ATOM 29326 OH2 TIP3 2460 61.156 43.135 64.052 1.00 0.00 WT2 O ATOM 29327 H1 TIP3 2460 60.690 42.570 63.436 1.00 0.00 WT2 H ATOM 29328 H2 TIP3 2460 60.871 44.021 63.827 1.00 0.00 WT2 H ATOM 29329 OH2 TIP3 2461 80.575 73.926 11.203 1.00 0.00 WT2 O ATOM 29330 H1 TIP3 2461 79.725 74.289 10.951 1.00 0.00 WT2 H ATOM 29331 H2 TIP3 2461 81.136 74.692 11.326 1.00 0.00 WT2 H ATOM 29332 OH2 TIP3 2463 64.125 72.417 -15.384 1.00 0.00 WT2 O ATOM 29333 H1 TIP3 2463 63.337 72.626 -14.881 1.00 0.00 WT2 H ATOM 29334 H2 TIP3 2463 64.026 72.906 -16.200 1.00 0.00 WT2 H ATOM 29335 OH2 TIP3 2465 74.072 24.198 -18.188 1.00 0.00 WT2 O ATOM 29336 H1 TIP3 2465 73.836 24.055 -19.104 1.00 0.00 WT2 H ATOM 29337 H2 TIP3 2465 74.460 25.073 -18.174 1.00 0.00 WT2 H ATOM 29338 OH2 TIP3 2477 61.965 63.386 32.979 1.00 0.00 WT2 O ATOM 29339 H1 TIP3 2477 61.747 62.487 32.733 1.00 0.00 WT2 H ATOM 29340 H2 TIP3 2477 61.184 63.893 32.755 1.00 0.00 WT2 H ATOM 29341 OH2 TIP3 2480 78.728 71.632 -19.255 1.00 0.00 WT2 O ATOM 29342 H1 TIP3 2480 78.013 72.243 -19.074 1.00 0.00 WT2 H ATOM 29343 H2 TIP3 2480 78.449 70.810 -18.853 1.00 0.00 WT2 H ATOM 29344 OH2 TIP3 2482 46.722 34.556 40.362 1.00 0.00 WT2 O ATOM 29345 H1 TIP3 2482 46.678 35.488 40.148 1.00 0.00 WT2 H ATOM 29346 H2 TIP3 2482 47.594 34.285 40.073 1.00 0.00 WT2 H ATOM 29347 OH2 TIP3 2483 54.768 45.181 63.181 1.00 0.00 WT2 O ATOM 29348 H1 TIP3 2483 55.714 45.132 63.045 1.00 0.00 WT2 H ATOM 29349 H2 TIP3 2483 54.660 45.148 64.131 1.00 0.00 WT2 H ATOM 29350 OH2 TIP3 2484 29.032 46.603 61.898 1.00 0.00 WT2 O ATOM 29351 H1 TIP3 2484 28.707 46.766 62.783 1.00 0.00 WT2 H ATOM 29352 H2 TIP3 2484 29.865 47.073 61.858 1.00 0.00 WT2 H ATOM 29353 OH2 TIP3 2499 87.572 65.912 59.652 1.00 0.00 WT2 O ATOM 29354 H1 TIP3 2499 87.694 65.875 60.601 1.00 0.00 WT2 H ATOM 29355 H2 TIP3 2499 87.361 66.828 59.473 1.00 0.00 WT2 H ATOM 29356 OH2 TIP3 2500 34.979 41.930 5.399 1.00 0.00 WT2 O ATOM 29357 H1 TIP3 2500 35.617 41.825 6.105 1.00 0.00 WT2 H ATOM 29358 H2 TIP3 2500 35.494 42.244 4.656 1.00 0.00 WT2 H ATOM 29359 OH2 TIP3 2503 24.467 18.580 50.089 1.00 0.00 WT2 O ATOM 29360 H1 TIP3 2503 23.824 19.008 49.525 1.00 0.00 WT2 H ATOM 29361 H2 TIP3 2503 24.385 19.029 50.931 1.00 0.00 WT2 H ATOM 29362 OH2 TIP3 2508 62.838 95.232 38.258 1.00 0.00 WT2 O ATOM 29363 H1 TIP3 2508 63.064 96.100 38.591 1.00 0.00 WT2 H ATOM 29364 H2 TIP3 2508 63.599 94.689 38.468 1.00 0.00 WT2 H ATOM 29365 OH2 TIP3 2519 39.858 6.434 -10.530 1.00 0.00 WT2 O ATOM 29366 H1 TIP3 2519 39.292 6.461 -9.759 1.00 0.00 WT2 H ATOM 29367 H2 TIP3 2519 40.089 7.349 -10.691 1.00 0.00 WT2 H ATOM 29368 OH2 TIP3 2521 50.705 82.509 -15.003 1.00 0.00 WT2 O ATOM 29369 H1 TIP3 2521 49.769 82.639 -14.852 1.00 0.00 WT2 H ATOM 29370 H2 TIP3 2521 50.763 81.653 -15.427 1.00 0.00 WT2 H ATOM 29371 OH2 TIP3 2522 79.697 58.684 46.398 1.00 0.00 WT2 O ATOM 29372 H1 TIP3 2522 79.381 58.080 45.727 1.00 0.00 WT2 H ATOM 29373 H2 TIP3 2522 79.091 58.567 47.130 1.00 0.00 WT2 H ATOM 29374 OH2 TIP3 2523 28.886 95.926 40.490 1.00 0.00 WT2 O ATOM 29375 H1 TIP3 2523 29.790 95.803 40.199 1.00 0.00 WT2 H ATOM 29376 H2 TIP3 2523 28.807 96.870 40.632 1.00 0.00 WT2 H ATOM 29377 OH2 TIP3 2525 39.174 14.679 -17.917 1.00 0.00 WT2 O ATOM 29378 H1 TIP3 2525 38.640 15.461 -17.776 1.00 0.00 WT2 H ATOM 29379 H2 TIP3 2525 40.065 15.013 -18.024 1.00 0.00 WT2 H ATOM 29380 OH2 TIP3 2526 28.104 77.736 26.672 1.00 0.00 WT2 O ATOM 29381 H1 TIP3 2526 28.304 77.920 25.753 1.00 0.00 WT2 H ATOM 29382 H2 TIP3 2526 28.445 76.854 26.820 1.00 0.00 WT2 H ATOM 29383 OH2 TIP3 2527 25.922 29.547 45.629 1.00 0.00 WT2 O ATOM 29384 H1 TIP3 2527 25.763 28.909 44.934 1.00 0.00 WT2 H ATOM 29385 H2 TIP3 2527 26.858 29.736 45.572 1.00 0.00 WT2 H ATOM 29386 OH2 TIP3 2528 30.279 50.118 7.807 1.00 0.00 WT2 O ATOM 29387 H1 TIP3 2528 30.982 49.477 7.703 1.00 0.00 WT2 H ATOM 29388 H2 TIP3 2528 30.189 50.224 8.754 1.00 0.00 WT2 H ATOM 29389 OH2 TIP3 2529 39.186 4.728 35.316 1.00 0.00 WT2 O ATOM 29390 H1 TIP3 2529 38.761 4.019 34.832 1.00 0.00 WT2 H ATOM 29391 H2 TIP3 2529 38.902 4.604 36.221 1.00 0.00 WT2 H ATOM 29392 OH2 TIP3 2539 58.369 72.974 -18.909 1.00 0.00 WT2 O ATOM 29393 H1 TIP3 2539 58.751 72.835 -18.043 1.00 0.00 WT2 H ATOM 29394 H2 TIP3 2539 57.643 73.579 -18.757 1.00 0.00 WT2 H ATOM 29395 OH2 TIP3 2540 76.286 68.066 43.110 1.00 0.00 WT2 O ATOM 29396 H1 TIP3 2540 76.682 68.790 43.595 1.00 0.00 WT2 H ATOM 29397 H2 TIP3 2540 76.823 67.983 42.322 1.00 0.00 WT2 H ATOM 29398 OH2 TIP3 2541 48.036 56.896 -17.131 1.00 0.00 WT2 O ATOM 29399 H1 TIP3 2541 48.294 56.085 -16.691 1.00 0.00 WT2 H ATOM 29400 H2 TIP3 2541 47.989 57.545 -16.429 1.00 0.00 WT2 H ATOM 29401 OH2 TIP3 2544 76.725 56.363 53.228 1.00 0.00 WT2 O ATOM 29402 H1 TIP3 2544 76.927 55.642 52.632 1.00 0.00 WT2 H ATOM 29403 H2 TIP3 2544 75.779 56.302 53.367 1.00 0.00 WT2 H ATOM 29404 OH2 TIP3 2545 49.898 81.853 -1.504 1.00 0.00 WT2 O ATOM 29405 H1 TIP3 2545 49.376 81.344 -0.884 1.00 0.00 WT2 H ATOM 29406 H2 TIP3 2545 50.735 81.391 -1.550 1.00 0.00 WT2 H ATOM 29407 OH2 TIP3 2547 87.996 57.516 55.664 1.00 0.00 WT2 O ATOM 29408 H1 TIP3 2547 88.279 56.877 56.317 1.00 0.00 WT2 H ATOM 29409 H2 TIP3 2547 87.063 57.337 55.541 1.00 0.00 WT2 H ATOM 29410 OH2 TIP3 2548 83.479 88.983 64.088 1.00 0.00 WT2 O ATOM 29411 H1 TIP3 2548 82.631 88.664 63.779 1.00 0.00 WT2 H ATOM 29412 H2 TIP3 2548 83.972 88.189 64.297 1.00 0.00 WT2 H ATOM 29413 OH2 TIP3 2562 77.080 33.065 -5.512 1.00 0.00 WT2 O ATOM 29414 H1 TIP3 2562 76.792 32.173 -5.320 1.00 0.00 WT2 H ATOM 29415 H2 TIP3 2562 76.971 33.537 -4.686 1.00 0.00 WT2 H ATOM 29416 OH2 TIP3 2563 40.824 54.607 9.608 1.00 0.00 WT2 O ATOM 29417 H1 TIP3 2563 41.775 54.676 9.519 1.00 0.00 WT2 H ATOM 29418 H2 TIP3 2563 40.667 53.682 9.796 1.00 0.00 WT2 H ATOM 29419 OH2 TIP3 2564 32.318 45.112 -15.467 1.00 0.00 WT2 O ATOM 29420 H1 TIP3 2564 32.750 45.925 -15.731 1.00 0.00 WT2 H ATOM 29421 H2 TIP3 2564 31.402 45.357 -15.339 1.00 0.00 WT2 H ATOM 29422 OH2 TIP3 2565 42.244 37.140 -0.266 1.00 0.00 WT2 O ATOM 29423 H1 TIP3 2565 43.168 37.328 -0.430 1.00 0.00 WT2 H ATOM 29424 H2 TIP3 2565 42.202 36.939 0.669 1.00 0.00 WT2 H ATOM 29425 OH2 TIP3 2566 74.235 92.889 35.355 1.00 0.00 WT2 O ATOM 29426 H1 TIP3 2566 75.158 93.060 35.542 1.00 0.00 WT2 H ATOM 29427 H2 TIP3 2566 74.075 92.016 35.713 1.00 0.00 WT2 H ATOM 29428 OH2 TIP3 2567 53.336 80.833 49.583 1.00 0.00 WT2 O ATOM 29429 H1 TIP3 2567 52.489 80.477 49.313 1.00 0.00 WT2 H ATOM 29430 H2 TIP3 2567 53.980 80.252 49.178 1.00 0.00 WT2 H ATOM 29431 OH2 TIP3 2570 44.009 42.633 31.194 1.00 0.00 WT2 O ATOM 29432 H1 TIP3 2570 44.820 42.128 31.134 1.00 0.00 WT2 H ATOM 29433 H2 TIP3 2570 44.180 43.422 30.679 1.00 0.00 WT2 H ATOM 29434 OH2 TIP3 2573 25.492 28.114 60.879 1.00 0.00 WT2 O ATOM 29435 H1 TIP3 2573 26.174 27.915 61.521 1.00 0.00 WT2 H ATOM 29436 H2 TIP3 2573 25.628 29.037 60.664 1.00 0.00 WT2 H ATOM 29437 OH2 TIP3 2580 33.231 57.870 45.079 1.00 0.00 WT2 O ATOM 29438 H1 TIP3 2580 33.520 58.722 44.751 1.00 0.00 WT2 H ATOM 29439 H2 TIP3 2580 33.851 57.658 45.776 1.00 0.00 WT2 H ATOM 29440 OH2 TIP3 2582 79.231 14.637 52.416 1.00 0.00 WT2 O ATOM 29441 H1 TIP3 2582 78.382 14.280 52.154 1.00 0.00 WT2 H ATOM 29442 H2 TIP3 2582 79.858 14.222 51.824 1.00 0.00 WT2 H ATOM 29443 OH2 TIP3 2584 30.335 93.228 52.023 1.00 0.00 WT2 O ATOM 29444 H1 TIP3 2584 30.759 94.075 52.157 1.00 0.00 WT2 H ATOM 29445 H2 TIP3 2584 29.976 93.277 51.137 1.00 0.00 WT2 H ATOM 29446 OH2 TIP3 2588 73.064 63.230 42.810 1.00 0.00 WT2 O ATOM 29447 H1 TIP3 2588 73.039 63.730 41.994 1.00 0.00 WT2 H ATOM 29448 H2 TIP3 2588 72.817 62.341 42.554 1.00 0.00 WT2 H ATOM 29449 OH2 TIP3 2589 82.874 54.599 -16.380 1.00 0.00 WT2 O ATOM 29450 H1 TIP3 2589 82.747 55.032 -15.536 1.00 0.00 WT2 H ATOM 29451 H2 TIP3 2589 81.994 54.526 -16.748 1.00 0.00 WT2 H ATOM 29452 OH2 TIP3 2606 45.708 80.696 25.919 1.00 0.00 WT2 O ATOM 29453 H1 TIP3 2606 45.439 81.166 25.130 1.00 0.00 WT2 H ATOM 29454 H2 TIP3 2606 45.604 79.771 25.694 1.00 0.00 WT2 H ATOM 29455 OH2 TIP3 2607 52.300 83.276 10.844 1.00 0.00 WT2 O ATOM 29456 H1 TIP3 2607 52.801 83.105 11.642 1.00 0.00 WT2 H ATOM 29457 H2 TIP3 2607 51.410 83.447 11.152 1.00 0.00 WT2 H ATOM 29458 OH2 TIP3 2608 55.222 76.967 5.986 1.00 0.00 WT2 O ATOM 29459 H1 TIP3 2608 55.886 77.355 6.556 1.00 0.00 WT2 H ATOM 29460 H2 TIP3 2608 55.600 76.132 5.712 1.00 0.00 WT2 H ATOM 29461 OH2 TIP3 2610 86.795 8.326 60.260 1.00 0.00 WT2 O ATOM 29462 H1 TIP3 2610 87.575 8.756 60.610 1.00 0.00 WT2 H ATOM 29463 H2 TIP3 2610 86.960 8.256 59.320 1.00 0.00 WT2 H ATOM 29464 OH2 TIP3 2628 76.268 91.497 -12.302 1.00 0.00 WT2 O ATOM 29465 H1 TIP3 2628 76.797 91.986 -11.672 1.00 0.00 WT2 H ATOM 29466 H2 TIP3 2628 76.066 92.132 -12.989 1.00 0.00 WT2 H ATOM 29467 OH2 TIP3 2631 28.799 29.916 33.259 1.00 0.00 WT2 O ATOM 29468 H1 TIP3 2631 28.019 29.494 32.899 1.00 0.00 WT2 H ATOM 29469 H2 TIP3 2631 29.126 29.298 33.913 1.00 0.00 WT2 H ATOM 29470 OH2 TIP3 2632 82.565 22.184 5.457 1.00 0.00 WT2 O ATOM 29471 H1 TIP3 2632 83.498 21.972 5.444 1.00 0.00 WT2 H ATOM 29472 H2 TIP3 2632 82.528 23.119 5.254 1.00 0.00 WT2 H ATOM 29473 OH2 TIP3 2634 24.300 34.341 51.615 1.00 0.00 WT2 O ATOM 29474 H1 TIP3 2634 23.949 35.167 51.282 1.00 0.00 WT2 H ATOM 29475 H2 TIP3 2634 24.777 34.586 52.407 1.00 0.00 WT2 H ATOM 29476 OH2 TIP3 2635 39.249 14.468 14.173 1.00 0.00 WT2 O ATOM 29477 H1 TIP3 2635 40.137 14.243 14.449 1.00 0.00 WT2 H ATOM 29478 H2 TIP3 2635 39.105 13.951 13.381 1.00 0.00 WT2 H ATOM 29479 OH2 TIP3 2643 46.973 96.490 -13.155 1.00 0.00 WT2 O ATOM 29480 H1 TIP3 2643 46.652 96.551 -12.255 1.00 0.00 WT2 H ATOM 29481 H2 TIP3 2643 47.307 95.596 -13.231 1.00 0.00 WT2 H ATOM 29482 OH2 TIP3 2648 36.024 62.779 32.957 1.00 0.00 WT2 O ATOM 29483 H1 TIP3 2648 36.797 63.320 33.115 1.00 0.00 WT2 H ATOM 29484 H2 TIP3 2648 36.374 61.906 32.778 1.00 0.00 WT2 H ATOM 29485 OH2 TIP3 2649 44.228 6.919 -1.985 1.00 0.00 WT2 O ATOM 29486 H1 TIP3 2649 45.162 6.712 -1.993 1.00 0.00 WT2 H ATOM 29487 H2 TIP3 2649 43.902 6.591 -2.823 1.00 0.00 WT2 H ATOM 29488 OH2 TIP3 2650 68.738 7.895 -11.185 1.00 0.00 WT2 O ATOM 29489 H1 TIP3 2650 69.313 8.577 -10.838 1.00 0.00 WT2 H ATOM 29490 H2 TIP3 2650 68.853 7.945 -12.134 1.00 0.00 WT2 H ATOM 29491 OH2 TIP3 2651 43.341 95.799 35.553 1.00 0.00 WT2 O ATOM 29492 H1 TIP3 2651 43.630 96.517 34.989 1.00 0.00 WT2 H ATOM 29493 H2 TIP3 2651 44.149 95.451 35.930 1.00 0.00 WT2 H ATOM 29494 OH2 TIP3 2653 85.368 60.610 55.087 1.00 0.00 WT2 O ATOM 29495 H1 TIP3 2653 85.618 60.040 55.814 1.00 0.00 WT2 H ATOM 29496 H2 TIP3 2653 84.843 60.052 54.514 1.00 0.00 WT2 H ATOM 29497 OH2 TIP3 2654 50.968 27.210 60.542 1.00 0.00 WT2 O ATOM 29498 H1 TIP3 2654 51.560 26.696 59.993 1.00 0.00 WT2 H ATOM 29499 H2 TIP3 2654 50.189 26.660 60.634 1.00 0.00 WT2 H ATOM 29500 OH2 TIP3 2655 68.727 42.022 14.124 1.00 0.00 WT2 O ATOM 29501 H1 TIP3 2655 67.946 41.811 13.614 1.00 0.00 WT2 H ATOM 29502 H2 TIP3 2655 68.389 42.417 14.928 1.00 0.00 WT2 H ATOM 29503 OH2 TIP3 2667 90.351 94.538 -6.150 1.00 0.00 WT2 O ATOM 29504 H1 TIP3 2667 90.684 94.488 -5.255 1.00 0.00 WT2 H ATOM 29505 H2 TIP3 2667 89.419 94.332 -6.071 1.00 0.00 WT2 H ATOM 29506 OH2 TIP3 2668 29.013 53.654 11.649 1.00 0.00 WT2 O ATOM 29507 H1 TIP3 2668 29.902 53.999 11.565 1.00 0.00 WT2 H ATOM 29508 H2 TIP3 2668 28.503 54.385 11.996 1.00 0.00 WT2 H ATOM 29509 OH2 TIP3 2669 58.852 32.114 -8.399 1.00 0.00 WT2 O ATOM 29510 H1 TIP3 2669 58.233 32.496 -9.022 1.00 0.00 WT2 H ATOM 29511 H2 TIP3 2669 58.760 32.649 -7.611 1.00 0.00 WT2 H ATOM 29512 OH2 TIP3 2670 89.741 84.782 66.700 1.00 0.00 WT2 O ATOM 29513 H1 TIP3 2670 90.217 83.963 66.560 1.00 0.00 WT2 H ATOM 29514 H2 TIP3 2670 89.742 84.900 67.650 1.00 0.00 WT2 H ATOM 29515 OH2 TIP3 2672 27.822 78.551 -7.839 1.00 0.00 WT2 O ATOM 29516 H1 TIP3 2672 27.579 78.753 -6.935 1.00 0.00 WT2 H ATOM 29517 H2 TIP3 2672 28.397 79.270 -8.099 1.00 0.00 WT2 H ATOM 29518 OH2 TIP3 2673 48.653 80.942 54.373 1.00 0.00 WT2 O ATOM 29519 H1 TIP3 2673 48.702 80.759 55.311 1.00 0.00 WT2 H ATOM 29520 H2 TIP3 2673 49.253 81.676 54.240 1.00 0.00 WT2 H ATOM 29521 OH2 TIP3 2674 36.913 63.953 44.720 1.00 0.00 WT2 O ATOM 29522 H1 TIP3 2674 37.550 64.626 44.482 1.00 0.00 WT2 H ATOM 29523 H2 TIP3 2674 36.191 64.078 44.104 1.00 0.00 WT2 H ATOM 29524 OH2 TIP3 2676 89.770 91.762 36.758 1.00 0.00 WT2 O ATOM 29525 H1 TIP3 2676 90.356 91.114 36.368 1.00 0.00 WT2 H ATOM 29526 H2 TIP3 2676 88.948 91.289 36.895 1.00 0.00 WT2 H ATOM 29527 OH2 TIP3 2689 52.190 3.368 1.335 1.00 0.00 WT2 O ATOM 29528 H1 TIP3 2689 51.520 4.013 1.563 1.00 0.00 WT2 H ATOM 29529 H2 TIP3 2689 52.966 3.889 1.130 1.00 0.00 WT2 H ATOM 29530 OH2 TIP3 2690 66.053 73.076 -1.899 1.00 0.00 WT2 O ATOM 29531 H1 TIP3 2690 65.512 72.293 -1.800 1.00 0.00 WT2 H ATOM 29532 H2 TIP3 2690 65.888 73.585 -1.105 1.00 0.00 WT2 H ATOM 29533 OH2 TIP3 2691 37.257 83.601 12.458 1.00 0.00 WT2 O ATOM 29534 H1 TIP3 2691 37.830 83.870 11.740 1.00 0.00 WT2 H ATOM 29535 H2 TIP3 2691 37.641 82.785 12.778 1.00 0.00 WT2 H ATOM 29536 OH2 TIP3 2692 62.677 81.294 36.997 1.00 0.00 WT2 O ATOM 29537 H1 TIP3 2692 63.169 81.048 36.214 1.00 0.00 WT2 H ATOM 29538 H2 TIP3 2692 63.293 81.811 37.516 1.00 0.00 WT2 H ATOM 29539 OH2 TIP3 2694 42.799 80.185 51.358 1.00 0.00 WT2 O ATOM 29540 H1 TIP3 2694 42.656 79.241 51.412 1.00 0.00 WT2 H ATOM 29541 H2 TIP3 2694 42.170 80.486 50.702 1.00 0.00 WT2 H ATOM 29542 OH2 TIP3 2695 47.520 24.169 61.174 1.00 0.00 WT2 O ATOM 29543 H1 TIP3 2695 47.283 25.057 61.443 1.00 0.00 WT2 H ATOM 29544 H2 TIP3 2695 48.137 24.293 60.453 1.00 0.00 WT2 H ATOM 29545 OH2 TIP3 2697 59.686 89.126 -11.310 1.00 0.00 WT2 O ATOM 29546 H1 TIP3 2697 59.716 88.740 -12.186 1.00 0.00 WT2 H ATOM 29547 H2 TIP3 2697 59.979 88.425 -10.728 1.00 0.00 WT2 H ATOM 29548 OH2 TIP3 2701 75.934 28.819 -3.777 1.00 0.00 WT2 O ATOM 29549 H1 TIP3 2701 76.821 28.466 -3.853 1.00 0.00 WT2 H ATOM 29550 H2 TIP3 2701 75.834 29.019 -2.847 1.00 0.00 WT2 H ATOM 29551 OH2 TIP3 2709 56.734 3.504 29.433 1.00 0.00 WT2 O ATOM 29552 H1 TIP3 2709 55.923 3.511 29.941 1.00 0.00 WT2 H ATOM 29553 H2 TIP3 2709 57.331 4.067 29.927 1.00 0.00 WT2 H ATOM 29554 OH2 TIP3 2710 38.100 40.915 29.596 1.00 0.00 WT2 O ATOM 29555 H1 TIP3 2710 38.307 41.285 28.737 1.00 0.00 WT2 H ATOM 29556 H2 TIP3 2710 38.677 40.156 29.676 1.00 0.00 WT2 H ATOM 29557 OH2 TIP3 2712 27.661 46.311 34.379 1.00 0.00 WT2 O ATOM 29558 H1 TIP3 2712 26.936 46.015 34.930 1.00 0.00 WT2 H ATOM 29559 H2 TIP3 2712 27.258 46.917 33.757 1.00 0.00 WT2 H ATOM 29560 OH2 TIP3 2713 71.104 23.331 47.421 1.00 0.00 WT2 O ATOM 29561 H1 TIP3 2713 70.608 22.607 47.802 1.00 0.00 WT2 H ATOM 29562 H2 TIP3 2713 71.783 23.524 48.067 1.00 0.00 WT2 H ATOM 29563 OH2 TIP3 2714 67.026 84.723 -19.276 1.00 0.00 WT2 O ATOM 29564 H1 TIP3 2714 66.843 84.663 -20.214 1.00 0.00 WT2 H ATOM 29565 H2 TIP3 2714 67.945 84.468 -19.195 1.00 0.00 WT2 H ATOM 29566 OH2 TIP3 2715 44.081 39.062 2.400 1.00 0.00 WT2 O ATOM 29567 H1 TIP3 2715 44.870 39.046 2.941 1.00 0.00 WT2 H ATOM 29568 H2 TIP3 2715 43.377 39.287 3.008 1.00 0.00 WT2 H ATOM 29569 OH2 TIP3 2717 78.722 13.677 -5.220 1.00 0.00 WT2 O ATOM 29570 H1 TIP3 2717 79.495 13.692 -5.784 1.00 0.00 WT2 H ATOM 29571 H2 TIP3 2717 78.043 14.115 -5.732 1.00 0.00 WT2 H ATOM 29572 OH2 TIP3 2732 67.586 90.759 49.682 1.00 0.00 WT2 O ATOM 29573 H1 TIP3 2732 67.556 90.117 50.391 1.00 0.00 WT2 H ATOM 29574 H2 TIP3 2732 68.232 91.404 49.969 1.00 0.00 WT2 H ATOM 29575 OH2 TIP3 2734 23.041 83.386 64.591 1.00 0.00 WT2 O ATOM 29576 H1 TIP3 2734 23.327 84.296 64.510 1.00 0.00 WT2 H ATOM 29577 H2 TIP3 2734 22.687 83.168 63.728 1.00 0.00 WT2 H ATOM 29578 OH2 TIP3 2735 51.383 34.320 -13.784 1.00 0.00 WT2 O ATOM 29579 H1 TIP3 2735 51.819 35.156 -13.622 1.00 0.00 WT2 H ATOM 29580 H2 TIP3 2735 50.792 34.208 -13.039 1.00 0.00 WT2 H ATOM 29581 OH2 TIP3 2736 86.608 27.782 41.219 1.00 0.00 WT2 O ATOM 29582 H1 TIP3 2736 87.133 27.421 41.933 1.00 0.00 WT2 H ATOM 29583 H2 TIP3 2736 86.152 28.528 41.609 1.00 0.00 WT2 H ATOM 29584 OH2 TIP3 2753 39.465 61.747 -11.815 1.00 0.00 WT2 O ATOM 29585 H1 TIP3 2753 39.170 60.895 -12.138 1.00 0.00 WT2 H ATOM 29586 H2 TIP3 2753 39.071 61.824 -10.946 1.00 0.00 WT2 H ATOM 29587 OH2 TIP3 2754 31.914 37.515 24.452 1.00 0.00 WT2 O ATOM 29588 H1 TIP3 2754 32.365 37.581 23.611 1.00 0.00 WT2 H ATOM 29589 H2 TIP3 2754 32.040 36.605 24.721 1.00 0.00 WT2 H ATOM 29590 OH2 TIP3 2755 78.316 22.405 33.533 1.00 0.00 WT2 O ATOM 29591 H1 TIP3 2755 78.306 21.471 33.742 1.00 0.00 WT2 H ATOM 29592 H2 TIP3 2755 79.220 22.584 33.273 1.00 0.00 WT2 H ATOM 29593 OH2 TIP3 2757 46.779 94.638 5.646 1.00 0.00 WT2 O ATOM 29594 H1 TIP3 2757 46.051 95.096 5.225 1.00 0.00 WT2 H ATOM 29595 H2 TIP3 2757 47.411 95.327 5.850 1.00 0.00 WT2 H ATOM 29596 OH2 TIP3 2758 85.981 80.858 11.055 1.00 0.00 WT2 O ATOM 29597 H1 TIP3 2758 85.331 81.389 11.515 1.00 0.00 WT2 H ATOM 29598 H2 TIP3 2758 86.211 81.375 10.284 1.00 0.00 WT2 H ATOM 29599 OH2 TIP3 2771 39.222 58.133 -11.691 1.00 0.00 WT2 O ATOM 29600 H1 TIP3 2771 39.340 58.021 -10.747 1.00 0.00 WT2 H ATOM 29601 H2 TIP3 2771 39.972 57.684 -12.081 1.00 0.00 WT2 H ATOM 29602 OH2 TIP3 2773 86.527 42.344 31.238 1.00 0.00 WT2 O ATOM 29603 H1 TIP3 2773 86.321 41.784 31.987 1.00 0.00 WT2 H ATOM 29604 H2 TIP3 2773 86.832 41.738 30.562 1.00 0.00 WT2 H ATOM 29605 OH2 TIP3 2774 24.580 25.660 6.924 1.00 0.00 WT2 O ATOM 29606 H1 TIP3 2774 24.762 26.329 7.584 1.00 0.00 WT2 H ATOM 29607 H2 TIP3 2774 25.012 24.873 7.255 1.00 0.00 WT2 H ATOM 29608 OH2 TIP3 2775 86.776 84.321 16.526 1.00 0.00 WT2 O ATOM 29609 H1 TIP3 2775 87.614 84.131 16.105 1.00 0.00 WT2 H ATOM 29610 H2 TIP3 2775 86.635 83.586 17.123 1.00 0.00 WT2 H ATOM 29611 OH2 TIP3 2776 67.335 10.408 16.692 1.00 0.00 WT2 O ATOM 29612 H1 TIP3 2776 67.820 10.615 17.491 1.00 0.00 WT2 H ATOM 29613 H2 TIP3 2776 66.935 11.238 16.432 1.00 0.00 WT2 H ATOM 29614 OH2 TIP3 2777 36.264 8.646 -15.199 1.00 0.00 WT2 O ATOM 29615 H1 TIP3 2777 36.566 9.477 -15.565 1.00 0.00 WT2 H ATOM 29616 H2 TIP3 2777 37.060 8.224 -14.875 1.00 0.00 WT2 H ATOM 29617 OH2 TIP3 2778 81.067 46.225 -18.085 1.00 0.00 WT2 O ATOM 29618 H1 TIP3 2778 80.233 46.102 -17.632 1.00 0.00 WT2 H ATOM 29619 H2 TIP3 2778 80.894 45.947 -18.984 1.00 0.00 WT2 H ATOM 29620 OH2 TIP3 2781 76.182 4.475 46.400 1.00 0.00 WT2 O ATOM 29621 H1 TIP3 2781 77.012 4.257 46.823 1.00 0.00 WT2 H ATOM 29622 H2 TIP3 2781 75.837 3.633 46.101 1.00 0.00 WT2 H ATOM 29623 OH2 TIP3 2793 60.452 67.504 64.888 1.00 0.00 WT2 O ATOM 29624 H1 TIP3 2793 60.708 68.418 65.014 1.00 0.00 WT2 H ATOM 29625 H2 TIP3 2793 59.906 67.301 65.648 1.00 0.00 WT2 H ATOM 29626 OH2 TIP3 2794 40.809 43.223 3.451 1.00 0.00 WT2 O ATOM 29627 H1 TIP3 2794 40.449 42.510 3.979 1.00 0.00 WT2 H ATOM 29628 H2 TIP3 2794 40.958 43.933 4.076 1.00 0.00 WT2 H ATOM 29629 OH2 TIP3 2795 23.269 11.206 49.868 1.00 0.00 WT2 O ATOM 29630 H1 TIP3 2795 22.340 11.408 49.753 1.00 0.00 WT2 H ATOM 29631 H2 TIP3 2795 23.721 11.807 49.275 1.00 0.00 WT2 H ATOM 29632 OH2 TIP3 2796 65.587 17.173 45.114 1.00 0.00 WT2 O ATOM 29633 H1 TIP3 2796 65.649 17.538 44.232 1.00 0.00 WT2 H ATOM 29634 H2 TIP3 2796 65.315 17.911 45.660 1.00 0.00 WT2 H ATOM 29635 OH2 TIP3 2797 27.663 36.797 6.848 1.00 0.00 WT2 O ATOM 29636 H1 TIP3 2797 28.571 36.510 6.758 1.00 0.00 WT2 H ATOM 29637 H2 TIP3 2797 27.698 37.509 7.487 1.00 0.00 WT2 H ATOM 29638 OH2 TIP3 2798 26.394 78.258 44.027 1.00 0.00 WT2 O ATOM 29639 H1 TIP3 2798 26.952 78.569 43.314 1.00 0.00 WT2 H ATOM 29640 H2 TIP3 2798 25.571 78.733 43.912 1.00 0.00 WT2 H ATOM 29641 OH2 TIP3 2802 59.883 16.813 24.138 1.00 0.00 WT2 O ATOM 29642 H1 TIP3 2802 60.406 17.495 24.560 1.00 0.00 WT2 H ATOM 29643 H2 TIP3 2802 60.464 16.439 23.476 1.00 0.00 WT2 H ATOM 29644 OH2 TIP3 2814 67.861 4.705 -6.084 1.00 0.00 WT2 O ATOM 29645 H1 TIP3 2814 67.240 5.309 -5.676 1.00 0.00 WT2 H ATOM 29646 H2 TIP3 2814 67.628 4.713 -7.012 1.00 0.00 WT2 H ATOM 29647 OH2 TIP3 2815 55.429 74.980 59.989 1.00 0.00 WT2 O ATOM 29648 H1 TIP3 2815 54.607 75.308 59.623 1.00 0.00 WT2 H ATOM 29649 H2 TIP3 2815 55.401 75.237 60.911 1.00 0.00 WT2 H ATOM 29650 OH2 TIP3 2817 29.302 92.018 1.156 1.00 0.00 WT2 O ATOM 29651 H1 TIP3 2817 28.376 91.849 0.981 1.00 0.00 WT2 H ATOM 29652 H2 TIP3 2817 29.728 91.920 0.304 1.00 0.00 WT2 H ATOM 29653 OH2 TIP3 2818 35.674 89.079 35.764 1.00 0.00 WT2 O ATOM 29654 H1 TIP3 2818 36.134 89.104 34.925 1.00 0.00 WT2 H ATOM 29655 H2 TIP3 2818 36.359 89.224 36.417 1.00 0.00 WT2 H ATOM 29656 OH2 TIP3 2819 60.434 47.876 37.388 1.00 0.00 WT2 O ATOM 29657 H1 TIP3 2819 59.634 48.283 37.057 1.00 0.00 WT2 H ATOM 29658 H2 TIP3 2819 60.376 47.970 38.339 1.00 0.00 WT2 H ATOM 29659 OH2 TIP3 2820 26.525 47.596 -1.353 1.00 0.00 WT2 O ATOM 29660 H1 TIP3 2820 27.241 48.165 -1.635 1.00 0.00 WT2 H ATOM 29661 H2 TIP3 2820 26.411 47.795 -0.424 1.00 0.00 WT2 H ATOM 29662 OH2 TIP3 2821 52.431 12.874 -1.399 1.00 0.00 WT2 O ATOM 29663 H1 TIP3 2821 53.200 12.686 -0.861 1.00 0.00 WT2 H ATOM 29664 H2 TIP3 2821 51.772 13.181 -0.776 1.00 0.00 WT2 H ATOM 29665 OH2 TIP3 2822 26.698 51.303 22.016 1.00 0.00 WT2 O ATOM 29666 H1 TIP3 2822 27.494 51.818 22.147 1.00 0.00 WT2 H ATOM 29667 H2 TIP3 2822 27.011 50.445 21.730 1.00 0.00 WT2 H ATOM 29668 OH2 TIP3 2823 64.722 64.009 52.892 1.00 0.00 WT2 O ATOM 29669 H1 TIP3 2823 63.772 64.096 52.961 1.00 0.00 WT2 H ATOM 29670 H2 TIP3 2823 65.049 64.244 53.760 1.00 0.00 WT2 H ATOM 29671 OH2 TIP3 2832 22.979 20.359 -17.376 1.00 0.00 WT2 O ATOM 29672 H1 TIP3 2832 23.249 21.061 -17.968 1.00 0.00 WT2 H ATOM 29673 H2 TIP3 2832 22.120 20.088 -17.702 1.00 0.00 WT2 H ATOM 29674 OH2 TIP3 2838 21.464 57.240 47.764 1.00 0.00 WT2 O ATOM 29675 H1 TIP3 2838 22.101 57.086 48.462 1.00 0.00 WT2 H ATOM 29676 H2 TIP3 2838 21.980 57.604 47.045 1.00 0.00 WT2 H ATOM 29677 OH2 TIP3 2839 77.688 89.419 -9.260 1.00 0.00 WT2 O ATOM 29678 H1 TIP3 2839 77.785 90.292 -9.639 1.00 0.00 WT2 H ATOM 29679 H2 TIP3 2839 78.458 88.938 -9.563 1.00 0.00 WT2 H ATOM 29680 OH2 TIP3 2840 24.638 10.554 3.163 1.00 0.00 WT2 O ATOM 29681 H1 TIP3 2840 25.553 10.832 3.108 1.00 0.00 WT2 H ATOM 29682 H2 TIP3 2840 24.147 11.367 3.281 1.00 0.00 WT2 H ATOM 29683 OH2 TIP3 2841 57.450 23.660 -11.732 1.00 0.00 WT2 O ATOM 29684 H1 TIP3 2841 57.440 23.005 -12.429 1.00 0.00 WT2 H ATOM 29685 H2 TIP3 2841 56.709 23.426 -11.173 1.00 0.00 WT2 H ATOM 29686 OH2 TIP3 2842 41.006 85.343 62.895 1.00 0.00 WT2 O ATOM 29687 H1 TIP3 2842 41.582 85.487 62.144 1.00 0.00 WT2 H ATOM 29688 H2 TIP3 2842 40.211 85.833 62.685 1.00 0.00 WT2 H ATOM 29689 OH2 TIP3 2843 41.741 24.344 40.153 1.00 0.00 WT2 O ATOM 29690 H1 TIP3 2843 42.368 23.890 40.716 1.00 0.00 WT2 H ATOM 29691 H2 TIP3 2843 42.149 24.340 39.287 1.00 0.00 WT2 H ATOM 29692 OH2 TIP3 2857 63.627 90.824 58.693 1.00 0.00 WT2 O ATOM 29693 H1 TIP3 2857 63.350 91.712 58.469 1.00 0.00 WT2 H ATOM 29694 H2 TIP3 2857 63.390 90.299 57.929 1.00 0.00 WT2 H ATOM 29695 OH2 TIP3 2859 26.187 83.110 58.841 1.00 0.00 WT2 O ATOM 29696 H1 TIP3 2859 26.843 83.324 58.177 1.00 0.00 WT2 H ATOM 29697 H2 TIP3 2859 26.385 83.696 59.572 1.00 0.00 WT2 H ATOM 29698 OH2 TIP3 2862 54.577 18.966 36.687 1.00 0.00 WT2 O ATOM 29699 H1 TIP3 2862 54.620 19.730 36.112 1.00 0.00 WT2 H ATOM 29700 H2 TIP3 2862 55.074 18.290 36.228 1.00 0.00 WT2 H ATOM 29701 OH2 TIP3 2863 71.005 25.675 63.663 1.00 0.00 WT2 O ATOM 29702 H1 TIP3 2863 70.938 26.342 62.979 1.00 0.00 WT2 H ATOM 29703 H2 TIP3 2863 70.097 25.454 63.872 1.00 0.00 WT2 H ATOM 29704 OH2 TIP3 2877 49.942 9.577 61.822 1.00 0.00 WT2 O ATOM 29705 H1 TIP3 2877 50.114 8.825 61.255 1.00 0.00 WT2 H ATOM 29706 H2 TIP3 2877 49.182 9.317 62.342 1.00 0.00 WT2 H ATOM 29707 OH2 TIP3 2878 89.688 91.622 52.178 1.00 0.00 WT2 O ATOM 29708 H1 TIP3 2878 89.646 92.319 52.833 1.00 0.00 WT2 H ATOM 29709 H2 TIP3 2878 89.362 90.846 52.633 1.00 0.00 WT2 H ATOM 29710 OH2 TIP3 2880 61.290 26.728 0.870 1.00 0.00 WT2 O ATOM 29711 H1 TIP3 2880 61.582 27.472 1.396 1.00 0.00 WT2 H ATOM 29712 H2 TIP3 2880 60.707 27.112 0.214 1.00 0.00 WT2 H ATOM 29713 OH2 TIP3 2882 29.391 67.347 50.726 1.00 0.00 WT2 O ATOM 29714 H1 TIP3 2882 29.209 68.222 50.384 1.00 0.00 WT2 H ATOM 29715 H2 TIP3 2882 29.888 66.916 50.031 1.00 0.00 WT2 H ATOM 29716 OH2 TIP3 2883 31.323 48.125 42.004 1.00 0.00 WT2 O ATOM 29717 H1 TIP3 2883 31.611 48.177 41.093 1.00 0.00 WT2 H ATOM 29718 H2 TIP3 2883 32.069 47.749 42.471 1.00 0.00 WT2 H ATOM 29719 OH2 TIP3 2884 24.466 64.485 48.081 1.00 0.00 WT2 O ATOM 29720 H1 TIP3 2884 24.820 65.030 48.784 1.00 0.00 WT2 H ATOM 29721 H2 TIP3 2884 24.097 63.724 48.530 1.00 0.00 WT2 H ATOM 29722 OH2 TIP3 2899 85.675 0.922 -14.382 1.00 0.00 WT2 O ATOM 29723 H1 TIP3 2899 86.192 1.519 -14.923 1.00 0.00 WT2 H ATOM 29724 H2 TIP3 2899 85.036 0.543 -14.986 1.00 0.00 WT2 H ATOM 29725 OH2 TIP3 2900 40.153 27.258 49.324 1.00 0.00 WT2 O ATOM 29726 H1 TIP3 2900 40.511 27.943 49.887 1.00 0.00 WT2 H ATOM 29727 H2 TIP3 2900 40.627 27.355 48.498 1.00 0.00 WT2 H ATOM 29728 OH2 TIP3 2901 43.676 52.441 -5.122 1.00 0.00 WT2 O ATOM 29729 H1 TIP3 2901 43.805 53.160 -5.741 1.00 0.00 WT2 H ATOM 29730 H2 TIP3 2901 43.417 52.871 -4.307 1.00 0.00 WT2 H ATOM 29731 OH2 TIP3 2902 78.926 29.109 30.205 1.00 0.00 WT2 O ATOM 29732 H1 TIP3 2902 78.728 30.045 30.238 1.00 0.00 WT2 H ATOM 29733 H2 TIP3 2902 78.611 28.828 29.346 1.00 0.00 WT2 H ATOM 29734 OH2 TIP3 2903 65.151 23.311 6.184 1.00 0.00 WT2 O ATOM 29735 H1 TIP3 2903 64.826 23.623 5.340 1.00 0.00 WT2 H ATOM 29736 H2 TIP3 2903 64.363 23.189 6.715 1.00 0.00 WT2 H ATOM 29737 OH2 TIP3 2904 56.700 11.671 -17.849 1.00 0.00 WT2 O ATOM 29738 H1 TIP3 2904 56.888 12.483 -17.379 1.00 0.00 WT2 H ATOM 29739 H2 TIP3 2904 55.917 11.867 -18.363 1.00 0.00 WT2 H ATOM 29740 OH2 TIP3 2905 79.562 61.496 18.125 1.00 0.00 WT2 O ATOM 29741 H1 TIP3 2905 78.865 62.137 17.983 1.00 0.00 WT2 H ATOM 29742 H2 TIP3 2905 79.511 60.914 17.367 1.00 0.00 WT2 H ATOM 29743 OH2 TIP3 2908 55.918 7.427 -8.816 1.00 0.00 WT2 O ATOM 29744 H1 TIP3 2908 55.299 6.703 -8.918 1.00 0.00 WT2 H ATOM 29745 H2 TIP3 2908 55.418 8.206 -9.059 1.00 0.00 WT2 H ATOM 29746 OH2 TIP3 2918 30.447 12.765 41.635 1.00 0.00 WT2 O ATOM 29747 H1 TIP3 2918 30.876 12.738 42.490 1.00 0.00 WT2 H ATOM 29748 H2 TIP3 2918 29.811 13.476 41.708 1.00 0.00 WT2 H ATOM 29749 OH2 TIP3 2919 35.750 28.002 15.918 1.00 0.00 WT2 O ATOM 29750 H1 TIP3 2919 35.466 27.097 16.049 1.00 0.00 WT2 H ATOM 29751 H2 TIP3 2919 36.457 28.126 16.551 1.00 0.00 WT2 H ATOM 29752 OH2 TIP3 2920 63.591 57.589 54.302 1.00 0.00 WT2 O ATOM 29753 H1 TIP3 2920 63.719 58.536 54.356 1.00 0.00 WT2 H ATOM 29754 H2 TIP3 2920 63.150 57.454 53.463 1.00 0.00 WT2 H ATOM 29755 OH2 TIP3 2922 22.157 33.310 30.331 1.00 0.00 WT2 O ATOM 29756 H1 TIP3 2922 23.082 33.543 30.418 1.00 0.00 WT2 H ATOM 29757 H2 TIP3 2922 22.118 32.776 29.538 1.00 0.00 WT2 H ATOM 29758 OH2 TIP3 2923 32.368 68.778 -7.264 1.00 0.00 WT2 O ATOM 29759 H1 TIP3 2923 32.720 69.446 -7.852 1.00 0.00 WT2 H ATOM 29760 H2 TIP3 2923 32.909 68.006 -7.425 1.00 0.00 WT2 H ATOM 29761 OH2 TIP3 2925 61.104 15.181 53.078 1.00 0.00 WT2 O ATOM 29762 H1 TIP3 2925 60.508 14.436 53.159 1.00 0.00 WT2 H ATOM 29763 H2 TIP3 2925 61.290 15.439 53.980 1.00 0.00 WT2 H ATOM 29764 OH2 TIP3 2927 37.564 15.013 -1.486 1.00 0.00 WT2 O ATOM 29765 H1 TIP3 2927 37.404 15.108 -0.547 1.00 0.00 WT2 H ATOM 29766 H2 TIP3 2927 38.435 15.387 -1.620 1.00 0.00 WT2 H ATOM 29767 OH2 TIP3 2938 48.950 21.673 61.911 1.00 0.00 WT2 O ATOM 29768 H1 TIP3 2938 48.865 22.625 61.859 1.00 0.00 WT2 H ATOM 29769 H2 TIP3 2938 48.953 21.382 60.999 1.00 0.00 WT2 H ATOM 29770 OH2 TIP3 2941 50.494 12.236 66.212 1.00 0.00 WT2 O ATOM 29771 H1 TIP3 2941 51.366 11.870 66.358 1.00 0.00 WT2 H ATOM 29772 H2 TIP3 2941 50.586 13.166 66.419 1.00 0.00 WT2 H ATOM 29773 OH2 TIP3 2942 32.611 25.243 -8.142 1.00 0.00 WT2 O ATOM 29774 H1 TIP3 2942 31.824 25.780 -8.050 1.00 0.00 WT2 H ATOM 29775 H2 TIP3 2942 33.053 25.317 -7.296 1.00 0.00 WT2 H ATOM 29776 OH2 TIP3 2943 86.193 33.085 3.418 1.00 0.00 WT2 O ATOM 29777 H1 TIP3 2943 86.854 32.496 3.054 1.00 0.00 WT2 H ATOM 29778 H2 TIP3 2943 86.640 33.534 4.135 1.00 0.00 WT2 H ATOM 29779 OH2 TIP3 2944 68.277 23.787 58.017 1.00 0.00 WT2 O ATOM 29780 H1 TIP3 2944 68.652 24.196 58.797 1.00 0.00 WT2 H ATOM 29781 H2 TIP3 2944 67.594 23.207 58.355 1.00 0.00 WT2 H ATOM 29782 OH2 TIP3 2945 29.246 47.572 47.470 1.00 0.00 WT2 O ATOM 29783 H1 TIP3 2945 29.021 48.474 47.700 1.00 0.00 WT2 H ATOM 29784 H2 TIP3 2945 28.593 47.321 46.817 1.00 0.00 WT2 H ATOM 29785 OH2 TIP3 2946 77.594 14.166 3.763 1.00 0.00 WT2 O ATOM 29786 H1 TIP3 2946 77.336 14.980 3.329 1.00 0.00 WT2 H ATOM 29787 H2 TIP3 2946 78.352 14.407 4.294 1.00 0.00 WT2 H ATOM 29788 OH2 TIP3 2960 35.272 67.719 42.029 1.00 0.00 WT2 O ATOM 29789 H1 TIP3 2960 35.173 68.573 41.608 1.00 0.00 WT2 H ATOM 29790 H2 TIP3 2960 36.028 67.323 41.596 1.00 0.00 WT2 H ATOM 29791 OH2 TIP3 2961 56.703 23.266 -7.445 1.00 0.00 WT2 O ATOM 29792 H1 TIP3 2961 56.009 23.903 -7.276 1.00 0.00 WT2 H ATOM 29793 H2 TIP3 2961 56.791 22.785 -6.622 1.00 0.00 WT2 H ATOM 29794 OH2 TIP3 2963 45.386 22.252 61.396 1.00 0.00 WT2 O ATOM 29795 H1 TIP3 2963 46.169 22.657 61.023 1.00 0.00 WT2 H ATOM 29796 H2 TIP3 2963 44.955 22.959 61.875 1.00 0.00 WT2 H ATOM 29797 OH2 TIP3 2964 37.364 76.760 -13.425 1.00 0.00 WT2 O ATOM 29798 H1 TIP3 2964 36.933 76.859 -12.576 1.00 0.00 WT2 H ATOM 29799 H2 TIP3 2964 37.796 75.907 -13.378 1.00 0.00 WT2 H ATOM 29800 OH2 TIP3 2966 69.976 39.270 58.644 1.00 0.00 WT2 O ATOM 29801 H1 TIP3 2966 70.032 38.870 57.777 1.00 0.00 WT2 H ATOM 29802 H2 TIP3 2966 69.142 38.962 58.998 1.00 0.00 WT2 H ATOM 29803 OH2 TIP3 2967 76.847 50.252 -14.829 1.00 0.00 WT2 O ATOM 29804 H1 TIP3 2967 77.677 50.304 -14.356 1.00 0.00 WT2 H ATOM 29805 H2 TIP3 2967 76.380 49.525 -14.417 1.00 0.00 WT2 H ATOM 29806 OH2 TIP3 2969 49.370 43.753 47.307 1.00 0.00 WT2 O ATOM 29807 H1 TIP3 2969 49.381 44.710 47.294 1.00 0.00 WT2 H ATOM 29808 H2 TIP3 2969 48.851 43.509 46.540 1.00 0.00 WT2 H ATOM 29809 OH2 TIP3 2972 52.979 10.262 37.443 1.00 0.00 WT2 O ATOM 29810 H1 TIP3 2972 53.459 10.725 38.129 1.00 0.00 WT2 H ATOM 29811 H2 TIP3 2972 52.322 10.891 37.144 1.00 0.00 WT2 H ATOM 29812 OH2 TIP3 2979 47.011 62.214 52.858 1.00 0.00 WT2 O ATOM 29813 H1 TIP3 2979 47.397 62.837 52.242 1.00 0.00 WT2 H ATOM 29814 H2 TIP3 2979 46.202 61.928 52.434 1.00 0.00 WT2 H ATOM 29815 OH2 TIP3 2983 31.130 75.347 6.304 1.00 0.00 WT2 O ATOM 29816 H1 TIP3 2983 31.721 75.981 5.897 1.00 0.00 WT2 H ATOM 29817 H2 TIP3 2983 30.627 74.986 5.575 1.00 0.00 WT2 H ATOM 29818 OH2 TIP3 2984 71.904 4.518 26.513 1.00 0.00 WT2 O ATOM 29819 H1 TIP3 2984 71.325 4.616 27.269 1.00 0.00 WT2 H ATOM 29820 H2 TIP3 2984 72.114 3.584 26.492 1.00 0.00 WT2 H ATOM 29821 OH2 TIP3 2986 68.963 83.110 51.411 1.00 0.00 WT2 O ATOM 29822 H1 TIP3 2986 68.559 82.311 51.751 1.00 0.00 WT2 H ATOM 29823 H2 TIP3 2986 69.743 82.806 50.947 1.00 0.00 WT2 H ATOM 29824 OH2 TIP3 2989 59.451 92.809 0.964 1.00 0.00 WT2 O ATOM 29825 H1 TIP3 2989 58.550 92.496 1.046 1.00 0.00 WT2 H ATOM 29826 H2 TIP3 2989 59.414 93.724 1.245 1.00 0.00 WT2 H ATOM 29827 OH2 TIP3 2990 24.974 2.979 43.938 1.00 0.00 WT2 O ATOM 29828 H1 TIP3 2990 24.925 2.429 43.156 1.00 0.00 WT2 H ATOM 29829 H2 TIP3 2990 25.598 2.531 44.508 1.00 0.00 WT2 H ATOM 29830 OH2 TIP3 2992 27.505 92.456 64.316 1.00 0.00 WT2 O ATOM 29831 H1 TIP3 2992 27.077 93.308 64.228 1.00 0.00 WT2 H ATOM 29832 H2 TIP3 2992 27.951 92.325 63.479 1.00 0.00 WT2 H ATOM 29833 OH2 TIP3 3002 42.805 7.817 47.520 1.00 0.00 WT2 O ATOM 29834 H1 TIP3 3002 42.095 7.855 46.880 1.00 0.00 WT2 H ATOM 29835 H2 TIP3 3002 42.580 8.485 48.168 1.00 0.00 WT2 H ATOM 29836 OH2 TIP3 3006 73.126 11.631 41.249 1.00 0.00 WT2 O ATOM 29837 H1 TIP3 3006 72.599 11.242 41.948 1.00 0.00 WT2 H ATOM 29838 H2 TIP3 3006 73.360 12.498 41.581 1.00 0.00 WT2 H ATOM 29839 OH2 TIP3 3009 36.074 56.312 -12.980 1.00 0.00 WT2 O ATOM 29840 H1 TIP3 3009 36.116 55.690 -12.254 1.00 0.00 WT2 H ATOM 29841 H2 TIP3 3009 36.977 56.378 -13.291 1.00 0.00 WT2 H ATOM 29842 OH2 TIP3 3010 78.120 11.754 52.664 1.00 0.00 WT2 O ATOM 29843 H1 TIP3 3010 77.846 11.736 51.747 1.00 0.00 WT2 H ATOM 29844 H2 TIP3 3010 77.460 12.293 53.101 1.00 0.00 WT2 H ATOM 29845 OH2 TIP3 3011 25.745 60.729 0.405 1.00 0.00 WT2 O ATOM 29846 H1 TIP3 3011 25.149 60.071 0.762 1.00 0.00 WT2 H ATOM 29847 H2 TIP3 3011 26.597 60.511 0.783 1.00 0.00 WT2 H ATOM 29848 OH2 TIP3 3012 82.503 0.628 -17.728 1.00 0.00 WT2 O ATOM 29849 H1 TIP3 3012 82.088 1.200 -17.083 1.00 0.00 WT2 H ATOM 29850 H2 TIP3 3012 83.209 0.196 -17.247 1.00 0.00 WT2 H ATOM 29851 OH2 TIP3 3013 66.020 9.011 1.900 1.00 0.00 WT2 O ATOM 29852 H1 TIP3 3013 65.973 9.786 2.461 1.00 0.00 WT2 H ATOM 29853 H2 TIP3 3013 65.551 8.334 2.388 1.00 0.00 WT2 H ATOM 29854 OH2 TIP3 3018 73.659 57.775 58.691 1.00 0.00 WT2 O ATOM 29855 H1 TIP3 3018 73.141 57.001 58.913 1.00 0.00 WT2 H ATOM 29856 H2 TIP3 3018 73.802 57.705 57.747 1.00 0.00 WT2 H ATOM 29857 OH2 TIP3 3027 89.108 13.526 45.358 1.00 0.00 WT2 O ATOM 29858 H1 TIP3 3027 88.696 13.234 46.171 1.00 0.00 WT2 H ATOM 29859 H2 TIP3 3027 88.386 13.597 44.734 1.00 0.00 WT2 H ATOM 29860 OH2 TIP3 3028 71.586 70.540 29.259 1.00 0.00 WT2 O ATOM 29861 H1 TIP3 3028 70.700 70.759 28.968 1.00 0.00 WT2 H ATOM 29862 H2 TIP3 3028 71.699 71.028 30.074 1.00 0.00 WT2 H ATOM 29863 OH2 TIP3 3029 44.431 27.205 39.476 1.00 0.00 WT2 O ATOM 29864 H1 TIP3 3029 44.511 28.133 39.257 1.00 0.00 WT2 H ATOM 29865 H2 TIP3 3029 43.824 27.184 40.215 1.00 0.00 WT2 H ATOM 29866 OH2 TIP3 3046 49.548 77.592 38.089 1.00 0.00 WT2 O ATOM 29867 H1 TIP3 3046 50.402 78.023 38.127 1.00 0.00 WT2 H ATOM 29868 H2 TIP3 3046 48.949 78.207 38.514 1.00 0.00 WT2 H ATOM 29869 OH2 TIP3 3048 82.830 13.767 47.773 1.00 0.00 WT2 O ATOM 29870 H1 TIP3 3048 82.828 12.820 47.915 1.00 0.00 WT2 H ATOM 29871 H2 TIP3 3048 82.745 14.141 48.650 1.00 0.00 WT2 H ATOM 29872 OH2 TIP3 3049 84.318 32.336 52.833 1.00 0.00 WT2 O ATOM 29873 H1 TIP3 3049 84.606 32.114 51.948 1.00 0.00 WT2 H ATOM 29874 H2 TIP3 3049 84.676 31.641 53.384 1.00 0.00 WT2 H ATOM 29875 OH2 TIP3 3050 64.378 61.397 56.801 1.00 0.00 WT2 O ATOM 29876 H1 TIP3 3050 63.592 61.237 57.325 1.00 0.00 WT2 H ATOM 29877 H2 TIP3 3050 64.729 60.525 56.622 1.00 0.00 WT2 H ATOM 29878 OH2 TIP3 3051 55.645 76.867 -8.291 1.00 0.00 WT2 O ATOM 29879 H1 TIP3 3051 54.942 76.682 -8.913 1.00 0.00 WT2 H ATOM 29880 H2 TIP3 3051 55.540 76.206 -7.607 1.00 0.00 WT2 H ATOM 29881 OH2 TIP3 3052 45.977 61.964 60.359 1.00 0.00 WT2 O ATOM 29882 H1 TIP3 3052 46.074 62.915 60.400 1.00 0.00 WT2 H ATOM 29883 H2 TIP3 3052 46.486 61.704 59.591 1.00 0.00 WT2 H ATOM 29884 OH2 TIP3 3067 82.686 82.787 46.877 1.00 0.00 WT2 O ATOM 29885 H1 TIP3 3067 83.474 82.365 47.221 1.00 0.00 WT2 H ATOM 29886 H2 TIP3 3067 82.648 82.513 45.960 1.00 0.00 WT2 H ATOM 29887 OH2 TIP3 3069 40.542 75.400 -1.819 1.00 0.00 WT2 O ATOM 29888 H1 TIP3 3069 41.283 74.807 -1.689 1.00 0.00 WT2 H ATOM 29889 H2 TIP3 3069 40.017 75.306 -1.025 1.00 0.00 WT2 H ATOM 29890 OH2 TIP3 3070 59.310 21.001 8.788 1.00 0.00 WT2 O ATOM 29891 H1 TIP3 3070 58.477 20.561 8.956 1.00 0.00 WT2 H ATOM 29892 H2 TIP3 3070 59.195 21.414 7.932 1.00 0.00 WT2 H ATOM 29893 OH2 TIP3 3072 83.485 92.360 65.793 1.00 0.00 WT2 O ATOM 29894 H1 TIP3 3072 84.126 91.678 65.589 1.00 0.00 WT2 H ATOM 29895 H2 TIP3 3072 82.933 92.410 65.013 1.00 0.00 WT2 H ATOM 29896 OH2 TIP3 3073 82.643 47.020 65.580 1.00 0.00 WT2 O ATOM 29897 H1 TIP3 3073 82.230 47.749 66.043 1.00 0.00 WT2 H ATOM 29898 H2 TIP3 3073 81.912 46.476 65.288 1.00 0.00 WT2 H ATOM 29899 OH2 TIP3 3076 47.253 71.779 50.164 1.00 0.00 WT2 O ATOM 29900 H1 TIP3 3076 47.706 71.216 49.537 1.00 0.00 WT2 H ATOM 29901 H2 TIP3 3076 46.793 71.171 50.743 1.00 0.00 WT2 H ATOM 29902 OH2 TIP3 3085 85.053 85.496 42.747 1.00 0.00 WT2 O ATOM 29903 H1 TIP3 3085 84.749 86.258 42.254 1.00 0.00 WT2 H ATOM 29904 H2 TIP3 3085 84.931 84.758 42.150 1.00 0.00 WT2 H ATOM 29905 OH2 TIP3 3086 28.310 9.115 48.808 1.00 0.00 WT2 O ATOM 29906 H1 TIP3 3086 28.344 10.016 48.487 1.00 0.00 WT2 H ATOM 29907 H2 TIP3 3086 29.195 8.778 48.674 1.00 0.00 WT2 H ATOM 29908 OH2 TIP3 3087 35.636 48.276 37.627 1.00 0.00 WT2 O ATOM 29909 H1 TIP3 3087 36.425 47.864 37.980 1.00 0.00 WT2 H ATOM 29910 H2 TIP3 3087 35.863 48.491 36.722 1.00 0.00 WT2 H ATOM 29911 OH2 TIP3 3088 56.226 41.504 39.010 1.00 0.00 WT2 O ATOM 29912 H1 TIP3 3088 57.078 41.535 38.574 1.00 0.00 WT2 H ATOM 29913 H2 TIP3 3088 56.227 42.262 39.593 1.00 0.00 WT2 H ATOM 29914 OH2 TIP3 3091 39.154 71.180 28.519 1.00 0.00 WT2 O ATOM 29915 H1 TIP3 3091 39.624 70.439 28.137 1.00 0.00 WT2 H ATOM 29916 H2 TIP3 3091 39.769 71.911 28.459 1.00 0.00 WT2 H ATOM 29917 OH2 TIP3 3092 41.598 68.426 -7.672 1.00 0.00 WT2 O ATOM 29918 H1 TIP3 3092 42.044 68.307 -6.834 1.00 0.00 WT2 H ATOM 29919 H2 TIP3 3092 41.053 69.202 -7.546 1.00 0.00 WT2 H ATOM 29920 OH2 TIP3 3093 54.339 50.654 59.472 1.00 0.00 WT2 O ATOM 29921 H1 TIP3 3093 53.417 50.834 59.286 1.00 0.00 WT2 H ATOM 29922 H2 TIP3 3093 54.516 51.127 60.285 1.00 0.00 WT2 H ATOM 29923 OH2 TIP3 3094 61.284 94.411 46.535 1.00 0.00 WT2 O ATOM 29924 H1 TIP3 3094 60.462 94.473 47.020 1.00 0.00 WT2 H ATOM 29925 H2 TIP3 3094 61.114 94.874 45.714 1.00 0.00 WT2 H ATOM 29926 OH2 TIP3 3095 78.409 90.631 64.021 1.00 0.00 WT2 O ATOM 29927 H1 TIP3 3095 77.461 90.744 64.081 1.00 0.00 WT2 H ATOM 29928 H2 TIP3 3095 78.725 90.770 64.914 1.00 0.00 WT2 H ATOM 29929 OH2 TIP3 3097 74.766 44.611 -11.353 1.00 0.00 WT2 O ATOM 29930 H1 TIP3 3097 74.072 45.268 -11.411 1.00 0.00 WT2 H ATOM 29931 H2 TIP3 3097 75.018 44.609 -10.430 1.00 0.00 WT2 H ATOM 29932 OH2 TIP3 3108 39.567 13.846 37.357 1.00 0.00 WT2 O ATOM 29933 H1 TIP3 3108 39.741 14.031 36.434 1.00 0.00 WT2 H ATOM 29934 H2 TIP3 3108 39.758 14.669 37.807 1.00 0.00 WT2 H ATOM 29935 OH2 TIP3 3109 48.060 59.802 64.838 1.00 0.00 WT2 O ATOM 29936 H1 TIP3 3109 48.242 58.908 64.548 1.00 0.00 WT2 H ATOM 29937 H2 TIP3 3109 48.097 60.326 64.038 1.00 0.00 WT2 H ATOM 29938 OH2 TIP3 3110 24.894 57.620 40.776 1.00 0.00 WT2 O ATOM 29939 H1 TIP3 3110 24.558 57.442 39.898 1.00 0.00 WT2 H ATOM 29940 H2 TIP3 3110 25.044 58.565 40.789 1.00 0.00 WT2 H ATOM 29941 OH2 TIP3 3111 50.391 9.534 51.586 1.00 0.00 WT2 O ATOM 29942 H1 TIP3 3111 50.041 10.315 51.158 1.00 0.00 WT2 H ATOM 29943 H2 TIP3 3111 50.334 8.849 50.920 1.00 0.00 WT2 H ATOM 29944 OH2 TIP3 3112 75.331 26.510 44.164 1.00 0.00 WT2 O ATOM 29945 H1 TIP3 3112 76.001 26.015 43.693 1.00 0.00 WT2 H ATOM 29946 H2 TIP3 3112 74.895 27.029 43.489 1.00 0.00 WT2 H ATOM 29947 OH2 TIP3 3114 49.186 30.328 -17.595 1.00 0.00 WT2 O ATOM 29948 H1 TIP3 3114 48.880 30.552 -18.473 1.00 0.00 WT2 H ATOM 29949 H2 TIP3 3114 48.968 31.093 -17.062 1.00 0.00 WT2 H ATOM 29950 OH2 TIP3 3115 20.416 3.245 52.370 1.00 0.00 WT2 O ATOM 29951 H1 TIP3 3115 20.143 2.894 53.217 1.00 0.00 WT2 H ATOM 29952 H2 TIP3 3115 20.726 2.482 51.883 1.00 0.00 WT2 H ATOM 29953 OH2 TIP3 3116 39.083 88.521 25.397 1.00 0.00 WT2 O ATOM 29954 H1 TIP3 3116 39.476 88.012 26.105 1.00 0.00 WT2 H ATOM 29955 H2 TIP3 3116 38.661 87.869 24.838 1.00 0.00 WT2 H ATOM 29956 OH2 TIP3 3128 38.042 9.941 53.893 1.00 0.00 WT2 O ATOM 29957 H1 TIP3 3128 38.121 10.868 53.666 1.00 0.00 WT2 H ATOM 29958 H2 TIP3 3128 37.917 9.936 54.842 1.00 0.00 WT2 H ATOM 29959 OH2 TIP3 3129 50.128 42.676 32.461 1.00 0.00 WT2 O ATOM 29960 H1 TIP3 3129 50.283 42.834 31.530 1.00 0.00 WT2 H ATOM 29961 H2 TIP3 3129 49.654 41.845 32.488 1.00 0.00 WT2 H ATOM 29962 OH2 TIP3 3131 42.820 15.047 50.906 1.00 0.00 WT2 O ATOM 29963 H1 TIP3 3131 42.814 16.004 50.897 1.00 0.00 WT2 H ATOM 29964 H2 TIP3 3131 42.459 14.797 50.056 1.00 0.00 WT2 H ATOM 29965 OH2 TIP3 3134 69.371 24.830 -9.170 1.00 0.00 WT2 O ATOM 29966 H1 TIP3 3134 68.494 25.149 -8.956 1.00 0.00 WT2 H ATOM 29967 H2 TIP3 3134 69.566 25.219 -10.022 1.00 0.00 WT2 H ATOM 29968 OH2 TIP3 3140 71.884 95.463 30.868 1.00 0.00 WT2 O ATOM 29969 H1 TIP3 3140 71.835 94.518 31.015 1.00 0.00 WT2 H ATOM 29970 H2 TIP3 3140 71.542 95.849 31.675 1.00 0.00 WT2 H ATOM 29971 OH2 TIP3 3150 31.242 27.669 -2.882 1.00 0.00 WT2 O ATOM 29972 H1 TIP3 3150 31.460 26.740 -2.957 1.00 0.00 WT2 H ATOM 29973 H2 TIP3 3150 32.055 28.083 -2.592 1.00 0.00 WT2 H ATOM 29974 OH2 TIP3 3151 22.056 86.700 -17.312 1.00 0.00 WT2 O ATOM 29975 H1 TIP3 3151 22.697 86.523 -16.623 1.00 0.00 WT2 H ATOM 29976 H2 TIP3 3151 22.343 86.161 -18.049 1.00 0.00 WT2 H ATOM 29977 OH2 TIP3 3152 37.470 38.184 43.415 1.00 0.00 WT2 O ATOM 29978 H1 TIP3 3152 38.024 37.998 42.657 1.00 0.00 WT2 H ATOM 29979 H2 TIP3 3152 36.871 38.867 43.112 1.00 0.00 WT2 H ATOM 29980 OH2 TIP3 3153 77.700 61.269 21.197 1.00 0.00 WT2 O ATOM 29981 H1 TIP3 3153 77.866 61.825 21.958 1.00 0.00 WT2 H ATOM 29982 H2 TIP3 3153 77.966 60.393 21.477 1.00 0.00 WT2 H ATOM 29983 OH2 TIP3 3154 81.828 82.905 31.528 1.00 0.00 WT2 O ATOM 29984 H1 TIP3 3154 81.611 83.610 30.918 1.00 0.00 WT2 H ATOM 29985 H2 TIP3 3154 82.561 83.249 32.040 1.00 0.00 WT2 H ATOM 29986 OH2 TIP3 3157 52.333 74.739 50.840 1.00 0.00 WT2 O ATOM 29987 H1 TIP3 3157 51.772 74.907 50.083 1.00 0.00 WT2 H ATOM 29988 H2 TIP3 3157 51.857 75.115 51.580 1.00 0.00 WT2 H ATOM 29989 OH2 TIP3 3173 48.028 88.902 42.432 1.00 0.00 WT2 O ATOM 29990 H1 TIP3 3173 47.565 88.710 41.616 1.00 0.00 WT2 H ATOM 29991 H2 TIP3 3173 48.101 88.054 42.871 1.00 0.00 WT2 H ATOM 29992 OH2 TIP3 3174 36.875 61.560 35.299 1.00 0.00 WT2 O ATOM 29993 H1 TIP3 3174 37.528 60.875 35.444 1.00 0.00 WT2 H ATOM 29994 H2 TIP3 3174 37.284 62.153 34.669 1.00 0.00 WT2 H ATOM 29995 OH2 TIP3 3176 67.594 23.665 30.963 1.00 0.00 WT2 O ATOM 29996 H1 TIP3 3176 67.600 23.722 30.008 1.00 0.00 WT2 H ATOM 29997 H2 TIP3 3176 67.968 24.496 31.256 1.00 0.00 WT2 H ATOM 29998 OH2 TIP3 3177 83.502 96.710 32.791 1.00 0.00 WT2 O ATOM 29999 H1 TIP3 3177 84.455 96.625 32.813 1.00 0.00 WT2 H ATOM 30000 H2 TIP3 3177 83.226 96.138 32.074 1.00 0.00 WT2 H ATOM 30001 OH2 TIP3 3179 58.158 81.210 46.552 1.00 0.00 WT2 O ATOM 30002 H1 TIP3 3179 58.984 80.845 46.234 1.00 0.00 WT2 H ATOM 30003 H2 TIP3 3179 57.886 80.615 47.251 1.00 0.00 WT2 H ATOM 30004 OH2 TIP3 3187 88.562 66.417 62.206 1.00 0.00 WT2 O ATOM 30005 H1 TIP3 3187 88.741 66.234 63.128 1.00 0.00 WT2 H ATOM 30006 H2 TIP3 3187 88.430 67.364 62.171 1.00 0.00 WT2 H ATOM 30007 OH2 TIP3 3192 32.351 14.941 9.010 1.00 0.00 WT2 O ATOM 30008 H1 TIP3 3192 32.033 15.581 9.646 1.00 0.00 WT2 H ATOM 30009 H2 TIP3 3192 32.968 14.399 9.502 1.00 0.00 WT2 H ATOM 30010 OH2 TIP3 3193 77.259 3.870 64.190 1.00 0.00 WT2 O ATOM 30011 H1 TIP3 3193 78.154 4.208 64.241 1.00 0.00 WT2 H ATOM 30012 H2 TIP3 3193 76.915 4.223 63.370 1.00 0.00 WT2 H ATOM 30013 OH2 TIP3 3195 28.882 57.277 15.467 1.00 0.00 WT2 O ATOM 30014 H1 TIP3 3195 29.123 57.028 16.359 1.00 0.00 WT2 H ATOM 30015 H2 TIP3 3195 29.698 57.211 14.971 1.00 0.00 WT2 H ATOM 30016 OH2 TIP3 3196 56.956 93.505 -4.657 1.00 0.00 WT2 O ATOM 30017 H1 TIP3 3196 56.168 94.048 -4.640 1.00 0.00 WT2 H ATOM 30018 H2 TIP3 3196 57.312 93.571 -3.771 1.00 0.00 WT2 H ATOM 30019 OH2 TIP3 3197 48.337 4.488 59.763 1.00 0.00 WT2 O ATOM 30020 H1 TIP3 3197 48.744 4.287 58.921 1.00 0.00 WT2 H ATOM 30021 H2 TIP3 3197 49.033 4.350 60.405 1.00 0.00 WT2 H ATOM 30022 OH2 TIP3 3198 68.655 87.180 -2.927 1.00 0.00 WT2 O ATOM 30023 H1 TIP3 3198 68.854 87.520 -2.055 1.00 0.00 WT2 H ATOM 30024 H2 TIP3 3198 69.212 87.688 -3.516 1.00 0.00 WT2 H ATOM 30025 OH2 TIP3 3200 33.368 88.298 -7.810 1.00 0.00 WT2 O ATOM 30026 H1 TIP3 3200 32.611 87.735 -7.648 1.00 0.00 WT2 H ATOM 30027 H2 TIP3 3200 33.980 88.084 -7.105 1.00 0.00 WT2 H ATOM 30028 OH2 TIP3 3202 35.436 31.891 7.022 1.00 0.00 WT2 O ATOM 30029 H1 TIP3 3202 35.874 31.870 7.873 1.00 0.00 WT2 H ATOM 30030 H2 TIP3 3202 35.266 30.972 6.817 1.00 0.00 WT2 H ATOM 30031 OH2 TIP3 3214 26.307 31.589 38.539 1.00 0.00 WT2 O ATOM 30032 H1 TIP3 3214 26.497 32.095 37.749 1.00 0.00 WT2 H ATOM 30033 H2 TIP3 3214 26.669 30.721 38.360 1.00 0.00 WT2 H ATOM 30034 OH2 TIP3 3215 27.771 84.665 46.706 1.00 0.00 WT2 O ATOM 30035 H1 TIP3 3215 26.944 85.129 46.834 1.00 0.00 WT2 H ATOM 30036 H2 TIP3 3215 27.537 83.898 46.182 1.00 0.00 WT2 H ATOM 30037 OH2 TIP3 3218 31.924 30.949 2.227 1.00 0.00 WT2 O ATOM 30038 H1 TIP3 3218 31.033 30.960 2.575 1.00 0.00 WT2 H ATOM 30039 H2 TIP3 3218 32.065 31.838 1.901 1.00 0.00 WT2 H ATOM 30040 OH2 TIP3 3220 53.426 52.945 43.818 1.00 0.00 WT2 O ATOM 30041 H1 TIP3 3220 53.741 53.478 43.088 1.00 0.00 WT2 H ATOM 30042 H2 TIP3 3220 53.595 52.043 43.548 1.00 0.00 WT2 H ATOM 30043 OH2 TIP3 3233 37.123 48.133 51.854 1.00 0.00 WT2 O ATOM 30044 H1 TIP3 3233 37.669 48.890 52.067 1.00 0.00 WT2 H ATOM 30045 H2 TIP3 3233 36.606 48.414 51.100 1.00 0.00 WT2 H ATOM 30046 OH2 TIP3 3234 78.584 89.808 -1.240 1.00 0.00 WT2 O ATOM 30047 H1 TIP3 3234 78.234 90.569 -0.777 1.00 0.00 WT2 H ATOM 30048 H2 TIP3 3234 79.495 90.038 -1.423 1.00 0.00 WT2 H ATOM 30049 OH2 TIP3 3236 24.288 30.900 17.612 1.00 0.00 WT2 O ATOM 30050 H1 TIP3 3236 23.733 31.073 18.373 1.00 0.00 WT2 H ATOM 30051 H2 TIP3 3236 24.373 31.749 17.179 1.00 0.00 WT2 H ATOM 30052 OH2 TIP3 3237 79.214 79.665 53.047 1.00 0.00 WT2 O ATOM 30053 H1 TIP3 3237 80.063 79.750 52.614 1.00 0.00 WT2 H ATOM 30054 H2 TIP3 3237 79.300 78.885 53.595 1.00 0.00 WT2 H ATOM 30055 OH2 TIP3 3238 29.222 30.244 21.312 1.00 0.00 WT2 O ATOM 30056 H1 TIP3 3238 29.291 31.152 21.016 1.00 0.00 WT2 H ATOM 30057 H2 TIP3 3238 29.505 30.268 22.226 1.00 0.00 WT2 H ATOM 30058 OH2 TIP3 3239 29.515 74.378 -1.731 1.00 0.00 WT2 O ATOM 30059 H1 TIP3 3239 29.928 75.040 -2.284 1.00 0.00 WT2 H ATOM 30060 H2 TIP3 3239 30.168 73.682 -1.660 1.00 0.00 WT2 H ATOM 30061 OH2 TIP3 3240 78.017 65.286 57.514 1.00 0.00 WT2 O ATOM 30062 H1 TIP3 3240 77.913 64.370 57.257 1.00 0.00 WT2 H ATOM 30063 H2 TIP3 3240 78.735 65.608 56.969 1.00 0.00 WT2 H ATOM 30064 OH2 TIP3 3241 67.712 2.894 29.649 1.00 0.00 WT2 O ATOM 30065 H1 TIP3 3241 68.621 2.641 29.485 1.00 0.00 WT2 H ATOM 30066 H2 TIP3 3241 67.271 2.074 29.870 1.00 0.00 WT2 H ATOM 30067 OH2 TIP3 3242 83.972 18.658 53.331 1.00 0.00 WT2 O ATOM 30068 H1 TIP3 3242 84.871 18.630 53.658 1.00 0.00 WT2 H ATOM 30069 H2 TIP3 3242 83.569 17.857 53.668 1.00 0.00 WT2 H ATOM 30070 OH2 TIP3 3243 71.615 39.723 17.379 1.00 0.00 WT2 O ATOM 30071 H1 TIP3 3243 71.358 39.856 16.467 1.00 0.00 WT2 H ATOM 30072 H2 TIP3 3243 72.550 39.524 17.338 1.00 0.00 WT2 H ATOM 30073 OH2 TIP3 3244 52.759 58.552 -5.368 1.00 0.00 WT2 O ATOM 30074 H1 TIP3 3244 52.292 58.468 -4.536 1.00 0.00 WT2 H ATOM 30075 H2 TIP3 3244 53.683 58.473 -5.134 1.00 0.00 WT2 H ATOM 30076 OH2 TIP3 3257 78.680 31.829 66.326 1.00 0.00 WT2 O ATOM 30077 H1 TIP3 3257 78.363 32.730 66.387 1.00 0.00 WT2 H ATOM 30078 H2 TIP3 3257 77.983 31.360 65.868 1.00 0.00 WT2 H ATOM 30079 OH2 TIP3 3258 61.600 52.919 64.443 1.00 0.00 WT2 O ATOM 30080 H1 TIP3 3258 62.362 53.470 64.263 1.00 0.00 WT2 H ATOM 30081 H2 TIP3 3258 61.435 53.035 65.379 1.00 0.00 WT2 H ATOM 30082 OH2 TIP3 3262 90.226 93.936 41.210 1.00 0.00 WT2 O ATOM 30083 H1 TIP3 3262 90.409 93.217 40.605 1.00 0.00 WT2 H ATOM 30084 H2 TIP3 3262 90.619 93.658 42.038 1.00 0.00 WT2 H ATOM 30085 OH2 TIP3 3274 30.554 17.391 -3.612 1.00 0.00 WT2 O ATOM 30086 H1 TIP3 3274 30.681 16.862 -4.399 1.00 0.00 WT2 H ATOM 30087 H2 TIP3 3274 31.361 17.899 -3.531 1.00 0.00 WT2 H ATOM 30088 OH2 TIP3 3275 88.553 38.725 43.271 1.00 0.00 WT2 O ATOM 30089 H1 TIP3 3275 89.021 38.237 43.949 1.00 0.00 WT2 H ATOM 30090 H2 TIP3 3275 88.415 39.592 43.652 1.00 0.00 WT2 H ATOM 30091 OH2 TIP3 3276 39.354 36.800 0.352 1.00 0.00 WT2 O ATOM 30092 H1 TIP3 3276 39.131 37.522 -0.236 1.00 0.00 WT2 H ATOM 30093 H2 TIP3 3276 40.239 37.002 0.655 1.00 0.00 WT2 H ATOM 30094 OH2 TIP3 3277 30.349 42.828 63.272 1.00 0.00 WT2 O ATOM 30095 H1 TIP3 3277 30.207 41.902 63.468 1.00 0.00 WT2 H ATOM 30096 H2 TIP3 3277 30.246 43.271 64.114 1.00 0.00 WT2 H ATOM 30097 OH2 TIP3 3278 56.981 67.764 28.050 1.00 0.00 WT2 O ATOM 30098 H1 TIP3 3278 57.395 66.972 27.707 1.00 0.00 WT2 H ATOM 30099 H2 TIP3 3278 56.213 67.893 27.494 1.00 0.00 WT2 H ATOM 30100 OH2 TIP3 3279 52.597 37.431 63.320 1.00 0.00 WT2 O ATOM 30101 H1 TIP3 3279 53.272 37.428 63.998 1.00 0.00 WT2 H ATOM 30102 H2 TIP3 3279 52.836 38.159 62.746 1.00 0.00 WT2 H ATOM 30103 OH2 TIP3 3280 35.617 78.812 51.486 1.00 0.00 WT2 O ATOM 30104 H1 TIP3 3280 35.528 79.722 51.770 1.00 0.00 WT2 H ATOM 30105 H2 TIP3 3280 34.823 78.639 50.981 1.00 0.00 WT2 H ATOM 30106 OH2 TIP3 3282 34.301 2.272 43.687 1.00 0.00 WT2 O ATOM 30107 H1 TIP3 3282 33.638 1.867 43.127 1.00 0.00 WT2 H ATOM 30108 H2 TIP3 3282 35.061 1.695 43.615 1.00 0.00 WT2 H ATOM 30109 OH2 TIP3 3283 36.538 74.766 29.489 1.00 0.00 WT2 O ATOM 30110 H1 TIP3 3283 36.535 73.813 29.579 1.00 0.00 WT2 H ATOM 30111 H2 TIP3 3283 37.115 74.936 28.745 1.00 0.00 WT2 H ATOM 30112 OH2 TIP3 3284 70.836 44.839 -16.618 1.00 0.00 WT2 O ATOM 30113 H1 TIP3 3284 71.598 44.607 -17.148 1.00 0.00 WT2 H ATOM 30114 H2 TIP3 3284 70.472 45.613 -17.047 1.00 0.00 WT2 H ATOM 30115 OH2 TIP3 3296 76.041 59.736 48.821 1.00 0.00 WT2 O ATOM 30116 H1 TIP3 3296 75.347 59.130 49.081 1.00 0.00 WT2 H ATOM 30117 H2 TIP3 3296 76.097 60.362 49.544 1.00 0.00 WT2 H ATOM 30118 OH2 TIP3 3298 39.351 17.899 27.485 1.00 0.00 WT2 O ATOM 30119 H1 TIP3 3298 39.452 18.573 28.158 1.00 0.00 WT2 H ATOM 30120 H2 TIP3 3298 39.470 18.366 26.658 1.00 0.00 WT2 H ATOM 30121 OH2 TIP3 3301 82.005 4.419 7.322 1.00 0.00 WT2 O ATOM 30122 H1 TIP3 3301 81.337 3.774 7.556 1.00 0.00 WT2 H ATOM 30123 H2 TIP3 3301 82.046 5.006 8.077 1.00 0.00 WT2 H ATOM 30124 OH2 TIP3 3302 85.255 16.621 44.407 1.00 0.00 WT2 O ATOM 30125 H1 TIP3 3302 85.435 15.695 44.246 1.00 0.00 WT2 H ATOM 30126 H2 TIP3 3302 84.481 16.621 44.970 1.00 0.00 WT2 H ATOM 30127 OH2 TIP3 3303 36.719 85.341 47.887 1.00 0.00 WT2 O ATOM 30128 H1 TIP3 3303 36.058 84.836 48.362 1.00 0.00 WT2 H ATOM 30129 H2 TIP3 3303 36.629 86.232 48.226 1.00 0.00 WT2 H ATOM 30130 OH2 TIP3 3304 62.609 22.248 24.715 1.00 0.00 WT2 O ATOM 30131 H1 TIP3 3304 62.473 21.432 24.234 1.00 0.00 WT2 H ATOM 30132 H2 TIP3 3304 61.745 22.471 25.061 1.00 0.00 WT2 H ATOM 30133 OH2 TIP3 3308 46.011 84.126 0.030 1.00 0.00 WT2 O ATOM 30134 H1 TIP3 3308 45.913 83.226 -0.281 1.00 0.00 WT2 H ATOM 30135 H2 TIP3 3308 46.652 84.517 -0.563 1.00 0.00 WT2 H ATOM 30136 OH2 TIP3 3317 33.962 84.124 9.980 1.00 0.00 WT2 O ATOM 30137 H1 TIP3 3317 34.079 83.204 9.745 1.00 0.00 WT2 H ATOM 30138 H2 TIP3 3317 33.544 84.518 9.214 1.00 0.00 WT2 H ATOM 30139 OH2 TIP3 3319 53.203 15.693 -9.849 1.00 0.00 WT2 O ATOM 30140 H1 TIP3 3319 52.552 15.022 -10.055 1.00 0.00 WT2 H ATOM 30141 H2 TIP3 3319 53.021 16.401 -10.468 1.00 0.00 WT2 H ATOM 30142 OH2 TIP3 3320 49.933 33.222 46.818 1.00 0.00 WT2 O ATOM 30143 H1 TIP3 3320 50.802 32.844 46.948 1.00 0.00 WT2 H ATOM 30144 H2 TIP3 3320 49.640 33.461 47.698 1.00 0.00 WT2 H ATOM 30145 OH2 TIP3 3321 48.330 31.186 -5.284 1.00 0.00 WT2 O ATOM 30146 H1 TIP3 3321 47.956 31.551 -4.482 1.00 0.00 WT2 H ATOM 30147 H2 TIP3 3321 47.933 30.319 -5.361 1.00 0.00 WT2 H ATOM 30148 OH2 TIP3 3322 31.008 16.869 36.919 1.00 0.00 WT2 O ATOM 30149 H1 TIP3 3322 31.177 16.072 36.417 1.00 0.00 WT2 H ATOM 30150 H2 TIP3 3322 31.876 17.181 37.175 1.00 0.00 WT2 H ATOM 30151 OH2 TIP3 3323 66.179 5.278 13.226 1.00 0.00 WT2 O ATOM 30152 H1 TIP3 3323 65.530 5.810 13.687 1.00 0.00 WT2 H ATOM 30153 H2 TIP3 3323 66.978 5.805 13.245 1.00 0.00 WT2 H ATOM 30154 OH2 TIP3 3326 72.952 50.137 -17.248 1.00 0.00 WT2 O ATOM 30155 H1 TIP3 3326 72.326 50.682 -17.726 1.00 0.00 WT2 H ATOM 30156 H2 TIP3 3326 72.501 49.913 -16.434 1.00 0.00 WT2 H ATOM 30157 OH2 TIP3 3337 81.442 19.750 54.047 1.00 0.00 WT2 O ATOM 30158 H1 TIP3 3337 80.849 19.752 53.296 1.00 0.00 WT2 H ATOM 30159 H2 TIP3 3337 82.209 19.263 53.746 1.00 0.00 WT2 H ATOM 30160 OH2 TIP3 3341 21.783 13.728 45.670 1.00 0.00 WT2 O ATOM 30161 H1 TIP3 3341 20.930 13.653 45.243 1.00 0.00 WT2 H ATOM 30162 H2 TIP3 3341 22.357 13.154 45.162 1.00 0.00 WT2 H ATOM 30163 OH2 TIP3 3342 39.397 52.223 61.827 1.00 0.00 WT2 O ATOM 30164 H1 TIP3 3342 38.544 52.467 61.467 1.00 0.00 WT2 H ATOM 30165 H2 TIP3 3342 39.875 51.856 61.084 1.00 0.00 WT2 H ATOM 30166 OH2 TIP3 3344 28.999 37.746 41.598 1.00 0.00 WT2 O ATOM 30167 H1 TIP3 3344 29.612 38.032 42.275 1.00 0.00 WT2 H ATOM 30168 H2 TIP3 3344 28.208 38.261 41.758 1.00 0.00 WT2 H ATOM 30169 OH2 TIP3 3345 64.271 66.459 44.304 1.00 0.00 WT2 O ATOM 30170 H1 TIP3 3345 64.495 65.655 43.836 1.00 0.00 WT2 H ATOM 30171 H2 TIP3 3345 63.649 66.906 43.729 1.00 0.00 WT2 H ATOM 30172 OH2 TIP3 3347 59.095 29.437 -8.734 1.00 0.00 WT2 O ATOM 30173 H1 TIP3 3347 58.899 30.351 -8.528 1.00 0.00 WT2 H ATOM 30174 H2 TIP3 3347 58.808 28.950 -7.962 1.00 0.00 WT2 H ATOM 30175 OH2 TIP3 3348 26.905 49.026 24.431 1.00 0.00 WT2 O ATOM 30176 H1 TIP3 3348 27.594 49.380 24.994 1.00 0.00 WT2 H ATOM 30177 H2 TIP3 3348 27.205 48.143 24.212 1.00 0.00 WT2 H ATOM 30178 OH2 TIP3 3349 20.684 15.733 61.672 1.00 0.00 WT2 O ATOM 30179 H1 TIP3 3349 20.790 16.154 62.525 1.00 0.00 WT2 H ATOM 30180 H2 TIP3 3349 20.691 16.456 61.045 1.00 0.00 WT2 H ATOM 30181 OH2 TIP3 3360 90.214 0.687 37.770 1.00 0.00 WT2 O ATOM 30182 H1 TIP3 3360 90.056 0.685 36.826 1.00 0.00 WT2 H ATOM 30183 H2 TIP3 3360 91.161 0.793 37.856 1.00 0.00 WT2 H ATOM 30184 OH2 TIP3 3361 68.131 90.818 29.053 1.00 0.00 WT2 O ATOM 30185 H1 TIP3 3361 68.998 90.420 28.970 1.00 0.00 WT2 H ATOM 30186 H2 TIP3 3361 67.527 90.076 29.080 1.00 0.00 WT2 H ATOM 30187 OH2 TIP3 3362 81.946 85.423 65.666 1.00 0.00 WT2 O ATOM 30188 H1 TIP3 3362 81.634 86.288 65.932 1.00 0.00 WT2 H ATOM 30189 H2 TIP3 3362 82.491 85.130 66.397 1.00 0.00 WT2 H ATOM 30190 OH2 TIP3 3363 60.472 39.391 3.682 1.00 0.00 WT2 O ATOM 30191 H1 TIP3 3363 60.749 38.531 3.998 1.00 0.00 WT2 H ATOM 30192 H2 TIP3 3363 59.631 39.545 4.112 1.00 0.00 WT2 H ATOM 30193 OH2 TIP3 3364 75.063 84.433 23.996 1.00 0.00 WT2 O ATOM 30194 H1 TIP3 3364 75.727 83.961 24.498 1.00 0.00 WT2 H ATOM 30195 H2 TIP3 3364 74.998 83.951 23.171 1.00 0.00 WT2 H ATOM 30196 OH2 TIP3 3366 24.930 50.406 27.479 1.00 0.00 WT2 O ATOM 30197 H1 TIP3 3366 23.997 50.510 27.294 1.00 0.00 WT2 H ATOM 30198 H2 TIP3 3366 25.248 49.825 26.788 1.00 0.00 WT2 H ATOM 30199 OH2 TIP3 3367 61.818 17.254 -19.439 1.00 0.00 WT2 O ATOM 30200 H1 TIP3 3367 61.859 16.443 -19.945 1.00 0.00 WT2 H ATOM 30201 H2 TIP3 3367 62.427 17.844 -19.883 1.00 0.00 WT2 H ATOM 30202 OH2 TIP3 3381 55.868 9.375 1.203 1.00 0.00 WT2 O ATOM 30203 H1 TIP3 3381 56.664 8.932 1.498 1.00 0.00 WT2 H ATOM 30204 H2 TIP3 3381 55.826 10.171 1.734 1.00 0.00 WT2 H ATOM 30205 OH2 TIP3 3382 26.364 82.398 19.049 1.00 0.00 WT2 O ATOM 30206 H1 TIP3 3382 25.922 81.550 19.065 1.00 0.00 WT2 H ATOM 30207 H2 TIP3 3382 25.781 82.964 18.544 1.00 0.00 WT2 H ATOM 30208 OH2 TIP3 3383 83.638 49.869 -10.215 1.00 0.00 WT2 O ATOM 30209 H1 TIP3 3383 84.357 49.247 -10.325 1.00 0.00 WT2 H ATOM 30210 H2 TIP3 3383 83.050 49.687 -10.949 1.00 0.00 WT2 H ATOM 30211 OH2 TIP3 3384 34.490 48.659 -9.950 1.00 0.00 WT2 O ATOM 30212 H1 TIP3 3384 33.691 49.128 -10.191 1.00 0.00 WT2 H ATOM 30213 H2 TIP3 3384 34.192 47.960 -9.368 1.00 0.00 WT2 H ATOM 30214 OH2 TIP3 3386 63.193 24.809 1.291 1.00 0.00 WT2 O ATOM 30215 H1 TIP3 3386 63.931 25.008 0.715 1.00 0.00 WT2 H ATOM 30216 H2 TIP3 3386 62.479 25.357 0.965 1.00 0.00 WT2 H ATOM 30217 OH2 TIP3 3387 64.829 49.764 65.993 1.00 0.00 WT2 O ATOM 30218 H1 TIP3 3387 64.044 50.241 66.261 1.00 0.00 WT2 H ATOM 30219 H2 TIP3 3387 64.653 48.855 66.235 1.00 0.00 WT2 H ATOM 30220 OH2 TIP3 3388 89.702 6.966 -18.131 1.00 0.00 WT2 O ATOM 30221 H1 TIP3 3388 90.319 7.075 -18.854 1.00 0.00 WT2 H ATOM 30222 H2 TIP3 3388 89.580 6.019 -18.059 1.00 0.00 WT2 H ATOM 30223 OH2 TIP3 3389 29.162 60.309 -17.383 1.00 0.00 WT2 O ATOM 30224 H1 TIP3 3389 29.469 59.451 -17.090 1.00 0.00 WT2 H ATOM 30225 H2 TIP3 3389 28.746 60.140 -18.228 1.00 0.00 WT2 H ATOM 30226 OH2 TIP3 3402 31.971 60.976 47.858 1.00 0.00 WT2 O ATOM 30227 H1 TIP3 3402 32.008 60.032 48.014 1.00 0.00 WT2 H ATOM 30228 H2 TIP3 3402 32.685 61.147 47.244 1.00 0.00 WT2 H ATOM 30229 OH2 TIP3 3404 40.006 71.565 35.732 1.00 0.00 WT2 O ATOM 30230 H1 TIP3 3404 40.155 72.492 35.548 1.00 0.00 WT2 H ATOM 30231 H2 TIP3 3404 40.042 71.501 36.687 1.00 0.00 WT2 H ATOM 30232 OH2 TIP3 3405 59.057 71.367 -6.878 1.00 0.00 WT2 O ATOM 30233 H1 TIP3 3405 59.970 71.114 -6.743 1.00 0.00 WT2 H ATOM 30234 H2 TIP3 3405 58.796 71.773 -6.052 1.00 0.00 WT2 H ATOM 30235 OH2 TIP3 3406 30.182 62.848 -10.725 1.00 0.00 WT2 O ATOM 30236 H1 TIP3 3406 29.686 62.029 -10.706 1.00 0.00 WT2 H ATOM 30237 H2 TIP3 3406 29.697 63.435 -10.145 1.00 0.00 WT2 H ATOM 30238 OH2 TIP3 3407 76.944 36.702 54.975 1.00 0.00 WT2 O ATOM 30239 H1 TIP3 3407 77.758 36.512 54.510 1.00 0.00 WT2 H ATOM 30240 H2 TIP3 3407 76.263 36.632 54.306 1.00 0.00 WT2 H ATOM 30241 OH2 TIP3 3408 88.044 50.870 41.123 1.00 0.00 WT2 O ATOM 30242 H1 TIP3 3408 87.275 50.589 40.627 1.00 0.00 WT2 H ATOM 30243 H2 TIP3 3408 87.897 51.801 41.287 1.00 0.00 WT2 H ATOM 30244 OH2 TIP3 3409 60.702 53.763 52.870 1.00 0.00 WT2 O ATOM 30245 H1 TIP3 3409 60.851 52.934 52.414 1.00 0.00 WT2 H ATOM 30246 H2 TIP3 3409 59.802 54.001 52.649 1.00 0.00 WT2 H ATOM 30247 OH2 TIP3 3411 24.493 7.332 62.233 1.00 0.00 WT2 O ATOM 30248 H1 TIP3 3411 24.532 6.553 61.679 1.00 0.00 WT2 H ATOM 30249 H2 TIP3 3411 24.365 8.056 61.620 1.00 0.00 WT2 H ATOM 30250 OH2 TIP3 3422 82.433 48.138 -12.114 1.00 0.00 WT2 O ATOM 30251 H1 TIP3 3422 82.773 47.298 -11.806 1.00 0.00 WT2 H ATOM 30252 H2 TIP3 3422 82.785 48.230 -12.999 1.00 0.00 WT2 H ATOM 30253 OH2 TIP3 3424 50.910 37.169 -11.703 1.00 0.00 WT2 O ATOM 30254 H1 TIP3 3424 51.445 36.534 -11.226 1.00 0.00 WT2 H ATOM 30255 H2 TIP3 3424 50.021 37.024 -11.381 1.00 0.00 WT2 H ATOM 30256 OH2 TIP3 3426 76.109 5.488 55.525 1.00 0.00 WT2 O ATOM 30257 H1 TIP3 3426 76.988 5.357 55.880 1.00 0.00 WT2 H ATOM 30258 H2 TIP3 3426 76.248 5.976 54.713 1.00 0.00 WT2 H ATOM 30259 OH2 TIP3 3427 87.280 35.833 -2.568 1.00 0.00 WT2 O ATOM 30260 H1 TIP3 3427 87.498 36.757 -2.445 1.00 0.00 WT2 H ATOM 30261 H2 TIP3 3427 88.116 35.414 -2.771 1.00 0.00 WT2 H ATOM 30262 OH2 TIP3 3428 86.947 20.823 57.728 1.00 0.00 WT2 O ATOM 30263 H1 TIP3 3428 87.388 21.665 57.618 1.00 0.00 WT2 H ATOM 30264 H2 TIP3 3428 86.182 20.876 57.156 1.00 0.00 WT2 H ATOM 30265 OH2 TIP3 3429 86.348 91.184 -18.160 1.00 0.00 WT2 O ATOM 30266 H1 TIP3 3429 86.630 91.277 -19.070 1.00 0.00 WT2 H ATOM 30267 H2 TIP3 3429 86.651 90.313 -17.902 1.00 0.00 WT2 H ATOM 30268 OH2 TIP3 3430 35.592 57.186 38.778 1.00 0.00 WT2 O ATOM 30269 H1 TIP3 3430 36.491 57.132 39.104 1.00 0.00 WT2 H ATOM 30270 H2 TIP3 3430 35.672 57.601 37.920 1.00 0.00 WT2 H ATOM 30271 OH2 TIP3 3431 86.865 49.793 0.078 1.00 0.00 WT2 O ATOM 30272 H1 TIP3 3431 86.459 50.617 -0.190 1.00 0.00 WT2 H ATOM 30273 H2 TIP3 3431 86.599 49.680 0.991 1.00 0.00 WT2 H ATOM 30274 OH2 TIP3 3442 65.817 47.154 -9.100 1.00 0.00 WT2 O ATOM 30275 H1 TIP3 3442 66.106 47.048 -8.193 1.00 0.00 WT2 H ATOM 30276 H2 TIP3 3442 65.903 48.091 -9.272 1.00 0.00 WT2 H ATOM 30277 OH2 TIP3 3444 71.455 26.690 44.596 1.00 0.00 WT2 O ATOM 30278 H1 TIP3 3444 71.212 27.368 43.965 1.00 0.00 WT2 H ATOM 30279 H2 TIP3 3444 71.398 25.872 44.103 1.00 0.00 WT2 H ATOM 30280 OH2 TIP3 3446 39.711 17.598 -19.348 1.00 0.00 WT2 O ATOM 30281 H1 TIP3 3446 40.497 17.057 -19.280 1.00 0.00 WT2 H ATOM 30282 H2 TIP3 3446 39.819 18.264 -18.669 1.00 0.00 WT2 H ATOM 30283 OH2 TIP3 3447 87.702 4.846 41.201 1.00 0.00 WT2 O ATOM 30284 H1 TIP3 3447 87.111 5.455 41.643 1.00 0.00 WT2 H ATOM 30285 H2 TIP3 3447 87.577 4.015 41.659 1.00 0.00 WT2 H ATOM 30286 OH2 TIP3 3449 55.675 67.399 44.369 1.00 0.00 WT2 O ATOM 30287 H1 TIP3 3449 55.826 68.134 44.963 1.00 0.00 WT2 H ATOM 30288 H2 TIP3 3449 55.151 66.782 44.878 1.00 0.00 WT2 H ATOM 30289 OH2 TIP3 3450 31.388 48.766 -17.599 1.00 0.00 WT2 O ATOM 30290 H1 TIP3 3450 31.289 48.352 -16.742 1.00 0.00 WT2 H ATOM 30291 H2 TIP3 3450 31.980 49.503 -17.443 1.00 0.00 WT2 H ATOM 30292 OH2 TIP3 3465 36.520 34.326 62.227 1.00 0.00 WT2 O ATOM 30293 H1 TIP3 3465 37.360 34.781 62.163 1.00 0.00 WT2 H ATOM 30294 H2 TIP3 3465 36.663 33.492 61.778 1.00 0.00 WT2 H ATOM 30295 OH2 TIP3 3466 26.624 59.249 21.889 1.00 0.00 WT2 O ATOM 30296 H1 TIP3 3466 26.181 59.477 21.072 1.00 0.00 WT2 H ATOM 30297 H2 TIP3 3466 26.875 60.090 22.270 1.00 0.00 WT2 H ATOM 30298 OH2 TIP3 3467 73.037 9.745 45.834 1.00 0.00 WT2 O ATOM 30299 H1 TIP3 3467 73.588 10.254 46.429 1.00 0.00 WT2 H ATOM 30300 H2 TIP3 3467 73.352 8.846 45.925 1.00 0.00 WT2 H ATOM 30301 OH2 TIP3 3470 32.623 36.294 35.284 1.00 0.00 WT2 O ATOM 30302 H1 TIP3 3470 33.049 36.262 34.428 1.00 0.00 WT2 H ATOM 30303 H2 TIP3 3470 31.687 36.248 35.088 1.00 0.00 WT2 H ATOM 30304 OH2 TIP3 3471 37.158 91.916 42.506 1.00 0.00 WT2 O ATOM 30305 H1 TIP3 3471 37.376 92.162 41.607 1.00 0.00 WT2 H ATOM 30306 H2 TIP3 3471 38.000 91.695 42.905 1.00 0.00 WT2 H ATOM 30307 OH2 TIP3 3472 48.429 89.435 -2.836 1.00 0.00 WT2 O ATOM 30308 H1 TIP3 3472 48.255 88.786 -3.517 1.00 0.00 WT2 H ATOM 30309 H2 TIP3 3472 48.449 88.930 -2.023 1.00 0.00 WT2 H ATOM 30310 OH2 TIP3 3473 27.309 42.018 15.902 1.00 0.00 WT2 O ATOM 30311 H1 TIP3 3473 27.254 42.927 16.198 1.00 0.00 WT2 H ATOM 30312 H2 TIP3 3473 28.232 41.788 16.004 1.00 0.00 WT2 H ATOM 30313 OH2 TIP3 3484 70.921 72.177 59.906 1.00 0.00 WT2 O ATOM 30314 H1 TIP3 3484 70.609 71.668 59.157 1.00 0.00 WT2 H ATOM 30315 H2 TIP3 3484 71.875 72.158 59.829 1.00 0.00 WT2 H ATOM 30316 OH2 TIP3 3486 36.780 31.591 48.583 1.00 0.00 WT2 O ATOM 30317 H1 TIP3 3486 36.874 30.957 49.294 1.00 0.00 WT2 H ATOM 30318 H2 TIP3 3486 37.678 31.820 48.344 1.00 0.00 WT2 H ATOM 30319 OH2 TIP3 3488 35.789 54.448 28.662 1.00 0.00 WT2 O ATOM 30320 H1 TIP3 3488 35.953 55.383 28.532 1.00 0.00 WT2 H ATOM 30321 H2 TIP3 3488 35.906 54.061 27.795 1.00 0.00 WT2 H ATOM 30322 OH2 TIP3 3489 60.915 56.709 -16.941 1.00 0.00 WT2 O ATOM 30323 H1 TIP3 3489 61.047 57.620 -16.678 1.00 0.00 WT2 H ATOM 30324 H2 TIP3 3489 60.895 56.222 -16.118 1.00 0.00 WT2 H ATOM 30325 OH2 TIP3 3490 29.481 74.757 -9.514 1.00 0.00 WT2 O ATOM 30326 H1 TIP3 3490 30.062 75.447 -9.831 1.00 0.00 WT2 H ATOM 30327 H2 TIP3 3490 30.005 73.958 -9.568 1.00 0.00 WT2 H ATOM 30328 OH2 TIP3 3494 36.083 34.827 50.375 1.00 0.00 WT2 O ATOM 30329 H1 TIP3 3494 36.566 35.627 50.170 1.00 0.00 WT2 H ATOM 30330 H2 TIP3 3494 36.467 34.161 49.805 1.00 0.00 WT2 H ATOM 30331 OH2 TIP3 3495 64.365 23.051 -16.512 1.00 0.00 WT2 O ATOM 30332 H1 TIP3 3495 65.208 22.883 -16.932 1.00 0.00 WT2 H ATOM 30333 H2 TIP3 3495 64.174 23.967 -16.715 1.00 0.00 WT2 H ATOM 30334 OH2 TIP3 3508 32.412 56.077 33.090 1.00 0.00 WT2 O ATOM 30335 H1 TIP3 3508 32.785 56.953 33.192 1.00 0.00 WT2 H ATOM 30336 H2 TIP3 3508 33.172 55.499 33.028 1.00 0.00 WT2 H ATOM 30337 OH2 TIP3 3510 55.744 43.733 52.077 1.00 0.00 WT2 O ATOM 30338 H1 TIP3 3510 56.107 44.207 51.329 1.00 0.00 WT2 H ATOM 30339 H2 TIP3 3510 55.046 44.299 52.405 1.00 0.00 WT2 H ATOM 30340 OH2 TIP3 3511 28.744 70.376 26.249 1.00 0.00 WT2 O ATOM 30341 H1 TIP3 3511 28.378 71.173 26.633 1.00 0.00 WT2 H ATOM 30342 H2 TIP3 3511 28.759 69.747 26.970 1.00 0.00 WT2 H ATOM 30343 OH2 TIP3 3512 88.060 42.961 61.119 1.00 0.00 WT2 O ATOM 30344 H1 TIP3 3512 88.911 43.016 61.554 1.00 0.00 WT2 H ATOM 30345 H2 TIP3 3512 88.257 42.611 60.250 1.00 0.00 WT2 H ATOM 30346 OH2 TIP3 3513 24.147 9.470 -17.649 1.00 0.00 WT2 O ATOM 30347 H1 TIP3 3513 24.296 8.640 -18.103 1.00 0.00 WT2 H ATOM 30348 H2 TIP3 3513 23.727 9.220 -16.826 1.00 0.00 WT2 H ATOM 30349 OH2 TIP3 3514 51.093 80.554 19.782 1.00 0.00 WT2 O ATOM 30350 H1 TIP3 3514 50.173 80.321 19.906 1.00 0.00 WT2 H ATOM 30351 H2 TIP3 3514 51.196 81.381 20.254 1.00 0.00 WT2 H ATOM 30352 OH2 TIP3 3516 58.437 40.324 66.071 1.00 0.00 WT2 O ATOM 30353 H1 TIP3 3516 58.368 40.720 66.940 1.00 0.00 WT2 H ATOM 30354 H2 TIP3 3516 57.531 40.232 65.777 1.00 0.00 WT2 H ATOM 30355 OH2 TIP3 3526 53.066 33.306 -8.298 1.00 0.00 WT2 O ATOM 30356 H1 TIP3 3526 53.997 33.142 -8.449 1.00 0.00 WT2 H ATOM 30357 H2 TIP3 3526 52.908 32.991 -7.408 1.00 0.00 WT2 H ATOM 30358 OH2 TIP3 3527 71.890 93.292 49.815 1.00 0.00 WT2 O ATOM 30359 H1 TIP3 3527 72.498 92.553 49.826 1.00 0.00 WT2 H ATOM 30360 H2 TIP3 3527 71.424 93.232 50.649 1.00 0.00 WT2 H ATOM 30361 OH2 TIP3 3530 36.810 3.949 -8.053 1.00 0.00 WT2 O ATOM 30362 H1 TIP3 3530 37.401 4.700 -8.121 1.00 0.00 WT2 H ATOM 30363 H2 TIP3 3530 37.220 3.271 -8.589 1.00 0.00 WT2 H ATOM 30364 OH2 TIP3 3531 27.750 25.280 3.245 1.00 0.00 WT2 O ATOM 30365 H1 TIP3 3531 27.217 25.730 3.901 1.00 0.00 WT2 H ATOM 30366 H2 TIP3 3531 27.503 25.687 2.414 1.00 0.00 WT2 H ATOM 30367 OH2 TIP3 3533 48.467 71.080 59.473 1.00 0.00 WT2 O ATOM 30368 H1 TIP3 3533 47.707 70.528 59.660 1.00 0.00 WT2 H ATOM 30369 H2 TIP3 3533 49.205 70.610 59.859 1.00 0.00 WT2 H ATOM 30370 OH2 TIP3 3534 61.757 0.162 4.612 1.00 0.00 WT2 O ATOM 30371 H1 TIP3 3534 60.999 0.747 4.595 1.00 0.00 WT2 H ATOM 30372 H2 TIP3 3534 62.513 0.747 4.590 1.00 0.00 WT2 H ATOM 30373 OH2 TIP3 3535 24.735 58.672 60.734 1.00 0.00 WT2 O ATOM 30374 H1 TIP3 3535 24.195 58.734 59.946 1.00 0.00 WT2 H ATOM 30375 H2 TIP3 3535 25.548 59.122 60.504 1.00 0.00 WT2 H ATOM 30376 OH2 TIP3 3536 55.734 78.015 42.718 1.00 0.00 WT2 O ATOM 30377 H1 TIP3 3536 54.796 77.969 42.901 1.00 0.00 WT2 H ATOM 30378 H2 TIP3 3536 55.790 78.408 41.847 1.00 0.00 WT2 H ATOM 30379 OH2 TIP3 3545 88.848 49.069 -1.685 1.00 0.00 WT2 O ATOM 30380 H1 TIP3 3545 88.205 49.340 -1.029 1.00 0.00 WT2 H ATOM 30381 H2 TIP3 3545 89.474 48.531 -1.200 1.00 0.00 WT2 H ATOM 30382 OH2 TIP3 3548 55.197 76.108 55.306 1.00 0.00 WT2 O ATOM 30383 H1 TIP3 3548 54.862 75.445 55.910 1.00 0.00 WT2 H ATOM 30384 H2 TIP3 3548 55.355 75.631 54.491 1.00 0.00 WT2 H ATOM 30385 OH2 TIP3 3549 77.843 80.136 5.355 1.00 0.00 WT2 O ATOM 30386 H1 TIP3 3549 76.912 80.313 5.489 1.00 0.00 WT2 H ATOM 30387 H2 TIP3 3549 78.250 80.344 6.195 1.00 0.00 WT2 H ATOM 30388 OH2 TIP3 3550 47.819 30.888 62.493 1.00 0.00 WT2 O ATOM 30389 H1 TIP3 3550 47.696 30.075 62.003 1.00 0.00 WT2 H ATOM 30390 H2 TIP3 3550 46.937 31.245 62.592 1.00 0.00 WT2 H ATOM 30391 OH2 TIP3 3551 40.953 92.748 53.804 1.00 0.00 WT2 O ATOM 30392 H1 TIP3 3551 40.379 93.129 53.140 1.00 0.00 WT2 H ATOM 30393 H2 TIP3 3551 40.676 91.833 53.864 1.00 0.00 WT2 H ATOM 30394 OH2 TIP3 3554 89.776 35.755 -1.372 1.00 0.00 WT2 O ATOM 30395 H1 TIP3 3554 90.202 36.429 -0.842 1.00 0.00 WT2 H ATOM 30396 H2 TIP3 3554 89.679 35.010 -0.779 1.00 0.00 WT2 H ATOM 30397 OH2 TIP3 3555 63.809 78.419 13.177 1.00 0.00 WT2 O ATOM 30398 H1 TIP3 3555 63.245 77.695 12.905 1.00 0.00 WT2 H ATOM 30399 H2 TIP3 3555 63.804 78.380 14.133 1.00 0.00 WT2 H ATOM 30400 OH2 TIP3 3559 62.635 91.239 14.101 1.00 0.00 WT2 O ATOM 30401 H1 TIP3 3559 62.371 91.070 13.196 1.00 0.00 WT2 H ATOM 30402 H2 TIP3 3559 62.958 90.395 14.418 1.00 0.00 WT2 H ATOM 30403 OH2 TIP3 3569 36.903 35.961 45.292 1.00 0.00 WT2 O ATOM 30404 H1 TIP3 3569 36.036 35.935 45.697 1.00 0.00 WT2 H ATOM 30405 H2 TIP3 3569 36.774 36.447 44.478 1.00 0.00 WT2 H ATOM 30406 OH2 TIP3 3570 34.470 69.820 32.657 1.00 0.00 WT2 O ATOM 30407 H1 TIP3 3570 35.167 69.363 32.187 1.00 0.00 WT2 H ATOM 30408 H2 TIP3 3570 34.784 70.721 32.737 1.00 0.00 WT2 H ATOM 30409 OH2 TIP3 3572 74.874 94.214 46.008 1.00 0.00 WT2 O ATOM 30410 H1 TIP3 3572 74.224 93.674 45.558 1.00 0.00 WT2 H ATOM 30411 H2 TIP3 3572 74.373 94.692 46.668 1.00 0.00 WT2 H ATOM 30412 OH2 TIP3 3573 25.488 47.781 47.605 1.00 0.00 WT2 O ATOM 30413 H1 TIP3 3573 25.937 47.178 48.198 1.00 0.00 WT2 H ATOM 30414 H2 TIP3 3573 25.649 48.648 47.978 1.00 0.00 WT2 H ATOM 30415 OH2 TIP3 3574 82.570 36.048 49.409 1.00 0.00 WT2 O ATOM 30416 H1 TIP3 3574 83.260 36.152 50.064 1.00 0.00 WT2 H ATOM 30417 H2 TIP3 3574 82.353 36.942 49.145 1.00 0.00 WT2 H ATOM 30418 OH2 TIP3 3575 30.224 20.509 63.083 1.00 0.00 WT2 O ATOM 30419 H1 TIP3 3575 30.515 21.404 63.257 1.00 0.00 WT2 H ATOM 30420 H2 TIP3 3575 30.699 20.251 62.293 1.00 0.00 WT2 H ATOM 30421 OH2 TIP3 3591 70.536 17.188 -10.990 1.00 0.00 WT2 O ATOM 30422 H1 TIP3 3591 70.089 16.354 -10.842 1.00 0.00 WT2 H ATOM 30423 H2 TIP3 3591 70.220 17.482 -11.844 1.00 0.00 WT2 H ATOM 30424 OH2 TIP3 3593 31.072 26.981 39.486 1.00 0.00 WT2 O ATOM 30425 H1 TIP3 3593 30.309 27.211 40.016 1.00 0.00 WT2 H ATOM 30426 H2 TIP3 3593 30.960 26.050 39.295 1.00 0.00 WT2 H ATOM 30427 OH2 TIP3 3594 32.883 55.000 14.405 1.00 0.00 WT2 O ATOM 30428 H1 TIP3 3594 33.617 54.893 13.801 1.00 0.00 WT2 H ATOM 30429 H2 TIP3 3594 33.245 55.502 15.136 1.00 0.00 WT2 H ATOM 30430 OH2 TIP3 3595 28.708 36.495 -12.636 1.00 0.00 WT2 O ATOM 30431 H1 TIP3 3595 28.885 37.370 -12.981 1.00 0.00 WT2 H ATOM 30432 H2 TIP3 3595 29.374 36.364 -11.961 1.00 0.00 WT2 H ATOM 30433 OH2 TIP3 3596 83.262 32.604 21.862 1.00 0.00 WT2 O ATOM 30434 H1 TIP3 3596 83.939 33.278 21.795 1.00 0.00 WT2 H ATOM 30435 H2 TIP3 3596 83.135 32.484 22.803 1.00 0.00 WT2 H ATOM 30436 OH2 TIP3 3597 56.282 4.998 42.080 1.00 0.00 WT2 O ATOM 30437 H1 TIP3 3597 56.351 5.861 42.489 1.00 0.00 WT2 H ATOM 30438 H2 TIP3 3597 56.259 4.385 42.814 1.00 0.00 WT2 H ATOM 30439 OH2 TIP3 3599 41.020 53.366 14.492 1.00 0.00 WT2 O ATOM 30440 H1 TIP3 3599 41.569 52.959 15.163 1.00 0.00 WT2 H ATOM 30441 H2 TIP3 3599 40.726 54.186 14.888 1.00 0.00 WT2 H ATOM 30442 OH2 TIP3 3612 71.865 20.256 64.081 1.00 0.00 WT2 O ATOM 30443 H1 TIP3 3612 72.345 20.870 64.636 1.00 0.00 WT2 H ATOM 30444 H2 TIP3 3612 71.960 19.411 64.520 1.00 0.00 WT2 H ATOM 30445 OH2 TIP3 3614 43.805 44.257 -18.344 1.00 0.00 WT2 O ATOM 30446 H1 TIP3 3614 44.386 44.998 -18.176 1.00 0.00 WT2 H ATOM 30447 H2 TIP3 3614 44.115 43.570 -17.754 1.00 0.00 WT2 H ATOM 30448 OH2 TIP3 3615 66.644 92.459 63.100 1.00 0.00 WT2 O ATOM 30449 H1 TIP3 3615 66.635 91.700 62.517 1.00 0.00 WT2 H ATOM 30450 H2 TIP3 3615 66.657 92.086 63.981 1.00 0.00 WT2 H ATOM 30451 OH2 TIP3 3619 51.493 92.539 39.497 1.00 0.00 WT2 O ATOM 30452 H1 TIP3 3619 50.543 92.429 39.523 1.00 0.00 WT2 H ATOM 30453 H2 TIP3 3619 51.795 91.868 38.885 1.00 0.00 WT2 H ATOM 30454 OH2 TIP3 3623 50.618 71.857 3.447 1.00 0.00 WT2 O ATOM 30455 H1 TIP3 3623 51.470 72.275 3.322 1.00 0.00 WT2 H ATOM 30456 H2 TIP3 3623 50.819 71.022 3.868 1.00 0.00 WT2 H ATOM 30457 OH2 TIP3 3633 63.026 26.707 55.081 1.00 0.00 WT2 O ATOM 30458 H1 TIP3 3633 63.414 25.999 55.596 1.00 0.00 WT2 H ATOM 30459 H2 TIP3 3633 62.162 26.377 54.832 1.00 0.00 WT2 H ATOM 30460 OH2 TIP3 3634 50.752 7.322 60.357 1.00 0.00 WT2 O ATOM 30461 H1 TIP3 3634 51.527 7.507 59.827 1.00 0.00 WT2 H ATOM 30462 H2 TIP3 3634 50.975 6.525 60.839 1.00 0.00 WT2 H ATOM 30463 OH2 TIP3 3636 60.870 39.204 25.256 1.00 0.00 WT2 O ATOM 30464 H1 TIP3 3636 60.862 39.603 26.125 1.00 0.00 WT2 H ATOM 30465 H2 TIP3 3636 60.767 39.939 24.652 1.00 0.00 WT2 H ATOM 30466 OH2 TIP3 3638 56.892 53.984 64.293 1.00 0.00 WT2 O ATOM 30467 H1 TIP3 3638 56.632 54.151 63.388 1.00 0.00 WT2 H ATOM 30468 H2 TIP3 3638 56.240 54.446 64.820 1.00 0.00 WT2 H ATOM 30469 OH2 TIP3 3639 50.015 19.124 39.560 1.00 0.00 WT2 O ATOM 30470 H1 TIP3 3639 49.179 19.546 39.364 1.00 0.00 WT2 H ATOM 30471 H2 TIP3 3639 50.519 19.200 38.749 1.00 0.00 WT2 H ATOM 30472 OH2 TIP3 3641 49.141 80.131 3.557 1.00 0.00 WT2 O ATOM 30473 H1 TIP3 3641 49.026 79.355 3.008 1.00 0.00 WT2 H ATOM 30474 H2 TIP3 3641 50.041 80.066 3.878 1.00 0.00 WT2 H ATOM 30475 OH2 TIP3 3650 77.739 1.891 43.083 1.00 0.00 WT2 O ATOM 30476 H1 TIP3 3650 77.416 2.790 43.014 1.00 0.00 WT2 H ATOM 30477 H2 TIP3 3650 77.044 1.356 42.700 1.00 0.00 WT2 H ATOM 30478 OH2 TIP3 3651 56.617 8.590 -14.576 1.00 0.00 WT2 O ATOM 30479 H1 TIP3 3651 57.059 8.651 -15.423 1.00 0.00 WT2 H ATOM 30480 H2 TIP3 3651 57.273 8.213 -13.990 1.00 0.00 WT2 H ATOM 30481 OH2 TIP3 3653 73.684 94.431 -17.150 1.00 0.00 WT2 O ATOM 30482 H1 TIP3 3653 74.433 94.856 -16.733 1.00 0.00 WT2 H ATOM 30483 H2 TIP3 3653 73.725 93.523 -16.849 1.00 0.00 WT2 H ATOM 30484 OH2 TIP3 3659 77.267 40.860 61.420 1.00 0.00 WT2 O ATOM 30485 H1 TIP3 3659 77.904 41.256 60.825 1.00 0.00 WT2 H ATOM 30486 H2 TIP3 3659 77.332 39.920 61.250 1.00 0.00 WT2 H ATOM 30487 OH2 TIP3 3660 23.081 84.539 -18.771 1.00 0.00 WT2 O ATOM 30488 H1 TIP3 3660 23.910 84.176 -18.461 1.00 0.00 WT2 H ATOM 30489 H2 TIP3 3660 22.534 83.773 -18.947 1.00 0.00 WT2 H ATOM 30490 OH2 TIP3 3661 72.186 31.512 -8.531 1.00 0.00 WT2 O ATOM 30491 H1 TIP3 3661 72.520 32.409 -8.544 1.00 0.00 WT2 H ATOM 30492 H2 TIP3 3661 72.424 31.180 -7.665 1.00 0.00 WT2 H ATOM 30493 OH2 TIP3 3662 73.729 78.730 26.700 1.00 0.00 WT2 O ATOM 30494 H1 TIP3 3662 73.712 78.174 27.478 1.00 0.00 WT2 H ATOM 30495 H2 TIP3 3662 72.843 79.086 26.640 1.00 0.00 WT2 H ATOM 30496 OH2 TIP3 3674 53.681 93.815 23.518 1.00 0.00 WT2 O ATOM 30497 H1 TIP3 3674 54.587 93.522 23.416 1.00 0.00 WT2 H ATOM 30498 H2 TIP3 3674 53.344 93.301 24.252 1.00 0.00 WT2 H ATOM 30499 OH2 TIP3 3675 75.383 33.837 53.049 1.00 0.00 WT2 O ATOM 30500 H1 TIP3 3675 76.034 33.614 52.385 1.00 0.00 WT2 H ATOM 30501 H2 TIP3 3675 74.840 33.053 53.127 1.00 0.00 WT2 H ATOM 30502 OH2 TIP3 3677 75.029 40.216 44.043 1.00 0.00 WT2 O ATOM 30503 H1 TIP3 3677 75.182 41.099 44.379 1.00 0.00 WT2 H ATOM 30504 H2 TIP3 3677 75.696 40.098 43.366 1.00 0.00 WT2 H ATOM 30505 OH2 TIP3 3681 70.756 35.051 -3.035 1.00 0.00 WT2 O ATOM 30506 H1 TIP3 3681 69.964 34.681 -2.644 1.00 0.00 WT2 H ATOM 30507 H2 TIP3 3681 70.802 34.654 -3.905 1.00 0.00 WT2 H ATOM 30508 OH2 TIP3 3693 55.204 8.392 17.706 1.00 0.00 WT2 O ATOM 30509 H1 TIP3 3693 55.419 8.642 16.807 1.00 0.00 WT2 H ATOM 30510 H2 TIP3 3693 55.611 9.069 18.247 1.00 0.00 WT2 H ATOM 30511 OH2 TIP3 3697 27.617 30.949 48.240 1.00 0.00 WT2 O ATOM 30512 H1 TIP3 3697 26.708 30.691 48.088 1.00 0.00 WT2 H ATOM 30513 H2 TIP3 3697 28.116 30.138 48.137 1.00 0.00 WT2 H ATOM 30514 OH2 TIP3 3698 69.754 56.281 16.696 1.00 0.00 WT2 O ATOM 30515 H1 TIP3 3698 68.985 56.847 16.623 1.00 0.00 WT2 H ATOM 30516 H2 TIP3 3698 69.652 55.645 15.989 1.00 0.00 WT2 H ATOM 30517 OH2 TIP3 3700 46.235 20.138 -4.822 1.00 0.00 WT2 O ATOM 30518 H1 TIP3 3700 45.404 19.892 -5.227 1.00 0.00 WT2 H ATOM 30519 H2 TIP3 3700 46.160 19.834 -3.917 1.00 0.00 WT2 H ATOM 30520 OH2 TIP3 3701 62.031 38.264 55.726 1.00 0.00 WT2 O ATOM 30521 H1 TIP3 3701 61.766 38.459 56.624 1.00 0.00 WT2 H ATOM 30522 H2 TIP3 3701 61.258 38.466 55.198 1.00 0.00 WT2 H ATOM 30523 OH2 TIP3 3702 45.295 43.865 46.651 1.00 0.00 WT2 O ATOM 30524 H1 TIP3 3702 45.128 43.299 45.897 1.00 0.00 WT2 H ATOM 30525 H2 TIP3 3702 45.920 44.514 46.330 1.00 0.00 WT2 H ATOM 30526 OH2 TIP3 3703 29.082 37.032 50.750 1.00 0.00 WT2 O ATOM 30527 H1 TIP3 3703 29.840 37.326 51.254 1.00 0.00 WT2 H ATOM 30528 H2 TIP3 3703 29.267 36.115 50.549 1.00 0.00 WT2 H ATOM 30529 OH2 TIP3 3705 38.078 91.459 56.981 1.00 0.00 WT2 O ATOM 30530 H1 TIP3 3705 37.759 91.233 57.855 1.00 0.00 WT2 H ATOM 30531 H2 TIP3 3705 39.026 91.340 57.033 1.00 0.00 WT2 H ATOM 30532 OH2 TIP3 3708 36.669 89.465 -10.154 1.00 0.00 WT2 O ATOM 30533 H1 TIP3 3708 36.136 90.258 -10.093 1.00 0.00 WT2 H ATOM 30534 H2 TIP3 3708 37.285 89.644 -10.864 1.00 0.00 WT2 H ATOM 30535 OH2 TIP3 3718 62.014 13.765 -8.766 1.00 0.00 WT2 O ATOM 30536 H1 TIP3 3718 61.689 14.509 -8.259 1.00 0.00 WT2 H ATOM 30537 H2 TIP3 3718 61.227 13.363 -9.133 1.00 0.00 WT2 H ATOM 30538 OH2 TIP3 3719 33.502 6.630 66.746 1.00 0.00 WT2 O ATOM 30539 H1 TIP3 3719 32.609 6.938 66.590 1.00 0.00 WT2 H ATOM 30540 H2 TIP3 3719 33.456 6.178 67.588 1.00 0.00 WT2 H ATOM 30541 OH2 TIP3 3720 75.598 49.956 -9.441 1.00 0.00 WT2 O ATOM 30542 H1 TIP3 3720 75.005 49.651 -10.127 1.00 0.00 WT2 H ATOM 30543 H2 TIP3 3720 75.094 50.615 -8.963 1.00 0.00 WT2 H ATOM 30544 OH2 TIP3 3721 54.270 14.194 60.941 1.00 0.00 WT2 O ATOM 30545 H1 TIP3 3721 54.840 13.695 60.356 1.00 0.00 WT2 H ATOM 30546 H2 TIP3 3721 54.764 14.991 61.134 1.00 0.00 WT2 H ATOM 30547 OH2 TIP3 3722 33.201 75.491 66.162 1.00 0.00 WT2 O ATOM 30548 H1 TIP3 3722 32.473 76.043 65.877 1.00 0.00 WT2 H ATOM 30549 H2 TIP3 3722 33.480 75.032 65.369 1.00 0.00 WT2 H ATOM 30550 OH2 TIP3 3723 56.728 80.016 -18.073 1.00 0.00 WT2 O ATOM 30551 H1 TIP3 3723 56.336 79.924 -17.205 1.00 0.00 WT2 H ATOM 30552 H2 TIP3 3723 57.381 79.318 -18.117 1.00 0.00 WT2 H ATOM 30553 OH2 TIP3 3727 26.172 68.757 -10.105 1.00 0.00 WT2 O ATOM 30554 H1 TIP3 3727 26.437 68.080 -9.482 1.00 0.00 WT2 H ATOM 30555 H2 TIP3 3727 25.571 69.315 -9.611 1.00 0.00 WT2 H ATOM 30556 OH2 TIP3 3737 86.056 9.394 -8.018 1.00 0.00 WT2 O ATOM 30557 H1 TIP3 3737 85.594 10.132 -8.415 1.00 0.00 WT2 H ATOM 30558 H2 TIP3 3737 86.978 9.650 -8.033 1.00 0.00 WT2 H ATOM 30559 OH2 TIP3 3740 37.201 44.214 32.831 1.00 0.00 WT2 O ATOM 30560 H1 TIP3 3740 37.937 43.698 33.162 1.00 0.00 WT2 H ATOM 30561 H2 TIP3 3740 36.718 43.608 32.269 1.00 0.00 WT2 H ATOM 30562 OH2 TIP3 3743 89.107 40.807 27.780 1.00 0.00 WT2 O ATOM 30563 H1 TIP3 3743 89.554 41.098 26.984 1.00 0.00 WT2 H ATOM 30564 H2 TIP3 3743 89.500 41.329 28.480 1.00 0.00 WT2 H ATOM 30565 OH2 TIP3 3757 23.341 15.746 48.975 1.00 0.00 WT2 O ATOM 30566 H1 TIP3 3757 23.798 15.779 48.135 1.00 0.00 WT2 H ATOM 30567 H2 TIP3 3757 24.037 15.631 49.622 1.00 0.00 WT2 H ATOM 30568 OH2 TIP3 3758 86.151 18.107 42.291 1.00 0.00 WT2 O ATOM 30569 H1 TIP3 3758 86.118 18.937 42.766 1.00 0.00 WT2 H ATOM 30570 H2 TIP3 3758 85.639 17.503 42.828 1.00 0.00 WT2 H ATOM 30571 OH2 TIP3 3761 74.133 38.197 -10.403 1.00 0.00 WT2 O ATOM 30572 H1 TIP3 3761 73.652 37.798 -9.677 1.00 0.00 WT2 H ATOM 30573 H2 TIP3 3761 74.413 39.048 -10.066 1.00 0.00 WT2 H ATOM 30574 OH2 TIP3 3762 21.327 55.071 59.104 1.00 0.00 WT2 O ATOM 30575 H1 TIP3 3762 20.711 55.747 58.824 1.00 0.00 WT2 H ATOM 30576 H2 TIP3 3762 21.664 55.386 59.943 1.00 0.00 WT2 H ATOM 30577 OH2 TIP3 3763 35.264 37.531 28.912 1.00 0.00 WT2 O ATOM 30578 H1 TIP3 3763 35.876 37.029 28.373 1.00 0.00 WT2 H ATOM 30579 H2 TIP3 3763 34.685 37.959 28.281 1.00 0.00 WT2 H ATOM 30580 OH2 TIP3 3764 49.254 43.549 -17.393 1.00 0.00 WT2 O ATOM 30581 H1 TIP3 3764 48.715 44.222 -16.976 1.00 0.00 WT2 H ATOM 30582 H2 TIP3 3764 49.725 44.013 -18.085 1.00 0.00 WT2 H ATOM 30583 OH2 TIP3 3765 69.068 51.749 -13.255 1.00 0.00 WT2 O ATOM 30584 H1 TIP3 3765 69.120 50.802 -13.388 1.00 0.00 WT2 H ATOM 30585 H2 TIP3 3765 68.130 51.934 -13.210 1.00 0.00 WT2 H ATOM 30586 OH2 TIP3 3770 49.668 27.346 -18.747 1.00 0.00 WT2 O ATOM 30587 H1 TIP3 3770 49.245 28.178 -18.958 1.00 0.00 WT2 H ATOM 30588 H2 TIP3 3770 50.595 27.566 -18.650 1.00 0.00 WT2 H ATOM 30589 OH2 TIP3 3776 60.599 56.405 34.753 1.00 0.00 WT2 O ATOM 30590 H1 TIP3 3776 60.362 57.112 34.152 1.00 0.00 WT2 H ATOM 30591 H2 TIP3 3776 59.828 55.838 34.772 1.00 0.00 WT2 H ATOM 30592 OH2 TIP3 3779 32.175 38.253 65.950 1.00 0.00 WT2 O ATOM 30593 H1 TIP3 3779 32.967 38.790 65.988 1.00 0.00 WT2 H ATOM 30594 H2 TIP3 3779 31.701 38.468 66.753 1.00 0.00 WT2 H ATOM 30595 OH2 TIP3 3783 38.901 18.042 23.171 1.00 0.00 WT2 O ATOM 30596 H1 TIP3 3783 39.521 17.913 22.453 1.00 0.00 WT2 H ATOM 30597 H2 TIP3 3783 39.452 18.196 23.938 1.00 0.00 WT2 H ATOM 30598 OH2 TIP3 3784 21.079 52.560 13.800 1.00 0.00 WT2 O ATOM 30599 H1 TIP3 3784 21.885 52.470 14.309 1.00 0.00 WT2 H ATOM 30600 H2 TIP3 3784 21.118 53.448 13.444 1.00 0.00 WT2 H ATOM 30601 OH2 TIP3 3785 83.320 6.916 51.942 1.00 0.00 WT2 O ATOM 30602 H1 TIP3 3785 84.170 6.484 51.852 1.00 0.00 WT2 H ATOM 30603 H2 TIP3 3785 82.717 6.368 51.439 1.00 0.00 WT2 H ATOM 30604 OH2 TIP3 3786 50.866 86.097 -17.242 1.00 0.00 WT2 O ATOM 30605 H1 TIP3 3786 50.278 85.414 -16.922 1.00 0.00 WT2 H ATOM 30606 H2 TIP3 3786 51.625 86.052 -16.660 1.00 0.00 WT2 H ATOM 30607 OH2 TIP3 3798 37.567 36.031 41.005 1.00 0.00 WT2 O ATOM 30608 H1 TIP3 3798 36.795 35.498 41.197 1.00 0.00 WT2 H ATOM 30609 H2 TIP3 3798 37.267 36.659 40.348 1.00 0.00 WT2 H ATOM 30610 OH2 TIP3 3800 43.348 54.280 -3.194 1.00 0.00 WT2 O ATOM 30611 H1 TIP3 3800 42.473 53.980 -2.948 1.00 0.00 WT2 H ATOM 30612 H2 TIP3 3800 43.547 54.976 -2.567 1.00 0.00 WT2 H ATOM 30613 OH2 TIP3 3801 46.447 36.640 47.429 1.00 0.00 WT2 O ATOM 30614 H1 TIP3 3801 46.525 37.161 46.629 1.00 0.00 WT2 H ATOM 30615 H2 TIP3 3801 46.841 35.797 47.205 1.00 0.00 WT2 H ATOM 30616 OH2 TIP3 3802 33.152 28.884 55.875 1.00 0.00 WT2 O ATOM 30617 H1 TIP3 3802 32.634 29.679 56.000 1.00 0.00 WT2 H ATOM 30618 H2 TIP3 3802 34.033 29.201 55.675 1.00 0.00 WT2 H ATOM 30619 OH2 TIP3 3804 55.451 22.984 -10.027 1.00 0.00 WT2 O ATOM 30620 H1 TIP3 3804 55.937 22.782 -9.228 1.00 0.00 WT2 H ATOM 30621 H2 TIP3 3804 54.678 22.420 -9.988 1.00 0.00 WT2 H ATOM 30622 OH2 TIP3 3805 49.001 90.102 61.089 1.00 0.00 WT2 O ATOM 30623 H1 TIP3 3805 49.768 89.542 61.208 1.00 0.00 WT2 H ATOM 30624 H2 TIP3 3805 48.427 89.603 60.508 1.00 0.00 WT2 H ATOM 30625 OH2 TIP3 3806 34.411 86.817 45.180 1.00 0.00 WT2 O ATOM 30626 H1 TIP3 3806 33.548 86.709 45.579 1.00 0.00 WT2 H ATOM 30627 H2 TIP3 3806 34.432 86.170 44.474 1.00 0.00 WT2 H ATOM 30628 OH2 TIP3 3807 81.673 92.141 1.281 1.00 0.00 WT2 O ATOM 30629 H1 TIP3 3807 82.395 92.200 0.656 1.00 0.00 WT2 H ATOM 30630 H2 TIP3 3807 81.040 92.792 0.979 1.00 0.00 WT2 H ATOM 30631 OH2 TIP3 3808 79.566 59.292 -11.097 1.00 0.00 WT2 O ATOM 30632 H1 TIP3 3808 79.299 59.948 -10.453 1.00 0.00 WT2 H ATOM 30633 H2 TIP3 3808 79.080 58.504 -10.853 1.00 0.00 WT2 H ATOM 30634 OH2 TIP3 3809 74.622 73.063 47.251 1.00 0.00 WT2 O ATOM 30635 H1 TIP3 3809 74.641 73.829 47.825 1.00 0.00 WT2 H ATOM 30636 H2 TIP3 3809 73.765 73.104 46.826 1.00 0.00 WT2 H ATOM 30637 OH2 TIP3 3821 40.556 50.990 31.411 1.00 0.00 WT2 O ATOM 30638 H1 TIP3 3821 40.719 51.920 31.568 1.00 0.00 WT2 H ATOM 30639 H2 TIP3 3821 40.646 50.887 30.464 1.00 0.00 WT2 H ATOM 30640 OH2 TIP3 3823 25.481 44.979 31.538 1.00 0.00 WT2 O ATOM 30641 H1 TIP3 3823 26.061 45.572 32.016 1.00 0.00 WT2 H ATOM 30642 H2 TIP3 3823 25.534 45.274 30.628 1.00 0.00 WT2 H ATOM 30643 OH2 TIP3 3826 63.793 25.596 -16.900 1.00 0.00 WT2 O ATOM 30644 H1 TIP3 3826 63.919 26.484 -16.566 1.00 0.00 WT2 H ATOM 30645 H2 TIP3 3826 63.056 25.669 -17.506 1.00 0.00 WT2 H ATOM 30646 OH2 TIP3 3827 71.946 17.713 42.904 1.00 0.00 WT2 O ATOM 30647 H1 TIP3 3827 71.801 18.444 42.305 1.00 0.00 WT2 H ATOM 30648 H2 TIP3 3827 71.329 17.040 42.617 1.00 0.00 WT2 H ATOM 30649 OH2 TIP3 3828 26.635 20.974 39.756 1.00 0.00 WT2 O ATOM 30650 H1 TIP3 3828 27.309 20.310 39.901 1.00 0.00 WT2 H ATOM 30651 H2 TIP3 3828 27.085 21.807 39.899 1.00 0.00 WT2 H ATOM 30652 OH2 TIP3 3829 80.198 25.805 42.718 1.00 0.00 WT2 O ATOM 30653 H1 TIP3 3829 79.633 26.181 42.043 1.00 0.00 WT2 H ATOM 30654 H2 TIP3 3829 79.602 25.581 43.432 1.00 0.00 WT2 H ATOM 30655 OH2 TIP3 3845 32.410 30.950 19.401 1.00 0.00 WT2 O ATOM 30656 H1 TIP3 3845 32.347 30.300 20.101 1.00 0.00 WT2 H ATOM 30657 H2 TIP3 3845 33.012 30.561 18.767 1.00 0.00 WT2 H ATOM 30658 OH2 TIP3 3846 50.507 0.965 6.772 1.00 0.00 WT2 O ATOM 30659 H1 TIP3 3846 50.254 1.028 7.693 1.00 0.00 WT2 H ATOM 30660 H2 TIP3 3846 51.457 1.083 6.776 1.00 0.00 WT2 H ATOM 30661 OH2 TIP3 3847 26.677 41.567 -15.222 1.00 0.00 WT2 O ATOM 30662 H1 TIP3 3847 26.668 41.510 -14.267 1.00 0.00 WT2 H ATOM 30663 H2 TIP3 3847 26.034 42.246 -15.428 1.00 0.00 WT2 H ATOM 30664 OH2 TIP3 3848 78.831 63.854 -9.458 1.00 0.00 WT2 O ATOM 30665 H1 TIP3 3848 78.602 64.523 -8.813 1.00 0.00 WT2 H ATOM 30666 H2 TIP3 3848 77.988 63.530 -9.776 1.00 0.00 WT2 H ATOM 30667 OH2 TIP3 3849 33.143 39.522 12.647 1.00 0.00 WT2 O ATOM 30668 H1 TIP3 3849 33.779 39.019 12.138 1.00 0.00 WT2 H ATOM 30669 H2 TIP3 3849 33.592 40.343 12.848 1.00 0.00 WT2 H ATOM 30670 OH2 TIP3 3853 38.479 59.186 10.153 1.00 0.00 WT2 O ATOM 30671 H1 TIP3 3853 38.964 59.279 10.972 1.00 0.00 WT2 H ATOM 30672 H2 TIP3 3853 39.114 58.820 9.537 1.00 0.00 WT2 H ATOM 30673 OH2 TIP3 3863 38.610 52.867 -9.842 1.00 0.00 WT2 O ATOM 30674 H1 TIP3 3863 37.723 52.788 -10.193 1.00 0.00 WT2 H ATOM 30675 H2 TIP3 3863 38.722 53.803 -9.679 1.00 0.00 WT2 H ATOM 30676 OH2 TIP3 3867 35.233 11.916 -4.256 1.00 0.00 WT2 O ATOM 30677 H1 TIP3 3867 34.289 11.983 -4.399 1.00 0.00 WT2 H ATOM 30678 H2 TIP3 3867 35.489 11.115 -4.713 1.00 0.00 WT2 H ATOM 30679 OH2 TIP3 3868 36.972 16.935 41.987 1.00 0.00 WT2 O ATOM 30680 H1 TIP3 3868 36.939 17.451 41.181 1.00 0.00 WT2 H ATOM 30681 H2 TIP3 3868 37.504 17.459 42.586 1.00 0.00 WT2 H ATOM 30682 OH2 TIP3 3869 64.533 54.478 39.793 1.00 0.00 WT2 O ATOM 30683 H1 TIP3 3869 63.743 54.740 39.320 1.00 0.00 WT2 H ATOM 30684 H2 TIP3 3869 65.219 55.051 39.451 1.00 0.00 WT2 H ATOM 30685 OH2 TIP3 3873 28.357 93.483 22.894 1.00 0.00 WT2 O ATOM 30686 H1 TIP3 3873 28.199 94.139 23.573 1.00 0.00 WT2 H ATOM 30687 H2 TIP3 3873 28.799 92.767 23.350 1.00 0.00 WT2 H ATOM 30688 OH2 TIP3 3875 49.547 77.124 -11.892 1.00 0.00 WT2 O ATOM 30689 H1 TIP3 3875 49.075 76.927 -11.083 1.00 0.00 WT2 H ATOM 30690 H2 TIP3 3875 49.194 76.505 -12.531 1.00 0.00 WT2 H ATOM 30691 OH2 TIP3 3882 33.712 94.169 64.293 1.00 0.00 WT2 O ATOM 30692 H1 TIP3 3882 33.996 94.999 63.908 1.00 0.00 WT2 H ATOM 30693 H2 TIP3 3882 32.829 94.034 63.948 1.00 0.00 WT2 H ATOM 30694 OH2 TIP3 3886 22.878 74.367 48.438 1.00 0.00 WT2 O ATOM 30695 H1 TIP3 3886 22.431 74.800 47.710 1.00 0.00 WT2 H ATOM 30696 H2 TIP3 3886 23.444 73.719 48.021 1.00 0.00 WT2 H ATOM 30697 OH2 TIP3 3888 70.887 68.503 4.340 1.00 0.00 WT2 O ATOM 30698 H1 TIP3 3888 71.060 68.357 3.409 1.00 0.00 WT2 H ATOM 30699 H2 TIP3 3888 70.301 67.789 4.589 1.00 0.00 WT2 H ATOM 30700 OH2 TIP3 3889 58.715 60.156 -19.054 1.00 0.00 WT2 O ATOM 30701 H1 TIP3 3889 57.856 60.427 -19.377 1.00 0.00 WT2 H ATOM 30702 H2 TIP3 3889 58.617 60.132 -18.103 1.00 0.00 WT2 H ATOM 30703 OH2 TIP3 3891 38.369 71.555 51.625 1.00 0.00 WT2 O ATOM 30704 H1 TIP3 3891 37.635 70.978 51.413 1.00 0.00 WT2 H ATOM 30705 H2 TIP3 3891 39.001 70.987 52.066 1.00 0.00 WT2 H ATOM 30706 OH2 TIP3 3892 89.905 27.890 51.378 1.00 0.00 WT2 O ATOM 30707 H1 TIP3 3892 89.705 27.653 50.473 1.00 0.00 WT2 H ATOM 30708 H2 TIP3 3892 90.832 28.128 51.364 1.00 0.00 WT2 H ATOM 30709 OH2 TIP3 3907 83.660 68.886 52.715 1.00 0.00 WT2 O ATOM 30710 H1 TIP3 3907 83.721 69.764 53.092 1.00 0.00 WT2 H ATOM 30711 H2 TIP3 3907 84.410 68.415 53.079 1.00 0.00 WT2 H ATOM 30712 OH2 TIP3 3909 77.127 1.194 -8.688 1.00 0.00 WT2 O ATOM 30713 H1 TIP3 3909 76.857 1.444 -7.805 1.00 0.00 WT2 H ATOM 30714 H2 TIP3 3909 77.424 0.289 -8.601 1.00 0.00 WT2 H ATOM 30715 OH2 TIP3 3911 81.735 58.086 51.546 1.00 0.00 WT2 O ATOM 30716 H1 TIP3 3911 81.858 57.256 51.086 1.00 0.00 WT2 H ATOM 30717 H2 TIP3 3911 81.315 58.658 50.903 1.00 0.00 WT2 H ATOM 30718 OH2 TIP3 3912 78.197 40.695 -2.369 1.00 0.00 WT2 O ATOM 30719 H1 TIP3 3912 77.791 40.684 -3.235 1.00 0.00 WT2 H ATOM 30720 H2 TIP3 3912 78.322 41.624 -2.174 1.00 0.00 WT2 H ATOM 30721 OH2 TIP3 3925 49.418 48.644 0.432 1.00 0.00 WT2 O ATOM 30722 H1 TIP3 3925 49.798 49.485 0.685 1.00 0.00 WT2 H ATOM 30723 H2 TIP3 3925 49.866 48.002 0.983 1.00 0.00 WT2 H ATOM 30724 OH2 TIP3 3928 76.352 36.121 18.210 1.00 0.00 WT2 O ATOM 30725 H1 TIP3 3928 75.407 35.999 18.113 1.00 0.00 WT2 H ATOM 30726 H2 TIP3 3928 76.451 37.041 18.456 1.00 0.00 WT2 H ATOM 30727 OH2 TIP3 3929 47.408 34.020 36.790 1.00 0.00 WT2 O ATOM 30728 H1 TIP3 3929 47.638 33.937 37.715 1.00 0.00 WT2 H ATOM 30729 H2 TIP3 3929 47.775 34.864 36.526 1.00 0.00 WT2 H ATOM 30730 OH2 TIP3 3930 51.162 13.357 21.183 1.00 0.00 WT2 O ATOM 30731 H1 TIP3 3930 51.193 13.195 22.125 1.00 0.00 WT2 H ATOM 30732 H2 TIP3 3930 51.054 14.306 21.106 1.00 0.00 WT2 H ATOM 30733 OH2 TIP3 3931 22.819 24.882 62.037 1.00 0.00 WT2 O ATOM 30734 H1 TIP3 3931 22.489 24.148 62.555 1.00 0.00 WT2 H ATOM 30735 H2 TIP3 3931 22.035 25.276 61.653 1.00 0.00 WT2 H ATOM 30736 OH2 TIP3 3932 58.058 51.336 65.508 1.00 0.00 WT2 O ATOM 30737 H1 TIP3 3932 57.505 52.085 65.287 1.00 0.00 WT2 H ATOM 30738 H2 TIP3 3932 57.511 50.571 65.327 1.00 0.00 WT2 H ATOM 30739 OH2 TIP3 3933 72.581 10.839 -17.397 1.00 0.00 WT2 O ATOM 30740 H1 TIP3 3933 71.732 10.547 -17.730 1.00 0.00 WT2 H ATOM 30741 H2 TIP3 3933 72.530 10.696 -16.452 1.00 0.00 WT2 H ATOM 30742 OH2 TIP3 3934 69.591 72.716 57.146 1.00 0.00 WT2 O ATOM 30743 H1 TIP3 3934 70.157 73.085 56.468 1.00 0.00 WT2 H ATOM 30744 H2 TIP3 3934 68.805 73.262 57.125 1.00 0.00 WT2 H ATOM 30745 OH2 TIP3 3949 29.446 49.574 62.577 1.00 0.00 WT2 O ATOM 30746 H1 TIP3 3949 28.942 50.199 62.055 1.00 0.00 WT2 H ATOM 30747 H2 TIP3 3949 28.924 49.447 63.369 1.00 0.00 WT2 H ATOM 30748 OH2 TIP3 3951 85.654 67.303 -0.027 1.00 0.00 WT2 O ATOM 30749 H1 TIP3 3951 84.727 67.318 -0.267 1.00 0.00 WT2 H ATOM 30750 H2 TIP3 3951 85.828 66.390 0.201 1.00 0.00 WT2 H ATOM 30751 OH2 TIP3 3955 53.034 58.613 14.389 1.00 0.00 WT2 O ATOM 30752 H1 TIP3 3955 53.686 58.291 15.011 1.00 0.00 WT2 H ATOM 30753 H2 TIP3 3955 52.364 59.024 14.935 1.00 0.00 WT2 H ATOM 30754 OH2 TIP3 3956 58.934 93.320 -2.552 1.00 0.00 WT2 O ATOM 30755 H1 TIP3 3956 59.618 92.891 -2.037 1.00 0.00 WT2 H ATOM 30756 H2 TIP3 3956 58.960 94.235 -2.271 1.00 0.00 WT2 H ATOM 30757 OH2 TIP3 3971 43.709 52.290 -12.732 1.00 0.00 WT2 O ATOM 30758 H1 TIP3 3971 43.014 52.928 -12.570 1.00 0.00 WT2 H ATOM 30759 H2 TIP3 3971 44.179 52.635 -13.491 1.00 0.00 WT2 H ATOM 30760 OH2 TIP3 3972 36.152 15.113 60.457 1.00 0.00 WT2 O ATOM 30761 H1 TIP3 3972 35.787 14.352 60.005 1.00 0.00 WT2 H ATOM 30762 H2 TIP3 3972 35.535 15.821 60.270 1.00 0.00 WT2 H ATOM 30763 OH2 TIP3 3973 72.001 0.647 -11.402 1.00 0.00 WT2 O ATOM 30764 H1 TIP3 3973 71.767 0.705 -12.328 1.00 0.00 WT2 H ATOM 30765 H2 TIP3 3973 71.860 -0.272 -11.175 1.00 0.00 WT2 H ATOM 30766 OH2 TIP3 3974 66.855 5.526 -1.276 1.00 0.00 WT2 O ATOM 30767 H1 TIP3 3974 67.786 5.363 -1.428 1.00 0.00 WT2 H ATOM 30768 H2 TIP3 3974 66.651 5.030 -0.484 1.00 0.00 WT2 H ATOM 30769 OH2 TIP3 3975 31.193 38.652 29.062 1.00 0.00 WT2 O ATOM 30770 H1 TIP3 3975 31.847 39.231 28.670 1.00 0.00 WT2 H ATOM 30771 H2 TIP3 3975 30.796 38.200 28.317 1.00 0.00 WT2 H ATOM 30772 OH2 TIP3 3976 60.543 3.087 39.769 1.00 0.00 WT2 O ATOM 30773 H1 TIP3 3976 60.545 3.869 40.322 1.00 0.00 WT2 H ATOM 30774 H2 TIP3 3976 59.648 2.753 39.831 1.00 0.00 WT2 H ATOM 30775 OH2 TIP3 3977 83.553 4.127 -19.709 1.00 0.00 WT2 O ATOM 30776 H1 TIP3 3977 83.781 5.043 -19.865 1.00 0.00 WT2 H ATOM 30777 H2 TIP3 3977 83.217 4.113 -18.813 1.00 0.00 WT2 H ATOM 30778 OH2 TIP3 3978 41.972 82.204 22.364 1.00 0.00 WT2 O ATOM 30779 H1 TIP3 3978 41.986 81.302 22.684 1.00 0.00 WT2 H ATOM 30780 H2 TIP3 3978 41.216 82.238 21.778 1.00 0.00 WT2 H ATOM 30781 OH2 TIP3 3986 73.779 1.491 44.313 1.00 0.00 WT2 O ATOM 30782 H1 TIP3 3986 73.163 2.204 44.144 1.00 0.00 WT2 H ATOM 30783 H2 TIP3 3986 74.188 1.720 45.147 1.00 0.00 WT2 H ATOM 30784 OH2 TIP3 3991 79.824 77.453 12.547 1.00 0.00 WT2 O ATOM 30785 H1 TIP3 3991 79.518 76.681 13.023 1.00 0.00 WT2 H ATOM 30786 H2 TIP3 3991 79.068 78.039 12.529 1.00 0.00 WT2 H ATOM 30787 OH2 TIP3 3992 35.053 70.248 49.492 1.00 0.00 WT2 O ATOM 30788 H1 TIP3 3992 34.711 69.504 48.997 1.00 0.00 WT2 H ATOM 30789 H2 TIP3 3992 34.279 70.766 49.713 1.00 0.00 WT2 H ATOM 30790 OH2 TIP3 3993 43.854 16.969 64.058 1.00 0.00 WT2 O ATOM 30791 H1 TIP3 3993 43.525 16.203 64.528 1.00 0.00 WT2 H ATOM 30792 H2 TIP3 3993 43.076 17.359 63.661 1.00 0.00 WT2 H ATOM 30793 OH2 TIP3 3994 87.498 16.003 -12.677 1.00 0.00 WT2 O ATOM 30794 H1 TIP3 3994 87.924 15.162 -12.843 1.00 0.00 WT2 H ATOM 30795 H2 TIP3 3994 88.004 16.633 -13.190 1.00 0.00 WT2 H ATOM 30796 OH2 TIP3 3995 24.774 17.898 36.462 1.00 0.00 WT2 O ATOM 30797 H1 TIP3 3995 23.880 18.160 36.681 1.00 0.00 WT2 H ATOM 30798 H2 TIP3 3995 25.288 18.701 36.547 1.00 0.00 WT2 H ATOM 30799 OH2 TIP3 3996 38.104 78.298 16.570 1.00 0.00 WT2 O ATOM 30800 H1 TIP3 3996 37.867 78.286 17.498 1.00 0.00 WT2 H ATOM 30801 H2 TIP3 3996 37.368 77.874 16.129 1.00 0.00 WT2 H ATOM 30802 OH2 TIP3 4009 31.433 14.536 32.571 1.00 0.00 WT2 O ATOM 30803 H1 TIP3 4009 30.613 14.166 32.244 1.00 0.00 WT2 H ATOM 30804 H2 TIP3 4009 31.164 15.289 33.096 1.00 0.00 WT2 H ATOM 30805 OH2 TIP3 4010 36.117 38.310 -0.225 1.00 0.00 WT2 O ATOM 30806 H1 TIP3 4010 36.407 39.204 -0.043 1.00 0.00 WT2 H ATOM 30807 H2 TIP3 4010 36.489 38.107 -1.083 1.00 0.00 WT2 H ATOM 30808 OH2 TIP3 4011 41.863 64.570 36.022 1.00 0.00 WT2 O ATOM 30809 H1 TIP3 4011 42.521 65.259 36.109 1.00 0.00 WT2 H ATOM 30810 H2 TIP3 4011 42.289 63.786 36.370 1.00 0.00 WT2 H ATOM 30811 OH2 TIP3 4012 27.550 48.559 1.242 1.00 0.00 WT2 O ATOM 30812 H1 TIP3 4012 27.236 49.408 1.555 1.00 0.00 WT2 H ATOM 30813 H2 TIP3 4012 28.317 48.769 0.709 1.00 0.00 WT2 H ATOM 30814 OH2 TIP3 4014 51.266 7.653 -12.737 1.00 0.00 WT2 O ATOM 30815 H1 TIP3 4014 52.017 7.702 -12.146 1.00 0.00 WT2 H ATOM 30816 H2 TIP3 4014 51.639 7.775 -13.610 1.00 0.00 WT2 H ATOM 30817 OH2 TIP3 4015 75.200 81.078 6.227 1.00 0.00 WT2 O ATOM 30818 H1 TIP3 4015 75.131 80.624 7.067 1.00 0.00 WT2 H ATOM 30819 H2 TIP3 4015 74.642 81.850 6.324 1.00 0.00 WT2 H ATOM 30820 OH2 TIP3 4016 28.052 9.428 7.472 1.00 0.00 WT2 O ATOM 30821 H1 TIP3 4016 27.651 8.559 7.458 1.00 0.00 WT2 H ATOM 30822 H2 TIP3 4016 28.978 9.262 7.653 1.00 0.00 WT2 H ATOM 30823 OH2 TIP3 4017 40.260 48.790 63.260 1.00 0.00 WT2 O ATOM 30824 H1 TIP3 4017 40.051 48.489 62.376 1.00 0.00 WT2 H ATOM 30825 H2 TIP3 4017 41.208 48.683 63.333 1.00 0.00 WT2 H ATOM 30826 OH2 TIP3 4021 80.781 88.000 66.190 1.00 0.00 WT2 O ATOM 30827 H1 TIP3 4021 80.624 88.879 66.533 1.00 0.00 WT2 H ATOM 30828 H2 TIP3 4021 80.969 88.134 65.261 1.00 0.00 WT2 H ATOM 30829 OH2 TIP3 4022 23.555 91.519 -16.704 1.00 0.00 WT2 O ATOM 30830 H1 TIP3 4022 23.262 90.871 -17.344 1.00 0.00 WT2 H ATOM 30831 H2 TIP3 4022 23.849 91.001 -15.954 1.00 0.00 WT2 H ATOM 30832 OH2 TIP3 4030 88.705 89.369 53.467 1.00 0.00 WT2 O ATOM 30833 H1 TIP3 4030 88.815 89.469 54.413 1.00 0.00 WT2 H ATOM 30834 H2 TIP3 4030 88.737 88.423 53.320 1.00 0.00 WT2 H ATOM 30835 OH2 TIP3 4033 59.288 7.978 58.850 1.00 0.00 WT2 O ATOM 30836 H1 TIP3 4033 59.932 7.522 59.392 1.00 0.00 WT2 H ATOM 30837 H2 TIP3 4033 58.638 7.309 58.637 1.00 0.00 WT2 H ATOM 30838 OH2 TIP3 4035 36.629 90.220 15.803 1.00 0.00 WT2 O ATOM 30839 H1 TIP3 4035 36.405 89.871 16.666 1.00 0.00 WT2 H ATOM 30840 H2 TIP3 4035 36.897 91.123 15.972 1.00 0.00 WT2 H ATOM 30841 OH2 TIP3 4036 88.811 83.733 -6.413 1.00 0.00 WT2 O ATOM 30842 H1 TIP3 4036 89.718 83.763 -6.716 1.00 0.00 WT2 H ATOM 30843 H2 TIP3 4036 88.612 82.799 -6.344 1.00 0.00 WT2 H ATOM 30844 OH2 TIP3 4037 29.970 74.467 64.372 1.00 0.00 WT2 O ATOM 30845 H1 TIP3 4037 30.031 74.025 65.218 1.00 0.00 WT2 H ATOM 30846 H2 TIP3 4037 29.582 73.816 63.788 1.00 0.00 WT2 H ATOM 30847 OH2 TIP3 4040 39.020 28.631 64.873 1.00 0.00 WT2 O ATOM 30848 H1 TIP3 4040 39.201 29.514 65.196 1.00 0.00 WT2 H ATOM 30849 H2 TIP3 4040 39.755 28.105 65.189 1.00 0.00 WT2 H ATOM 30850 OH2 TIP3 4053 62.387 0.790 47.582 1.00 0.00 WT2 O ATOM 30851 H1 TIP3 4053 63.007 1.232 48.161 1.00 0.00 WT2 H ATOM 30852 H2 TIP3 4053 62.719 -0.105 47.513 1.00 0.00 WT2 H ATOM 30853 OH2 TIP3 4054 73.209 83.661 -9.006 1.00 0.00 WT2 O ATOM 30854 H1 TIP3 4054 72.472 84.250 -9.167 1.00 0.00 WT2 H ATOM 30855 H2 TIP3 4054 73.838 84.191 -8.516 1.00 0.00 WT2 H ATOM 30856 OH2 TIP3 4055 42.450 56.906 6.817 1.00 0.00 WT2 O ATOM 30857 H1 TIP3 4055 42.589 55.982 7.025 1.00 0.00 WT2 H ATOM 30858 H2 TIP3 4055 43.132 57.367 7.307 1.00 0.00 WT2 H ATOM 30859 OH2 TIP3 4056 23.946 90.639 25.892 1.00 0.00 WT2 O ATOM 30860 H1 TIP3 4056 23.459 89.855 25.637 1.00 0.00 WT2 H ATOM 30861 H2 TIP3 4056 23.937 91.192 25.110 1.00 0.00 WT2 H ATOM 30862 OH2 TIP3 4057 79.240 43.197 49.799 1.00 0.00 WT2 O ATOM 30863 H1 TIP3 4057 80.180 43.036 49.879 1.00 0.00 WT2 H ATOM 30864 H2 TIP3 4057 78.847 42.324 49.799 1.00 0.00 WT2 H ATOM 30865 OH2 TIP3 4058 41.942 87.974 41.424 1.00 0.00 WT2 O ATOM 30866 H1 TIP3 4058 41.298 88.204 42.094 1.00 0.00 WT2 H ATOM 30867 H2 TIP3 4058 41.651 87.126 41.091 1.00 0.00 WT2 H ATOM 30868 OH2 TIP3 4059 68.377 29.130 53.959 1.00 0.00 WT2 O ATOM 30869 H1 TIP3 4059 68.235 29.098 54.905 1.00 0.00 WT2 H ATOM 30870 H2 TIP3 4059 67.576 29.522 53.610 1.00 0.00 WT2 H ATOM 30871 OH2 TIP3 4060 73.879 40.198 -1.601 1.00 0.00 WT2 O ATOM 30872 H1 TIP3 4060 73.077 39.982 -1.125 1.00 0.00 WT2 H ATOM 30873 H2 TIP3 4060 74.298 39.353 -1.762 1.00 0.00 WT2 H ATOM 30874 OH2 TIP3 4064 26.246 81.990 23.035 1.00 0.00 WT2 O ATOM 30875 H1 TIP3 4064 26.087 82.785 23.543 1.00 0.00 WT2 H ATOM 30876 H2 TIP3 4064 25.397 81.550 23.003 1.00 0.00 WT2 H ATOM 30877 OH2 TIP3 4072 46.823 60.653 58.205 1.00 0.00 WT2 O ATOM 30878 H1 TIP3 4072 46.608 61.429 57.688 1.00 0.00 WT2 H ATOM 30879 H2 TIP3 4072 46.777 59.928 57.582 1.00 0.00 WT2 H ATOM 30880 OH2 TIP3 4074 63.587 88.269 53.516 1.00 0.00 WT2 O ATOM 30881 H1 TIP3 4074 63.623 88.583 52.613 1.00 0.00 WT2 H ATOM 30882 H2 TIP3 4074 64.419 87.813 53.645 1.00 0.00 WT2 H ATOM 30883 OH2 TIP3 4076 61.631 42.264 -12.240 1.00 0.00 WT2 O ATOM 30884 H1 TIP3 4076 60.840 42.581 -12.677 1.00 0.00 WT2 H ATOM 30885 H2 TIP3 4076 61.395 41.393 -11.920 1.00 0.00 WT2 H ATOM 30886 OH2 TIP3 4077 78.622 27.895 53.816 1.00 0.00 WT2 O ATOM 30887 H1 TIP3 4077 79.029 27.036 53.698 1.00 0.00 WT2 H ATOM 30888 H2 TIP3 4077 79.123 28.303 54.521 1.00 0.00 WT2 H ATOM 30889 OH2 TIP3 4078 55.821 2.112 65.846 1.00 0.00 WT2 O ATOM 30890 H1 TIP3 4078 54.943 1.730 65.870 1.00 0.00 WT2 H ATOM 30891 H2 TIP3 4078 55.992 2.374 66.751 1.00 0.00 WT2 H ATOM 30892 OH2 TIP3 4083 37.802 27.927 17.708 1.00 0.00 WT2 O ATOM 30893 H1 TIP3 4083 38.011 28.599 18.356 1.00 0.00 WT2 H ATOM 30894 H2 TIP3 4083 37.763 27.113 18.210 1.00 0.00 WT2 H ATOM 30895 OH2 TIP3 4093 84.255 58.351 39.644 1.00 0.00 WT2 O ATOM 30896 H1 TIP3 4093 83.708 59.030 39.249 1.00 0.00 WT2 H ATOM 30897 H2 TIP3 4093 84.086 58.423 40.583 1.00 0.00 WT2 H ATOM 30898 OH2 TIP3 4097 26.261 76.372 18.674 1.00 0.00 WT2 O ATOM 30899 H1 TIP3 4097 25.440 76.865 18.643 1.00 0.00 WT2 H ATOM 30900 H2 TIP3 4097 26.608 76.429 17.784 1.00 0.00 WT2 H ATOM 30901 OH2 TIP3 4098 23.089 46.317 47.868 1.00 0.00 WT2 O ATOM 30902 H1 TIP3 4098 23.784 46.956 47.712 1.00 0.00 WT2 H ATOM 30903 H2 TIP3 4098 22.471 46.770 48.442 1.00 0.00 WT2 H ATOM 30904 OH2 TIP3 4099 28.318 29.538 -13.518 1.00 0.00 WT2 O ATOM 30905 H1 TIP3 4099 28.360 28.602 -13.321 1.00 0.00 WT2 H ATOM 30906 H2 TIP3 4099 28.824 29.636 -14.325 1.00 0.00 WT2 H ATOM 30907 OH2 TIP3 4100 22.634 81.688 32.699 1.00 0.00 WT2 O ATOM 30908 H1 TIP3 4100 22.182 81.495 33.520 1.00 0.00 WT2 H ATOM 30909 H2 TIP3 4100 21.985 81.508 32.019 1.00 0.00 WT2 H ATOM 30910 OH2 TIP3 4101 74.691 90.018 -10.378 1.00 0.00 WT2 O ATOM 30911 H1 TIP3 4101 75.060 90.554 -11.081 1.00 0.00 WT2 H ATOM 30912 H2 TIP3 4101 75.055 89.145 -10.526 1.00 0.00 WT2 H ATOM 30913 OH2 TIP3 4104 58.425 43.137 3.862 1.00 0.00 WT2 O ATOM 30914 H1 TIP3 4104 58.592 42.356 4.391 1.00 0.00 WT2 H ATOM 30915 H2 TIP3 4104 57.721 43.593 4.324 1.00 0.00 WT2 H ATOM 30916 OH2 TIP3 4116 55.197 68.818 7.304 1.00 0.00 WT2 O ATOM 30917 H1 TIP3 4116 54.354 68.381 7.421 1.00 0.00 WT2 H ATOM 30918 H2 TIP3 4116 55.419 69.150 8.174 1.00 0.00 WT2 H ATOM 30919 OH2 TIP3 4119 22.482 47.941 -10.542 1.00 0.00 WT2 O ATOM 30920 H1 TIP3 4119 23.319 47.536 -10.772 1.00 0.00 WT2 H ATOM 30921 H2 TIP3 4119 21.830 47.431 -11.022 1.00 0.00 WT2 H ATOM 30922 OH2 TIP3 4120 56.201 29.534 -15.791 1.00 0.00 WT2 O ATOM 30923 H1 TIP3 4120 56.506 29.823 -14.931 1.00 0.00 WT2 H ATOM 30924 H2 TIP3 4120 55.928 30.338 -16.231 1.00 0.00 WT2 H ATOM 30925 OH2 TIP3 4121 27.595 41.927 54.749 1.00 0.00 WT2 O ATOM 30926 H1 TIP3 4121 27.620 42.457 53.952 1.00 0.00 WT2 H ATOM 30927 H2 TIP3 4121 28.514 41.812 54.990 1.00 0.00 WT2 H ATOM 30928 OH2 TIP3 4123 42.245 16.592 5.059 1.00 0.00 WT2 O ATOM 30929 H1 TIP3 4123 41.861 17.394 4.704 1.00 0.00 WT2 H ATOM 30930 H2 TIP3 4123 41.652 15.896 4.776 1.00 0.00 WT2 H ATOM 30931 OH2 TIP3 4138 21.044 57.129 63.357 1.00 0.00 WT2 O ATOM 30932 H1 TIP3 4138 21.690 56.423 63.374 1.00 0.00 WT2 H ATOM 30933 H2 TIP3 4138 21.225 57.638 64.148 1.00 0.00 WT2 H ATOM 30934 OH2 TIP3 4139 84.701 40.733 25.270 1.00 0.00 WT2 O ATOM 30935 H1 TIP3 4139 83.792 40.443 25.192 1.00 0.00 WT2 H ATOM 30936 H2 TIP3 4139 84.711 41.282 26.055 1.00 0.00 WT2 H ATOM 30937 OH2 TIP3 4140 53.980 4.662 20.134 1.00 0.00 WT2 O ATOM 30938 H1 TIP3 4140 53.565 5.507 19.960 1.00 0.00 WT2 H ATOM 30939 H2 TIP3 4140 54.908 4.808 19.947 1.00 0.00 WT2 H ATOM 30940 OH2 TIP3 4141 85.729 59.851 48.490 1.00 0.00 WT2 O ATOM 30941 H1 TIP3 4141 86.314 60.258 49.131 1.00 0.00 WT2 H ATOM 30942 H2 TIP3 4141 86.062 58.959 48.394 1.00 0.00 WT2 H ATOM 30943 OH2 TIP3 4142 44.708 43.358 34.024 1.00 0.00 WT2 O ATOM 30944 H1 TIP3 4142 45.163 43.821 33.321 1.00 0.00 WT2 H ATOM 30945 H2 TIP3 4142 44.324 42.592 33.598 1.00 0.00 WT2 H ATOM 30946 OH2 TIP3 4143 79.663 18.234 -11.872 1.00 0.00 WT2 O ATOM 30947 H1 TIP3 4143 79.535 19.006 -11.321 1.00 0.00 WT2 H ATOM 30948 H2 TIP3 4143 80.231 17.662 -11.355 1.00 0.00 WT2 H ATOM 30949 OH2 TIP3 4157 30.468 38.302 -18.658 1.00 0.00 WT2 O ATOM 30950 H1 TIP3 4157 29.601 37.902 -18.730 1.00 0.00 WT2 H ATOM 30951 H2 TIP3 4157 30.313 39.135 -18.213 1.00 0.00 WT2 H ATOM 30952 OH2 TIP3 4158 21.025 77.960 15.003 1.00 0.00 WT2 O ATOM 30953 H1 TIP3 4158 21.251 77.103 14.641 1.00 0.00 WT2 H ATOM 30954 H2 TIP3 4158 20.283 78.255 14.476 1.00 0.00 WT2 H ATOM 30955 OH2 TIP3 4159 48.028 17.575 -0.247 1.00 0.00 WT2 O ATOM 30956 H1 TIP3 4159 47.962 17.395 0.691 1.00 0.00 WT2 H ATOM 30957 H2 TIP3 4159 48.938 17.841 -0.377 1.00 0.00 WT2 H ATOM 30958 OH2 TIP3 4161 28.076 54.680 17.905 1.00 0.00 WT2 O ATOM 30959 H1 TIP3 4161 28.686 55.377 18.147 1.00 0.00 WT2 H ATOM 30960 H2 TIP3 4161 28.483 53.879 18.237 1.00 0.00 WT2 H ATOM 30961 OH2 TIP3 4165 41.086 84.127 -15.247 1.00 0.00 WT2 O ATOM 30962 H1 TIP3 4165 40.485 84.426 -14.565 1.00 0.00 WT2 H ATOM 30963 H2 TIP3 4165 40.959 83.179 -15.280 1.00 0.00 WT2 H ATOM 30964 OH2 TIP3 4179 53.862 1.989 37.983 1.00 0.00 WT2 O ATOM 30965 H1 TIP3 4179 53.521 2.583 37.314 1.00 0.00 WT2 H ATOM 30966 H2 TIP3 4179 53.689 1.114 37.637 1.00 0.00 WT2 H ATOM 30967 OH2 TIP3 4181 79.512 31.784 58.186 1.00 0.00 WT2 O ATOM 30968 H1 TIP3 4181 79.956 32.593 58.440 1.00 0.00 WT2 H ATOM 30969 H2 TIP3 4181 80.120 31.356 57.584 1.00 0.00 WT2 H ATOM 30970 OH2 TIP3 4182 80.610 31.878 40.889 1.00 0.00 WT2 O ATOM 30971 H1 TIP3 4182 80.268 31.469 40.094 1.00 0.00 WT2 H ATOM 30972 H2 TIP3 4182 81.560 31.869 40.774 1.00 0.00 WT2 H ATOM 30973 OH2 TIP3 4183 46.409 64.536 5.410 1.00 0.00 WT2 O ATOM 30974 H1 TIP3 4183 46.862 63.968 6.033 1.00 0.00 WT2 H ATOM 30975 H2 TIP3 4183 46.683 65.421 5.648 1.00 0.00 WT2 H ATOM 30976 OH2 TIP3 4184 28.322 2.287 41.227 1.00 0.00 WT2 O ATOM 30977 H1 TIP3 4184 28.802 2.921 41.760 1.00 0.00 WT2 H ATOM 30978 H2 TIP3 4184 27.562 2.054 41.759 1.00 0.00 WT2 H ATOM 30979 OH2 TIP3 4186 36.984 10.152 22.360 1.00 0.00 WT2 O ATOM 30980 H1 TIP3 4186 36.760 10.733 21.633 1.00 0.00 WT2 H ATOM 30981 H2 TIP3 4186 37.672 10.617 22.835 1.00 0.00 WT2 H ATOM 30982 OH2 TIP3 4187 38.915 19.785 8.464 1.00 0.00 WT2 O ATOM 30983 H1 TIP3 4187 39.798 19.967 8.783 1.00 0.00 WT2 H ATOM 30984 H2 TIP3 4187 38.501 19.291 9.172 1.00 0.00 WT2 H ATOM 30985 OH2 TIP3 4198 65.224 29.786 7.726 1.00 0.00 WT2 O ATOM 30986 H1 TIP3 4198 64.773 29.195 8.330 1.00 0.00 WT2 H ATOM 30987 H2 TIP3 4198 64.597 29.927 7.017 1.00 0.00 WT2 H ATOM 30988 OH2 TIP3 4200 72.739 46.669 -12.281 1.00 0.00 WT2 O ATOM 30989 H1 TIP3 4200 72.027 46.029 -12.269 1.00 0.00 WT2 H ATOM 30990 H2 TIP3 4200 72.499 47.308 -11.610 1.00 0.00 WT2 H ATOM 30991 OH2 TIP3 4201 38.945 24.740 -3.050 1.00 0.00 WT2 O ATOM 30992 H1 TIP3 4201 39.641 24.165 -2.731 1.00 0.00 WT2 H ATOM 30993 H2 TIP3 4201 38.159 24.440 -2.593 1.00 0.00 WT2 H ATOM 30994 OH2 TIP3 4202 65.799 73.956 58.069 1.00 0.00 WT2 O ATOM 30995 H1 TIP3 4202 66.555 74.537 57.983 1.00 0.00 WT2 H ATOM 30996 H2 TIP3 4202 65.422 73.922 57.190 1.00 0.00 WT2 H ATOM 30997 OH2 TIP3 4205 22.169 47.659 3.965 1.00 0.00 WT2 O ATOM 30998 H1 TIP3 4205 21.555 48.358 4.190 1.00 0.00 WT2 H ATOM 30999 H2 TIP3 4205 22.812 47.667 4.673 1.00 0.00 WT2 H ATOM 31000 OH2 TIP3 4206 56.334 67.461 25.423 1.00 0.00 WT2 O ATOM 31001 H1 TIP3 4206 55.552 67.329 24.887 1.00 0.00 WT2 H ATOM 31002 H2 TIP3 4206 57.062 67.228 24.846 1.00 0.00 WT2 H ATOM 31003 OH2 TIP3 4207 53.235 26.399 -4.902 1.00 0.00 WT2 O ATOM 31004 H1 TIP3 4207 53.014 25.968 -4.076 1.00 0.00 WT2 H ATOM 31005 H2 TIP3 4207 52.431 26.850 -5.158 1.00 0.00 WT2 H ATOM 31006 OH2 TIP3 4218 71.934 22.424 41.259 1.00 0.00 WT2 O ATOM 31007 H1 TIP3 4218 72.245 22.740 40.411 1.00 0.00 WT2 H ATOM 31008 H2 TIP3 4218 72.195 21.503 41.283 1.00 0.00 WT2 H ATOM 31009 OH2 TIP3 4219 42.195 53.860 -15.005 1.00 0.00 WT2 O ATOM 31010 H1 TIP3 4219 41.831 54.626 -14.561 1.00 0.00 WT2 H ATOM 31011 H2 TIP3 4219 42.562 54.206 -15.818 1.00 0.00 WT2 H ATOM 31012 OH2 TIP3 4224 38.694 28.905 24.464 1.00 0.00 WT2 O ATOM 31013 H1 TIP3 4224 38.879 29.716 24.937 1.00 0.00 WT2 H ATOM 31014 H2 TIP3 4224 38.493 29.188 23.572 1.00 0.00 WT2 H ATOM 31015 OH2 TIP3 4225 26.418 37.617 50.815 1.00 0.00 WT2 O ATOM 31016 H1 TIP3 4225 25.849 37.087 50.257 1.00 0.00 WT2 H ATOM 31017 H2 TIP3 4225 27.270 37.594 50.380 1.00 0.00 WT2 H ATOM 31018 OH2 TIP3 4226 33.832 42.933 66.512 1.00 0.00 WT2 O ATOM 31019 H1 TIP3 4226 33.605 43.197 67.404 1.00 0.00 WT2 H ATOM 31020 H2 TIP3 4226 34.748 42.660 66.568 1.00 0.00 WT2 H ATOM 31021 OH2 TIP3 4227 44.374 28.716 -3.602 1.00 0.00 WT2 O ATOM 31022 H1 TIP3 4227 45.207 29.176 -3.706 1.00 0.00 WT2 H ATOM 31023 H2 TIP3 4227 44.505 28.150 -2.841 1.00 0.00 WT2 H ATOM 31024 OH2 TIP3 4229 71.405 73.385 -7.653 1.00 0.00 WT2 O ATOM 31025 H1 TIP3 4229 71.716 72.845 -6.926 1.00 0.00 WT2 H ATOM 31026 H2 TIP3 4229 70.632 72.925 -7.980 1.00 0.00 WT2 H ATOM 31027 OH2 TIP3 4243 38.930 17.800 -5.905 1.00 0.00 WT2 O ATOM 31028 H1 TIP3 4243 38.074 17.448 -6.148 1.00 0.00 WT2 H ATOM 31029 H2 TIP3 4243 38.740 18.432 -5.210 1.00 0.00 WT2 H ATOM 31030 OH2 TIP3 4245 57.806 44.424 62.440 1.00 0.00 WT2 O ATOM 31031 H1 TIP3 4245 57.522 43.574 62.776 1.00 0.00 WT2 H ATOM 31032 H2 TIP3 4245 58.598 44.626 62.939 1.00 0.00 WT2 H ATOM 31033 OH2 TIP3 4246 48.216 59.255 -6.376 1.00 0.00 WT2 O ATOM 31034 H1 TIP3 4246 49.158 59.423 -6.378 1.00 0.00 WT2 H ATOM 31035 H2 TIP3 4246 47.983 59.203 -5.449 1.00 0.00 WT2 H ATOM 31036 OH2 TIP3 4247 67.909 44.444 64.484 1.00 0.00 WT2 O ATOM 31037 H1 TIP3 4247 68.788 44.550 64.848 1.00 0.00 WT2 H ATOM 31038 H2 TIP3 4247 67.880 43.534 64.187 1.00 0.00 WT2 H ATOM 31039 OH2 TIP3 4248 39.577 19.257 57.292 1.00 0.00 WT2 O ATOM 31040 H1 TIP3 4248 39.494 18.400 56.873 1.00 0.00 WT2 H ATOM 31041 H2 TIP3 4248 40.495 19.497 57.167 1.00 0.00 WT2 H ATOM 31042 OH2 TIP3 4251 44.912 8.119 -10.504 1.00 0.00 WT2 O ATOM 31043 H1 TIP3 4251 44.115 7.812 -10.072 1.00 0.00 WT2 H ATOM 31044 H2 TIP3 4251 45.503 8.342 -9.785 1.00 0.00 WT2 H ATOM 31045 OH2 TIP3 4262 47.107 49.511 42.664 1.00 0.00 WT2 O ATOM 31046 H1 TIP3 4262 47.960 49.850 42.935 1.00 0.00 WT2 H ATOM 31047 H2 TIP3 4262 46.711 50.226 42.167 1.00 0.00 WT2 H ATOM 31048 OH2 TIP3 4264 61.558 58.190 57.295 1.00 0.00 WT2 O ATOM 31049 H1 TIP3 4264 62.468 57.929 57.157 1.00 0.00 WT2 H ATOM 31050 H2 TIP3 4264 61.124 57.999 56.464 1.00 0.00 WT2 H ATOM 31051 OH2 TIP3 4266 66.713 37.490 1.403 1.00 0.00 WT2 O ATOM 31052 H1 TIP3 4266 66.940 38.394 1.622 1.00 0.00 WT2 H ATOM 31053 H2 TIP3 4266 65.827 37.376 1.745 1.00 0.00 WT2 H ATOM 31054 OH2 TIP3 4267 38.901 19.112 41.390 1.00 0.00 WT2 O ATOM 31055 H1 TIP3 4267 38.654 18.726 40.549 1.00 0.00 WT2 H ATOM 31056 H2 TIP3 4267 38.676 20.039 41.303 1.00 0.00 WT2 H ATOM 31057 OH2 TIP3 4268 35.614 65.046 -1.318 1.00 0.00 WT2 O ATOM 31058 H1 TIP3 4268 35.059 64.507 -1.881 1.00 0.00 WT2 H ATOM 31059 H2 TIP3 4268 36.246 65.445 -1.915 1.00 0.00 WT2 H ATOM 31060 OH2 TIP3 4269 82.140 78.206 55.235 1.00 0.00 WT2 O ATOM 31061 H1 TIP3 4269 81.667 77.617 54.648 1.00 0.00 WT2 H ATOM 31062 H2 TIP3 4269 81.453 78.668 55.716 1.00 0.00 WT2 H ATOM 31063 OH2 TIP3 4282 36.513 27.947 52.610 1.00 0.00 WT2 O ATOM 31064 H1 TIP3 4282 35.755 27.465 52.942 1.00 0.00 WT2 H ATOM 31065 H2 TIP3 4282 36.259 28.213 51.726 1.00 0.00 WT2 H ATOM 31066 OH2 TIP3 4283 27.918 43.309 -17.301 1.00 0.00 WT2 O ATOM 31067 H1 TIP3 4283 28.576 42.617 -17.237 1.00 0.00 WT2 H ATOM 31068 H2 TIP3 4283 27.097 42.844 -17.464 1.00 0.00 WT2 H ATOM 31069 OH2 TIP3 4287 21.858 21.589 -9.846 1.00 0.00 WT2 O ATOM 31070 H1 TIP3 4287 22.154 21.818 -8.964 1.00 0.00 WT2 H ATOM 31071 H2 TIP3 4287 21.065 21.071 -9.706 1.00 0.00 WT2 H ATOM 31072 OH2 TIP3 4288 35.402 33.473 24.265 1.00 0.00 WT2 O ATOM 31073 H1 TIP3 4288 36.342 33.636 24.336 1.00 0.00 WT2 H ATOM 31074 H2 TIP3 4288 35.250 32.703 24.814 1.00 0.00 WT2 H ATOM 31075 OH2 TIP3 4289 83.031 3.893 44.599 1.00 0.00 WT2 O ATOM 31076 H1 TIP3 4289 83.663 4.589 44.417 1.00 0.00 WT2 H ATOM 31077 H2 TIP3 4289 82.932 3.435 43.764 1.00 0.00 WT2 H ATOM 31078 OH2 TIP3 4290 36.376 95.664 38.898 1.00 0.00 WT2 O ATOM 31079 H1 TIP3 4290 35.746 95.025 39.229 1.00 0.00 WT2 H ATOM 31080 H2 TIP3 4290 36.648 95.316 38.049 1.00 0.00 WT2 H ATOM 31081 OH2 TIP3 4293 70.966 16.852 3.052 1.00 0.00 WT2 O ATOM 31082 H1 TIP3 4293 70.055 17.121 2.933 1.00 0.00 WT2 H ATOM 31083 H2 TIP3 4293 70.909 15.982 3.446 1.00 0.00 WT2 H ATOM 31084 OH2 TIP3 4297 24.113 22.872 15.868 1.00 0.00 WT2 O ATOM 31085 H1 TIP3 4297 24.469 22.287 15.199 1.00 0.00 WT2 H ATOM 31086 H2 TIP3 4297 23.731 22.285 16.521 1.00 0.00 WT2 H ATOM 31087 OH2 TIP3 4304 60.431 4.104 63.454 1.00 0.00 WT2 O ATOM 31088 H1 TIP3 4304 60.571 3.289 62.972 1.00 0.00 WT2 H ATOM 31089 H2 TIP3 4304 60.904 3.980 64.277 1.00 0.00 WT2 H ATOM 31090 OH2 TIP3 4306 28.856 39.435 33.800 1.00 0.00 WT2 O ATOM 31091 H1 TIP3 4306 29.281 40.017 34.429 1.00 0.00 WT2 H ATOM 31092 H2 TIP3 4306 28.994 38.557 34.154 1.00 0.00 WT2 H ATOM 31093 OH2 TIP3 4307 65.673 6.402 -5.356 1.00 0.00 WT2 O ATOM 31094 H1 TIP3 4307 64.749 6.307 -5.124 1.00 0.00 WT2 H ATOM 31095 H2 TIP3 4307 65.683 7.087 -6.025 1.00 0.00 WT2 H ATOM 31096 OH2 TIP3 4311 43.600 13.572 -6.203 1.00 0.00 WT2 O ATOM 31097 H1 TIP3 4311 43.681 14.487 -5.934 1.00 0.00 WT2 H ATOM 31098 H2 TIP3 4311 44.011 13.538 -7.066 1.00 0.00 WT2 H ATOM 31099 OH2 TIP3 4313 33.246 90.491 62.041 1.00 0.00 WT2 O ATOM 31100 H1 TIP3 4313 33.295 91.304 61.538 1.00 0.00 WT2 H ATOM 31101 H2 TIP3 4313 32.486 90.032 61.683 1.00 0.00 WT2 H ATOM 31102 OH2 TIP3 4321 53.284 29.817 51.871 1.00 0.00 WT2 O ATOM 31103 H1 TIP3 4321 53.935 29.116 51.837 1.00 0.00 WT2 H ATOM 31104 H2 TIP3 4321 53.304 30.206 50.996 1.00 0.00 WT2 H ATOM 31105 OH2 TIP3 4328 88.853 29.012 39.796 1.00 0.00 WT2 O ATOM 31106 H1 TIP3 4328 89.041 28.761 38.892 1.00 0.00 WT2 H ATOM 31107 H2 TIP3 4328 87.897 29.032 39.845 1.00 0.00 WT2 H ATOM 31108 OH2 TIP3 4329 30.562 71.352 66.085 1.00 0.00 WT2 O ATOM 31109 H1 TIP3 4329 29.612 71.247 66.138 1.00 0.00 WT2 H ATOM 31110 H2 TIP3 4329 30.738 72.177 66.538 1.00 0.00 WT2 H ATOM 31111 OH2 TIP3 4330 33.267 48.820 57.269 1.00 0.00 WT2 O ATOM 31112 H1 TIP3 4330 32.664 48.926 58.004 1.00 0.00 WT2 H ATOM 31113 H2 TIP3 4330 34.039 48.403 57.650 1.00 0.00 WT2 H ATOM 31114 OH2 TIP3 4332 74.132 48.768 5.281 1.00 0.00 WT2 O ATOM 31115 H1 TIP3 4332 74.201 48.472 6.188 1.00 0.00 WT2 H ATOM 31116 H2 TIP3 4332 73.365 49.339 5.271 1.00 0.00 WT2 H ATOM 31117 OH2 TIP3 4337 22.427 48.741 34.655 1.00 0.00 WT2 O ATOM 31118 H1 TIP3 4337 21.537 48.728 34.303 1.00 0.00 WT2 H ATOM 31119 H2 TIP3 4337 22.980 48.482 33.918 1.00 0.00 WT2 H ATOM 31120 OH2 TIP3 4349 63.711 80.557 -11.015 1.00 0.00 WT2 O ATOM 31121 H1 TIP3 4349 63.516 80.128 -11.848 1.00 0.00 WT2 H ATOM 31122 H2 TIP3 4349 63.577 79.875 -10.357 1.00 0.00 WT2 H ATOM 31123 OH2 TIP3 4350 22.059 54.253 8.851 1.00 0.00 WT2 O ATOM 31124 H1 TIP3 4350 22.424 54.188 9.734 1.00 0.00 WT2 H ATOM 31125 H2 TIP3 4350 22.824 54.303 8.278 1.00 0.00 WT2 H ATOM 31126 OH2 TIP3 4351 42.601 40.808 27.509 1.00 0.00 WT2 O ATOM 31127 H1 TIP3 4351 43.193 40.738 26.761 1.00 0.00 WT2 H ATOM 31128 H2 TIP3 4351 42.918 40.150 28.129 1.00 0.00 WT2 H ATOM 31129 OH2 TIP3 4352 25.064 17.445 -7.833 1.00 0.00 WT2 O ATOM 31130 H1 TIP3 4352 25.011 17.411 -8.788 1.00 0.00 WT2 H ATOM 31131 H2 TIP3 4352 25.066 18.380 -7.626 1.00 0.00 WT2 H ATOM 31132 OH2 TIP3 4353 27.809 14.386 34.017 1.00 0.00 WT2 O ATOM 31133 H1 TIP3 4353 27.658 14.547 34.949 1.00 0.00 WT2 H ATOM 31134 H2 TIP3 4353 28.262 15.171 33.709 1.00 0.00 WT2 H ATOM 31135 OH2 TIP3 4356 56.252 22.393 7.517 1.00 0.00 WT2 O ATOM 31136 H1 TIP3 4356 56.313 23.185 6.983 1.00 0.00 WT2 H ATOM 31137 H2 TIP3 4356 56.201 22.714 8.417 1.00 0.00 WT2 H ATOM 31138 OH2 TIP3 4357 67.909 20.500 61.210 1.00 0.00 WT2 O ATOM 31139 H1 TIP3 4357 68.323 20.792 60.399 1.00 0.00 WT2 H ATOM 31140 H2 TIP3 4357 67.842 19.550 61.116 1.00 0.00 WT2 H ATOM 31141 OH2 TIP3 4363 76.189 53.914 22.993 1.00 0.00 WT2 O ATOM 31142 H1 TIP3 4363 76.258 54.088 23.932 1.00 0.00 WT2 H ATOM 31143 H2 TIP3 4363 75.258 53.749 22.847 1.00 0.00 WT2 H ATOM 31144 OH2 TIP3 4373 23.332 88.154 -8.358 1.00 0.00 WT2 O ATOM 31145 H1 TIP3 4373 23.658 88.894 -8.870 1.00 0.00 WT2 H ATOM 31146 H2 TIP3 4373 22.547 88.490 -7.924 1.00 0.00 WT2 H ATOM 31147 OH2 TIP3 4374 70.423 9.935 -18.771 1.00 0.00 WT2 O ATOM 31148 H1 TIP3 4374 69.597 10.072 -19.235 1.00 0.00 WT2 H ATOM 31149 H2 TIP3 4374 70.476 8.987 -18.651 1.00 0.00 WT2 H ATOM 31150 OH2 TIP3 4387 65.990 86.748 53.507 1.00 0.00 WT2 O ATOM 31151 H1 TIP3 4387 65.668 86.000 54.010 1.00 0.00 WT2 H ATOM 31152 H2 TIP3 4387 66.915 86.553 53.354 1.00 0.00 WT2 H ATOM 31153 OH2 TIP3 4391 70.656 63.436 -8.302 1.00 0.00 WT2 O ATOM 31154 H1 TIP3 4391 70.256 64.169 -8.770 1.00 0.00 WT2 H ATOM 31155 H2 TIP3 4391 70.110 62.682 -8.526 1.00 0.00 WT2 H ATOM 31156 OH2 TIP3 4392 69.005 38.317 22.548 1.00 0.00 WT2 O ATOM 31157 H1 TIP3 4392 68.842 37.417 22.266 1.00 0.00 WT2 H ATOM 31158 H2 TIP3 4392 69.456 38.723 21.808 1.00 0.00 WT2 H ATOM 31159 OH2 TIP3 4393 66.239 52.964 32.925 1.00 0.00 WT2 O ATOM 31160 H1 TIP3 4393 65.818 53.823 32.970 1.00 0.00 WT2 H ATOM 31161 H2 TIP3 4393 65.914 52.580 32.111 1.00 0.00 WT2 H ATOM 31162 OH2 TIP3 4394 34.986 79.758 1.907 1.00 0.00 WT2 O ATOM 31163 H1 TIP3 4394 35.433 78.916 1.991 1.00 0.00 WT2 H ATOM 31164 H2 TIP3 4394 35.635 80.403 2.188 1.00 0.00 WT2 H ATOM 31165 OH2 TIP3 4395 45.032 52.232 37.313 1.00 0.00 WT2 O ATOM 31166 H1 TIP3 4395 45.897 52.622 37.433 1.00 0.00 WT2 H ATOM 31167 H2 TIP3 4395 45.105 51.360 37.702 1.00 0.00 WT2 H ATOM 31168 OH2 TIP3 4399 57.636 30.503 31.994 1.00 0.00 WT2 O ATOM 31169 H1 TIP3 4399 57.387 31.418 31.861 1.00 0.00 WT2 H ATOM 31170 H2 TIP3 4399 57.211 30.256 32.815 1.00 0.00 WT2 H ATOM 31171 OH2 TIP3 4411 58.715 77.758 20.163 1.00 0.00 WT2 O ATOM 31172 H1 TIP3 4411 58.210 77.577 19.371 1.00 0.00 WT2 H ATOM 31173 H2 TIP3 4411 58.069 78.079 20.792 1.00 0.00 WT2 H ATOM 31174 OH2 TIP3 4414 54.960 74.155 65.980 1.00 0.00 WT2 O ATOM 31175 H1 TIP3 4414 55.047 75.069 66.253 1.00 0.00 WT2 H ATOM 31176 H2 TIP3 4414 54.740 73.684 66.783 1.00 0.00 WT2 H ATOM 31177 OH2 TIP3 4417 58.911 86.338 -14.326 1.00 0.00 WT2 O ATOM 31178 H1 TIP3 4417 59.158 87.254 -14.455 1.00 0.00 WT2 H ATOM 31179 H2 TIP3 4417 58.186 86.197 -14.935 1.00 0.00 WT2 H ATOM 31180 OH2 TIP3 4419 26.156 17.892 65.064 1.00 0.00 WT2 O ATOM 31181 H1 TIP3 4419 25.574 17.801 64.310 1.00 0.00 WT2 H ATOM 31182 H2 TIP3 4419 26.894 18.406 64.736 1.00 0.00 WT2 H ATOM 31183 OH2 TIP3 4432 64.908 36.261 -17.191 1.00 0.00 WT2 O ATOM 31184 H1 TIP3 4432 64.620 35.989 -16.320 1.00 0.00 WT2 H ATOM 31185 H2 TIP3 4432 64.368 35.749 -17.794 1.00 0.00 WT2 H ATOM 31186 OH2 TIP3 4434 59.317 56.251 61.212 1.00 0.00 WT2 O ATOM 31187 H1 TIP3 4434 58.564 56.668 61.631 1.00 0.00 WT2 H ATOM 31188 H2 TIP3 4434 58.958 55.842 60.425 1.00 0.00 WT2 H ATOM 31189 OH2 TIP3 4435 64.630 63.437 50.412 1.00 0.00 WT2 O ATOM 31190 H1 TIP3 4435 64.758 63.576 51.350 1.00 0.00 WT2 H ATOM 31191 H2 TIP3 4435 65.379 63.869 50.001 1.00 0.00 WT2 H ATOM 31192 OH2 TIP3 4437 74.252 24.720 46.351 1.00 0.00 WT2 O ATOM 31193 H1 TIP3 4437 74.402 24.332 45.489 1.00 0.00 WT2 H ATOM 31194 H2 TIP3 4437 74.016 25.630 46.168 1.00 0.00 WT2 H ATOM 31195 OH2 TIP3 4438 71.014 68.676 -17.254 1.00 0.00 WT2 O ATOM 31196 H1 TIP3 4438 70.215 68.215 -17.000 1.00 0.00 WT2 H ATOM 31197 H2 TIP3 4438 71.236 68.315 -18.112 1.00 0.00 WT2 H ATOM 31198 OH2 TIP3 4453 37.229 95.435 -9.033 1.00 0.00 WT2 O ATOM 31199 H1 TIP3 4453 36.825 96.082 -9.611 1.00 0.00 WT2 H ATOM 31200 H2 TIP3 4453 37.596 95.950 -8.315 1.00 0.00 WT2 H ATOM 31201 OH2 TIP3 4454 23.256 63.196 59.072 1.00 0.00 WT2 O ATOM 31202 H1 TIP3 4454 23.360 63.819 58.353 1.00 0.00 WT2 H ATOM 31203 H2 TIP3 4454 24.110 63.181 59.503 1.00 0.00 WT2 H ATOM 31204 OH2 TIP3 4455 63.721 18.056 9.908 1.00 0.00 WT2 O ATOM 31205 H1 TIP3 4455 62.920 18.580 9.921 1.00 0.00 WT2 H ATOM 31206 H2 TIP3 4455 63.732 17.615 10.758 1.00 0.00 WT2 H ATOM 31207 OH2 TIP3 4457 82.040 32.246 32.429 1.00 0.00 WT2 O ATOM 31208 H1 TIP3 4457 82.403 33.069 32.757 1.00 0.00 WT2 H ATOM 31209 H2 TIP3 4457 81.166 32.198 32.817 1.00 0.00 WT2 H ATOM 31210 OH2 TIP3 4461 33.869 28.918 46.709 1.00 0.00 WT2 O ATOM 31211 H1 TIP3 4461 34.344 29.712 46.463 1.00 0.00 WT2 H ATOM 31212 H2 TIP3 4461 34.382 28.204 46.330 1.00 0.00 WT2 H ATOM 31213 OH2 TIP3 4473 79.663 86.054 42.998 1.00 0.00 WT2 O ATOM 31214 H1 TIP3 4473 78.890 85.495 43.068 1.00 0.00 WT2 H ATOM 31215 H2 TIP3 4473 80.396 85.442 42.930 1.00 0.00 WT2 H ATOM 31216 OH2 TIP3 4474 75.850 93.440 59.629 1.00 0.00 WT2 O ATOM 31217 H1 TIP3 4474 75.468 94.060 59.009 1.00 0.00 WT2 H ATOM 31218 H2 TIP3 4474 76.369 93.982 60.223 1.00 0.00 WT2 H ATOM 31219 OH2 TIP3 4477 51.829 92.297 -17.187 1.00 0.00 WT2 O ATOM 31220 H1 TIP3 4477 51.811 91.931 -18.071 1.00 0.00 WT2 H ATOM 31221 H2 TIP3 4477 51.701 91.543 -16.611 1.00 0.00 WT2 H ATOM 31222 OH2 TIP3 4478 59.211 62.443 64.996 1.00 0.00 WT2 O ATOM 31223 H1 TIP3 4478 59.908 61.957 65.437 1.00 0.00 WT2 H ATOM 31224 H2 TIP3 4478 58.609 61.768 64.682 1.00 0.00 WT2 H ATOM 31225 OH2 TIP3 4479 42.411 34.274 40.958 1.00 0.00 WT2 O ATOM 31226 H1 TIP3 4479 42.296 35.218 41.071 1.00 0.00 WT2 H ATOM 31227 H2 TIP3 4479 42.214 34.118 40.034 1.00 0.00 WT2 H ATOM 31228 OH2 TIP3 4480 32.003 95.777 19.825 1.00 0.00 WT2 O ATOM 31229 H1 TIP3 4480 32.477 96.589 19.646 1.00 0.00 WT2 H ATOM 31230 H2 TIP3 4480 32.400 95.439 20.628 1.00 0.00 WT2 H ATOM 31231 OH2 TIP3 4481 67.878 13.897 64.516 1.00 0.00 WT2 O ATOM 31232 H1 TIP3 4481 68.675 14.216 64.091 1.00 0.00 WT2 H ATOM 31233 H2 TIP3 4481 67.815 12.980 64.250 1.00 0.00 WT2 H ATOM 31234 OH2 TIP3 4496 48.127 12.931 -7.338 1.00 0.00 WT2 O ATOM 31235 H1 TIP3 4496 47.938 13.768 -6.914 1.00 0.00 WT2 H ATOM 31236 H2 TIP3 4496 49.066 12.961 -7.520 1.00 0.00 WT2 H ATOM 31237 OH2 TIP3 4497 46.141 49.886 31.486 1.00 0.00 WT2 O ATOM 31238 H1 TIP3 4497 45.903 49.892 30.558 1.00 0.00 WT2 H ATOM 31239 H2 TIP3 4497 45.930 49.001 31.782 1.00 0.00 WT2 H ATOM 31240 OH2 TIP3 4499 82.776 39.341 -3.756 1.00 0.00 WT2 O ATOM 31241 H1 TIP3 4499 82.171 39.701 -3.109 1.00 0.00 WT2 H ATOM 31242 H2 TIP3 4499 83.359 38.774 -3.251 1.00 0.00 WT2 H ATOM 31243 OH2 TIP3 4500 64.401 67.933 59.980 1.00 0.00 WT2 O ATOM 31244 H1 TIP3 4500 65.319 68.092 60.199 1.00 0.00 WT2 H ATOM 31245 H2 TIP3 4500 64.166 67.152 60.479 1.00 0.00 WT2 H ATOM 31246 OH2 TIP3 4501 50.316 52.966 63.537 1.00 0.00 WT2 O ATOM 31247 H1 TIP3 4501 50.495 52.795 64.461 1.00 0.00 WT2 H ATOM 31248 H2 TIP3 4501 49.441 52.606 63.392 1.00 0.00 WT2 H ATOM 31249 OH2 TIP3 4513 29.220 70.840 41.756 1.00 0.00 WT2 O ATOM 31250 H1 TIP3 4513 29.595 71.721 41.746 1.00 0.00 WT2 H ATOM 31251 H2 TIP3 4513 28.321 70.966 42.062 1.00 0.00 WT2 H ATOM 31252 OH2 TIP3 4515 28.888 30.237 45.036 1.00 0.00 WT2 O ATOM 31253 H1 TIP3 4515 29.717 29.918 44.679 1.00 0.00 WT2 H ATOM 31254 H2 TIP3 4515 28.973 31.190 45.024 1.00 0.00 WT2 H ATOM 31255 OH2 TIP3 4516 40.873 36.341 -2.428 1.00 0.00 WT2 O ATOM 31256 H1 TIP3 4516 40.834 37.171 -2.904 1.00 0.00 WT2 H ATOM 31257 H2 TIP3 4516 41.282 36.563 -1.592 1.00 0.00 WT2 H ATOM 31258 OH2 TIP3 4517 31.061 75.966 -4.050 1.00 0.00 WT2 O ATOM 31259 H1 TIP3 4517 30.379 75.653 -4.645 1.00 0.00 WT2 H ATOM 31260 H2 TIP3 4517 31.882 75.729 -4.481 1.00 0.00 WT2 H ATOM 31261 OH2 TIP3 4518 40.467 20.623 38.507 1.00 0.00 WT2 O ATOM 31262 H1 TIP3 4518 40.249 20.210 37.671 1.00 0.00 WT2 H ATOM 31263 H2 TIP3 4518 41.097 21.307 38.279 1.00 0.00 WT2 H ATOM 31264 OH2 TIP3 4519 67.070 45.685 45.488 1.00 0.00 WT2 O ATOM 31265 H1 TIP3 4519 66.666 44.845 45.707 1.00 0.00 WT2 H ATOM 31266 H2 TIP3 4519 67.896 45.687 45.972 1.00 0.00 WT2 H ATOM 31267 OH2 TIP3 4523 30.595 90.965 34.226 1.00 0.00 WT2 O ATOM 31268 H1 TIP3 4523 30.117 91.047 35.051 1.00 0.00 WT2 H ATOM 31269 H2 TIP3 4523 31.405 90.513 34.462 1.00 0.00 WT2 H ATOM 31270 OH2 TIP3 4524 24.878 75.859 44.231 1.00 0.00 WT2 O ATOM 31271 H1 TIP3 4524 24.171 76.077 44.838 1.00 0.00 WT2 H ATOM 31272 H2 TIP3 4524 25.581 76.469 44.453 1.00 0.00 WT2 H ATOM 31273 OH2 TIP3 4536 20.563 45.892 46.758 1.00 0.00 WT2 O ATOM 31274 H1 TIP3 4536 21.481 46.150 46.838 1.00 0.00 WT2 H ATOM 31275 H2 TIP3 4536 20.584 44.935 46.740 1.00 0.00 WT2 H ATOM 31276 OH2 TIP3 4537 85.176 91.317 42.420 1.00 0.00 WT2 O ATOM 31277 H1 TIP3 4537 85.572 90.457 42.560 1.00 0.00 WT2 H ATOM 31278 H2 TIP3 4537 85.195 91.734 43.282 1.00 0.00 WT2 H ATOM 31279 OH2 TIP3 4538 79.770 44.337 54.925 1.00 0.00 WT2 O ATOM 31280 H1 TIP3 4538 79.143 43.952 54.313 1.00 0.00 WT2 H ATOM 31281 H2 TIP3 4538 79.561 45.271 54.928 1.00 0.00 WT2 H ATOM 31282 OH2 TIP3 4540 65.306 37.196 52.154 1.00 0.00 WT2 O ATOM 31283 H1 TIP3 4540 64.722 37.100 52.906 1.00 0.00 WT2 H ATOM 31284 H2 TIP3 4540 65.366 36.316 51.782 1.00 0.00 WT2 H ATOM 31285 OH2 TIP3 4544 87.766 31.632 10.807 1.00 0.00 WT2 O ATOM 31286 H1 TIP3 4544 88.431 31.022 11.127 1.00 0.00 WT2 H ATOM 31287 H2 TIP3 4544 87.518 32.143 11.577 1.00 0.00 WT2 H ATOM 31288 OH2 TIP3 4553 22.759 77.780 50.096 1.00 0.00 WT2 O ATOM 31289 H1 TIP3 4553 23.416 77.757 50.791 1.00 0.00 WT2 H ATOM 31290 H2 TIP3 4553 21.922 77.826 50.558 1.00 0.00 WT2 H ATOM 31291 OH2 TIP3 4558 55.583 61.443 -3.007 1.00 0.00 WT2 O ATOM 31292 H1 TIP3 4558 54.999 60.870 -2.510 1.00 0.00 WT2 H ATOM 31293 H2 TIP3 4558 56.093 61.903 -2.341 1.00 0.00 WT2 H ATOM 31294 OH2 TIP3 4559 28.729 16.248 24.478 1.00 0.00 WT2 O ATOM 31295 H1 TIP3 4559 28.156 16.672 23.839 1.00 0.00 WT2 H ATOM 31296 H2 TIP3 4559 29.595 16.618 24.306 1.00 0.00 WT2 H ATOM 31297 OH2 TIP3 4560 45.854 36.723 27.678 1.00 0.00 WT2 O ATOM 31298 H1 TIP3 4560 45.720 36.635 26.734 1.00 0.00 WT2 H ATOM 31299 H2 TIP3 4560 44.977 36.875 28.031 1.00 0.00 WT2 H ATOM 31300 OH2 TIP3 4561 42.464 87.998 0.755 1.00 0.00 WT2 O ATOM 31301 H1 TIP3 4561 42.381 88.003 1.709 1.00 0.00 WT2 H ATOM 31302 H2 TIP3 4561 42.340 87.082 0.508 1.00 0.00 WT2 H ATOM 31303 OH2 TIP3 4562 63.722 13.186 34.195 1.00 0.00 WT2 O ATOM 31304 H1 TIP3 4562 63.109 13.881 33.957 1.00 0.00 WT2 H ATOM 31305 H2 TIP3 4562 63.844 13.286 35.139 1.00 0.00 WT2 H ATOM 31306 OH2 TIP3 4563 72.986 93.966 -13.363 1.00 0.00 WT2 O ATOM 31307 H1 TIP3 4563 73.789 94.122 -12.866 1.00 0.00 WT2 H ATOM 31308 H2 TIP3 4563 73.242 93.346 -14.045 1.00 0.00 WT2 H ATOM 31309 OH2 TIP3 4565 89.192 36.528 37.546 1.00 0.00 WT2 O ATOM 31310 H1 TIP3 4565 88.564 37.155 37.905 1.00 0.00 WT2 H ATOM 31311 H2 TIP3 4565 89.393 36.863 36.672 1.00 0.00 WT2 H ATOM 31312 OH2 TIP3 4569 40.659 48.598 -4.506 1.00 0.00 WT2 O ATOM 31313 H1 TIP3 4569 40.935 48.160 -3.700 1.00 0.00 WT2 H ATOM 31314 H2 TIP3 4569 39.797 48.226 -4.697 1.00 0.00 WT2 H ATOM 31315 OH2 TIP3 4578 63.991 61.783 -12.367 1.00 0.00 WT2 O ATOM 31316 H1 TIP3 4578 64.694 61.137 -12.428 1.00 0.00 WT2 H ATOM 31317 H2 TIP3 4578 63.544 61.574 -11.546 1.00 0.00 WT2 H ATOM 31318 OH2 TIP3 4581 28.991 44.462 38.606 1.00 0.00 WT2 O ATOM 31319 H1 TIP3 4581 29.882 44.761 38.422 1.00 0.00 WT2 H ATOM 31320 H2 TIP3 4581 28.678 45.051 39.292 1.00 0.00 WT2 H ATOM 31321 OH2 TIP3 4582 23.993 86.897 34.863 1.00 0.00 WT2 O ATOM 31322 H1 TIP3 4582 23.592 87.617 35.349 1.00 0.00 WT2 H ATOM 31323 H2 TIP3 4582 23.974 86.157 35.469 1.00 0.00 WT2 H ATOM 31324 OH2 TIP3 4586 65.756 40.467 24.510 1.00 0.00 WT2 O ATOM 31325 H1 TIP3 4586 65.386 40.866 25.298 1.00 0.00 WT2 H ATOM 31326 H2 TIP3 4586 64.995 40.257 23.968 1.00 0.00 WT2 H ATOM 31327 OH2 TIP3 4599 23.497 14.597 -3.823 1.00 0.00 WT2 O ATOM 31328 H1 TIP3 4599 23.950 14.625 -2.980 1.00 0.00 WT2 H ATOM 31329 H2 TIP3 4599 24.044 15.120 -4.408 1.00 0.00 WT2 H ATOM 31330 OH2 TIP3 4600 83.973 45.539 37.249 1.00 0.00 WT2 O ATOM 31331 H1 TIP3 4600 83.429 44.980 36.694 1.00 0.00 WT2 H ATOM 31332 H2 TIP3 4600 83.418 45.743 38.002 1.00 0.00 WT2 H ATOM 31333 OH2 TIP3 4602 35.693 72.331 27.272 1.00 0.00 WT2 O ATOM 31334 H1 TIP3 4602 35.970 71.882 28.072 1.00 0.00 WT2 H ATOM 31335 H2 TIP3 4602 36.488 72.390 26.743 1.00 0.00 WT2 H ATOM 31336 OH2 TIP3 4603 47.065 77.566 51.931 1.00 0.00 WT2 O ATOM 31337 H1 TIP3 4603 47.227 77.584 50.988 1.00 0.00 WT2 H ATOM 31338 H2 TIP3 4603 47.936 77.594 52.325 1.00 0.00 WT2 H ATOM 31339 OH2 TIP3 4621 44.883 15.222 44.729 1.00 0.00 WT2 O ATOM 31340 H1 TIP3 4621 44.280 15.340 43.995 1.00 0.00 WT2 H ATOM 31341 H2 TIP3 4621 45.457 15.988 44.694 1.00 0.00 WT2 H ATOM 31342 OH2 TIP3 4622 21.275 32.247 -14.256 1.00 0.00 WT2 O ATOM 31343 H1 TIP3 4622 20.883 31.406 -14.493 1.00 0.00 WT2 H ATOM 31344 H2 TIP3 4622 22.185 32.036 -14.044 1.00 0.00 WT2 H ATOM 31345 OH2 TIP3 4623 56.634 37.183 -19.067 1.00 0.00 WT2 O ATOM 31346 H1 TIP3 4623 56.956 37.982 -19.484 1.00 0.00 WT2 H ATOM 31347 H2 TIP3 4623 55.731 37.388 -18.822 1.00 0.00 WT2 H ATOM 31348 OH2 TIP3 4625 89.699 24.591 37.522 1.00 0.00 WT2 O ATOM 31349 H1 TIP3 4625 88.956 24.912 37.012 1.00 0.00 WT2 H ATOM 31350 H2 TIP3 4625 90.349 24.338 36.867 1.00 0.00 WT2 H ATOM 31351 OH2 TIP3 4627 45.513 49.537 63.069 1.00 0.00 WT2 O ATOM 31352 H1 TIP3 4627 46.351 49.789 62.681 1.00 0.00 WT2 H ATOM 31353 H2 TIP3 4627 45.429 48.604 62.874 1.00 0.00 WT2 H ATOM 31354 OH2 TIP3 4628 68.820 54.907 14.501 1.00 0.00 WT2 O ATOM 31355 H1 TIP3 4628 68.921 53.966 14.649 1.00 0.00 WT2 H ATOM 31356 H2 TIP3 4628 67.912 55.091 14.739 1.00 0.00 WT2 H ATOM 31357 OH2 TIP3 4641 38.491 50.575 38.511 1.00 0.00 WT2 O ATOM 31358 H1 TIP3 4641 38.247 50.382 39.416 1.00 0.00 WT2 H ATOM 31359 H2 TIP3 4641 38.134 51.448 38.347 1.00 0.00 WT2 H ATOM 31360 OH2 TIP3 4643 25.258 90.152 53.546 1.00 0.00 WT2 O ATOM 31361 H1 TIP3 4643 25.606 89.261 53.523 1.00 0.00 WT2 H ATOM 31362 H2 TIP3 4643 25.739 90.615 52.860 1.00 0.00 WT2 H ATOM 31363 OH2 TIP3 4644 46.355 39.315 33.530 1.00 0.00 WT2 O ATOM 31364 H1 TIP3 4644 46.946 38.600 33.769 1.00 0.00 WT2 H ATOM 31365 H2 TIP3 4644 46.632 39.570 32.649 1.00 0.00 WT2 H ATOM 31366 OH2 TIP3 4645 50.929 58.109 7.057 1.00 0.00 WT2 O ATOM 31367 H1 TIP3 4645 51.306 58.914 7.412 1.00 0.00 WT2 H ATOM 31368 H2 TIP3 4645 51.362 57.407 7.542 1.00 0.00 WT2 H ATOM 31369 OH2 TIP3 4647 47.253 25.084 44.801 1.00 0.00 WT2 O ATOM 31370 H1 TIP3 4647 47.091 25.859 44.263 1.00 0.00 WT2 H ATOM 31371 H2 TIP3 4647 47.312 24.364 44.172 1.00 0.00 WT2 H ATOM 31372 OH2 TIP3 4648 60.057 84.611 60.183 1.00 0.00 WT2 O ATOM 31373 H1 TIP3 4648 59.445 84.051 60.661 1.00 0.00 WT2 H ATOM 31374 H2 TIP3 4648 60.637 83.999 59.729 1.00 0.00 WT2 H ATOM 31375 OH2 TIP3 4661 37.999 50.302 25.378 1.00 0.00 WT2 O ATOM 31376 H1 TIP3 4661 37.793 50.506 24.466 1.00 0.00 WT2 H ATOM 31377 H2 TIP3 4661 38.956 50.293 25.411 1.00 0.00 WT2 H ATOM 31378 OH2 TIP3 4663 25.141 42.658 18.579 1.00 0.00 WT2 O ATOM 31379 H1 TIP3 4663 24.273 42.485 18.943 1.00 0.00 WT2 H ATOM 31380 H2 TIP3 4663 25.553 43.248 19.211 1.00 0.00 WT2 H ATOM 31381 OH2 TIP3 4664 71.730 44.128 39.677 1.00 0.00 WT2 O ATOM 31382 H1 TIP3 4664 72.023 43.217 39.698 1.00 0.00 WT2 H ATOM 31383 H2 TIP3 4664 72.536 44.638 39.598 1.00 0.00 WT2 H ATOM 31384 OH2 TIP3 4665 61.635 30.326 -8.342 1.00 0.00 WT2 O ATOM 31385 H1 TIP3 4665 61.366 30.682 -7.495 1.00 0.00 WT2 H ATOM 31386 H2 TIP3 4665 60.826 29.997 -8.733 1.00 0.00 WT2 H ATOM 31387 OH2 TIP3 4666 75.275 37.714 -1.725 1.00 0.00 WT2 O ATOM 31388 H1 TIP3 4666 74.776 36.905 -1.836 1.00 0.00 WT2 H ATOM 31389 H2 TIP3 4666 76.003 37.633 -2.341 1.00 0.00 WT2 H ATOM 31390 OH2 TIP3 4667 38.970 40.179 -13.453 1.00 0.00 WT2 O ATOM 31391 H1 TIP3 4667 39.678 40.811 -13.577 1.00 0.00 WT2 H ATOM 31392 H2 TIP3 4667 38.186 40.715 -13.337 1.00 0.00 WT2 H ATOM 31393 OH2 TIP3 4668 57.454 94.186 11.131 1.00 0.00 WT2 O ATOM 31394 H1 TIP3 4668 57.355 93.245 10.987 1.00 0.00 WT2 H ATOM 31395 H2 TIP3 4668 57.685 94.537 10.271 1.00 0.00 WT2 H ATOM 31396 OH2 TIP3 4670 78.851 79.974 49.107 1.00 0.00 WT2 O ATOM 31397 H1 TIP3 4670 78.236 79.780 48.400 1.00 0.00 WT2 H ATOM 31398 H2 TIP3 4670 78.499 79.508 49.866 1.00 0.00 WT2 H ATOM 31399 OH2 TIP3 4673 65.316 39.179 41.861 1.00 0.00 WT2 O ATOM 31400 H1 TIP3 4673 64.664 39.434 41.208 1.00 0.00 WT2 H ATOM 31401 H2 TIP3 4673 64.806 38.979 42.646 1.00 0.00 WT2 H ATOM 31402 OH2 TIP3 4675 67.172 46.724 60.907 1.00 0.00 WT2 O ATOM 31403 H1 TIP3 4675 66.378 47.251 60.812 1.00 0.00 WT2 H ATOM 31404 H2 TIP3 4675 67.723 46.988 60.170 1.00 0.00 WT2 H ATOM 31405 OH2 TIP3 4685 56.057 8.101 50.783 1.00 0.00 WT2 O ATOM 31406 H1 TIP3 4685 55.581 8.524 50.068 1.00 0.00 WT2 H ATOM 31407 H2 TIP3 4685 56.277 8.816 51.381 1.00 0.00 WT2 H ATOM 31408 OH2 TIP3 4686 81.408 46.121 4.185 1.00 0.00 WT2 O ATOM 31409 H1 TIP3 4686 81.092 46.410 5.042 1.00 0.00 WT2 H ATOM 31410 H2 TIP3 4686 80.972 46.700 3.561 1.00 0.00 WT2 H ATOM 31411 OH2 TIP3 4687 64.374 9.288 -5.469 1.00 0.00 WT2 O ATOM 31412 H1 TIP3 4687 64.204 9.077 -6.387 1.00 0.00 WT2 H ATOM 31413 H2 TIP3 4687 64.628 10.211 -5.479 1.00 0.00 WT2 H ATOM 31414 OH2 TIP3 4690 87.531 91.531 6.658 1.00 0.00 WT2 O ATOM 31415 H1 TIP3 4690 87.856 90.631 6.695 1.00 0.00 WT2 H ATOM 31416 H2 TIP3 4690 88.321 92.069 6.594 1.00 0.00 WT2 H ATOM 31417 OH2 TIP3 4694 23.410 21.885 0.128 1.00 0.00 WT2 O ATOM 31418 H1 TIP3 4694 23.020 22.333 0.879 1.00 0.00 WT2 H ATOM 31419 H2 TIP3 4694 23.387 22.533 -0.576 1.00 0.00 WT2 H ATOM 31420 OH2 TIP3 4704 55.731 63.913 20.316 1.00 0.00 WT2 O ATOM 31421 H1 TIP3 4704 56.259 64.252 19.593 1.00 0.00 WT2 H ATOM 31422 H2 TIP3 4704 55.146 63.275 19.908 1.00 0.00 WT2 H ATOM 31423 OH2 TIP3 4706 54.031 10.523 -15.969 1.00 0.00 WT2 O ATOM 31424 H1 TIP3 4706 53.258 10.545 -15.405 1.00 0.00 WT2 H ATOM 31425 H2 TIP3 4706 53.937 9.714 -16.472 1.00 0.00 WT2 H ATOM 31426 OH2 TIP3 4707 68.204 42.685 49.426 1.00 0.00 WT2 O ATOM 31427 H1 TIP3 4707 68.658 42.592 48.588 1.00 0.00 WT2 H ATOM 31428 H2 TIP3 4707 67.278 42.746 49.192 1.00 0.00 WT2 H ATOM 31429 OH2 TIP3 4708 86.743 45.127 -16.367 1.00 0.00 WT2 O ATOM 31430 H1 TIP3 4708 85.835 45.354 -16.167 1.00 0.00 WT2 H ATOM 31431 H2 TIP3 4708 86.858 44.252 -15.996 1.00 0.00 WT2 H ATOM 31432 OH2 TIP3 4710 23.601 94.571 -18.806 1.00 0.00 WT2 O ATOM 31433 H1 TIP3 4710 24.471 94.198 -18.662 1.00 0.00 WT2 H ATOM 31434 H2 TIP3 4710 23.005 93.967 -18.363 1.00 0.00 WT2 H ATOM 31435 OH2 TIP3 4713 60.259 48.430 39.967 1.00 0.00 WT2 O ATOM 31436 H1 TIP3 4713 60.890 48.842 40.556 1.00 0.00 WT2 H ATOM 31437 H2 TIP3 4713 59.431 48.873 40.153 1.00 0.00 WT2 H ATOM 31438 OH2 TIP3 4725 21.095 65.638 -7.121 1.00 0.00 WT2 O ATOM 31439 H1 TIP3 4725 22.020 65.850 -7.238 1.00 0.00 WT2 H ATOM 31440 H2 TIP3 4725 21.009 64.746 -7.456 1.00 0.00 WT2 H ATOM 31441 OH2 TIP3 4727 72.393 52.572 -6.437 1.00 0.00 WT2 O ATOM 31442 H1 TIP3 4727 72.466 52.258 -5.535 1.00 0.00 WT2 H ATOM 31443 H2 TIP3 4727 71.465 52.476 -6.650 1.00 0.00 WT2 H ATOM 31444 OH2 TIP3 4732 25.331 44.362 -12.101 1.00 0.00 WT2 O ATOM 31445 H1 TIP3 4732 24.828 45.121 -12.395 1.00 0.00 WT2 H ATOM 31446 H2 TIP3 4732 25.536 44.551 -11.185 1.00 0.00 WT2 H ATOM 31447 OH2 TIP3 4748 68.735 55.878 12.173 1.00 0.00 WT2 O ATOM 31448 H1 TIP3 4748 67.802 55.761 11.994 1.00 0.00 WT2 H ATOM 31449 H2 TIP3 4748 68.870 55.458 13.023 1.00 0.00 WT2 H ATOM 31450 OH2 TIP3 4750 38.801 56.179 63.612 1.00 0.00 WT2 O ATOM 31451 H1 TIP3 4750 38.038 55.904 63.105 1.00 0.00 WT2 H ATOM 31452 H2 TIP3 4750 38.785 57.135 63.571 1.00 0.00 WT2 H ATOM 31453 OH2 TIP3 4751 41.389 53.516 32.547 1.00 0.00 WT2 O ATOM 31454 H1 TIP3 4751 40.661 54.123 32.681 1.00 0.00 WT2 H ATOM 31455 H2 TIP3 4751 42.116 54.072 32.266 1.00 0.00 WT2 H ATOM 31456 OH2 TIP3 4767 25.284 57.642 0.334 1.00 0.00 WT2 O ATOM 31457 H1 TIP3 4767 25.521 57.581 -0.591 1.00 0.00 WT2 H ATOM 31458 H2 TIP3 4767 25.949 57.124 0.788 1.00 0.00 WT2 H ATOM 31459 OH2 TIP3 4768 58.004 75.118 56.116 1.00 0.00 WT2 O ATOM 31460 H1 TIP3 4768 57.292 75.530 56.604 1.00 0.00 WT2 H ATOM 31461 H2 TIP3 4768 58.181 75.721 55.394 1.00 0.00 WT2 H ATOM 31462 OH2 TIP3 4770 45.771 13.814 2.686 1.00 0.00 WT2 O ATOM 31463 H1 TIP3 4770 44.927 13.364 2.684 1.00 0.00 WT2 H ATOM 31464 H2 TIP3 4770 45.555 14.727 2.877 1.00 0.00 WT2 H ATOM 31465 OH2 TIP3 4774 52.357 55.533 48.440 1.00 0.00 WT2 O ATOM 31466 H1 TIP3 4774 52.238 56.417 48.092 1.00 0.00 WT2 H ATOM 31467 H2 TIP3 4774 52.462 54.982 47.664 1.00 0.00 WT2 H ATOM 31468 OH2 TIP3 4787 30.833 25.793 52.668 1.00 0.00 WT2 O ATOM 31469 H1 TIP3 4787 30.150 25.297 52.215 1.00 0.00 WT2 H ATOM 31470 H2 TIP3 4787 30.461 26.668 52.776 1.00 0.00 WT2 H ATOM 31471 OH2 TIP3 4790 84.416 85.842 45.500 1.00 0.00 WT2 O ATOM 31472 H1 TIP3 4790 83.623 85.382 45.779 1.00 0.00 WT2 H ATOM 31473 H2 TIP3 4790 84.400 85.789 44.545 1.00 0.00 WT2 H ATOM 31474 OH2 TIP3 4791 33.716 5.339 53.415 1.00 0.00 WT2 O ATOM 31475 H1 TIP3 4791 34.577 5.655 53.688 1.00 0.00 WT2 H ATOM 31476 H2 TIP3 4791 33.658 5.571 52.488 1.00 0.00 WT2 H ATOM 31477 OH2 TIP3 4792 48.985 66.604 -15.087 1.00 0.00 WT2 O ATOM 31478 H1 TIP3 4792 48.731 66.240 -14.239 1.00 0.00 WT2 H ATOM 31479 H2 TIP3 4792 48.371 66.213 -15.709 1.00 0.00 WT2 H ATOM 31480 OH2 TIP3 4793 21.594 83.705 57.031 1.00 0.00 WT2 O ATOM 31481 H1 TIP3 4793 21.111 82.879 56.988 1.00 0.00 WT2 H ATOM 31482 H2 TIP3 4793 21.923 83.744 57.928 1.00 0.00 WT2 H ATOM 31483 OH2 TIP3 4794 61.867 27.853 44.976 1.00 0.00 WT2 O ATOM 31484 H1 TIP3 4794 62.291 27.256 44.359 1.00 0.00 WT2 H ATOM 31485 H2 TIP3 4794 62.463 27.888 45.724 1.00 0.00 WT2 H ATOM 31486 OH2 TIP3 4808 46.130 49.762 46.287 1.00 0.00 WT2 O ATOM 31487 H1 TIP3 4808 47.019 49.708 45.937 1.00 0.00 WT2 H ATOM 31488 H2 TIP3 4808 46.222 50.259 47.100 1.00 0.00 WT2 H ATOM 31489 OH2 TIP3 4809 53.512 66.245 47.232 1.00 0.00 WT2 O ATOM 31490 H1 TIP3 4809 53.153 66.262 46.345 1.00 0.00 WT2 H ATOM 31491 H2 TIP3 4809 54.139 65.521 47.223 1.00 0.00 WT2 H ATOM 31492 OH2 TIP3 4811 41.070 68.878 -10.881 1.00 0.00 WT2 O ATOM 31493 H1 TIP3 4811 40.322 68.353 -10.595 1.00 0.00 WT2 H ATOM 31494 H2 TIP3 4811 40.876 69.761 -10.568 1.00 0.00 WT2 H ATOM 31495 OH2 TIP3 4813 33.368 89.697 58.832 1.00 0.00 WT2 O ATOM 31496 H1 TIP3 4813 32.905 89.575 59.660 1.00 0.00 WT2 H ATOM 31497 H2 TIP3 4813 33.256 88.865 58.370 1.00 0.00 WT2 H ATOM 31498 OH2 TIP3 4816 79.810 41.661 6.620 1.00 0.00 WT2 O ATOM 31499 H1 TIP3 4816 79.124 42.228 6.973 1.00 0.00 WT2 H ATOM 31500 H2 TIP3 4816 80.293 42.220 6.010 1.00 0.00 WT2 H ATOM 31501 OH2 TIP3 4832 75.401 61.653 57.913 1.00 0.00 WT2 O ATOM 31502 H1 TIP3 4832 76.155 61.292 57.448 1.00 0.00 WT2 H ATOM 31503 H2 TIP3 4832 74.853 62.031 57.224 1.00 0.00 WT2 H ATOM 31504 OH2 TIP3 4834 48.255 21.405 29.885 1.00 0.00 WT2 O ATOM 31505 H1 TIP3 4834 47.426 21.879 29.943 1.00 0.00 WT2 H ATOM 31506 H2 TIP3 4834 48.590 21.612 29.012 1.00 0.00 WT2 H ATOM 31507 OH2 TIP3 4835 29.072 9.518 -5.765 1.00 0.00 WT2 O ATOM 31508 H1 TIP3 4835 29.981 9.790 -5.892 1.00 0.00 WT2 H ATOM 31509 H2 TIP3 4835 28.855 9.810 -4.880 1.00 0.00 WT2 H ATOM 31510 OH2 TIP3 4836 24.466 89.587 12.534 1.00 0.00 WT2 O ATOM 31511 H1 TIP3 4836 24.127 89.179 11.737 1.00 0.00 WT2 H ATOM 31512 H2 TIP3 4836 23.687 89.785 13.053 1.00 0.00 WT2 H ATOM 31513 OH2 TIP3 4839 40.887 19.720 52.888 1.00 0.00 WT2 O ATOM 31514 H1 TIP3 4839 40.627 20.522 52.436 1.00 0.00 WT2 H ATOM 31515 H2 TIP3 4839 40.114 19.158 52.845 1.00 0.00 WT2 H ATOM 31516 OH2 TIP3 4841 72.673 55.282 50.346 1.00 0.00 WT2 O ATOM 31517 H1 TIP3 4841 72.537 54.418 50.735 1.00 0.00 WT2 H ATOM 31518 H2 TIP3 4841 71.844 55.482 49.910 1.00 0.00 WT2 H ATOM 31519 OH2 TIP3 4849 90.546 11.079 34.356 1.00 0.00 WT2 O ATOM 31520 H1 TIP3 4849 89.663 11.372 34.583 1.00 0.00 WT2 H ATOM 31521 H2 TIP3 4849 90.998 11.875 34.076 1.00 0.00 WT2 H ATOM 31522 OH2 TIP3 4851 34.817 33.276 33.235 1.00 0.00 WT2 O ATOM 31523 H1 TIP3 4851 35.299 33.209 34.059 1.00 0.00 WT2 H ATOM 31524 H2 TIP3 4851 34.494 34.177 33.218 1.00 0.00 WT2 H ATOM 31525 OH2 TIP3 4853 50.174 3.668 58.135 1.00 0.00 WT2 O ATOM 31526 H1 TIP3 4853 49.727 2.823 58.185 1.00 0.00 WT2 H ATOM 31527 H2 TIP3 4853 51.067 3.485 58.426 1.00 0.00 WT2 H ATOM 31528 OH2 TIP3 4854 55.242 92.849 32.578 1.00 0.00 WT2 O ATOM 31529 H1 TIP3 4854 54.337 92.787 32.884 1.00 0.00 WT2 H ATOM 31530 H2 TIP3 4854 55.735 93.141 33.346 1.00 0.00 WT2 H ATOM 31531 OH2 TIP3 4855 24.316 81.495 -12.991 1.00 0.00 WT2 O ATOM 31532 H1 TIP3 4855 25.176 81.267 -12.638 1.00 0.00 WT2 H ATOM 31533 H2 TIP3 4855 23.779 80.719 -12.834 1.00 0.00 WT2 H ATOM 31534 OH2 TIP3 4857 68.058 1.947 51.156 1.00 0.00 WT2 O ATOM 31535 H1 TIP3 4857 67.350 1.465 51.583 1.00 0.00 WT2 H ATOM 31536 H2 TIP3 4857 67.734 2.846 51.094 1.00 0.00 WT2 H ATOM 31537 OH2 TIP3 4859 35.406 33.566 -7.651 1.00 0.00 WT2 O ATOM 31538 H1 TIP3 4859 34.587 33.559 -8.147 1.00 0.00 WT2 H ATOM 31539 H2 TIP3 4859 35.139 33.746 -6.750 1.00 0.00 WT2 H ATOM 31540 OH2 TIP3 4863 79.780 5.016 64.671 1.00 0.00 WT2 O ATOM 31541 H1 TIP3 4863 79.495 5.210 65.564 1.00 0.00 WT2 H ATOM 31542 H2 TIP3 4863 80.503 5.623 64.512 1.00 0.00 WT2 H ATOM 31543 OH2 TIP3 4872 34.027 18.685 -16.056 1.00 0.00 WT2 O ATOM 31544 H1 TIP3 4872 33.799 17.992 -15.436 1.00 0.00 WT2 H ATOM 31545 H2 TIP3 4872 33.195 19.113 -16.255 1.00 0.00 WT2 H ATOM 31546 OH2 TIP3 4875 45.313 91.580 -11.966 1.00 0.00 WT2 O ATOM 31547 H1 TIP3 4875 44.917 92.326 -12.418 1.00 0.00 WT2 H ATOM 31548 H2 TIP3 4875 44.761 91.446 -11.196 1.00 0.00 WT2 H ATOM 31549 OH2 TIP3 4876 80.385 94.020 -7.884 1.00 0.00 WT2 O ATOM 31550 H1 TIP3 4876 79.588 94.475 -8.157 1.00 0.00 WT2 H ATOM 31551 H2 TIP3 4876 80.517 94.291 -6.975 1.00 0.00 WT2 H ATOM 31552 OH2 TIP3 4877 70.921 77.435 -11.309 1.00 0.00 WT2 O ATOM 31553 H1 TIP3 4877 70.369 77.809 -11.996 1.00 0.00 WT2 H ATOM 31554 H2 TIP3 4877 70.571 76.555 -11.173 1.00 0.00 WT2 H ATOM 31555 OH2 TIP3 4879 88.015 38.789 51.462 1.00 0.00 WT2 O ATOM 31556 H1 TIP3 4879 88.250 39.673 51.744 1.00 0.00 WT2 H ATOM 31557 H2 TIP3 4879 87.237 38.572 51.975 1.00 0.00 WT2 H ATOM 31558 OH2 TIP3 4890 86.347 45.254 58.574 1.00 0.00 WT2 O ATOM 31559 H1 TIP3 4890 86.214 45.194 59.520 1.00 0.00 WT2 H ATOM 31560 H2 TIP3 4890 86.108 44.389 58.242 1.00 0.00 WT2 H ATOM 31561 OH2 TIP3 4896 39.531 86.986 -1.231 1.00 0.00 WT2 O ATOM 31562 H1 TIP3 4896 39.214 87.884 -1.138 1.00 0.00 WT2 H ATOM 31563 H2 TIP3 4896 40.468 87.079 -1.405 1.00 0.00 WT2 H ATOM 31564 OH2 TIP3 4897 74.915 31.273 14.321 1.00 0.00 WT2 O ATOM 31565 H1 TIP3 4897 75.524 31.710 14.916 1.00 0.00 WT2 H ATOM 31566 H2 TIP3 4897 74.069 31.319 14.766 1.00 0.00 WT2 H ATOM 31567 OH2 TIP3 4898 68.222 42.291 39.615 1.00 0.00 WT2 O ATOM 31568 H1 TIP3 4898 68.035 41.786 40.406 1.00 0.00 WT2 H ATOM 31569 H2 TIP3 4898 68.446 43.165 39.936 1.00 0.00 WT2 H ATOM 31570 OH2 TIP3 4899 42.767 79.560 42.223 1.00 0.00 WT2 O ATOM 31571 H1 TIP3 4899 42.608 79.857 41.327 1.00 0.00 WT2 H ATOM 31572 H2 TIP3 4899 42.869 78.611 42.147 1.00 0.00 WT2 H ATOM 31573 OH2 TIP3 4904 35.689 22.141 -9.837 1.00 0.00 WT2 O ATOM 31574 H1 TIP3 4904 36.403 22.617 -9.411 1.00 0.00 WT2 H ATOM 31575 H2 TIP3 4904 35.571 22.586 -10.676 1.00 0.00 WT2 H ATOM 31576 OH2 TIP3 4914 24.070 77.575 19.027 1.00 0.00 WT2 O ATOM 31577 H1 TIP3 4914 23.383 77.491 18.366 1.00 0.00 WT2 H ATOM 31578 H2 TIP3 4914 23.709 77.148 19.804 1.00 0.00 WT2 H ATOM 31579 OH2 TIP3 4915 24.260 11.739 -19.832 1.00 0.00 WT2 O ATOM 31580 H1 TIP3 4915 24.884 11.022 -19.949 1.00 0.00 WT2 H ATOM 31581 H2 TIP3 4915 24.152 11.809 -18.884 1.00 0.00 WT2 H ATOM 31582 OH2 TIP3 4916 59.698 47.043 44.328 1.00 0.00 WT2 O ATOM 31583 H1 TIP3 4916 58.810 46.842 44.032 1.00 0.00 WT2 H ATOM 31584 H2 TIP3 4916 60.201 47.152 43.521 1.00 0.00 WT2 H ATOM 31585 OH2 TIP3 4918 71.895 55.899 37.431 1.00 0.00 WT2 O ATOM 31586 H1 TIP3 4918 71.771 56.816 37.189 1.00 0.00 WT2 H ATOM 31587 H2 TIP3 4918 71.035 55.499 37.305 1.00 0.00 WT2 H ATOM 31588 OH2 TIP3 4919 43.374 27.343 50.499 1.00 0.00 WT2 O ATOM 31589 H1 TIP3 4919 43.648 26.600 51.036 1.00 0.00 WT2 H ATOM 31590 H2 TIP3 4919 44.048 27.411 49.822 1.00 0.00 WT2 H ATOM 31591 OH2 TIP3 4921 26.292 79.850 9.111 1.00 0.00 WT2 O ATOM 31592 H1 TIP3 4921 27.093 79.487 9.489 1.00 0.00 WT2 H ATOM 31593 H2 TIP3 4921 25.613 79.659 9.759 1.00 0.00 WT2 H ATOM 31594 OH2 TIP3 4922 75.847 56.624 -13.191 1.00 0.00 WT2 O ATOM 31595 H1 TIP3 4922 76.022 56.398 -12.277 1.00 0.00 WT2 H ATOM 31596 H2 TIP3 4922 75.033 57.126 -13.162 1.00 0.00 WT2 H ATOM 31597 OH2 TIP3 4924 49.442 3.448 -1.004 1.00 0.00 WT2 O ATOM 31598 H1 TIP3 4924 48.881 3.192 -1.737 1.00 0.00 WT2 H ATOM 31599 H2 TIP3 4924 49.365 2.727 -0.380 1.00 0.00 WT2 H ATOM 31600 OH2 TIP3 4934 86.103 40.365 60.790 1.00 0.00 WT2 O ATOM 31601 H1 TIP3 4934 86.626 39.873 61.423 1.00 0.00 WT2 H ATOM 31602 H2 TIP3 4934 86.747 40.785 60.220 1.00 0.00 WT2 H ATOM 31603 OH2 TIP3 4935 29.594 47.881 -3.032 1.00 0.00 WT2 O ATOM 31604 H1 TIP3 4935 29.213 48.209 -3.846 1.00 0.00 WT2 H ATOM 31605 H2 TIP3 4935 29.144 47.051 -2.873 1.00 0.00 WT2 H ATOM 31606 OH2 TIP3 4936 40.059 93.775 -12.339 1.00 0.00 WT2 O ATOM 31607 H1 TIP3 4936 39.929 93.364 -13.194 1.00 0.00 WT2 H ATOM 31608 H2 TIP3 4936 40.629 93.168 -11.866 1.00 0.00 WT2 H ATOM 31609 OH2 TIP3 4937 59.002 28.729 -14.871 1.00 0.00 WT2 O ATOM 31610 H1 TIP3 4937 58.156 28.559 -14.457 1.00 0.00 WT2 H ATOM 31611 H2 TIP3 4937 58.873 29.544 -15.355 1.00 0.00 WT2 H ATOM 31612 OH2 TIP3 4939 54.019 14.764 29.514 1.00 0.00 WT2 O ATOM 31613 H1 TIP3 4939 54.375 14.773 28.626 1.00 0.00 WT2 H ATOM 31614 H2 TIP3 4939 53.074 14.674 29.393 1.00 0.00 WT2 H ATOM 31615 OH2 TIP3 4942 37.381 81.035 54.642 1.00 0.00 WT2 O ATOM 31616 H1 TIP3 4942 37.884 81.635 55.192 1.00 0.00 WT2 H ATOM 31617 H2 TIP3 4942 37.478 81.383 53.755 1.00 0.00 WT2 H ATOM 31618 OH2 TIP3 4956 51.904 89.526 57.523 1.00 0.00 WT2 O ATOM 31619 H1 TIP3 4956 52.336 90.344 57.768 1.00 0.00 WT2 H ATOM 31620 H2 TIP3 4956 52.150 89.389 56.608 1.00 0.00 WT2 H ATOM 31621 OH2 TIP3 4957 35.416 50.619 65.561 1.00 0.00 WT2 O ATOM 31622 H1 TIP3 4957 34.755 50.784 64.888 1.00 0.00 WT2 H ATOM 31623 H2 TIP3 4957 35.922 51.430 65.604 1.00 0.00 WT2 H ATOM 31624 OH2 TIP3 4962 87.372 47.713 43.171 1.00 0.00 WT2 O ATOM 31625 H1 TIP3 4962 86.617 47.663 43.757 1.00 0.00 WT2 H ATOM 31626 H2 TIP3 4962 86.996 47.889 42.309 1.00 0.00 WT2 H ATOM 31627 OH2 TIP3 4963 58.332 54.547 51.614 1.00 0.00 WT2 O ATOM 31628 H1 TIP3 4963 58.486 54.762 50.694 1.00 0.00 WT2 H ATOM 31629 H2 TIP3 4963 57.600 55.105 51.872 1.00 0.00 WT2 H ATOM 31630 OH2 TIP3 4965 39.765 19.833 34.838 1.00 0.00 WT2 O ATOM 31631 H1 TIP3 4965 39.719 20.153 33.938 1.00 0.00 WT2 H ATOM 31632 H2 TIP3 4965 40.154 18.961 34.763 1.00 0.00 WT2 H ATOM 31633 OH2 TIP3 4978 53.086 30.809 -18.088 1.00 0.00 WT2 O ATOM 31634 H1 TIP3 4978 52.963 30.064 -18.676 1.00 0.00 WT2 H ATOM 31635 H2 TIP3 4978 52.262 30.874 -17.606 1.00 0.00 WT2 H ATOM 31636 OH2 TIP3 4980 82.231 29.184 -13.107 1.00 0.00 WT2 O ATOM 31637 H1 TIP3 4980 81.934 29.764 -12.406 1.00 0.00 WT2 H ATOM 31638 H2 TIP3 4980 81.465 28.647 -13.314 1.00 0.00 WT2 H ATOM 31639 OH2 TIP3 4981 48.943 88.412 -11.439 1.00 0.00 WT2 O ATOM 31640 H1 TIP3 4981 48.355 88.953 -11.966 1.00 0.00 WT2 H ATOM 31641 H2 TIP3 4981 48.360 87.835 -10.945 1.00 0.00 WT2 H ATOM 31642 OH2 TIP3 4982 47.562 63.117 7.520 1.00 0.00 WT2 O ATOM 31643 H1 TIP3 4982 47.228 63.498 8.332 1.00 0.00 WT2 H ATOM 31644 H2 TIP3 4982 48.466 62.876 7.722 1.00 0.00 WT2 H ATOM 31645 OH2 TIP3 4983 74.508 28.841 48.793 1.00 0.00 WT2 O ATOM 31646 H1 TIP3 4983 75.089 28.266 48.295 1.00 0.00 WT2 H ATOM 31647 H2 TIP3 4983 73.631 28.493 48.631 1.00 0.00 WT2 H ATOM 31648 OH2 TIP3 4985 50.106 20.891 32.838 1.00 0.00 WT2 O ATOM 31649 H1 TIP3 4985 50.764 20.199 32.900 1.00 0.00 WT2 H ATOM 31650 H2 TIP3 4985 50.044 21.080 31.902 1.00 0.00 WT2 H ATOM 31651 OH2 TIP3 4996 43.743 87.320 -5.729 1.00 0.00 WT2 O ATOM 31652 H1 TIP3 4996 44.194 87.379 -4.887 1.00 0.00 WT2 H ATOM 31653 H2 TIP3 4996 43.373 86.437 -5.742 1.00 0.00 WT2 H ATOM 31654 OH2 TIP3 4998 60.541 10.273 58.866 1.00 0.00 WT2 O ATOM 31655 H1 TIP3 4998 60.870 10.237 59.764 1.00 0.00 WT2 H ATOM 31656 H2 TIP3 4998 59.937 9.533 58.802 1.00 0.00 WT2 H ATOM 31657 OH2 TIP3 4999 42.328 58.759 -17.313 1.00 0.00 WT2 O ATOM 31658 H1 TIP3 4999 42.192 58.508 -16.399 1.00 0.00 WT2 H ATOM 31659 H2 TIP3 4999 43.005 59.434 -17.279 1.00 0.00 WT2 H ATOM 31660 OH2 TIP3 5000 49.867 41.215 -16.281 1.00 0.00 WT2 O ATOM 31661 H1 TIP3 5000 49.608 41.943 -16.846 1.00 0.00 WT2 H ATOM 31662 H2 TIP3 5000 50.736 41.458 -15.961 1.00 0.00 WT2 H ATOM 31663 OH2 TIP3 5001 35.404 68.939 19.559 1.00 0.00 WT2 O ATOM 31664 H1 TIP3 5001 36.094 68.276 19.570 1.00 0.00 WT2 H ATOM 31665 H2 TIP3 5001 34.923 68.799 20.374 1.00 0.00 WT2 H ATOM 31666 OH2 TIP3 5002 69.206 20.859 -11.321 1.00 0.00 WT2 O ATOM 31667 H1 TIP3 5002 69.847 20.393 -10.784 1.00 0.00 WT2 H ATOM 31668 H2 TIP3 5002 69.496 21.771 -11.303 1.00 0.00 WT2 H ATOM 31669 OH2 TIP3 5004 74.611 41.087 33.210 1.00 0.00 WT2 O ATOM 31670 H1 TIP3 5004 75.497 41.251 33.533 1.00 0.00 WT2 H ATOM 31671 H2 TIP3 5004 74.330 41.926 32.844 1.00 0.00 WT2 H ATOM 31672 OH2 TIP3 5005 22.978 26.965 11.292 1.00 0.00 WT2 O ATOM 31673 H1 TIP3 5005 23.029 26.161 11.809 1.00 0.00 WT2 H ATOM 31674 H2 TIP3 5005 23.170 27.665 11.916 1.00 0.00 WT2 H ATOM 31675 OH2 TIP3 5019 67.996 15.478 36.313 1.00 0.00 WT2 O ATOM 31676 H1 TIP3 5019 68.182 15.948 35.501 1.00 0.00 WT2 H ATOM 31677 H2 TIP3 5019 67.111 15.754 36.553 1.00 0.00 WT2 H ATOM 31678 OH2 TIP3 5021 55.887 19.484 46.215 1.00 0.00 WT2 O ATOM 31679 H1 TIP3 5021 55.575 19.461 45.310 1.00 0.00 WT2 H ATOM 31680 H2 TIP3 5021 56.483 18.738 46.282 1.00 0.00 WT2 H ATOM 31681 OH2 TIP3 5023 25.737 41.311 48.658 1.00 0.00 WT2 O ATOM 31682 H1 TIP3 5023 25.099 41.176 49.358 1.00 0.00 WT2 H ATOM 31683 H2 TIP3 5023 25.235 41.201 47.850 1.00 0.00 WT2 H ATOM 31684 OH2 TIP3 5025 67.257 9.256 -6.454 1.00 0.00 WT2 O ATOM 31685 H1 TIP3 5025 67.720 9.314 -5.618 1.00 0.00 WT2 H ATOM 31686 H2 TIP3 5025 67.452 10.082 -6.895 1.00 0.00 WT2 H ATOM 31687 OH2 TIP3 5040 80.559 10.186 52.452 1.00 0.00 WT2 O ATOM 31688 H1 TIP3 5040 80.070 10.819 51.926 1.00 0.00 WT2 H ATOM 31689 H2 TIP3 5040 79.908 9.817 53.049 1.00 0.00 WT2 H ATOM 31690 OH2 TIP3 5043 69.351 34.834 62.168 1.00 0.00 WT2 O ATOM 31691 H1 TIP3 5043 68.569 34.642 61.651 1.00 0.00 WT2 H ATOM 31692 H2 TIP3 5043 69.263 35.758 62.403 1.00 0.00 WT2 H ATOM 31693 OH2 TIP3 5044 28.601 7.385 40.644 1.00 0.00 WT2 O ATOM 31694 H1 TIP3 5044 27.704 7.626 40.413 1.00 0.00 WT2 H ATOM 31695 H2 TIP3 5044 28.601 7.349 41.601 1.00 0.00 WT2 H ATOM 31696 OH2 TIP3 5045 84.180 33.772 35.107 1.00 0.00 WT2 O ATOM 31697 H1 TIP3 5045 84.651 33.845 34.277 1.00 0.00 WT2 H ATOM 31698 H2 TIP3 5045 84.306 32.861 35.375 1.00 0.00 WT2 H ATOM 31699 OH2 TIP3 5049 30.300 26.811 -7.605 1.00 0.00 WT2 O ATOM 31700 H1 TIP3 5049 30.357 27.624 -7.102 1.00 0.00 WT2 H ATOM 31701 H2 TIP3 5049 29.917 27.073 -8.442 1.00 0.00 WT2 H ATOM 31702 OH2 TIP3 5060 69.706 41.595 29.123 1.00 0.00 WT2 O ATOM 31703 H1 TIP3 5060 70.218 40.886 28.734 1.00 0.00 WT2 H ATOM 31704 H2 TIP3 5060 69.322 42.052 28.375 1.00 0.00 WT2 H ATOM 31705 OH2 TIP3 5061 46.628 26.919 35.564 1.00 0.00 WT2 O ATOM 31706 H1 TIP3 5061 46.982 27.677 35.099 1.00 0.00 WT2 H ATOM 31707 H2 TIP3 5061 47.216 26.200 35.333 1.00 0.00 WT2 H ATOM 31708 OH2 TIP3 5062 27.286 56.157 62.717 1.00 0.00 WT2 O ATOM 31709 H1 TIP3 5062 27.991 56.695 62.358 1.00 0.00 WT2 H ATOM 31710 H2 TIP3 5062 26.711 56.780 63.162 1.00 0.00 WT2 H ATOM 31711 OH2 TIP3 5063 86.951 40.969 -1.461 1.00 0.00 WT2 O ATOM 31712 H1 TIP3 5063 86.184 41.424 -1.810 1.00 0.00 WT2 H ATOM 31713 H2 TIP3 5063 87.432 41.643 -0.980 1.00 0.00 WT2 H ATOM 31714 OH2 TIP3 5064 45.188 74.478 60.783 1.00 0.00 WT2 O ATOM 31715 H1 TIP3 5064 44.683 74.095 60.066 1.00 0.00 WT2 H ATOM 31716 H2 TIP3 5064 46.017 74.737 60.381 1.00 0.00 WT2 H ATOM 31717 OH2 TIP3 5067 33.430 9.555 40.584 1.00 0.00 WT2 O ATOM 31718 H1 TIP3 5067 32.811 8.841 40.740 1.00 0.00 WT2 H ATOM 31719 H2 TIP3 5067 32.926 10.205 40.094 1.00 0.00 WT2 H ATOM 31720 OH2 TIP3 5068 83.700 26.988 29.507 1.00 0.00 WT2 O ATOM 31721 H1 TIP3 5068 83.561 27.475 28.694 1.00 0.00 WT2 H ATOM 31722 H2 TIP3 5068 84.650 26.987 29.626 1.00 0.00 WT2 H ATOM 31723 OH2 TIP3 5069 87.364 27.458 18.046 1.00 0.00 WT2 O ATOM 31724 H1 TIP3 5069 87.431 27.322 17.100 1.00 0.00 WT2 H ATOM 31725 H2 TIP3 5069 86.571 26.988 18.301 1.00 0.00 WT2 H ATOM 31726 OH2 TIP3 5085 51.151 43.146 57.264 1.00 0.00 WT2 O ATOM 31727 H1 TIP3 5085 50.857 43.252 58.169 1.00 0.00 WT2 H ATOM 31728 H2 TIP3 5085 51.301 44.039 56.954 1.00 0.00 WT2 H ATOM 31729 OH2 TIP3 5088 23.968 64.574 37.239 1.00 0.00 WT2 O ATOM 31730 H1 TIP3 5088 24.432 65.289 37.674 1.00 0.00 WT2 H ATOM 31731 H2 TIP3 5088 23.082 64.909 37.105 1.00 0.00 WT2 H ATOM 31732 OH2 TIP3 5090 20.979 83.196 11.813 1.00 0.00 WT2 O ATOM 31733 H1 TIP3 5090 20.378 83.135 11.071 1.00 0.00 WT2 H ATOM 31734 H2 TIP3 5090 20.652 82.552 12.442 1.00 0.00 WT2 H ATOM 31735 OH2 TIP3 5091 58.373 47.168 65.481 1.00 0.00 WT2 O ATOM 31736 H1 TIP3 5091 59.098 47.691 65.823 1.00 0.00 WT2 H ATOM 31737 H2 TIP3 5091 57.789 47.806 65.071 1.00 0.00 WT2 H ATOM 31738 OH2 TIP3 5097 42.241 68.915 57.508 1.00 0.00 WT2 O ATOM 31739 H1 TIP3 5097 42.254 69.843 57.742 1.00 0.00 WT2 H ATOM 31740 H2 TIP3 5097 42.856 68.843 56.778 1.00 0.00 WT2 H ATOM 31741 OH2 TIP3 5104 29.123 15.039 42.288 1.00 0.00 WT2 O ATOM 31742 H1 TIP3 5104 29.602 15.780 42.659 1.00 0.00 WT2 H ATOM 31743 H2 TIP3 5104 28.703 14.623 43.041 1.00 0.00 WT2 H ATOM 31744 OH2 TIP3 5106 33.717 39.310 61.127 1.00 0.00 WT2 O ATOM 31745 H1 TIP3 5106 33.263 38.658 61.662 1.00 0.00 WT2 H ATOM 31746 H2 TIP3 5106 34.512 39.514 61.620 1.00 0.00 WT2 H ATOM 31747 OH2 TIP3 5108 90.103 10.932 -17.814 1.00 0.00 WT2 O ATOM 31748 H1 TIP3 5108 90.569 10.155 -18.123 1.00 0.00 WT2 H ATOM 31749 H2 TIP3 5108 89.190 10.775 -18.053 1.00 0.00 WT2 H ATOM 31750 OH2 TIP3 5109 56.864 15.353 29.492 1.00 0.00 WT2 O ATOM 31751 H1 TIP3 5109 56.128 15.708 28.993 1.00 0.00 WT2 H ATOM 31752 H2 TIP3 5109 56.476 15.064 30.318 1.00 0.00 WT2 H ATOM 31753 OH2 TIP3 5110 45.366 14.106 31.227 1.00 0.00 WT2 O ATOM 31754 H1 TIP3 5110 45.348 14.788 30.557 1.00 0.00 WT2 H ATOM 31755 H2 TIP3 5110 45.010 13.332 30.791 1.00 0.00 WT2 H ATOM 31756 OH2 TIP3 5111 41.747 49.580 58.497 1.00 0.00 WT2 O ATOM 31757 H1 TIP3 5111 41.436 50.291 59.057 1.00 0.00 WT2 H ATOM 31758 H2 TIP3 5111 41.150 49.585 57.749 1.00 0.00 WT2 H ATOM 31759 OH2 TIP3 5126 51.543 2.052 26.492 1.00 0.00 WT2 O ATOM 31760 H1 TIP3 5126 51.093 2.611 25.859 1.00 0.00 WT2 H ATOM 31761 H2 TIP3 5126 51.640 1.212 26.043 1.00 0.00 WT2 H ATOM 31762 OH2 TIP3 5127 39.859 41.459 5.123 1.00 0.00 WT2 O ATOM 31763 H1 TIP3 5127 39.753 41.619 6.061 1.00 0.00 WT2 H ATOM 31764 H2 TIP3 5127 39.050 41.019 4.862 1.00 0.00 WT2 H ATOM 31765 OH2 TIP3 5128 80.124 14.384 61.287 1.00 0.00 WT2 O ATOM 31766 H1 TIP3 5128 80.062 15.336 61.210 1.00 0.00 WT2 H ATOM 31767 H2 TIP3 5128 80.856 14.239 61.886 1.00 0.00 WT2 H ATOM 31768 OH2 TIP3 5129 88.779 34.672 14.767 1.00 0.00 WT2 O ATOM 31769 H1 TIP3 5129 88.124 35.341 14.967 1.00 0.00 WT2 H ATOM 31770 H2 TIP3 5129 88.355 33.845 14.996 1.00 0.00 WT2 H ATOM 31771 OH2 TIP3 5130 20.843 34.051 61.118 1.00 0.00 WT2 O ATOM 31772 H1 TIP3 5130 20.808 33.660 60.245 1.00 0.00 WT2 H ATOM 31773 H2 TIP3 5130 21.126 33.337 61.690 1.00 0.00 WT2 H ATOM 31774 OH2 TIP3 5131 40.782 47.349 -1.752 1.00 0.00 WT2 O ATOM 31775 H1 TIP3 5131 40.986 47.695 -0.884 1.00 0.00 WT2 H ATOM 31776 H2 TIP3 5131 41.559 46.846 -1.998 1.00 0.00 WT2 H ATOM 31777 OH2 TIP3 5132 23.946 55.600 24.763 1.00 0.00 WT2 O ATOM 31778 H1 TIP3 5132 24.466 55.493 23.967 1.00 0.00 WT2 H ATOM 31779 H2 TIP3 5132 23.401 56.368 24.593 1.00 0.00 WT2 H ATOM 31780 OH2 TIP3 5133 51.339 67.835 -15.774 1.00 0.00 WT2 O ATOM 31781 H1 TIP3 5133 50.401 67.904 -15.595 1.00 0.00 WT2 H ATOM 31782 H2 TIP3 5133 51.744 67.786 -14.908 1.00 0.00 WT2 H ATOM 31783 OH2 TIP3 5134 24.999 20.650 5.019 1.00 0.00 WT2 O ATOM 31784 H1 TIP3 5134 25.122 21.587 5.169 1.00 0.00 WT2 H ATOM 31785 H2 TIP3 5134 25.379 20.232 5.792 1.00 0.00 WT2 H ATOM 31786 OH2 TIP3 5146 52.185 45.805 41.482 1.00 0.00 WT2 O ATOM 31787 H1 TIP3 5146 51.673 45.267 42.086 1.00 0.00 WT2 H ATOM 31788 H2 TIP3 5146 52.427 45.206 40.775 1.00 0.00 WT2 H ATOM 31789 OH2 TIP3 5148 63.465 58.513 65.293 1.00 0.00 WT2 O ATOM 31790 H1 TIP3 5148 62.510 58.497 65.226 1.00 0.00 WT2 H ATOM 31791 H2 TIP3 5148 63.713 59.382 64.977 1.00 0.00 WT2 H ATOM 31792 OH2 TIP3 5149 72.681 26.770 66.137 1.00 0.00 WT2 O ATOM 31793 H1 TIP3 5149 72.258 26.647 65.287 1.00 0.00 WT2 H ATOM 31794 H2 TIP3 5149 71.969 27.021 66.726 1.00 0.00 WT2 H ATOM 31795 OH2 TIP3 5151 34.248 6.957 47.572 1.00 0.00 WT2 O ATOM 31796 H1 TIP3 5151 34.902 6.575 48.158 1.00 0.00 WT2 H ATOM 31797 H2 TIP3 5151 34.194 6.342 46.840 1.00 0.00 WT2 H ATOM 31798 OH2 TIP3 5152 72.287 51.979 7.948 1.00 0.00 WT2 O ATOM 31799 H1 TIP3 5152 72.258 52.917 8.136 1.00 0.00 WT2 H ATOM 31800 H2 TIP3 5152 73.221 51.776 7.882 1.00 0.00 WT2 H ATOM 31801 OH2 TIP3 5156 47.121 93.257 45.201 1.00 0.00 WT2 O ATOM 31802 H1 TIP3 5156 47.500 93.135 44.330 1.00 0.00 WT2 H ATOM 31803 H2 TIP3 5156 47.842 93.075 45.804 1.00 0.00 WT2 H ATOM 31804 OH2 TIP3 5162 56.536 91.881 0.416 1.00 0.00 WT2 O ATOM 31805 H1 TIP3 5162 55.826 91.279 0.193 1.00 0.00 WT2 H ATOM 31806 H2 TIP3 5162 56.342 92.158 1.311 1.00 0.00 WT2 H ATOM 31807 OH2 TIP3 5164 39.015 21.232 -13.930 1.00 0.00 WT2 O ATOM 31808 H1 TIP3 5164 38.437 20.683 -13.400 1.00 0.00 WT2 H ATOM 31809 H2 TIP3 5164 38.451 21.937 -14.249 1.00 0.00 WT2 H ATOM 31810 OH2 TIP3 5165 75.901 30.234 31.724 1.00 0.00 WT2 O ATOM 31811 H1 TIP3 5165 76.639 29.628 31.782 1.00 0.00 WT2 H ATOM 31812 H2 TIP3 5165 75.625 30.365 32.631 1.00 0.00 WT2 H ATOM 31813 OH2 TIP3 5166 32.677 11.373 1.605 1.00 0.00 WT2 O ATOM 31814 H1 TIP3 5166 31.824 10.982 1.794 1.00 0.00 WT2 H ATOM 31815 H2 TIP3 5166 33.008 10.876 0.857 1.00 0.00 WT2 H ATOM 31816 OH2 TIP3 5172 52.083 34.441 51.387 1.00 0.00 WT2 O ATOM 31817 H1 TIP3 5172 51.516 35.212 51.425 1.00 0.00 WT2 H ATOM 31818 H2 TIP3 5172 52.929 34.780 51.096 1.00 0.00 WT2 H ATOM 31819 OH2 TIP3 5173 73.852 35.219 -1.823 1.00 0.00 WT2 O ATOM 31820 H1 TIP3 5173 72.929 35.315 -1.587 1.00 0.00 WT2 H ATOM 31821 H2 TIP3 5173 74.173 34.518 -1.256 1.00 0.00 WT2 H ATOM 31822 OH2 TIP3 5186 55.717 73.239 54.646 1.00 0.00 WT2 O ATOM 31823 H1 TIP3 5186 55.663 72.284 54.659 1.00 0.00 WT2 H ATOM 31824 H2 TIP3 5186 55.162 73.521 55.373 1.00 0.00 WT2 H ATOM 31825 OH2 TIP3 5189 60.172 46.411 1.747 1.00 0.00 WT2 O ATOM 31826 H1 TIP3 5189 60.375 46.981 2.489 1.00 0.00 WT2 H ATOM 31827 H2 TIP3 5189 59.964 45.565 2.144 1.00 0.00 WT2 H ATOM 31828 OH2 TIP3 5190 23.099 29.742 -13.982 1.00 0.00 WT2 O ATOM 31829 H1 TIP3 5190 22.379 29.914 -13.375 1.00 0.00 WT2 H ATOM 31830 H2 TIP3 5190 23.862 30.145 -13.568 1.00 0.00 WT2 H ATOM 31831 OH2 TIP3 5191 52.102 11.892 47.594 1.00 0.00 WT2 O ATOM 31832 H1 TIP3 5191 51.995 10.943 47.542 1.00 0.00 WT2 H ATOM 31833 H2 TIP3 5191 51.239 12.244 47.377 1.00 0.00 WT2 H ATOM 31834 OH2 TIP3 5193 28.687 55.828 -9.510 1.00 0.00 WT2 O ATOM 31835 H1 TIP3 5193 29.011 54.945 -9.334 1.00 0.00 WT2 H ATOM 31836 H2 TIP3 5193 29.477 56.347 -9.664 1.00 0.00 WT2 H ATOM 31837 OH2 TIP3 5194 89.065 39.607 -4.296 1.00 0.00 WT2 O ATOM 31838 H1 TIP3 5194 90.010 39.453 -4.302 1.00 0.00 WT2 H ATOM 31839 H2 TIP3 5194 88.869 39.932 -5.175 1.00 0.00 WT2 H ATOM 31840 OH2 TIP3 5206 44.925 42.737 55.249 1.00 0.00 WT2 O ATOM 31841 H1 TIP3 5206 44.759 43.156 56.093 1.00 0.00 WT2 H ATOM 31842 H2 TIP3 5206 44.603 43.364 54.602 1.00 0.00 WT2 H ATOM 31843 OH2 TIP3 5211 87.747 63.183 -3.673 1.00 0.00 WT2 O ATOM 31844 H1 TIP3 5211 87.538 62.622 -2.926 1.00 0.00 WT2 H ATOM 31845 H2 TIP3 5211 86.985 63.110 -4.248 1.00 0.00 WT2 H ATOM 31846 OH2 TIP3 5214 45.997 49.721 51.434 1.00 0.00 WT2 O ATOM 31847 H1 TIP3 5214 46.954 49.746 51.400 1.00 0.00 WT2 H ATOM 31848 H2 TIP3 5214 45.763 50.362 52.105 1.00 0.00 WT2 H ATOM 31849 OH2 TIP3 5216 88.443 47.193 48.460 1.00 0.00 WT2 O ATOM 31850 H1 TIP3 5216 89.147 46.818 47.931 1.00 0.00 WT2 H ATOM 31851 H2 TIP3 5216 88.765 47.142 49.360 1.00 0.00 WT2 H ATOM 31852 OH2 TIP3 5230 48.463 56.044 47.817 1.00 0.00 WT2 O ATOM 31853 H1 TIP3 5230 47.595 56.267 48.152 1.00 0.00 WT2 H ATOM 31854 H2 TIP3 5230 48.705 56.787 47.264 1.00 0.00 WT2 H ATOM 31855 OH2 TIP3 5231 71.307 25.266 -5.438 1.00 0.00 WT2 O ATOM 31856 H1 TIP3 5231 71.990 25.936 -5.396 1.00 0.00 WT2 H ATOM 31857 H2 TIP3 5231 71.578 24.691 -6.153 1.00 0.00 WT2 H ATOM 31858 OH2 TIP3 5232 75.762 53.491 -2.707 1.00 0.00 WT2 O ATOM 31859 H1 TIP3 5232 75.049 54.129 -2.727 1.00 0.00 WT2 H ATOM 31860 H2 TIP3 5232 76.360 53.818 -2.035 1.00 0.00 WT2 H ATOM 31861 OH2 TIP3 5234 50.314 17.711 -8.047 1.00 0.00 WT2 O ATOM 31862 H1 TIP3 5234 49.396 17.982 -8.027 1.00 0.00 WT2 H ATOM 31863 H2 TIP3 5234 50.464 17.305 -7.193 1.00 0.00 WT2 H ATOM 31864 OH2 TIP3 5235 80.095 73.200 37.942 1.00 0.00 WT2 O ATOM 31865 H1 TIP3 5235 80.926 72.772 38.145 1.00 0.00 WT2 H ATOM 31866 H2 TIP3 5235 79.907 72.944 37.039 1.00 0.00 WT2 H ATOM 31867 OH2 TIP3 5239 68.308 17.552 54.180 1.00 0.00 WT2 O ATOM 31868 H1 TIP3 5239 68.120 16.710 53.765 1.00 0.00 WT2 H ATOM 31869 H2 TIP3 5239 69.037 17.911 53.673 1.00 0.00 WT2 H ATOM 31870 OH2 TIP3 5241 61.118 57.258 64.262 1.00 0.00 WT2 O ATOM 31871 H1 TIP3 5241 60.603 57.944 63.837 1.00 0.00 WT2 H ATOM 31872 H2 TIP3 5241 60.586 56.986 65.009 1.00 0.00 WT2 H ATOM 31873 OH2 TIP3 5251 44.082 4.277 21.164 1.00 0.00 WT2 O ATOM 31874 H1 TIP3 5251 44.009 4.937 21.852 1.00 0.00 WT2 H ATOM 31875 H2 TIP3 5251 43.211 4.245 20.769 1.00 0.00 WT2 H ATOM 31876 OH2 TIP3 5253 21.096 87.347 17.840 1.00 0.00 WT2 O ATOM 31877 H1 TIP3 5253 20.792 88.025 18.443 1.00 0.00 WT2 H ATOM 31878 H2 TIP3 5253 21.006 86.531 18.332 1.00 0.00 WT2 H ATOM 31879 OH2 TIP3 5255 80.859 65.483 -11.858 1.00 0.00 WT2 O ATOM 31880 H1 TIP3 5255 81.658 64.957 -11.884 1.00 0.00 WT2 H ATOM 31881 H2 TIP3 5255 80.756 65.720 -10.937 1.00 0.00 WT2 H ATOM 31882 OH2 TIP3 5256 53.809 70.652 65.017 1.00 0.00 WT2 O ATOM 31883 H1 TIP3 5256 53.358 70.837 65.840 1.00 0.00 WT2 H ATOM 31884 H2 TIP3 5256 54.666 70.318 65.282 1.00 0.00 WT2 H ATOM 31885 OH2 TIP3 5259 48.591 92.115 -1.484 1.00 0.00 WT2 O ATOM 31886 H1 TIP3 5259 48.766 91.373 -2.064 1.00 0.00 WT2 H ATOM 31887 H2 TIP3 5259 49.157 91.966 -0.727 1.00 0.00 WT2 H ATOM 31888 OH2 TIP3 5260 61.952 5.351 7.579 1.00 0.00 WT2 O ATOM 31889 H1 TIP3 5260 61.536 4.501 7.722 1.00 0.00 WT2 H ATOM 31890 H2 TIP3 5260 61.565 5.673 6.765 1.00 0.00 WT2 H ATOM 31891 OH2 TIP3 5271 29.578 81.703 53.940 1.00 0.00 WT2 O ATOM 31892 H1 TIP3 5271 29.589 81.446 54.862 1.00 0.00 WT2 H ATOM 31893 H2 TIP3 5271 29.770 80.895 53.464 1.00 0.00 WT2 H ATOM 31894 OH2 TIP3 5272 45.385 15.322 28.946 1.00 0.00 WT2 O ATOM 31895 H1 TIP3 5272 46.038 16.002 28.783 1.00 0.00 WT2 H ATOM 31896 H2 TIP3 5272 45.735 14.544 28.512 1.00 0.00 WT2 H ATOM 31897 OH2 TIP3 5274 40.793 40.104 25.622 1.00 0.00 WT2 O ATOM 31898 H1 TIP3 5274 41.266 40.389 24.839 1.00 0.00 WT2 H ATOM 31899 H2 TIP3 5274 41.298 40.463 26.351 1.00 0.00 WT2 H ATOM 31900 OH2 TIP3 5277 89.879 22.568 45.664 1.00 0.00 WT2 O ATOM 31901 H1 TIP3 5277 89.755 21.697 45.287 1.00 0.00 WT2 H ATOM 31902 H2 TIP3 5277 90.750 22.536 46.060 1.00 0.00 WT2 H ATOM 31903 OH2 TIP3 5278 83.774 83.278 53.073 1.00 0.00 WT2 O ATOM 31904 H1 TIP3 5278 84.360 83.360 52.321 1.00 0.00 WT2 H ATOM 31905 H2 TIP3 5278 82.954 83.679 52.783 1.00 0.00 WT2 H ATOM 31906 OH2 TIP3 5279 68.357 36.488 17.091 1.00 0.00 WT2 O ATOM 31907 H1 TIP3 5279 68.432 37.123 16.379 1.00 0.00 WT2 H ATOM 31908 H2 TIP3 5279 68.857 35.729 16.790 1.00 0.00 WT2 H ATOM 31909 OH2 TIP3 5293 65.216 4.011 46.530 1.00 0.00 WT2 O ATOM 31910 H1 TIP3 5293 64.950 4.924 46.644 1.00 0.00 WT2 H ATOM 31911 H2 TIP3 5293 65.675 3.998 45.691 1.00 0.00 WT2 H ATOM 31912 OH2 TIP3 5294 45.729 73.000 1.713 1.00 0.00 WT2 O ATOM 31913 H1 TIP3 5294 46.333 72.534 2.291 1.00 0.00 WT2 H ATOM 31914 H2 TIP3 5294 44.965 72.428 1.651 1.00 0.00 WT2 H ATOM 31915 OH2 TIP3 5295 87.008 23.031 -12.049 1.00 0.00 WT2 O ATOM 31916 H1 TIP3 5295 87.170 23.089 -11.108 1.00 0.00 WT2 H ATOM 31917 H2 TIP3 5295 86.101 23.319 -12.155 1.00 0.00 WT2 H ATOM 31918 OH2 TIP3 5296 68.570 85.424 53.027 1.00 0.00 WT2 O ATOM 31919 H1 TIP3 5296 69.455 85.725 53.234 1.00 0.00 WT2 H ATOM 31920 H2 TIP3 5296 68.697 84.568 52.618 1.00 0.00 WT2 H ATOM 31921 OH2 TIP3 5297 89.515 77.225 -8.915 1.00 0.00 WT2 O ATOM 31922 H1 TIP3 5297 89.655 76.283 -8.814 1.00 0.00 WT2 H ATOM 31923 H2 TIP3 5297 90.173 77.498 -9.554 1.00 0.00 WT2 H ATOM 31924 OH2 TIP3 5300 47.673 0.953 22.208 1.00 0.00 WT2 O ATOM 31925 H1 TIP3 5300 48.155 1.543 21.629 1.00 0.00 WT2 H ATOM 31926 H2 TIP3 5300 46.755 1.077 21.967 1.00 0.00 WT2 H ATOM 31927 OH2 TIP3 5301 25.481 64.596 -5.717 1.00 0.00 WT2 O ATOM 31928 H1 TIP3 5301 26.218 65.007 -5.265 1.00 0.00 WT2 H ATOM 31929 H2 TIP3 5301 24.999 64.144 -5.025 1.00 0.00 WT2 H ATOM 31930 OH2 TIP3 5304 39.006 11.705 4.420 1.00 0.00 WT2 O ATOM 31931 H1 TIP3 5304 38.190 12.164 4.620 1.00 0.00 WT2 H ATOM 31932 H2 TIP3 5304 38.746 11.001 3.826 1.00 0.00 WT2 H ATOM 31933 OH2 TIP3 5315 84.602 51.493 47.073 1.00 0.00 WT2 O ATOM 31934 H1 TIP3 5315 84.357 50.594 46.857 1.00 0.00 WT2 H ATOM 31935 H2 TIP3 5315 84.787 51.472 48.012 1.00 0.00 WT2 H ATOM 31936 OH2 TIP3 5317 53.990 9.295 11.949 1.00 0.00 WT2 O ATOM 31937 H1 TIP3 5317 53.307 9.042 11.327 1.00 0.00 WT2 H ATOM 31938 H2 TIP3 5317 53.511 9.581 12.727 1.00 0.00 WT2 H ATOM 31939 OH2 TIP3 5318 33.488 92.636 -15.689 1.00 0.00 WT2 O ATOM 31940 H1 TIP3 5318 34.107 93.055 -16.287 1.00 0.00 WT2 H ATOM 31941 H2 TIP3 5318 33.652 91.699 -15.791 1.00 0.00 WT2 H ATOM 31942 OH2 TIP3 5319 30.566 6.576 66.463 1.00 0.00 WT2 O ATOM 31943 H1 TIP3 5319 30.442 5.631 66.551 1.00 0.00 WT2 H ATOM 31944 H2 TIP3 5319 30.068 6.812 65.681 1.00 0.00 WT2 H ATOM 31945 OH2 TIP3 5320 30.469 58.524 64.224 1.00 0.00 WT2 O ATOM 31946 H1 TIP3 5320 29.760 58.040 64.648 1.00 0.00 WT2 H ATOM 31947 H2 TIP3 5320 30.439 59.392 64.624 1.00 0.00 WT2 H ATOM 31948 OH2 TIP3 5335 22.404 35.795 56.294 1.00 0.00 WT2 O ATOM 31949 H1 TIP3 5335 23.351 35.921 56.364 1.00 0.00 WT2 H ATOM 31950 H2 TIP3 5335 22.031 36.464 56.868 1.00 0.00 WT2 H ATOM 31951 OH2 TIP3 5336 55.346 65.357 66.369 1.00 0.00 WT2 O ATOM 31952 H1 TIP3 5336 55.816 65.947 66.958 1.00 0.00 WT2 H ATOM 31953 H2 TIP3 5336 54.605 65.042 66.885 1.00 0.00 WT2 H ATOM 31954 OH2 TIP3 5339 45.350 77.223 32.999 1.00 0.00 WT2 O ATOM 31955 H1 TIP3 5339 45.371 76.565 33.694 1.00 0.00 WT2 H ATOM 31956 H2 TIP3 5339 44.492 77.110 32.589 1.00 0.00 WT2 H ATOM 31957 OH2 TIP3 5340 83.305 92.490 -18.310 1.00 0.00 WT2 O ATOM 31958 H1 TIP3 5340 84.228 92.488 -18.056 1.00 0.00 WT2 H ATOM 31959 H2 TIP3 5340 83.311 92.265 -19.240 1.00 0.00 WT2 H ATOM 31960 OH2 TIP3 5341 46.791 16.261 52.533 1.00 0.00 WT2 O ATOM 31961 H1 TIP3 5341 47.149 15.567 53.087 1.00 0.00 WT2 H ATOM 31962 H2 TIP3 5341 46.382 15.797 51.802 1.00 0.00 WT2 H ATOM 31963 OH2 TIP3 5355 45.441 69.057 34.312 1.00 0.00 WT2 O ATOM 31964 H1 TIP3 5355 45.778 68.264 33.895 1.00 0.00 WT2 H ATOM 31965 H2 TIP3 5355 45.932 69.126 35.130 1.00 0.00 WT2 H ATOM 31966 OH2 TIP3 5356 64.858 21.907 27.587 1.00 0.00 WT2 O ATOM 31967 H1 TIP3 5356 64.716 22.852 27.637 1.00 0.00 WT2 H ATOM 31968 H2 TIP3 5356 64.063 21.567 27.176 1.00 0.00 WT2 H ATOM 31969 OH2 TIP3 5357 62.723 55.501 57.176 1.00 0.00 WT2 O ATOM 31970 H1 TIP3 5357 62.091 55.053 57.739 1.00 0.00 WT2 H ATOM 31971 H2 TIP3 5357 62.281 55.575 56.331 1.00 0.00 WT2 H ATOM 31972 OH2 TIP3 5358 70.660 49.998 24.880 1.00 0.00 WT2 O ATOM 31973 H1 TIP3 5358 70.309 50.446 24.110 1.00 0.00 WT2 H ATOM 31974 H2 TIP3 5358 71.331 49.412 24.531 1.00 0.00 WT2 H ATOM 31975 OH2 TIP3 5359 69.779 91.278 6.296 1.00 0.00 WT2 O ATOM 31976 H1 TIP3 5359 70.072 90.930 7.139 1.00 0.00 WT2 H ATOM 31977 H2 TIP3 5359 69.662 90.505 5.744 1.00 0.00 WT2 H ATOM 31978 OH2 TIP3 5360 31.465 17.666 67.225 1.00 0.00 WT2 O ATOM 31979 H1 TIP3 5360 31.193 18.402 66.676 1.00 0.00 WT2 H ATOM 31980 H2 TIP3 5360 30.722 17.063 67.203 1.00 0.00 WT2 H ATOM 31981 OH2 TIP3 5364 32.570 27.734 42.424 1.00 0.00 WT2 O ATOM 31982 H1 TIP3 5364 32.301 26.904 42.031 1.00 0.00 WT2 H ATOM 31983 H2 TIP3 5364 33.463 27.871 42.107 1.00 0.00 WT2 H ATOM 31984 OH2 TIP3 5375 74.310 27.590 51.459 1.00 0.00 WT2 O ATOM 31985 H1 TIP3 5375 74.596 28.258 50.835 1.00 0.00 WT2 H ATOM 31986 H2 TIP3 5375 75.038 26.969 51.496 1.00 0.00 WT2 H ATOM 31987 OH2 TIP3 5377 61.685 84.719 2.390 1.00 0.00 WT2 O ATOM 31988 H1 TIP3 5377 61.367 84.332 3.206 1.00 0.00 WT2 H ATOM 31989 H2 TIP3 5377 62.463 85.214 2.647 1.00 0.00 WT2 H ATOM 31990 OH2 TIP3 5378 31.618 4.819 38.392 1.00 0.00 WT2 O ATOM 31991 H1 TIP3 5378 32.270 5.138 37.768 1.00 0.00 WT2 H ATOM 31992 H2 TIP3 5378 30.792 4.840 37.909 1.00 0.00 WT2 H ATOM 31993 OH2 TIP3 5379 40.541 31.998 40.201 1.00 0.00 WT2 O ATOM 31994 H1 TIP3 5379 39.856 32.263 40.816 1.00 0.00 WT2 H ATOM 31995 H2 TIP3 5379 40.188 32.222 39.339 1.00 0.00 WT2 H ATOM 31996 OH2 TIP3 5380 46.112 44.164 64.644 1.00 0.00 WT2 O ATOM 31997 H1 TIP3 5380 46.376 43.721 65.450 1.00 0.00 WT2 H ATOM 31998 H2 TIP3 5380 46.666 43.778 63.965 1.00 0.00 WT2 H ATOM 31999 OH2 TIP3 5381 43.253 93.040 63.588 1.00 0.00 WT2 O ATOM 32000 H1 TIP3 5381 43.067 92.177 63.958 1.00 0.00 WT2 H ATOM 32001 H2 TIP3 5381 42.473 93.558 63.783 1.00 0.00 WT2 H ATOM 32002 OH2 TIP3 5382 88.568 69.727 54.138 1.00 0.00 WT2 O ATOM 32003 H1 TIP3 5382 88.962 68.865 54.269 1.00 0.00 WT2 H ATOM 32004 H2 TIP3 5382 89.059 70.106 53.408 1.00 0.00 WT2 H ATOM 32005 OH2 TIP3 5383 26.709 17.647 49.069 1.00 0.00 WT2 O ATOM 32006 H1 TIP3 5383 26.358 17.298 48.250 1.00 0.00 WT2 H ATOM 32007 H2 TIP3 5383 25.936 17.880 49.582 1.00 0.00 WT2 H ATOM 32008 OH2 TIP3 5384 64.802 37.448 47.042 1.00 0.00 WT2 O ATOM 32009 H1 TIP3 5384 63.864 37.614 46.954 1.00 0.00 WT2 H ATOM 32010 H2 TIP3 5384 65.105 37.294 46.147 1.00 0.00 WT2 H ATOM 32011 OH2 TIP3 5385 86.000 32.804 29.988 1.00 0.00 WT2 O ATOM 32012 H1 TIP3 5385 85.602 33.014 29.143 1.00 0.00 WT2 H ATOM 32013 H2 TIP3 5385 86.756 33.388 30.049 1.00 0.00 WT2 H ATOM 32014 OH2 TIP3 5393 41.176 11.132 33.881 1.00 0.00 WT2 O ATOM 32015 H1 TIP3 5393 40.352 11.530 34.161 1.00 0.00 WT2 H ATOM 32016 H2 TIP3 5393 41.225 11.315 32.943 1.00 0.00 WT2 H ATOM 32017 OH2 TIP3 5396 75.480 80.831 48.865 1.00 0.00 WT2 O ATOM 32018 H1 TIP3 5396 75.894 81.287 48.133 1.00 0.00 WT2 H ATOM 32019 H2 TIP3 5396 76.128 80.867 49.568 1.00 0.00 WT2 H ATOM 32020 OH2 TIP3 5399 36.905 84.513 63.539 1.00 0.00 WT2 O ATOM 32021 H1 TIP3 5399 36.194 84.572 62.901 1.00 0.00 WT2 H ATOM 32022 H2 TIP3 5399 37.671 84.264 63.022 1.00 0.00 WT2 H ATOM 32023 OH2 TIP3 5400 48.083 9.389 8.419 1.00 0.00 WT2 O ATOM 32024 H1 TIP3 5400 48.693 9.588 9.130 1.00 0.00 WT2 H ATOM 32025 H2 TIP3 5400 47.642 8.587 8.698 1.00 0.00 WT2 H ATOM 32026 OH2 TIP3 5402 84.735 10.997 -19.346 1.00 0.00 WT2 O ATOM 32027 H1 TIP3 5402 84.010 11.555 -19.064 1.00 0.00 WT2 H ATOM 32028 H2 TIP3 5402 84.411 10.563 -20.135 1.00 0.00 WT2 H ATOM 32029 OH2 TIP3 5404 33.768 73.181 64.379 1.00 0.00 WT2 O ATOM 32030 H1 TIP3 5404 33.314 72.343 64.467 1.00 0.00 WT2 H ATOM 32031 H2 TIP3 5404 33.866 73.303 63.435 1.00 0.00 WT2 H ATOM 32032 OH2 TIP3 5418 40.010 9.705 9.100 1.00 0.00 WT2 O ATOM 32033 H1 TIP3 5418 40.820 9.468 9.550 1.00 0.00 WT2 H ATOM 32034 H2 TIP3 5418 39.321 9.264 9.597 1.00 0.00 WT2 H ATOM 32035 OH2 TIP3 5419 41.082 22.051 12.662 1.00 0.00 WT2 O ATOM 32036 H1 TIP3 5419 41.121 21.136 12.384 1.00 0.00 WT2 H ATOM 32037 H2 TIP3 5419 41.989 22.281 12.863 1.00 0.00 WT2 H ATOM 32038 OH2 TIP3 5420 84.332 89.147 -10.247 1.00 0.00 WT2 O ATOM 32039 H1 TIP3 5420 83.614 88.921 -9.656 1.00 0.00 WT2 H ATOM 32040 H2 TIP3 5420 84.670 89.976 -9.909 1.00 0.00 WT2 H ATOM 32041 OH2 TIP3 5421 24.886 22.206 65.763 1.00 0.00 WT2 O ATOM 32042 H1 TIP3 5421 25.272 22.711 65.048 1.00 0.00 WT2 H ATOM 32043 H2 TIP3 5421 25.511 22.290 66.483 1.00 0.00 WT2 H ATOM 32044 OH2 TIP3 5422 77.686 38.851 22.499 1.00 0.00 WT2 O ATOM 32045 H1 TIP3 5422 77.701 39.772 22.760 1.00 0.00 WT2 H ATOM 32046 H2 TIP3 5422 77.005 38.803 21.829 1.00 0.00 WT2 H ATOM 32047 OH2 TIP3 5426 61.095 36.946 4.987 1.00 0.00 WT2 O ATOM 32048 H1 TIP3 5426 61.385 36.820 5.891 1.00 0.00 WT2 H ATOM 32049 H2 TIP3 5426 60.178 36.672 4.989 1.00 0.00 WT2 H ATOM 32050 OH2 TIP3 5430 61.968 20.576 49.931 1.00 0.00 WT2 O ATOM 32051 H1 TIP3 5430 62.478 20.860 49.173 1.00 0.00 WT2 H ATOM 32052 H2 TIP3 5430 61.273 20.030 49.562 1.00 0.00 WT2 H ATOM 32053 OH2 TIP3 5434 32.323 60.020 6.272 1.00 0.00 WT2 O ATOM 32054 H1 TIP3 5434 33.123 59.797 6.748 1.00 0.00 WT2 H ATOM 32055 H2 TIP3 5434 32.268 59.367 5.575 1.00 0.00 WT2 H ATOM 32056 OH2 TIP3 5440 55.817 76.037 48.178 1.00 0.00 WT2 O ATOM 32057 H1 TIP3 5440 56.719 75.725 48.100 1.00 0.00 WT2 H ATOM 32058 H2 TIP3 5440 55.349 75.599 47.467 1.00 0.00 WT2 H ATOM 32059 OH2 TIP3 5442 59.071 11.154 -14.092 1.00 0.00 WT2 O ATOM 32060 H1 TIP3 5442 59.840 10.619 -14.286 1.00 0.00 WT2 H ATOM 32061 H2 TIP3 5442 59.116 11.306 -13.148 1.00 0.00 WT2 H ATOM 32062 OH2 TIP3 5443 76.497 77.143 -7.918 1.00 0.00 WT2 O ATOM 32063 H1 TIP3 5443 76.074 76.356 -7.575 1.00 0.00 WT2 H ATOM 32064 H2 TIP3 5443 75.776 77.672 -8.260 1.00 0.00 WT2 H ATOM 32065 OH2 TIP3 5444 34.176 53.516 22.048 1.00 0.00 WT2 O ATOM 32066 H1 TIP3 5444 34.808 53.249 22.715 1.00 0.00 WT2 H ATOM 32067 H2 TIP3 5444 34.707 53.690 21.271 1.00 0.00 WT2 H ATOM 32068 OH2 TIP3 5445 49.750 94.082 -7.912 1.00 0.00 WT2 O ATOM 32069 H1 TIP3 5445 49.045 94.475 -8.427 1.00 0.00 WT2 H ATOM 32070 H2 TIP3 5445 50.062 94.792 -7.351 1.00 0.00 WT2 H ATOM 32071 OH2 TIP3 5446 82.579 60.232 14.687 1.00 0.00 WT2 O ATOM 32072 H1 TIP3 5446 81.836 60.362 14.098 1.00 0.00 WT2 H ATOM 32073 H2 TIP3 5446 83.269 59.875 14.128 1.00 0.00 WT2 H ATOM 32074 OH2 TIP3 5460 68.716 37.745 39.976 1.00 0.00 WT2 O ATOM 32075 H1 TIP3 5460 69.257 38.535 39.981 1.00 0.00 WT2 H ATOM 32076 H2 TIP3 5460 68.023 37.934 39.342 1.00 0.00 WT2 H ATOM 32077 OH2 TIP3 5461 57.066 5.587 52.288 1.00 0.00 WT2 O ATOM 32078 H1 TIP3 5461 56.999 4.675 52.004 1.00 0.00 WT2 H ATOM 32079 H2 TIP3 5461 57.835 5.925 51.830 1.00 0.00 WT2 H ATOM 32080 OH2 TIP3 5462 65.208 11.340 48.080 1.00 0.00 WT2 O ATOM 32081 H1 TIP3 5462 64.338 11.016 48.316 1.00 0.00 WT2 H ATOM 32082 H2 TIP3 5462 65.467 10.805 47.330 1.00 0.00 WT2 H ATOM 32083 OH2 TIP3 5463 82.900 58.760 42.091 1.00 0.00 WT2 O ATOM 32084 H1 TIP3 5463 82.031 58.885 42.473 1.00 0.00 WT2 H ATOM 32085 H2 TIP3 5463 83.439 58.448 42.817 1.00 0.00 WT2 H ATOM 32086 OH2 TIP3 5464 66.867 38.075 37.916 1.00 0.00 WT2 O ATOM 32087 H1 TIP3 5464 66.486 37.295 37.511 1.00 0.00 WT2 H ATOM 32088 H2 TIP3 5464 67.146 38.616 37.177 1.00 0.00 WT2 H ATOM 32089 OH2 TIP3 5466 22.103 74.347 3.807 1.00 0.00 WT2 O ATOM 32090 H1 TIP3 5466 22.664 74.445 3.037 1.00 0.00 WT2 H ATOM 32091 H2 TIP3 5466 21.982 73.401 3.896 1.00 0.00 WT2 H ATOM 32092 OH2 TIP3 5481 23.750 88.761 61.926 1.00 0.00 WT2 O ATOM 32093 H1 TIP3 5481 24.452 89.071 61.353 1.00 0.00 WT2 H ATOM 32094 H2 TIP3 5481 24.087 87.946 62.298 1.00 0.00 WT2 H ATOM 32095 OH2 TIP3 5482 79.190 42.977 15.017 1.00 0.00 WT2 O ATOM 32096 H1 TIP3 5482 79.586 43.317 14.214 1.00 0.00 WT2 H ATOM 32097 H2 TIP3 5482 78.292 42.761 14.769 1.00 0.00 WT2 H ATOM 32098 OH2 TIP3 5483 79.502 39.510 38.344 1.00 0.00 WT2 O ATOM 32099 H1 TIP3 5483 79.857 38.695 37.989 1.00 0.00 WT2 H ATOM 32100 H2 TIP3 5483 79.526 40.122 37.609 1.00 0.00 WT2 H ATOM 32101 OH2 TIP3 5484 80.879 31.527 -11.320 1.00 0.00 WT2 O ATOM 32102 H1 TIP3 5484 79.940 31.339 -11.304 1.00 0.00 WT2 H ATOM 32103 H2 TIP3 5484 81.047 31.830 -12.212 1.00 0.00 WT2 H ATOM 32104 OH2 TIP3 5486 57.727 32.081 41.561 1.00 0.00 WT2 O ATOM 32105 H1 TIP3 5486 56.796 32.294 41.494 1.00 0.00 WT2 H ATOM 32106 H2 TIP3 5486 58.121 32.480 40.785 1.00 0.00 WT2 H ATOM 32107 OH2 TIP3 5487 72.138 19.200 -6.200 1.00 0.00 WT2 O ATOM 32108 H1 TIP3 5487 72.503 18.403 -5.815 1.00 0.00 WT2 H ATOM 32109 H2 TIP3 5487 72.045 18.997 -7.130 1.00 0.00 WT2 H ATOM 32110 OH2 TIP3 5488 75.331 26.732 3.292 1.00 0.00 WT2 O ATOM 32111 H1 TIP3 5488 75.006 26.141 3.971 1.00 0.00 WT2 H ATOM 32112 H2 TIP3 5488 76.270 26.552 3.247 1.00 0.00 WT2 H ATOM 32113 OH2 TIP3 5504 47.795 4.894 53.922 1.00 0.00 WT2 O ATOM 32114 H1 TIP3 5504 48.078 3.989 53.796 1.00 0.00 WT2 H ATOM 32115 H2 TIP3 5504 48.517 5.308 54.394 1.00 0.00 WT2 H ATOM 32116 OH2 TIP3 5505 81.329 72.178 -18.484 1.00 0.00 WT2 O ATOM 32117 H1 TIP3 5505 80.457 71.784 -18.523 1.00 0.00 WT2 H ATOM 32118 H2 TIP3 5505 81.357 72.773 -19.233 1.00 0.00 WT2 H ATOM 32119 OH2 TIP3 5506 66.611 65.062 27.867 1.00 0.00 WT2 O ATOM 32120 H1 TIP3 5506 66.158 65.903 27.803 1.00 0.00 WT2 H ATOM 32121 H2 TIP3 5506 65.975 64.422 27.551 1.00 0.00 WT2 H ATOM 32122 OH2 TIP3 5507 58.268 11.522 55.777 1.00 0.00 WT2 O ATOM 32123 H1 TIP3 5507 57.591 10.847 55.816 1.00 0.00 WT2 H ATOM 32124 H2 TIP3 5507 59.072 11.071 56.036 1.00 0.00 WT2 H ATOM 32125 OH2 TIP3 5510 27.963 42.055 30.245 1.00 0.00 WT2 O ATOM 32126 H1 TIP3 5510 27.585 42.112 29.368 1.00 0.00 WT2 H ATOM 32127 H2 TIP3 5510 28.890 41.871 30.096 1.00 0.00 WT2 H ATOM 32128 OH2 TIP3 5522 35.184 68.410 -3.979 1.00 0.00 WT2 O ATOM 32129 H1 TIP3 5522 35.867 68.862 -4.474 1.00 0.00 WT2 H ATOM 32130 H2 TIP3 5522 34.380 68.578 -4.471 1.00 0.00 WT2 H ATOM 32131 OH2 TIP3 5526 71.523 21.556 -8.461 1.00 0.00 WT2 O ATOM 32132 H1 TIP3 5526 71.731 21.783 -7.555 1.00 0.00 WT2 H ATOM 32133 H2 TIP3 5526 71.637 20.607 -8.504 1.00 0.00 WT2 H ATOM 32134 OH2 TIP3 5527 48.826 78.271 59.208 1.00 0.00 WT2 O ATOM 32135 H1 TIP3 5527 49.653 77.942 59.561 1.00 0.00 WT2 H ATOM 32136 H2 TIP3 5527 48.437 78.765 59.929 1.00 0.00 WT2 H ATOM 32137 OH2 TIP3 5528 32.125 48.224 7.981 1.00 0.00 WT2 O ATOM 32138 H1 TIP3 5528 31.986 47.690 7.199 1.00 0.00 WT2 H ATOM 32139 H2 TIP3 5528 32.709 47.700 8.529 1.00 0.00 WT2 H ATOM 32140 OH2 TIP3 5530 61.200 80.826 6.273 1.00 0.00 WT2 O ATOM 32141 H1 TIP3 5530 60.940 81.314 7.055 1.00 0.00 WT2 H ATOM 32142 H2 TIP3 5530 61.095 79.907 6.517 1.00 0.00 WT2 H ATOM 32143 OH2 TIP3 5545 69.230 13.897 38.245 1.00 0.00 WT2 O ATOM 32144 H1 TIP3 5545 69.454 13.234 37.592 1.00 0.00 WT2 H ATOM 32145 H2 TIP3 5545 68.752 14.565 37.755 1.00 0.00 WT2 H ATOM 32146 OH2 TIP3 5547 62.812 7.526 -1.537 1.00 0.00 WT2 O ATOM 32147 H1 TIP3 5547 63.475 7.785 -2.177 1.00 0.00 WT2 H ATOM 32148 H2 TIP3 5547 62.963 8.101 -0.788 1.00 0.00 WT2 H ATOM 32149 OH2 TIP3 5548 58.962 2.103 57.914 1.00 0.00 WT2 O ATOM 32150 H1 TIP3 5548 58.917 1.632 58.746 1.00 0.00 WT2 H ATOM 32151 H2 TIP3 5548 58.047 2.236 57.664 1.00 0.00 WT2 H ATOM 32152 OH2 TIP3 5549 25.061 84.560 6.792 1.00 0.00 WT2 O ATOM 32153 H1 TIP3 5549 25.000 83.922 7.503 1.00 0.00 WT2 H ATOM 32154 H2 TIP3 5549 25.614 85.258 7.142 1.00 0.00 WT2 H ATOM 32155 OH2 TIP3 5550 86.547 35.449 62.223 1.00 0.00 WT2 O ATOM 32156 H1 TIP3 5550 86.619 36.326 62.601 1.00 0.00 WT2 H ATOM 32157 H2 TIP3 5550 85.956 35.557 61.477 1.00 0.00 WT2 H ATOM 32158 OH2 TIP3 5551 79.796 34.457 59.009 1.00 0.00 WT2 O ATOM 32159 H1 TIP3 5551 79.001 34.705 59.483 1.00 0.00 WT2 H ATOM 32160 H2 TIP3 5551 79.687 34.842 58.140 1.00 0.00 WT2 H ATOM 32161 OH2 TIP3 5552 39.975 8.603 46.124 1.00 0.00 WT2 O ATOM 32162 H1 TIP3 5552 39.532 9.116 45.448 1.00 0.00 WT2 H ATOM 32163 H2 TIP3 5552 39.867 9.117 46.925 1.00 0.00 WT2 H ATOM 32164 OH2 TIP3 5553 31.057 24.964 29.734 1.00 0.00 WT2 O ATOM 32165 H1 TIP3 5553 30.913 25.511 28.962 1.00 0.00 WT2 H ATOM 32166 H2 TIP3 5553 31.985 25.073 29.937 1.00 0.00 WT2 H ATOM 32167 OH2 TIP3 5564 27.962 19.977 64.142 1.00 0.00 WT2 O ATOM 32168 H1 TIP3 5564 28.747 20.360 63.751 1.00 0.00 WT2 H ATOM 32169 H2 TIP3 5564 27.237 20.347 63.638 1.00 0.00 WT2 H ATOM 32170 OH2 TIP3 5566 64.874 70.174 31.913 1.00 0.00 WT2 O ATOM 32171 H1 TIP3 5566 64.516 69.856 31.084 1.00 0.00 WT2 H ATOM 32172 H2 TIP3 5566 65.268 69.400 32.316 1.00 0.00 WT2 H ATOM 32173 OH2 TIP3 5567 56.681 53.778 -18.669 1.00 0.00 WT2 O ATOM 32174 H1 TIP3 5567 57.165 54.172 -17.944 1.00 0.00 WT2 H ATOM 32175 H2 TIP3 5567 56.644 52.846 -18.455 1.00 0.00 WT2 H ATOM 32176 OH2 TIP3 5568 71.135 75.840 23.518 1.00 0.00 WT2 O ATOM 32177 H1 TIP3 5568 71.520 75.148 24.056 1.00 0.00 WT2 H ATOM 32178 H2 TIP3 5568 70.550 75.379 22.917 1.00 0.00 WT2 H ATOM 32179 OH2 TIP3 5569 73.157 31.093 41.095 1.00 0.00 WT2 O ATOM 32180 H1 TIP3 5569 72.834 30.897 40.216 1.00 0.00 WT2 H ATOM 32181 H2 TIP3 5569 73.527 31.973 41.025 1.00 0.00 WT2 H ATOM 32182 OH2 TIP3 5571 48.159 91.772 -10.832 1.00 0.00 WT2 O ATOM 32183 H1 TIP3 5571 48.996 92.188 -11.036 1.00 0.00 WT2 H ATOM 32184 H2 TIP3 5571 47.824 91.479 -11.680 1.00 0.00 WT2 H ATOM 32185 OH2 TIP3 5572 81.856 91.286 57.408 1.00 0.00 WT2 O ATOM 32186 H1 TIP3 5572 82.743 90.932 57.468 1.00 0.00 WT2 H ATOM 32187 H2 TIP3 5572 81.521 90.956 56.574 1.00 0.00 WT2 H ATOM 32188 OH2 TIP3 5585 83.079 23.351 55.616 1.00 0.00 WT2 O ATOM 32189 H1 TIP3 5585 82.320 22.995 55.154 1.00 0.00 WT2 H ATOM 32190 H2 TIP3 5585 82.801 24.224 55.895 1.00 0.00 WT2 H ATOM 32191 OH2 TIP3 5590 84.693 36.702 31.361 1.00 0.00 WT2 O ATOM 32192 H1 TIP3 5590 84.194 36.794 30.549 1.00 0.00 WT2 H ATOM 32193 H2 TIP3 5590 85.515 37.161 31.191 1.00 0.00 WT2 H ATOM 32194 OH2 TIP3 5591 56.196 1.022 48.435 1.00 0.00 WT2 O ATOM 32195 H1 TIP3 5591 56.614 0.770 47.611 1.00 0.00 WT2 H ATOM 32196 H2 TIP3 5591 55.707 1.816 48.223 1.00 0.00 WT2 H ATOM 32197 OH2 TIP3 5592 30.688 59.129 30.529 1.00 0.00 WT2 O ATOM 32198 H1 TIP3 5592 31.483 59.076 30.000 1.00 0.00 WT2 H ATOM 32199 H2 TIP3 5592 30.908 59.739 31.233 1.00 0.00 WT2 H ATOM 32200 OH2 TIP3 5595 78.271 81.388 1.900 1.00 0.00 WT2 O ATOM 32201 H1 TIP3 5595 78.359 82.326 2.068 1.00 0.00 WT2 H ATOM 32202 H2 TIP3 5595 78.123 81.325 0.957 1.00 0.00 WT2 H ATOM 32203 OH2 TIP3 5596 87.065 60.894 -1.930 1.00 0.00 WT2 O ATOM 32204 H1 TIP3 5596 86.418 60.188 -1.903 1.00 0.00 WT2 H ATOM 32205 H2 TIP3 5596 87.044 61.272 -1.051 1.00 0.00 WT2 H ATOM 32206 OH2 TIP3 5606 36.635 51.282 61.912 1.00 0.00 WT2 O ATOM 32207 H1 TIP3 5606 36.945 50.495 62.361 1.00 0.00 WT2 H ATOM 32208 H2 TIP3 5606 35.975 50.962 61.297 1.00 0.00 WT2 H ATOM 32209 OH2 TIP3 5607 51.392 27.422 14.177 1.00 0.00 WT2 O ATOM 32210 H1 TIP3 5607 51.828 28.229 13.904 1.00 0.00 WT2 H ATOM 32211 H2 TIP3 5607 51.125 27.005 13.358 1.00 0.00 WT2 H ATOM 32212 OH2 TIP3 5609 21.483 65.198 -3.478 1.00 0.00 WT2 O ATOM 32213 H1 TIP3 5609 21.634 66.143 -3.490 1.00 0.00 WT2 H ATOM 32214 H2 TIP3 5609 21.054 65.013 -4.313 1.00 0.00 WT2 H ATOM 32215 OH2 TIP3 5610 58.941 60.832 55.857 1.00 0.00 WT2 O ATOM 32216 H1 TIP3 5610 59.131 61.140 56.743 1.00 0.00 WT2 H ATOM 32217 H2 TIP3 5610 59.753 60.414 55.569 1.00 0.00 WT2 H ATOM 32218 OH2 TIP3 5611 28.143 31.638 -12.102 1.00 0.00 WT2 O ATOM 32219 H1 TIP3 5611 27.704 32.366 -12.542 1.00 0.00 WT2 H ATOM 32220 H2 TIP3 5611 28.139 30.931 -12.746 1.00 0.00 WT2 H ATOM 32221 OH2 TIP3 5612 81.534 49.706 65.893 1.00 0.00 WT2 O ATOM 32222 H1 TIP3 5612 81.079 50.311 66.479 1.00 0.00 WT2 H ATOM 32223 H2 TIP3 5612 82.064 50.270 65.330 1.00 0.00 WT2 H ATOM 32224 OH2 TIP3 5614 41.861 38.227 -11.884 1.00 0.00 WT2 O ATOM 32225 H1 TIP3 5614 41.335 38.949 -11.540 1.00 0.00 WT2 H ATOM 32226 H2 TIP3 5614 41.850 37.570 -11.188 1.00 0.00 WT2 H ATOM 32227 OH2 TIP3 5615 45.991 10.187 66.855 1.00 0.00 WT2 O ATOM 32228 H1 TIP3 5615 46.629 10.484 66.206 1.00 0.00 WT2 H ATOM 32229 H2 TIP3 5615 46.155 9.248 66.940 1.00 0.00 WT2 H ATOM 32230 OH2 TIP3 5616 26.251 41.978 45.544 1.00 0.00 WT2 O ATOM 32231 H1 TIP3 5616 25.851 42.848 45.571 1.00 0.00 WT2 H ATOM 32232 H2 TIP3 5616 25.669 41.464 44.983 1.00 0.00 WT2 H ATOM 32233 OH2 TIP3 5618 75.056 17.854 64.907 1.00 0.00 WT2 O ATOM 32234 H1 TIP3 5618 75.405 17.228 64.274 1.00 0.00 WT2 H ATOM 32235 H2 TIP3 5618 74.235 17.462 65.205 1.00 0.00 WT2 H ATOM 32236 OH2 TIP3 5626 87.332 71.529 35.456 1.00 0.00 WT2 O ATOM 32237 H1 TIP3 5626 87.697 71.033 36.189 1.00 0.00 WT2 H ATOM 32238 H2 TIP3 5626 88.034 71.547 34.805 1.00 0.00 WT2 H ATOM 32239 OH2 TIP3 5630 59.990 52.444 -9.964 1.00 0.00 WT2 O ATOM 32240 H1 TIP3 5630 59.127 52.416 -9.552 1.00 0.00 WT2 H ATOM 32241 H2 TIP3 5630 60.596 52.609 -9.242 1.00 0.00 WT2 H ATOM 32242 OH2 TIP3 5631 71.230 87.605 32.851 1.00 0.00 WT2 O ATOM 32243 H1 TIP3 5631 70.831 88.293 32.318 1.00 0.00 WT2 H ATOM 32244 H2 TIP3 5631 70.569 86.913 32.883 1.00 0.00 WT2 H ATOM 32245 OH2 TIP3 5633 45.598 77.550 -13.729 1.00 0.00 WT2 O ATOM 32246 H1 TIP3 5633 45.033 77.245 -14.438 1.00 0.00 WT2 H ATOM 32247 H2 TIP3 5633 45.926 78.397 -14.031 1.00 0.00 WT2 H ATOM 32248 OH2 TIP3 5635 64.928 8.609 -2.823 1.00 0.00 WT2 O ATOM 32249 H1 TIP3 5635 65.495 9.082 -2.214 1.00 0.00 WT2 H ATOM 32250 H2 TIP3 5635 65.110 9.004 -3.676 1.00 0.00 WT2 H ATOM 32251 OH2 TIP3 5647 86.982 78.799 32.613 1.00 0.00 WT2 O ATOM 32252 H1 TIP3 5647 86.931 77.987 32.110 1.00 0.00 WT2 H ATOM 32253 H2 TIP3 5647 87.110 79.482 31.955 1.00 0.00 WT2 H ATOM 32254 OH2 TIP3 5650 59.294 33.222 65.331 1.00 0.00 WT2 O ATOM 32255 H1 TIP3 5650 58.765 34.013 65.436 1.00 0.00 WT2 H ATOM 32256 H2 TIP3 5650 58.845 32.722 64.649 1.00 0.00 WT2 H ATOM 32257 OH2 TIP3 5651 35.616 52.259 52.988 1.00 0.00 WT2 O ATOM 32258 H1 TIP3 5651 35.743 53.079 53.466 1.00 0.00 WT2 H ATOM 32259 H2 TIP3 5651 34.670 52.204 52.853 1.00 0.00 WT2 H ATOM 32260 OH2 TIP3 5653 44.406 94.809 25.092 1.00 0.00 WT2 O ATOM 32261 H1 TIP3 5653 44.831 94.249 24.442 1.00 0.00 WT2 H ATOM 32262 H2 TIP3 5653 43.582 95.071 24.680 1.00 0.00 WT2 H ATOM 32263 OH2 TIP3 5654 40.235 0.535 54.203 1.00 0.00 WT2 O ATOM 32264 H1 TIP3 5654 41.097 0.832 53.912 1.00 0.00 WT2 H ATOM 32265 H2 TIP3 5654 39.953 1.199 54.832 1.00 0.00 WT2 H ATOM 32266 OH2 TIP3 5655 64.078 45.594 43.964 1.00 0.00 WT2 O ATOM 32267 H1 TIP3 5655 64.554 44.766 44.024 1.00 0.00 WT2 H ATOM 32268 H2 TIP3 5655 64.443 46.026 43.192 1.00 0.00 WT2 H ATOM 32269 OH2 TIP3 5656 67.015 32.159 50.113 1.00 0.00 WT2 O ATOM 32270 H1 TIP3 5656 66.706 31.579 50.809 1.00 0.00 WT2 H ATOM 32271 H2 TIP3 5656 66.445 31.967 49.369 1.00 0.00 WT2 H ATOM 32272 OH2 TIP3 5669 53.133 72.148 -2.566 1.00 0.00 WT2 O ATOM 32273 H1 TIP3 5669 53.734 72.273 -1.831 1.00 0.00 WT2 H ATOM 32274 H2 TIP3 5669 52.887 73.035 -2.828 1.00 0.00 WT2 H ATOM 32275 OH2 TIP3 5673 88.675 96.290 30.652 1.00 0.00 WT2 O ATOM 32276 H1 TIP3 5673 88.865 95.977 29.768 1.00 0.00 WT2 H ATOM 32277 H2 TIP3 5673 88.866 97.227 30.621 1.00 0.00 WT2 H ATOM 32278 OH2 TIP3 5674 23.825 36.231 -7.651 1.00 0.00 WT2 O ATOM 32279 H1 TIP3 5674 23.546 35.975 -6.771 1.00 0.00 WT2 H ATOM 32280 H2 TIP3 5674 23.303 35.683 -8.237 1.00 0.00 WT2 H ATOM 32281 OH2 TIP3 5675 85.104 49.084 14.877 1.00 0.00 WT2 O ATOM 32282 H1 TIP3 5675 84.969 49.231 13.941 1.00 0.00 WT2 H ATOM 32283 H2 TIP3 5675 85.206 48.136 14.960 1.00 0.00 WT2 H ATOM 32284 OH2 TIP3 5676 63.113 12.543 22.930 1.00 0.00 WT2 O ATOM 32285 H1 TIP3 5676 63.933 12.452 22.444 1.00 0.00 WT2 H ATOM 32286 H2 TIP3 5676 63.252 13.303 23.495 1.00 0.00 WT2 H ATOM 32287 OH2 TIP3 5678 77.136 23.902 -18.487 1.00 0.00 WT2 O ATOM 32288 H1 TIP3 5678 76.625 23.444 -17.819 1.00 0.00 WT2 H ATOM 32289 H2 TIP3 5678 76.482 24.327 -19.040 1.00 0.00 WT2 H ATOM 32290 OH2 TIP3 5679 63.758 27.953 -15.749 1.00 0.00 WT2 O ATOM 32291 H1 TIP3 5679 64.018 28.207 -14.863 1.00 0.00 WT2 H ATOM 32292 H2 TIP3 5679 63.243 28.694 -16.070 1.00 0.00 WT2 H ATOM 32293 OH2 TIP3 5687 37.195 4.832 22.904 1.00 0.00 WT2 O ATOM 32294 H1 TIP3 5687 38.119 5.052 22.786 1.00 0.00 WT2 H ATOM 32295 H2 TIP3 5687 36.865 5.496 23.509 1.00 0.00 WT2 H ATOM 32296 OH2 TIP3 5690 64.237 93.436 0.660 1.00 0.00 WT2 O ATOM 32297 H1 TIP3 5690 64.349 94.347 0.387 1.00 0.00 WT2 H ATOM 32298 H2 TIP3 5690 63.325 93.233 0.449 1.00 0.00 WT2 H ATOM 32299 OH2 TIP3 5692 51.860 16.236 -15.952 1.00 0.00 WT2 O ATOM 32300 H1 TIP3 5692 52.778 16.178 -16.216 1.00 0.00 WT2 H ATOM 32301 H2 TIP3 5692 51.665 15.379 -15.571 1.00 0.00 WT2 H ATOM 32302 OH2 TIP3 5693 47.760 51.229 4.581 1.00 0.00 WT2 O ATOM 32303 H1 TIP3 5693 47.924 50.805 5.423 1.00 0.00 WT2 H ATOM 32304 H2 TIP3 5693 48.597 51.629 4.346 1.00 0.00 WT2 H ATOM 32305 OH2 TIP3 5694 49.169 57.914 59.959 1.00 0.00 WT2 O ATOM 32306 H1 TIP3 5694 49.386 58.757 59.561 1.00 0.00 WT2 H ATOM 32307 H2 TIP3 5694 48.383 57.625 59.495 1.00 0.00 WT2 H ATOM 32308 OH2 TIP3 5695 55.138 29.927 47.246 1.00 0.00 WT2 O ATOM 32309 H1 TIP3 5695 54.317 29.481 47.037 1.00 0.00 WT2 H ATOM 32310 H2 TIP3 5695 55.586 30.013 46.404 1.00 0.00 WT2 H ATOM 32311 OH2 TIP3 5697 61.583 28.686 18.123 1.00 0.00 WT2 O ATOM 32312 H1 TIP3 5697 62.527 28.843 18.154 1.00 0.00 WT2 H ATOM 32313 H2 TIP3 5697 61.192 29.554 18.225 1.00 0.00 WT2 H ATOM 32314 OH2 TIP3 5702 70.264 54.201 55.903 1.00 0.00 WT2 O ATOM 32315 H1 TIP3 5702 69.576 53.928 55.295 1.00 0.00 WT2 H ATOM 32316 H2 TIP3 5702 69.899 54.964 56.351 1.00 0.00 WT2 H ATOM 32317 OH2 TIP3 5710 42.655 57.766 51.090 1.00 0.00 WT2 O ATOM 32318 H1 TIP3 5710 41.810 57.351 51.263 1.00 0.00 WT2 H ATOM 32319 H2 TIP3 5710 42.498 58.326 50.330 1.00 0.00 WT2 H ATOM 32320 OH2 TIP3 5711 51.795 22.308 45.469 1.00 0.00 WT2 O ATOM 32321 H1 TIP3 5711 51.685 21.557 46.052 1.00 0.00 WT2 H ATOM 32322 H2 TIP3 5711 52.489 22.827 45.875 1.00 0.00 WT2 H ATOM 32323 OH2 TIP3 5713 59.547 68.443 43.773 1.00 0.00 WT2 O ATOM 32324 H1 TIP3 5713 59.055 69.128 44.226 1.00 0.00 WT2 H ATOM 32325 H2 TIP3 5713 58.877 67.837 43.455 1.00 0.00 WT2 H ATOM 32326 OH2 TIP3 5714 49.560 96.047 36.148 1.00 0.00 WT2 O ATOM 32327 H1 TIP3 5714 50.005 96.819 35.799 1.00 0.00 WT2 H ATOM 32328 H2 TIP3 5714 50.256 95.536 36.561 1.00 0.00 WT2 H ATOM 32329 OH2 TIP3 5716 50.411 27.876 32.137 1.00 0.00 WT2 O ATOM 32330 H1 TIP3 5716 50.020 27.409 31.399 1.00 0.00 WT2 H ATOM 32331 H2 TIP3 5716 50.514 28.775 31.826 1.00 0.00 WT2 H ATOM 32332 OH2 TIP3 5717 67.527 32.440 38.527 1.00 0.00 WT2 O ATOM 32333 H1 TIP3 5717 68.049 32.958 39.140 1.00 0.00 WT2 H ATOM 32334 H2 TIP3 5717 67.501 32.967 37.728 1.00 0.00 WT2 H ATOM 32335 OH2 TIP3 5720 68.975 42.732 2.355 1.00 0.00 WT2 O ATOM 32336 H1 TIP3 5720 69.073 43.237 3.162 1.00 0.00 WT2 H ATOM 32337 H2 TIP3 5720 69.721 42.993 1.816 1.00 0.00 WT2 H ATOM 32338 OH2 TIP3 5730 58.261 44.703 57.496 1.00 0.00 WT2 O ATOM 32339 H1 TIP3 5730 58.087 45.175 58.310 1.00 0.00 WT2 H ATOM 32340 H2 TIP3 5730 59.129 45.002 57.226 1.00 0.00 WT2 H ATOM 32341 OH2 TIP3 5734 29.146 10.540 -16.613 1.00 0.00 WT2 O ATOM 32342 H1 TIP3 5734 28.257 10.700 -16.296 1.00 0.00 WT2 H ATOM 32343 H2 TIP3 5734 29.525 11.413 -16.716 1.00 0.00 WT2 H ATOM 32344 OH2 TIP3 5735 40.639 70.931 -19.691 1.00 0.00 WT2 O ATOM 32345 H1 TIP3 5735 40.664 71.124 -18.754 1.00 0.00 WT2 H ATOM 32346 H2 TIP3 5735 41.556 70.812 -19.937 1.00 0.00 WT2 H ATOM 32347 OH2 TIP3 5736 58.687 86.203 33.857 1.00 0.00 WT2 O ATOM 32348 H1 TIP3 5736 58.766 87.042 33.401 1.00 0.00 WT2 H ATOM 32349 H2 TIP3 5736 58.541 85.564 33.160 1.00 0.00 WT2 H ATOM 32350 OH2 TIP3 5738 83.723 83.603 33.655 1.00 0.00 WT2 O ATOM 32351 H1 TIP3 5738 84.548 83.121 33.709 1.00 0.00 WT2 H ATOM 32352 H2 TIP3 5738 83.064 82.985 33.970 1.00 0.00 WT2 H ATOM 32353 OH2 TIP3 5740 53.974 95.151 7.864 1.00 0.00 WT2 O ATOM 32354 H1 TIP3 5740 54.801 95.607 8.020 1.00 0.00 WT2 H ATOM 32355 H2 TIP3 5740 53.802 94.680 8.679 1.00 0.00 WT2 H ATOM 32356 OH2 TIP3 5743 66.565 38.266 -17.839 1.00 0.00 WT2 O ATOM 32357 H1 TIP3 5743 66.095 37.451 -17.665 1.00 0.00 WT2 H ATOM 32358 H2 TIP3 5743 66.835 38.577 -16.974 1.00 0.00 WT2 H ATOM 32359 OH2 TIP3 5755 87.722 95.041 42.722 1.00 0.00 WT2 O ATOM 32360 H1 TIP3 5755 86.832 94.798 42.467 1.00 0.00 WT2 H ATOM 32361 H2 TIP3 5755 88.268 94.753 41.991 1.00 0.00 WT2 H ATOM 32362 OH2 TIP3 5756 80.907 18.605 -8.010 1.00 0.00 WT2 O ATOM 32363 H1 TIP3 5756 80.071 18.545 -7.548 1.00 0.00 WT2 H ATOM 32364 H2 TIP3 5756 81.283 17.727 -7.940 1.00 0.00 WT2 H ATOM 32365 OH2 TIP3 5758 64.119 24.723 -8.523 1.00 0.00 WT2 O ATOM 32366 H1 TIP3 5758 64.061 24.000 -9.147 1.00 0.00 WT2 H ATOM 32367 H2 TIP3 5758 64.274 24.299 -7.679 1.00 0.00 WT2 H ATOM 32368 OH2 TIP3 5759 79.053 86.422 -19.522 1.00 0.00 WT2 O ATOM 32369 H1 TIP3 5759 78.651 86.949 -18.831 1.00 0.00 WT2 H ATOM 32370 H2 TIP3 5759 79.734 86.986 -19.889 1.00 0.00 WT2 H ATOM 32371 OH2 TIP3 5761 31.238 63.204 61.378 1.00 0.00 WT2 O ATOM 32372 H1 TIP3 5761 30.763 62.590 60.819 1.00 0.00 WT2 H ATOM 32373 H2 TIP3 5761 31.691 62.650 62.013 1.00 0.00 WT2 H ATOM 32374 OH2 TIP3 5762 44.131 9.323 -18.075 1.00 0.00 WT2 O ATOM 32375 H1 TIP3 5762 44.572 8.572 -17.678 1.00 0.00 WT2 H ATOM 32376 H2 TIP3 5762 44.776 9.687 -18.681 1.00 0.00 WT2 H ATOM 32377 OH2 TIP3 5764 86.449 85.015 -5.803 1.00 0.00 WT2 O ATOM 32378 H1 TIP3 5764 87.317 84.642 -5.955 1.00 0.00 WT2 H ATOM 32379 H2 TIP3 5764 86.540 85.513 -4.991 1.00 0.00 WT2 H ATOM 32380 OH2 TIP3 5767 38.513 29.248 45.055 1.00 0.00 WT2 O ATOM 32381 H1 TIP3 5767 38.808 30.056 44.635 1.00 0.00 WT2 H ATOM 32382 H2 TIP3 5767 37.968 28.820 44.395 1.00 0.00 WT2 H ATOM 32383 OH2 TIP3 5768 75.243 87.995 -17.680 1.00 0.00 WT2 O ATOM 32384 H1 TIP3 5768 74.552 87.440 -18.042 1.00 0.00 WT2 H ATOM 32385 H2 TIP3 5768 75.137 88.834 -18.129 1.00 0.00 WT2 H ATOM 32386 OH2 TIP3 5775 65.556 48.049 46.002 1.00 0.00 WT2 O ATOM 32387 H1 TIP3 5775 65.486 48.411 45.118 1.00 0.00 WT2 H ATOM 32388 H2 TIP3 5775 65.907 47.168 45.874 1.00 0.00 WT2 H ATOM 32389 OH2 TIP3 5777 73.057 89.451 1.721 1.00 0.00 WT2 O ATOM 32390 H1 TIP3 5777 72.200 89.875 1.763 1.00 0.00 WT2 H ATOM 32391 H2 TIP3 5777 73.601 89.948 2.331 1.00 0.00 WT2 H ATOM 32392 OH2 TIP3 5778 77.830 4.038 51.456 1.00 0.00 WT2 O ATOM 32393 H1 TIP3 5778 77.503 3.478 50.752 1.00 0.00 WT2 H ATOM 32394 H2 TIP3 5778 78.317 3.445 52.029 1.00 0.00 WT2 H ATOM 32395 OH2 TIP3 5779 72.666 33.561 50.307 1.00 0.00 WT2 O ATOM 32396 H1 TIP3 5779 72.053 33.056 50.841 1.00 0.00 WT2 H ATOM 32397 H2 TIP3 5779 73.085 32.910 49.743 1.00 0.00 WT2 H ATOM 32398 OH2 TIP3 5780 81.115 77.896 63.224 1.00 0.00 WT2 O ATOM 32399 H1 TIP3 5780 81.823 77.931 63.867 1.00 0.00 WT2 H ATOM 32400 H2 TIP3 5780 81.455 77.341 62.522 1.00 0.00 WT2 H ATOM 32401 OH2 TIP3 5795 32.951 86.982 57.964 1.00 0.00 WT2 O ATOM 32402 H1 TIP3 5795 33.391 86.253 57.527 1.00 0.00 WT2 H ATOM 32403 H2 TIP3 5795 32.521 86.583 58.720 1.00 0.00 WT2 H ATOM 32404 OH2 TIP3 5797 58.516 2.811 -4.074 1.00 0.00 WT2 O ATOM 32405 H1 TIP3 5797 59.317 2.505 -3.647 1.00 0.00 WT2 H ATOM 32406 H2 TIP3 5797 57.968 3.128 -3.356 1.00 0.00 WT2 H ATOM 32407 OH2 TIP3 5798 56.426 28.073 48.913 1.00 0.00 WT2 O ATOM 32408 H1 TIP3 5798 56.238 28.885 48.442 1.00 0.00 WT2 H ATOM 32409 H2 TIP3 5798 56.625 27.437 48.225 1.00 0.00 WT2 H ATOM 32410 OH2 TIP3 5799 32.882 42.835 41.996 1.00 0.00 WT2 O ATOM 32411 H1 TIP3 5799 32.152 43.447 41.906 1.00 0.00 WT2 H ATOM 32412 H2 TIP3 5799 32.823 42.275 41.223 1.00 0.00 WT2 H ATOM 32413 OH2 TIP3 5800 48.579 22.456 47.109 1.00 0.00 WT2 O ATOM 32414 H1 TIP3 5800 48.934 23.096 46.492 1.00 0.00 WT2 H ATOM 32415 H2 TIP3 5800 48.102 21.833 46.561 1.00 0.00 WT2 H ATOM 32416 OH2 TIP3 5801 58.158 86.827 -8.237 1.00 0.00 WT2 O ATOM 32417 H1 TIP3 5801 57.604 86.047 -8.207 1.00 0.00 WT2 H ATOM 32418 H2 TIP3 5801 58.305 87.053 -7.319 1.00 0.00 WT2 H ATOM 32419 OH2 TIP3 5802 70.024 7.891 -15.708 1.00 0.00 WT2 O ATOM 32420 H1 TIP3 5802 70.768 7.774 -16.298 1.00 0.00 WT2 H ATOM 32421 H2 TIP3 5802 70.202 7.298 -14.977 1.00 0.00 WT2 H ATOM 32422 OH2 TIP3 5818 74.064 14.154 41.677 1.00 0.00 WT2 O ATOM 32423 H1 TIP3 5818 74.614 14.535 40.992 1.00 0.00 WT2 H ATOM 32424 H2 TIP3 5818 73.273 14.693 41.677 1.00 0.00 WT2 H ATOM 32425 OH2 TIP3 5819 88.714 2.371 32.220 1.00 0.00 WT2 O ATOM 32426 H1 TIP3 5819 88.137 2.612 32.945 1.00 0.00 WT2 H ATOM 32427 H2 TIP3 5819 89.500 2.900 32.353 1.00 0.00 WT2 H ATOM 32428 OH2 TIP3 5820 74.253 52.139 37.503 1.00 0.00 WT2 O ATOM 32429 H1 TIP3 5820 74.339 53.028 37.159 1.00 0.00 WT2 H ATOM 32430 H2 TIP3 5820 73.642 52.223 38.235 1.00 0.00 WT2 H ATOM 32431 OH2 TIP3 5821 65.668 24.389 -0.286 1.00 0.00 WT2 O ATOM 32432 H1 TIP3 5821 66.191 24.822 0.389 1.00 0.00 WT2 H ATOM 32433 H2 TIP3 5821 66.035 23.507 -0.345 1.00 0.00 WT2 H ATOM 32434 OH2 TIP3 5822 24.279 52.339 24.519 1.00 0.00 WT2 O ATOM 32435 H1 TIP3 5822 24.707 53.060 24.058 1.00 0.00 WT2 H ATOM 32436 H2 TIP3 5822 24.872 52.128 25.240 1.00 0.00 WT2 H ATOM 32437 OH2 TIP3 5823 24.414 26.953 55.191 1.00 0.00 WT2 O ATOM 32438 H1 TIP3 5823 25.167 26.639 54.690 1.00 0.00 WT2 H ATOM 32439 H2 TIP3 5823 24.187 26.223 55.767 1.00 0.00 WT2 H ATOM 32440 OH2 TIP3 5825 70.188 82.008 2.846 1.00 0.00 WT2 O ATOM 32441 H1 TIP3 5825 69.449 81.843 2.260 1.00 0.00 WT2 H ATOM 32442 H2 TIP3 5825 70.716 81.211 2.796 1.00 0.00 WT2 H ATOM 32443 OH2 TIP3 5828 42.580 61.310 61.114 1.00 0.00 WT2 O ATOM 32444 H1 TIP3 5828 43.500 61.544 60.991 1.00 0.00 WT2 H ATOM 32445 H2 TIP3 5828 42.597 60.380 61.340 1.00 0.00 WT2 H ATOM 32446 OH2 TIP3 5836 65.855 79.071 48.689 1.00 0.00 WT2 O ATOM 32447 H1 TIP3 5836 64.917 78.884 48.650 1.00 0.00 WT2 H ATOM 32448 H2 TIP3 5836 66.275 78.227 48.522 1.00 0.00 WT2 H ATOM 32449 OH2 TIP3 5837 81.214 52.741 51.839 1.00 0.00 WT2 O ATOM 32450 H1 TIP3 5837 81.285 52.978 50.914 1.00 0.00 WT2 H ATOM 32451 H2 TIP3 5837 81.020 53.566 52.284 1.00 0.00 WT2 H ATOM 32452 OH2 TIP3 5839 42.806 25.075 30.335 1.00 0.00 WT2 O ATOM 32453 H1 TIP3 5839 42.714 24.231 29.893 1.00 0.00 WT2 H ATOM 32454 H2 TIP3 5839 42.136 25.629 29.934 1.00 0.00 WT2 H ATOM 32455 OH2 TIP3 5840 57.933 49.742 40.550 1.00 0.00 WT2 O ATOM 32456 H1 TIP3 5840 57.731 50.618 40.222 1.00 0.00 WT2 H ATOM 32457 H2 TIP3 5840 57.257 49.181 40.169 1.00 0.00 WT2 H ATOM 32458 OH2 TIP3 5841 74.639 2.282 -14.272 1.00 0.00 WT2 O ATOM 32459 H1 TIP3 5841 73.879 2.602 -13.785 1.00 0.00 WT2 H ATOM 32460 H2 TIP3 5841 74.525 2.635 -15.154 1.00 0.00 WT2 H ATOM 32461 OH2 TIP3 5843 83.579 8.448 35.369 1.00 0.00 WT2 O ATOM 32462 H1 TIP3 5843 83.766 8.478 34.431 1.00 0.00 WT2 H ATOM 32463 H2 TIP3 5843 82.696 8.083 35.426 1.00 0.00 WT2 H ATOM 32464 OH2 TIP3 5844 35.530 47.643 45.161 1.00 0.00 WT2 O ATOM 32465 H1 TIP3 5844 36.416 47.703 44.805 1.00 0.00 WT2 H ATOM 32466 H2 TIP3 5844 35.477 48.356 45.796 1.00 0.00 WT2 H ATOM 32467 OH2 TIP3 5846 59.002 30.246 43.099 1.00 0.00 WT2 O ATOM 32468 H1 TIP3 5846 58.553 29.490 42.721 1.00 0.00 WT2 H ATOM 32469 H2 TIP3 5846 58.533 31.004 42.750 1.00 0.00 WT2 H ATOM 32470 OH2 TIP3 5859 60.780 15.824 55.560 1.00 0.00 WT2 O ATOM 32471 H1 TIP3 5859 60.791 15.531 56.471 1.00 0.00 WT2 H ATOM 32472 H2 TIP3 5859 60.551 16.752 55.609 1.00 0.00 WT2 H ATOM 32473 OH2 TIP3 5860 46.513 80.003 36.632 1.00 0.00 WT2 O ATOM 32474 H1 TIP3 5860 46.993 79.347 36.126 1.00 0.00 WT2 H ATOM 32475 H2 TIP3 5860 46.033 80.508 35.976 1.00 0.00 WT2 H ATOM 32476 OH2 TIP3 5861 47.096 11.810 36.804 1.00 0.00 WT2 O ATOM 32477 H1 TIP3 5861 47.632 11.161 37.260 1.00 0.00 WT2 H ATOM 32478 H2 TIP3 5861 47.689 12.203 36.163 1.00 0.00 WT2 H ATOM 32479 OH2 TIP3 5862 41.130 81.498 -14.662 1.00 0.00 WT2 O ATOM 32480 H1 TIP3 5862 42.063 81.594 -14.472 1.00 0.00 WT2 H ATOM 32481 H2 TIP3 5862 40.747 81.197 -13.838 1.00 0.00 WT2 H ATOM 32482 OH2 TIP3 5863 57.469 41.153 60.030 1.00 0.00 WT2 O ATOM 32483 H1 TIP3 5863 58.237 41.374 59.504 1.00 0.00 WT2 H ATOM 32484 H2 TIP3 5863 56.779 41.731 59.703 1.00 0.00 WT2 H ATOM 32485 OH2 TIP3 5865 50.828 15.506 66.279 1.00 0.00 WT2 O ATOM 32486 H1 TIP3 5865 51.713 15.850 66.398 1.00 0.00 WT2 H ATOM 32487 H2 TIP3 5865 50.261 16.148 66.706 1.00 0.00 WT2 H ATOM 32488 OH2 TIP3 5866 83.788 86.496 33.605 1.00 0.00 WT2 O ATOM 32489 H1 TIP3 5866 83.903 85.569 33.396 1.00 0.00 WT2 H ATOM 32490 H2 TIP3 5866 82.931 86.541 34.030 1.00 0.00 WT2 H ATOM 32491 OH2 TIP3 5869 43.604 24.003 62.520 1.00 0.00 WT2 O ATOM 32492 H1 TIP3 5869 43.152 23.924 61.680 1.00 0.00 WT2 H ATOM 32493 H2 TIP3 5869 43.196 24.760 62.941 1.00 0.00 WT2 H ATOM 32494 OH2 TIP3 5881 43.075 18.162 30.763 1.00 0.00 WT2 O ATOM 32495 H1 TIP3 5881 42.468 18.150 31.503 1.00 0.00 WT2 H ATOM 32496 H2 TIP3 5881 42.818 17.410 30.230 1.00 0.00 WT2 H ATOM 32497 OH2 TIP3 5883 90.294 53.117 18.036 1.00 0.00 WT2 O ATOM 32498 H1 TIP3 5883 90.864 52.646 18.644 1.00 0.00 WT2 H ATOM 32499 H2 TIP3 5883 89.829 52.428 17.561 1.00 0.00 WT2 H ATOM 32500 OH2 TIP3 5884 57.366 63.058 61.162 1.00 0.00 WT2 O ATOM 32501 H1 TIP3 5884 56.482 63.414 61.258 1.00 0.00 WT2 H ATOM 32502 H2 TIP3 5884 57.231 62.128 60.981 1.00 0.00 WT2 H ATOM 32503 OH2 TIP3 5885 61.084 37.458 51.106 1.00 0.00 WT2 O ATOM 32504 H1 TIP3 5885 61.710 38.112 50.796 1.00 0.00 WT2 H ATOM 32505 H2 TIP3 5885 60.929 36.895 50.348 1.00 0.00 WT2 H ATOM 32506 OH2 TIP3 5886 31.096 72.717 21.342 1.00 0.00 WT2 O ATOM 32507 H1 TIP3 5886 30.434 72.194 21.796 1.00 0.00 WT2 H ATOM 32508 H2 TIP3 5886 31.467 73.277 22.023 1.00 0.00 WT2 H ATOM 32509 OH2 TIP3 5887 72.410 7.978 64.352 1.00 0.00 WT2 O ATOM 32510 H1 TIP3 5887 72.283 7.267 64.981 1.00 0.00 WT2 H ATOM 32511 H2 TIP3 5887 72.467 8.767 64.890 1.00 0.00 WT2 H ATOM 32512 OH2 TIP3 5889 83.824 2.737 36.036 1.00 0.00 WT2 O ATOM 32513 H1 TIP3 5889 82.941 2.543 35.722 1.00 0.00 WT2 H ATOM 32514 H2 TIP3 5889 84.289 1.902 35.977 1.00 0.00 WT2 H ATOM 32515 OH2 TIP3 5899 67.744 26.680 50.408 1.00 0.00 WT2 O ATOM 32516 H1 TIP3 5899 67.018 27.282 50.243 1.00 0.00 WT2 H ATOM 32517 H2 TIP3 5899 68.399 26.907 49.748 1.00 0.00 WT2 H ATOM 32518 OH2 TIP3 5901 31.958 47.482 5.030 1.00 0.00 WT2 O ATOM 32519 H1 TIP3 5901 31.138 47.689 4.582 1.00 0.00 WT2 H ATOM 32520 H2 TIP3 5901 32.257 46.670 4.620 1.00 0.00 WT2 H ATOM 32521 OH2 TIP3 5903 48.633 58.694 52.902 1.00 0.00 WT2 O ATOM 32522 H1 TIP3 5903 47.812 59.167 53.033 1.00 0.00 WT2 H ATOM 32523 H2 TIP3 5903 48.768 58.706 51.954 1.00 0.00 WT2 H ATOM 32524 OH2 TIP3 5904 53.296 61.806 -14.022 1.00 0.00 WT2 O ATOM 32525 H1 TIP3 5904 52.500 61.664 -13.510 1.00 0.00 WT2 H ATOM 32526 H2 TIP3 5904 53.536 62.715 -13.845 1.00 0.00 WT2 H ATOM 32527 OH2 TIP3 5905 57.180 9.464 39.135 1.00 0.00 WT2 O ATOM 32528 H1 TIP3 5905 57.820 10.086 39.481 1.00 0.00 WT2 H ATOM 32529 H2 TIP3 5905 57.385 9.404 38.202 1.00 0.00 WT2 H ATOM 32530 OH2 TIP3 5906 54.482 31.256 59.356 1.00 0.00 WT2 O ATOM 32531 H1 TIP3 5906 55.110 30.780 58.812 1.00 0.00 WT2 H ATOM 32532 H2 TIP3 5906 53.775 31.491 58.755 1.00 0.00 WT2 H ATOM 32533 OH2 TIP3 5909 39.594 35.235 32.998 1.00 0.00 WT2 O ATOM 32534 H1 TIP3 5909 39.813 36.115 32.691 1.00 0.00 WT2 H ATOM 32535 H2 TIP3 5909 38.993 34.893 32.336 1.00 0.00 WT2 H ATOM 32536 OH2 TIP3 5911 22.883 89.369 -18.256 1.00 0.00 WT2 O ATOM 32537 H1 TIP3 5911 22.177 89.909 -18.611 1.00 0.00 WT2 H ATOM 32538 H2 TIP3 5911 22.508 88.490 -18.201 1.00 0.00 WT2 H ATOM 32539 OH2 TIP3 5920 86.499 71.892 4.055 1.00 0.00 WT2 O ATOM 32540 H1 TIP3 5920 85.758 72.220 4.566 1.00 0.00 WT2 H ATOM 32541 H2 TIP3 5920 86.227 71.018 3.773 1.00 0.00 WT2 H ATOM 32542 OH2 TIP3 5925 71.564 20.099 -15.875 1.00 0.00 WT2 O ATOM 32543 H1 TIP3 5925 71.036 20.422 -15.145 1.00 0.00 WT2 H ATOM 32544 H2 TIP3 5925 71.642 19.158 -15.717 1.00 0.00 WT2 H ATOM 32545 OH2 TIP3 5926 59.627 67.806 -1.201 1.00 0.00 WT2 O ATOM 32546 H1 TIP3 5926 59.260 68.597 -1.597 1.00 0.00 WT2 H ATOM 32547 H2 TIP3 5926 58.920 67.164 -1.247 1.00 0.00 WT2 H ATOM 32548 OH2 TIP3 5927 50.585 3.959 52.763 1.00 0.00 WT2 O ATOM 32549 H1 TIP3 5927 49.904 3.652 52.164 1.00 0.00 WT2 H ATOM 32550 H2 TIP3 5927 51.052 4.633 52.270 1.00 0.00 WT2 H ATOM 32551 OH2 TIP3 5928 52.294 41.673 -15.098 1.00 0.00 WT2 O ATOM 32552 H1 TIP3 5928 52.652 41.776 -14.216 1.00 0.00 WT2 H ATOM 32553 H2 TIP3 5928 53.046 41.789 -15.678 1.00 0.00 WT2 H ATOM 32554 OH2 TIP3 5941 61.829 45.289 -16.469 1.00 0.00 WT2 O ATOM 32555 H1 TIP3 5941 62.490 45.550 -15.828 1.00 0.00 WT2 H ATOM 32556 H2 TIP3 5941 61.017 45.228 -15.966 1.00 0.00 WT2 H ATOM 32557 OH2 TIP3 5945 70.457 40.436 -1.028 1.00 0.00 WT2 O ATOM 32558 H1 TIP3 5945 69.991 39.694 -1.414 1.00 0.00 WT2 H ATOM 32559 H2 TIP3 5945 71.105 40.036 -0.448 1.00 0.00 WT2 H ATOM 32560 OH2 TIP3 5946 34.800 38.773 64.901 1.00 0.00 WT2 O ATOM 32561 H1 TIP3 5946 35.576 38.229 64.769 1.00 0.00 WT2 H ATOM 32562 H2 TIP3 5946 35.148 39.635 65.132 1.00 0.00 WT2 H ATOM 32563 OH2 TIP3 5947 43.217 37.857 8.258 1.00 0.00 WT2 O ATOM 32564 H1 TIP3 5947 43.580 38.708 8.504 1.00 0.00 WT2 H ATOM 32565 H2 TIP3 5947 43.531 37.257 8.934 1.00 0.00 WT2 H ATOM 32566 OH2 TIP3 5948 32.152 95.197 10.344 1.00 0.00 WT2 O ATOM 32567 H1 TIP3 5948 31.366 94.744 10.648 1.00 0.00 WT2 H ATOM 32568 H2 TIP3 5948 31.975 96.123 10.510 1.00 0.00 WT2 H ATOM 32569 OH2 TIP3 5949 64.766 88.269 37.610 1.00 0.00 WT2 O ATOM 32570 H1 TIP3 5949 65.703 88.125 37.741 1.00 0.00 WT2 H ATOM 32571 H2 TIP3 5949 64.363 87.424 37.807 1.00 0.00 WT2 H ATOM 32572 OH2 TIP3 5950 81.366 75.356 16.319 1.00 0.00 WT2 O ATOM 32573 H1 TIP3 5950 80.915 74.563 16.609 1.00 0.00 WT2 H ATOM 32574 H2 TIP3 5950 82.220 75.049 16.016 1.00 0.00 WT2 H ATOM 32575 OH2 TIP3 5964 61.872 15.455 63.166 1.00 0.00 WT2 O ATOM 32576 H1 TIP3 5964 61.632 15.211 64.061 1.00 0.00 WT2 H ATOM 32577 H2 TIP3 5964 62.630 14.908 62.963 1.00 0.00 WT2 H ATOM 32578 OH2 TIP3 5965 67.027 16.816 17.952 1.00 0.00 WT2 O ATOM 32579 H1 TIP3 5965 66.880 16.752 17.009 1.00 0.00 WT2 H ATOM 32580 H2 TIP3 5965 67.725 17.465 18.043 1.00 0.00 WT2 H ATOM 32581 OH2 TIP3 5966 81.488 93.446 25.069 1.00 0.00 WT2 O ATOM 32582 H1 TIP3 5966 81.323 93.576 26.003 1.00 0.00 WT2 H ATOM 32583 H2 TIP3 5966 80.668 93.091 24.728 1.00 0.00 WT2 H ATOM 32584 OH2 TIP3 5968 47.914 28.734 33.623 1.00 0.00 WT2 O ATOM 32585 H1 TIP3 5968 48.363 28.257 32.925 1.00 0.00 WT2 H ATOM 32586 H2 TIP3 5968 48.604 28.946 34.251 1.00 0.00 WT2 H ATOM 32587 OH2 TIP3 5969 54.958 38.276 52.761 1.00 0.00 WT2 O ATOM 32588 H1 TIP3 5969 54.644 39.119 52.435 1.00 0.00 WT2 H ATOM 32589 H2 TIP3 5969 54.315 38.021 53.423 1.00 0.00 WT2 H ATOM 32590 OH2 TIP3 5970 75.769 8.492 9.346 1.00 0.00 WT2 O ATOM 32591 H1 TIP3 5970 75.906 9.431 9.213 1.00 0.00 WT2 H ATOM 32592 H2 TIP3 5970 76.295 8.075 8.664 1.00 0.00 WT2 H ATOM 32593 OH2 TIP3 5986 82.064 26.467 15.887 1.00 0.00 WT2 O ATOM 32594 H1 TIP3 5986 81.705 27.299 16.195 1.00 0.00 WT2 H ATOM 32595 H2 TIP3 5986 81.324 26.028 15.466 1.00 0.00 WT2 H ATOM 32596 OH2 TIP3 5987 77.389 52.389 -11.943 1.00 0.00 WT2 O ATOM 32597 H1 TIP3 5987 77.810 51.605 -11.589 1.00 0.00 WT2 H ATOM 32598 H2 TIP3 5987 76.511 52.383 -11.562 1.00 0.00 WT2 H ATOM 32599 OH2 TIP3 5988 55.305 40.909 51.573 1.00 0.00 WT2 O ATOM 32600 H1 TIP3 5988 55.043 40.653 50.689 1.00 0.00 WT2 H ATOM 32601 H2 TIP3 5988 55.203 41.861 51.586 1.00 0.00 WT2 H ATOM 32602 OH2 TIP3 5989 48.824 35.555 50.433 1.00 0.00 WT2 O ATOM 32603 H1 TIP3 5989 49.427 36.012 49.846 1.00 0.00 WT2 H ATOM 32604 H2 TIP3 5989 47.978 35.599 49.988 1.00 0.00 WT2 H ATOM 32605 OH2 TIP3 5990 41.824 37.565 -6.148 1.00 0.00 WT2 O ATOM 32606 H1 TIP3 5990 41.322 37.594 -6.962 1.00 0.00 WT2 H ATOM 32607 H2 TIP3 5990 42.069 36.644 -6.050 1.00 0.00 WT2 H ATOM 32608 OH2 TIP3 5991 60.727 34.400 -15.255 1.00 0.00 WT2 O ATOM 32609 H1 TIP3 5991 60.860 35.112 -14.629 1.00 0.00 WT2 H ATOM 32610 H2 TIP3 5991 60.159 33.780 -14.797 1.00 0.00 WT2 H ATOM 32611 OH2 TIP3 5992 68.585 36.651 -6.881 1.00 0.00 WT2 O ATOM 32612 H1 TIP3 5992 68.995 37.153 -7.586 1.00 0.00 WT2 H ATOM 32613 H2 TIP3 5992 68.765 37.157 -6.090 1.00 0.00 WT2 H ATOM 32614 OH2 TIP3 5994 80.475 25.852 53.616 1.00 0.00 WT2 O ATOM 32615 H1 TIP3 5994 81.378 26.147 53.492 1.00 0.00 WT2 H ATOM 32616 H2 TIP3 5994 80.299 25.295 52.858 1.00 0.00 WT2 H ATOM 32617 OH2 TIP3 6006 34.225 42.327 44.637 1.00 0.00 WT2 O ATOM 32618 H1 TIP3 6006 33.490 41.860 45.032 1.00 0.00 WT2 H ATOM 32619 H2 TIP3 6006 33.892 43.211 44.482 1.00 0.00 WT2 H ATOM 32620 OH2 TIP3 6009 47.449 34.908 -0.359 1.00 0.00 WT2 O ATOM 32621 H1 TIP3 6009 48.131 35.526 -0.094 1.00 0.00 WT2 H ATOM 32622 H2 TIP3 6009 46.834 34.900 0.374 1.00 0.00 WT2 H ATOM 32623 OH2 TIP3 6011 80.375 56.486 29.955 1.00 0.00 WT2 O ATOM 32624 H1 TIP3 6011 79.797 56.653 29.210 1.00 0.00 WT2 H ATOM 32625 H2 TIP3 6011 81.244 56.745 29.648 1.00 0.00 WT2 H ATOM 32626 OH2 TIP3 6013 36.654 38.604 -9.828 1.00 0.00 WT2 O ATOM 32627 H1 TIP3 6013 35.840 39.023 -10.107 1.00 0.00 WT2 H ATOM 32628 H2 TIP3 6013 36.421 37.683 -9.710 1.00 0.00 WT2 H ATOM 32629 OH2 TIP3 6014 81.915 85.007 16.960 1.00 0.00 WT2 O ATOM 32630 H1 TIP3 6014 82.274 84.127 17.075 1.00 0.00 WT2 H ATOM 32631 H2 TIP3 6014 81.794 85.335 17.851 1.00 0.00 WT2 H ATOM 32632 OH2 TIP3 6019 54.356 27.009 57.598 1.00 0.00 WT2 O ATOM 32633 H1 TIP3 6019 54.304 27.644 56.883 1.00 0.00 WT2 H ATOM 32634 H2 TIP3 6019 54.609 27.527 58.362 1.00 0.00 WT2 H ATOM 32635 OH2 TIP3 6027 56.911 13.284 -12.376 1.00 0.00 WT2 O ATOM 32636 H1 TIP3 6027 56.424 12.881 -13.095 1.00 0.00 WT2 H ATOM 32637 H2 TIP3 6027 57.531 13.873 -12.806 1.00 0.00 WT2 H ATOM 32638 OH2 TIP3 6028 29.791 46.796 9.172 1.00 0.00 WT2 O ATOM 32639 H1 TIP3 6028 30.514 47.398 8.997 1.00 0.00 WT2 H ATOM 32640 H2 TIP3 6028 29.013 47.354 9.192 1.00 0.00 WT2 H ATOM 32641 OH2 TIP3 6029 64.169 29.503 17.977 1.00 0.00 WT2 O ATOM 32642 H1 TIP3 6029 64.625 29.821 17.197 1.00 0.00 WT2 H ATOM 32643 H2 TIP3 6029 63.819 30.293 18.389 1.00 0.00 WT2 H ATOM 32644 OH2 TIP3 6030 77.393 64.136 64.108 1.00 0.00 WT2 O ATOM 32645 H1 TIP3 6030 77.662 63.294 64.475 1.00 0.00 WT2 H ATOM 32646 H2 TIP3 6030 77.021 63.919 63.254 1.00 0.00 WT2 H ATOM 32647 OH2 TIP3 6031 42.625 94.963 -2.319 1.00 0.00 WT2 O ATOM 32648 H1 TIP3 6031 43.208 94.472 -2.898 1.00 0.00 WT2 H ATOM 32649 H2 TIP3 6031 41.749 94.803 -2.669 1.00 0.00 WT2 H ATOM 32650 OH2 TIP3 6034 35.519 38.091 14.430 1.00 0.00 WT2 O ATOM 32651 H1 TIP3 6034 35.469 38.985 14.091 1.00 0.00 WT2 H ATOM 32652 H2 TIP3 6034 34.609 37.798 14.471 1.00 0.00 WT2 H ATOM 32653 OH2 TIP3 6035 45.619 55.836 48.109 1.00 0.00 WT2 O ATOM 32654 H1 TIP3 6035 45.257 55.032 47.738 1.00 0.00 WT2 H ATOM 32655 H2 TIP3 6035 44.965 56.507 47.915 1.00 0.00 WT2 H ATOM 32656 OH2 TIP3 6036 78.566 34.108 -16.908 1.00 0.00 WT2 O ATOM 32657 H1 TIP3 6036 79.067 34.745 -16.399 1.00 0.00 WT2 H ATOM 32658 H2 TIP3 6036 79.190 33.407 -17.098 1.00 0.00 WT2 H ATOM 32659 OH2 TIP3 6037 75.237 23.566 36.264 1.00 0.00 WT2 O ATOM 32660 H1 TIP3 6037 75.841 23.820 35.567 1.00 0.00 WT2 H ATOM 32661 H2 TIP3 6037 75.496 24.102 37.014 1.00 0.00 WT2 H ATOM 32662 OH2 TIP3 6046 70.426 63.002 39.013 1.00 0.00 WT2 O ATOM 32663 H1 TIP3 6046 69.704 63.436 39.468 1.00 0.00 WT2 H ATOM 32664 H2 TIP3 6046 70.016 62.579 38.259 1.00 0.00 WT2 H ATOM 32665 OH2 TIP3 6048 44.750 39.717 61.384 1.00 0.00 WT2 O ATOM 32666 H1 TIP3 6048 44.552 40.327 62.094 1.00 0.00 WT2 H ATOM 32667 H2 TIP3 6048 43.903 39.340 61.148 1.00 0.00 WT2 H ATOM 32668 OH2 TIP3 6049 24.994 44.715 38.801 1.00 0.00 WT2 O ATOM 32669 H1 TIP3 6049 24.944 44.031 38.134 1.00 0.00 WT2 H ATOM 32670 H2 TIP3 6049 25.369 44.277 39.566 1.00 0.00 WT2 H ATOM 32671 OH2 TIP3 6051 23.467 24.277 52.420 1.00 0.00 WT2 O ATOM 32672 H1 TIP3 6051 22.674 23.829 52.127 1.00 0.00 WT2 H ATOM 32673 H2 TIP3 6051 23.817 23.717 53.113 1.00 0.00 WT2 H ATOM 32674 OH2 TIP3 6054 29.602 35.158 59.687 1.00 0.00 WT2 O ATOM 32675 H1 TIP3 6054 29.554 36.010 60.122 1.00 0.00 WT2 H ATOM 32676 H2 TIP3 6054 29.099 35.273 58.881 1.00 0.00 WT2 H ATOM 32677 OH2 TIP3 6068 56.151 55.515 52.868 1.00 0.00 WT2 O ATOM 32678 H1 TIP3 6068 55.728 55.144 52.094 1.00 0.00 WT2 H ATOM 32679 H2 TIP3 6068 55.562 56.214 53.153 1.00 0.00 WT2 H ATOM 32680 OH2 TIP3 6070 85.534 77.296 6.520 1.00 0.00 WT2 O ATOM 32681 H1 TIP3 6070 85.949 76.451 6.344 1.00 0.00 WT2 H ATOM 32682 H2 TIP3 6070 84.766 77.081 7.049 1.00 0.00 WT2 H ATOM 32683 OH2 TIP3 6072 56.882 14.128 50.646 1.00 0.00 WT2 O ATOM 32684 H1 TIP3 6072 56.325 14.759 50.189 1.00 0.00 WT2 H ATOM 32685 H2 TIP3 6072 57.254 14.622 51.377 1.00 0.00 WT2 H ATOM 32686 OH2 TIP3 6073 49.633 30.371 41.331 1.00 0.00 WT2 O ATOM 32687 H1 TIP3 6073 49.811 30.913 40.562 1.00 0.00 WT2 H ATOM 32688 H2 TIP3 6073 50.432 30.430 41.855 1.00 0.00 WT2 H ATOM 32689 OH2 TIP3 6074 36.222 31.116 -6.435 1.00 0.00 WT2 O ATOM 32690 H1 TIP3 6074 36.196 31.848 -7.051 1.00 0.00 WT2 H ATOM 32691 H2 TIP3 6074 35.325 30.783 -6.419 1.00 0.00 WT2 H ATOM 32692 OH2 TIP3 6075 57.076 82.892 -19.242 1.00 0.00 WT2 O ATOM 32693 H1 TIP3 6075 56.914 82.052 -18.813 1.00 0.00 WT2 H ATOM 32694 H2 TIP3 6075 56.935 82.718 -20.173 1.00 0.00 WT2 H ATOM 32695 OH2 TIP3 6077 63.473 93.745 -8.083 1.00 0.00 WT2 O ATOM 32696 H1 TIP3 6077 63.881 93.309 -8.831 1.00 0.00 WT2 H ATOM 32697 H2 TIP3 6077 62.535 93.598 -8.202 1.00 0.00 WT2 H ATOM 32698 OH2 TIP3 6079 77.241 20.748 57.581 1.00 0.00 WT2 O ATOM 32699 H1 TIP3 6079 77.940 20.095 57.548 1.00 0.00 WT2 H ATOM 32700 H2 TIP3 6079 77.430 21.338 56.851 1.00 0.00 WT2 H ATOM 32701 OH2 TIP3 6090 60.486 86.911 58.942 1.00 0.00 WT2 O ATOM 32702 H1 TIP3 6090 60.091 87.621 59.449 1.00 0.00 WT2 H ATOM 32703 H2 TIP3 6090 60.300 86.121 59.451 1.00 0.00 WT2 H ATOM 32704 OH2 TIP3 6091 72.106 92.478 21.240 1.00 0.00 WT2 O ATOM 32705 H1 TIP3 6091 71.505 92.979 21.791 1.00 0.00 WT2 H ATOM 32706 H2 TIP3 6091 72.141 92.967 20.417 1.00 0.00 WT2 H ATOM 32707 OH2 TIP3 6093 75.547 34.534 -19.059 1.00 0.00 WT2 O ATOM 32708 H1 TIP3 6093 75.741 33.931 -18.341 1.00 0.00 WT2 H ATOM 32709 H2 TIP3 6093 74.658 34.305 -19.332 1.00 0.00 WT2 H ATOM 32710 OH2 TIP3 6095 85.015 59.528 18.713 1.00 0.00 WT2 O ATOM 32711 H1 TIP3 6095 84.113 59.825 18.598 1.00 0.00 WT2 H ATOM 32712 H2 TIP3 6095 85.105 58.792 18.107 1.00 0.00 WT2 H ATOM 32713 OH2 TIP3 6096 80.276 46.902 -13.854 1.00 0.00 WT2 O ATOM 32714 H1 TIP3 6096 80.319 46.042 -13.435 1.00 0.00 WT2 H ATOM 32715 H2 TIP3 6096 81.171 47.238 -13.802 1.00 0.00 WT2 H ATOM 32716 OH2 TIP3 6097 23.736 60.236 27.962 1.00 0.00 WT2 O ATOM 32717 H1 TIP3 6097 23.188 60.959 28.267 1.00 0.00 WT2 H ATOM 32718 H2 TIP3 6097 24.633 60.538 28.106 1.00 0.00 WT2 H ATOM 32719 OH2 TIP3 6098 44.958 36.595 24.288 1.00 0.00 WT2 O ATOM 32720 H1 TIP3 6098 44.053 36.530 23.984 1.00 0.00 WT2 H ATOM 32721 H2 TIP3 6098 45.470 36.736 23.491 1.00 0.00 WT2 H ATOM 32722 OH2 TIP3 6100 70.570 39.734 -6.397 1.00 0.00 WT2 O ATOM 32723 H1 TIP3 6100 70.065 39.903 -7.193 1.00 0.00 WT2 H ATOM 32724 H2 TIP3 6100 70.226 40.357 -5.758 1.00 0.00 WT2 H ATOM 32725 OH2 TIP3 6102 46.147 43.687 37.904 1.00 0.00 WT2 O ATOM 32726 H1 TIP3 6102 46.062 44.391 38.547 1.00 0.00 WT2 H ATOM 32727 H2 TIP3 6102 45.268 43.314 37.839 1.00 0.00 WT2 H ATOM 32728 OH2 TIP3 6110 44.193 24.261 50.773 1.00 0.00 WT2 O ATOM 32729 H1 TIP3 6110 44.768 24.937 50.413 1.00 0.00 WT2 H ATOM 32730 H2 TIP3 6110 43.808 23.840 50.004 1.00 0.00 WT2 H ATOM 32731 OH2 TIP3 6112 78.244 11.889 -14.164 1.00 0.00 WT2 O ATOM 32732 H1 TIP3 6112 78.638 11.565 -14.974 1.00 0.00 WT2 H ATOM 32733 H2 TIP3 6112 78.981 11.998 -13.564 1.00 0.00 WT2 H ATOM 32734 OH2 TIP3 6113 87.808 28.209 8.558 1.00 0.00 WT2 O ATOM 32735 H1 TIP3 6113 88.593 28.056 9.085 1.00 0.00 WT2 H ATOM 32736 H2 TIP3 6113 88.054 27.930 7.676 1.00 0.00 WT2 H ATOM 32737 OH2 TIP3 6115 53.559 45.807 -18.564 1.00 0.00 WT2 O ATOM 32738 H1 TIP3 6115 53.595 46.716 -18.268 1.00 0.00 WT2 H ATOM 32739 H2 TIP3 6115 53.386 45.302 -17.770 1.00 0.00 WT2 H ATOM 32740 OH2 TIP3 6116 85.995 6.927 64.401 1.00 0.00 WT2 O ATOM 32741 H1 TIP3 6116 86.801 7.120 63.923 1.00 0.00 WT2 H ATOM 32742 H2 TIP3 6116 86.193 7.156 65.309 1.00 0.00 WT2 H ATOM 32743 OH2 TIP3 6117 60.455 37.893 -0.588 1.00 0.00 WT2 O ATOM 32744 H1 TIP3 6117 60.259 37.755 -1.515 1.00 0.00 WT2 H ATOM 32745 H2 TIP3 6117 59.673 37.586 -0.129 1.00 0.00 WT2 H ATOM 32746 OH2 TIP3 6120 60.263 62.530 40.138 1.00 0.00 WT2 O ATOM 32747 H1 TIP3 6120 59.328 62.639 40.313 1.00 0.00 WT2 H ATOM 32748 H2 TIP3 6120 60.306 62.265 39.219 1.00 0.00 WT2 H ATOM 32749 OH2 TIP3 6132 85.945 78.570 36.576 1.00 0.00 WT2 O ATOM 32750 H1 TIP3 6132 85.424 78.500 35.777 1.00 0.00 WT2 H ATOM 32751 H2 TIP3 6132 86.774 78.143 36.361 1.00 0.00 WT2 H ATOM 32752 OH2 TIP3 6133 54.032 57.053 -15.408 1.00 0.00 WT2 O ATOM 32753 H1 TIP3 6133 53.146 57.363 -15.597 1.00 0.00 WT2 H ATOM 32754 H2 TIP3 6133 54.562 57.383 -16.133 1.00 0.00 WT2 H ATOM 32755 OH2 TIP3 6134 77.993 95.534 53.439 1.00 0.00 WT2 O ATOM 32756 H1 TIP3 6134 78.285 96.369 53.804 1.00 0.00 WT2 H ATOM 32757 H2 TIP3 6134 77.230 95.758 52.906 1.00 0.00 WT2 H ATOM 32758 OH2 TIP3 6136 81.596 74.212 -12.169 1.00 0.00 WT2 O ATOM 32759 H1 TIP3 6136 82.403 74.311 -11.665 1.00 0.00 WT2 H ATOM 32760 H2 TIP3 6136 81.885 74.180 -13.081 1.00 0.00 WT2 H ATOM 32761 OH2 TIP3 6137 57.357 7.456 -19.951 1.00 0.00 WT2 O ATOM 32762 H1 TIP3 6137 57.596 6.825 -19.273 1.00 0.00 WT2 H ATOM 32763 H2 TIP3 6137 58.088 8.074 -19.974 1.00 0.00 WT2 H ATOM 32764 OH2 TIP3 6138 63.609 15.083 -4.614 1.00 0.00 WT2 O ATOM 32765 H1 TIP3 6138 62.789 14.614 -4.768 1.00 0.00 WT2 H ATOM 32766 H2 TIP3 6138 63.416 15.989 -4.856 1.00 0.00 WT2 H ATOM 32767 OH2 TIP3 6141 53.607 78.392 54.884 1.00 0.00 WT2 O ATOM 32768 H1 TIP3 6141 53.514 78.333 53.933 1.00 0.00 WT2 H ATOM 32769 H2 TIP3 6141 53.980 77.549 55.141 1.00 0.00 WT2 H ATOM 32770 OH2 TIP3 6155 41.067 86.253 -18.987 1.00 0.00 WT2 O ATOM 32771 H1 TIP3 6155 41.604 85.878 -19.685 1.00 0.00 WT2 H ATOM 32772 H2 TIP3 6155 40.339 86.675 -19.445 1.00 0.00 WT2 H ATOM 32773 OH2 TIP3 6158 40.238 36.217 50.517 1.00 0.00 WT2 O ATOM 32774 H1 TIP3 6158 41.019 35.885 50.958 1.00 0.00 WT2 H ATOM 32775 H2 TIP3 6158 39.968 35.504 49.938 1.00 0.00 WT2 H ATOM 32776 OH2 TIP3 6159 64.245 10.537 57.479 1.00 0.00 WT2 O ATOM 32777 H1 TIP3 6159 64.178 10.614 58.431 1.00 0.00 WT2 H ATOM 32778 H2 TIP3 6159 63.473 10.995 57.147 1.00 0.00 WT2 H ATOM 32779 OH2 TIP3 6160 34.939 5.348 39.636 1.00 0.00 WT2 O ATOM 32780 H1 TIP3 6160 35.048 5.096 38.719 1.00 0.00 WT2 H ATOM 32781 H2 TIP3 6160 35.539 6.084 39.757 1.00 0.00 WT2 H ATOM 32782 OH2 TIP3 6162 22.270 49.575 30.269 1.00 0.00 WT2 O ATOM 32783 H1 TIP3 6162 21.440 49.619 30.744 1.00 0.00 WT2 H ATOM 32784 H2 TIP3 6162 22.068 49.924 29.401 1.00 0.00 WT2 H ATOM 32785 OH2 TIP3 6176 86.996 53.480 41.675 1.00 0.00 WT2 O ATOM 32786 H1 TIP3 6176 87.490 53.230 42.456 1.00 0.00 WT2 H ATOM 32787 H2 TIP3 6176 87.531 54.155 41.258 1.00 0.00 WT2 H ATOM 32788 OH2 TIP3 6177 58.826 20.989 46.336 1.00 0.00 WT2 O ATOM 32789 H1 TIP3 6177 58.400 20.132 46.367 1.00 0.00 WT2 H ATOM 32790 H2 TIP3 6177 58.509 21.385 45.524 1.00 0.00 WT2 H ATOM 32791 OH2 TIP3 6178 68.174 33.764 36.260 1.00 0.00 WT2 O ATOM 32792 H1 TIP3 6178 67.476 33.898 35.619 1.00 0.00 WT2 H ATOM 32793 H2 TIP3 6178 68.668 34.584 36.251 1.00 0.00 WT2 H ATOM 32794 OH2 TIP3 6181 62.000 85.141 53.854 1.00 0.00 WT2 O ATOM 32795 H1 TIP3 6181 62.839 84.836 54.198 1.00 0.00 WT2 H ATOM 32796 H2 TIP3 6181 62.032 86.093 53.952 1.00 0.00 WT2 H ATOM 32797 OH2 TIP3 6182 36.001 88.620 26.332 1.00 0.00 WT2 O ATOM 32798 H1 TIP3 6182 36.399 88.695 27.199 1.00 0.00 WT2 H ATOM 32799 H2 TIP3 6182 35.956 87.677 26.170 1.00 0.00 WT2 H ATOM 32800 OH2 TIP3 6183 42.941 4.576 45.409 1.00 0.00 WT2 O ATOM 32801 H1 TIP3 6183 42.601 5.466 45.500 1.00 0.00 WT2 H ATOM 32802 H2 TIP3 6183 43.545 4.624 44.668 1.00 0.00 WT2 H ATOM 32803 OH2 TIP3 6190 85.613 58.052 -1.907 1.00 0.00 WT2 O ATOM 32804 H1 TIP3 6190 85.900 57.260 -1.452 1.00 0.00 WT2 H ATOM 32805 H2 TIP3 6190 84.672 58.098 -1.738 1.00 0.00 WT2 H ATOM 32806 OH2 TIP3 6195 35.360 57.161 46.815 1.00 0.00 WT2 O ATOM 32807 H1 TIP3 6195 35.378 56.247 47.099 1.00 0.00 WT2 H ATOM 32808 H2 TIP3 6195 36.281 57.394 46.698 1.00 0.00 WT2 H ATOM 32809 OH2 TIP3 6197 75.185 81.162 -12.483 1.00 0.00 WT2 O ATOM 32810 H1 TIP3 6197 75.337 80.951 -13.404 1.00 0.00 WT2 H ATOM 32811 H2 TIP3 6197 74.468 80.585 -12.219 1.00 0.00 WT2 H ATOM 32812 OH2 TIP3 6198 52.327 1.648 52.264 1.00 0.00 WT2 O ATOM 32813 H1 TIP3 6198 51.541 1.986 52.693 1.00 0.00 WT2 H ATOM 32814 H2 TIP3 6198 52.306 2.033 51.388 1.00 0.00 WT2 H ATOM 32815 OH2 TIP3 6200 85.045 76.037 -15.656 1.00 0.00 WT2 O ATOM 32816 H1 TIP3 6200 85.190 76.296 -14.747 1.00 0.00 WT2 H ATOM 32817 H2 TIP3 6200 85.686 75.343 -15.813 1.00 0.00 WT2 H ATOM 32818 OH2 TIP3 6201 33.748 57.901 49.107 1.00 0.00 WT2 O ATOM 32819 H1 TIP3 6201 34.616 57.498 49.132 1.00 0.00 WT2 H ATOM 32820 H2 TIP3 6201 33.751 58.427 48.308 1.00 0.00 WT2 H ATOM 32821 OH2 TIP3 6215 21.079 78.321 33.025 1.00 0.00 WT2 O ATOM 32822 H1 TIP3 6215 20.639 77.814 32.342 1.00 0.00 WT2 H ATOM 32823 H2 TIP3 6215 21.998 78.337 32.758 1.00 0.00 WT2 H ATOM 32824 OH2 TIP3 6216 62.962 83.229 9.167 1.00 0.00 WT2 O ATOM 32825 H1 TIP3 6216 62.811 83.585 10.042 1.00 0.00 WT2 H ATOM 32826 H2 TIP3 6216 62.085 83.063 8.821 1.00 0.00 WT2 H ATOM 32827 OH2 TIP3 6218 78.381 29.483 56.979 1.00 0.00 WT2 O ATOM 32828 H1 TIP3 6218 78.707 30.103 56.327 1.00 0.00 WT2 H ATOM 32829 H2 TIP3 6218 77.954 30.031 57.638 1.00 0.00 WT2 H ATOM 32830 OH2 TIP3 6219 79.594 17.333 52.688 1.00 0.00 WT2 O ATOM 32831 H1 TIP3 6219 79.263 16.491 52.377 1.00 0.00 WT2 H ATOM 32832 H2 TIP3 6219 78.811 17.876 52.788 1.00 0.00 WT2 H ATOM 32833 OH2 TIP3 6220 63.541 72.580 -10.860 1.00 0.00 WT2 O ATOM 32834 H1 TIP3 6220 63.497 71.631 -10.744 1.00 0.00 WT2 H ATOM 32835 H2 TIP3 6220 62.725 72.906 -10.480 1.00 0.00 WT2 H ATOM 32836 OH2 TIP3 6221 28.911 11.400 4.574 1.00 0.00 WT2 O ATOM 32837 H1 TIP3 6221 28.990 10.853 5.355 1.00 0.00 WT2 H ATOM 32838 H2 TIP3 6221 29.154 12.277 4.870 1.00 0.00 WT2 H ATOM 32839 OH2 TIP3 6225 41.346 6.985 64.018 1.00 0.00 WT2 O ATOM 32840 H1 TIP3 6225 41.719 6.103 64.002 1.00 0.00 WT2 H ATOM 32841 H2 TIP3 6225 42.034 7.543 63.656 1.00 0.00 WT2 H ATOM 32842 OH2 TIP3 6238 50.559 76.026 3.088 1.00 0.00 WT2 O ATOM 32843 H1 TIP3 6238 50.968 75.412 3.697 1.00 0.00 WT2 H ATOM 32844 H2 TIP3 6238 50.081 76.638 3.648 1.00 0.00 WT2 H ATOM 32845 OH2 TIP3 6240 51.085 87.075 -12.530 1.00 0.00 WT2 O ATOM 32846 H1 TIP3 6240 50.914 86.145 -12.384 1.00 0.00 WT2 H ATOM 32847 H2 TIP3 6240 50.280 87.513 -12.253 1.00 0.00 WT2 H ATOM 32848 OH2 TIP3 6241 34.146 84.481 62.524 1.00 0.00 WT2 O ATOM 32849 H1 TIP3 6241 33.501 84.211 63.178 1.00 0.00 WT2 H ATOM 32850 H2 TIP3 6241 34.226 85.428 62.644 1.00 0.00 WT2 H ATOM 32851 OH2 TIP3 6242 89.085 61.507 0.989 1.00 0.00 WT2 O ATOM 32852 H1 TIP3 6242 89.613 62.183 1.415 1.00 0.00 WT2 H ATOM 32853 H2 TIP3 6242 89.516 61.362 0.147 1.00 0.00 WT2 H ATOM 32854 OH2 TIP3 6243 29.095 14.876 57.025 1.00 0.00 WT2 O ATOM 32855 H1 TIP3 6243 29.212 15.599 57.641 1.00 0.00 WT2 H ATOM 32856 H2 TIP3 6243 29.383 15.229 56.183 1.00 0.00 WT2 H ATOM 32857 OH2 TIP3 6245 25.752 83.878 -8.848 1.00 0.00 WT2 O ATOM 32858 H1 TIP3 6245 25.330 84.720 -9.019 1.00 0.00 WT2 H ATOM 32859 H2 TIP3 6245 26.440 83.817 -9.511 1.00 0.00 WT2 H ATOM 32860 OH2 TIP3 6246 79.363 75.897 37.614 1.00 0.00 WT2 O ATOM 32861 H1 TIP3 6246 78.468 75.853 37.950 1.00 0.00 WT2 H ATOM 32862 H2 TIP3 6246 79.612 74.984 37.472 1.00 0.00 WT2 H ATOM 32863 OH2 TIP3 6256 26.286 56.929 -3.190 1.00 0.00 WT2 O ATOM 32864 H1 TIP3 6256 26.950 57.121 -2.527 1.00 0.00 WT2 H ATOM 32865 H2 TIP3 6256 26.621 56.159 -3.648 1.00 0.00 WT2 H ATOM 32866 OH2 TIP3 6258 48.540 61.045 -17.181 1.00 0.00 WT2 O ATOM 32867 H1 TIP3 6258 49.472 61.221 -17.314 1.00 0.00 WT2 H ATOM 32868 H2 TIP3 6258 48.115 61.893 -17.307 1.00 0.00 WT2 H ATOM 32869 OH2 TIP3 6259 66.384 95.469 49.292 1.00 0.00 WT2 O ATOM 32870 H1 TIP3 6259 65.455 95.250 49.225 1.00 0.00 WT2 H ATOM 32871 H2 TIP3 6259 66.556 95.498 50.234 1.00 0.00 WT2 H ATOM 32872 OH2 TIP3 6261 20.528 18.780 64.624 1.00 0.00 WT2 O ATOM 32873 H1 TIP3 6261 21.006 19.426 65.144 1.00 0.00 WT2 H ATOM 32874 H2 TIP3 6261 19.972 19.302 64.045 1.00 0.00 WT2 H ATOM 32875 OH2 TIP3 6263 36.879 43.545 54.085 1.00 0.00 WT2 O ATOM 32876 H1 TIP3 6263 37.023 44.123 53.336 1.00 0.00 WT2 H ATOM 32877 H2 TIP3 6263 36.234 42.909 53.776 1.00 0.00 WT2 H ATOM 32878 OH2 TIP3 6264 65.162 58.287 23.059 1.00 0.00 WT2 O ATOM 32879 H1 TIP3 6264 64.571 57.899 22.414 1.00 0.00 WT2 H ATOM 32880 H2 TIP3 6264 64.592 58.537 23.787 1.00 0.00 WT2 H ATOM 32881 OH2 TIP3 6269 37.310 40.387 49.845 1.00 0.00 WT2 O ATOM 32882 H1 TIP3 6269 36.927 39.562 49.545 1.00 0.00 WT2 H ATOM 32883 H2 TIP3 6269 37.564 40.840 49.041 1.00 0.00 WT2 H ATOM 32884 OH2 TIP3 6281 38.821 91.069 54.629 1.00 0.00 WT2 O ATOM 32885 H1 TIP3 6281 38.402 91.229 55.475 1.00 0.00 WT2 H ATOM 32886 H2 TIP3 6281 38.642 91.860 54.120 1.00 0.00 WT2 H ATOM 32887 OH2 TIP3 6283 60.493 66.937 51.864 1.00 0.00 WT2 O ATOM 32888 H1 TIP3 6283 59.589 66.784 52.139 1.00 0.00 WT2 H ATOM 32889 H2 TIP3 6283 60.508 66.688 50.939 1.00 0.00 WT2 H ATOM 32890 OH2 TIP3 6284 63.661 71.845 42.165 1.00 0.00 WT2 O ATOM 32891 H1 TIP3 6284 64.257 71.399 42.767 1.00 0.00 WT2 H ATOM 32892 H2 TIP3 6284 64.078 71.761 41.308 1.00 0.00 WT2 H ATOM 32893 OH2 TIP3 6285 60.976 39.830 64.659 1.00 0.00 WT2 O ATOM 32894 H1 TIP3 6285 60.731 40.253 63.836 1.00 0.00 WT2 H ATOM 32895 H2 TIP3 6285 60.155 39.761 65.147 1.00 0.00 WT2 H ATOM 32896 OH2 TIP3 6286 65.193 82.003 7.471 1.00 0.00 WT2 O ATOM 32897 H1 TIP3 6286 64.413 82.464 7.782 1.00 0.00 WT2 H ATOM 32898 H2 TIP3 6286 65.439 82.463 6.668 1.00 0.00 WT2 H ATOM 32899 OH2 TIP3 6288 42.006 46.395 -8.466 1.00 0.00 WT2 O ATOM 32900 H1 TIP3 6288 42.902 46.513 -8.149 1.00 0.00 WT2 H ATOM 32901 H2 TIP3 6288 41.556 47.202 -8.220 1.00 0.00 WT2 H ATOM 32902 OH2 TIP3 6297 89.680 34.363 52.899 1.00 0.00 WT2 O ATOM 32903 H1 TIP3 6297 90.467 33.830 52.786 1.00 0.00 WT2 H ATOM 32904 H2 TIP3 6297 89.965 35.256 52.708 1.00 0.00 WT2 H ATOM 32905 OH2 TIP3 6300 37.376 15.360 34.797 1.00 0.00 WT2 O ATOM 32906 H1 TIP3 6300 37.269 16.310 34.752 1.00 0.00 WT2 H ATOM 32907 H2 TIP3 6300 38.323 15.227 34.845 1.00 0.00 WT2 H ATOM 32908 OH2 TIP3 6302 83.538 59.051 31.526 1.00 0.00 WT2 O ATOM 32909 H1 TIP3 6302 82.777 58.587 31.177 1.00 0.00 WT2 H ATOM 32910 H2 TIP3 6302 83.167 59.782 32.022 1.00 0.00 WT2 H ATOM 32911 OH2 TIP3 6303 62.550 7.570 18.104 1.00 0.00 WT2 O ATOM 32912 H1 TIP3 6303 62.443 6.658 18.375 1.00 0.00 WT2 H ATOM 32913 H2 TIP3 6303 61.835 7.723 17.486 1.00 0.00 WT2 H ATOM 32914 OH2 TIP3 6305 28.598 15.437 27.055 1.00 0.00 WT2 O ATOM 32915 H1 TIP3 6305 29.126 16.189 27.324 1.00 0.00 WT2 H ATOM 32916 H2 TIP3 6305 28.632 15.450 26.098 1.00 0.00 WT2 H ATOM 32917 OH2 TIP3 6309 79.612 23.148 -13.709 1.00 0.00 WT2 O ATOM 32918 H1 TIP3 6309 80.449 22.942 -13.294 1.00 0.00 WT2 H ATOM 32919 H2 TIP3 6309 79.107 23.590 -13.027 1.00 0.00 WT2 H ATOM 32920 OH2 TIP3 6311 57.852 22.353 17.690 1.00 0.00 WT2 O ATOM 32921 H1 TIP3 6311 57.804 23.251 17.361 1.00 0.00 WT2 H ATOM 32922 H2 TIP3 6311 56.973 22.173 18.025 1.00 0.00 WT2 H ATOM 32923 OH2 TIP3 6319 72.269 68.266 63.269 1.00 0.00 WT2 O ATOM 32924 H1 TIP3 6319 71.782 68.279 64.093 1.00 0.00 WT2 H ATOM 32925 H2 TIP3 6319 71.621 68.014 62.611 1.00 0.00 WT2 H ATOM 32926 OH2 TIP3 6321 25.904 69.250 64.487 1.00 0.00 WT2 O ATOM 32927 H1 TIP3 6321 26.445 68.549 64.124 1.00 0.00 WT2 H ATOM 32928 H2 TIP3 6321 25.312 69.490 63.774 1.00 0.00 WT2 H ATOM 32929 OH2 TIP3 6322 80.701 65.349 -5.198 1.00 0.00 WT2 O ATOM 32930 H1 TIP3 6322 81.499 64.844 -5.353 1.00 0.00 WT2 H ATOM 32931 H2 TIP3 6322 80.321 65.470 -6.068 1.00 0.00 WT2 H ATOM 32932 OH2 TIP3 6323 53.149 94.973 55.369 1.00 0.00 WT2 O ATOM 32933 H1 TIP3 6323 53.180 94.442 54.573 1.00 0.00 WT2 H ATOM 32934 H2 TIP3 6323 52.284 94.797 55.741 1.00 0.00 WT2 H ATOM 32935 OH2 TIP3 6324 45.234 22.800 -18.658 1.00 0.00 WT2 O ATOM 32936 H1 TIP3 6324 44.751 23.550 -19.004 1.00 0.00 WT2 H ATOM 32937 H2 TIP3 6324 44.855 22.648 -17.792 1.00 0.00 WT2 H ATOM 32938 OH2 TIP3 6325 29.356 19.210 36.909 1.00 0.00 WT2 O ATOM 32939 H1 TIP3 6325 29.804 19.517 37.697 1.00 0.00 WT2 H ATOM 32940 H2 TIP3 6325 29.941 18.548 36.543 1.00 0.00 WT2 H ATOM 32941 OH2 TIP3 6326 20.619 62.807 35.859 1.00 0.00 WT2 O ATOM 32942 H1 TIP3 6326 20.981 63.091 35.020 1.00 0.00 WT2 H ATOM 32943 H2 TIP3 6326 19.726 62.529 35.654 1.00 0.00 WT2 H ATOM 32944 OH2 TIP3 6328 75.924 88.502 14.244 1.00 0.00 WT2 O ATOM 32945 H1 TIP3 6328 75.396 89.071 14.804 1.00 0.00 WT2 H ATOM 32946 H2 TIP3 6328 75.988 87.679 14.729 1.00 0.00 WT2 H ATOM 32947 OH2 TIP3 6329 59.350 18.845 -6.719 1.00 0.00 WT2 O ATOM 32948 H1 TIP3 6329 59.690 18.810 -5.825 1.00 0.00 WT2 H ATOM 32949 H2 TIP3 6329 59.529 19.740 -7.009 1.00 0.00 WT2 H ATOM 32950 OH2 TIP3 6341 37.628 62.920 59.673 1.00 0.00 WT2 O ATOM 32951 H1 TIP3 6341 37.890 63.764 60.040 1.00 0.00 WT2 H ATOM 32952 H2 TIP3 6341 38.441 62.418 59.620 1.00 0.00 WT2 H ATOM 32953 OH2 TIP3 6345 41.229 9.001 30.986 1.00 0.00 WT2 O ATOM 32954 H1 TIP3 6345 40.799 9.825 31.218 1.00 0.00 WT2 H ATOM 32955 H2 TIP3 6345 41.623 9.169 30.130 1.00 0.00 WT2 H ATOM 32956 OH2 TIP3 6347 51.842 28.235 43.167 1.00 0.00 WT2 O ATOM 32957 H1 TIP3 6347 51.492 27.983 42.313 1.00 0.00 WT2 H ATOM 32958 H2 TIP3 6347 52.264 27.441 43.497 1.00 0.00 WT2 H ATOM 32959 OH2 TIP3 6348 23.785 17.624 -14.146 1.00 0.00 WT2 O ATOM 32960 H1 TIP3 6348 23.552 17.816 -13.238 1.00 0.00 WT2 H ATOM 32961 H2 TIP3 6348 24.141 18.446 -14.482 1.00 0.00 WT2 H ATOM 32962 OH2 TIP3 6353 70.758 28.742 52.832 1.00 0.00 WT2 O ATOM 32963 H1 TIP3 6353 70.544 29.337 52.114 1.00 0.00 WT2 H ATOM 32964 H2 TIP3 6353 69.916 28.552 53.246 1.00 0.00 WT2 H ATOM 32965 OH2 TIP3 6357 68.551 91.481 -0.937 1.00 0.00 WT2 O ATOM 32966 H1 TIP3 6357 68.116 91.987 -1.624 1.00 0.00 WT2 H ATOM 32967 H2 TIP3 6357 67.998 91.599 -0.165 1.00 0.00 WT2 H ATOM 32968 OH2 TIP3 6364 32.771 87.191 -17.657 1.00 0.00 WT2 O ATOM 32969 H1 TIP3 6364 33.594 87.277 -18.138 1.00 0.00 WT2 H ATOM 32970 H2 TIP3 6364 32.633 88.051 -17.260 1.00 0.00 WT2 H ATOM 32971 OH2 TIP3 6366 55.760 84.748 52.206 1.00 0.00 WT2 O ATOM 32972 H1 TIP3 6366 55.624 84.135 51.483 1.00 0.00 WT2 H ATOM 32973 H2 TIP3 6366 55.021 84.593 52.794 1.00 0.00 WT2 H ATOM 32974 OH2 TIP3 6368 20.617 34.322 12.625 1.00 0.00 WT2 O ATOM 32975 H1 TIP3 6368 20.008 34.262 13.361 1.00 0.00 WT2 H ATOM 32976 H2 TIP3 6368 21.420 34.677 13.006 1.00 0.00 WT2 H ATOM 32977 OH2 TIP3 6369 76.798 70.404 -10.671 1.00 0.00 WT2 O ATOM 32978 H1 TIP3 6369 77.322 70.499 -9.876 1.00 0.00 WT2 H ATOM 32979 H2 TIP3 6369 77.185 71.023 -11.290 1.00 0.00 WT2 H ATOM 32980 OH2 TIP3 6381 74.934 88.406 35.953 1.00 0.00 WT2 O ATOM 32981 H1 TIP3 6381 74.490 88.966 36.590 1.00 0.00 WT2 H ATOM 32982 H2 TIP3 6381 74.462 88.554 35.133 1.00 0.00 WT2 H ATOM 32983 OH2 TIP3 6385 59.695 16.177 -10.441 1.00 0.00 WT2 O ATOM 32984 H1 TIP3 6385 59.627 16.080 -11.391 1.00 0.00 WT2 H ATOM 32985 H2 TIP3 6385 60.380 16.833 -10.315 1.00 0.00 WT2 H ATOM 32986 OH2 TIP3 6388 46.283 40.193 50.201 1.00 0.00 WT2 O ATOM 32987 H1 TIP3 6388 45.449 40.298 50.658 1.00 0.00 WT2 H ATOM 32988 H2 TIP3 6388 46.780 40.980 50.425 1.00 0.00 WT2 H ATOM 32989 OH2 TIP3 6389 47.030 51.296 48.365 1.00 0.00 WT2 O ATOM 32990 H1 TIP3 6389 46.162 51.633 48.585 1.00 0.00 WT2 H ATOM 32991 H2 TIP3 6389 47.586 52.073 48.322 1.00 0.00 WT2 H ATOM 32992 OH2 TIP3 6390 21.664 73.632 56.953 1.00 0.00 WT2 O ATOM 32993 H1 TIP3 6390 22.175 73.268 56.230 1.00 0.00 WT2 H ATOM 32994 H2 TIP3 6390 21.839 73.046 57.690 1.00 0.00 WT2 H ATOM 32995 OH2 TIP3 6403 54.755 82.534 -0.579 1.00 0.00 WT2 O ATOM 32996 H1 TIP3 6403 54.785 83.022 0.243 1.00 0.00 WT2 H ATOM 32997 H2 TIP3 6403 54.999 81.640 -0.337 1.00 0.00 WT2 H ATOM 32998 OH2 TIP3 6404 22.509 86.461 -5.961 1.00 0.00 WT2 O ATOM 32999 H1 TIP3 6404 22.132 86.854 -5.173 1.00 0.00 WT2 H ATOM 33000 H2 TIP3 6404 23.419 86.757 -5.966 1.00 0.00 WT2 H ATOM 33001 OH2 TIP3 6407 31.171 14.961 45.199 1.00 0.00 WT2 O ATOM 33002 H1 TIP3 6407 30.750 15.681 44.730 1.00 0.00 WT2 H ATOM 33003 H2 TIP3 6407 32.014 15.316 45.480 1.00 0.00 WT2 H ATOM 33004 OH2 TIP3 6408 34.026 58.639 52.009 1.00 0.00 WT2 O ATOM 33005 H1 TIP3 6408 34.646 59.282 51.664 1.00 0.00 WT2 H ATOM 33006 H2 TIP3 6408 33.642 58.234 51.231 1.00 0.00 WT2 H ATOM 33007 OH2 TIP3 6409 51.935 85.577 63.602 1.00 0.00 WT2 O ATOM 33008 H1 TIP3 6409 51.022 85.289 63.605 1.00 0.00 WT2 H ATOM 33009 H2 TIP3 6409 52.087 85.882 62.707 1.00 0.00 WT2 H ATOM 33010 OH2 TIP3 6410 49.620 11.284 40.490 1.00 0.00 WT2 O ATOM 33011 H1 TIP3 6410 50.214 10.618 40.836 1.00 0.00 WT2 H ATOM 33012 H2 TIP3 6410 50.183 12.035 40.305 1.00 0.00 WT2 H ATOM 33013 OH2 TIP3 6412 21.660 36.589 65.846 1.00 0.00 WT2 O ATOM 33014 H1 TIP3 6412 22.118 37.430 65.829 1.00 0.00 WT2 H ATOM 33015 H2 TIP3 6412 21.619 36.320 64.928 1.00 0.00 WT2 H ATOM 33016 OH2 TIP3 6413 43.214 24.008 -13.619 1.00 0.00 WT2 O ATOM 33017 H1 TIP3 6413 42.909 23.101 -13.587 1.00 0.00 WT2 H ATOM 33018 H2 TIP3 6413 43.563 24.112 -14.504 1.00 0.00 WT2 H ATOM 33019 OH2 TIP3 6417 50.382 17.827 -17.945 1.00 0.00 WT2 O ATOM 33020 H1 TIP3 6417 50.933 18.160 -18.653 1.00 0.00 WT2 H ATOM 33021 H2 TIP3 6417 50.976 17.309 -17.402 1.00 0.00 WT2 H ATOM 33022 OH2 TIP3 6425 46.026 2.564 30.972 1.00 0.00 WT2 O ATOM 33023 H1 TIP3 6425 46.901 2.908 31.148 1.00 0.00 WT2 H ATOM 33024 H2 TIP3 6425 45.719 3.062 30.215 1.00 0.00 WT2 H ATOM 33025 OH2 TIP3 6428 31.669 65.299 -1.383 1.00 0.00 WT2 O ATOM 33026 H1 TIP3 6428 30.962 65.050 -1.977 1.00 0.00 WT2 H ATOM 33027 H2 TIP3 6428 32.107 64.475 -1.170 1.00 0.00 WT2 H ATOM 33028 OH2 TIP3 6429 79.046 31.002 38.526 1.00 0.00 WT2 O ATOM 33029 H1 TIP3 6429 79.771 30.776 37.942 1.00 0.00 WT2 H ATOM 33030 H2 TIP3 6429 78.867 30.195 39.009 1.00 0.00 WT2 H ATOM 33031 OH2 TIP3 6430 57.300 32.704 44.574 1.00 0.00 WT2 O ATOM 33032 H1 TIP3 6430 56.937 33.586 44.494 1.00 0.00 WT2 H ATOM 33033 H2 TIP3 6430 57.522 32.454 43.677 1.00 0.00 WT2 H ATOM 33034 OH2 TIP3 6431 83.006 88.954 9.258 1.00 0.00 WT2 O ATOM 33035 H1 TIP3 6431 83.424 89.506 9.919 1.00 0.00 WT2 H ATOM 33036 H2 TIP3 6431 82.196 89.414 9.038 1.00 0.00 WT2 H ATOM 33037 OH2 TIP3 6433 26.137 88.691 15.055 1.00 0.00 WT2 O ATOM 33038 H1 TIP3 6433 26.292 88.982 14.156 1.00 0.00 WT2 H ATOM 33039 H2 TIP3 6433 27.006 88.671 15.454 1.00 0.00 WT2 H ATOM 33040 OH2 TIP3 6436 27.476 34.913 18.795 1.00 0.00 WT2 O ATOM 33041 H1 TIP3 6436 27.360 35.862 18.847 1.00 0.00 WT2 H ATOM 33042 H2 TIP3 6436 28.351 34.797 18.425 1.00 0.00 WT2 H ATOM 33043 OH2 TIP3 6444 62.034 19.811 35.311 1.00 0.00 WT2 O ATOM 33044 H1 TIP3 6444 61.696 18.959 35.037 1.00 0.00 WT2 H ATOM 33045 H2 TIP3 6444 62.919 19.628 35.627 1.00 0.00 WT2 H ATOM 33046 OH2 TIP3 6446 90.524 59.398 32.764 1.00 0.00 WT2 O ATOM 33047 H1 TIP3 6446 90.627 58.994 31.902 1.00 0.00 WT2 H ATOM 33048 H2 TIP3 6446 89.577 59.436 32.899 1.00 0.00 WT2 H ATOM 33049 OH2 TIP3 6450 69.546 64.155 54.174 1.00 0.00 WT2 O ATOM 33050 H1 TIP3 6450 68.915 64.537 53.565 1.00 0.00 WT2 H ATOM 33051 H2 TIP3 6450 69.453 63.210 54.056 1.00 0.00 WT2 H ATOM 33052 OH2 TIP3 6452 72.189 92.165 38.874 1.00 0.00 WT2 O ATOM 33053 H1 TIP3 6452 71.866 93.064 38.936 1.00 0.00 WT2 H ATOM 33054 H2 TIP3 6452 71.400 91.633 38.772 1.00 0.00 WT2 H ATOM 33055 OH2 TIP3 6454 76.915 88.741 43.833 1.00 0.00 WT2 O ATOM 33056 H1 TIP3 6454 76.977 89.649 43.539 1.00 0.00 WT2 H ATOM 33057 H2 TIP3 6454 76.320 88.326 43.209 1.00 0.00 WT2 H ATOM 33058 OH2 TIP3 6455 25.771 10.036 38.107 1.00 0.00 WT2 O ATOM 33059 H1 TIP3 6455 25.351 10.885 38.247 1.00 0.00 WT2 H ATOM 33060 H2 TIP3 6455 25.191 9.579 37.498 1.00 0.00 WT2 H ATOM 33061 OH2 TIP3 6469 21.900 60.670 12.363 1.00 0.00 WT2 O ATOM 33062 H1 TIP3 6469 22.398 61.207 11.747 1.00 0.00 WT2 H ATOM 33063 H2 TIP3 6469 22.265 60.888 13.221 1.00 0.00 WT2 H ATOM 33064 OH2 TIP3 6470 67.778 9.248 -15.979 1.00 0.00 WT2 O ATOM 33065 H1 TIP3 6470 68.658 8.906 -16.139 1.00 0.00 WT2 H ATOM 33066 H2 TIP3 6470 67.923 10.098 -15.562 1.00 0.00 WT2 H ATOM 33067 OH2 TIP3 6471 39.598 53.910 43.011 1.00 0.00 WT2 O ATOM 33068 H1 TIP3 6471 39.356 54.835 42.954 1.00 0.00 WT2 H ATOM 33069 H2 TIP3 6471 40.323 53.814 42.393 1.00 0.00 WT2 H ATOM 33070 OH2 TIP3 6472 49.215 41.289 48.605 1.00 0.00 WT2 O ATOM 33071 H1 TIP3 6472 49.529 41.524 47.732 1.00 0.00 WT2 H ATOM 33072 H2 TIP3 6472 49.888 41.622 49.199 1.00 0.00 WT2 H ATOM 33073 OH2 TIP3 6473 66.917 20.621 42.534 1.00 0.00 WT2 O ATOM 33074 H1 TIP3 6473 66.902 21.330 43.177 1.00 0.00 WT2 H ATOM 33075 H2 TIP3 6473 67.805 20.267 42.588 1.00 0.00 WT2 H ATOM 33076 OH2 TIP3 6474 41.690 84.925 65.548 1.00 0.00 WT2 O ATOM 33077 H1 TIP3 6474 41.346 85.136 64.680 1.00 0.00 WT2 H ATOM 33078 H2 TIP3 6474 41.213 84.138 65.810 1.00 0.00 WT2 H ATOM 33079 OH2 TIP3 6475 60.034 56.484 -2.830 1.00 0.00 WT2 O ATOM 33080 H1 TIP3 6475 60.169 57.429 -2.905 1.00 0.00 WT2 H ATOM 33081 H2 TIP3 6475 59.114 56.392 -2.585 1.00 0.00 WT2 H ATOM 33082 OH2 TIP3 6476 71.108 58.661 4.648 1.00 0.00 WT2 O ATOM 33083 H1 TIP3 6476 71.546 59.417 5.039 1.00 0.00 WT2 H ATOM 33084 H2 TIP3 6476 70.297 58.568 5.147 1.00 0.00 WT2 H ATOM 33085 OH2 TIP3 6490 82.569 76.373 61.256 1.00 0.00 WT2 O ATOM 33086 H1 TIP3 6490 83.120 77.153 61.313 1.00 0.00 WT2 H ATOM 33087 H2 TIP3 6490 83.074 75.689 61.696 1.00 0.00 WT2 H ATOM 33088 OH2 TIP3 6491 66.526 32.721 46.082 1.00 0.00 WT2 O ATOM 33089 H1 TIP3 6491 67.395 32.771 45.684 1.00 0.00 WT2 H ATOM 33090 H2 TIP3 6491 66.504 33.448 46.704 1.00 0.00 WT2 H ATOM 33091 OH2 TIP3 6492 82.136 39.573 22.524 1.00 0.00 WT2 O ATOM 33092 H1 TIP3 6492 81.541 38.924 22.150 1.00 0.00 WT2 H ATOM 33093 H2 TIP3 6492 82.979 39.122 22.580 1.00 0.00 WT2 H ATOM 33094 OH2 TIP3 6493 29.288 57.674 32.423 1.00 0.00 WT2 O ATOM 33095 H1 TIP3 6493 28.712 57.201 31.823 1.00 0.00 WT2 H ATOM 33096 H2 TIP3 6493 29.917 58.116 31.853 1.00 0.00 WT2 H ATOM 33097 OH2 TIP3 6497 58.462 36.014 5.302 1.00 0.00 WT2 O ATOM 33098 H1 TIP3 6497 58.634 35.105 5.546 1.00 0.00 WT2 H ATOM 33099 H2 TIP3 6497 57.733 36.280 5.862 1.00 0.00 WT2 H ATOM 33100 OH2 TIP3 6499 59.462 49.386 -8.980 1.00 0.00 WT2 O ATOM 33101 H1 TIP3 6499 58.851 49.808 -8.376 1.00 0.00 WT2 H ATOM 33102 H2 TIP3 6499 58.920 49.118 -9.721 1.00 0.00 WT2 H ATOM 33103 OH2 TIP3 6509 37.573 48.835 63.664 1.00 0.00 WT2 O ATOM 33104 H1 TIP3 6509 37.337 48.829 64.591 1.00 0.00 WT2 H ATOM 33105 H2 TIP3 6509 38.509 49.034 63.656 1.00 0.00 WT2 H ATOM 33106 OH2 TIP3 6512 26.753 56.898 -8.054 1.00 0.00 WT2 O ATOM 33107 H1 TIP3 6512 27.563 56.491 -8.362 1.00 0.00 WT2 H ATOM 33108 H2 TIP3 6512 27.001 57.343 -7.244 1.00 0.00 WT2 H ATOM 33109 OH2 TIP3 6513 68.854 52.676 53.355 1.00 0.00 WT2 O ATOM 33110 H1 TIP3 6513 68.283 53.333 52.958 1.00 0.00 WT2 H ATOM 33111 H2 TIP3 6513 69.350 52.313 52.622 1.00 0.00 WT2 H ATOM 33112 OH2 TIP3 6514 45.441 57.775 44.808 1.00 0.00 WT2 O ATOM 33113 H1 TIP3 6514 45.559 57.535 43.889 1.00 0.00 WT2 H ATOM 33114 H2 TIP3 6514 44.809 58.494 44.789 1.00 0.00 WT2 H ATOM 33115 OH2 TIP3 6515 41.066 36.858 66.995 1.00 0.00 WT2 O ATOM 33116 H1 TIP3 6515 41.461 35.988 66.940 1.00 0.00 WT2 H ATOM 33117 H2 TIP3 6515 40.776 37.048 66.103 1.00 0.00 WT2 H ATOM 33118 OH2 TIP3 6516 59.212 56.338 58.173 1.00 0.00 WT2 O ATOM 33119 H1 TIP3 6516 59.725 57.145 58.216 1.00 0.00 WT2 H ATOM 33120 H2 TIP3 6516 59.722 55.759 57.606 1.00 0.00 WT2 H ATOM 33121 OH2 TIP3 6519 24.687 65.174 32.493 1.00 0.00 WT2 O ATOM 33122 H1 TIP3 6519 25.407 65.624 32.052 1.00 0.00 WT2 H ATOM 33123 H2 TIP3 6519 24.040 65.023 31.803 1.00 0.00 WT2 H ATOM 33124 OH2 TIP3 6528 34.452 42.851 10.940 1.00 0.00 WT2 O ATOM 33125 H1 TIP3 6528 33.563 43.195 11.023 1.00 0.00 WT2 H ATOM 33126 H2 TIP3 6528 34.617 42.410 11.774 1.00 0.00 WT2 H ATOM 33127 OH2 TIP3 6534 33.453 80.811 -19.055 1.00 0.00 WT2 O ATOM 33128 H1 TIP3 6534 32.760 81.464 -19.154 1.00 0.00 WT2 H ATOM 33129 H2 TIP3 6534 33.517 80.670 -18.110 1.00 0.00 WT2 H ATOM 33130 OH2 TIP3 6535 52.131 26.749 -7.426 1.00 0.00 WT2 O ATOM 33131 H1 TIP3 6535 52.353 27.600 -7.048 1.00 0.00 WT2 H ATOM 33132 H2 TIP3 6535 52.492 26.779 -8.312 1.00 0.00 WT2 H ATOM 33133 OH2 TIP3 6536 65.583 14.211 49.423 1.00 0.00 WT2 O ATOM 33134 H1 TIP3 6536 64.784 13.716 49.244 1.00 0.00 WT2 H ATOM 33135 H2 TIP3 6536 65.885 14.498 48.561 1.00 0.00 WT2 H ATOM 33136 OH2 TIP3 6537 48.244 0.158 60.672 1.00 0.00 WT2 O ATOM 33137 H1 TIP3 6537 48.955 0.745 60.415 1.00 0.00 WT2 H ATOM 33138 H2 TIP3 6537 47.855 0.575 61.440 1.00 0.00 WT2 H ATOM 33139 OH2 TIP3 6538 74.583 62.931 13.855 1.00 0.00 WT2 O ATOM 33140 H1 TIP3 6538 74.917 63.291 14.676 1.00 0.00 WT2 H ATOM 33141 H2 TIP3 6538 74.571 61.985 13.995 1.00 0.00 WT2 H ATOM 33142 OH2 TIP3 6549 48.133 45.831 59.961 1.00 0.00 WT2 O ATOM 33143 H1 TIP3 6549 47.764 46.570 60.444 1.00 0.00 WT2 H ATOM 33144 H2 TIP3 6549 48.591 46.231 59.222 1.00 0.00 WT2 H ATOM 33145 OH2 TIP3 6551 23.146 29.801 -6.635 1.00 0.00 WT2 O ATOM 33146 H1 TIP3 6551 23.791 29.315 -6.122 1.00 0.00 WT2 H ATOM 33147 H2 TIP3 6551 23.142 30.677 -6.249 1.00 0.00 WT2 H ATOM 33148 OH2 TIP3 6552 24.865 81.388 -8.554 1.00 0.00 WT2 O ATOM 33149 H1 TIP3 6552 25.243 82.248 -8.735 1.00 0.00 WT2 H ATOM 33150 H2 TIP3 6552 24.634 81.417 -7.626 1.00 0.00 WT2 H ATOM 33151 OH2 TIP3 6555 79.664 93.915 44.969 1.00 0.00 WT2 O ATOM 33152 H1 TIP3 6555 78.866 93.815 44.450 1.00 0.00 WT2 H ATOM 33153 H2 TIP3 6555 79.773 94.861 45.063 1.00 0.00 WT2 H ATOM 33154 OH2 TIP3 6556 55.626 66.887 57.906 1.00 0.00 WT2 O ATOM 33155 H1 TIP3 6556 55.291 67.746 57.652 1.00 0.00 WT2 H ATOM 33156 H2 TIP3 6556 55.104 66.265 57.399 1.00 0.00 WT2 H ATOM 33157 OH2 TIP3 6559 25.578 45.122 20.101 1.00 0.00 WT2 O ATOM 33158 H1 TIP3 6559 26.232 45.409 20.738 1.00 0.00 WT2 H ATOM 33159 H2 TIP3 6559 25.342 45.918 19.624 1.00 0.00 WT2 H ATOM 33160 OH2 TIP3 6560 52.024 19.024 33.237 1.00 0.00 WT2 O ATOM 33161 H1 TIP3 6560 51.980 18.846 34.176 1.00 0.00 WT2 H ATOM 33162 H2 TIP3 6560 52.469 18.261 32.868 1.00 0.00 WT2 H ATOM 33163 OH2 TIP3 6575 74.181 90.062 -13.556 1.00 0.00 WT2 O ATOM 33164 H1 TIP3 6575 74.661 90.297 -12.762 1.00 0.00 WT2 H ATOM 33165 H2 TIP3 6575 74.745 89.426 -13.997 1.00 0.00 WT2 H ATOM 33166 OH2 TIP3 6576 23.007 90.989 -5.260 1.00 0.00 WT2 O ATOM 33167 H1 TIP3 6576 23.833 90.545 -5.069 1.00 0.00 WT2 H ATOM 33168 H2 TIP3 6576 22.540 90.997 -4.425 1.00 0.00 WT2 H ATOM 33169 OH2 TIP3 6577 89.316 43.680 23.816 1.00 0.00 WT2 O ATOM 33170 H1 TIP3 6577 88.550 44.155 23.494 1.00 0.00 WT2 H ATOM 33171 H2 TIP3 6577 90.062 44.143 23.435 1.00 0.00 WT2 H ATOM 33172 OH2 TIP3 6579 22.501 1.367 40.988 1.00 0.00 WT2 O ATOM 33173 H1 TIP3 6579 22.381 0.561 41.489 1.00 0.00 WT2 H ATOM 33174 H2 TIP3 6579 22.279 2.067 41.602 1.00 0.00 WT2 H ATOM 33175 OH2 TIP3 6580 36.038 77.657 48.257 1.00 0.00 WT2 O ATOM 33176 H1 TIP3 6580 35.773 76.742 48.353 1.00 0.00 WT2 H ATOM 33177 H2 TIP3 6580 36.815 77.742 48.810 1.00 0.00 WT2 H ATOM 33178 OH2 TIP3 6595 84.153 35.779 26.944 1.00 0.00 WT2 O ATOM 33179 H1 TIP3 6595 84.573 36.302 26.261 1.00 0.00 WT2 H ATOM 33180 H2 TIP3 6595 83.909 36.414 27.617 1.00 0.00 WT2 H ATOM 33181 OH2 TIP3 6597 62.353 84.007 50.384 1.00 0.00 WT2 O ATOM 33182 H1 TIP3 6597 61.715 83.294 50.420 1.00 0.00 WT2 H ATOM 33183 H2 TIP3 6597 62.714 84.051 51.269 1.00 0.00 WT2 H ATOM 33184 OH2 TIP3 6598 72.785 60.606 37.170 1.00 0.00 WT2 O ATOM 33185 H1 TIP3 6598 72.252 61.349 37.451 1.00 0.00 WT2 H ATOM 33186 H2 TIP3 6598 73.679 60.946 37.147 1.00 0.00 WT2 H ATOM 33187 OH2 TIP3 6599 89.003 90.409 64.968 1.00 0.00 WT2 O ATOM 33188 H1 TIP3 6599 88.550 91.165 65.341 1.00 0.00 WT2 H ATOM 33189 H2 TIP3 6599 89.793 90.316 65.500 1.00 0.00 WT2 H ATOM 33190 OH2 TIP3 6600 77.795 74.544 6.827 1.00 0.00 WT2 O ATOM 33191 H1 TIP3 6600 77.159 73.848 6.991 1.00 0.00 WT2 H ATOM 33192 H2 TIP3 6600 77.318 75.186 6.301 1.00 0.00 WT2 H ATOM 33193 OH2 TIP3 6602 72.088 18.821 -9.191 1.00 0.00 WT2 O ATOM 33194 H1 TIP3 6602 72.767 18.948 -9.854 1.00 0.00 WT2 H ATOM 33195 H2 TIP3 6602 71.600 18.054 -9.491 1.00 0.00 WT2 H ATOM 33196 OH2 TIP3 6603 64.588 31.823 54.319 1.00 0.00 WT2 O ATOM 33197 H1 TIP3 6603 64.048 31.158 54.746 1.00 0.00 WT2 H ATOM 33198 H2 TIP3 6603 64.080 32.089 53.552 1.00 0.00 WT2 H ATOM 33199 OH2 TIP3 6615 73.228 33.658 9.911 1.00 0.00 WT2 O ATOM 33200 H1 TIP3 6615 73.478 34.489 10.315 1.00 0.00 WT2 H ATOM 33201 H2 TIP3 6615 72.278 33.718 9.810 1.00 0.00 WT2 H ATOM 33202 OH2 TIP3 6616 64.034 91.585 -12.446 1.00 0.00 WT2 O ATOM 33203 H1 TIP3 6616 63.755 92.251 -13.074 1.00 0.00 WT2 H ATOM 33204 H2 TIP3 6616 63.359 90.908 -12.499 1.00 0.00 WT2 H ATOM 33205 OH2 TIP3 6618 44.480 88.899 33.699 1.00 0.00 WT2 O ATOM 33206 H1 TIP3 6618 45.180 88.283 33.484 1.00 0.00 WT2 H ATOM 33207 H2 TIP3 6618 43.750 88.345 33.975 1.00 0.00 WT2 H ATOM 33208 OH2 TIP3 6620 72.601 3.848 -13.173 1.00 0.00 WT2 O ATOM 33209 H1 TIP3 6620 72.060 4.631 -13.278 1.00 0.00 WT2 H ATOM 33210 H2 TIP3 6620 73.155 4.040 -12.416 1.00 0.00 WT2 H ATOM 33211 OH2 TIP3 6621 68.845 48.009 53.730 1.00 0.00 WT2 O ATOM 33212 H1 TIP3 6621 68.974 48.175 52.796 1.00 0.00 WT2 H ATOM 33213 H2 TIP3 6621 67.944 48.281 53.900 1.00 0.00 WT2 H ATOM 33214 OH2 TIP3 6623 40.858 26.628 28.395 1.00 0.00 WT2 O ATOM 33215 H1 TIP3 6623 40.728 27.329 27.758 1.00 0.00 WT2 H ATOM 33216 H2 TIP3 6623 40.273 26.850 29.120 1.00 0.00 WT2 H ATOM 33217 OH2 TIP3 6633 88.992 27.614 -18.604 1.00 0.00 WT2 O ATOM 33218 H1 TIP3 6633 89.133 27.851 -17.688 1.00 0.00 WT2 H ATOM 33219 H2 TIP3 6633 88.377 26.881 -18.570 1.00 0.00 WT2 H ATOM 33220 OH2 TIP3 6637 21.581 87.083 28.167 1.00 0.00 WT2 O ATOM 33221 H1 TIP3 6637 21.438 87.691 28.892 1.00 0.00 WT2 H ATOM 33222 H2 TIP3 6637 22.360 87.418 27.723 1.00 0.00 WT2 H ATOM 33223 OH2 TIP3 6638 49.819 28.227 54.730 1.00 0.00 WT2 O ATOM 33224 H1 TIP3 6638 50.595 28.659 54.373 1.00 0.00 WT2 H ATOM 33225 H2 TIP3 6638 49.547 27.617 54.044 1.00 0.00 WT2 H ATOM 33226 OH2 TIP3 6639 75.589 1.801 46.536 1.00 0.00 WT2 O ATOM 33227 H1 TIP3 6639 76.387 1.568 46.061 1.00 0.00 WT2 H ATOM 33228 H2 TIP3 6639 75.662 1.337 47.370 1.00 0.00 WT2 H ATOM 33229 OH2 TIP3 6640 21.946 9.464 -5.733 1.00 0.00 WT2 O ATOM 33230 H1 TIP3 6640 22.629 9.947 -5.269 1.00 0.00 WT2 H ATOM 33231 H2 TIP3 6640 21.704 10.033 -6.464 1.00 0.00 WT2 H ATOM 33232 OH2 TIP3 6641 37.176 25.807 28.000 1.00 0.00 WT2 O ATOM 33233 H1 TIP3 6641 38.037 25.418 27.844 1.00 0.00 WT2 H ATOM 33234 H2 TIP3 6641 36.885 26.098 27.136 1.00 0.00 WT2 H ATOM 33235 OH2 TIP3 6642 45.240 94.198 19.294 1.00 0.00 WT2 O ATOM 33236 H1 TIP3 6642 44.540 93.969 18.682 1.00 0.00 WT2 H ATOM 33237 H2 TIP3 6642 45.208 93.513 19.962 1.00 0.00 WT2 H ATOM 33238 OH2 TIP3 6645 64.653 34.096 15.555 1.00 0.00 WT2 O ATOM 33239 H1 TIP3 6645 63.782 33.817 15.275 1.00 0.00 WT2 H ATOM 33240 H2 TIP3 6645 64.905 34.768 14.921 1.00 0.00 WT2 H ATOM 33241 OH2 TIP3 6656 71.157 53.739 62.848 1.00 0.00 WT2 O ATOM 33242 H1 TIP3 6656 71.265 52.788 62.840 1.00 0.00 WT2 H ATOM 33243 H2 TIP3 6656 71.722 54.039 63.560 1.00 0.00 WT2 H ATOM 33244 OH2 TIP3 6659 78.997 41.439 53.019 1.00 0.00 WT2 O ATOM 33245 H1 TIP3 6659 78.319 42.026 52.684 1.00 0.00 WT2 H ATOM 33246 H2 TIP3 6659 78.551 40.600 53.136 1.00 0.00 WT2 H ATOM 33247 OH2 TIP3 6660 45.353 23.626 53.530 1.00 0.00 WT2 O ATOM 33248 H1 TIP3 6660 44.445 23.486 53.262 1.00 0.00 WT2 H ATOM 33249 H2 TIP3 6660 45.872 23.168 52.868 1.00 0.00 WT2 H ATOM 33250 OH2 TIP3 6661 59.972 36.464 41.502 1.00 0.00 WT2 O ATOM 33251 H1 TIP3 6661 60.584 36.729 40.815 1.00 0.00 WT2 H ATOM 33252 H2 TIP3 6661 59.403 37.224 41.622 1.00 0.00 WT2 H ATOM 33253 OH2 TIP3 6662 38.872 3.785 -5.160 1.00 0.00 WT2 O ATOM 33254 H1 TIP3 6662 38.602 4.684 -5.348 1.00 0.00 WT2 H ATOM 33255 H2 TIP3 6662 38.117 3.394 -4.720 1.00 0.00 WT2 H ATOM 33256 OH2 TIP3 6664 42.638 15.651 29.538 1.00 0.00 WT2 O ATOM 33257 H1 TIP3 6664 42.172 14.950 29.994 1.00 0.00 WT2 H ATOM 33258 H2 TIP3 6664 43.518 15.302 29.398 1.00 0.00 WT2 H ATOM 33259 OH2 TIP3 6671 23.738 78.794 -2.699 1.00 0.00 WT2 O ATOM 33260 H1 TIP3 6671 23.097 78.708 -3.404 1.00 0.00 WT2 H ATOM 33261 H2 TIP3 6671 24.505 78.314 -3.012 1.00 0.00 WT2 H ATOM 33262 OH2 TIP3 6679 28.715 28.602 24.350 1.00 0.00 WT2 O ATOM 33263 H1 TIP3 6679 27.993 29.170 24.083 1.00 0.00 WT2 H ATOM 33264 H2 TIP3 6679 28.313 27.963 24.938 1.00 0.00 WT2 H ATOM 33265 OH2 TIP3 6681 65.548 84.396 -14.540 1.00 0.00 WT2 O ATOM 33266 H1 TIP3 6681 66.043 84.187 -15.333 1.00 0.00 WT2 H ATOM 33267 H2 TIP3 6681 66.217 84.603 -13.887 1.00 0.00 WT2 H ATOM 33268 OH2 TIP3 6684 21.787 1.780 13.276 1.00 0.00 WT2 O ATOM 33269 H1 TIP3 6684 22.655 1.395 13.395 1.00 0.00 WT2 H ATOM 33270 H2 TIP3 6684 21.194 1.179 13.728 1.00 0.00 WT2 H ATOM 33271 OH2 TIP3 6686 57.290 11.346 64.008 1.00 0.00 WT2 O ATOM 33272 H1 TIP3 6686 56.689 10.715 64.404 1.00 0.00 WT2 H ATOM 33273 H2 TIP3 6686 56.972 11.451 63.111 1.00 0.00 WT2 H ATOM 33274 OH2 TIP3 6698 66.585 62.141 63.566 1.00 0.00 WT2 O ATOM 33275 H1 TIP3 6698 65.860 62.011 62.955 1.00 0.00 WT2 H ATOM 33276 H2 TIP3 6698 66.283 61.746 64.384 1.00 0.00 WT2 H ATOM 33277 OH2 TIP3 6700 47.077 57.071 58.321 1.00 0.00 WT2 O ATOM 33278 H1 TIP3 6700 47.432 56.619 57.556 1.00 0.00 WT2 H ATOM 33279 H2 TIP3 6700 46.238 56.642 58.487 1.00 0.00 WT2 H ATOM 33280 OH2 TIP3 6701 69.449 23.225 38.924 1.00 0.00 WT2 O ATOM 33281 H1 TIP3 6701 69.284 22.533 39.565 1.00 0.00 WT2 H ATOM 33282 H2 TIP3 6701 70.165 22.888 38.386 1.00 0.00 WT2 H ATOM 33283 OH2 TIP3 6703 27.199 54.232 -3.960 1.00 0.00 WT2 O ATOM 33284 H1 TIP3 6703 27.571 53.832 -3.173 1.00 0.00 WT2 H ATOM 33285 H2 TIP3 6703 26.473 53.657 -4.200 1.00 0.00 WT2 H ATOM 33286 OH2 TIP3 6704 25.627 11.191 0.326 1.00 0.00 WT2 O ATOM 33287 H1 TIP3 6704 26.182 10.991 1.079 1.00 0.00 WT2 H ATOM 33288 H2 TIP3 6704 24.821 11.539 0.708 1.00 0.00 WT2 H ATOM 33289 OH2 TIP3 6705 88.240 79.668 22.391 1.00 0.00 WT2 O ATOM 33290 H1 TIP3 6705 87.824 79.308 23.174 1.00 0.00 WT2 H ATOM 33291 H2 TIP3 6705 88.359 78.914 21.813 1.00 0.00 WT2 H ATOM 33292 OH2 TIP3 6706 32.333 36.483 39.070 1.00 0.00 WT2 O ATOM 33293 H1 TIP3 6706 33.089 36.793 38.571 1.00 0.00 WT2 H ATOM 33294 H2 TIP3 6706 31.667 37.159 38.941 1.00 0.00 WT2 H ATOM 33295 OH2 TIP3 6721 21.156 15.125 56.945 1.00 0.00 WT2 O ATOM 33296 H1 TIP3 6721 21.012 16.069 56.883 1.00 0.00 WT2 H ATOM 33297 H2 TIP3 6721 21.129 14.939 57.884 1.00 0.00 WT2 H ATOM 33298 OH2 TIP3 6722 87.427 74.948 23.955 1.00 0.00 WT2 O ATOM 33299 H1 TIP3 6722 86.931 75.767 23.967 1.00 0.00 WT2 H ATOM 33300 H2 TIP3 6722 86.775 74.276 23.752 1.00 0.00 WT2 H ATOM 33301 OH2 TIP3 6726 60.040 21.278 -8.257 1.00 0.00 WT2 O ATOM 33302 H1 TIP3 6726 60.850 21.726 -8.013 1.00 0.00 WT2 H ATOM 33303 H2 TIP3 6726 59.423 21.984 -8.446 1.00 0.00 WT2 H ATOM 33304 OH2 TIP3 6727 31.673 69.775 -0.571 1.00 0.00 WT2 O ATOM 33305 H1 TIP3 6727 32.271 70.522 -0.590 1.00 0.00 WT2 H ATOM 33306 H2 TIP3 6727 30.944 70.065 -0.024 1.00 0.00 WT2 H ATOM 33307 OH2 TIP3 6730 34.714 13.202 2.220 1.00 0.00 WT2 O ATOM 33308 H1 TIP3 6730 34.036 12.533 2.132 1.00 0.00 WT2 H ATOM 33309 H2 TIP3 6730 34.356 13.967 1.769 1.00 0.00 WT2 H ATOM 33310 OH2 TIP3 6731 34.979 14.082 19.689 1.00 0.00 WT2 O ATOM 33311 H1 TIP3 6731 34.219 14.297 20.229 1.00 0.00 WT2 H ATOM 33312 H2 TIP3 6731 35.277 14.926 19.348 1.00 0.00 WT2 H ATOM 33313 OH2 TIP3 6740 69.649 39.234 8.065 1.00 0.00 WT2 O ATOM 33314 H1 TIP3 6740 68.715 39.029 8.059 1.00 0.00 WT2 H ATOM 33315 H2 TIP3 6740 69.689 40.166 8.278 1.00 0.00 WT2 H ATOM 33316 OH2 TIP3 6742 52.230 23.262 52.296 1.00 0.00 WT2 O ATOM 33317 H1 TIP3 6742 52.122 22.623 53.000 1.00 0.00 WT2 H ATOM 33318 H2 TIP3 6742 52.568 22.754 51.559 1.00 0.00 WT2 H ATOM 33319 OH2 TIP3 6743 85.188 40.654 28.692 1.00 0.00 WT2 O ATOM 33320 H1 TIP3 6743 84.920 40.219 29.501 1.00 0.00 WT2 H ATOM 33321 H2 TIP3 6743 84.495 41.292 28.521 1.00 0.00 WT2 H ATOM 33322 OH2 TIP3 6745 83.467 42.998 45.097 1.00 0.00 WT2 O ATOM 33323 H1 TIP3 6745 83.402 42.142 44.673 1.00 0.00 WT2 H ATOM 33324 H2 TIP3 6745 82.830 43.544 44.635 1.00 0.00 WT2 H ATOM 33325 OH2 TIP3 6748 76.446 58.515 59.757 1.00 0.00 WT2 O ATOM 33326 H1 TIP3 6748 76.383 57.985 58.962 1.00 0.00 WT2 H ATOM 33327 H2 TIP3 6748 75.638 59.029 59.766 1.00 0.00 WT2 H ATOM 33328 OH2 TIP3 6750 73.327 35.177 59.331 1.00 0.00 WT2 O ATOM 33329 H1 TIP3 6750 73.204 34.229 59.373 1.00 0.00 WT2 H ATOM 33330 H2 TIP3 6750 72.848 35.447 58.547 1.00 0.00 WT2 H ATOM 33331 OH2 TIP3 6762 53.663 89.223 44.928 1.00 0.00 WT2 O ATOM 33332 H1 TIP3 6762 54.517 89.524 45.238 1.00 0.00 WT2 H ATOM 33333 H2 TIP3 6762 53.075 89.960 45.090 1.00 0.00 WT2 H ATOM 33334 OH2 TIP3 6763 33.539 17.523 55.002 1.00 0.00 WT2 O ATOM 33335 H1 TIP3 6763 34.401 17.406 54.601 1.00 0.00 WT2 H ATOM 33336 H2 TIP3 6763 33.308 16.655 55.332 1.00 0.00 WT2 H ATOM 33337 OH2 TIP3 6765 66.058 83.883 12.384 1.00 0.00 WT2 O ATOM 33338 H1 TIP3 6765 65.983 82.939 12.524 1.00 0.00 WT2 H ATOM 33339 H2 TIP3 6765 66.125 83.981 11.434 1.00 0.00 WT2 H ATOM 33340 OH2 TIP3 6767 74.349 23.262 53.685 1.00 0.00 WT2 O ATOM 33341 H1 TIP3 6767 74.143 23.997 53.108 1.00 0.00 WT2 H ATOM 33342 H2 TIP3 6767 73.654 22.625 53.521 1.00 0.00 WT2 H ATOM 33343 OH2 TIP3 6768 27.706 53.362 -19.206 1.00 0.00 WT2 O ATOM 33344 H1 TIP3 6768 28.361 53.782 -18.649 1.00 0.00 WT2 H ATOM 33345 H2 TIP3 6768 26.908 53.358 -18.677 1.00 0.00 WT2 H ATOM 33346 OH2 TIP3 6769 24.661 81.122 -5.323 1.00 0.00 WT2 O ATOM 33347 H1 TIP3 6769 25.055 81.982 -5.474 1.00 0.00 WT2 H ATOM 33348 H2 TIP3 6769 23.825 81.313 -4.897 1.00 0.00 WT2 H ATOM 33349 OH2 TIP3 6770 88.463 30.988 54.653 1.00 0.00 WT2 O ATOM 33350 H1 TIP3 6770 87.720 31.374 55.118 1.00 0.00 WT2 H ATOM 33351 H2 TIP3 6770 88.260 31.118 53.727 1.00 0.00 WT2 H ATOM 33352 OH2 TIP3 6771 38.495 50.615 41.232 1.00 0.00 WT2 O ATOM 33353 H1 TIP3 6771 38.073 51.214 41.848 1.00 0.00 WT2 H ATOM 33354 H2 TIP3 6771 39.431 50.787 41.333 1.00 0.00 WT2 H ATOM 33355 OH2 TIP3 6786 29.723 6.206 22.111 1.00 0.00 WT2 O ATOM 33356 H1 TIP3 6786 29.861 7.120 21.861 1.00 0.00 WT2 H ATOM 33357 H2 TIP3 6786 29.353 5.796 21.329 1.00 0.00 WT2 H ATOM 33358 OH2 TIP3 6788 25.895 86.863 62.375 1.00 0.00 WT2 O ATOM 33359 H1 TIP3 6788 25.923 86.407 63.217 1.00 0.00 WT2 H ATOM 33360 H2 TIP3 6788 26.344 87.692 62.537 1.00 0.00 WT2 H ATOM 33361 OH2 TIP3 6790 73.545 63.554 -4.292 1.00 0.00 WT2 O ATOM 33362 H1 TIP3 6790 73.457 62.696 -3.877 1.00 0.00 WT2 H ATOM 33363 H2 TIP3 6790 73.305 64.177 -3.607 1.00 0.00 WT2 H ATOM 33364 OH2 TIP3 6791 44.300 91.582 10.973 1.00 0.00 WT2 O ATOM 33365 H1 TIP3 6791 44.394 91.560 10.020 1.00 0.00 WT2 H ATOM 33366 H2 TIP3 6791 43.498 91.088 11.145 1.00 0.00 WT2 H ATOM 33367 OH2 TIP3 6792 83.046 66.126 22.222 1.00 0.00 WT2 O ATOM 33368 H1 TIP3 6792 83.835 65.646 21.971 1.00 0.00 WT2 H ATOM 33369 H2 TIP3 6792 82.589 66.285 21.396 1.00 0.00 WT2 H ATOM 33370 OH2 TIP3 6803 58.631 37.083 49.055 1.00 0.00 WT2 O ATOM 33371 H1 TIP3 6803 58.843 37.325 48.154 1.00 0.00 WT2 H ATOM 33372 H2 TIP3 6803 58.512 37.918 49.507 1.00 0.00 WT2 H ATOM 33373 OH2 TIP3 6807 89.171 51.740 -6.111 1.00 0.00 WT2 O ATOM 33374 H1 TIP3 6807 88.642 52.026 -6.856 1.00 0.00 WT2 H ATOM 33375 H2 TIP3 6807 90.074 51.798 -6.421 1.00 0.00 WT2 H ATOM 33376 OH2 TIP3 6810 87.081 22.623 12.523 1.00 0.00 WT2 O ATOM 33377 H1 TIP3 6810 86.360 22.070 12.223 1.00 0.00 WT2 H ATOM 33378 H2 TIP3 6810 87.660 22.027 12.997 1.00 0.00 WT2 H ATOM 33379 OH2 TIP3 6811 61.238 90.004 -16.927 1.00 0.00 WT2 O ATOM 33380 H1 TIP3 6811 61.780 90.733 -16.625 1.00 0.00 WT2 H ATOM 33381 H2 TIP3 6811 61.798 89.526 -17.539 1.00 0.00 WT2 H ATOM 33382 OH2 TIP3 6813 26.520 28.145 58.109 1.00 0.00 WT2 O ATOM 33383 H1 TIP3 6813 26.175 27.428 58.641 1.00 0.00 WT2 H ATOM 33384 H2 TIP3 6813 27.112 27.721 57.488 1.00 0.00 WT2 H ATOM 33385 OH2 TIP3 6815 21.484 39.773 4.653 1.00 0.00 WT2 O ATOM 33386 H1 TIP3 6815 21.562 39.651 3.707 1.00 0.00 WT2 H ATOM 33387 H2 TIP3 6815 22.374 39.975 4.943 1.00 0.00 WT2 H ATOM 33388 OH2 TIP3 6825 33.001 40.980 49.831 1.00 0.00 WT2 O ATOM 33389 H1 TIP3 6825 32.318 41.573 50.146 1.00 0.00 WT2 H ATOM 33390 H2 TIP3 6825 32.878 40.954 48.882 1.00 0.00 WT2 H ATOM 33391 OH2 TIP3 6826 44.597 83.810 57.141 1.00 0.00 WT2 O ATOM 33392 H1 TIP3 6826 45.400 84.243 57.430 1.00 0.00 WT2 H ATOM 33393 H2 TIP3 6826 44.675 82.915 57.472 1.00 0.00 WT2 H ATOM 33394 OH2 TIP3 6827 22.518 1.917 47.585 1.00 0.00 WT2 O ATOM 33395 H1 TIP3 6827 21.654 2.013 47.185 1.00 0.00 WT2 H ATOM 33396 H2 TIP3 6827 22.344 1.530 48.443 1.00 0.00 WT2 H ATOM 33397 OH2 TIP3 6828 61.819 68.200 29.300 1.00 0.00 WT2 O ATOM 33398 H1 TIP3 6828 61.554 67.370 28.903 1.00 0.00 WT2 H ATOM 33399 H2 TIP3 6828 61.021 68.728 29.308 1.00 0.00 WT2 H ATOM 33400 OH2 TIP3 6831 59.965 25.589 51.880 1.00 0.00 WT2 O ATOM 33401 H1 TIP3 6831 60.013 26.514 51.639 1.00 0.00 WT2 H ATOM 33402 H2 TIP3 6831 59.261 25.236 51.335 1.00 0.00 WT2 H ATOM 33403 OH2 TIP3 6834 57.565 67.730 -4.056 1.00 0.00 WT2 O ATOM 33404 H1 TIP3 6834 56.832 67.399 -3.536 1.00 0.00 WT2 H ATOM 33405 H2 TIP3 6834 58.280 67.118 -3.880 1.00 0.00 WT2 H ATOM 33406 OH2 TIP3 6836 25.230 43.179 -7.605 1.00 0.00 WT2 O ATOM 33407 H1 TIP3 6836 24.703 43.968 -7.483 1.00 0.00 WT2 H ATOM 33408 H2 TIP3 6836 25.901 43.231 -6.923 1.00 0.00 WT2 H ATOM 33409 OH2 TIP3 6846 55.350 63.052 26.692 1.00 0.00 WT2 O ATOM 33410 H1 TIP3 6846 55.928 63.425 26.027 1.00 0.00 WT2 H ATOM 33411 H2 TIP3 6846 55.560 62.118 26.697 1.00 0.00 WT2 H ATOM 33412 OH2 TIP3 6848 35.503 59.729 58.604 1.00 0.00 WT2 O ATOM 33413 H1 TIP3 6848 36.174 60.403 58.492 1.00 0.00 WT2 H ATOM 33414 H2 TIP3 6848 34.707 60.121 58.245 1.00 0.00 WT2 H ATOM 33415 OH2 TIP3 6849 21.166 45.892 31.344 1.00 0.00 WT2 O ATOM 33416 H1 TIP3 6849 20.275 45.772 31.671 1.00 0.00 WT2 H ATOM 33417 H2 TIP3 6849 21.060 46.387 30.532 1.00 0.00 WT2 H ATOM 33418 OH2 TIP3 6850 69.371 69.635 58.944 1.00 0.00 WT2 O ATOM 33419 H1 TIP3 6850 69.425 69.806 58.004 1.00 0.00 WT2 H ATOM 33420 H2 TIP3 6850 68.571 70.080 59.224 1.00 0.00 WT2 H ATOM 33421 OH2 TIP3 6851 48.272 52.459 -3.256 1.00 0.00 WT2 O ATOM 33422 H1 TIP3 6851 48.621 52.076 -2.451 1.00 0.00 WT2 H ATOM 33423 H2 TIP3 6851 47.625 53.098 -2.957 1.00 0.00 WT2 H ATOM 33424 OH2 TIP3 6852 71.853 60.179 -6.994 1.00 0.00 WT2 O ATOM 33425 H1 TIP3 6852 71.831 61.136 -6.979 1.00 0.00 WT2 H ATOM 33426 H2 TIP3 6852 71.398 59.916 -6.194 1.00 0.00 WT2 H ATOM 33427 OH2 TIP3 6853 40.286 29.293 -10.618 1.00 0.00 WT2 O ATOM 33428 H1 TIP3 6853 40.611 30.166 -10.394 1.00 0.00 WT2 H ATOM 33429 H2 TIP3 6853 40.676 29.104 -11.471 1.00 0.00 WT2 H ATOM 33430 OH2 TIP3 6854 46.674 5.327 20.535 1.00 0.00 WT2 O ATOM 33431 H1 TIP3 6854 45.830 4.905 20.697 1.00 0.00 WT2 H ATOM 33432 H2 TIP3 6854 46.989 4.930 19.723 1.00 0.00 WT2 H ATOM 33433 OH2 TIP3 6855 66.282 15.364 -0.337 1.00 0.00 WT2 O ATOM 33434 H1 TIP3 6855 66.651 16.210 -0.084 1.00 0.00 WT2 H ATOM 33435 H2 TIP3 6855 66.765 14.725 0.187 1.00 0.00 WT2 H ATOM 33436 OH2 TIP3 6866 36.521 66.749 50.124 1.00 0.00 WT2 O ATOM 33437 H1 TIP3 6866 35.933 67.136 49.476 1.00 0.00 WT2 H ATOM 33438 H2 TIP3 6866 36.971 66.049 49.652 1.00 0.00 WT2 H ATOM 33439 OH2 TIP3 6867 85.486 24.403 53.356 1.00 0.00 WT2 O ATOM 33440 H1 TIP3 6867 85.186 23.494 53.334 1.00 0.00 WT2 H ATOM 33441 H2 TIP3 6867 86.130 24.461 52.650 1.00 0.00 WT2 H ATOM 33442 OH2 TIP3 6869 56.606 70.197 -8.247 1.00 0.00 WT2 O ATOM 33443 H1 TIP3 6869 57.535 70.294 -8.458 1.00 0.00 WT2 H ATOM 33444 H2 TIP3 6869 56.576 70.198 -7.291 1.00 0.00 WT2 H ATOM 33445 OH2 TIP3 6870 36.018 30.613 42.879 1.00 0.00 WT2 O ATOM 33446 H1 TIP3 6870 36.785 30.537 42.312 1.00 0.00 WT2 H ATOM 33447 H2 TIP3 6870 36.230 31.333 43.474 1.00 0.00 WT2 H ATOM 33448 OH2 TIP3 6872 65.084 49.268 43.531 1.00 0.00 WT2 O ATOM 33449 H1 TIP3 6872 64.306 49.711 43.191 1.00 0.00 WT2 H ATOM 33450 H2 TIP3 6872 65.696 49.976 43.730 1.00 0.00 WT2 H ATOM 33451 OH2 TIP3 6874 30.865 23.137 26.744 1.00 0.00 WT2 O ATOM 33452 H1 TIP3 6874 30.083 23.065 27.291 1.00 0.00 WT2 H ATOM 33453 H2 TIP3 6874 31.466 22.481 27.098 1.00 0.00 WT2 H ATOM 33454 OH2 TIP3 6886 26.982 46.348 37.645 1.00 0.00 WT2 O ATOM 33455 H1 TIP3 6886 26.243 45.740 37.608 1.00 0.00 WT2 H ATOM 33456 H2 TIP3 6886 27.756 45.790 37.561 1.00 0.00 WT2 H ATOM 33457 OH2 TIP3 6887 74.035 28.088 11.768 1.00 0.00 WT2 O ATOM 33458 H1 TIP3 6887 73.352 28.536 12.267 1.00 0.00 WT2 H ATOM 33459 H2 TIP3 6887 73.682 27.212 11.612 1.00 0.00 WT2 H ATOM 33460 OH2 TIP3 6889 47.925 65.039 -13.068 1.00 0.00 WT2 O ATOM 33461 H1 TIP3 6889 47.241 64.509 -13.478 1.00 0.00 WT2 H ATOM 33462 H2 TIP3 6889 48.132 64.577 -12.256 1.00 0.00 WT2 H ATOM 33463 OH2 TIP3 6890 43.677 78.501 29.353 1.00 0.00 WT2 O ATOM 33464 H1 TIP3 6890 43.915 78.197 30.229 1.00 0.00 WT2 H ATOM 33465 H2 TIP3 6890 43.578 77.700 28.839 1.00 0.00 WT2 H ATOM 33466 OH2 TIP3 6893 83.566 12.437 -2.620 1.00 0.00 WT2 O ATOM 33467 H1 TIP3 6893 83.186 13.193 -2.172 1.00 0.00 WT2 H ATOM 33468 H2 TIP3 6893 83.662 12.720 -3.529 1.00 0.00 WT2 H ATOM 33469 OH2 TIP3 6896 45.792 76.970 7.374 1.00 0.00 WT2 O ATOM 33470 H1 TIP3 6896 46.058 76.146 6.967 1.00 0.00 WT2 H ATOM 33471 H2 TIP3 6896 46.604 77.340 7.721 1.00 0.00 WT2 H ATOM 33472 OH2 TIP3 6910 21.745 51.038 16.573 1.00 0.00 WT2 O ATOM 33473 H1 TIP3 6910 22.242 51.706 17.046 1.00 0.00 WT2 H ATOM 33474 H2 TIP3 6910 20.896 51.447 16.402 1.00 0.00 WT2 H ATOM 33475 OH2 TIP3 6911 29.529 39.764 43.467 1.00 0.00 WT2 O ATOM 33476 H1 TIP3 6911 29.959 40.556 43.145 1.00 0.00 WT2 H ATOM 33477 H2 TIP3 6911 28.835 40.084 44.043 1.00 0.00 WT2 H ATOM 33478 OH2 TIP3 6913 39.651 87.269 29.217 1.00 0.00 WT2 O ATOM 33479 H1 TIP3 6913 40.415 86.913 28.764 1.00 0.00 WT2 H ATOM 33480 H2 TIP3 6913 39.324 86.540 29.744 1.00 0.00 WT2 H ATOM 33481 OH2 TIP3 6914 74.988 11.073 66.488 1.00 0.00 WT2 O ATOM 33482 H1 TIP3 6914 75.567 11.355 65.779 1.00 0.00 WT2 H ATOM 33483 H2 TIP3 6914 75.374 11.450 67.278 1.00 0.00 WT2 H ATOM 33484 OH2 TIP3 6915 55.054 7.509 -17.331 1.00 0.00 WT2 O ATOM 33485 H1 TIP3 6915 54.941 7.485 -18.281 1.00 0.00 WT2 H ATOM 33486 H2 TIP3 6915 55.905 7.929 -17.202 1.00 0.00 WT2 H ATOM 33487 OH2 TIP3 6916 66.044 0.994 21.352 1.00 0.00 WT2 O ATOM 33488 H1 TIP3 6916 66.435 0.338 20.775 1.00 0.00 WT2 H ATOM 33489 H2 TIP3 6916 65.244 0.582 21.676 1.00 0.00 WT2 H ATOM 33490 OH2 TIP3 6919 83.376 79.730 39.468 1.00 0.00 WT2 O ATOM 33491 H1 TIP3 6919 82.654 80.175 39.024 1.00 0.00 WT2 H ATOM 33492 H2 TIP3 6919 83.194 78.798 39.348 1.00 0.00 WT2 H ATOM 33493 OH2 TIP3 6928 57.157 50.443 -15.484 1.00 0.00 WT2 O ATOM 33494 H1 TIP3 6928 57.831 50.686 -14.849 1.00 0.00 WT2 H ATOM 33495 H2 TIP3 6928 57.510 50.727 -16.328 1.00 0.00 WT2 H ATOM 33496 OH2 TIP3 6932 66.918 34.938 51.174 1.00 0.00 WT2 O ATOM 33497 H1 TIP3 6932 67.481 35.551 50.701 1.00 0.00 WT2 H ATOM 33498 H2 TIP3 6932 66.736 34.243 50.541 1.00 0.00 WT2 H ATOM 33499 OH2 TIP3 6933 70.859 76.618 30.253 1.00 0.00 WT2 O ATOM 33500 H1 TIP3 6933 70.529 75.775 29.942 1.00 0.00 WT2 H ATOM 33501 H2 TIP3 6933 70.074 77.104 30.508 1.00 0.00 WT2 H ATOM 33502 OH2 TIP3 6935 68.450 55.154 9.181 1.00 0.00 WT2 O ATOM 33503 H1 TIP3 6935 68.959 54.944 9.964 1.00 0.00 WT2 H ATOM 33504 H2 TIP3 6935 67.547 54.944 9.417 1.00 0.00 WT2 H ATOM 33505 OH2 TIP3 6936 66.520 24.542 42.212 1.00 0.00 WT2 O ATOM 33506 H1 TIP3 6936 66.003 25.347 42.212 1.00 0.00 WT2 H ATOM 33507 H2 TIP3 6936 67.346 24.786 41.796 1.00 0.00 WT2 H ATOM 33508 OH2 TIP3 6952 81.607 1.799 -13.550 1.00 0.00 WT2 O ATOM 33509 H1 TIP3 6952 81.661 0.853 -13.417 1.00 0.00 WT2 H ATOM 33510 H2 TIP3 6952 81.167 2.127 -12.766 1.00 0.00 WT2 H ATOM 33511 OH2 TIP3 6953 54.829 32.655 35.074 1.00 0.00 WT2 O ATOM 33512 H1 TIP3 6953 55.050 33.497 35.471 1.00 0.00 WT2 H ATOM 33513 H2 TIP3 6953 53.875 32.604 35.133 1.00 0.00 WT2 H ATOM 33514 OH2 TIP3 6955 43.734 71.271 29.651 1.00 0.00 WT2 O ATOM 33515 H1 TIP3 6955 43.464 72.185 29.568 1.00 0.00 WT2 H ATOM 33516 H2 TIP3 6955 44.669 71.314 29.851 1.00 0.00 WT2 H ATOM 33517 OH2 TIP3 6957 70.243 30.703 27.478 1.00 0.00 WT2 O ATOM 33518 H1 TIP3 6957 69.624 30.240 26.914 1.00 0.00 WT2 H ATOM 33519 H2 TIP3 6957 70.746 30.009 27.904 1.00 0.00 WT2 H ATOM 33520 OH2 TIP3 6959 45.654 52.954 -17.644 1.00 0.00 WT2 O ATOM 33521 H1 TIP3 6959 44.833 53.446 -17.667 1.00 0.00 WT2 H ATOM 33522 H2 TIP3 6959 45.655 52.529 -16.787 1.00 0.00 WT2 H ATOM 33523 OH2 TIP3 6970 88.307 90.564 38.902 1.00 0.00 WT2 O ATOM 33524 H1 TIP3 6970 88.044 90.071 39.679 1.00 0.00 WT2 H ATOM 33525 H2 TIP3 6970 89.064 91.075 39.186 1.00 0.00 WT2 H ATOM 33526 OH2 TIP3 6973 63.292 47.912 -5.132 1.00 0.00 WT2 O ATOM 33527 H1 TIP3 6973 62.968 47.850 -4.233 1.00 0.00 WT2 H ATOM 33528 H2 TIP3 6973 62.503 48.012 -5.665 1.00 0.00 WT2 H ATOM 33529 OH2 TIP3 6975 62.950 92.154 -18.725 1.00 0.00 WT2 O ATOM 33530 H1 TIP3 6975 63.284 92.627 -17.964 1.00 0.00 WT2 H ATOM 33531 H2 TIP3 6975 62.900 92.815 -19.416 1.00 0.00 WT2 H ATOM 33532 OH2 TIP3 6977 47.664 32.137 34.642 1.00 0.00 WT2 O ATOM 33533 H1 TIP3 6977 47.220 32.623 35.337 1.00 0.00 WT2 H ATOM 33534 H2 TIP3 6977 47.938 32.808 34.017 1.00 0.00 WT2 H ATOM 33535 OH2 TIP3 6978 58.999 42.904 44.741 1.00 0.00 WT2 O ATOM 33536 H1 TIP3 6978 59.135 43.383 43.923 1.00 0.00 WT2 H ATOM 33537 H2 TIP3 6978 59.880 42.767 45.089 1.00 0.00 WT2 H ATOM 33538 OH2 TIP3 6980 36.799 29.922 2.913 1.00 0.00 WT2 O ATOM 33539 H1 TIP3 6980 35.877 29.672 2.850 1.00 0.00 WT2 H ATOM 33540 H2 TIP3 6980 37.194 29.245 3.464 1.00 0.00 WT2 H ATOM 33541 OH2 TIP3 6993 50.346 55.119 44.505 1.00 0.00 WT2 O ATOM 33542 H1 TIP3 6993 50.950 55.397 43.816 1.00 0.00 WT2 H ATOM 33543 H2 TIP3 6993 49.572 55.669 44.381 1.00 0.00 WT2 H ATOM 33544 OH2 TIP3 6995 40.209 37.826 55.896 1.00 0.00 WT2 O ATOM 33545 H1 TIP3 6995 40.213 38.653 56.379 1.00 0.00 WT2 H ATOM 33546 H2 TIP3 6995 41.083 37.770 55.508 1.00 0.00 WT2 H ATOM 33547 OH2 TIP3 6997 36.512 56.578 24.861 1.00 0.00 WT2 O ATOM 33548 H1 TIP3 6997 36.241 57.482 25.022 1.00 0.00 WT2 H ATOM 33549 H2 TIP3 6997 37.436 56.556 25.110 1.00 0.00 WT2 H ATOM 33550 OH2 TIP3 6998 75.615 53.415 58.343 1.00 0.00 WT2 O ATOM 33551 H1 TIP3 6998 75.793 52.582 58.780 1.00 0.00 WT2 H ATOM 33552 H2 TIP3 6998 76.419 53.922 58.457 1.00 0.00 WT2 H ATOM 33553 OH2 TIP3 6999 77.676 41.037 47.465 1.00 0.00 WT2 O ATOM 33554 H1 TIP3 6999 77.277 40.261 47.070 1.00 0.00 WT2 H ATOM 33555 H2 TIP3 6999 77.885 40.770 48.360 1.00 0.00 WT2 H ATOM 33556 OH2 TIP3 7000 54.356 41.940 -12.485 1.00 0.00 WT2 O ATOM 33557 H1 TIP3 7000 54.131 42.864 -12.373 1.00 0.00 WT2 H ATOM 33558 H2 TIP3 7000 53.575 41.467 -12.199 1.00 0.00 WT2 H ATOM 33559 OH2 TIP3 7002 62.441 54.211 -19.771 1.00 0.00 WT2 O ATOM 33560 H1 TIP3 7002 62.159 55.091 -19.520 1.00 0.00 WT2 H ATOM 33561 H2 TIP3 7002 61.653 53.674 -19.687 1.00 0.00 WT2 H ATOM 33562 OH2 TIP3 7015 55.679 16.850 51.856 1.00 0.00 WT2 O ATOM 33563 H1 TIP3 7015 56.481 16.393 52.111 1.00 0.00 WT2 H ATOM 33564 H2 TIP3 7015 55.491 16.531 50.973 1.00 0.00 WT2 H ATOM 33565 OH2 TIP3 7017 45.041 25.385 46.515 1.00 0.00 WT2 O ATOM 33566 H1 TIP3 7017 45.317 25.524 47.422 1.00 0.00 WT2 H ATOM 33567 H2 TIP3 7017 45.852 25.190 46.046 1.00 0.00 WT2 H ATOM 33568 OH2 TIP3 7018 61.149 81.888 -15.597 1.00 0.00 WT2 O ATOM 33569 H1 TIP3 7018 62.076 82.126 -15.583 1.00 0.00 WT2 H ATOM 33570 H2 TIP3 7018 61.015 81.494 -16.459 1.00 0.00 WT2 H ATOM 33571 OH2 TIP3 7019 37.216 88.882 5.492 1.00 0.00 WT2 O ATOM 33572 H1 TIP3 7019 36.371 88.549 5.190 1.00 0.00 WT2 H ATOM 33573 H2 TIP3 7019 37.664 89.161 4.693 1.00 0.00 WT2 H ATOM 33574 OH2 TIP3 7020 25.966 87.972 -15.308 1.00 0.00 WT2 O ATOM 33575 H1 TIP3 7020 25.374 87.356 -15.740 1.00 0.00 WT2 H ATOM 33576 H2 TIP3 7020 26.452 87.437 -14.680 1.00 0.00 WT2 H ATOM 33577 OH2 TIP3 7021 65.174 21.997 -12.254 1.00 0.00 WT2 O ATOM 33578 H1 TIP3 7021 64.588 21.949 -13.010 1.00 0.00 WT2 H ATOM 33579 H2 TIP3 7021 64.618 22.307 -11.539 1.00 0.00 WT2 H ATOM 33580 OH2 TIP3 7023 89.524 57.854 25.296 1.00 0.00 WT2 O ATOM 33581 H1 TIP3 7023 90.452 57.845 25.062 1.00 0.00 WT2 H ATOM 33582 H2 TIP3 7023 89.351 56.970 25.622 1.00 0.00 WT2 H ATOM 33583 OH2 TIP3 7024 40.253 92.467 3.992 1.00 0.00 WT2 O ATOM 33584 H1 TIP3 7024 40.516 91.637 4.389 1.00 0.00 WT2 H ATOM 33585 H2 TIP3 7024 40.411 93.120 4.674 1.00 0.00 WT2 H ATOM 33586 OH2 TIP3 7035 80.355 22.498 48.555 1.00 0.00 WT2 O ATOM 33587 H1 TIP3 7035 80.669 23.241 49.070 1.00 0.00 WT2 H ATOM 33588 H2 TIP3 7035 80.727 22.636 47.683 1.00 0.00 WT2 H ATOM 33589 OH2 TIP3 7038 83.548 82.729 -16.647 1.00 0.00 WT2 O ATOM 33590 H1 TIP3 7038 84.339 83.238 -16.824 1.00 0.00 WT2 H ATOM 33591 H2 TIP3 7038 83.837 82.037 -16.052 1.00 0.00 WT2 H ATOM 33592 OH2 TIP3 7040 50.608 45.335 -19.497 1.00 0.00 WT2 O ATOM 33593 H1 TIP3 7040 51.411 45.690 -19.116 1.00 0.00 WT2 H ATOM 33594 H2 TIP3 7040 50.741 45.402 -20.443 1.00 0.00 WT2 H ATOM 33595 OH2 TIP3 7041 75.334 34.408 7.802 1.00 0.00 WT2 O ATOM 33596 H1 TIP3 7041 76.222 34.422 8.159 1.00 0.00 WT2 H ATOM 33597 H2 TIP3 7041 74.821 33.931 8.455 1.00 0.00 WT2 H ATOM 33598 OH2 TIP3 7042 59.093 5.950 -3.812 1.00 0.00 WT2 O ATOM 33599 H1 TIP3 7042 58.963 5.588 -2.935 1.00 0.00 WT2 H ATOM 33600 H2 TIP3 7042 59.595 6.752 -3.668 1.00 0.00 WT2 H ATOM 33601 OH2 TIP3 7043 37.554 18.761 46.196 1.00 0.00 WT2 O ATOM 33602 H1 TIP3 7043 37.174 19.556 46.570 1.00 0.00 WT2 H ATOM 33603 H2 TIP3 7043 36.886 18.438 45.591 1.00 0.00 WT2 H ATOM 33604 OH2 TIP3 7044 42.095 37.829 -8.918 1.00 0.00 WT2 O ATOM 33605 H1 TIP3 7044 42.488 38.511 -8.372 1.00 0.00 WT2 H ATOM 33606 H2 TIP3 7044 41.151 37.956 -8.818 1.00 0.00 WT2 H ATOM 33607 OH2 TIP3 7052 77.187 76.739 35.285 1.00 0.00 WT2 O ATOM 33608 H1 TIP3 7052 77.802 76.059 35.559 1.00 0.00 WT2 H ATOM 33609 H2 TIP3 7052 76.407 76.588 35.818 1.00 0.00 WT2 H ATOM 33610 OH2 TIP3 7058 90.084 28.287 25.806 1.00 0.00 WT2 O ATOM 33611 H1 TIP3 7058 90.538 29.109 25.620 1.00 0.00 WT2 H ATOM 33612 H2 TIP3 7058 89.801 27.971 24.948 1.00 0.00 WT2 H ATOM 33613 OH2 TIP3 7059 34.058 74.821 40.772 1.00 0.00 WT2 O ATOM 33614 H1 TIP3 7059 34.908 74.384 40.829 1.00 0.00 WT2 H ATOM 33615 H2 TIP3 7059 33.743 74.620 39.892 1.00 0.00 WT2 H ATOM 33616 OH2 TIP3 7061 28.648 53.944 46.137 1.00 0.00 WT2 O ATOM 33617 H1 TIP3 7061 29.095 53.672 46.938 1.00 0.00 WT2 H ATOM 33618 H2 TIP3 7061 27.948 53.302 46.022 1.00 0.00 WT2 H ATOM 33619 OH2 TIP3 7062 78.432 95.685 -1.193 1.00 0.00 WT2 O ATOM 33620 H1 TIP3 7062 79.153 95.926 -1.775 1.00 0.00 WT2 H ATOM 33621 H2 TIP3 7062 78.069 96.520 -0.901 1.00 0.00 WT2 H ATOM 33622 OH2 TIP3 7063 72.508 13.076 56.639 1.00 0.00 WT2 O ATOM 33623 H1 TIP3 7063 72.362 12.295 57.172 1.00 0.00 WT2 H ATOM 33624 H2 TIP3 7063 72.872 12.742 55.819 1.00 0.00 WT2 H ATOM 33625 OH2 TIP3 7064 46.201 7.513 66.854 1.00 0.00 WT2 O ATOM 33626 H1 TIP3 7064 45.513 6.962 66.479 1.00 0.00 WT2 H ATOM 33627 H2 TIP3 7064 46.466 7.056 67.652 1.00 0.00 WT2 H ATOM 33628 OH2 TIP3 7065 39.935 74.755 64.894 1.00 0.00 WT2 O ATOM 33629 H1 TIP3 7065 39.499 74.068 64.391 1.00 0.00 WT2 H ATOM 33630 H2 TIP3 7065 40.869 74.567 64.797 1.00 0.00 WT2 H ATOM 33631 OH2 TIP3 7066 74.885 72.053 -15.638 1.00 0.00 WT2 O ATOM 33632 H1 TIP3 7066 75.311 71.202 -15.538 1.00 0.00 WT2 H ATOM 33633 H2 TIP3 7066 74.198 72.058 -14.971 1.00 0.00 WT2 H ATOM 33634 OH2 TIP3 7076 88.137 2.237 41.842 1.00 0.00 WT2 O ATOM 33635 H1 TIP3 7076 88.558 1.575 41.292 1.00 0.00 WT2 H ATOM 33636 H2 TIP3 7076 88.774 2.414 42.534 1.00 0.00 WT2 H ATOM 33637 OH2 TIP3 7078 71.427 43.753 12.828 1.00 0.00 WT2 O ATOM 33638 H1 TIP3 7078 70.836 44.047 13.522 1.00 0.00 WT2 H ATOM 33639 H2 TIP3 7078 71.942 43.054 13.231 1.00 0.00 WT2 H ATOM 33640 OH2 TIP3 7081 51.619 25.827 45.618 1.00 0.00 WT2 O ATOM 33641 H1 TIP3 7081 51.205 26.681 45.744 1.00 0.00 WT2 H ATOM 33642 H2 TIP3 7081 52.557 26.016 45.589 1.00 0.00 WT2 H ATOM 33643 OH2 TIP3 7100 71.482 7.154 11.309 1.00 0.00 WT2 O ATOM 33644 H1 TIP3 7100 72.397 7.171 11.588 1.00 0.00 WT2 H ATOM 33645 H2 TIP3 7100 71.497 6.708 10.462 1.00 0.00 WT2 H ATOM 33646 OH2 TIP3 7101 21.888 81.867 27.423 1.00 0.00 WT2 O ATOM 33647 H1 TIP3 7101 22.610 81.630 26.841 1.00 0.00 WT2 H ATOM 33648 H2 TIP3 7101 21.863 82.824 27.396 1.00 0.00 WT2 H ATOM 33649 OH2 TIP3 7102 31.838 1.135 2.603 1.00 0.00 WT2 O ATOM 33650 H1 TIP3 7102 31.523 0.863 1.741 1.00 0.00 WT2 H ATOM 33651 H2 TIP3 7102 31.331 0.609 3.221 1.00 0.00 WT2 H ATOM 33652 OH2 TIP3 7104 79.883 14.647 -2.913 1.00 0.00 WT2 O ATOM 33653 H1 TIP3 7104 79.191 14.352 -2.322 1.00 0.00 WT2 H ATOM 33654 H2 TIP3 7104 79.490 14.599 -3.785 1.00 0.00 WT2 H ATOM 33655 OH2 TIP3 7107 23.066 8.597 39.535 1.00 0.00 WT2 O ATOM 33656 H1 TIP3 7107 22.332 9.211 39.514 1.00 0.00 WT2 H ATOM 33657 H2 TIP3 7107 23.364 8.547 38.627 1.00 0.00 WT2 H ATOM 33658 OH2 TIP3 7120 48.481 75.300 40.610 1.00 0.00 WT2 O ATOM 33659 H1 TIP3 7120 48.285 76.162 40.976 1.00 0.00 WT2 H ATOM 33660 H2 TIP3 7120 48.006 75.279 39.778 1.00 0.00 WT2 H ATOM 33661 OH2 TIP3 7121 48.635 84.010 28.497 1.00 0.00 WT2 O ATOM 33662 H1 TIP3 7121 48.410 83.444 27.759 1.00 0.00 WT2 H ATOM 33663 H2 TIP3 7121 49.200 83.470 29.050 1.00 0.00 WT2 H ATOM 33664 OH2 TIP3 7122 36.649 57.373 8.996 1.00 0.00 WT2 O ATOM 33665 H1 TIP3 7122 37.260 58.085 9.183 1.00 0.00 WT2 H ATOM 33666 H2 TIP3 7122 36.895 56.678 9.607 1.00 0.00 WT2 H ATOM 33667 OH2 TIP3 7123 52.882 8.386 31.149 1.00 0.00 WT2 O ATOM 33668 H1 TIP3 7123 53.353 8.992 30.577 1.00 0.00 WT2 H ATOM 33669 H2 TIP3 7123 52.112 8.877 31.437 1.00 0.00 WT2 H ATOM 33670 OH2 TIP3 7124 69.780 52.206 26.241 1.00 0.00 WT2 O ATOM 33671 H1 TIP3 7124 68.857 52.235 26.494 1.00 0.00 WT2 H ATOM 33672 H2 TIP3 7124 69.852 51.430 25.684 1.00 0.00 WT2 H ATOM 33673 OH2 TIP3 7125 81.520 43.526 58.222 1.00 0.00 WT2 O ATOM 33674 H1 TIP3 7125 82.193 43.916 58.780 1.00 0.00 WT2 H ATOM 33675 H2 TIP3 7125 80.820 44.178 58.199 1.00 0.00 WT2 H ATOM 33676 OH2 TIP3 7128 73.720 2.725 59.470 1.00 0.00 WT2 O ATOM 33677 H1 TIP3 7128 73.475 2.368 58.617 1.00 0.00 WT2 H ATOM 33678 H2 TIP3 7128 74.633 2.991 59.366 1.00 0.00 WT2 H ATOM 33679 OH2 TIP3 7141 25.630 23.119 1.686 1.00 0.00 WT2 O ATOM 33680 H1 TIP3 7141 25.665 23.880 1.106 1.00 0.00 WT2 H ATOM 33681 H2 TIP3 7141 26.468 22.676 1.550 1.00 0.00 WT2 H ATOM 33682 OH2 TIP3 7142 29.101 47.176 5.013 1.00 0.00 WT2 O ATOM 33683 H1 TIP3 7142 29.493 46.632 5.695 1.00 0.00 WT2 H ATOM 33684 H2 TIP3 7142 28.607 47.842 5.491 1.00 0.00 WT2 H ATOM 33685 OH2 TIP3 7143 32.031 20.125 13.887 1.00 0.00 WT2 O ATOM 33686 H1 TIP3 7143 32.725 20.668 13.513 1.00 0.00 WT2 H ATOM 33687 H2 TIP3 7143 31.343 20.124 13.222 1.00 0.00 WT2 H ATOM 33688 OH2 TIP3 7144 52.099 13.100 50.082 1.00 0.00 WT2 O ATOM 33689 H1 TIP3 7144 52.234 12.608 49.272 1.00 0.00 WT2 H ATOM 33690 H2 TIP3 7144 52.940 13.049 50.536 1.00 0.00 WT2 H ATOM 33691 OH2 TIP3 7145 77.404 54.990 32.719 1.00 0.00 WT2 O ATOM 33692 H1 TIP3 7145 78.023 55.718 32.656 1.00 0.00 WT2 H ATOM 33693 H2 TIP3 7145 77.259 54.720 31.812 1.00 0.00 WT2 H ATOM 33694 OH2 TIP3 7146 46.704 83.797 61.775 1.00 0.00 WT2 O ATOM 33695 H1 TIP3 7146 47.595 84.040 62.027 1.00 0.00 WT2 H ATOM 33696 H2 TIP3 7146 46.585 82.917 62.132 1.00 0.00 WT2 H ATOM 33697 OH2 TIP3 7147 44.067 10.099 53.870 1.00 0.00 WT2 O ATOM 33698 H1 TIP3 7147 43.463 10.756 53.524 1.00 0.00 WT2 H ATOM 33699 H2 TIP3 7147 44.137 9.447 53.172 1.00 0.00 WT2 H ATOM 33700 OH2 TIP3 7148 86.365 24.134 37.229 1.00 0.00 WT2 O ATOM 33701 H1 TIP3 7148 86.522 25.072 37.115 1.00 0.00 WT2 H ATOM 33702 H2 TIP3 7148 86.036 24.053 38.124 1.00 0.00 WT2 H ATOM 33703 OH2 TIP3 7161 50.101 42.124 -8.075 1.00 0.00 WT2 O ATOM 33704 H1 TIP3 7161 49.430 41.467 -7.889 1.00 0.00 WT2 H ATOM 33705 H2 TIP3 7161 49.622 42.848 -8.478 1.00 0.00 WT2 H ATOM 33706 OH2 TIP3 7166 36.124 79.869 21.463 1.00 0.00 WT2 O ATOM 33707 H1 TIP3 7166 35.716 79.072 21.125 1.00 0.00 WT2 H ATOM 33708 H2 TIP3 7166 36.370 79.651 22.362 1.00 0.00 WT2 H ATOM 33709 OH2 TIP3 7179 76.591 73.429 -19.368 1.00 0.00 WT2 O ATOM 33710 H1 TIP3 7179 75.949 73.789 -19.980 1.00 0.00 WT2 H ATOM 33711 H2 TIP3 7179 77.389 73.930 -19.535 1.00 0.00 WT2 H ATOM 33712 OH2 TIP3 7181 32.943 72.874 33.397 1.00 0.00 WT2 O ATOM 33713 H1 TIP3 7181 33.774 73.101 32.980 1.00 0.00 WT2 H ATOM 33714 H2 TIP3 7181 33.182 72.629 34.291 1.00 0.00 WT2 H ATOM 33715 OH2 TIP3 7182 84.427 3.261 63.919 1.00 0.00 WT2 O ATOM 33716 H1 TIP3 7182 83.825 3.049 64.632 1.00 0.00 WT2 H ATOM 33717 H2 TIP3 7182 84.265 4.186 63.735 1.00 0.00 WT2 H ATOM 33718 OH2 TIP3 7183 69.052 22.300 63.383 1.00 0.00 WT2 O ATOM 33719 H1 TIP3 7183 68.622 21.707 62.767 1.00 0.00 WT2 H ATOM 33720 H2 TIP3 7183 68.569 23.123 63.299 1.00 0.00 WT2 H ATOM 33721 OH2 TIP3 7184 34.346 29.202 -15.329 1.00 0.00 WT2 O ATOM 33722 H1 TIP3 7184 34.914 29.649 -14.703 1.00 0.00 WT2 H ATOM 33723 H2 TIP3 7184 34.371 29.752 -16.112 1.00 0.00 WT2 H ATOM 33724 OH2 TIP3 7185 30.508 0.293 23.029 1.00 0.00 WT2 O ATOM 33725 H1 TIP3 7185 29.698 0.584 22.610 1.00 0.00 WT2 H ATOM 33726 H2 TIP3 7185 30.234 -0.012 23.894 1.00 0.00 WT2 H ATOM 33727 OH2 TIP3 7186 75.451 5.518 -0.583 1.00 0.00 WT2 O ATOM 33728 H1 TIP3 7186 76.076 5.264 0.096 1.00 0.00 WT2 H ATOM 33729 H2 TIP3 7186 75.269 6.441 -0.408 1.00 0.00 WT2 H ATOM 33730 OH2 TIP3 7187 63.533 55.697 -14.030 1.00 0.00 WT2 O ATOM 33731 H1 TIP3 7187 63.400 56.642 -13.964 1.00 0.00 WT2 H ATOM 33732 H2 TIP3 7187 64.464 55.598 -14.228 1.00 0.00 WT2 H ATOM 33733 OH2 TIP3 7188 79.506 19.053 57.661 1.00 0.00 WT2 O ATOM 33734 H1 TIP3 7188 80.158 18.357 57.739 1.00 0.00 WT2 H ATOM 33735 H2 TIP3 7188 79.741 19.680 58.345 1.00 0.00 WT2 H ATOM 33736 OH2 TIP3 7189 25.780 15.062 50.138 1.00 0.00 WT2 O ATOM 33737 H1 TIP3 7189 25.767 14.697 51.023 1.00 0.00 WT2 H ATOM 33738 H2 TIP3 7189 26.085 15.962 50.254 1.00 0.00 WT2 H ATOM 33739 OH2 TIP3 7200 64.932 4.119 23.644 1.00 0.00 WT2 O ATOM 33740 H1 TIP3 7200 64.998 5.064 23.505 1.00 0.00 WT2 H ATOM 33741 H2 TIP3 7200 63.996 3.931 23.568 1.00 0.00 WT2 H ATOM 33742 OH2 TIP3 7203 73.871 59.097 44.452 1.00 0.00 WT2 O ATOM 33743 H1 TIP3 7203 74.292 59.452 45.235 1.00 0.00 WT2 H ATOM 33744 H2 TIP3 7203 73.010 58.806 44.753 1.00 0.00 WT2 H ATOM 33745 OH2 TIP3 7206 63.143 67.042 -18.795 1.00 0.00 WT2 O ATOM 33746 H1 TIP3 7206 62.447 67.349 -18.214 1.00 0.00 WT2 H ATOM 33747 H2 TIP3 7206 63.742 66.564 -18.221 1.00 0.00 WT2 H ATOM 33748 OH2 TIP3 7207 78.848 36.327 36.707 1.00 0.00 WT2 O ATOM 33749 H1 TIP3 7207 79.270 36.364 37.565 1.00 0.00 WT2 H ATOM 33750 H2 TIP3 7207 77.954 36.038 36.890 1.00 0.00 WT2 H ATOM 33751 OH2 TIP3 7210 53.800 91.487 -14.222 1.00 0.00 WT2 O ATOM 33752 H1 TIP3 7210 53.606 90.663 -14.669 1.00 0.00 WT2 H ATOM 33753 H2 TIP3 7210 53.437 91.375 -13.344 1.00 0.00 WT2 H ATOM 33754 OH2 TIP3 7211 83.209 19.640 57.148 1.00 0.00 WT2 O ATOM 33755 H1 TIP3 7211 82.756 20.248 57.732 1.00 0.00 WT2 H ATOM 33756 H2 TIP3 7211 82.665 18.853 57.152 1.00 0.00 WT2 H ATOM 33757 OH2 TIP3 7212 49.687 53.763 -0.652 1.00 0.00 WT2 O ATOM 33758 H1 TIP3 7212 49.215 54.584 -0.514 1.00 0.00 WT2 H ATOM 33759 H2 TIP3 7212 49.828 53.417 0.229 1.00 0.00 WT2 H ATOM 33760 OH2 TIP3 7213 22.693 18.688 46.638 1.00 0.00 WT2 O ATOM 33761 H1 TIP3 7213 22.236 18.535 45.811 1.00 0.00 WT2 H ATOM 33762 H2 TIP3 7213 22.704 19.641 46.733 1.00 0.00 WT2 H ATOM 33763 OH2 TIP3 7222 86.279 92.237 3.244 1.00 0.00 WT2 O ATOM 33764 H1 TIP3 7222 86.525 92.457 4.143 1.00 0.00 WT2 H ATOM 33765 H2 TIP3 7222 85.339 92.411 3.203 1.00 0.00 WT2 H ATOM 33766 OH2 TIP3 7226 25.726 30.492 66.481 1.00 0.00 WT2 O ATOM 33767 H1 TIP3 7226 24.804 30.308 66.660 1.00 0.00 WT2 H ATOM 33768 H2 TIP3 7226 25.769 31.444 66.397 1.00 0.00 WT2 H ATOM 33769 OH2 TIP3 7227 51.341 21.571 30.299 1.00 0.00 WT2 O ATOM 33770 H1 TIP3 7227 52.144 21.252 29.887 1.00 0.00 WT2 H ATOM 33771 H2 TIP3 7227 50.636 21.233 29.747 1.00 0.00 WT2 H ATOM 33772 OH2 TIP3 7228 21.063 9.949 -12.468 1.00 0.00 WT2 O ATOM 33773 H1 TIP3 7228 20.643 10.555 -11.859 1.00 0.00 WT2 H ATOM 33774 H2 TIP3 7228 21.814 10.434 -12.810 1.00 0.00 WT2 H ATOM 33775 OH2 TIP3 7229 60.498 53.754 57.608 1.00 0.00 WT2 O ATOM 33776 H1 TIP3 7229 59.612 53.698 57.250 1.00 0.00 WT2 H ATOM 33777 H2 TIP3 7229 61.025 53.200 57.032 1.00 0.00 WT2 H ATOM 33778 OH2 TIP3 7230 32.418 25.025 -3.399 1.00 0.00 WT2 O ATOM 33779 H1 TIP3 7230 31.857 25.265 -4.136 1.00 0.00 WT2 H ATOM 33780 H2 TIP3 7230 33.308 25.080 -3.747 1.00 0.00 WT2 H ATOM 33781 OH2 TIP3 7246 42.093 43.768 25.808 1.00 0.00 WT2 O ATOM 33782 H1 TIP3 7246 42.079 43.215 25.026 1.00 0.00 WT2 H ATOM 33783 H2 TIP3 7246 42.973 44.143 25.820 1.00 0.00 WT2 H ATOM 33784 OH2 TIP3 7247 63.992 95.767 -15.916 1.00 0.00 WT2 O ATOM 33785 H1 TIP3 7247 63.242 96.340 -15.759 1.00 0.00 WT2 H ATOM 33786 H2 TIP3 7247 63.627 95.019 -16.390 1.00 0.00 WT2 H ATOM 33787 OH2 TIP3 7248 76.060 15.735 63.240 1.00 0.00 WT2 O ATOM 33788 H1 TIP3 7248 76.888 15.291 63.424 1.00 0.00 WT2 H ATOM 33789 H2 TIP3 7248 75.998 15.741 62.285 1.00 0.00 WT2 H ATOM 33790 OH2 TIP3 7249 26.685 35.386 39.323 1.00 0.00 WT2 O ATOM 33791 H1 TIP3 7249 27.355 35.743 38.740 1.00 0.00 WT2 H ATOM 33792 H2 TIP3 7249 25.942 35.201 38.749 1.00 0.00 WT2 H ATOM 33793 OH2 TIP3 7250 79.576 94.073 65.512 1.00 0.00 WT2 O ATOM 33794 H1 TIP3 7250 80.155 94.318 64.790 1.00 0.00 WT2 H ATOM 33795 H2 TIP3 7250 79.132 94.887 65.751 1.00 0.00 WT2 H ATOM 33796 OH2 TIP3 7251 42.721 23.106 42.545 1.00 0.00 WT2 O ATOM 33797 H1 TIP3 7251 43.457 23.676 42.326 1.00 0.00 WT2 H ATOM 33798 H2 TIP3 7251 42.475 23.362 43.434 1.00 0.00 WT2 H ATOM 33799 OH2 TIP3 7253 57.529 91.775 40.129 1.00 0.00 WT2 O ATOM 33800 H1 TIP3 7253 57.766 91.966 39.222 1.00 0.00 WT2 H ATOM 33801 H2 TIP3 7253 58.144 91.093 40.399 1.00 0.00 WT2 H ATOM 33802 OH2 TIP3 7254 53.710 92.019 65.371 1.00 0.00 WT2 O ATOM 33803 H1 TIP3 7254 54.504 91.630 65.003 1.00 0.00 WT2 H ATOM 33804 H2 TIP3 7254 53.876 92.962 65.356 1.00 0.00 WT2 H ATOM 33805 OH2 TIP3 7264 53.973 44.706 -12.121 1.00 0.00 WT2 O ATOM 33806 H1 TIP3 7264 54.865 44.898 -12.411 1.00 0.00 WT2 H ATOM 33807 H2 TIP3 7264 54.025 44.709 -11.166 1.00 0.00 WT2 H ATOM 33808 OH2 TIP3 7267 77.635 65.989 38.620 1.00 0.00 WT2 O ATOM 33809 H1 TIP3 7267 78.139 65.930 37.808 1.00 0.00 WT2 H ATOM 33810 H2 TIP3 7267 76.762 66.268 38.341 1.00 0.00 WT2 H ATOM 33811 OH2 TIP3 7268 37.833 50.718 58.513 1.00 0.00 WT2 O ATOM 33812 H1 TIP3 7268 36.946 51.063 58.410 1.00 0.00 WT2 H ATOM 33813 H2 TIP3 7268 37.775 49.812 58.209 1.00 0.00 WT2 H ATOM 33814 OH2 TIP3 7269 72.931 12.296 38.462 1.00 0.00 WT2 O ATOM 33815 H1 TIP3 7269 73.843 12.368 38.178 1.00 0.00 WT2 H ATOM 33816 H2 TIP3 7269 72.986 12.052 39.386 1.00 0.00 WT2 H ATOM 33817 OH2 TIP3 7270 33.426 23.067 49.464 1.00 0.00 WT2 O ATOM 33818 H1 TIP3 7270 33.758 23.831 48.992 1.00 0.00 WT2 H ATOM 33819 H2 TIP3 7270 33.877 23.092 50.308 1.00 0.00 WT2 H ATOM 33820 OH2 TIP3 7271 86.369 65.344 -16.786 1.00 0.00 WT2 O ATOM 33821 H1 TIP3 7271 85.661 65.985 -16.731 1.00 0.00 WT2 H ATOM 33822 H2 TIP3 7271 86.586 65.149 -15.874 1.00 0.00 WT2 H ATOM 33823 OH2 TIP3 7272 53.910 24.232 13.708 1.00 0.00 WT2 O ATOM 33824 H1 TIP3 7272 53.093 23.790 13.940 1.00 0.00 WT2 H ATOM 33825 H2 TIP3 7272 53.865 25.073 14.162 1.00 0.00 WT2 H ATOM 33826 OH2 TIP3 7273 27.201 50.030 12.788 1.00 0.00 WT2 O ATOM 33827 H1 TIP3 7273 27.422 50.774 12.228 1.00 0.00 WT2 H ATOM 33828 H2 TIP3 7273 26.244 49.998 12.777 1.00 0.00 WT2 H ATOM 33829 OH2 TIP3 7276 88.022 81.233 -6.646 1.00 0.00 WT2 O ATOM 33830 H1 TIP3 7276 87.285 81.843 -6.619 1.00 0.00 WT2 H ATOM 33831 H2 TIP3 7276 87.783 80.598 -7.321 1.00 0.00 WT2 H ATOM 33832 OH2 TIP3 7287 77.595 10.961 -10.112 1.00 0.00 WT2 O ATOM 33833 H1 TIP3 7287 77.048 11.679 -10.431 1.00 0.00 WT2 H ATOM 33834 H2 TIP3 7287 78.376 11.390 -9.763 1.00 0.00 WT2 H ATOM 33835 OH2 TIP3 7291 86.401 25.972 4.904 1.00 0.00 WT2 O ATOM 33836 H1 TIP3 7291 86.261 25.380 5.642 1.00 0.00 WT2 H ATOM 33837 H2 TIP3 7291 86.616 25.396 4.171 1.00 0.00 WT2 H ATOM 33838 OH2 TIP3 7293 51.790 28.500 -13.831 1.00 0.00 WT2 O ATOM 33839 H1 TIP3 7293 52.146 29.180 -13.260 1.00 0.00 WT2 H ATOM 33840 H2 TIP3 7293 51.023 28.170 -13.363 1.00 0.00 WT2 H ATOM 33841 OH2 TIP3 7294 44.621 31.790 -18.179 1.00 0.00 WT2 O ATOM 33842 H1 TIP3 7294 44.014 31.124 -17.857 1.00 0.00 WT2 H ATOM 33843 H2 TIP3 7294 44.591 32.482 -17.518 1.00 0.00 WT2 H ATOM 33844 OH2 TIP3 7297 35.371 9.496 -10.650 1.00 0.00 WT2 O ATOM 33845 H1 TIP3 7297 35.682 8.769 -11.191 1.00 0.00 WT2 H ATOM 33846 H2 TIP3 7297 36.169 9.905 -10.316 1.00 0.00 WT2 H ATOM 33847 OH2 TIP3 7307 24.350 26.439 34.204 1.00 0.00 WT2 O ATOM 33848 H1 TIP3 7307 24.765 25.857 33.567 1.00 0.00 WT2 H ATOM 33849 H2 TIP3 7307 23.628 26.844 33.724 1.00 0.00 WT2 H ATOM 33850 OH2 TIP3 7310 71.715 26.378 47.233 1.00 0.00 WT2 O ATOM 33851 H1 TIP3 7310 71.799 26.528 46.292 1.00 0.00 WT2 H ATOM 33852 H2 TIP3 7310 71.688 25.425 47.323 1.00 0.00 WT2 H ATOM 33853 OH2 TIP3 7311 80.344 13.406 46.494 1.00 0.00 WT2 O ATOM 33854 H1 TIP3 7311 81.234 13.291 46.828 1.00 0.00 WT2 H ATOM 33855 H2 TIP3 7311 80.408 14.146 45.890 1.00 0.00 WT2 H ATOM 33856 OH2 TIP3 7312 42.763 38.846 51.705 1.00 0.00 WT2 O ATOM 33857 H1 TIP3 7312 42.837 38.691 50.764 1.00 0.00 WT2 H ATOM 33858 H2 TIP3 7312 43.329 39.600 51.869 1.00 0.00 WT2 H ATOM 33859 OH2 TIP3 7313 88.320 96.647 45.062 1.00 0.00 WT2 O ATOM 33860 H1 TIP3 7313 87.896 96.217 45.805 1.00 0.00 WT2 H ATOM 33861 H2 TIP3 7313 87.970 96.200 44.293 1.00 0.00 WT2 H ATOM 33862 OH2 TIP3 7314 29.758 14.483 -0.300 1.00 0.00 WT2 O ATOM 33863 H1 TIP3 7314 29.982 15.398 -0.469 1.00 0.00 WT2 H ATOM 33864 H2 TIP3 7314 30.388 13.982 -0.818 1.00 0.00 WT2 H ATOM 33865 OH2 TIP3 7315 77.041 61.263 28.879 1.00 0.00 WT2 O ATOM 33866 H1 TIP3 7315 76.638 61.741 29.603 1.00 0.00 WT2 H ATOM 33867 H2 TIP3 7315 76.327 61.124 28.256 1.00 0.00 WT2 H ATOM 33868 OH2 TIP3 7328 78.186 13.529 -1.045 1.00 0.00 WT2 O ATOM 33869 H1 TIP3 7328 77.289 13.433 -0.724 1.00 0.00 WT2 H ATOM 33870 H2 TIP3 7328 78.654 12.780 -0.678 1.00 0.00 WT2 H ATOM 33871 OH2 TIP3 7331 51.418 49.026 -20.058 1.00 0.00 WT2 O ATOM 33872 H1 TIP3 7331 50.565 49.433 -19.909 1.00 0.00 WT2 H ATOM 33873 H2 TIP3 7331 51.552 48.463 -19.296 1.00 0.00 WT2 H ATOM 33874 OH2 TIP3 7333 90.270 33.046 -11.306 1.00 0.00 WT2 O ATOM 33875 H1 TIP3 7333 90.586 32.276 -10.832 1.00 0.00 WT2 H ATOM 33876 H2 TIP3 7333 90.337 32.803 -12.230 1.00 0.00 WT2 H ATOM 33877 OH2 TIP3 7334 84.531 60.702 25.347 1.00 0.00 WT2 O ATOM 33878 H1 TIP3 7334 84.726 59.809 25.064 1.00 0.00 WT2 H ATOM 33879 H2 TIP3 7334 84.354 61.178 24.535 1.00 0.00 WT2 H ATOM 33880 OH2 TIP3 7335 45.956 35.169 64.286 1.00 0.00 WT2 O ATOM 33881 H1 TIP3 7335 46.856 35.388 64.528 1.00 0.00 WT2 H ATOM 33882 H2 TIP3 7335 45.546 34.898 65.108 1.00 0.00 WT2 H ATOM 33883 OH2 TIP3 7336 28.624 27.213 -9.805 1.00 0.00 WT2 O ATOM 33884 H1 TIP3 7336 27.692 27.423 -9.866 1.00 0.00 WT2 H ATOM 33885 H2 TIP3 7336 29.070 28.026 -10.041 1.00 0.00 WT2 H ATOM 33886 OH2 TIP3 7339 67.124 39.513 52.925 1.00 0.00 WT2 O ATOM 33887 H1 TIP3 7339 66.507 38.782 52.882 1.00 0.00 WT2 H ATOM 33888 H2 TIP3 7339 67.330 39.707 52.010 1.00 0.00 WT2 H ATOM 33889 OH2 TIP3 7351 71.504 27.879 62.097 1.00 0.00 WT2 O ATOM 33890 H1 TIP3 7351 72.126 27.445 61.513 1.00 0.00 WT2 H ATOM 33891 H2 TIP3 7351 71.725 28.809 62.035 1.00 0.00 WT2 H ATOM 33892 OH2 TIP3 7352 77.499 78.713 0.717 1.00 0.00 WT2 O ATOM 33893 H1 TIP3 7352 78.247 79.104 0.265 1.00 0.00 WT2 H ATOM 33894 H2 TIP3 7352 77.644 78.918 1.641 1.00 0.00 WT2 H ATOM 33895 OH2 TIP3 7353 38.871 94.913 57.291 1.00 0.00 WT2 O ATOM 33896 H1 TIP3 7353 39.711 95.008 56.842 1.00 0.00 WT2 H ATOM 33897 H2 TIP3 7353 38.240 94.754 56.589 1.00 0.00 WT2 H ATOM 33898 OH2 TIP3 7354 30.086 16.159 54.768 1.00 0.00 WT2 O ATOM 33899 H1 TIP3 7354 29.986 15.670 53.951 1.00 0.00 WT2 H ATOM 33900 H2 TIP3 7354 30.756 16.815 54.574 1.00 0.00 WT2 H ATOM 33901 OH2 TIP3 7355 88.845 9.259 48.319 1.00 0.00 WT2 O ATOM 33902 H1 TIP3 7355 89.055 9.043 47.410 1.00 0.00 WT2 H ATOM 33903 H2 TIP3 7355 89.383 10.026 48.513 1.00 0.00 WT2 H ATOM 33904 OH2 TIP3 7356 47.984 45.443 -11.704 1.00 0.00 WT2 O ATOM 33905 H1 TIP3 7356 47.884 44.905 -10.920 1.00 0.00 WT2 H ATOM 33906 H2 TIP3 7356 48.929 45.571 -11.789 1.00 0.00 WT2 H ATOM 33907 OH2 TIP3 7357 41.633 35.144 60.311 1.00 0.00 WT2 O ATOM 33908 H1 TIP3 7357 40.807 35.209 59.832 1.00 0.00 WT2 H ATOM 33909 H2 TIP3 7357 42.308 35.194 59.634 1.00 0.00 WT2 H ATOM 33910 OH2 TIP3 7359 44.524 60.338 -18.415 1.00 0.00 WT2 O ATOM 33911 H1 TIP3 7359 44.556 61.201 -18.826 1.00 0.00 WT2 H ATOM 33912 H2 TIP3 7359 45.382 59.953 -18.598 1.00 0.00 WT2 H ATOM 33913 OH2 TIP3 7370 23.113 41.596 -14.463 1.00 0.00 WT2 O ATOM 33914 H1 TIP3 7370 23.809 41.122 -14.920 1.00 0.00 WT2 H ATOM 33915 H2 TIP3 7370 23.245 41.382 -13.539 1.00 0.00 WT2 H ATOM 33916 OH2 TIP3 7371 88.257 22.465 -6.927 1.00 0.00 WT2 O ATOM 33917 H1 TIP3 7371 88.219 22.112 -6.038 1.00 0.00 WT2 H ATOM 33918 H2 TIP3 7371 88.983 23.087 -6.908 1.00 0.00 WT2 H ATOM 33919 OH2 TIP3 7374 22.905 60.283 63.163 1.00 0.00 WT2 O ATOM 33920 H1 TIP3 7374 22.175 60.737 63.583 1.00 0.00 WT2 H ATOM 33921 H2 TIP3 7374 22.571 60.039 62.300 1.00 0.00 WT2 H ATOM 33922 OH2 TIP3 7376 57.498 49.723 -3.935 1.00 0.00 WT2 O ATOM 33923 H1 TIP3 7376 57.165 50.557 -3.604 1.00 0.00 WT2 H ATOM 33924 H2 TIP3 7376 56.782 49.104 -3.792 1.00 0.00 WT2 H ATOM 33925 OH2 TIP3 7378 55.202 9.877 53.594 1.00 0.00 WT2 O ATOM 33926 H1 TIP3 7378 54.296 10.168 53.700 1.00 0.00 WT2 H ATOM 33927 H2 TIP3 7378 55.129 8.978 53.274 1.00 0.00 WT2 H ATOM 33928 OH2 TIP3 7379 51.312 23.596 48.358 1.00 0.00 WT2 O ATOM 33929 H1 TIP3 7379 51.390 24.523 48.131 1.00 0.00 WT2 H ATOM 33930 H2 TIP3 7379 50.410 23.369 48.133 1.00 0.00 WT2 H ATOM 33931 OH2 TIP3 7380 64.495 89.758 3.644 1.00 0.00 WT2 O ATOM 33932 H1 TIP3 7380 63.772 90.382 3.585 1.00 0.00 WT2 H ATOM 33933 H2 TIP3 7380 65.259 90.247 3.337 1.00 0.00 WT2 H ATOM 33934 OH2 TIP3 7382 90.063 77.015 66.740 1.00 0.00 WT2 O ATOM 33935 H1 TIP3 7382 90.241 76.808 67.658 1.00 0.00 WT2 H ATOM 33936 H2 TIP3 7382 90.382 76.254 66.256 1.00 0.00 WT2 H ATOM 33937 OH2 TIP3 7393 21.101 23.309 51.124 1.00 0.00 WT2 O ATOM 33938 H1 TIP3 7393 21.288 23.209 50.191 1.00 0.00 WT2 H ATOM 33939 H2 TIP3 7393 21.005 22.413 51.447 1.00 0.00 WT2 H ATOM 33940 OH2 TIP3 7394 26.697 66.187 -16.333 1.00 0.00 WT2 O ATOM 33941 H1 TIP3 7394 27.218 65.385 -16.379 1.00 0.00 WT2 H ATOM 33942 H2 TIP3 7394 25.819 65.889 -16.095 1.00 0.00 WT2 H ATOM 33943 OH2 TIP3 7395 43.704 35.549 3.345 1.00 0.00 WT2 O ATOM 33944 H1 TIP3 7395 43.086 36.066 3.862 1.00 0.00 WT2 H ATOM 33945 H2 TIP3 7395 44.561 35.760 3.715 1.00 0.00 WT2 H ATOM 33946 OH2 TIP3 7396 77.102 60.640 24.819 1.00 0.00 WT2 O ATOM 33947 H1 TIP3 7396 77.251 61.501 24.428 1.00 0.00 WT2 H ATOM 33948 H2 TIP3 7396 77.121 60.034 24.079 1.00 0.00 WT2 H ATOM 33949 OH2 TIP3 7397 42.806 40.718 54.583 1.00 0.00 WT2 O ATOM 33950 H1 TIP3 7397 42.295 41.443 54.224 1.00 0.00 WT2 H ATOM 33951 H2 TIP3 7397 43.715 41.009 54.514 1.00 0.00 WT2 H ATOM 33952 OH2 TIP3 7398 30.958 85.696 64.728 1.00 0.00 WT2 O ATOM 33953 H1 TIP3 7398 31.045 86.163 65.558 1.00 0.00 WT2 H ATOM 33954 H2 TIP3 7398 31.457 84.888 64.853 1.00 0.00 WT2 H ATOM 33955 OH2 TIP3 7399 61.997 63.880 53.175 1.00 0.00 WT2 O ATOM 33956 H1 TIP3 7399 61.866 62.959 53.400 1.00 0.00 WT2 H ATOM 33957 H2 TIP3 7399 61.271 64.090 52.588 1.00 0.00 WT2 H ATOM 33958 OH2 TIP3 7400 69.725 59.660 11.906 1.00 0.00 WT2 O ATOM 33959 H1 TIP3 7400 69.999 58.971 11.301 1.00 0.00 WT2 H ATOM 33960 H2 TIP3 7400 69.152 59.216 12.531 1.00 0.00 WT2 H ATOM 33961 OH2 TIP3 7415 88.129 82.337 -16.210 1.00 0.00 WT2 O ATOM 33962 H1 TIP3 7415 87.869 81.459 -15.933 1.00 0.00 WT2 H ATOM 33963 H2 TIP3 7415 88.265 82.816 -15.392 1.00 0.00 WT2 H ATOM 33964 OH2 TIP3 7416 78.373 14.468 63.856 1.00 0.00 WT2 O ATOM 33965 H1 TIP3 7416 78.548 13.799 63.195 1.00 0.00 WT2 H ATOM 33966 H2 TIP3 7416 78.824 14.155 64.640 1.00 0.00 WT2 H ATOM 33967 OH2 TIP3 7418 24.444 15.886 -16.279 1.00 0.00 WT2 O ATOM 33968 H1 TIP3 7418 24.159 16.533 -15.634 1.00 0.00 WT2 H ATOM 33969 H2 TIP3 7418 24.262 16.295 -17.126 1.00 0.00 WT2 H ATOM 33970 OH2 TIP3 7419 39.732 38.207 52.360 1.00 0.00 WT2 O ATOM 33971 H1 TIP3 7419 40.384 38.669 51.833 1.00 0.00 WT2 H ATOM 33972 H2 TIP3 7419 39.807 37.292 52.086 1.00 0.00 WT2 H ATOM 33973 OH2 TIP3 7420 65.487 30.992 48.321 1.00 0.00 WT2 O ATOM 33974 H1 TIP3 7420 64.717 30.517 48.009 1.00 0.00 WT2 H ATOM 33975 H2 TIP3 7420 65.762 31.521 47.572 1.00 0.00 WT2 H ATOM 33976 OH2 TIP3 7421 40.207 17.986 60.486 1.00 0.00 WT2 O ATOM 33977 H1 TIP3 7421 40.794 18.198 59.760 1.00 0.00 WT2 H ATOM 33978 H2 TIP3 7421 39.752 17.194 60.202 1.00 0.00 WT2 H ATOM 33979 OH2 TIP3 7422 32.386 17.231 59.468 1.00 0.00 WT2 O ATOM 33980 H1 TIP3 7422 32.863 16.901 60.229 1.00 0.00 WT2 H ATOM 33981 H2 TIP3 7422 32.036 16.447 59.045 1.00 0.00 WT2 H ATOM 33982 OH2 TIP3 7434 31.073 61.102 -6.834 1.00 0.00 WT2 O ATOM 33983 H1 TIP3 7434 30.425 61.688 -6.442 1.00 0.00 WT2 H ATOM 33984 H2 TIP3 7434 30.568 60.555 -7.437 1.00 0.00 WT2 H ATOM 33985 OH2 TIP3 7435 40.694 92.951 -7.807 1.00 0.00 WT2 O ATOM 33986 H1 TIP3 7435 40.172 93.589 -8.294 1.00 0.00 WT2 H ATOM 33987 H2 TIP3 7435 40.109 92.203 -7.689 1.00 0.00 WT2 H ATOM 33988 OH2 TIP3 7437 20.678 16.840 1.703 1.00 0.00 WT2 O ATOM 33989 H1 TIP3 7437 20.256 17.692 1.592 1.00 0.00 WT2 H ATOM 33990 H2 TIP3 7437 21.602 17.047 1.845 1.00 0.00 WT2 H ATOM 33991 OH2 TIP3 7438 47.596 23.389 33.212 1.00 0.00 WT2 O ATOM 33992 H1 TIP3 7438 48.273 23.415 32.536 1.00 0.00 WT2 H ATOM 33993 H2 TIP3 7438 46.841 23.820 32.812 1.00 0.00 WT2 H ATOM 33994 OH2 TIP3 7439 86.408 92.390 -13.112 1.00 0.00 WT2 O ATOM 33995 H1 TIP3 7439 86.439 92.230 -14.055 1.00 0.00 WT2 H ATOM 33996 H2 TIP3 7439 86.904 93.199 -12.990 1.00 0.00 WT2 H ATOM 33997 OH2 TIP3 7440 45.362 7.703 16.453 1.00 0.00 WT2 O ATOM 33998 H1 TIP3 7440 45.578 8.262 15.707 1.00 0.00 WT2 H ATOM 33999 H2 TIP3 7440 44.413 7.589 16.402 1.00 0.00 WT2 H ATOM 34000 OH2 TIP3 7441 38.273 26.698 32.890 1.00 0.00 WT2 O ATOM 34001 H1 TIP3 7441 38.841 26.811 33.652 1.00 0.00 WT2 H ATOM 34002 H2 TIP3 7441 38.633 25.937 32.433 1.00 0.00 WT2 H ATOM 34003 OH2 TIP3 7443 62.893 75.311 53.253 1.00 0.00 WT2 O ATOM 34004 H1 TIP3 7443 62.402 75.408 54.069 1.00 0.00 WT2 H ATOM 34005 H2 TIP3 7443 63.497 76.054 53.247 1.00 0.00 WT2 H ATOM 34006 OH2 TIP3 7454 87.794 61.119 46.981 1.00 0.00 WT2 O ATOM 34007 H1 TIP3 7454 88.573 60.754 46.560 1.00 0.00 WT2 H ATOM 34008 H2 TIP3 7454 87.439 60.396 47.498 1.00 0.00 WT2 H ATOM 34009 OH2 TIP3 7455 81.244 11.001 56.415 1.00 0.00 WT2 O ATOM 34010 H1 TIP3 7455 81.472 11.926 56.322 1.00 0.00 WT2 H ATOM 34011 H2 TIP3 7455 81.874 10.661 57.050 1.00 0.00 WT2 H ATOM 34012 OH2 TIP3 7457 82.314 60.548 18.449 1.00 0.00 WT2 O ATOM 34013 H1 TIP3 7457 81.975 60.558 19.344 1.00 0.00 WT2 H ATOM 34014 H2 TIP3 7457 81.709 61.103 17.957 1.00 0.00 WT2 H ATOM 34015 OH2 TIP3 7461 66.576 24.928 -2.694 1.00 0.00 WT2 O ATOM 34016 H1 TIP3 7461 67.519 24.765 -2.666 1.00 0.00 WT2 H ATOM 34017 H2 TIP3 7461 66.292 24.848 -1.783 1.00 0.00 WT2 H ATOM 34018 OH2 TIP3 7463 21.571 22.280 48.790 1.00 0.00 WT2 O ATOM 34019 H1 TIP3 7463 20.799 21.944 48.333 1.00 0.00 WT2 H ATOM 34020 H2 TIP3 7463 22.267 21.660 48.572 1.00 0.00 WT2 H ATOM 34021 OH2 TIP3 7475 27.718 67.736 34.608 1.00 0.00 WT2 O ATOM 34022 H1 TIP3 7475 28.522 67.801 34.093 1.00 0.00 WT2 H ATOM 34023 H2 TIP3 7475 27.038 68.097 34.039 1.00 0.00 WT2 H ATOM 34024 OH2 TIP3 7477 61.015 17.123 51.300 1.00 0.00 WT2 O ATOM 34025 H1 TIP3 7477 61.042 16.340 51.850 1.00 0.00 WT2 H ATOM 34026 H2 TIP3 7477 61.756 17.022 50.702 1.00 0.00 WT2 H ATOM 34027 OH2 TIP3 7479 27.333 54.555 33.842 1.00 0.00 WT2 O ATOM 34028 H1 TIP3 7479 26.738 53.866 33.546 1.00 0.00 WT2 H ATOM 34029 H2 TIP3 7479 27.230 55.254 33.197 1.00 0.00 WT2 H ATOM 34030 OH2 TIP3 7480 56.262 16.342 36.284 1.00 0.00 WT2 O ATOM 34031 H1 TIP3 7480 56.935 16.864 36.720 1.00 0.00 WT2 H ATOM 34032 H2 TIP3 7480 56.697 15.993 35.506 1.00 0.00 WT2 H ATOM 34033 OH2 TIP3 7481 90.455 65.276 -15.753 1.00 0.00 WT2 O ATOM 34034 H1 TIP3 7481 90.574 66.094 -15.270 1.00 0.00 WT2 H ATOM 34035 H2 TIP3 7481 89.887 65.511 -16.487 1.00 0.00 WT2 H ATOM 34036 OH2 TIP3 7489 27.313 75.234 -0.174 1.00 0.00 WT2 O ATOM 34037 H1 TIP3 7489 27.743 74.962 -0.985 1.00 0.00 WT2 H ATOM 34038 H2 TIP3 7489 28.031 75.361 0.446 1.00 0.00 WT2 H ATOM 34039 OH2 TIP3 7493 83.115 10.840 58.382 1.00 0.00 WT2 O ATOM 34040 H1 TIP3 7493 83.754 11.435 58.774 1.00 0.00 WT2 H ATOM 34041 H2 TIP3 7493 82.986 10.157 59.041 1.00 0.00 WT2 H ATOM 34042 OH2 TIP3 7496 88.345 79.886 -8.990 1.00 0.00 WT2 O ATOM 34043 H1 TIP3 7496 89.068 80.381 -9.375 1.00 0.00 WT2 H ATOM 34044 H2 TIP3 7496 88.623 78.972 -9.046 1.00 0.00 WT2 H ATOM 34045 OH2 TIP3 7498 64.001 22.921 34.014 1.00 0.00 WT2 O ATOM 34046 H1 TIP3 7498 64.628 22.874 34.736 1.00 0.00 WT2 H ATOM 34047 H2 TIP3 7498 64.318 23.642 33.469 1.00 0.00 WT2 H ATOM 34048 OH2 TIP3 7499 65.015 87.729 57.384 1.00 0.00 WT2 O ATOM 34049 H1 TIP3 7499 65.251 86.812 57.245 1.00 0.00 WT2 H ATOM 34050 H2 TIP3 7499 65.628 88.220 56.837 1.00 0.00 WT2 H ATOM 34051 OH2 TIP3 7500 80.830 88.640 63.612 1.00 0.00 WT2 O ATOM 34052 H1 TIP3 7500 80.800 88.216 62.754 1.00 0.00 WT2 H ATOM 34053 H2 TIP3 7500 80.116 89.277 63.590 1.00 0.00 WT2 H ATOM 34054 OH2 TIP3 7501 89.649 89.295 56.314 1.00 0.00 WT2 O ATOM 34055 H1 TIP3 7501 90.443 89.121 55.809 1.00 0.00 WT2 H ATOM 34056 H2 TIP3 7501 89.833 90.114 56.774 1.00 0.00 WT2 H ATOM 34057 OH2 TIP3 7502 23.885 67.326 -5.079 1.00 0.00 WT2 O ATOM 34058 H1 TIP3 7502 23.668 66.450 -5.399 1.00 0.00 WT2 H ATOM 34059 H2 TIP3 7502 23.127 67.862 -5.315 1.00 0.00 WT2 H ATOM 34060 OH2 TIP3 7503 40.026 24.027 -16.940 1.00 0.00 WT2 O ATOM 34061 H1 TIP3 7503 40.191 23.142 -17.265 1.00 0.00 WT2 H ATOM 34062 H2 TIP3 7503 39.481 23.899 -16.164 1.00 0.00 WT2 H ATOM 34063 OH2 TIP3 7504 86.041 24.035 -4.223 1.00 0.00 WT2 O ATOM 34064 H1 TIP3 7504 85.517 24.217 -3.442 1.00 0.00 WT2 H ATOM 34065 H2 TIP3 7504 85.559 23.346 -4.680 1.00 0.00 WT2 H ATOM 34066 OH2 TIP3 7510 56.028 36.681 6.300 1.00 0.00 WT2 O ATOM 34067 H1 TIP3 7510 56.316 37.593 6.318 1.00 0.00 WT2 H ATOM 34068 H2 TIP3 7510 55.405 36.612 7.024 1.00 0.00 WT2 H ATOM 34069 OH2 TIP3 7515 90.455 7.421 -3.270 1.00 0.00 WT2 O ATOM 34070 H1 TIP3 7515 91.169 8.044 -3.133 1.00 0.00 WT2 H ATOM 34071 H2 TIP3 7515 89.661 7.954 -3.234 1.00 0.00 WT2 H ATOM 34072 OH2 TIP3 7518 85.740 2.563 13.353 1.00 0.00 WT2 O ATOM 34073 H1 TIP3 7518 85.375 2.094 14.103 1.00 0.00 WT2 H ATOM 34074 H2 TIP3 7518 86.686 2.438 13.429 1.00 0.00 WT2 H ATOM 34075 OH2 TIP3 7519 24.138 32.968 41.931 1.00 0.00 WT2 O ATOM 34076 H1 TIP3 7519 24.238 32.161 41.426 1.00 0.00 WT2 H ATOM 34077 H2 TIP3 7519 23.641 32.705 42.706 1.00 0.00 WT2 H ATOM 34078 OH2 TIP3 7521 77.754 49.466 43.653 1.00 0.00 WT2 O ATOM 34079 H1 TIP3 7521 76.850 49.548 43.955 1.00 0.00 WT2 H ATOM 34080 H2 TIP3 7521 77.698 49.558 42.701 1.00 0.00 WT2 H ATOM 34081 OH2 TIP3 7522 36.925 81.984 -17.219 1.00 0.00 WT2 O ATOM 34082 H1 TIP3 7522 37.342 81.763 -16.386 1.00 0.00 WT2 H ATOM 34083 H2 TIP3 7522 37.576 81.754 -17.882 1.00 0.00 WT2 H ATOM 34084 OH2 TIP3 7523 71.322 9.467 57.060 1.00 0.00 WT2 O ATOM 34085 H1 TIP3 7523 70.598 9.883 56.593 1.00 0.00 WT2 H ATOM 34086 H2 TIP3 7523 70.935 9.165 57.882 1.00 0.00 WT2 H ATOM 34087 OH2 TIP3 7525 72.047 54.528 -15.974 1.00 0.00 WT2 O ATOM 34088 H1 TIP3 7525 71.502 53.985 -15.404 1.00 0.00 WT2 H ATOM 34089 H2 TIP3 7525 72.782 54.794 -15.422 1.00 0.00 WT2 H ATOM 34090 OH2 TIP3 7526 59.040 11.549 65.889 1.00 0.00 WT2 O ATOM 34091 H1 TIP3 7526 58.613 12.322 66.259 1.00 0.00 WT2 H ATOM 34092 H2 TIP3 7526 58.575 11.389 65.068 1.00 0.00 WT2 H ATOM 34093 OH2 TIP3 7541 59.420 78.135 -12.645 1.00 0.00 WT2 O ATOM 34094 H1 TIP3 7541 59.081 78.652 -11.914 1.00 0.00 WT2 H ATOM 34095 H2 TIP3 7541 60.326 77.945 -12.405 1.00 0.00 WT2 H ATOM 34096 OH2 TIP3 7543 86.351 68.151 41.534 1.00 0.00 WT2 O ATOM 34097 H1 TIP3 7543 86.489 68.046 40.593 1.00 0.00 WT2 H ATOM 34098 H2 TIP3 7543 85.800 67.408 41.781 1.00 0.00 WT2 H ATOM 34099 OH2 TIP3 7544 57.132 52.788 0.505 1.00 0.00 WT2 O ATOM 34100 H1 TIP3 7544 57.766 52.467 1.147 1.00 0.00 WT2 H ATOM 34101 H2 TIP3 7544 56.463 53.229 1.028 1.00 0.00 WT2 H ATOM 34102 OH2 TIP3 7545 68.747 41.158 20.313 1.00 0.00 WT2 O ATOM 34103 H1 TIP3 7545 67.908 40.706 20.399 1.00 0.00 WT2 H ATOM 34104 H2 TIP3 7545 68.536 42.082 20.442 1.00 0.00 WT2 H ATOM 34105 OH2 TIP3 7549 64.568 88.083 -2.091 1.00 0.00 WT2 O ATOM 34106 H1 TIP3 7549 64.846 87.435 -2.737 1.00 0.00 WT2 H ATOM 34107 H2 TIP3 7549 65.361 88.281 -1.593 1.00 0.00 WT2 H ATOM 34108 OH2 TIP3 7559 72.193 87.988 -2.484 1.00 0.00 WT2 O ATOM 34109 H1 TIP3 7559 72.922 87.558 -2.932 1.00 0.00 WT2 H ATOM 34110 H2 TIP3 7559 71.489 88.003 -3.131 1.00 0.00 WT2 H ATOM 34111 OH2 TIP3 7561 57.450 2.620 53.111 1.00 0.00 WT2 O ATOM 34112 H1 TIP3 7561 58.131 1.951 53.186 1.00 0.00 WT2 H ATOM 34113 H2 TIP3 7561 57.118 2.725 54.003 1.00 0.00 WT2 H ATOM 34114 OH2 TIP3 7563 82.257 5.240 54.399 1.00 0.00 WT2 O ATOM 34115 H1 TIP3 7563 82.752 5.924 53.946 1.00 0.00 WT2 H ATOM 34116 H2 TIP3 7563 82.034 5.627 55.246 1.00 0.00 WT2 H ATOM 34117 OH2 TIP3 7564 87.093 94.247 46.653 1.00 0.00 WT2 O ATOM 34118 H1 TIP3 7564 86.266 93.771 46.723 1.00 0.00 WT2 H ATOM 34119 H2 TIP3 7564 86.969 95.025 47.196 1.00 0.00 WT2 H ATOM 34120 OH2 TIP3 7565 48.283 82.949 47.741 1.00 0.00 WT2 O ATOM 34121 H1 TIP3 7565 49.176 83.267 47.875 1.00 0.00 WT2 H ATOM 34122 H2 TIP3 7565 48.060 82.507 48.560 1.00 0.00 WT2 H ATOM 34123 OH2 TIP3 7566 36.582 65.899 36.912 1.00 0.00 WT2 O ATOM 34124 H1 TIP3 7566 37.498 65.745 36.680 1.00 0.00 WT2 H ATOM 34125 H2 TIP3 7566 36.264 66.505 36.242 1.00 0.00 WT2 H ATOM 34126 OH2 TIP3 7567 40.096 7.448 -17.459 1.00 0.00 WT2 O ATOM 34127 H1 TIP3 7567 40.426 7.723 -18.314 1.00 0.00 WT2 H ATOM 34128 H2 TIP3 7567 39.623 6.634 -17.635 1.00 0.00 WT2 H ATOM 34129 OH2 TIP3 7582 46.362 25.869 64.241 1.00 0.00 WT2 O ATOM 34130 H1 TIP3 7582 46.479 26.488 64.962 1.00 0.00 WT2 H ATOM 34131 H2 TIP3 7582 46.681 26.337 63.469 1.00 0.00 WT2 H ATOM 34132 OH2 TIP3 7584 46.447 37.884 31.023 1.00 0.00 WT2 O ATOM 34133 H1 TIP3 7584 47.173 37.935 31.644 1.00 0.00 WT2 H ATOM 34134 H2 TIP3 7584 46.843 37.552 30.217 1.00 0.00 WT2 H ATOM 34135 OH2 TIP3 7586 73.746 85.015 -1.467 1.00 0.00 WT2 O ATOM 34136 H1 TIP3 7586 73.635 84.157 -1.877 1.00 0.00 WT2 H ATOM 34137 H2 TIP3 7586 72.993 85.524 -1.767 1.00 0.00 WT2 H ATOM 34138 OH2 TIP3 7587 65.477 49.827 -9.062 1.00 0.00 WT2 O ATOM 34139 H1 TIP3 7587 64.704 50.065 -8.550 1.00 0.00 WT2 H ATOM 34140 H2 TIP3 7587 66.169 50.402 -8.733 1.00 0.00 WT2 H ATOM 34141 OH2 TIP3 7594 29.895 35.057 3.505 1.00 0.00 WT2 O ATOM 34142 H1 TIP3 7594 30.225 35.478 2.711 1.00 0.00 WT2 H ATOM 34143 H2 TIP3 7594 30.027 35.708 4.194 1.00 0.00 WT2 H ATOM 34144 OH2 TIP3 7602 72.602 54.130 -2.892 1.00 0.00 WT2 O ATOM 34145 H1 TIP3 7602 73.192 54.877 -2.988 1.00 0.00 WT2 H ATOM 34146 H2 TIP3 7602 72.514 54.014 -1.946 1.00 0.00 WT2 H ATOM 34147 OH2 TIP3 7603 66.798 26.850 46.111 1.00 0.00 WT2 O ATOM 34148 H1 TIP3 7603 67.739 26.831 45.935 1.00 0.00 WT2 H ATOM 34149 H2 TIP3 7603 66.481 27.619 45.639 1.00 0.00 WT2 H ATOM 34150 OH2 TIP3 7605 87.182 18.231 60.775 1.00 0.00 WT2 O ATOM 34151 H1 TIP3 7605 87.653 18.265 59.942 1.00 0.00 WT2 H ATOM 34152 H2 TIP3 7605 86.285 18.483 60.554 1.00 0.00 WT2 H ATOM 34153 OH2 TIP3 7608 53.900 83.838 63.225 1.00 0.00 WT2 O ATOM 34154 H1 TIP3 7608 54.516 84.021 63.935 1.00 0.00 WT2 H ATOM 34155 H2 TIP3 7608 53.233 84.519 63.304 1.00 0.00 WT2 H ATOM 34156 OH2 TIP3 7612 73.561 73.310 43.985 1.00 0.00 WT2 O ATOM 34157 H1 TIP3 7612 74.480 73.569 43.915 1.00 0.00 WT2 H ATOM 34158 H2 TIP3 7612 73.532 72.425 43.623 1.00 0.00 WT2 H ATOM 34159 OH2 TIP3 7625 74.231 31.425 -0.971 1.00 0.00 WT2 O ATOM 34160 H1 TIP3 7625 74.277 31.052 -0.091 1.00 0.00 WT2 H ATOM 34161 H2 TIP3 7625 73.841 32.290 -0.844 1.00 0.00 WT2 H ATOM 34162 OH2 TIP3 7626 29.526 6.766 -6.528 1.00 0.00 WT2 O ATOM 34163 H1 TIP3 7626 28.981 6.271 -7.141 1.00 0.00 WT2 H ATOM 34164 H2 TIP3 7626 29.178 7.657 -6.564 1.00 0.00 WT2 H ATOM 34165 OH2 TIP3 7628 43.410 17.548 50.359 1.00 0.00 WT2 O ATOM 34166 H1 TIP3 7628 42.959 18.392 50.364 1.00 0.00 WT2 H ATOM 34167 H2 TIP3 7628 44.340 17.772 50.365 1.00 0.00 WT2 H ATOM 34168 OH2 TIP3 7630 36.461 93.539 16.534 1.00 0.00 WT2 O ATOM 34169 H1 TIP3 7630 36.264 93.893 17.401 1.00 0.00 WT2 H ATOM 34170 H2 TIP3 7630 36.543 94.310 15.973 1.00 0.00 WT2 H ATOM 34171 OH2 TIP3 7631 32.601 32.837 -14.968 1.00 0.00 WT2 O ATOM 34172 H1 TIP3 7631 33.536 32.988 -14.826 1.00 0.00 WT2 H ATOM 34173 H2 TIP3 7631 32.187 33.108 -14.148 1.00 0.00 WT2 H ATOM 34174 OH2 TIP3 7643 72.532 82.358 -13.548 1.00 0.00 WT2 O ATOM 34175 H1 TIP3 7643 72.741 82.068 -14.436 1.00 0.00 WT2 H ATOM 34176 H2 TIP3 7643 73.370 82.340 -13.086 1.00 0.00 WT2 H ATOM 34177 OH2 TIP3 7644 26.509 67.913 13.606 1.00 0.00 WT2 O ATOM 34178 H1 TIP3 7644 25.569 68.054 13.717 1.00 0.00 WT2 H ATOM 34179 H2 TIP3 7644 26.699 67.134 14.129 1.00 0.00 WT2 H ATOM 34180 OH2 TIP3 7645 74.460 22.165 60.974 1.00 0.00 WT2 O ATOM 34181 H1 TIP3 7645 75.083 22.684 60.466 1.00 0.00 WT2 H ATOM 34182 H2 TIP3 7645 74.124 22.771 61.634 1.00 0.00 WT2 H ATOM 34183 OH2 TIP3 7646 36.930 32.644 44.690 1.00 0.00 WT2 O ATOM 34184 H1 TIP3 7646 36.409 33.412 44.456 1.00 0.00 WT2 H ATOM 34185 H2 TIP3 7646 37.654 32.993 45.210 1.00 0.00 WT2 H ATOM 34186 OH2 TIP3 7647 36.954 28.851 47.383 1.00 0.00 WT2 O ATOM 34187 H1 TIP3 7647 36.732 29.754 47.610 1.00 0.00 WT2 H ATOM 34188 H2 TIP3 7647 37.657 28.932 46.738 1.00 0.00 WT2 H ATOM 34189 OH2 TIP3 7648 74.519 62.217 19.234 1.00 0.00 WT2 O ATOM 34190 H1 TIP3 7648 73.913 62.932 19.035 1.00 0.00 WT2 H ATOM 34191 H2 TIP3 7648 73.961 61.515 19.567 1.00 0.00 WT2 H ATOM 34192 OH2 TIP3 7649 43.386 5.038 64.723 1.00 0.00 WT2 O ATOM 34193 H1 TIP3 7649 43.890 4.241 64.887 1.00 0.00 WT2 H ATOM 34194 H2 TIP3 7649 43.394 5.135 63.770 1.00 0.00 WT2 H ATOM 34195 OH2 TIP3 7650 37.592 25.766 65.655 1.00 0.00 WT2 O ATOM 34196 H1 TIP3 7650 38.148 26.451 65.285 1.00 0.00 WT2 H ATOM 34197 H2 TIP3 7650 38.124 25.372 66.347 1.00 0.00 WT2 H ATOM 34198 OH2 TIP3 7652 37.189 94.236 23.926 1.00 0.00 WT2 O ATOM 34199 H1 TIP3 7652 36.388 94.350 23.414 1.00 0.00 WT2 H ATOM 34200 H2 TIP3 7652 36.903 93.791 24.723 1.00 0.00 WT2 H ATOM 34201 OH2 TIP3 7653 57.627 36.003 -5.850 1.00 0.00 WT2 O ATOM 34202 H1 TIP3 7653 57.210 36.059 -4.991 1.00 0.00 WT2 H ATOM 34203 H2 TIP3 7653 57.812 36.912 -6.087 1.00 0.00 WT2 H ATOM 34204 OH2 TIP3 7663 79.423 33.596 42.461 1.00 0.00 WT2 O ATOM 34205 H1 TIP3 7663 79.781 32.941 41.861 1.00 0.00 WT2 H ATOM 34206 H2 TIP3 7663 80.078 33.670 43.154 1.00 0.00 WT2 H ATOM 34207 OH2 TIP3 7668 37.952 36.259 19.536 1.00 0.00 WT2 O ATOM 34208 H1 TIP3 7668 38.113 36.735 20.351 1.00 0.00 WT2 H ATOM 34209 H2 TIP3 7668 38.799 36.253 19.090 1.00 0.00 WT2 H ATOM 34210 OH2 TIP3 7669 88.037 70.724 25.133 1.00 0.00 WT2 O ATOM 34211 H1 TIP3 7669 87.153 70.962 24.852 1.00 0.00 WT2 H ATOM 34212 H2 TIP3 7669 87.903 70.174 25.904 1.00 0.00 WT2 H ATOM 34213 OH2 TIP3 7670 66.210 91.191 59.122 1.00 0.00 WT2 O ATOM 34214 H1 TIP3 7670 66.688 90.362 59.089 1.00 0.00 WT2 H ATOM 34215 H2 TIP3 7670 65.294 90.945 58.987 1.00 0.00 WT2 H ATOM 34216 OH2 TIP3 7673 75.441 41.321 55.730 1.00 0.00 WT2 O ATOM 34217 H1 TIP3 7673 75.848 40.988 54.931 1.00 0.00 WT2 H ATOM 34218 H2 TIP3 7673 74.505 41.166 55.605 1.00 0.00 WT2 H ATOM 34219 OH2 TIP3 7686 48.762 54.297 60.623 1.00 0.00 WT2 O ATOM 34220 H1 TIP3 7686 48.440 53.828 61.393 1.00 0.00 WT2 H ATOM 34221 H2 TIP3 7686 48.948 53.609 59.984 1.00 0.00 WT2 H ATOM 34222 OH2 TIP3 7688 74.699 6.667 -9.216 1.00 0.00 WT2 O ATOM 34223 H1 TIP3 7688 75.510 6.498 -8.736 1.00 0.00 WT2 H ATOM 34224 H2 TIP3 7688 74.016 6.651 -8.545 1.00 0.00 WT2 H ATOM 34225 OH2 TIP3 7689 45.951 0.328 -10.727 1.00 0.00 WT2 O ATOM 34226 H1 TIP3 7689 45.739 0.860 -9.960 1.00 0.00 WT2 H ATOM 34227 H2 TIP3 7689 45.217 0.465 -11.325 1.00 0.00 WT2 H ATOM 34228 OH2 TIP3 7690 63.740 36.826 54.260 1.00 0.00 WT2 O ATOM 34229 H1 TIP3 7690 63.133 37.432 54.685 1.00 0.00 WT2 H ATOM 34230 H2 TIP3 7690 64.015 36.232 54.958 1.00 0.00 WT2 H ATOM 34231 OH2 TIP3 7691 30.314 45.182 6.969 1.00 0.00 WT2 O ATOM 34232 H1 TIP3 7691 31.161 45.377 6.567 1.00 0.00 WT2 H ATOM 34233 H2 TIP3 7691 30.331 45.651 7.803 1.00 0.00 WT2 H ATOM 34234 OH2 TIP3 7692 43.500 86.411 46.694 1.00 0.00 WT2 O ATOM 34235 H1 TIP3 7692 44.211 87.023 46.882 1.00 0.00 WT2 H ATOM 34236 H2 TIP3 7692 43.391 85.913 47.504 1.00 0.00 WT2 H ATOM 34237 OH2 TIP3 7694 33.950 39.582 57.011 1.00 0.00 WT2 O ATOM 34238 H1 TIP3 7694 33.211 39.623 57.618 1.00 0.00 WT2 H ATOM 34239 H2 TIP3 7694 33.624 39.071 56.270 1.00 0.00 WT2 H ATOM 34240 OH2 TIP3 7695 33.483 39.804 37.438 1.00 0.00 WT2 O ATOM 34241 H1 TIP3 7695 33.941 38.973 37.564 1.00 0.00 WT2 H ATOM 34242 H2 TIP3 7695 34.179 40.437 37.260 1.00 0.00 WT2 H ATOM 34243 OH2 TIP3 7696 73.031 55.445 43.313 1.00 0.00 WT2 O ATOM 34244 H1 TIP3 7696 72.831 55.120 42.435 1.00 0.00 WT2 H ATOM 34245 H2 TIP3 7696 73.903 55.098 43.504 1.00 0.00 WT2 H ATOM 34246 OH2 TIP3 7698 87.833 31.364 52.011 1.00 0.00 WT2 O ATOM 34247 H1 TIP3 7698 88.227 31.046 51.199 1.00 0.00 WT2 H ATOM 34248 H2 TIP3 7698 87.589 32.270 51.821 1.00 0.00 WT2 H ATOM 34249 OH2 TIP3 7705 83.470 0.917 46.191 1.00 0.00 WT2 O ATOM 34250 H1 TIP3 7705 82.539 0.719 46.089 1.00 0.00 WT2 H ATOM 34251 H2 TIP3 7705 83.765 1.149 45.311 1.00 0.00 WT2 H ATOM 34252 OH2 TIP3 7707 61.122 69.658 52.518 1.00 0.00 WT2 O ATOM 34253 H1 TIP3 7707 61.625 69.844 51.726 1.00 0.00 WT2 H ATOM 34254 H2 TIP3 7707 60.839 68.749 52.414 1.00 0.00 WT2 H ATOM 34255 OH2 TIP3 7708 34.810 57.963 27.277 1.00 0.00 WT2 O ATOM 34256 H1 TIP3 7708 35.604 57.441 27.393 1.00 0.00 WT2 H ATOM 34257 H2 TIP3 7708 34.891 58.331 26.397 1.00 0.00 WT2 H ATOM 34258 OH2 TIP3 7710 89.113 89.038 49.132 1.00 0.00 WT2 O ATOM 34259 H1 TIP3 7710 88.886 88.253 49.630 1.00 0.00 WT2 H ATOM 34260 H2 TIP3 7710 89.171 88.739 48.225 1.00 0.00 WT2 H ATOM 34261 OH2 TIP3 7711 87.744 48.528 53.518 1.00 0.00 WT2 O ATOM 34262 H1 TIP3 7711 88.124 49.210 54.072 1.00 0.00 WT2 H ATOM 34263 H2 TIP3 7711 86.802 48.588 53.675 1.00 0.00 WT2 H ATOM 34264 OH2 TIP3 7712 36.149 33.302 1.512 1.00 0.00 WT2 O ATOM 34265 H1 TIP3 7712 36.021 34.226 1.729 1.00 0.00 WT2 H ATOM 34266 H2 TIP3 7712 35.459 33.107 0.878 1.00 0.00 WT2 H ATOM 34267 OH2 TIP3 7713 73.498 28.097 56.900 1.00 0.00 WT2 O ATOM 34268 H1 TIP3 7713 74.288 27.629 57.172 1.00 0.00 WT2 H ATOM 34269 H2 TIP3 7713 73.592 28.195 55.953 1.00 0.00 WT2 H ATOM 34270 OH2 TIP3 7716 25.702 25.246 -16.065 1.00 0.00 WT2 O ATOM 34271 H1 TIP3 7716 25.605 26.155 -16.350 1.00 0.00 WT2 H ATOM 34272 H2 TIP3 7716 25.255 25.211 -15.219 1.00 0.00 WT2 H ATOM 34273 OH2 TIP3 7718 89.499 59.892 57.975 1.00 0.00 WT2 O ATOM 34274 H1 TIP3 7718 90.390 60.122 58.241 1.00 0.00 WT2 H ATOM 34275 H2 TIP3 7718 89.179 60.665 57.511 1.00 0.00 WT2 H ATOM 34276 OH2 TIP3 7730 35.185 4.674 -15.232 1.00 0.00 WT2 O ATOM 34277 H1 TIP3 7730 34.618 5.445 -15.259 1.00 0.00 WT2 H ATOM 34278 H2 TIP3 7730 34.581 3.934 -15.174 1.00 0.00 WT2 H ATOM 34279 OH2 TIP3 7731 61.475 43.743 43.124 1.00 0.00 WT2 O ATOM 34280 H1 TIP3 7731 62.124 44.332 43.509 1.00 0.00 WT2 H ATOM 34281 H2 TIP3 7731 61.497 43.941 42.188 1.00 0.00 WT2 H ATOM 34282 OH2 TIP3 7734 87.225 21.110 54.230 1.00 0.00 WT2 O ATOM 34283 H1 TIP3 7734 87.790 21.870 54.369 1.00 0.00 WT2 H ATOM 34284 H2 TIP3 7734 86.403 21.338 54.663 1.00 0.00 WT2 H ATOM 34285 OH2 TIP3 7735 58.837 2.552 27.690 1.00 0.00 WT2 O ATOM 34286 H1 TIP3 7735 58.347 2.623 28.508 1.00 0.00 WT2 H ATOM 34287 H2 TIP3 7735 58.236 2.117 27.086 1.00 0.00 WT2 H ATOM 34288 OH2 TIP3 7736 30.565 22.064 3.229 1.00 0.00 WT2 O ATOM 34289 H1 TIP3 7736 31.352 22.605 3.159 1.00 0.00 WT2 H ATOM 34290 H2 TIP3 7736 30.758 21.453 3.941 1.00 0.00 WT2 H ATOM 34291 OH2 TIP3 7737 80.739 41.888 46.970 1.00 0.00 WT2 O ATOM 34292 H1 TIP3 7737 80.660 42.818 47.181 1.00 0.00 WT2 H ATOM 34293 H2 TIP3 7737 79.870 41.527 47.145 1.00 0.00 WT2 H ATOM 34294 OH2 TIP3 7748 70.311 23.211 -12.529 1.00 0.00 WT2 O ATOM 34295 H1 TIP3 7748 69.487 23.696 -12.492 1.00 0.00 WT2 H ATOM 34296 H2 TIP3 7748 70.951 23.849 -12.847 1.00 0.00 WT2 H ATOM 34297 OH2 TIP3 7750 20.606 57.113 7.849 1.00 0.00 WT2 O ATOM 34298 H1 TIP3 7750 19.949 57.284 7.174 1.00 0.00 WT2 H ATOM 34299 H2 TIP3 7750 21.369 56.796 7.367 1.00 0.00 WT2 H ATOM 34300 OH2 TIP3 7751 37.883 73.866 17.513 1.00 0.00 WT2 O ATOM 34301 H1 TIP3 7751 37.421 73.206 18.030 1.00 0.00 WT2 H ATOM 34302 H2 TIP3 7751 38.615 74.136 18.067 1.00 0.00 WT2 H ATOM 34303 OH2 TIP3 7752 75.939 83.882 -6.019 1.00 0.00 WT2 O ATOM 34304 H1 TIP3 7752 75.232 84.527 -6.006 1.00 0.00 WT2 H ATOM 34305 H2 TIP3 7752 75.743 83.296 -5.288 1.00 0.00 WT2 H ATOM 34306 OH2 TIP3 7753 77.934 28.536 63.819 1.00 0.00 WT2 O ATOM 34307 H1 TIP3 7753 77.845 28.151 64.692 1.00 0.00 WT2 H ATOM 34308 H2 TIP3 7753 77.725 29.462 63.943 1.00 0.00 WT2 H ATOM 34309 OH2 TIP3 7754 89.516 47.415 -15.518 1.00 0.00 WT2 O ATOM 34310 H1 TIP3 7754 89.942 46.874 -16.183 1.00 0.00 WT2 H ATOM 34311 H2 TIP3 7754 89.022 46.794 -14.984 1.00 0.00 WT2 H ATOM 34312 OH2 TIP3 7755 56.832 19.056 64.403 1.00 0.00 WT2 O ATOM 34313 H1 TIP3 7755 56.686 19.882 64.865 1.00 0.00 WT2 H ATOM 34314 H2 TIP3 7755 56.441 19.192 63.540 1.00 0.00 WT2 H ATOM 34315 OH2 TIP3 7757 67.928 24.150 12.704 1.00 0.00 WT2 O ATOM 34316 H1 TIP3 7757 67.634 23.272 12.461 1.00 0.00 WT2 H ATOM 34317 H2 TIP3 7757 67.946 24.140 13.661 1.00 0.00 WT2 H ATOM 34318 OH2 TIP3 7772 41.724 49.533 66.482 1.00 0.00 WT2 O ATOM 34319 H1 TIP3 7772 40.901 49.957 66.723 1.00 0.00 WT2 H ATOM 34320 H2 TIP3 7772 42.349 50.254 66.399 1.00 0.00 WT2 H ATOM 34321 OH2 TIP3 7773 70.778 8.910 5.723 1.00 0.00 WT2 O ATOM 34322 H1 TIP3 7773 70.785 9.169 6.644 1.00 0.00 WT2 H ATOM 34323 H2 TIP3 7773 71.363 8.154 5.681 1.00 0.00 WT2 H ATOM 34324 OH2 TIP3 7774 26.294 48.718 -14.108 1.00 0.00 WT2 O ATOM 34325 H1 TIP3 7774 26.408 49.442 -14.723 1.00 0.00 WT2 H ATOM 34326 H2 TIP3 7774 26.832 48.958 -13.353 1.00 0.00 WT2 H ATOM 34327 OH2 TIP3 7776 75.366 74.943 -14.712 1.00 0.00 WT2 O ATOM 34328 H1 TIP3 7776 74.411 74.886 -14.745 1.00 0.00 WT2 H ATOM 34329 H2 TIP3 7776 75.560 75.176 -13.804 1.00 0.00 WT2 H ATOM 34330 OH2 TIP3 7780 72.045 36.304 63.188 1.00 0.00 WT2 O ATOM 34331 H1 TIP3 7780 71.577 37.111 63.401 1.00 0.00 WT2 H ATOM 34332 H2 TIP3 7780 71.967 36.224 62.238 1.00 0.00 WT2 H ATOM 34333 OH2 TIP3 7791 29.067 89.104 13.434 1.00 0.00 WT2 O ATOM 34334 H1 TIP3 7791 29.634 89.876 13.419 1.00 0.00 WT2 H ATOM 34335 H2 TIP3 7791 29.047 88.839 14.353 1.00 0.00 WT2 H ATOM 34336 OH2 TIP3 7793 68.238 65.134 47.318 1.00 0.00 WT2 O ATOM 34337 H1 TIP3 7793 68.879 65.251 46.616 1.00 0.00 WT2 H ATOM 34338 H2 TIP3 7793 67.441 65.546 46.985 1.00 0.00 WT2 H ATOM 34339 OH2 TIP3 7795 78.140 68.376 31.965 1.00 0.00 WT2 O ATOM 34340 H1 TIP3 7795 78.459 67.484 32.102 1.00 0.00 WT2 H ATOM 34341 H2 TIP3 7795 77.328 68.268 31.471 1.00 0.00 WT2 H ATOM 34342 OH2 TIP3 7796 60.462 67.538 32.788 1.00 0.00 WT2 O ATOM 34343 H1 TIP3 7796 60.173 67.224 31.932 1.00 0.00 WT2 H ATOM 34344 H2 TIP3 7796 59.766 67.273 33.389 1.00 0.00 WT2 H ATOM 34345 OH2 TIP3 7797 88.164 9.436 -11.027 1.00 0.00 WT2 O ATOM 34346 H1 TIP3 7797 87.272 9.093 -11.067 1.00 0.00 WT2 H ATOM 34347 H2 TIP3 7797 88.708 8.669 -10.850 1.00 0.00 WT2 H ATOM 34348 OH2 TIP3 7798 39.685 41.898 59.170 1.00 0.00 WT2 O ATOM 34349 H1 TIP3 7798 39.851 41.315 58.430 1.00 0.00 WT2 H ATOM 34350 H2 TIP3 7798 40.275 41.588 59.857 1.00 0.00 WT2 H ATOM 34351 OH2 TIP3 7799 48.272 49.959 62.121 1.00 0.00 WT2 O ATOM 34352 H1 TIP3 7799 48.363 50.912 62.106 1.00 0.00 WT2 H ATOM 34353 H2 TIP3 7799 49.025 49.638 61.626 1.00 0.00 WT2 H ATOM 34354 OH2 TIP3 7806 58.510 10.792 34.213 1.00 0.00 WT2 O ATOM 34355 H1 TIP3 7806 58.602 11.489 34.863 1.00 0.00 WT2 H ATOM 34356 H2 TIP3 7806 59.001 11.105 33.454 1.00 0.00 WT2 H ATOM 34357 OH2 TIP3 7811 52.793 78.513 38.422 1.00 0.00 WT2 O ATOM 34358 H1 TIP3 7811 52.529 78.796 37.547 1.00 0.00 WT2 H ATOM 34359 H2 TIP3 7811 53.746 78.441 38.374 1.00 0.00 WT2 H ATOM 34360 OH2 TIP3 7813 36.529 42.314 -16.700 1.00 0.00 WT2 O ATOM 34361 H1 TIP3 7813 35.852 42.924 -16.994 1.00 0.00 WT2 H ATOM 34362 H2 TIP3 7813 37.058 42.821 -16.084 1.00 0.00 WT2 H ATOM 34363 OH2 TIP3 7815 90.019 40.068 46.779 1.00 0.00 WT2 O ATOM 34364 H1 TIP3 7815 89.099 40.318 46.694 1.00 0.00 WT2 H ATOM 34365 H2 TIP3 7815 90.095 39.735 47.673 1.00 0.00 WT2 H ATOM 34366 OH2 TIP3 7816 62.616 87.308 33.126 1.00 0.00 WT2 O ATOM 34367 H1 TIP3 7816 61.880 86.703 33.035 1.00 0.00 WT2 H ATOM 34368 H2 TIP3 7816 62.389 88.048 32.562 1.00 0.00 WT2 H ATOM 34369 OH2 TIP3 7817 60.795 76.014 60.345 1.00 0.00 WT2 O ATOM 34370 H1 TIP3 7817 60.644 75.435 59.598 1.00 0.00 WT2 H ATOM 34371 H2 TIP3 7817 60.365 76.834 60.104 1.00 0.00 WT2 H ATOM 34372 OH2 TIP3 7818 21.420 87.863 45.113 1.00 0.00 WT2 O ATOM 34373 H1 TIP3 7818 21.079 87.669 44.239 1.00 0.00 WT2 H ATOM 34374 H2 TIP3 7818 22.244 87.378 45.162 1.00 0.00 WT2 H ATOM 34375 OH2 TIP3 7820 69.863 7.770 36.717 1.00 0.00 WT2 O ATOM 34376 H1 TIP3 7820 70.334 7.037 37.114 1.00 0.00 WT2 H ATOM 34377 H2 TIP3 7820 70.531 8.445 36.592 1.00 0.00 WT2 H ATOM 34378 OH2 TIP3 7833 28.714 55.125 -16.968 1.00 0.00 WT2 O ATOM 34379 H1 TIP3 7833 29.166 55.725 -16.375 1.00 0.00 WT2 H ATOM 34380 H2 TIP3 7833 27.880 55.555 -17.155 1.00 0.00 WT2 H ATOM 34381 OH2 TIP3 7835 68.205 89.999 23.038 1.00 0.00 WT2 O ATOM 34382 H1 TIP3 7835 68.991 90.280 22.568 1.00 0.00 WT2 H ATOM 34383 H2 TIP3 7835 67.593 89.741 22.349 1.00 0.00 WT2 H ATOM 34384 OH2 TIP3 7836 71.071 51.463 29.039 1.00 0.00 WT2 O ATOM 34385 H1 TIP3 7836 70.360 51.176 29.612 1.00 0.00 WT2 H ATOM 34386 H2 TIP3 7836 70.682 51.479 28.164 1.00 0.00 WT2 H ATOM 34387 OH2 TIP3 7837 54.310 63.056 61.450 1.00 0.00 WT2 O ATOM 34388 H1 TIP3 7837 54.423 62.507 62.226 1.00 0.00 WT2 H ATOM 34389 H2 TIP3 7837 53.841 63.827 61.768 1.00 0.00 WT2 H ATOM 34390 OH2 TIP3 7838 80.723 48.365 57.202 1.00 0.00 WT2 O ATOM 34391 H1 TIP3 7838 81.514 47.832 57.128 1.00 0.00 WT2 H ATOM 34392 H2 TIP3 7838 80.867 48.902 57.981 1.00 0.00 WT2 H ATOM 34393 OH2 TIP3 7839 74.566 52.466 -8.028 1.00 0.00 WT2 O ATOM 34394 H1 TIP3 7839 75.158 53.101 -7.626 1.00 0.00 WT2 H ATOM 34395 H2 TIP3 7839 74.017 52.158 -7.307 1.00 0.00 WT2 H ATOM 34396 OH2 TIP3 7840 35.569 5.796 32.927 1.00 0.00 WT2 O ATOM 34397 H1 TIP3 7840 35.038 5.886 32.136 1.00 0.00 WT2 H ATOM 34398 H2 TIP3 7840 35.004 6.113 33.632 1.00 0.00 WT2 H ATOM 34399 OH2 TIP3 7842 76.680 48.869 -18.221 1.00 0.00 WT2 O ATOM 34400 H1 TIP3 7842 76.106 48.342 -17.665 1.00 0.00 WT2 H ATOM 34401 H2 TIP3 7842 76.109 49.192 -18.918 1.00 0.00 WT2 H ATOM 34402 OH2 TIP3 7853 20.581 9.694 65.178 1.00 0.00 WT2 O ATOM 34403 H1 TIP3 7853 20.894 10.312 65.839 1.00 0.00 WT2 H ATOM 34404 H2 TIP3 7853 21.192 9.795 64.448 1.00 0.00 WT2 H ATOM 34405 OH2 TIP3 7854 22.168 27.643 3.582 1.00 0.00 WT2 O ATOM 34406 H1 TIP3 7854 22.112 27.138 4.394 1.00 0.00 WT2 H ATOM 34407 H2 TIP3 7854 22.847 28.295 3.751 1.00 0.00 WT2 H ATOM 34408 OH2 TIP3 7856 71.914 61.329 40.718 1.00 0.00 WT2 O ATOM 34409 H1 TIP3 7856 71.877 60.479 40.279 1.00 0.00 WT2 H ATOM 34410 H2 TIP3 7856 71.183 61.822 40.347 1.00 0.00 WT2 H ATOM 34411 OH2 TIP3 7858 40.762 71.886 55.644 1.00 0.00 WT2 O ATOM 34412 H1 TIP3 7858 41.459 71.692 55.016 1.00 0.00 WT2 H ATOM 34413 H2 TIP3 7858 40.596 71.052 56.083 1.00 0.00 WT2 H ATOM 34414 OH2 TIP3 7859 34.160 42.044 53.289 1.00 0.00 WT2 O ATOM 34415 H1 TIP3 7859 33.723 42.880 53.450 1.00 0.00 WT2 H ATOM 34416 H2 TIP3 7859 34.620 42.170 52.460 1.00 0.00 WT2 H ATOM 34417 OH2 TIP3 7861 76.654 48.314 65.136 1.00 0.00 WT2 O ATOM 34418 H1 TIP3 7861 76.942 47.947 64.300 1.00 0.00 WT2 H ATOM 34419 H2 TIP3 7861 76.567 49.253 64.968 1.00 0.00 WT2 H ATOM 34420 OH2 TIP3 7864 44.447 0.622 19.443 1.00 0.00 WT2 O ATOM 34421 H1 TIP3 7864 44.834 -0.241 19.299 1.00 0.00 WT2 H ATOM 34422 H2 TIP3 7864 44.625 0.814 20.364 1.00 0.00 WT2 H ATOM 34423 OH2 TIP3 7865 76.402 3.603 59.021 1.00 0.00 WT2 O ATOM 34424 H1 TIP3 7865 76.589 2.695 58.780 1.00 0.00 WT2 H ATOM 34425 H2 TIP3 7865 77.216 4.072 58.835 1.00 0.00 WT2 H ATOM 34426 OH2 TIP3 7872 86.499 68.219 58.689 1.00 0.00 WT2 O ATOM 34427 H1 TIP3 7872 85.966 67.844 57.988 1.00 0.00 WT2 H ATOM 34428 H2 TIP3 7872 85.922 68.852 59.116 1.00 0.00 WT2 H ATOM 34429 OH2 TIP3 7875 46.332 63.376 57.554 1.00 0.00 WT2 O ATOM 34430 H1 TIP3 7875 46.810 63.991 56.998 1.00 0.00 WT2 H ATOM 34431 H2 TIP3 7875 46.363 63.768 58.427 1.00 0.00 WT2 H ATOM 34432 OH2 TIP3 7878 29.966 95.706 46.286 1.00 0.00 WT2 O ATOM 34433 H1 TIP3 7878 30.020 96.564 46.707 1.00 0.00 WT2 H ATOM 34434 H2 TIP3 7878 30.443 95.120 46.873 1.00 0.00 WT2 H ATOM 34435 OH2 TIP3 7880 73.289 83.655 41.458 1.00 0.00 WT2 O ATOM 34436 H1 TIP3 7880 72.352 83.786 41.600 1.00 0.00 WT2 H ATOM 34437 H2 TIP3 7880 73.688 83.829 42.310 1.00 0.00 WT2 H ATOM 34438 OH2 TIP3 7882 72.214 37.479 60.464 1.00 0.00 WT2 O ATOM 34439 H1 TIP3 7882 71.288 37.531 60.228 1.00 0.00 WT2 H ATOM 34440 H2 TIP3 7882 72.580 36.834 59.860 1.00 0.00 WT2 H ATOM 34441 OH2 TIP3 7884 61.216 56.996 -19.667 1.00 0.00 WT2 O ATOM 34442 H1 TIP3 7884 61.386 56.810 -18.744 1.00 0.00 WT2 H ATOM 34443 H2 TIP3 7884 61.309 57.946 -19.742 1.00 0.00 WT2 H ATOM 34444 OH2 TIP3 7895 40.751 68.720 16.044 1.00 0.00 WT2 O ATOM 34445 H1 TIP3 7895 40.983 68.071 16.709 1.00 0.00 WT2 H ATOM 34446 H2 TIP3 7895 39.871 68.472 15.763 1.00 0.00 WT2 H ATOM 34447 OH2 TIP3 7899 62.941 47.390 -18.252 1.00 0.00 WT2 O ATOM 34448 H1 TIP3 7899 63.362 47.828 -17.513 1.00 0.00 WT2 H ATOM 34449 H2 TIP3 7899 62.074 47.148 -17.926 1.00 0.00 WT2 H ATOM 34450 OH2 TIP3 7900 60.468 22.777 65.226 1.00 0.00 WT2 O ATOM 34451 H1 TIP3 7900 60.124 23.540 65.691 1.00 0.00 WT2 H ATOM 34452 H2 TIP3 7900 60.661 22.142 65.915 1.00 0.00 WT2 H ATOM 34453 OH2 TIP3 7905 66.456 52.976 -13.394 1.00 0.00 WT2 O ATOM 34454 H1 TIP3 7905 66.401 53.440 -12.559 1.00 0.00 WT2 H ATOM 34455 H2 TIP3 7905 66.461 53.669 -14.054 1.00 0.00 WT2 H ATOM 34456 OH2 TIP3 7919 75.581 77.765 48.541 1.00 0.00 WT2 O ATOM 34457 H1 TIP3 7919 76.185 77.959 47.825 1.00 0.00 WT2 H ATOM 34458 H2 TIP3 7919 75.149 78.599 48.724 1.00 0.00 WT2 H ATOM 34459 OH2 TIP3 7920 38.274 41.131 16.901 1.00 0.00 WT2 O ATOM 34460 H1 TIP3 7920 38.167 40.623 17.705 1.00 0.00 WT2 H ATOM 34461 H2 TIP3 7920 39.213 41.309 16.853 1.00 0.00 WT2 H ATOM 34462 OH2 TIP3 7921 67.334 25.845 56.515 1.00 0.00 WT2 O ATOM 34463 H1 TIP3 7921 67.828 25.677 55.712 1.00 0.00 WT2 H ATOM 34464 H2 TIP3 7921 67.638 25.176 57.128 1.00 0.00 WT2 H ATOM 34465 OH2 TIP3 7922 24.152 88.810 31.343 1.00 0.00 WT2 O ATOM 34466 H1 TIP3 7922 24.511 87.963 31.606 1.00 0.00 WT2 H ATOM 34467 H2 TIP3 7922 24.383 88.892 30.417 1.00 0.00 WT2 H ATOM 34468 OH2 TIP3 7933 25.327 56.193 43.340 1.00 0.00 WT2 O ATOM 34469 H1 TIP3 7933 24.720 55.563 42.951 1.00 0.00 WT2 H ATOM 34470 H2 TIP3 7933 25.624 56.726 42.603 1.00 0.00 WT2 H ATOM 34471 OH2 TIP3 7938 73.516 57.597 4.269 1.00 0.00 WT2 O ATOM 34472 H1 TIP3 7938 72.578 57.781 4.324 1.00 0.00 WT2 H ATOM 34473 H2 TIP3 7938 73.878 57.952 5.081 1.00 0.00 WT2 H ATOM 34474 OH2 TIP3 7939 59.326 96.094 37.163 1.00 0.00 WT2 O ATOM 34475 H1 TIP3 7939 59.863 96.882 37.249 1.00 0.00 WT2 H ATOM 34476 H2 TIP3 7939 59.499 95.598 37.963 1.00 0.00 WT2 H ATOM 34477 OH2 TIP3 7940 74.570 58.578 62.561 1.00 0.00 WT2 O ATOM 34478 H1 TIP3 7940 74.473 59.277 61.914 1.00 0.00 WT2 H ATOM 34479 H2 TIP3 7940 73.856 57.971 62.366 1.00 0.00 WT2 H ATOM 34480 OH2 TIP3 7941 70.549 11.756 -5.811 1.00 0.00 WT2 O ATOM 34481 H1 TIP3 7941 70.188 12.405 -5.207 1.00 0.00 WT2 H ATOM 34482 H2 TIP3 7941 71.259 11.341 -5.320 1.00 0.00 WT2 H ATOM 34483 OH2 TIP3 7942 85.037 68.402 20.993 1.00 0.00 WT2 O ATOM 34484 H1 TIP3 7942 85.399 67.529 21.149 1.00 0.00 WT2 H ATOM 34485 H2 TIP3 7942 84.840 68.416 20.056 1.00 0.00 WT2 H ATOM 34486 OH2 TIP3 7944 36.175 25.638 6.519 1.00 0.00 WT2 O ATOM 34487 H1 TIP3 7944 35.363 26.065 6.792 1.00 0.00 WT2 H ATOM 34488 H2 TIP3 7944 36.674 25.532 7.328 1.00 0.00 WT2 H ATOM 34489 OH2 TIP3 7946 88.439 23.306 43.175 1.00 0.00 WT2 O ATOM 34490 H1 TIP3 7946 88.912 24.042 42.788 1.00 0.00 WT2 H ATOM 34491 H2 TIP3 7946 88.721 23.293 44.089 1.00 0.00 WT2 H ATOM 34492 OH2 TIP3 7947 31.981 20.360 36.264 1.00 0.00 WT2 O ATOM 34493 H1 TIP3 7947 31.576 21.050 35.740 1.00 0.00 WT2 H ATOM 34494 H2 TIP3 7947 31.603 20.468 37.137 1.00 0.00 WT2 H ATOM 34495 OH2 TIP3 7949 57.005 19.195 9.101 1.00 0.00 WT2 O ATOM 34496 H1 TIP3 7949 57.168 18.252 9.062 1.00 0.00 WT2 H ATOM 34497 H2 TIP3 7949 56.590 19.331 9.953 1.00 0.00 WT2 H ATOM 34498 OH2 TIP3 7959 38.735 58.438 64.961 1.00 0.00 WT2 O ATOM 34499 H1 TIP3 7959 38.535 58.413 65.897 1.00 0.00 WT2 H ATOM 34500 H2 TIP3 7959 39.588 58.870 64.910 1.00 0.00 WT2 H ATOM 34501 OH2 TIP3 7962 33.155 67.025 23.644 1.00 0.00 WT2 O ATOM 34502 H1 TIP3 7962 34.048 67.258 23.897 1.00 0.00 WT2 H ATOM 34503 H2 TIP3 7962 32.731 66.774 24.464 1.00 0.00 WT2 H ATOM 34504 OH2 TIP3 7963 47.491 14.253 54.473 1.00 0.00 WT2 O ATOM 34505 H1 TIP3 7963 46.847 13.694 54.037 1.00 0.00 WT2 H ATOM 34506 H2 TIP3 7963 48.065 13.642 54.935 1.00 0.00 WT2 H ATOM 34507 OH2 TIP3 7964 58.353 20.060 -13.197 1.00 0.00 WT2 O ATOM 34508 H1 TIP3 7964 58.511 20.946 -13.524 1.00 0.00 WT2 H ATOM 34509 H2 TIP3 7964 58.629 20.089 -12.281 1.00 0.00 WT2 H ATOM 34510 OH2 TIP3 7965 84.195 22.929 2.639 1.00 0.00 WT2 O ATOM 34511 H1 TIP3 7965 84.045 23.834 2.366 1.00 0.00 WT2 H ATOM 34512 H2 TIP3 7965 85.011 22.961 3.138 1.00 0.00 WT2 H ATOM 34513 OH2 TIP3 7967 65.610 11.255 -16.290 1.00 0.00 WT2 O ATOM 34514 H1 TIP3 7967 66.549 11.305 -16.112 1.00 0.00 WT2 H ATOM 34515 H2 TIP3 7967 65.534 11.425 -17.229 1.00 0.00 WT2 H ATOM 34516 OH2 TIP3 7969 76.417 22.774 47.748 1.00 0.00 WT2 O ATOM 34517 H1 TIP3 7969 76.215 21.838 47.783 1.00 0.00 WT2 H ATOM 34518 H2 TIP3 7969 75.976 23.085 46.958 1.00 0.00 WT2 H ATOM 34519 OH2 TIP3 7972 59.582 81.254 -7.793 1.00 0.00 WT2 O ATOM 34520 H1 TIP3 7972 60.066 82.000 -7.438 1.00 0.00 WT2 H ATOM 34521 H2 TIP3 7972 58.675 81.557 -7.838 1.00 0.00 WT2 H ATOM 34522 OH2 TIP3 7979 42.491 50.711 16.655 1.00 0.00 WT2 O ATOM 34523 H1 TIP3 7979 42.882 51.574 16.790 1.00 0.00 WT2 H ATOM 34524 H2 TIP3 7979 42.028 50.527 17.472 1.00 0.00 WT2 H ATOM 34525 OH2 TIP3 7981 63.619 5.277 56.311 1.00 0.00 WT2 O ATOM 34526 H1 TIP3 7981 64.413 5.650 56.693 1.00 0.00 WT2 H ATOM 34527 H2 TIP3 7981 63.924 4.515 55.818 1.00 0.00 WT2 H ATOM 34528 OH2 TIP3 7983 40.593 26.799 43.284 1.00 0.00 WT2 O ATOM 34529 H1 TIP3 7983 41.222 27.133 42.644 1.00 0.00 WT2 H ATOM 34530 H2 TIP3 7983 39.738 27.047 42.932 1.00 0.00 WT2 H ATOM 34531 OH2 TIP3 7984 24.008 62.632 11.353 1.00 0.00 WT2 O ATOM 34532 H1 TIP3 7984 24.153 63.438 11.849 1.00 0.00 WT2 H ATOM 34533 H2 TIP3 7984 24.571 62.719 10.584 1.00 0.00 WT2 H ATOM 34534 OH2 TIP3 7985 74.528 85.447 37.668 1.00 0.00 WT2 O ATOM 34535 H1 TIP3 7985 74.152 85.738 36.837 1.00 0.00 WT2 H ATOM 34536 H2 TIP3 7985 75.234 86.070 37.842 1.00 0.00 WT2 H ATOM 34537 OH2 TIP3 7986 24.011 0.901 -18.132 1.00 0.00 WT2 O ATOM 34538 H1 TIP3 7986 23.890 0.008 -18.455 1.00 0.00 WT2 H ATOM 34539 H2 TIP3 7986 23.499 0.936 -17.324 1.00 0.00 WT2 H ATOM 34540 OH2 TIP3 7987 81.092 83.642 -4.479 1.00 0.00 WT2 O ATOM 34541 H1 TIP3 7987 81.738 83.892 -3.818 1.00 0.00 WT2 H ATOM 34542 H2 TIP3 7987 80.865 82.738 -4.262 1.00 0.00 WT2 H ATOM 34543 OH2 TIP3 8003 89.376 46.232 44.235 1.00 0.00 WT2 O ATOM 34544 H1 TIP3 8003 88.542 46.687 44.115 1.00 0.00 WT2 H ATOM 34545 H2 TIP3 8003 89.709 46.559 45.070 1.00 0.00 WT2 H ATOM 34546 OH2 TIP3 8004 88.353 73.539 -2.825 1.00 0.00 WT2 O ATOM 34547 H1 TIP3 8004 88.029 72.680 -2.554 1.00 0.00 WT2 H ATOM 34548 H2 TIP3 8004 89.116 73.346 -3.371 1.00 0.00 WT2 H ATOM 34549 OH2 TIP3 8005 66.303 19.102 9.612 1.00 0.00 WT2 O ATOM 34550 H1 TIP3 8005 66.733 18.250 9.533 1.00 0.00 WT2 H ATOM 34551 H2 TIP3 8005 65.369 18.907 9.539 1.00 0.00 WT2 H ATOM 34552 OH2 TIP3 8007 82.711 59.205 -10.834 1.00 0.00 WT2 O ATOM 34553 H1 TIP3 8007 82.223 58.398 -10.676 1.00 0.00 WT2 H ATOM 34554 H2 TIP3 8007 82.133 59.901 -10.521 1.00 0.00 WT2 H ATOM 34555 OH2 TIP3 8012 44.980 44.172 14.151 1.00 0.00 WT2 O ATOM 34556 H1 TIP3 8012 45.179 45.006 14.576 1.00 0.00 WT2 H ATOM 34557 H2 TIP3 8012 44.541 43.656 14.827 1.00 0.00 WT2 H ATOM 34558 OH2 TIP3 8020 41.107 72.384 13.988 1.00 0.00 WT2 O ATOM 34559 H1 TIP3 8020 40.370 72.228 14.579 1.00 0.00 WT2 H ATOM 34560 H2 TIP3 8020 41.457 71.512 13.807 1.00 0.00 WT2 H ATOM 34561 OH2 TIP3 8022 89.428 5.463 49.600 1.00 0.00 WT2 O ATOM 34562 H1 TIP3 8022 89.470 4.565 49.271 1.00 0.00 WT2 H ATOM 34563 H2 TIP3 8022 90.202 5.890 49.233 1.00 0.00 WT2 H ATOM 34564 OH2 TIP3 8023 61.538 13.200 59.527 1.00 0.00 WT2 O ATOM 34565 H1 TIP3 8023 62.378 12.808 59.765 1.00 0.00 WT2 H ATOM 34566 H2 TIP3 8023 60.902 12.773 60.101 1.00 0.00 WT2 H ATOM 34567 OH2 TIP3 8024 79.095 63.304 32.016 1.00 0.00 WT2 O ATOM 34568 H1 TIP3 8024 79.073 63.138 31.073 1.00 0.00 WT2 H ATOM 34569 H2 TIP3 8024 78.329 62.844 32.359 1.00 0.00 WT2 H ATOM 34570 OH2 TIP3 8027 30.774 56.340 13.613 1.00 0.00 WT2 O ATOM 34571 H1 TIP3 8027 31.055 55.499 13.974 1.00 0.00 WT2 H ATOM 34572 H2 TIP3 8027 30.792 56.212 12.664 1.00 0.00 WT2 H ATOM 34573 OH2 TIP3 8029 20.949 67.321 39.527 1.00 0.00 WT2 O ATOM 34574 H1 TIP3 8029 21.810 67.041 39.835 1.00 0.00 WT2 H ATOM 34575 H2 TIP3 8029 20.888 66.975 38.636 1.00 0.00 WT2 H ATOM 34576 OH2 TIP3 8030 40.826 16.462 12.292 1.00 0.00 WT2 O ATOM 34577 H1 TIP3 8030 40.419 16.603 13.147 1.00 0.00 WT2 H ATOM 34578 H2 TIP3 8030 41.724 16.198 12.495 1.00 0.00 WT2 H ATOM 34579 OH2 TIP3 8040 61.467 39.712 42.203 1.00 0.00 WT2 O ATOM 34580 H1 TIP3 8040 61.888 40.105 41.439 1.00 0.00 WT2 H ATOM 34581 H2 TIP3 8040 62.050 38.996 42.456 1.00 0.00 WT2 H ATOM 34582 OH2 TIP3 8041 38.059 10.021 44.478 1.00 0.00 WT2 O ATOM 34583 H1 TIP3 8041 37.445 9.388 44.851 1.00 0.00 WT2 H ATOM 34584 H2 TIP3 8041 37.591 10.855 44.508 1.00 0.00 WT2 H ATOM 34585 OH2 TIP3 8045 27.938 67.048 43.525 1.00 0.00 WT2 O ATOM 34586 H1 TIP3 8045 28.567 67.399 42.893 1.00 0.00 WT2 H ATOM 34587 H2 TIP3 8045 27.818 66.135 43.263 1.00 0.00 WT2 H ATOM 34588 OH2 TIP3 8046 22.686 95.503 31.790 1.00 0.00 WT2 O ATOM 34589 H1 TIP3 8046 22.474 95.801 32.675 1.00 0.00 WT2 H ATOM 34590 H2 TIP3 8046 22.130 94.735 31.657 1.00 0.00 WT2 H ATOM 34591 OH2 TIP3 8047 79.690 45.914 45.673 1.00 0.00 WT2 O ATOM 34592 H1 TIP3 8047 80.344 45.384 46.129 1.00 0.00 WT2 H ATOM 34593 H2 TIP3 8047 78.983 45.302 45.471 1.00 0.00 WT2 H ATOM 34594 OH2 TIP3 8050 23.654 66.393 43.995 1.00 0.00 WT2 O ATOM 34595 H1 TIP3 8050 22.926 65.782 43.885 1.00 0.00 WT2 H ATOM 34596 H2 TIP3 8050 23.740 66.496 44.942 1.00 0.00 WT2 H ATOM 34597 OH2 TIP3 8052 65.116 1.292 11.460 1.00 0.00 WT2 O ATOM 34598 H1 TIP3 8052 65.765 0.598 11.346 1.00 0.00 WT2 H ATOM 34599 H2 TIP3 8052 64.476 1.140 10.764 1.00 0.00 WT2 H ATOM 34600 OH2 TIP3 8063 45.134 76.542 -10.820 1.00 0.00 WT2 O ATOM 34601 H1 TIP3 8063 45.331 77.051 -11.607 1.00 0.00 WT2 H ATOM 34602 H2 TIP3 8063 45.823 75.879 -10.784 1.00 0.00 WT2 H ATOM 34603 OH2 TIP3 8064 83.302 24.313 39.022 1.00 0.00 WT2 O ATOM 34604 H1 TIP3 8064 83.802 24.631 39.773 1.00 0.00 WT2 H ATOM 34605 H2 TIP3 8064 82.480 23.996 39.397 1.00 0.00 WT2 H ATOM 34606 OH2 TIP3 8067 47.655 42.424 4.872 1.00 0.00 WT2 O ATOM 34607 H1 TIP3 8067 48.212 42.099 5.580 1.00 0.00 WT2 H ATOM 34608 H2 TIP3 8067 46.998 42.964 5.313 1.00 0.00 WT2 H ATOM 34609 OH2 TIP3 8068 66.293 23.316 -9.548 1.00 0.00 WT2 O ATOM 34610 H1 TIP3 8068 67.153 23.081 -9.200 1.00 0.00 WT2 H ATOM 34611 H2 TIP3 8068 66.173 22.739 -10.302 1.00 0.00 WT2 H ATOM 34612 OH2 TIP3 8069 65.286 12.837 44.424 1.00 0.00 WT2 O ATOM 34613 H1 TIP3 8069 65.827 12.387 45.073 1.00 0.00 WT2 H ATOM 34614 H2 TIP3 8069 64.950 12.137 43.865 1.00 0.00 WT2 H ATOM 34615 OH2 TIP3 8070 82.283 18.276 47.929 1.00 0.00 WT2 O ATOM 34616 H1 TIP3 8070 82.831 18.831 48.483 1.00 0.00 WT2 H ATOM 34617 H2 TIP3 8070 81.510 18.091 48.464 1.00 0.00 WT2 H ATOM 34618 OH2 TIP3 8071 24.131 65.468 -13.500 1.00 0.00 WT2 O ATOM 34619 H1 TIP3 8071 23.480 65.723 -14.153 1.00 0.00 WT2 H ATOM 34620 H2 TIP3 8071 24.676 66.247 -13.388 1.00 0.00 WT2 H ATOM 34621 OH2 TIP3 8075 70.203 37.327 54.299 1.00 0.00 WT2 O ATOM 34622 H1 TIP3 8075 69.368 37.234 53.841 1.00 0.00 WT2 H ATOM 34623 H2 TIP3 8075 70.862 37.303 53.604 1.00 0.00 WT2 H ATOM 34624 OH2 TIP3 8084 42.838 79.868 -7.761 1.00 0.00 WT2 O ATOM 34625 H1 TIP3 8084 43.412 79.281 -7.268 1.00 0.00 WT2 H ATOM 34626 H2 TIP3 8084 42.495 79.327 -8.472 1.00 0.00 WT2 H ATOM 34627 OH2 TIP3 8085 59.021 25.018 20.923 1.00 0.00 WT2 O ATOM 34628 H1 TIP3 8085 58.424 25.655 21.315 1.00 0.00 WT2 H ATOM 34629 H2 TIP3 8085 59.603 25.541 20.373 1.00 0.00 WT2 H ATOM 34630 OH2 TIP3 8087 61.817 93.135 29.064 1.00 0.00 WT2 O ATOM 34631 H1 TIP3 8087 61.171 92.517 28.722 1.00 0.00 WT2 H ATOM 34632 H2 TIP3 8087 61.520 93.990 28.752 1.00 0.00 WT2 H ATOM 34633 OH2 TIP3 8088 22.951 69.623 9.518 1.00 0.00 WT2 O ATOM 34634 H1 TIP3 8088 23.145 70.106 8.714 1.00 0.00 WT2 H ATOM 34635 H2 TIP3 8088 23.759 69.672 10.028 1.00 0.00 WT2 H ATOM 34636 OH2 TIP3 8089 45.890 14.604 19.278 1.00 0.00 WT2 O ATOM 34637 H1 TIP3 8089 45.411 15.432 19.224 1.00 0.00 WT2 H ATOM 34638 H2 TIP3 8089 46.805 14.863 19.389 1.00 0.00 WT2 H ATOM 34639 OH2 TIP3 8091 45.287 51.323 60.792 1.00 0.00 WT2 O ATOM 34640 H1 TIP3 8091 44.641 51.926 60.425 1.00 0.00 WT2 H ATOM 34641 H2 TIP3 8091 44.794 50.799 61.424 1.00 0.00 WT2 H ATOM 34642 OH2 TIP3 8092 61.593 9.412 -5.179 1.00 0.00 WT2 O ATOM 34643 H1 TIP3 8092 62.511 9.380 -4.911 1.00 0.00 WT2 H ATOM 34644 H2 TIP3 8092 61.126 8.932 -4.494 1.00 0.00 WT2 H ATOM 34645 OH2 TIP3 8093 62.787 32.817 25.878 1.00 0.00 WT2 O ATOM 34646 H1 TIP3 8093 62.256 33.589 25.686 1.00 0.00 WT2 H ATOM 34647 H2 TIP3 8093 63.379 32.740 25.129 1.00 0.00 WT2 H ATOM 34648 OH2 TIP3 8095 70.077 35.572 27.804 1.00 0.00 WT2 O ATOM 34649 H1 TIP3 8095 70.502 36.252 28.326 1.00 0.00 WT2 H ATOM 34650 H2 TIP3 8095 70.036 35.937 26.921 1.00 0.00 WT2 H ATOM 34651 OH2 TIP3 8096 33.071 62.781 -0.725 1.00 0.00 WT2 O ATOM 34652 H1 TIP3 8096 33.903 62.593 -0.289 1.00 0.00 WT2 H ATOM 34653 H2 TIP3 8096 32.660 61.924 -0.837 1.00 0.00 WT2 H ATOM 34654 OH2 TIP3 8104 59.589 36.646 26.511 1.00 0.00 WT2 O ATOM 34655 H1 TIP3 8104 60.217 36.799 25.805 1.00 0.00 WT2 H ATOM 34656 H2 TIP3 8104 58.841 37.202 26.292 1.00 0.00 WT2 H ATOM 34657 OH2 TIP3 8106 79.475 66.776 16.048 1.00 0.00 WT2 O ATOM 34658 H1 TIP3 8106 80.237 66.215 16.194 1.00 0.00 WT2 H ATOM 34659 H2 TIP3 8106 78.764 66.166 15.847 1.00 0.00 WT2 H ATOM 34660 OH2 TIP3 8107 50.749 15.998 29.593 1.00 0.00 WT2 O ATOM 34661 H1 TIP3 8107 49.847 16.300 29.695 1.00 0.00 WT2 H ATOM 34662 H2 TIP3 8107 50.939 15.531 30.407 1.00 0.00 WT2 H ATOM 34663 OH2 TIP3 8109 52.179 31.911 -15.080 1.00 0.00 WT2 O ATOM 34664 H1 TIP3 8109 52.295 31.253 -14.394 1.00 0.00 WT2 H ATOM 34665 H2 TIP3 8109 52.086 32.738 -14.606 1.00 0.00 WT2 H ATOM 34666 OH2 TIP3 8110 35.858 43.814 38.429 1.00 0.00 WT2 O ATOM 34667 H1 TIP3 8110 35.714 43.811 39.376 1.00 0.00 WT2 H ATOM 34668 H2 TIP3 8110 35.368 44.574 38.115 1.00 0.00 WT2 H ATOM 34669 OH2 TIP3 8111 76.876 26.517 13.895 1.00 0.00 WT2 O ATOM 34670 H1 TIP3 8111 77.017 26.530 14.841 1.00 0.00 WT2 H ATOM 34671 H2 TIP3 8111 76.646 27.419 13.674 1.00 0.00 WT2 H ATOM 34672 OH2 TIP3 8112 53.568 31.506 4.349 1.00 0.00 WT2 O ATOM 34673 H1 TIP3 8112 53.396 32.165 5.022 1.00 0.00 WT2 H ATOM 34674 H2 TIP3 8112 54.148 30.874 4.775 1.00 0.00 WT2 H ATOM 34675 OH2 TIP3 8113 84.310 30.091 20.724 1.00 0.00 WT2 O ATOM 34676 H1 TIP3 8113 84.498 29.406 21.365 1.00 0.00 WT2 H ATOM 34677 H2 TIP3 8113 84.304 30.901 21.233 1.00 0.00 WT2 H ATOM 34678 OH2 TIP3 8114 87.737 33.290 35.027 1.00 0.00 WT2 O ATOM 34679 H1 TIP3 8114 88.525 32.786 35.231 1.00 0.00 WT2 H ATOM 34680 H2 TIP3 8114 87.906 33.660 34.161 1.00 0.00 WT2 H ATOM 34681 OH2 TIP3 8126 79.097 65.199 -13.990 1.00 0.00 WT2 O ATOM 34682 H1 TIP3 8126 79.450 65.573 -13.183 1.00 0.00 WT2 H ATOM 34683 H2 TIP3 8126 79.749 64.554 -14.262 1.00 0.00 WT2 H ATOM 34684 OH2 TIP3 8129 60.772 59.540 54.218 1.00 0.00 WT2 O ATOM 34685 H1 TIP3 8129 61.583 60.046 54.176 1.00 0.00 WT2 H ATOM 34686 H2 TIP3 8129 60.568 59.337 53.305 1.00 0.00 WT2 H ATOM 34687 OH2 TIP3 8131 70.624 10.095 61.432 1.00 0.00 WT2 O ATOM 34688 H1 TIP3 8131 71.453 10.487 61.707 1.00 0.00 WT2 H ATOM 34689 H2 TIP3 8131 70.728 9.162 61.616 1.00 0.00 WT2 H ATOM 34690 OH2 TIP3 8135 25.993 93.206 58.975 1.00 0.00 WT2 O ATOM 34691 H1 TIP3 8135 25.842 93.489 58.073 1.00 0.00 WT2 H ATOM 34692 H2 TIP3 8135 25.307 93.641 59.481 1.00 0.00 WT2 H ATOM 34693 OH2 TIP3 8136 23.075 91.245 14.443 1.00 0.00 WT2 O ATOM 34694 H1 TIP3 8136 22.807 90.405 14.814 1.00 0.00 WT2 H ATOM 34695 H2 TIP3 8136 23.836 91.505 14.962 1.00 0.00 WT2 H ATOM 34696 OH2 TIP3 8150 75.386 85.435 -8.470 1.00 0.00 WT2 O ATOM 34697 H1 TIP3 8150 76.161 85.603 -7.935 1.00 0.00 WT2 H ATOM 34698 H2 TIP3 8150 75.610 85.782 -9.334 1.00 0.00 WT2 H ATOM 34699 OH2 TIP3 8152 52.292 48.758 56.520 1.00 0.00 WT2 O ATOM 34700 H1 TIP3 8152 53.027 49.344 56.341 1.00 0.00 WT2 H ATOM 34701 H2 TIP3 8152 51.546 49.167 56.082 1.00 0.00 WT2 H ATOM 34702 OH2 TIP3 8154 25.454 30.783 30.358 1.00 0.00 WT2 O ATOM 34703 H1 TIP3 8154 24.525 30.612 30.207 1.00 0.00 WT2 H ATOM 34704 H2 TIP3 8154 25.816 30.928 29.483 1.00 0.00 WT2 H ATOM 34705 OH2 TIP3 8155 32.814 83.490 56.074 1.00 0.00 WT2 O ATOM 34706 H1 TIP3 8155 31.913 83.743 55.877 1.00 0.00 WT2 H ATOM 34707 H2 TIP3 8155 33.345 84.209 55.731 1.00 0.00 WT2 H ATOM 34708 OH2 TIP3 8157 85.019 91.376 -8.919 1.00 0.00 WT2 O ATOM 34709 H1 TIP3 8157 84.188 91.651 -8.530 1.00 0.00 WT2 H ATOM 34710 H2 TIP3 8157 85.646 92.044 -8.641 1.00 0.00 WT2 H ATOM 34711 OH2 TIP3 8159 31.046 86.356 10.528 1.00 0.00 WT2 O ATOM 34712 H1 TIP3 8159 31.350 87.162 10.945 1.00 0.00 WT2 H ATOM 34713 H2 TIP3 8159 30.109 86.495 10.393 1.00 0.00 WT2 H ATOM 34714 OH2 TIP3 8169 82.255 68.278 4.045 1.00 0.00 WT2 O ATOM 34715 H1 TIP3 8169 82.555 68.970 3.454 1.00 0.00 WT2 H ATOM 34716 H2 TIP3 8169 82.661 67.480 3.704 1.00 0.00 WT2 H ATOM 34717 OH2 TIP3 8171 41.555 58.610 -9.603 1.00 0.00 WT2 O ATOM 34718 H1 TIP3 8171 41.558 59.568 -9.585 1.00 0.00 WT2 H ATOM 34719 H2 TIP3 8171 41.230 58.355 -8.739 1.00 0.00 WT2 H ATOM 34720 OH2 TIP3 8173 49.244 42.630 42.140 1.00 0.00 WT2 O ATOM 34721 H1 TIP3 8173 48.689 41.924 41.808 1.00 0.00 WT2 H ATOM 34722 H2 TIP3 8173 49.986 42.656 41.536 1.00 0.00 WT2 H ATOM 34723 OH2 TIP3 8174 35.686 46.843 62.375 1.00 0.00 WT2 O ATOM 34724 H1 TIP3 8174 35.631 46.174 63.058 1.00 0.00 WT2 H ATOM 34725 H2 TIP3 8174 36.329 47.471 62.705 1.00 0.00 WT2 H ATOM 34726 OH2 TIP3 8178 38.760 36.501 8.591 1.00 0.00 WT2 O ATOM 34727 H1 TIP3 8178 38.523 37.406 8.794 1.00 0.00 WT2 H ATOM 34728 H2 TIP3 8178 38.985 36.514 7.661 1.00 0.00 WT2 H ATOM 34729 OH2 TIP3 8181 82.421 7.055 60.929 1.00 0.00 WT2 O ATOM 34730 H1 TIP3 8181 82.216 7.774 61.527 1.00 0.00 WT2 H ATOM 34731 H2 TIP3 8181 82.639 6.320 61.503 1.00 0.00 WT2 H ATOM 34732 OH2 TIP3 8192 27.195 32.982 36.309 1.00 0.00 WT2 O ATOM 34733 H1 TIP3 8192 28.098 33.189 36.070 1.00 0.00 WT2 H ATOM 34734 H2 TIP3 8192 26.693 33.755 36.049 1.00 0.00 WT2 H ATOM 34735 OH2 TIP3 8193 44.762 1.511 43.381 1.00 0.00 WT2 O ATOM 34736 H1 TIP3 8193 43.970 1.259 43.854 1.00 0.00 WT2 H ATOM 34737 H2 TIP3 8193 45.056 0.704 42.958 1.00 0.00 WT2 H ATOM 34738 OH2 TIP3 8194 66.376 22.752 49.915 1.00 0.00 WT2 O ATOM 34739 H1 TIP3 8194 66.071 23.457 49.343 1.00 0.00 WT2 H ATOM 34740 H2 TIP3 8194 66.140 21.948 49.451 1.00 0.00 WT2 H ATOM 34741 OH2 TIP3 8196 58.679 31.162 63.218 1.00 0.00 WT2 O ATOM 34742 H1 TIP3 8196 58.179 30.602 62.625 1.00 0.00 WT2 H ATOM 34743 H2 TIP3 8196 59.447 31.425 62.711 1.00 0.00 WT2 H ATOM 34744 OH2 TIP3 8198 34.284 16.703 32.313 1.00 0.00 WT2 O ATOM 34745 H1 TIP3 8198 34.561 16.295 31.493 1.00 0.00 WT2 H ATOM 34746 H2 TIP3 8198 33.920 17.548 32.051 1.00 0.00 WT2 H ATOM 34747 OH2 TIP3 8200 22.225 49.458 53.496 1.00 0.00 WT2 O ATOM 34748 H1 TIP3 8200 21.963 50.280 53.910 1.00 0.00 WT2 H ATOM 34749 H2 TIP3 8200 22.792 49.725 52.772 1.00 0.00 WT2 H ATOM 34750 OH2 TIP3 8211 55.546 35.654 -8.504 1.00 0.00 WT2 O ATOM 34751 H1 TIP3 8211 55.801 35.910 -9.391 1.00 0.00 WT2 H ATOM 34752 H2 TIP3 8211 56.213 35.021 -8.236 1.00 0.00 WT2 H ATOM 34753 OH2 TIP3 8212 40.604 23.818 59.700 1.00 0.00 WT2 O ATOM 34754 H1 TIP3 8212 40.531 24.348 60.494 1.00 0.00 WT2 H ATOM 34755 H2 TIP3 8212 40.293 22.951 59.961 1.00 0.00 WT2 H ATOM 34756 OH2 TIP3 8215 25.475 43.657 55.018 1.00 0.00 WT2 O ATOM 34757 H1 TIP3 8215 25.907 42.826 54.821 1.00 0.00 WT2 H ATOM 34758 H2 TIP3 8215 25.894 43.961 55.823 1.00 0.00 WT2 H ATOM 34759 OH2 TIP3 8216 57.796 91.983 8.546 1.00 0.00 WT2 O ATOM 34760 H1 TIP3 8216 56.989 91.866 8.046 1.00 0.00 WT2 H ATOM 34761 H2 TIP3 8216 57.707 91.386 9.289 1.00 0.00 WT2 H ATOM 34762 OH2 TIP3 8218 69.046 92.449 36.591 1.00 0.00 WT2 O ATOM 34763 H1 TIP3 8218 68.574 92.317 37.413 1.00 0.00 WT2 H ATOM 34764 H2 TIP3 8218 68.392 92.815 35.995 1.00 0.00 WT2 H ATOM 34765 OH2 TIP3 8219 66.928 48.837 3.385 1.00 0.00 WT2 O ATOM 34766 H1 TIP3 8219 66.626 48.708 4.285 1.00 0.00 WT2 H ATOM 34767 H2 TIP3 8219 66.572 49.688 3.132 1.00 0.00 WT2 H ATOM 34768 OH2 TIP3 8231 50.299 2.274 60.834 1.00 0.00 WT2 O ATOM 34769 H1 TIP3 8231 50.573 3.190 60.797 1.00 0.00 WT2 H ATOM 34770 H2 TIP3 8231 51.076 1.802 61.133 1.00 0.00 WT2 H ATOM 34771 OH2 TIP3 8233 38.577 84.312 -0.474 1.00 0.00 WT2 O ATOM 34772 H1 TIP3 8233 38.767 85.250 -0.491 1.00 0.00 WT2 H ATOM 34773 H2 TIP3 8233 38.046 84.160 -1.255 1.00 0.00 WT2 H ATOM 34774 OH2 TIP3 8234 42.875 25.881 -2.974 1.00 0.00 WT2 O ATOM 34775 H1 TIP3 8234 42.999 25.401 -3.793 1.00 0.00 WT2 H ATOM 34776 H2 TIP3 8234 43.755 26.168 -2.729 1.00 0.00 WT2 H ATOM 34777 OH2 TIP3 8235 30.759 93.404 42.970 1.00 0.00 WT2 O ATOM 34778 H1 TIP3 8235 29.809 93.405 42.851 1.00 0.00 WT2 H ATOM 34779 H2 TIP3 8235 30.959 92.525 43.293 1.00 0.00 WT2 H ATOM 34780 OH2 TIP3 8239 71.981 70.167 -13.337 1.00 0.00 WT2 O ATOM 34781 H1 TIP3 8239 71.605 70.521 -12.531 1.00 0.00 WT2 H ATOM 34782 H2 TIP3 8239 72.918 70.351 -13.265 1.00 0.00 WT2 H ATOM 34783 OH2 TIP3 8240 29.071 75.226 2.426 1.00 0.00 WT2 O ATOM 34784 H1 TIP3 8240 29.799 74.688 2.739 1.00 0.00 WT2 H ATOM 34785 H2 TIP3 8240 29.418 76.118 2.420 1.00 0.00 WT2 H ATOM 34786 OH2 TIP3 8242 36.319 24.788 33.094 1.00 0.00 WT2 O ATOM 34787 H1 TIP3 8242 36.750 25.327 33.758 1.00 0.00 WT2 H ATOM 34788 H2 TIP3 8242 36.718 25.061 32.268 1.00 0.00 WT2 H ATOM 34789 OH2 TIP3 8256 69.960 33.918 51.152 1.00 0.00 WT2 O ATOM 34790 H1 TIP3 8256 70.791 34.059 50.699 1.00 0.00 WT2 H ATOM 34791 H2 TIP3 8256 69.371 34.577 50.786 1.00 0.00 WT2 H ATOM 34792 OH2 TIP3 8257 75.939 11.076 -2.881 1.00 0.00 WT2 O ATOM 34793 H1 TIP3 8257 75.999 11.835 -2.302 1.00 0.00 WT2 H ATOM 34794 H2 TIP3 8257 75.144 11.226 -3.393 1.00 0.00 WT2 H ATOM 34795 OH2 TIP3 8258 51.727 2.077 28.973 1.00 0.00 WT2 O ATOM 34796 H1 TIP3 8258 50.817 1.923 29.229 1.00 0.00 WT2 H ATOM 34797 H2 TIP3 8258 51.744 1.907 28.032 1.00 0.00 WT2 H ATOM 34798 OH2 TIP3 8259 80.814 71.518 61.097 1.00 0.00 WT2 O ATOM 34799 H1 TIP3 8259 81.261 70.929 60.490 1.00 0.00 WT2 H ATOM 34800 H2 TIP3 8259 79.901 71.514 60.808 1.00 0.00 WT2 H ATOM 34801 OH2 TIP3 8260 39.387 38.799 13.470 1.00 0.00 WT2 O ATOM 34802 H1 TIP3 8260 38.682 39.080 14.052 1.00 0.00 WT2 H ATOM 34803 H2 TIP3 8260 40.107 38.571 14.057 1.00 0.00 WT2 H ATOM 34804 OH2 TIP3 8276 55.682 24.169 22.603 1.00 0.00 WT2 O ATOM 34805 H1 TIP3 8276 55.140 24.634 21.965 1.00 0.00 WT2 H ATOM 34806 H2 TIP3 8276 55.127 24.091 23.378 1.00 0.00 WT2 H ATOM 34807 OH2 TIP3 8277 66.228 68.435 -14.178 1.00 0.00 WT2 O ATOM 34808 H1 TIP3 8277 66.606 69.266 -13.890 1.00 0.00 WT2 H ATOM 34809 H2 TIP3 8277 66.764 68.175 -14.927 1.00 0.00 WT2 H ATOM 34810 OH2 TIP3 8278 83.701 84.832 13.077 1.00 0.00 WT2 O ATOM 34811 H1 TIP3 8278 84.234 84.742 13.867 1.00 0.00 WT2 H ATOM 34812 H2 TIP3 8278 82.871 85.195 13.387 1.00 0.00 WT2 H ATOM 34813 OH2 TIP3 8279 57.693 21.941 -2.317 1.00 0.00 WT2 O ATOM 34814 H1 TIP3 8279 57.144 21.712 -1.567 1.00 0.00 WT2 H ATOM 34815 H2 TIP3 8279 58.247 22.655 -2.000 1.00 0.00 WT2 H ATOM 34816 OH2 TIP3 8280 68.822 12.499 -9.108 1.00 0.00 WT2 O ATOM 34817 H1 TIP3 8280 69.616 12.957 -8.832 1.00 0.00 WT2 H ATOM 34818 H2 TIP3 8280 68.110 12.980 -8.686 1.00 0.00 WT2 H ATOM 34819 OH2 TIP3 8281 63.650 39.587 57.431 1.00 0.00 WT2 O ATOM 34820 H1 TIP3 8281 63.504 39.244 56.550 1.00 0.00 WT2 H ATOM 34821 H2 TIP3 8281 64.053 38.862 57.908 1.00 0.00 WT2 H ATOM 34822 OH2 TIP3 8297 59.636 47.516 -13.300 1.00 0.00 WT2 O ATOM 34823 H1 TIP3 8297 60.471 47.125 -13.044 1.00 0.00 WT2 H ATOM 34824 H2 TIP3 8297 59.026 47.250 -12.612 1.00 0.00 WT2 H ATOM 34825 OH2 TIP3 8300 64.430 91.749 39.535 1.00 0.00 WT2 O ATOM 34826 H1 TIP3 8300 64.349 91.968 38.606 1.00 0.00 WT2 H ATOM 34827 H2 TIP3 8300 63.696 91.160 39.707 1.00 0.00 WT2 H ATOM 34828 OH2 TIP3 8301 69.521 49.886 -18.387 1.00 0.00 WT2 O ATOM 34829 H1 TIP3 8301 68.590 49.783 -18.190 1.00 0.00 WT2 H ATOM 34830 H2 TIP3 8301 69.763 50.715 -17.975 1.00 0.00 WT2 H ATOM 34831 OH2 TIP3 8302 48.947 37.517 45.058 1.00 0.00 WT2 O ATOM 34832 H1 TIP3 8302 49.030 36.646 45.445 1.00 0.00 WT2 H ATOM 34833 H2 TIP3 8302 48.003 37.653 44.974 1.00 0.00 WT2 H ATOM 34834 OH2 TIP3 8305 52.349 7.982 10.456 1.00 0.00 WT2 O ATOM 34835 H1 TIP3 8305 52.135 7.169 10.914 1.00 0.00 WT2 H ATOM 34836 H2 TIP3 8305 52.045 7.840 9.560 1.00 0.00 WT2 H ATOM 34837 OH2 TIP3 8315 36.386 36.913 -2.652 1.00 0.00 WT2 O ATOM 34838 H1 TIP3 8315 36.640 36.133 -3.146 1.00 0.00 WT2 H ATOM 34839 H2 TIP3 8315 36.727 37.645 -3.168 1.00 0.00 WT2 H ATOM 34840 OH2 TIP3 8317 60.198 69.327 -5.096 1.00 0.00 WT2 O ATOM 34841 H1 TIP3 8317 59.524 69.849 -4.660 1.00 0.00 WT2 H ATOM 34842 H2 TIP3 8317 59.976 68.421 -4.883 1.00 0.00 WT2 H ATOM 34843 OH2 TIP3 8319 79.012 32.450 26.745 1.00 0.00 WT2 O ATOM 34844 H1 TIP3 8319 78.905 33.123 26.073 1.00 0.00 WT2 H ATOM 34845 H2 TIP3 8319 78.305 32.618 27.369 1.00 0.00 WT2 H ATOM 34846 OH2 TIP3 8322 31.023 71.484 58.384 1.00 0.00 WT2 O ATOM 34847 H1 TIP3 8322 31.334 71.131 57.550 1.00 0.00 WT2 H ATOM 34848 H2 TIP3 8322 31.807 71.529 58.933 1.00 0.00 WT2 H ATOM 34849 OH2 TIP3 8323 59.169 49.014 47.252 1.00 0.00 WT2 O ATOM 34850 H1 TIP3 8323 58.695 48.220 47.501 1.00 0.00 WT2 H ATOM 34851 H2 TIP3 8323 58.537 49.721 47.382 1.00 0.00 WT2 H ATOM 34852 OH2 TIP3 8324 70.755 18.181 52.688 1.00 0.00 WT2 O ATOM 34853 H1 TIP3 8324 70.339 18.942 52.283 1.00 0.00 WT2 H ATOM 34854 H2 TIP3 8324 71.598 18.507 53.003 1.00 0.00 WT2 H ATOM 34855 OH2 TIP3 8325 58.626 61.456 -3.739 1.00 0.00 WT2 O ATOM 34856 H1 TIP3 8325 57.676 61.533 -3.828 1.00 0.00 WT2 H ATOM 34857 H2 TIP3 8325 58.895 62.276 -3.326 1.00 0.00 WT2 H ATOM 34858 OH2 TIP3 8338 30.580 64.751 1.578 1.00 0.00 WT2 O ATOM 34859 H1 TIP3 8338 31.512 64.619 1.402 1.00 0.00 WT2 H ATOM 34860 H2 TIP3 8338 30.396 65.631 1.248 1.00 0.00 WT2 H ATOM 34861 OH2 TIP3 8339 41.917 3.666 53.470 1.00 0.00 WT2 O ATOM 34862 H1 TIP3 8339 42.227 2.780 53.282 1.00 0.00 WT2 H ATOM 34863 H2 TIP3 8339 42.145 3.810 54.389 1.00 0.00 WT2 H ATOM 34864 OH2 TIP3 8344 88.527 89.057 6.500 1.00 0.00 WT2 O ATOM 34865 H1 TIP3 8344 87.986 88.280 6.638 1.00 0.00 WT2 H ATOM 34866 H2 TIP3 8344 89.353 88.716 6.155 1.00 0.00 WT2 H ATOM 34867 OH2 TIP3 8345 26.019 17.381 -0.019 1.00 0.00 WT2 O ATOM 34868 H1 TIP3 8345 25.420 18.124 -0.093 1.00 0.00 WT2 H ATOM 34869 H2 TIP3 8345 26.185 17.300 0.921 1.00 0.00 WT2 H ATOM 34870 OH2 TIP3 8347 63.331 24.622 38.031 1.00 0.00 WT2 O ATOM 34871 H1 TIP3 8347 62.586 24.083 38.299 1.00 0.00 WT2 H ATOM 34872 H2 TIP3 8347 63.959 24.534 38.748 1.00 0.00 WT2 H ATOM 34873 OH2 TIP3 8362 72.520 95.155 38.796 1.00 0.00 WT2 O ATOM 34874 H1 TIP3 8362 72.135 94.863 37.969 1.00 0.00 WT2 H ATOM 34875 H2 TIP3 8362 72.406 96.106 38.791 1.00 0.00 WT2 H ATOM 34876 OH2 TIP3 8363 74.692 68.310 -8.826 1.00 0.00 WT2 O ATOM 34877 H1 TIP3 8363 74.014 68.585 -9.443 1.00 0.00 WT2 H ATOM 34878 H2 TIP3 8363 74.243 67.719 -8.222 1.00 0.00 WT2 H ATOM 34879 OH2 TIP3 8364 71.371 62.877 15.751 1.00 0.00 WT2 O ATOM 34880 H1 TIP3 8364 70.957 62.868 14.887 1.00 0.00 WT2 H ATOM 34881 H2 TIP3 8364 71.720 61.992 15.859 1.00 0.00 WT2 H ATOM 34882 OH2 TIP3 8365 69.222 76.003 16.300 1.00 0.00 WT2 O ATOM 34883 H1 TIP3 8365 68.959 75.083 16.301 1.00 0.00 WT2 H ATOM 34884 H2 TIP3 8365 68.662 76.413 15.641 1.00 0.00 WT2 H ATOM 34885 OH2 TIP3 8366 71.203 82.763 64.310 1.00 0.00 WT2 O ATOM 34886 H1 TIP3 8366 71.878 83.139 64.876 1.00 0.00 WT2 H ATOM 34887 H2 TIP3 8366 71.504 81.870 64.139 1.00 0.00 WT2 H ATOM 34888 OH2 TIP3 8367 68.596 77.371 24.366 1.00 0.00 WT2 O ATOM 34889 H1 TIP3 8367 68.046 76.817 23.813 1.00 0.00 WT2 H ATOM 34890 H2 TIP3 8367 69.373 76.840 24.541 1.00 0.00 WT2 H ATOM 34891 OH2 TIP3 8377 68.552 81.638 11.948 1.00 0.00 WT2 O ATOM 34892 H1 TIP3 8377 67.667 81.479 12.278 1.00 0.00 WT2 H ATOM 34893 H2 TIP3 8377 68.662 81.001 11.241 1.00 0.00 WT2 H ATOM 34894 OH2 TIP3 8378 45.229 36.124 10.042 1.00 0.00 WT2 O ATOM 34895 H1 TIP3 8378 44.768 35.604 10.700 1.00 0.00 WT2 H ATOM 34896 H2 TIP3 8378 46.150 36.074 10.299 1.00 0.00 WT2 H ATOM 34897 OH2 TIP3 8379 30.456 26.165 2.969 1.00 0.00 WT2 O ATOM 34898 H1 TIP3 8379 30.539 26.445 2.057 1.00 0.00 WT2 H ATOM 34899 H2 TIP3 8379 29.556 25.848 3.042 1.00 0.00 WT2 H ATOM 34900 OH2 TIP3 8380 76.051 30.762 58.061 1.00 0.00 WT2 O ATOM 34901 H1 TIP3 8380 76.528 30.983 58.861 1.00 0.00 WT2 H ATOM 34902 H2 TIP3 8380 75.175 30.523 58.361 1.00 0.00 WT2 H ATOM 34903 OH2 TIP3 8381 82.800 21.046 31.835 1.00 0.00 WT2 O ATOM 34904 H1 TIP3 8381 83.021 21.687 31.159 1.00 0.00 WT2 H ATOM 34905 H2 TIP3 8381 82.818 20.203 31.382 1.00 0.00 WT2 H ATOM 34906 OH2 TIP3 8382 40.349 24.681 -9.555 1.00 0.00 WT2 O ATOM 34907 H1 TIP3 8382 40.931 25.107 -10.184 1.00 0.00 WT2 H ATOM 34908 H2 TIP3 8382 40.938 24.222 -8.956 1.00 0.00 WT2 H ATOM 34909 OH2 TIP3 8383 60.367 57.492 0.329 1.00 0.00 WT2 O ATOM 34910 H1 TIP3 8383 59.952 58.092 -0.292 1.00 0.00 WT2 H ATOM 34911 H2 TIP3 8383 59.641 57.137 0.841 1.00 0.00 WT2 H ATOM 34912 OH2 TIP3 8384 55.810 18.588 34.187 1.00 0.00 WT2 O ATOM 34913 H1 TIP3 8384 56.555 17.987 34.195 1.00 0.00 WT2 H ATOM 34914 H2 TIP3 8384 55.294 18.321 33.426 1.00 0.00 WT2 H ATOM 34915 OH2 TIP3 8385 73.868 46.165 0.243 1.00 0.00 WT2 O ATOM 34916 H1 TIP3 8385 74.484 46.691 -0.268 1.00 0.00 WT2 H ATOM 34917 H2 TIP3 8385 73.140 45.998 -0.355 1.00 0.00 WT2 H ATOM 34918 OH2 TIP3 8386 78.554 21.855 -5.885 1.00 0.00 WT2 O ATOM 34919 H1 TIP3 8386 79.183 21.585 -5.216 1.00 0.00 WT2 H ATOM 34920 H2 TIP3 8386 77.817 22.213 -5.390 1.00 0.00 WT2 H ATOM 34921 OH2 TIP3 8388 38.849 23.870 3.156 1.00 0.00 WT2 O ATOM 34922 H1 TIP3 8388 38.178 24.465 3.492 1.00 0.00 WT2 H ATOM 34923 H2 TIP3 8388 39.677 24.308 3.350 1.00 0.00 WT2 H ATOM 34924 OH2 TIP3 8389 65.881 26.637 -11.508 1.00 0.00 WT2 O ATOM 34925 H1 TIP3 8389 66.580 25.983 -11.484 1.00 0.00 WT2 H ATOM 34926 H2 TIP3 8389 66.332 27.475 -11.410 1.00 0.00 WT2 H ATOM 34927 OH2 TIP3 8390 81.077 76.465 22.646 1.00 0.00 WT2 O ATOM 34928 H1 TIP3 8390 81.976 76.154 22.755 1.00 0.00 WT2 H ATOM 34929 H2 TIP3 8390 80.645 76.246 23.471 1.00 0.00 WT2 H ATOM 34930 OH2 TIP3 8403 38.209 79.192 59.553 1.00 0.00 WT2 O ATOM 34931 H1 TIP3 8403 38.613 78.408 59.183 1.00 0.00 WT2 H ATOM 34932 H2 TIP3 8403 37.944 79.708 58.792 1.00 0.00 WT2 H ATOM 34933 OH2 TIP3 8405 37.838 78.846 30.944 1.00 0.00 WT2 O ATOM 34934 H1 TIP3 8405 38.430 79.216 31.598 1.00 0.00 WT2 H ATOM 34935 H2 TIP3 8405 37.664 77.957 31.253 1.00 0.00 WT2 H ATOM 34936 OH2 TIP3 8411 23.747 16.401 52.039 1.00 0.00 WT2 O ATOM 34937 H1 TIP3 8411 22.966 15.854 51.952 1.00 0.00 WT2 H ATOM 34938 H2 TIP3 8411 23.863 16.794 51.174 1.00 0.00 WT2 H ATOM 34939 OH2 TIP3 8425 51.226 0.368 63.672 1.00 0.00 WT2 O ATOM 34940 H1 TIP3 8425 51.771 0.816 63.026 1.00 0.00 WT2 H ATOM 34941 H2 TIP3 8425 50.449 0.922 63.756 1.00 0.00 WT2 H ATOM 34942 OH2 TIP3 8427 58.823 19.121 -10.386 1.00 0.00 WT2 O ATOM 34943 H1 TIP3 8427 58.679 18.784 -9.502 1.00 0.00 WT2 H ATOM 34944 H2 TIP3 8427 59.729 18.889 -10.588 1.00 0.00 WT2 H ATOM 34945 OH2 TIP3 8428 69.170 61.598 27.852 1.00 0.00 WT2 O ATOM 34946 H1 TIP3 8428 69.137 61.275 26.951 1.00 0.00 WT2 H ATOM 34947 H2 TIP3 8428 68.267 61.845 28.052 1.00 0.00 WT2 H ATOM 34948 OH2 TIP3 8431 81.814 52.361 30.159 1.00 0.00 WT2 O ATOM 34949 H1 TIP3 8431 81.443 53.104 30.635 1.00 0.00 WT2 H ATOM 34950 H2 TIP3 8431 81.500 51.591 30.633 1.00 0.00 WT2 H ATOM 34951 OH2 TIP3 8441 60.976 43.465 46.758 1.00 0.00 WT2 O ATOM 34952 H1 TIP3 8441 61.055 44.300 46.298 1.00 0.00 WT2 H ATOM 34953 H2 TIP3 8441 61.248 42.810 46.116 1.00 0.00 WT2 H ATOM 34954 OH2 TIP3 8442 20.873 8.053 33.300 1.00 0.00 WT2 O ATOM 34955 H1 TIP3 8442 21.167 8.898 33.642 1.00 0.00 WT2 H ATOM 34956 H2 TIP3 8442 20.787 8.194 32.357 1.00 0.00 WT2 H ATOM 34957 OH2 TIP3 8444 77.161 11.975 65.205 1.00 0.00 WT2 O ATOM 34958 H1 TIP3 8444 77.962 11.504 65.434 1.00 0.00 WT2 H ATOM 34959 H2 TIP3 8444 77.182 12.033 64.250 1.00 0.00 WT2 H ATOM 34960 OH2 TIP3 8445 30.040 66.068 47.678 1.00 0.00 WT2 O ATOM 34961 H1 TIP3 8445 30.844 65.589 47.879 1.00 0.00 WT2 H ATOM 34962 H2 TIP3 8445 30.141 66.335 46.765 1.00 0.00 WT2 H ATOM 34963 OH2 TIP3 8446 29.283 2.064 65.660 1.00 0.00 WT2 O ATOM 34964 H1 TIP3 8446 30.227 2.117 65.514 1.00 0.00 WT2 H ATOM 34965 H2 TIP3 8446 29.128 1.150 65.898 1.00 0.00 WT2 H ATOM 34966 OH2 TIP3 8449 41.557 17.342 22.006 1.00 0.00 WT2 O ATOM 34967 H1 TIP3 8449 41.769 17.462 21.080 1.00 0.00 WT2 H ATOM 34968 H2 TIP3 8449 42.312 17.701 22.473 1.00 0.00 WT2 H ATOM 34969 OH2 TIP3 8455 34.747 94.691 53.867 1.00 0.00 WT2 O ATOM 34970 H1 TIP3 8455 35.240 94.680 54.688 1.00 0.00 WT2 H ATOM 34971 H2 TIP3 8455 35.231 95.297 53.306 1.00 0.00 WT2 H ATOM 34972 OH2 TIP3 8462 48.599 31.120 45.030 1.00 0.00 WT2 O ATOM 34973 H1 TIP3 8462 48.101 31.591 44.362 1.00 0.00 WT2 H ATOM 34974 H2 TIP3 8462 49.167 31.784 45.420 1.00 0.00 WT2 H ATOM 34975 OH2 TIP3 8463 80.611 11.864 -18.786 1.00 0.00 WT2 O ATOM 34976 H1 TIP3 8463 80.372 11.379 -19.576 1.00 0.00 WT2 H ATOM 34977 H2 TIP3 8463 80.297 11.318 -18.065 1.00 0.00 WT2 H ATOM 34978 OH2 TIP3 8465 28.988 25.494 50.555 1.00 0.00 WT2 O ATOM 34979 H1 TIP3 8465 29.723 25.407 49.949 1.00 0.00 WT2 H ATOM 34980 H2 TIP3 8465 28.274 25.840 50.018 1.00 0.00 WT2 H ATOM 34981 OH2 TIP3 8466 83.476 6.103 63.722 1.00 0.00 WT2 O ATOM 34982 H1 TIP3 8466 82.960 6.694 64.271 1.00 0.00 WT2 H ATOM 34983 H2 TIP3 8466 84.345 6.503 63.689 1.00 0.00 WT2 H ATOM 34984 OH2 TIP3 8468 59.253 53.552 -6.802 1.00 0.00 WT2 O ATOM 34985 H1 TIP3 8468 59.191 54.146 -6.054 1.00 0.00 WT2 H ATOM 34986 H2 TIP3 8468 58.388 53.146 -6.858 1.00 0.00 WT2 H ATOM 34987 OH2 TIP3 8471 42.129 63.956 -10.230 1.00 0.00 WT2 O ATOM 34988 H1 TIP3 8471 42.048 64.461 -11.039 1.00 0.00 WT2 H ATOM 34989 H2 TIP3 8471 41.532 64.386 -9.618 1.00 0.00 WT2 H ATOM 34990 OH2 TIP3 8486 68.563 20.702 -1.535 1.00 0.00 WT2 O ATOM 34991 H1 TIP3 8486 68.326 19.894 -1.082 1.00 0.00 WT2 H ATOM 34992 H2 TIP3 8486 69.367 20.992 -1.104 1.00 0.00 WT2 H ATOM 34993 OH2 TIP3 8487 51.224 15.259 -3.113 1.00 0.00 WT2 O ATOM 34994 H1 TIP3 8487 51.663 15.999 -3.532 1.00 0.00 WT2 H ATOM 34995 H2 TIP3 8487 51.732 15.097 -2.319 1.00 0.00 WT2 H ATOM 34996 OH2 TIP3 8488 48.495 51.331 44.790 1.00 0.00 WT2 O ATOM 34997 H1 TIP3 8488 49.114 51.168 44.078 1.00 0.00 WT2 H ATOM 34998 H2 TIP3 8488 47.869 51.957 44.426 1.00 0.00 WT2 H ATOM 34999 OH2 TIP3 8489 84.000 4.204 -1.858 1.00 0.00 WT2 O ATOM 35000 H1 TIP3 8489 84.633 4.095 -1.148 1.00 0.00 WT2 H ATOM 35001 H2 TIP3 8489 84.251 5.025 -2.280 1.00 0.00 WT2 H ATOM 35002 OH2 TIP3 8490 65.450 92.735 -9.918 1.00 0.00 WT2 O ATOM 35003 H1 TIP3 8490 65.440 92.528 -10.853 1.00 0.00 WT2 H ATOM 35004 H2 TIP3 8490 65.977 93.531 -9.853 1.00 0.00 WT2 H ATOM 35005 OH2 TIP3 8493 70.929 57.326 -7.076 1.00 0.00 WT2 O ATOM 35006 H1 TIP3 8493 71.688 57.089 -7.608 1.00 0.00 WT2 H ATOM 35007 H2 TIP3 8493 70.825 56.595 -6.467 1.00 0.00 WT2 H ATOM 35008 OH2 TIP3 8504 88.133 59.040 -3.674 1.00 0.00 WT2 O ATOM 35009 H1 TIP3 8504 87.865 58.407 -3.008 1.00 0.00 WT2 H ATOM 35010 H2 TIP3 8504 87.998 59.893 -3.262 1.00 0.00 WT2 H ATOM 35011 OH2 TIP3 8505 50.190 44.706 -6.047 1.00 0.00 WT2 O ATOM 35012 H1 TIP3 8505 50.193 44.221 -6.872 1.00 0.00 WT2 H ATOM 35013 H2 TIP3 8505 50.073 45.620 -6.306 1.00 0.00 WT2 H ATOM 35014 OH2 TIP3 8506 55.494 47.097 1.721 1.00 0.00 WT2 O ATOM 35015 H1 TIP3 8506 55.857 47.670 2.396 1.00 0.00 WT2 H ATOM 35016 H2 TIP3 8506 55.005 46.432 2.207 1.00 0.00 WT2 H ATOM 35017 OH2 TIP3 8507 40.799 39.893 66.755 1.00 0.00 WT2 O ATOM 35018 H1 TIP3 8507 40.673 40.625 66.152 1.00 0.00 WT2 H ATOM 35019 H2 TIP3 8507 40.135 39.253 66.497 1.00 0.00 WT2 H ATOM 35020 OH2 TIP3 8508 43.316 39.484 41.636 1.00 0.00 WT2 O ATOM 35021 H1 TIP3 8508 42.481 39.874 41.895 1.00 0.00 WT2 H ATOM 35022 H2 TIP3 8508 43.865 40.231 41.395 1.00 0.00 WT2 H ATOM 35023 OH2 TIP3 8509 32.481 80.808 38.622 1.00 0.00 WT2 O ATOM 35024 H1 TIP3 8509 33.147 80.311 39.098 1.00 0.00 WT2 H ATOM 35025 H2 TIP3 8509 31.970 81.241 39.306 1.00 0.00 WT2 H ATOM 35026 OH2 TIP3 8513 51.281 10.433 -9.673 1.00 0.00 WT2 O ATOM 35027 H1 TIP3 8513 51.161 10.795 -8.795 1.00 0.00 WT2 H ATOM 35028 H2 TIP3 8513 51.111 11.168 -10.262 1.00 0.00 WT2 H ATOM 35029 OH2 TIP3 8515 53.342 1.317 42.832 1.00 0.00 WT2 O ATOM 35030 H1 TIP3 8515 53.025 2.102 42.385 1.00 0.00 WT2 H ATOM 35031 H2 TIP3 8515 53.193 0.608 42.206 1.00 0.00 WT2 H ATOM 35032 OH2 TIP3 8516 53.815 7.958 -14.509 1.00 0.00 WT2 O ATOM 35033 H1 TIP3 8516 54.587 8.493 -14.695 1.00 0.00 WT2 H ATOM 35034 H2 TIP3 8516 54.020 7.103 -14.887 1.00 0.00 WT2 H ATOM 35035 OH2 TIP3 8528 75.034 39.605 23.943 1.00 0.00 WT2 O ATOM 35036 H1 TIP3 8528 74.523 40.381 23.715 1.00 0.00 WT2 H ATOM 35037 H2 TIP3 8528 74.770 38.946 23.301 1.00 0.00 WT2 H ATOM 35038 OH2 TIP3 8529 79.518 38.755 56.425 1.00 0.00 WT2 O ATOM 35039 H1 TIP3 8529 80.057 38.271 57.050 1.00 0.00 WT2 H ATOM 35040 H2 TIP3 8529 79.895 39.635 56.414 1.00 0.00 WT2 H ATOM 35041 OH2 TIP3 8530 77.976 71.542 -0.652 1.00 0.00 WT2 O ATOM 35042 H1 TIP3 8530 78.046 70.781 -0.076 1.00 0.00 WT2 H ATOM 35043 H2 TIP3 8530 77.195 72.004 -0.347 1.00 0.00 WT2 H ATOM 35044 OH2 TIP3 8531 36.139 54.906 -10.484 1.00 0.00 WT2 O ATOM 35045 H1 TIP3 8531 36.810 55.526 -10.198 1.00 0.00 WT2 H ATOM 35046 H2 TIP3 8531 35.724 54.610 -9.674 1.00 0.00 WT2 H ATOM 35047 OH2 TIP3 8532 76.335 48.127 -12.204 1.00 0.00 WT2 O ATOM 35048 H1 TIP3 8532 76.825 47.508 -12.746 1.00 0.00 WT2 H ATOM 35049 H2 TIP3 8532 76.832 48.177 -11.388 1.00 0.00 WT2 H ATOM 35050 OH2 TIP3 8533 58.062 23.508 24.732 1.00 0.00 WT2 O ATOM 35051 H1 TIP3 8533 57.445 23.525 24.000 1.00 0.00 WT2 H ATOM 35052 H2 TIP3 8533 58.532 24.339 24.668 1.00 0.00 WT2 H ATOM 35053 OH2 TIP3 8534 23.490 88.372 58.114 1.00 0.00 WT2 O ATOM 35054 H1 TIP3 8534 22.598 88.387 57.767 1.00 0.00 WT2 H ATOM 35055 H2 TIP3 8534 23.749 89.293 58.149 1.00 0.00 WT2 H ATOM 35056 OH2 TIP3 8535 74.265 54.160 60.659 1.00 0.00 WT2 O ATOM 35057 H1 TIP3 8535 74.752 54.232 59.838 1.00 0.00 WT2 H ATOM 35058 H2 TIP3 8535 73.695 54.930 60.668 1.00 0.00 WT2 H ATOM 35059 OH2 TIP3 8536 71.647 84.782 8.602 1.00 0.00 WT2 O ATOM 35060 H1 TIP3 8536 71.025 85.240 8.036 1.00 0.00 WT2 H ATOM 35061 H2 TIP3 8536 72.219 85.473 8.936 1.00 0.00 WT2 H ATOM 35062 OH2 TIP3 8539 67.881 57.145 -17.620 1.00 0.00 WT2 O ATOM 35063 H1 TIP3 8539 67.010 57.513 -17.470 1.00 0.00 WT2 H ATOM 35064 H2 TIP3 8539 67.926 57.014 -18.567 1.00 0.00 WT2 H ATOM 35065 OH2 TIP3 8543 60.490 42.714 56.021 1.00 0.00 WT2 O ATOM 35066 H1 TIP3 8543 59.579 42.844 55.755 1.00 0.00 WT2 H ATOM 35067 H2 TIP3 8543 60.576 43.214 56.833 1.00 0.00 WT2 H ATOM 35068 OH2 TIP3 8548 21.496 11.166 39.452 1.00 0.00 WT2 O ATOM 35069 H1 TIP3 8548 22.240 11.486 39.962 1.00 0.00 WT2 H ATOM 35070 H2 TIP3 8548 21.803 11.175 38.546 1.00 0.00 WT2 H ATOM 35071 OH2 TIP3 8549 51.751 15.215 42.599 1.00 0.00 WT2 O ATOM 35072 H1 TIP3 8549 51.233 15.909 42.191 1.00 0.00 WT2 H ATOM 35073 H2 TIP3 8549 51.210 14.907 43.326 1.00 0.00 WT2 H ATOM 35074 OH2 TIP3 8550 42.508 80.176 24.334 1.00 0.00 WT2 O ATOM 35075 H1 TIP3 8550 42.360 79.423 24.907 1.00 0.00 WT2 H ATOM 35076 H2 TIP3 8550 42.512 79.807 23.451 1.00 0.00 WT2 H ATOM 35077 OH2 TIP3 8551 31.445 95.408 39.392 1.00 0.00 WT2 O ATOM 35078 H1 TIP3 8551 32.251 95.891 39.207 1.00 0.00 WT2 H ATOM 35079 H2 TIP3 8551 31.744 94.552 39.699 1.00 0.00 WT2 H ATOM 35080 OH2 TIP3 8553 32.009 4.992 57.768 1.00 0.00 WT2 O ATOM 35081 H1 TIP3 8553 31.786 4.144 58.153 1.00 0.00 WT2 H ATOM 35082 H2 TIP3 8553 32.594 5.399 58.407 1.00 0.00 WT2 H ATOM 35083 OH2 TIP3 8554 68.510 36.719 59.368 1.00 0.00 WT2 O ATOM 35084 H1 TIP3 8554 68.465 37.485 59.940 1.00 0.00 WT2 H ATOM 35085 H2 TIP3 8554 67.760 36.814 58.781 1.00 0.00 WT2 H ATOM 35086 OH2 TIP3 8556 35.005 24.291 35.959 1.00 0.00 WT2 O ATOM 35087 H1 TIP3 8556 34.602 24.895 35.335 1.00 0.00 WT2 H ATOM 35088 H2 TIP3 8556 34.424 24.309 36.720 1.00 0.00 WT2 H ATOM 35089 OH2 TIP3 8558 72.742 49.058 64.606 1.00 0.00 WT2 O ATOM 35090 H1 TIP3 8558 71.855 49.234 64.920 1.00 0.00 WT2 H ATOM 35091 H2 TIP3 8558 73.008 49.869 64.172 1.00 0.00 WT2 H ATOM 35092 OH2 TIP3 8571 20.877 64.123 -12.422 1.00 0.00 WT2 O ATOM 35093 H1 TIP3 8571 21.716 63.734 -12.669 1.00 0.00 WT2 H ATOM 35094 H2 TIP3 8571 20.369 64.137 -13.233 1.00 0.00 WT2 H ATOM 35095 OH2 TIP3 8572 80.043 25.553 13.790 1.00 0.00 WT2 O ATOM 35096 H1 TIP3 8572 79.497 26.257 14.142 1.00 0.00 WT2 H ATOM 35097 H2 TIP3 8572 79.571 24.750 14.012 1.00 0.00 WT2 H ATOM 35098 OH2 TIP3 8573 48.746 25.035 31.054 1.00 0.00 WT2 O ATOM 35099 H1 TIP3 8573 48.277 25.843 31.262 1.00 0.00 WT2 H ATOM 35100 H2 TIP3 8573 48.393 24.764 30.206 1.00 0.00 WT2 H ATOM 35101 OH2 TIP3 8574 52.513 24.931 38.707 1.00 0.00 WT2 O ATOM 35102 H1 TIP3 8574 51.666 25.038 38.274 1.00 0.00 WT2 H ATOM 35103 H2 TIP3 8574 53.141 25.339 38.110 1.00 0.00 WT2 H ATOM 35104 OH2 TIP3 8576 25.896 61.187 24.979 1.00 0.00 WT2 O ATOM 35105 H1 TIP3 8576 26.637 61.327 24.389 1.00 0.00 WT2 H ATOM 35106 H2 TIP3 8576 26.209 60.538 25.608 1.00 0.00 WT2 H ATOM 35107 OH2 TIP3 8589 52.977 51.666 -18.685 1.00 0.00 WT2 O ATOM 35108 H1 TIP3 8589 53.532 50.941 -18.397 1.00 0.00 WT2 H ATOM 35109 H2 TIP3 8589 52.377 51.272 -19.319 1.00 0.00 WT2 H ATOM 35110 OH2 TIP3 8590 78.486 89.501 35.141 1.00 0.00 WT2 O ATOM 35111 H1 TIP3 8590 78.385 90.412 34.867 1.00 0.00 WT2 H ATOM 35112 H2 TIP3 8590 77.916 89.007 34.552 1.00 0.00 WT2 H ATOM 35113 OH2 TIP3 8592 72.976 70.636 45.988 1.00 0.00 WT2 O ATOM 35114 H1 TIP3 8592 73.203 69.810 45.561 1.00 0.00 WT2 H ATOM 35115 H2 TIP3 8592 73.692 70.793 46.604 1.00 0.00 WT2 H ATOM 35116 OH2 TIP3 8593 86.855 35.988 40.788 1.00 0.00 WT2 O ATOM 35117 H1 TIP3 8593 86.294 35.980 40.012 1.00 0.00 WT2 H ATOM 35118 H2 TIP3 8593 87.683 35.613 40.489 1.00 0.00 WT2 H ATOM 35119 OH2 TIP3 8594 67.627 5.267 17.799 1.00 0.00 WT2 O ATOM 35120 H1 TIP3 8594 67.706 6.142 17.418 1.00 0.00 WT2 H ATOM 35121 H2 TIP3 8594 67.751 5.402 18.739 1.00 0.00 WT2 H ATOM 35122 OH2 TIP3 8611 32.430 12.170 24.874 1.00 0.00 WT2 O ATOM 35123 H1 TIP3 8611 33.060 11.996 24.175 1.00 0.00 WT2 H ATOM 35124 H2 TIP3 8611 32.111 13.054 24.695 1.00 0.00 WT2 H ATOM 35125 OH2 TIP3 8613 76.973 88.746 4.100 1.00 0.00 WT2 O ATOM 35126 H1 TIP3 8613 77.342 89.565 3.772 1.00 0.00 WT2 H ATOM 35127 H2 TIP3 8613 76.100 88.984 4.412 1.00 0.00 WT2 H ATOM 35128 OH2 TIP3 8616 71.078 64.384 0.945 1.00 0.00 WT2 O ATOM 35129 H1 TIP3 8616 70.511 64.893 1.523 1.00 0.00 WT2 H ATOM 35130 H2 TIP3 8616 70.908 63.472 1.183 1.00 0.00 WT2 H ATOM 35131 OH2 TIP3 8617 71.540 42.351 58.041 1.00 0.00 WT2 O ATOM 35132 H1 TIP3 8617 70.910 41.944 57.447 1.00 0.00 WT2 H ATOM 35133 H2 TIP3 8617 71.979 43.014 57.508 1.00 0.00 WT2 H ATOM 35134 OH2 TIP3 8618 81.216 17.249 58.947 1.00 0.00 WT2 O ATOM 35135 H1 TIP3 8618 81.932 17.808 59.250 1.00 0.00 WT2 H ATOM 35136 H2 TIP3 8618 81.623 16.666 58.306 1.00 0.00 WT2 H ATOM 35137 OH2 TIP3 8619 88.459 29.668 45.349 1.00 0.00 WT2 O ATOM 35138 H1 TIP3 8619 88.438 28.781 44.988 1.00 0.00 WT2 H ATOM 35139 H2 TIP3 8619 87.571 29.815 45.675 1.00 0.00 WT2 H ATOM 35140 OH2 TIP3 8631 81.366 42.722 52.885 1.00 0.00 WT2 O ATOM 35141 H1 TIP3 8631 81.471 42.878 51.947 1.00 0.00 WT2 H ATOM 35142 H2 TIP3 8631 80.450 42.466 52.986 1.00 0.00 WT2 H ATOM 35143 OH2 TIP3 8632 68.543 42.598 46.746 1.00 0.00 WT2 O ATOM 35144 H1 TIP3 8632 68.265 41.942 46.107 1.00 0.00 WT2 H ATOM 35145 H2 TIP3 8632 69.072 43.216 46.242 1.00 0.00 WT2 H ATOM 35146 OH2 TIP3 8633 52.100 18.377 58.328 1.00 0.00 WT2 O ATOM 35147 H1 TIP3 8633 52.275 19.143 57.781 1.00 0.00 WT2 H ATOM 35148 H2 TIP3 8633 51.201 18.501 58.633 1.00 0.00 WT2 H ATOM 35149 OH2 TIP3 8634 80.468 20.961 39.727 1.00 0.00 WT2 O ATOM 35150 H1 TIP3 8634 80.737 21.863 39.905 1.00 0.00 WT2 H ATOM 35151 H2 TIP3 8634 81.248 20.547 39.356 1.00 0.00 WT2 H ATOM 35152 OH2 TIP3 8636 60.178 49.641 55.753 1.00 0.00 WT2 O ATOM 35153 H1 TIP3 8636 60.171 49.067 54.987 1.00 0.00 WT2 H ATOM 35154 H2 TIP3 8636 59.446 50.241 55.610 1.00 0.00 WT2 H ATOM 35155 OH2 TIP3 8638 28.883 31.009 54.563 1.00 0.00 WT2 O ATOM 35156 H1 TIP3 8638 28.217 31.505 54.087 1.00 0.00 WT2 H ATOM 35157 H2 TIP3 8638 29.292 31.650 55.144 1.00 0.00 WT2 H ATOM 35158 OH2 TIP3 8640 65.238 22.552 40.431 1.00 0.00 WT2 O ATOM 35159 H1 TIP3 8640 65.820 22.636 41.186 1.00 0.00 WT2 H ATOM 35160 H2 TIP3 8640 64.647 21.836 40.663 1.00 0.00 WT2 H ATOM 35161 OH2 TIP3 8653 26.903 37.759 17.674 1.00 0.00 WT2 O ATOM 35162 H1 TIP3 8653 26.610 38.667 17.591 1.00 0.00 WT2 H ATOM 35163 H2 TIP3 8653 26.197 37.243 17.286 1.00 0.00 WT2 H ATOM 35164 OH2 TIP3 8654 72.523 56.369 -9.090 1.00 0.00 WT2 O ATOM 35165 H1 TIP3 8654 72.553 55.634 -9.702 1.00 0.00 WT2 H ATOM 35166 H2 TIP3 8654 73.237 56.198 -8.476 1.00 0.00 WT2 H ATOM 35167 OH2 TIP3 8655 88.748 71.203 33.232 1.00 0.00 WT2 O ATOM 35168 H1 TIP3 8655 89.459 70.815 32.722 1.00 0.00 WT2 H ATOM 35169 H2 TIP3 8655 87.950 70.886 32.809 1.00 0.00 WT2 H ATOM 35170 OH2 TIP3 8656 86.181 13.270 -14.799 1.00 0.00 WT2 O ATOM 35171 H1 TIP3 8656 85.336 13.598 -14.490 1.00 0.00 WT2 H ATOM 35172 H2 TIP3 8656 86.721 13.217 -14.011 1.00 0.00 WT2 H ATOM 35173 OH2 TIP3 8657 30.639 39.042 38.902 1.00 0.00 WT2 O ATOM 35174 H1 TIP3 8657 31.044 39.264 38.064 1.00 0.00 WT2 H ATOM 35175 H2 TIP3 8657 29.726 39.314 38.807 1.00 0.00 WT2 H ATOM 35176 OH2 TIP3 8659 34.869 47.676 -19.637 1.00 0.00 WT2 O ATOM 35177 H1 TIP3 8659 34.109 47.484 -20.186 1.00 0.00 WT2 H ATOM 35178 H2 TIP3 8659 34.839 47.014 -18.946 1.00 0.00 WT2 H ATOM 35179 OH2 TIP3 8660 57.794 59.878 46.506 1.00 0.00 WT2 O ATOM 35180 H1 TIP3 8660 56.990 59.397 46.306 1.00 0.00 WT2 H ATOM 35181 H2 TIP3 8660 58.306 59.275 47.044 1.00 0.00 WT2 H ATOM 35182 OH2 TIP3 8662 85.948 51.862 -1.484 1.00 0.00 WT2 O ATOM 35183 H1 TIP3 8662 86.211 52.687 -1.076 1.00 0.00 WT2 H ATOM 35184 H2 TIP3 8662 86.560 51.747 -2.211 1.00 0.00 WT2 H ATOM 35185 OH2 TIP3 8675 64.991 57.891 51.242 1.00 0.00 WT2 O ATOM 35186 H1 TIP3 8675 65.370 58.247 50.438 1.00 0.00 WT2 H ATOM 35187 H2 TIP3 8675 64.612 57.053 50.978 1.00 0.00 WT2 H ATOM 35188 OH2 TIP3 8676 70.630 86.667 -12.342 1.00 0.00 WT2 O ATOM 35189 H1 TIP3 8676 70.531 85.989 -13.010 1.00 0.00 WT2 H ATOM 35190 H2 TIP3 8676 69.821 86.622 -11.832 1.00 0.00 WT2 H ATOM 35191 OH2 TIP3 8677 34.855 60.523 -16.158 1.00 0.00 WT2 O ATOM 35192 H1 TIP3 8677 35.231 61.074 -16.844 1.00 0.00 WT2 H ATOM 35193 H2 TIP3 8677 35.405 59.739 -16.153 1.00 0.00 WT2 H ATOM 35194 OH2 TIP3 8678 50.087 36.117 -17.544 1.00 0.00 WT2 O ATOM 35195 H1 TIP3 8678 50.993 35.884 -17.748 1.00 0.00 WT2 H ATOM 35196 H2 TIP3 8678 49.561 35.564 -18.121 1.00 0.00 WT2 H ATOM 35197 OH2 TIP3 8679 21.732 46.209 42.910 1.00 0.00 WT2 O ATOM 35198 H1 TIP3 8679 20.883 46.077 43.333 1.00 0.00 WT2 H ATOM 35199 H2 TIP3 8679 21.547 46.799 42.180 1.00 0.00 WT2 H ATOM 35200 OH2 TIP3 8681 37.011 93.013 -4.159 1.00 0.00 WT2 O ATOM 35201 H1 TIP3 8681 36.882 92.624 -5.024 1.00 0.00 WT2 H ATOM 35202 H2 TIP3 8681 36.125 93.191 -3.842 1.00 0.00 WT2 H ATOM 35203 OH2 TIP3 8682 40.474 32.072 -2.859 1.00 0.00 WT2 O ATOM 35204 H1 TIP3 8682 39.634 31.764 -2.518 1.00 0.00 WT2 H ATOM 35205 H2 TIP3 8682 41.015 31.284 -2.914 1.00 0.00 WT2 H ATOM 35206 OH2 TIP3 8683 23.761 11.980 40.932 1.00 0.00 WT2 O ATOM 35207 H1 TIP3 8683 24.380 12.709 40.893 1.00 0.00 WT2 H ATOM 35208 H2 TIP3 8683 24.261 11.261 41.317 1.00 0.00 WT2 H ATOM 35209 OH2 TIP3 8684 81.221 28.188 58.058 1.00 0.00 WT2 O ATOM 35210 H1 TIP3 8684 81.103 28.991 57.551 1.00 0.00 WT2 H ATOM 35211 H2 TIP3 8684 80.918 27.490 57.477 1.00 0.00 WT2 H ATOM 35212 OH2 TIP3 8691 67.338 2.826 -4.223 1.00 0.00 WT2 O ATOM 35213 H1 TIP3 8691 67.618 3.344 -4.977 1.00 0.00 WT2 H ATOM 35214 H2 TIP3 8691 68.153 2.531 -3.818 1.00 0.00 WT2 H ATOM 35215 OH2 TIP3 8694 26.851 77.073 4.487 1.00 0.00 WT2 O ATOM 35216 H1 TIP3 8694 27.334 76.383 4.031 1.00 0.00 WT2 H ATOM 35217 H2 TIP3 8694 27.518 77.717 4.724 1.00 0.00 WT2 H ATOM 35218 OH2 TIP3 8695 72.265 37.750 21.221 1.00 0.00 WT2 O ATOM 35219 H1 TIP3 8695 71.785 36.951 21.005 1.00 0.00 WT2 H ATOM 35220 H2 TIP3 8695 71.801 38.444 20.751 1.00 0.00 WT2 H ATOM 35221 OH2 TIP3 8696 28.625 51.445 41.780 1.00 0.00 WT2 O ATOM 35222 H1 TIP3 8696 29.480 51.845 41.937 1.00 0.00 WT2 H ATOM 35223 H2 TIP3 8696 28.622 50.661 42.329 1.00 0.00 WT2 H ATOM 35224 OH2 TIP3 8697 72.091 1.073 53.382 1.00 0.00 WT2 O ATOM 35225 H1 TIP3 8697 71.647 1.581 52.703 1.00 0.00 WT2 H ATOM 35226 H2 TIP3 8697 72.969 1.451 53.430 1.00 0.00 WT2 H ATOM 35227 OH2 TIP3 8699 37.178 68.703 6.937 1.00 0.00 WT2 O ATOM 35228 H1 TIP3 8699 37.528 69.306 7.593 1.00 0.00 WT2 H ATOM 35229 H2 TIP3 8699 37.271 67.837 7.334 1.00 0.00 WT2 H ATOM 35230 OH2 TIP3 8700 46.985 7.356 43.485 1.00 0.00 WT2 O ATOM 35231 H1 TIP3 8700 46.451 8.048 43.876 1.00 0.00 WT2 H ATOM 35232 H2 TIP3 8700 47.118 7.638 42.580 1.00 0.00 WT2 H ATOM 35233 OH2 TIP3 8702 75.892 41.639 65.988 1.00 0.00 WT2 O ATOM 35234 H1 TIP3 8702 76.374 41.814 65.180 1.00 0.00 WT2 H ATOM 35235 H2 TIP3 8702 75.581 42.498 66.273 1.00 0.00 WT2 H ATOM 35236 OH2 TIP3 8704 52.754 92.259 56.921 1.00 0.00 WT2 O ATOM 35237 H1 TIP3 8704 53.028 92.257 56.004 1.00 0.00 WT2 H ATOM 35238 H2 TIP3 8704 52.033 92.888 56.955 1.00 0.00 WT2 H ATOM 35239 OH2 TIP3 8715 38.266 29.502 21.628 1.00 0.00 WT2 O ATOM 35240 H1 TIP3 8715 37.760 30.147 22.122 1.00 0.00 WT2 H ATOM 35241 H2 TIP3 8715 37.654 29.167 20.973 1.00 0.00 WT2 H ATOM 35242 OH2 TIP3 8716 63.386 45.192 -6.312 1.00 0.00 WT2 O ATOM 35243 H1 TIP3 8716 63.743 45.982 -5.906 1.00 0.00 WT2 H ATOM 35244 H2 TIP3 8716 63.975 45.011 -7.044 1.00 0.00 WT2 H ATOM 35245 OH2 TIP3 8717 57.486 78.870 39.936 1.00 0.00 WT2 O ATOM 35246 H1 TIP3 8717 58.176 79.373 40.369 1.00 0.00 WT2 H ATOM 35247 H2 TIP3 8717 57.711 77.956 40.108 1.00 0.00 WT2 H ATOM 35248 OH2 TIP3 8718 68.222 52.860 30.618 1.00 0.00 WT2 O ATOM 35249 H1 TIP3 8718 67.936 53.274 29.804 1.00 0.00 WT2 H ATOM 35250 H2 TIP3 8718 68.520 51.990 30.354 1.00 0.00 WT2 H ATOM 35251 OH2 TIP3 8720 67.684 56.520 20.857 1.00 0.00 WT2 O ATOM 35252 H1 TIP3 8720 67.200 55.876 21.374 1.00 0.00 WT2 H ATOM 35253 H2 TIP3 8720 67.124 56.693 20.101 1.00 0.00 WT2 H ATOM 35254 OH2 TIP3 8721 70.157 2.707 46.706 1.00 0.00 WT2 O ATOM 35255 H1 TIP3 8721 69.715 2.051 47.245 1.00 0.00 WT2 H ATOM 35256 H2 TIP3 8721 70.566 3.300 47.336 1.00 0.00 WT2 H ATOM 35257 OH2 TIP3 8722 26.992 36.337 21.137 1.00 0.00 WT2 O ATOM 35258 H1 TIP3 8722 26.787 35.645 20.508 1.00 0.00 WT2 H ATOM 35259 H2 TIP3 8722 26.170 36.814 21.245 1.00 0.00 WT2 H ATOM 35260 OH2 TIP3 8737 64.338 88.741 50.558 1.00 0.00 WT2 O ATOM 35261 H1 TIP3 8737 64.353 88.034 49.914 1.00 0.00 WT2 H ATOM 35262 H2 TIP3 8737 64.752 89.480 50.112 1.00 0.00 WT2 H ATOM 35263 OH2 TIP3 8739 47.620 36.009 -13.827 1.00 0.00 WT2 O ATOM 35264 H1 TIP3 8739 46.735 35.720 -13.605 1.00 0.00 WT2 H ATOM 35265 H2 TIP3 8739 48.172 35.246 -13.655 1.00 0.00 WT2 H ATOM 35266 OH2 TIP3 8740 84.530 64.871 65.548 1.00 0.00 WT2 O ATOM 35267 H1 TIP3 8740 84.802 64.833 66.465 1.00 0.00 WT2 H ATOM 35268 H2 TIP3 8740 83.657 64.478 65.540 1.00 0.00 WT2 H ATOM 35269 OH2 TIP3 8741 77.048 56.217 26.008 1.00 0.00 WT2 O ATOM 35270 H1 TIP3 8741 76.261 56.373 25.486 1.00 0.00 WT2 H ATOM 35271 H2 TIP3 8741 77.288 55.311 25.815 1.00 0.00 WT2 H ATOM 35272 OH2 TIP3 8742 72.969 20.744 38.055 1.00 0.00 WT2 O ATOM 35273 H1 TIP3 8742 73.866 20.459 37.881 1.00 0.00 WT2 H ATOM 35274 H2 TIP3 8742 72.732 21.271 37.291 1.00 0.00 WT2 H ATOM 35275 OH2 TIP3 8743 24.404 1.429 30.566 1.00 0.00 WT2 O ATOM 35276 H1 TIP3 8743 23.857 0.924 31.168 1.00 0.00 WT2 H ATOM 35277 H2 TIP3 8743 24.586 2.244 31.033 1.00 0.00 WT2 H ATOM 35278 OH2 TIP3 8744 50.747 35.418 56.947 1.00 0.00 WT2 O ATOM 35279 H1 TIP3 8744 50.400 35.191 56.084 1.00 0.00 WT2 H ATOM 35280 H2 TIP3 8744 50.730 36.375 56.968 1.00 0.00 WT2 H ATOM 35281 OH2 TIP3 8746 45.679 35.451 20.325 1.00 0.00 WT2 O ATOM 35282 H1 TIP3 8746 46.229 35.204 19.582 1.00 0.00 WT2 H ATOM 35283 H2 TIP3 8746 46.277 35.888 20.931 1.00 0.00 WT2 H ATOM 35284 OH2 TIP3 8754 40.626 60.579 45.400 1.00 0.00 WT2 O ATOM 35285 H1 TIP3 8754 41.342 61.128 45.719 1.00 0.00 WT2 H ATOM 35286 H2 TIP3 8754 41.047 59.953 44.812 1.00 0.00 WT2 H ATOM 35287 OH2 TIP3 8757 63.188 49.314 34.430 1.00 0.00 WT2 O ATOM 35288 H1 TIP3 8757 62.462 48.696 34.509 1.00 0.00 WT2 H ATOM 35289 H2 TIP3 8757 62.952 49.868 33.685 1.00 0.00 WT2 H ATOM 35290 OH2 TIP3 8759 25.209 46.441 -15.792 1.00 0.00 WT2 O ATOM 35291 H1 TIP3 8759 25.962 46.498 -16.379 1.00 0.00 WT2 H ATOM 35292 H2 TIP3 8759 25.367 47.117 -15.133 1.00 0.00 WT2 H ATOM 35293 OH2 TIP3 8760 83.076 8.585 1.264 1.00 0.00 WT2 O ATOM 35294 H1 TIP3 8760 83.396 9.304 0.719 1.00 0.00 WT2 H ATOM 35295 H2 TIP3 8760 83.665 7.856 1.069 1.00 0.00 WT2 H ATOM 35296 OH2 TIP3 8761 38.036 49.124 -17.309 1.00 0.00 WT2 O ATOM 35297 H1 TIP3 8761 37.983 50.071 -17.439 1.00 0.00 WT2 H ATOM 35298 H2 TIP3 8761 38.895 48.883 -17.655 1.00 0.00 WT2 H ATOM 35299 OH2 TIP3 8763 73.213 53.552 -19.222 1.00 0.00 WT2 O ATOM 35300 H1 TIP3 8763 72.908 53.107 -18.431 1.00 0.00 WT2 H ATOM 35301 H2 TIP3 8763 73.035 54.479 -19.059 1.00 0.00 WT2 H ATOM 35302 OH2 TIP3 8764 54.158 64.548 -14.734 1.00 0.00 WT2 O ATOM 35303 H1 TIP3 8764 54.171 65.020 -13.902 1.00 0.00 WT2 H ATOM 35304 H2 TIP3 8764 53.385 64.884 -15.188 1.00 0.00 WT2 H ATOM 35305 OH2 TIP3 8767 26.946 92.442 28.878 1.00 0.00 WT2 O ATOM 35306 H1 TIP3 8767 26.295 93.135 28.989 1.00 0.00 WT2 H ATOM 35307 H2 TIP3 8767 26.871 91.913 29.672 1.00 0.00 WT2 H ATOM 35308 OH2 TIP3 8777 71.743 68.364 59.054 1.00 0.00 WT2 O ATOM 35309 H1 TIP3 8777 71.636 67.954 59.912 1.00 0.00 WT2 H ATOM 35310 H2 TIP3 8777 70.886 68.744 58.861 1.00 0.00 WT2 H ATOM 35311 OH2 TIP3 8778 49.624 90.447 26.045 1.00 0.00 WT2 O ATOM 35312 H1 TIP3 8778 49.052 90.312 26.801 1.00 0.00 WT2 H ATOM 35313 H2 TIP3 8778 50.472 90.679 26.425 1.00 0.00 WT2 H ATOM 35314 OH2 TIP3 8780 82.325 92.450 63.275 1.00 0.00 WT2 O ATOM 35315 H1 TIP3 8780 82.439 91.580 62.893 1.00 0.00 WT2 H ATOM 35316 H2 TIP3 8780 81.407 92.666 63.109 1.00 0.00 WT2 H ATOM 35317 OH2 TIP3 8783 35.962 30.841 -13.988 1.00 0.00 WT2 O ATOM 35318 H1 TIP3 8783 35.720 31.762 -14.085 1.00 0.00 WT2 H ATOM 35319 H2 TIP3 8783 35.722 30.622 -13.088 1.00 0.00 WT2 H ATOM 35320 OH2 TIP3 8785 83.871 25.262 44.685 1.00 0.00 WT2 O ATOM 35321 H1 TIP3 8785 84.277 26.011 44.250 1.00 0.00 WT2 H ATOM 35322 H2 TIP3 8785 84.444 25.078 45.430 1.00 0.00 WT2 H ATOM 35323 OH2 TIP3 8786 83.419 75.110 55.638 1.00 0.00 WT2 O ATOM 35324 H1 TIP3 8786 84.149 75.708 55.477 1.00 0.00 WT2 H ATOM 35325 H2 TIP3 8786 83.214 75.227 56.566 1.00 0.00 WT2 H ATOM 35326 OH2 TIP3 8787 46.801 8.512 4.236 1.00 0.00 WT2 O ATOM 35327 H1 TIP3 8787 46.006 8.021 4.027 1.00 0.00 WT2 H ATOM 35328 H2 TIP3 8787 47.477 8.120 3.682 1.00 0.00 WT2 H ATOM 35329 OH2 TIP3 8790 50.179 36.648 -2.719 1.00 0.00 WT2 O ATOM 35330 H1 TIP3 8790 50.033 37.119 -3.539 1.00 0.00 WT2 H ATOM 35331 H2 TIP3 8790 50.278 37.336 -2.061 1.00 0.00 WT2 H ATOM 35332 OH2 TIP3 8797 27.553 54.207 -6.911 1.00 0.00 WT2 O ATOM 35333 H1 TIP3 8797 26.966 54.947 -7.069 1.00 0.00 WT2 H ATOM 35334 H2 TIP3 8797 27.726 54.235 -5.970 1.00 0.00 WT2 H ATOM 35335 OH2 TIP3 8800 40.863 80.333 -17.283 1.00 0.00 WT2 O ATOM 35336 H1 TIP3 8800 41.110 80.920 -16.569 1.00 0.00 WT2 H ATOM 35337 H2 TIP3 8800 40.824 79.467 -16.879 1.00 0.00 WT2 H ATOM 35338 OH2 TIP3 8801 33.422 16.755 51.070 1.00 0.00 WT2 O ATOM 35339 H1 TIP3 8801 33.630 16.021 50.493 1.00 0.00 WT2 H ATOM 35340 H2 TIP3 8801 33.136 16.345 51.887 1.00 0.00 WT2 H ATOM 35341 OH2 TIP3 8802 87.195 57.297 66.002 1.00 0.00 WT2 O ATOM 35342 H1 TIP3 8802 86.638 56.638 66.416 1.00 0.00 WT2 H ATOM 35343 H2 TIP3 8802 87.334 56.969 65.114 1.00 0.00 WT2 H ATOM 35344 OH2 TIP3 8803 70.388 4.037 32.713 1.00 0.00 WT2 O ATOM 35345 H1 TIP3 8803 70.352 4.627 33.467 1.00 0.00 WT2 H ATOM 35346 H2 TIP3 8803 69.478 3.953 32.430 1.00 0.00 WT2 H ATOM 35347 OH2 TIP3 8804 60.953 77.000 65.801 1.00 0.00 WT2 O ATOM 35348 H1 TIP3 8804 61.095 76.059 65.698 1.00 0.00 WT2 H ATOM 35349 H2 TIP3 8804 60.914 77.134 66.748 1.00 0.00 WT2 H ATOM 35350 OH2 TIP3 8806 29.284 28.528 48.269 1.00 0.00 WT2 O ATOM 35351 H1 TIP3 8806 29.656 28.018 47.549 1.00 0.00 WT2 H ATOM 35352 H2 TIP3 8806 28.434 28.120 48.437 1.00 0.00 WT2 H ATOM 35353 OH2 TIP3 8808 41.655 70.712 -13.442 1.00 0.00 WT2 O ATOM 35354 H1 TIP3 8808 40.950 70.493 -12.832 1.00 0.00 WT2 H ATOM 35355 H2 TIP3 8808 42.408 70.211 -13.129 1.00 0.00 WT2 H ATOM 35356 OH2 TIP3 8809 54.408 61.069 57.111 1.00 0.00 WT2 O ATOM 35357 H1 TIP3 8809 54.826 60.274 57.443 1.00 0.00 WT2 H ATOM 35358 H2 TIP3 8809 54.684 61.120 56.195 1.00 0.00 WT2 H ATOM 35359 OH2 TIP3 8811 71.270 56.748 33.582 1.00 0.00 WT2 O ATOM 35360 H1 TIP3 8811 70.551 57.074 33.040 1.00 0.00 WT2 H ATOM 35361 H2 TIP3 8811 71.430 57.448 34.215 1.00 0.00 WT2 H ATOM 35362 OH2 TIP3 8819 30.489 35.275 -14.856 1.00 0.00 WT2 O ATOM 35363 H1 TIP3 8819 30.128 36.142 -14.670 1.00 0.00 WT2 H ATOM 35364 H2 TIP3 8819 30.970 35.041 -14.062 1.00 0.00 WT2 H ATOM 35365 OH2 TIP3 8820 45.719 16.932 21.409 1.00 0.00 WT2 O ATOM 35366 H1 TIP3 8820 45.726 17.825 21.752 1.00 0.00 WT2 H ATOM 35367 H2 TIP3 8820 45.887 17.033 20.472 1.00 0.00 WT2 H ATOM 35368 OH2 TIP3 8822 24.755 4.888 37.902 1.00 0.00 WT2 O ATOM 35369 H1 TIP3 8822 24.009 5.276 37.445 1.00 0.00 WT2 H ATOM 35370 H2 TIP3 8822 25.518 5.168 37.396 1.00 0.00 WT2 H ATOM 35371 OH2 TIP3 8823 71.079 85.069 50.358 1.00 0.00 WT2 O ATOM 35372 H1 TIP3 8823 70.889 84.147 50.184 1.00 0.00 WT2 H ATOM 35373 H2 TIP3 8823 70.219 85.476 50.465 1.00 0.00 WT2 H ATOM 35374 OH2 TIP3 8827 84.917 76.811 -13.039 1.00 0.00 WT2 O ATOM 35375 H1 TIP3 8827 84.960 77.464 -12.341 1.00 0.00 WT2 H ATOM 35376 H2 TIP3 8827 84.119 77.026 -13.521 1.00 0.00 WT2 H ATOM 35377 OH2 TIP3 8829 22.914 82.619 16.304 1.00 0.00 WT2 O ATOM 35378 H1 TIP3 8829 23.782 82.905 16.018 1.00 0.00 WT2 H ATOM 35379 H2 TIP3 8829 23.057 82.256 17.177 1.00 0.00 WT2 H ATOM 35380 OH2 TIP3 8830 20.775 14.134 -11.759 1.00 0.00 WT2 O ATOM 35381 H1 TIP3 8830 21.550 13.835 -12.234 1.00 0.00 WT2 H ATOM 35382 H2 TIP3 8830 21.021 14.993 -11.415 1.00 0.00 WT2 H ATOM 35383 OH2 TIP3 8842 43.989 11.080 33.692 1.00 0.00 WT2 O ATOM 35384 H1 TIP3 8842 43.082 10.989 33.982 1.00 0.00 WT2 H ATOM 35385 H2 TIP3 8842 44.240 10.201 33.409 1.00 0.00 WT2 H ATOM 35386 OH2 TIP3 8843 78.127 86.619 -14.637 1.00 0.00 WT2 O ATOM 35387 H1 TIP3 8843 79.068 86.444 -14.625 1.00 0.00 WT2 H ATOM 35388 H2 TIP3 8843 78.049 87.532 -14.360 1.00 0.00 WT2 H ATOM 35389 OH2 TIP3 8844 48.027 85.251 39.426 1.00 0.00 WT2 O ATOM 35390 H1 TIP3 8844 48.744 85.699 39.874 1.00 0.00 WT2 H ATOM 35391 H2 TIP3 8844 47.876 84.461 39.945 1.00 0.00 WT2 H ATOM 35392 OH2 TIP3 8845 70.952 30.359 47.528 1.00 0.00 WT2 O ATOM 35393 H1 TIP3 8845 71.284 29.689 48.125 1.00 0.00 WT2 H ATOM 35394 H2 TIP3 8845 70.381 30.903 48.072 1.00 0.00 WT2 H ATOM 35395 OH2 TIP3 8846 26.516 22.200 -14.579 1.00 0.00 WT2 O ATOM 35396 H1 TIP3 8846 25.664 22.258 -15.010 1.00 0.00 WT2 H ATOM 35397 H2 TIP3 8846 27.150 22.236 -15.295 1.00 0.00 WT2 H ATOM 35398 OH2 TIP3 8847 24.298 94.765 -9.645 1.00 0.00 WT2 O ATOM 35399 H1 TIP3 8847 24.851 95.222 -9.011 1.00 0.00 WT2 H ATOM 35400 H2 TIP3 8847 23.832 94.109 -9.127 1.00 0.00 WT2 H ATOM 35401 OH2 TIP3 8849 56.056 74.846 42.979 1.00 0.00 WT2 O ATOM 35402 H1 TIP3 8849 55.249 74.550 42.559 1.00 0.00 WT2 H ATOM 35403 H2 TIP3 8849 56.248 75.687 42.565 1.00 0.00 WT2 H ATOM 35404 OH2 TIP3 8863 67.265 81.721 60.404 1.00 0.00 WT2 O ATOM 35405 H1 TIP3 8863 66.342 81.477 60.471 1.00 0.00 WT2 H ATOM 35406 H2 TIP3 8863 67.288 82.646 60.648 1.00 0.00 WT2 H ATOM 35407 OH2 TIP3 8865 30.751 45.099 48.375 1.00 0.00 WT2 O ATOM 35408 H1 TIP3 8865 31.106 45.807 47.838 1.00 0.00 WT2 H ATOM 35409 H2 TIP3 8865 31.194 45.192 49.218 1.00 0.00 WT2 H ATOM 35410 OH2 TIP3 8866 86.079 17.562 -1.717 1.00 0.00 WT2 O ATOM 35411 H1 TIP3 8866 86.267 16.968 -2.443 1.00 0.00 WT2 H ATOM 35412 H2 TIP3 8866 85.771 18.365 -2.138 1.00 0.00 WT2 H ATOM 35413 OH2 TIP3 8867 57.457 80.938 -2.666 1.00 0.00 WT2 O ATOM 35414 H1 TIP3 8867 57.515 81.139 -1.732 1.00 0.00 WT2 H ATOM 35415 H2 TIP3 8867 58.216 80.381 -2.839 1.00 0.00 WT2 H ATOM 35416 OH2 TIP3 8868 87.066 57.916 40.393 1.00 0.00 WT2 O ATOM 35417 H1 TIP3 8868 87.183 57.334 41.144 1.00 0.00 WT2 H ATOM 35418 H2 TIP3 8868 86.251 57.622 39.986 1.00 0.00 WT2 H ATOM 35419 OH2 TIP3 8869 77.544 63.161 23.503 1.00 0.00 WT2 O ATOM 35420 H1 TIP3 8869 77.533 63.854 24.164 1.00 0.00 WT2 H ATOM 35421 H2 TIP3 8869 76.856 63.408 22.885 1.00 0.00 WT2 H ATOM 35422 OH2 TIP3 8883 73.199 48.829 60.268 1.00 0.00 WT2 O ATOM 35423 H1 TIP3 8883 72.257 48.685 60.181 1.00 0.00 WT2 H ATOM 35424 H2 TIP3 8883 73.302 49.780 60.229 1.00 0.00 WT2 H ATOM 35425 OH2 TIP3 8884 35.609 40.562 -18.778 1.00 0.00 WT2 O ATOM 35426 H1 TIP3 8884 36.040 41.268 -18.296 1.00 0.00 WT2 H ATOM 35427 H2 TIP3 8884 36.024 39.762 -18.454 1.00 0.00 WT2 H ATOM 35428 OH2 TIP3 8885 23.796 42.646 50.713 1.00 0.00 WT2 O ATOM 35429 H1 TIP3 8885 24.534 43.188 50.992 1.00 0.00 WT2 H ATOM 35430 H2 TIP3 8885 23.964 41.791 51.109 1.00 0.00 WT2 H ATOM 35431 OH2 TIP3 8886 80.236 2.582 8.798 1.00 0.00 WT2 O ATOM 35432 H1 TIP3 8886 81.001 2.439 9.356 1.00 0.00 WT2 H ATOM 35433 H2 TIP3 8886 80.130 3.533 8.775 1.00 0.00 WT2 H ATOM 35434 OH2 TIP3 8887 25.397 44.085 59.749 1.00 0.00 WT2 O ATOM 35435 H1 TIP3 8887 25.062 44.487 60.550 1.00 0.00 WT2 H ATOM 35436 H2 TIP3 8887 24.686 44.183 59.116 1.00 0.00 WT2 H ATOM 35437 OH2 TIP3 8889 68.567 63.527 -2.021 1.00 0.00 WT2 O ATOM 35438 H1 TIP3 8889 69.479 63.444 -1.741 1.00 0.00 WT2 H ATOM 35439 H2 TIP3 8889 68.182 62.671 -1.838 1.00 0.00 WT2 H ATOM 35440 OH2 TIP3 8890 76.876 16.597 -8.950 1.00 0.00 WT2 O ATOM 35441 H1 TIP3 8890 76.654 16.766 -9.866 1.00 0.00 WT2 H ATOM 35442 H2 TIP3 8890 77.010 17.466 -8.571 1.00 0.00 WT2 H ATOM 35443 OH2 TIP3 8891 88.749 78.586 7.848 1.00 0.00 WT2 O ATOM 35444 H1 TIP3 8891 87.875 78.647 7.463 1.00 0.00 WT2 H ATOM 35445 H2 TIP3 8891 88.638 78.901 8.746 1.00 0.00 WT2 H ATOM 35446 OH2 TIP3 8901 30.324 91.798 -1.585 1.00 0.00 WT2 O ATOM 35447 H1 TIP3 8901 30.523 91.030 -2.121 1.00 0.00 WT2 H ATOM 35448 H2 TIP3 8901 29.868 92.394 -2.180 1.00 0.00 WT2 H ATOM 35449 OH2 TIP3 8903 56.799 52.673 53.667 1.00 0.00 WT2 O ATOM 35450 H1 TIP3 8903 56.197 53.028 54.321 1.00 0.00 WT2 H ATOM 35451 H2 TIP3 8903 57.137 53.442 53.208 1.00 0.00 WT2 H ATOM 35452 OH2 TIP3 8905 69.223 4.105 9.036 1.00 0.00 WT2 O ATOM 35453 H1 TIP3 8905 69.392 5.014 9.283 1.00 0.00 WT2 H ATOM 35454 H2 TIP3 8905 69.019 4.144 8.102 1.00 0.00 WT2 H ATOM 35455 OH2 TIP3 8906 85.068 52.556 62.728 1.00 0.00 WT2 O ATOM 35456 H1 TIP3 8906 85.940 52.276 63.007 1.00 0.00 WT2 H ATOM 35457 H2 TIP3 8906 84.901 52.058 61.928 1.00 0.00 WT2 H ATOM 35458 OH2 TIP3 8907 66.209 10.224 55.277 1.00 0.00 WT2 O ATOM 35459 H1 TIP3 8907 65.319 10.285 55.627 1.00 0.00 WT2 H ATOM 35460 H2 TIP3 8907 66.265 10.935 54.639 1.00 0.00 WT2 H ATOM 35461 OH2 TIP3 8908 71.858 7.243 44.600 1.00 0.00 WT2 O ATOM 35462 H1 TIP3 8908 71.211 7.869 44.926 1.00 0.00 WT2 H ATOM 35463 H2 TIP3 8908 72.208 6.828 45.388 1.00 0.00 WT2 H ATOM 35464 OH2 TIP3 8909 82.831 95.653 41.238 1.00 0.00 WT2 O ATOM 35465 H1 TIP3 8909 82.985 96.069 40.390 1.00 0.00 WT2 H ATOM 35466 H2 TIP3 8909 83.438 94.913 41.256 1.00 0.00 WT2 H ATOM 35467 OH2 TIP3 8911 50.040 28.443 45.328 1.00 0.00 WT2 O ATOM 35468 H1 TIP3 8911 50.503 28.536 44.496 1.00 0.00 WT2 H ATOM 35469 H2 TIP3 8911 49.354 29.110 45.298 1.00 0.00 WT2 H ATOM 35470 OH2 TIP3 8913 38.083 87.265 32.382 1.00 0.00 WT2 O ATOM 35471 H1 TIP3 8913 37.922 86.637 33.087 1.00 0.00 WT2 H ATOM 35472 H2 TIP3 8913 38.176 86.726 31.597 1.00 0.00 WT2 H ATOM 35473 OH2 TIP3 8914 49.868 85.756 11.475 1.00 0.00 WT2 O ATOM 35474 H1 TIP3 8914 49.595 86.672 11.416 1.00 0.00 WT2 H ATOM 35475 H2 TIP3 8914 49.977 85.599 12.413 1.00 0.00 WT2 H ATOM 35476 OH2 TIP3 8925 65.852 92.889 32.562 1.00 0.00 WT2 O ATOM 35477 H1 TIP3 8925 65.061 92.475 32.907 1.00 0.00 WT2 H ATOM 35478 H2 TIP3 8925 65.675 93.828 32.616 1.00 0.00 WT2 H ATOM 35479 OH2 TIP3 8926 23.846 13.138 -15.525 1.00 0.00 WT2 O ATOM 35480 H1 TIP3 8926 23.234 12.755 -16.154 1.00 0.00 WT2 H ATOM 35481 H2 TIP3 8926 24.011 14.020 -15.857 1.00 0.00 WT2 H ATOM 35482 OH2 TIP3 8927 23.911 45.809 61.504 1.00 0.00 WT2 O ATOM 35483 H1 TIP3 8927 23.611 46.376 60.794 1.00 0.00 WT2 H ATOM 35484 H2 TIP3 8927 23.519 46.184 62.293 1.00 0.00 WT2 H ATOM 35485 OH2 TIP3 8929 59.161 20.802 62.275 1.00 0.00 WT2 O ATOM 35486 H1 TIP3 8929 59.433 20.012 62.743 1.00 0.00 WT2 H ATOM 35487 H2 TIP3 8929 58.750 20.476 61.474 1.00 0.00 WT2 H ATOM 35488 OH2 TIP3 8930 32.006 88.730 11.725 1.00 0.00 WT2 O ATOM 35489 H1 TIP3 8930 31.895 89.670 11.864 1.00 0.00 WT2 H ATOM 35490 H2 TIP3 8930 32.259 88.388 12.583 1.00 0.00 WT2 H ATOM 35491 OH2 TIP3 8931 80.328 95.544 50.801 1.00 0.00 WT2 O ATOM 35492 H1 TIP3 8931 80.124 96.479 50.821 1.00 0.00 WT2 H ATOM 35493 H2 TIP3 8931 79.481 95.111 50.910 1.00 0.00 WT2 H ATOM 35494 OH2 TIP3 8932 68.666 90.601 -5.145 1.00 0.00 WT2 O ATOM 35495 H1 TIP3 8932 68.244 91.175 -4.506 1.00 0.00 WT2 H ATOM 35496 H2 TIP3 8932 68.157 90.721 -5.947 1.00 0.00 WT2 H ATOM 35497 OH2 TIP3 8935 70.253 6.101 -9.447 1.00 0.00 WT2 O ATOM 35498 H1 TIP3 8935 70.875 5.540 -9.911 1.00 0.00 WT2 H ATOM 35499 H2 TIP3 8935 69.959 6.730 -10.107 1.00 0.00 WT2 H ATOM 35500 OH2 TIP3 8944 66.989 27.674 7.179 1.00 0.00 WT2 O ATOM 35501 H1 TIP3 8944 66.979 27.643 6.223 1.00 0.00 WT2 H ATOM 35502 H2 TIP3 8944 66.316 28.316 7.406 1.00 0.00 WT2 H ATOM 35503 OH2 TIP3 8949 75.214 34.962 15.018 1.00 0.00 WT2 O ATOM 35504 H1 TIP3 8949 75.622 34.243 15.500 1.00 0.00 WT2 H ATOM 35505 H2 TIP3 8949 75.889 35.252 14.404 1.00 0.00 WT2 H ATOM 35506 OH2 TIP3 8950 32.279 62.001 -9.163 1.00 0.00 WT2 O ATOM 35507 H1 TIP3 8950 31.787 61.852 -8.356 1.00 0.00 WT2 H ATOM 35508 H2 TIP3 8950 31.621 62.290 -9.795 1.00 0.00 WT2 H ATOM 35509 OH2 TIP3 8951 39.925 29.509 19.363 1.00 0.00 WT2 O ATOM 35510 H1 TIP3 8951 39.481 29.390 20.202 1.00 0.00 WT2 H ATOM 35511 H2 TIP3 8951 40.821 29.750 19.597 1.00 0.00 WT2 H ATOM 35512 OH2 TIP3 8953 37.884 95.243 19.208 1.00 0.00 WT2 O ATOM 35513 H1 TIP3 8953 38.597 95.649 18.716 1.00 0.00 WT2 H ATOM 35514 H2 TIP3 8953 38.319 94.632 19.803 1.00 0.00 WT2 H ATOM 35515 OH2 TIP3 8954 56.962 3.173 -15.689 1.00 0.00 WT2 O ATOM 35516 H1 TIP3 8954 56.228 3.139 -15.075 1.00 0.00 WT2 H ATOM 35517 H2 TIP3 8954 57.279 2.271 -15.736 1.00 0.00 WT2 H ATOM 35518 OH2 TIP3 8967 79.592 94.053 7.620 1.00 0.00 WT2 O ATOM 35519 H1 TIP3 8967 79.382 94.987 7.654 1.00 0.00 WT2 H ATOM 35520 H2 TIP3 8967 80.397 93.970 8.131 1.00 0.00 WT2 H ATOM 35521 OH2 TIP3 8969 79.815 8.722 63.906 1.00 0.00 WT2 O ATOM 35522 H1 TIP3 8969 80.613 8.434 63.465 1.00 0.00 WT2 H ATOM 35523 H2 TIP3 8969 79.115 8.222 63.487 1.00 0.00 WT2 H ATOM 35524 OH2 TIP3 8970 44.540 83.915 65.736 1.00 0.00 WT2 O ATOM 35525 H1 TIP3 8970 44.650 84.834 65.982 1.00 0.00 WT2 H ATOM 35526 H2 TIP3 8970 44.115 83.946 64.878 1.00 0.00 WT2 H ATOM 35527 OH2 TIP3 8972 53.981 34.904 64.278 1.00 0.00 WT2 O ATOM 35528 H1 TIP3 8972 53.824 34.444 63.454 1.00 0.00 WT2 H ATOM 35529 H2 TIP3 8972 53.877 34.232 64.952 1.00 0.00 WT2 H ATOM 35530 OH2 TIP3 8973 41.142 44.427 48.184 1.00 0.00 WT2 O ATOM 35531 H1 TIP3 8973 41.578 43.576 48.159 1.00 0.00 WT2 H ATOM 35532 H2 TIP3 8973 41.761 45.026 47.767 1.00 0.00 WT2 H ATOM 35533 OH2 TIP3 8974 90.191 50.964 62.384 1.00 0.00 WT2 O ATOM 35534 H1 TIP3 8974 91.048 51.182 62.748 1.00 0.00 WT2 H ATOM 35535 H2 TIP3 8974 90.315 50.107 61.974 1.00 0.00 WT2 H ATOM 35536 OH2 TIP3 8975 66.616 73.015 -4.714 1.00 0.00 WT2 O ATOM 35537 H1 TIP3 8975 66.519 73.944 -4.921 1.00 0.00 WT2 H ATOM 35538 H2 TIP3 8975 66.365 72.946 -3.793 1.00 0.00 WT2 H ATOM 35539 OH2 TIP3 8976 47.564 42.118 -19.314 1.00 0.00 WT2 O ATOM 35540 H1 TIP3 8976 46.839 41.910 -18.723 1.00 0.00 WT2 H ATOM 35541 H2 TIP3 8976 48.182 42.607 -18.771 1.00 0.00 WT2 H ATOM 35542 OH2 TIP3 8977 70.929 35.308 67.125 1.00 0.00 WT2 O ATOM 35543 H1 TIP3 8977 70.295 35.864 67.577 1.00 0.00 WT2 H ATOM 35544 H2 TIP3 8977 70.437 34.923 66.400 1.00 0.00 WT2 H ATOM 35545 OH2 TIP3 8978 76.091 47.704 12.962 1.00 0.00 WT2 O ATOM 35546 H1 TIP3 8978 76.002 46.959 12.368 1.00 0.00 WT2 H ATOM 35547 H2 TIP3 8978 77.036 47.807 13.079 1.00 0.00 WT2 H ATOM 35548 OH2 TIP3 8988 23.734 23.538 43.991 1.00 0.00 WT2 O ATOM 35549 H1 TIP3 8988 24.373 24.250 44.031 1.00 0.00 WT2 H ATOM 35550 H2 TIP3 8988 24.046 22.975 43.282 1.00 0.00 WT2 H ATOM 35551 OH2 TIP3 8990 31.731 54.320 6.906 1.00 0.00 WT2 O ATOM 35552 H1 TIP3 8990 31.693 53.671 7.609 1.00 0.00 WT2 H ATOM 35553 H2 TIP3 8990 32.540 54.805 7.070 1.00 0.00 WT2 H ATOM 35554 OH2 TIP3 8991 90.012 25.439 56.840 1.00 0.00 WT2 O ATOM 35555 H1 TIP3 8991 90.624 25.404 57.575 1.00 0.00 WT2 H ATOM 35556 H2 TIP3 8991 89.261 25.928 57.176 1.00 0.00 WT2 H ATOM 35557 OH2 TIP3 8992 65.715 74.521 0.433 1.00 0.00 WT2 O ATOM 35558 H1 TIP3 8992 65.650 75.463 0.277 1.00 0.00 WT2 H ATOM 35559 H2 TIP3 8992 65.594 74.425 1.378 1.00 0.00 WT2 H ATOM 35560 OH2 TIP3 8995 38.550 44.904 47.986 1.00 0.00 WT2 O ATOM 35561 H1 TIP3 8995 38.609 45.762 48.407 1.00 0.00 WT2 H ATOM 35562 H2 TIP3 8995 39.356 44.456 48.242 1.00 0.00 WT2 H ATOM 35563 OH2 TIP3 8996 79.974 64.808 19.847 1.00 0.00 WT2 O ATOM 35564 H1 TIP3 8996 80.311 65.664 19.582 1.00 0.00 WT2 H ATOM 35565 H2 TIP3 8996 79.104 64.760 19.451 1.00 0.00 WT2 H ATOM 35566 OH2 TIP3 8997 80.781 77.348 20.022 1.00 0.00 WT2 O ATOM 35567 H1 TIP3 8997 80.564 77.246 20.949 1.00 0.00 WT2 H ATOM 35568 H2 TIP3 8997 80.117 76.835 19.562 1.00 0.00 WT2 H ATOM 35569 OH2 TIP3 8999 78.454 39.237 -16.972 1.00 0.00 WT2 O ATOM 35570 H1 TIP3 8999 78.926 40.069 -16.940 1.00 0.00 WT2 H ATOM 35571 H2 TIP3 8999 77.700 39.410 -17.536 1.00 0.00 WT2 H ATOM 35572 OH2 TIP3 9008 24.235 9.173 7.612 1.00 0.00 WT2 O ATOM 35573 H1 TIP3 9008 23.444 9.264 8.144 1.00 0.00 WT2 H ATOM 35574 H2 TIP3 9008 24.805 9.883 7.907 1.00 0.00 WT2 H ATOM 35575 OH2 TIP3 9009 29.007 67.158 -13.268 1.00 0.00 WT2 O ATOM 35576 H1 TIP3 9009 29.529 66.779 -13.975 1.00 0.00 WT2 H ATOM 35577 H2 TIP3 9009 29.652 67.437 -12.618 1.00 0.00 WT2 H ATOM 35578 OH2 TIP3 9013 30.317 10.294 66.070 1.00 0.00 WT2 O ATOM 35579 H1 TIP3 9013 29.940 9.818 66.810 1.00 0.00 WT2 H ATOM 35580 H2 TIP3 9013 30.303 11.211 66.343 1.00 0.00 WT2 H ATOM 35581 OH2 TIP3 9014 57.837 60.419 63.856 1.00 0.00 WT2 O ATOM 35582 H1 TIP3 9014 57.966 59.480 63.993 1.00 0.00 WT2 H ATOM 35583 H2 TIP3 9014 57.915 60.536 62.909 1.00 0.00 WT2 H ATOM 35584 OH2 TIP3 9015 42.540 5.707 35.910 1.00 0.00 WT2 O ATOM 35585 H1 TIP3 9015 42.432 5.240 36.739 1.00 0.00 WT2 H ATOM 35586 H2 TIP3 9015 43.260 5.253 35.471 1.00 0.00 WT2 H ATOM 35587 OH2 TIP3 9016 38.545 19.823 -4.064 1.00 0.00 WT2 O ATOM 35588 H1 TIP3 9016 39.177 20.434 -3.687 1.00 0.00 WT2 H ATOM 35589 H2 TIP3 9016 37.894 20.382 -4.489 1.00 0.00 WT2 H ATOM 35590 OH2 TIP3 9019 62.102 91.705 43.442 1.00 0.00 WT2 O ATOM 35591 H1 TIP3 9019 61.556 91.243 44.078 1.00 0.00 WT2 H ATOM 35592 H2 TIP3 9019 62.742 92.177 43.975 1.00 0.00 WT2 H ATOM 35593 OH2 TIP3 9024 49.212 6.760 65.858 1.00 0.00 WT2 O ATOM 35594 H1 TIP3 9024 49.949 6.432 66.373 1.00 0.00 WT2 H ATOM 35595 H2 TIP3 9024 48.447 6.614 66.415 1.00 0.00 WT2 H ATOM 35596 OH2 TIP3 9031 65.973 51.160 19.500 1.00 0.00 WT2 O ATOM 35597 H1 TIP3 9031 65.480 51.741 18.921 1.00 0.00 WT2 H ATOM 35598 H2 TIP3 9031 66.120 50.370 18.979 1.00 0.00 WT2 H ATOM 35599 OH2 TIP3 9033 63.470 11.138 60.156 1.00 0.00 WT2 O ATOM 35600 H1 TIP3 9033 63.989 11.343 60.934 1.00 0.00 WT2 H ATOM 35601 H2 TIP3 9033 62.763 10.581 60.481 1.00 0.00 WT2 H ATOM 35602 OH2 TIP3 9034 29.577 52.625 -15.992 1.00 0.00 WT2 O ATOM 35603 H1 TIP3 9034 30.364 52.985 -15.581 1.00 0.00 WT2 H ATOM 35604 H2 TIP3 9034 29.182 53.370 -16.445 1.00 0.00 WT2 H ATOM 35605 OH2 TIP3 9035 73.007 71.219 63.380 1.00 0.00 WT2 O ATOM 35606 H1 TIP3 9035 72.134 71.439 63.706 1.00 0.00 WT2 H ATOM 35607 H2 TIP3 9035 72.873 70.438 62.844 1.00 0.00 WT2 H ATOM 35608 OH2 TIP3 9036 71.020 84.370 -17.658 1.00 0.00 WT2 O ATOM 35609 H1 TIP3 9036 70.573 83.754 -18.238 1.00 0.00 WT2 H ATOM 35610 H2 TIP3 9036 71.020 85.197 -18.140 1.00 0.00 WT2 H ATOM 35611 OH2 TIP3 9039 20.142 51.169 -18.027 1.00 0.00 WT2 O ATOM 35612 H1 TIP3 9039 20.807 50.943 -18.677 1.00 0.00 WT2 H ATOM 35613 H2 TIP3 9039 20.473 51.966 -17.612 1.00 0.00 WT2 H ATOM 35614 OH2 TIP3 9047 86.978 20.972 38.872 1.00 0.00 WT2 O ATOM 35615 H1 TIP3 9047 86.836 21.814 39.305 1.00 0.00 WT2 H ATOM 35616 H2 TIP3 9047 87.519 21.182 38.111 1.00 0.00 WT2 H ATOM 35617 OH2 TIP3 9051 64.360 63.343 27.636 1.00 0.00 WT2 O ATOM 35618 H1 TIP3 9051 63.939 63.449 28.490 1.00 0.00 WT2 H ATOM 35619 H2 TIP3 9051 63.633 63.257 27.020 1.00 0.00 WT2 H ATOM 35620 OH2 TIP3 9052 67.484 64.741 52.477 1.00 0.00 WT2 O ATOM 35621 H1 TIP3 9052 67.133 64.919 51.604 1.00 0.00 WT2 H ATOM 35622 H2 TIP3 9052 66.759 64.330 52.948 1.00 0.00 WT2 H ATOM 35623 OH2 TIP3 9054 76.027 16.936 56.547 1.00 0.00 WT2 O ATOM 35624 H1 TIP3 9054 75.328 17.024 55.898 1.00 0.00 WT2 H ATOM 35625 H2 TIP3 9054 76.795 17.321 56.126 1.00 0.00 WT2 H ATOM 35626 OH2 TIP3 9055 35.073 54.558 47.212 1.00 0.00 WT2 O ATOM 35627 H1 TIP3 9055 34.674 53.870 47.745 1.00 0.00 WT2 H ATOM 35628 H2 TIP3 9055 35.778 54.116 46.739 1.00 0.00 WT2 H ATOM 35629 OH2 TIP3 9058 54.461 62.416 -7.242 1.00 0.00 WT2 O ATOM 35630 H1 TIP3 9058 54.974 62.860 -6.567 1.00 0.00 WT2 H ATOM 35631 H2 TIP3 9058 53.612 62.859 -7.228 1.00 0.00 WT2 H ATOM 35632 OH2 TIP3 9072 21.115 18.296 61.008 1.00 0.00 WT2 O ATOM 35633 H1 TIP3 9072 20.551 18.559 61.735 1.00 0.00 WT2 H ATOM 35634 H2 TIP3 9072 21.549 19.105 60.736 1.00 0.00 WT2 H ATOM 35635 OH2 TIP3 9073 86.780 51.387 36.413 1.00 0.00 WT2 O ATOM 35636 H1 TIP3 9073 86.576 52.262 36.743 1.00 0.00 WT2 H ATOM 35637 H2 TIP3 9073 87.195 51.541 35.564 1.00 0.00 WT2 H ATOM 35638 OH2 TIP3 9075 41.827 75.486 59.261 1.00 0.00 WT2 O ATOM 35639 H1 TIP3 9075 42.385 76.160 58.873 1.00 0.00 WT2 H ATOM 35640 H2 TIP3 9075 41.781 75.719 60.189 1.00 0.00 WT2 H ATOM 35641 OH2 TIP3 9078 87.853 3.004 62.818 1.00 0.00 WT2 O ATOM 35642 H1 TIP3 9078 88.376 3.309 62.076 1.00 0.00 WT2 H ATOM 35643 H2 TIP3 9078 87.979 3.673 63.491 1.00 0.00 WT2 H ATOM 35644 OH2 TIP3 9079 70.759 12.926 66.803 1.00 0.00 WT2 O ATOM 35645 H1 TIP3 9079 70.025 12.359 66.567 1.00 0.00 WT2 H ATOM 35646 H2 TIP3 9079 70.505 13.310 67.643 1.00 0.00 WT2 H ATOM 35647 OH2 TIP3 9080 30.747 90.715 -9.200 1.00 0.00 WT2 O ATOM 35648 H1 TIP3 9080 30.893 91.510 -9.713 1.00 0.00 WT2 H ATOM 35649 H2 TIP3 9080 30.299 91.018 -8.410 1.00 0.00 WT2 H ATOM 35650 OH2 TIP3 9082 61.126 12.444 -5.865 1.00 0.00 WT2 O ATOM 35651 H1 TIP3 9082 60.804 11.545 -5.793 1.00 0.00 WT2 H ATOM 35652 H2 TIP3 9082 61.680 12.439 -6.646 1.00 0.00 WT2 H ATOM 35653 OH2 TIP3 9092 59.736 45.807 35.414 1.00 0.00 WT2 O ATOM 35654 H1 TIP3 9092 60.250 45.913 34.613 1.00 0.00 WT2 H ATOM 35655 H2 TIP3 9092 60.306 46.137 36.109 1.00 0.00 WT2 H ATOM 35656 OH2 TIP3 9093 24.947 52.820 42.982 1.00 0.00 WT2 O ATOM 35657 H1 TIP3 9093 25.738 52.884 42.446 1.00 0.00 WT2 H ATOM 35658 H2 TIP3 9093 24.290 53.321 42.501 1.00 0.00 WT2 H ATOM 35659 OH2 TIP3 9094 74.377 46.731 55.202 1.00 0.00 WT2 O ATOM 35660 H1 TIP3 9094 74.184 46.913 54.282 1.00 0.00 WT2 H ATOM 35661 H2 TIP3 9094 73.591 47.011 55.671 1.00 0.00 WT2 H ATOM 35662 OH2 TIP3 9096 80.527 21.928 55.527 1.00 0.00 WT2 O ATOM 35663 H1 TIP3 9096 80.911 21.112 55.206 1.00 0.00 WT2 H ATOM 35664 H2 TIP3 9096 79.969 22.230 54.810 1.00 0.00 WT2 H ATOM 35665 OH2 TIP3 9097 30.937 48.587 -12.594 1.00 0.00 WT2 O ATOM 35666 H1 TIP3 9097 30.507 49.316 -13.041 1.00 0.00 WT2 H ATOM 35667 H2 TIP3 9097 31.284 48.971 -11.788 1.00 0.00 WT2 H ATOM 35668 OH2 TIP3 9098 63.778 42.169 37.562 1.00 0.00 WT2 O ATOM 35669 H1 TIP3 9098 63.915 42.235 36.617 1.00 0.00 WT2 H ATOM 35670 H2 TIP3 9098 64.381 41.481 37.844 1.00 0.00 WT2 H ATOM 35671 OH2 TIP3 9099 48.768 8.184 -11.657 1.00 0.00 WT2 O ATOM 35672 H1 TIP3 9099 48.323 7.340 -11.739 1.00 0.00 WT2 H ATOM 35673 H2 TIP3 9099 49.566 8.086 -12.176 1.00 0.00 WT2 H ATOM 35674 OH2 TIP3 9100 84.348 41.567 21.092 1.00 0.00 WT2 O ATOM 35675 H1 TIP3 9100 83.685 41.903 21.694 1.00 0.00 WT2 H ATOM 35676 H2 TIP3 9100 85.022 41.194 21.660 1.00 0.00 WT2 H ATOM 35677 OH2 TIP3 9103 71.633 11.553 4.134 1.00 0.00 WT2 O ATOM 35678 H1 TIP3 9103 71.069 10.895 4.540 1.00 0.00 WT2 H ATOM 35679 H2 TIP3 9103 72.465 11.101 3.992 1.00 0.00 WT2 H ATOM 35680 OH2 TIP3 9110 21.296 51.798 43.453 1.00 0.00 WT2 O ATOM 35681 H1 TIP3 9110 22.120 52.025 43.022 1.00 0.00 WT2 H ATOM 35682 H2 TIP3 9110 21.506 51.029 43.982 1.00 0.00 WT2 H ATOM 35683 OH2 TIP3 9116 20.869 32.907 -2.410 1.00 0.00 WT2 O ATOM 35684 H1 TIP3 9116 21.577 33.548 -2.471 1.00 0.00 WT2 H ATOM 35685 H2 TIP3 9116 20.485 33.055 -1.546 1.00 0.00 WT2 H ATOM 35686 OH2 TIP3 9117 32.803 55.597 26.455 1.00 0.00 WT2 O ATOM 35687 H1 TIP3 9117 33.339 55.158 25.796 1.00 0.00 WT2 H ATOM 35688 H2 TIP3 9117 33.143 56.492 26.484 1.00 0.00 WT2 H ATOM 35689 OH2 TIP3 9120 66.504 77.576 26.877 1.00 0.00 WT2 O ATOM 35690 H1 TIP3 9120 67.198 77.522 26.221 1.00 0.00 WT2 H ATOM 35691 H2 TIP3 9120 65.724 77.248 26.429 1.00 0.00 WT2 H ATOM 35692 OH2 TIP3 9122 78.457 24.204 44.858 1.00 0.00 WT2 O ATOM 35693 H1 TIP3 9122 78.157 23.322 45.076 1.00 0.00 WT2 H ATOM 35694 H2 TIP3 9122 78.584 24.631 45.705 1.00 0.00 WT2 H ATOM 35695 OH2 TIP3 9123 38.710 37.210 16.401 1.00 0.00 WT2 O ATOM 35696 H1 TIP3 9123 39.068 36.481 16.908 1.00 0.00 WT2 H ATOM 35697 H2 TIP3 9123 39.479 37.646 16.033 1.00 0.00 WT2 H ATOM 35698 OH2 TIP3 9124 72.224 47.083 41.450 1.00 0.00 WT2 O ATOM 35699 H1 TIP3 9124 72.149 47.828 42.046 1.00 0.00 WT2 H ATOM 35700 H2 TIP3 9124 72.044 47.450 40.584 1.00 0.00 WT2 H ATOM 35701 OH2 TIP3 9136 86.714 67.792 38.784 1.00 0.00 WT2 O ATOM 35702 H1 TIP3 9136 87.547 68.261 38.841 1.00 0.00 WT2 H ATOM 35703 H2 TIP3 9136 86.629 67.565 37.858 1.00 0.00 WT2 H ATOM 35704 OH2 TIP3 9138 41.866 88.614 -17.483 1.00 0.00 WT2 O ATOM 35705 H1 TIP3 9138 41.939 87.681 -17.683 1.00 0.00 WT2 H ATOM 35706 H2 TIP3 9138 42.346 89.049 -18.188 1.00 0.00 WT2 H ATOM 35707 OH2 TIP3 9139 20.484 6.728 43.807 1.00 0.00 WT2 O ATOM 35708 H1 TIP3 9139 20.522 6.025 44.455 1.00 0.00 WT2 H ATOM 35709 H2 TIP3 9139 21.270 6.606 43.274 1.00 0.00 WT2 H ATOM 35710 OH2 TIP3 9140 89.022 66.414 21.660 1.00 0.00 WT2 O ATOM 35711 H1 TIP3 9140 89.656 67.043 22.006 1.00 0.00 WT2 H ATOM 35712 H2 TIP3 9140 88.983 66.602 20.723 1.00 0.00 WT2 H ATOM 35713 OH2 TIP3 9144 88.680 50.931 54.696 1.00 0.00 WT2 O ATOM 35714 H1 TIP3 9144 89.065 51.194 53.860 1.00 0.00 WT2 H ATOM 35715 H2 TIP3 9144 89.278 50.266 55.037 1.00 0.00 WT2 H ATOM 35716 OH2 TIP3 9145 39.098 27.958 -17.927 1.00 0.00 WT2 O ATOM 35717 H1 TIP3 9145 38.714 27.684 -17.094 1.00 0.00 WT2 H ATOM 35718 H2 TIP3 9145 38.422 28.496 -18.338 1.00 0.00 WT2 H ATOM 35719 OH2 TIP3 9157 27.066 66.928 51.999 1.00 0.00 WT2 O ATOM 35720 H1 TIP3 9157 27.220 67.084 52.931 1.00 0.00 WT2 H ATOM 35721 H2 TIP3 9157 27.808 67.344 51.560 1.00 0.00 WT2 H ATOM 35722 OH2 TIP3 9158 88.780 64.887 48.154 1.00 0.00 WT2 O ATOM 35723 H1 TIP3 9158 88.544 65.754 48.483 1.00 0.00 WT2 H ATOM 35724 H2 TIP3 9158 89.361 65.062 47.414 1.00 0.00 WT2 H ATOM 35725 OH2 TIP3 9159 76.076 95.165 -5.794 1.00 0.00 WT2 O ATOM 35726 H1 TIP3 9159 76.109 96.120 -5.847 1.00 0.00 WT2 H ATOM 35727 H2 TIP3 9159 75.425 94.985 -5.116 1.00 0.00 WT2 H ATOM 35728 OH2 TIP3 9160 40.304 1.510 34.047 1.00 0.00 WT2 O ATOM 35729 H1 TIP3 9160 40.708 2.249 34.502 1.00 0.00 WT2 H ATOM 35730 H2 TIP3 9160 40.571 0.743 34.552 1.00 0.00 WT2 H ATOM 35731 OH2 TIP3 9161 61.825 87.997 62.214 1.00 0.00 WT2 O ATOM 35732 H1 TIP3 9161 62.302 87.903 63.038 1.00 0.00 WT2 H ATOM 35733 H2 TIP3 9161 60.955 87.644 62.399 1.00 0.00 WT2 H ATOM 35734 OH2 TIP3 9162 87.354 38.703 37.649 1.00 0.00 WT2 O ATOM 35735 H1 TIP3 9162 87.343 39.324 38.377 1.00 0.00 WT2 H ATOM 35736 H2 TIP3 9162 87.080 39.218 36.890 1.00 0.00 WT2 H ATOM 35737 OH2 TIP3 9163 36.979 33.914 53.298 1.00 0.00 WT2 O ATOM 35738 H1 TIP3 9163 37.528 33.625 52.569 1.00 0.00 WT2 H ATOM 35739 H2 TIP3 9163 36.343 33.208 53.414 1.00 0.00 WT2 H ATOM 35740 OH2 TIP3 9167 59.795 88.416 32.425 1.00 0.00 WT2 O ATOM 35741 H1 TIP3 9167 59.185 88.455 31.688 1.00 0.00 WT2 H ATOM 35742 H2 TIP3 9167 59.723 89.275 32.841 1.00 0.00 WT2 H ATOM 35743 OH2 TIP3 9170 25.745 30.895 60.785 1.00 0.00 WT2 O ATOM 35744 H1 TIP3 9170 25.145 31.072 61.510 1.00 0.00 WT2 H ATOM 35745 H2 TIP3 9170 26.593 31.216 61.092 1.00 0.00 WT2 H ATOM 35746 OH2 TIP3 9177 89.422 64.310 58.641 1.00 0.00 WT2 O ATOM 35747 H1 TIP3 9177 90.055 64.855 58.173 1.00 0.00 WT2 H ATOM 35748 H2 TIP3 9177 88.727 64.916 58.897 1.00 0.00 WT2 H ATOM 35749 OH2 TIP3 9180 84.993 39.558 55.845 1.00 0.00 WT2 O ATOM 35750 H1 TIP3 9180 84.052 39.719 55.774 1.00 0.00 WT2 H ATOM 35751 H2 TIP3 9180 85.398 40.297 55.390 1.00 0.00 WT2 H ATOM 35752 OH2 TIP3 9181 48.762 12.351 34.483 1.00 0.00 WT2 O ATOM 35753 H1 TIP3 9181 48.709 11.430 34.228 1.00 0.00 WT2 H ATOM 35754 H2 TIP3 9181 48.521 12.833 33.692 1.00 0.00 WT2 H ATOM 35755 OH2 TIP3 9183 25.571 73.006 43.602 1.00 0.00 WT2 O ATOM 35756 H1 TIP3 9183 24.986 73.756 43.709 1.00 0.00 WT2 H ATOM 35757 H2 TIP3 9183 26.430 73.330 43.872 1.00 0.00 WT2 H ATOM 35758 OH2 TIP3 9184 22.905 78.807 25.008 1.00 0.00 WT2 O ATOM 35759 H1 TIP3 9184 22.020 78.805 24.644 1.00 0.00 WT2 H ATOM 35760 H2 TIP3 9184 23.320 78.031 24.633 1.00 0.00 WT2 H ATOM 35761 OH2 TIP3 9185 33.915 30.019 17.150 1.00 0.00 WT2 O ATOM 35762 H1 TIP3 9185 34.364 29.234 16.838 1.00 0.00 WT2 H ATOM 35763 H2 TIP3 9185 33.149 30.099 16.582 1.00 0.00 WT2 H ATOM 35764 OH2 TIP3 9186 58.285 93.339 -14.989 1.00 0.00 WT2 O ATOM 35765 H1 TIP3 9186 57.694 92.705 -14.584 1.00 0.00 WT2 H ATOM 35766 H2 TIP3 9186 58.323 93.079 -15.909 1.00 0.00 WT2 H ATOM 35767 OH2 TIP3 9198 62.961 40.056 48.383 1.00 0.00 WT2 O ATOM 35768 H1 TIP3 9198 63.646 40.260 49.020 1.00 0.00 WT2 H ATOM 35769 H2 TIP3 9198 62.143 40.151 48.871 1.00 0.00 WT2 H ATOM 35770 OH2 TIP3 9200 90.463 60.186 -13.623 1.00 0.00 WT2 O ATOM 35771 H1 TIP3 9200 89.626 60.091 -14.077 1.00 0.00 WT2 H ATOM 35772 H2 TIP3 9200 90.982 60.753 -14.193 1.00 0.00 WT2 H ATOM 35773 OH2 TIP3 9201 88.884 89.899 46.439 1.00 0.00 WT2 O ATOM 35774 H1 TIP3 9201 88.841 88.950 46.553 1.00 0.00 WT2 H ATOM 35775 H2 TIP3 9201 87.971 90.185 46.466 1.00 0.00 WT2 H ATOM 35776 OH2 TIP3 9202 56.395 82.949 27.695 1.00 0.00 WT2 O ATOM 35777 H1 TIP3 9202 56.253 83.171 26.775 1.00 0.00 WT2 H ATOM 35778 H2 TIP3 9202 55.888 82.148 27.830 1.00 0.00 WT2 H ATOM 35779 OH2 TIP3 9203 77.322 63.200 -17.536 1.00 0.00 WT2 O ATOM 35780 H1 TIP3 9203 76.563 63.680 -17.203 1.00 0.00 WT2 H ATOM 35781 H2 TIP3 9203 78.067 63.573 -17.065 1.00 0.00 WT2 H ATOM 35782 OH2 TIP3 9204 63.234 30.780 37.713 1.00 0.00 WT2 O ATOM 35783 H1 TIP3 9204 62.425 30.482 38.129 1.00 0.00 WT2 H ATOM 35784 H2 TIP3 9204 62.943 31.373 37.020 1.00 0.00 WT2 H ATOM 35785 OH2 TIP3 9205 84.728 48.922 6.821 1.00 0.00 WT2 O ATOM 35786 H1 TIP3 9205 83.794 49.116 6.902 1.00 0.00 WT2 H ATOM 35787 H2 TIP3 9205 85.143 49.779 6.718 1.00 0.00 WT2 H ATOM 35788 OH2 TIP3 9219 79.824 6.053 -6.744 1.00 0.00 WT2 O ATOM 35789 H1 TIP3 9219 79.383 6.628 -6.120 1.00 0.00 WT2 H ATOM 35790 H2 TIP3 9219 79.935 6.589 -7.529 1.00 0.00 WT2 H ATOM 35791 OH2 TIP3 9222 43.974 44.286 1.866 1.00 0.00 WT2 O ATOM 35792 H1 TIP3 9222 43.269 43.665 2.049 1.00 0.00 WT2 H ATOM 35793 H2 TIP3 9222 43.538 45.137 1.824 1.00 0.00 WT2 H ATOM 35794 OH2 TIP3 9223 67.095 93.532 44.298 1.00 0.00 WT2 O ATOM 35795 H1 TIP3 9223 67.150 94.171 45.008 1.00 0.00 WT2 H ATOM 35796 H2 TIP3 9223 66.314 93.786 43.807 1.00 0.00 WT2 H ATOM 35797 OH2 TIP3 9225 84.867 23.882 46.837 1.00 0.00 WT2 O ATOM 35798 H1 TIP3 9225 85.750 23.523 46.925 1.00 0.00 WT2 H ATOM 35799 H2 TIP3 9225 84.801 24.532 47.537 1.00 0.00 WT2 H ATOM 35800 OH2 TIP3 9226 88.438 52.843 66.341 1.00 0.00 WT2 O ATOM 35801 H1 TIP3 9226 87.709 52.432 66.805 1.00 0.00 WT2 H ATOM 35802 H2 TIP3 9226 88.711 53.562 66.911 1.00 0.00 WT2 H ATOM 35803 OH2 TIP3 9227 28.231 60.799 -14.810 1.00 0.00 WT2 O ATOM 35804 H1 TIP3 9227 29.017 60.624 -14.292 1.00 0.00 WT2 H ATOM 35805 H2 TIP3 9227 28.527 60.750 -15.719 1.00 0.00 WT2 H ATOM 35806 OH2 TIP3 9228 84.729 32.274 49.860 1.00 0.00 WT2 O ATOM 35807 H1 TIP3 9228 85.332 32.802 50.384 1.00 0.00 WT2 H ATOM 35808 H2 TIP3 9228 85.289 31.634 49.421 1.00 0.00 WT2 H ATOM 35809 OH2 TIP3 9241 60.309 4.124 2.598 1.00 0.00 WT2 O ATOM 35810 H1 TIP3 9241 60.710 4.351 1.759 1.00 0.00 WT2 H ATOM 35811 H2 TIP3 9241 59.905 4.938 2.899 1.00 0.00 WT2 H ATOM 35812 OH2 TIP3 9242 23.167 32.778 15.438 1.00 0.00 WT2 O ATOM 35813 H1 TIP3 9242 23.925 32.465 14.945 1.00 0.00 WT2 H ATOM 35814 H2 TIP3 9242 23.173 33.727 15.312 1.00 0.00 WT2 H ATOM 35815 OH2 TIP3 9243 32.914 15.332 56.355 1.00 0.00 WT2 O ATOM 35816 H1 TIP3 9243 33.535 14.637 56.136 1.00 0.00 WT2 H ATOM 35817 H2 TIP3 9243 32.557 15.076 57.206 1.00 0.00 WT2 H ATOM 35818 OH2 TIP3 9244 88.528 55.828 48.727 1.00 0.00 WT2 O ATOM 35819 H1 TIP3 9244 89.090 55.089 48.959 1.00 0.00 WT2 H ATOM 35820 H2 TIP3 9244 89.107 56.436 48.266 1.00 0.00 WT2 H ATOM 35821 OH2 TIP3 9245 56.137 92.462 -19.357 1.00 0.00 WT2 O ATOM 35822 H1 TIP3 9245 56.664 91.707 -19.616 1.00 0.00 WT2 H ATOM 35823 H2 TIP3 9245 55.634 92.155 -18.602 1.00 0.00 WT2 H ATOM 35824 OH2 TIP3 9246 84.246 10.041 55.853 1.00 0.00 WT2 O ATOM 35825 H1 TIP3 9246 83.918 10.311 56.710 1.00 0.00 WT2 H ATOM 35826 H2 TIP3 9246 83.816 10.633 55.235 1.00 0.00 WT2 H ATOM 35827 OH2 TIP3 9247 33.049 11.716 54.481 1.00 0.00 WT2 O ATOM 35828 H1 TIP3 9247 33.681 12.349 54.140 1.00 0.00 WT2 H ATOM 35829 H2 TIP3 9247 33.585 10.987 54.795 1.00 0.00 WT2 H ATOM 35830 OH2 TIP3 9250 86.483 39.187 0.675 1.00 0.00 WT2 O ATOM 35831 H1 TIP3 9250 87.124 38.736 0.125 1.00 0.00 WT2 H ATOM 35832 H2 TIP3 9250 86.085 39.837 0.095 1.00 0.00 WT2 H ATOM 35833 OH2 TIP3 9259 40.029 81.076 45.684 1.00 0.00 WT2 O ATOM 35834 H1 TIP3 9259 39.528 81.502 44.989 1.00 0.00 WT2 H ATOM 35835 H2 TIP3 9259 39.406 80.476 46.095 1.00 0.00 WT2 H ATOM 35836 OH2 TIP3 9261 59.855 1.922 4.134 1.00 0.00 WT2 O ATOM 35837 H1 TIP3 9261 59.299 2.205 4.860 1.00 0.00 WT2 H ATOM 35838 H2 TIP3 9261 60.073 2.729 3.670 1.00 0.00 WT2 H ATOM 35839 OH2 TIP3 4 60.724 11.177 -2.153 1.00 0.00 WT3 O ATOM 35840 H1 TIP3 4 61.677 11.258 -2.171 1.00 0.00 WT3 H ATOM 35841 H2 TIP3 4 60.405 12.028 -2.455 1.00 0.00 WT3 H ATOM 35842 OH2 TIP3 5 70.762 84.847 42.015 1.00 0.00 WT3 O ATOM 35843 H1 TIP3 5 70.434 84.935 41.120 1.00 0.00 WT3 H ATOM 35844 H2 TIP3 5 70.168 84.219 42.427 1.00 0.00 WT3 H ATOM 35845 OH2 TIP3 6 74.155 39.175 5.316 1.00 0.00 WT3 O ATOM 35846 H1 TIP3 6 74.286 39.940 5.877 1.00 0.00 WT3 H ATOM 35847 H2 TIP3 6 74.379 38.429 5.873 1.00 0.00 WT3 H ATOM 35848 OH2 TIP3 7 60.251 80.654 54.845 1.00 0.00 WT3 O ATOM 35849 H1 TIP3 7 60.390 81.498 54.416 1.00 0.00 WT3 H ATOM 35850 H2 TIP3 7 60.783 80.698 55.639 1.00 0.00 WT3 H ATOM 35851 OH2 TIP3 8 40.008 62.371 43.406 1.00 0.00 WT3 O ATOM 35852 H1 TIP3 8 39.987 61.827 44.193 1.00 0.00 WT3 H ATOM 35853 H2 TIP3 8 40.109 63.265 43.735 1.00 0.00 WT3 H ATOM 35854 OH2 TIP3 10 51.498 96.111 14.233 1.00 0.00 WT3 O ATOM 35855 H1 TIP3 10 50.599 95.860 14.022 1.00 0.00 WT3 H ATOM 35856 H2 TIP3 10 52.041 95.505 13.728 1.00 0.00 WT3 H ATOM 35857 OH2 TIP3 11 77.190 53.245 16.632 1.00 0.00 WT3 O ATOM 35858 H1 TIP3 11 76.755 52.840 17.382 1.00 0.00 WT3 H ATOM 35859 H2 TIP3 11 77.905 52.645 16.417 1.00 0.00 WT3 H ATOM 35860 OH2 TIP3 12 43.905 4.192 6.711 1.00 0.00 WT3 O ATOM 35861 H1 TIP3 12 43.973 4.974 7.260 1.00 0.00 WT3 H ATOM 35862 H2 TIP3 12 43.173 3.701 7.083 1.00 0.00 WT3 H ATOM 35863 OH2 TIP3 13 47.788 49.173 -16.649 1.00 0.00 WT3 O ATOM 35864 H1 TIP3 13 47.758 49.649 -15.819 1.00 0.00 WT3 H ATOM 35865 H2 TIP3 13 47.947 48.263 -16.399 1.00 0.00 WT3 H ATOM 35866 OH2 TIP3 15 73.330 61.988 31.727 1.00 0.00 WT3 O ATOM 35867 H1 TIP3 15 73.816 61.402 31.147 1.00 0.00 WT3 H ATOM 35868 H2 TIP3 15 72.440 61.635 31.733 1.00 0.00 WT3 H ATOM 35869 OH2 TIP3 16 26.387 75.308 55.129 1.00 0.00 WT3 O ATOM 35870 H1 TIP3 16 26.883 76.125 55.070 1.00 0.00 WT3 H ATOM 35871 H2 TIP3 16 26.564 74.983 56.011 1.00 0.00 WT3 H ATOM 35872 OH2 TIP3 17 25.501 49.541 58.689 1.00 0.00 WT3 O ATOM 35873 H1 TIP3 17 25.494 49.510 57.732 1.00 0.00 WT3 H ATOM 35874 H2 TIP3 17 24.800 48.945 58.954 1.00 0.00 WT3 H ATOM 35875 OH2 TIP3 18 39.694 69.636 57.536 1.00 0.00 WT3 O ATOM 35876 H1 TIP3 18 39.678 70.074 58.387 1.00 0.00 WT3 H ATOM 35877 H2 TIP3 18 40.423 69.018 57.598 1.00 0.00 WT3 H ATOM 35878 OH2 TIP3 19 75.009 63.435 62.054 1.00 0.00 WT3 O ATOM 35879 H1 TIP3 19 74.581 64.284 61.939 1.00 0.00 WT3 H ATOM 35880 H2 TIP3 19 74.447 62.966 62.671 1.00 0.00 WT3 H ATOM 35881 OH2 TIP3 20 57.081 27.693 38.636 1.00 0.00 WT3 O ATOM 35882 H1 TIP3 20 57.990 27.838 38.373 1.00 0.00 WT3 H ATOM 35883 H2 TIP3 20 56.844 28.482 39.124 1.00 0.00 WT3 H ATOM 35884 OH2 TIP3 21 24.407 79.050 10.982 1.00 0.00 WT3 O ATOM 35885 H1 TIP3 21 23.598 79.436 11.317 1.00 0.00 WT3 H ATOM 35886 H2 TIP3 21 24.789 78.601 11.736 1.00 0.00 WT3 H ATOM 35887 OH2 TIP3 22 77.974 76.397 41.961 1.00 0.00 WT3 O ATOM 35888 H1 TIP3 22 78.574 75.721 42.276 1.00 0.00 WT3 H ATOM 35889 H2 TIP3 22 78.400 76.752 41.181 1.00 0.00 WT3 H ATOM 35890 OH2 TIP3 23 68.282 68.259 44.059 1.00 0.00 WT3 O ATOM 35891 H1 TIP3 23 67.608 68.418 44.720 1.00 0.00 WT3 H ATOM 35892 H2 TIP3 23 69.077 68.640 44.432 1.00 0.00 WT3 H ATOM 35893 OH2 TIP3 24 34.130 67.716 38.567 1.00 0.00 WT3 O ATOM 35894 H1 TIP3 24 34.902 68.044 38.107 1.00 0.00 WT3 H ATOM 35895 H2 TIP3 24 34.480 67.107 39.219 1.00 0.00 WT3 H ATOM 35896 OH2 TIP3 25 66.737 2.048 -13.961 1.00 0.00 WT3 O ATOM 35897 H1 TIP3 25 65.940 1.642 -13.618 1.00 0.00 WT3 H ATOM 35898 H2 TIP3 25 67.149 2.449 -13.197 1.00 0.00 WT3 H ATOM 35899 OH2 TIP3 26 75.679 92.965 8.361 1.00 0.00 WT3 O ATOM 35900 H1 TIP3 26 76.509 92.897 8.833 1.00 0.00 WT3 H ATOM 35901 H2 TIP3 26 75.905 93.405 7.542 1.00 0.00 WT3 H ATOM 35902 OH2 TIP3 27 80.746 69.837 33.685 1.00 0.00 WT3 O ATOM 35903 H1 TIP3 27 79.880 69.445 33.573 1.00 0.00 WT3 H ATOM 35904 H2 TIP3 27 81.283 69.434 33.002 1.00 0.00 WT3 H ATOM 35905 OH2 TIP3 29 30.743 32.892 55.730 1.00 0.00 WT3 O ATOM 35906 H1 TIP3 29 30.783 33.502 56.466 1.00 0.00 WT3 H ATOM 35907 H2 TIP3 29 31.487 32.305 55.865 1.00 0.00 WT3 H ATOM 35908 OH2 TIP3 30 29.822 72.950 29.241 1.00 0.00 WT3 O ATOM 35909 H1 TIP3 30 30.737 73.066 28.987 1.00 0.00 WT3 H ATOM 35910 H2 TIP3 30 29.857 72.386 30.014 1.00 0.00 WT3 H ATOM 35911 OH2 TIP3 31 74.655 77.429 24.403 1.00 0.00 WT3 O ATOM 35912 H1 TIP3 31 74.105 77.814 25.085 1.00 0.00 WT3 H ATOM 35913 H2 TIP3 31 75.423 77.101 24.870 1.00 0.00 WT3 H ATOM 35914 OH2 TIP3 32 78.043 77.748 -10.700 1.00 0.00 WT3 O ATOM 35915 H1 TIP3 32 77.543 77.594 -9.898 1.00 0.00 WT3 H ATOM 35916 H2 TIP3 32 78.563 76.952 -10.814 1.00 0.00 WT3 H ATOM 35917 OH2 TIP3 33 21.275 96.122 53.100 1.00 0.00 WT3 O ATOM 35918 H1 TIP3 33 20.648 96.434 52.447 1.00 0.00 WT3 H ATOM 35919 H2 TIP3 33 21.962 95.695 52.588 1.00 0.00 WT3 H ATOM 35920 OH2 TIP3 34 53.993 33.213 66.276 1.00 0.00 WT3 O ATOM 35921 H1 TIP3 34 53.806 32.566 66.956 1.00 0.00 WT3 H ATOM 35922 H2 TIP3 34 54.743 33.704 66.611 1.00 0.00 WT3 H ATOM 35923 OH2 TIP3 35 40.544 10.368 -5.058 1.00 0.00 WT3 O ATOM 35924 H1 TIP3 35 40.530 11.296 -4.822 1.00 0.00 WT3 H ATOM 35925 H2 TIP3 35 39.696 10.034 -4.767 1.00 0.00 WT3 H ATOM 35926 OH2 TIP3 37 69.801 88.036 42.518 1.00 0.00 WT3 O ATOM 35927 H1 TIP3 37 70.188 88.881 42.747 1.00 0.00 WT3 H ATOM 35928 H2 TIP3 37 70.101 87.869 41.625 1.00 0.00 WT3 H ATOM 35929 OH2 TIP3 39 32.871 93.522 32.330 1.00 0.00 WT3 O ATOM 35930 H1 TIP3 39 32.162 94.164 32.302 1.00 0.00 WT3 H ATOM 35931 H2 TIP3 39 33.514 93.901 32.930 1.00 0.00 WT3 H ATOM 35932 OH2 TIP3 41 52.761 53.856 66.667 1.00 0.00 WT3 O ATOM 35933 H1 TIP3 41 53.073 53.310 67.388 1.00 0.00 WT3 H ATOM 35934 H2 TIP3 41 52.573 53.237 65.961 1.00 0.00 WT3 H ATOM 35935 OH2 TIP3 42 63.626 93.384 45.255 1.00 0.00 WT3 O ATOM 35936 H1 TIP3 42 64.142 93.460 46.057 1.00 0.00 WT3 H ATOM 35937 H2 TIP3 42 62.796 93.814 45.462 1.00 0.00 WT3 H ATOM 35938 OH2 TIP3 43 78.592 0.138 66.817 1.00 0.00 WT3 O ATOM 35939 H1 TIP3 43 79.184 0.879 66.691 1.00 0.00 WT3 H ATOM 35940 H2 TIP3 43 77.796 0.383 66.347 1.00 0.00 WT3 H ATOM 35941 OH2 TIP3 44 87.998 12.331 58.784 1.00 0.00 WT3 O ATOM 35942 H1 TIP3 44 87.977 13.278 58.927 1.00 0.00 WT3 H ATOM 35943 H2 TIP3 44 87.981 11.956 59.665 1.00 0.00 WT3 H ATOM 35944 OH2 TIP3 45 67.431 78.224 34.727 1.00 0.00 WT3 O ATOM 35945 H1 TIP3 45 67.134 78.541 33.874 1.00 0.00 WT3 H ATOM 35946 H2 TIP3 45 66.763 77.592 34.994 1.00 0.00 WT3 H ATOM 35947 OH2 TIP3 46 27.494 3.771 46.785 1.00 0.00 WT3 O ATOM 35948 H1 TIP3 46 26.935 3.051 46.493 1.00 0.00 WT3 H ATOM 35949 H2 TIP3 46 26.887 4.411 47.157 1.00 0.00 WT3 H ATOM 35950 OH2 TIP3 47 88.474 2.542 14.101 1.00 0.00 WT3 O ATOM 35951 H1 TIP3 47 88.705 3.014 14.901 1.00 0.00 WT3 H ATOM 35952 H2 TIP3 47 88.822 1.661 14.233 1.00 0.00 WT3 H ATOM 35953 OH2 TIP3 48 82.943 48.797 9.623 1.00 0.00 WT3 O ATOM 35954 H1 TIP3 48 83.499 48.085 9.306 1.00 0.00 WT3 H ATOM 35955 H2 TIP3 48 83.179 49.547 9.076 1.00 0.00 WT3 H ATOM 35956 OH2 TIP3 50 84.878 69.426 30.590 1.00 0.00 WT3 O ATOM 35957 H1 TIP3 50 84.677 70.286 30.959 1.00 0.00 WT3 H ATOM 35958 H2 TIP3 50 85.069 68.877 31.350 1.00 0.00 WT3 H ATOM 35959 OH2 TIP3 52 48.665 36.342 2.045 1.00 0.00 WT3 O ATOM 35960 H1 TIP3 52 49.210 35.559 1.972 1.00 0.00 WT3 H ATOM 35961 H2 TIP3 52 48.445 36.396 2.975 1.00 0.00 WT3 H ATOM 35962 OH2 TIP3 53 76.669 50.139 51.762 1.00 0.00 WT3 O ATOM 35963 H1 TIP3 53 76.317 49.794 50.941 1.00 0.00 WT3 H ATOM 35964 H2 TIP3 53 77.037 50.991 51.526 1.00 0.00 WT3 H ATOM 35965 OH2 TIP3 55 34.119 66.133 46.744 1.00 0.00 WT3 O ATOM 35966 H1 TIP3 55 34.619 65.332 46.902 1.00 0.00 WT3 H ATOM 35967 H2 TIP3 55 34.612 66.593 46.064 1.00 0.00 WT3 H ATOM 35968 OH2 TIP3 56 78.704 48.470 12.348 1.00 0.00 WT3 O ATOM 35969 H1 TIP3 56 79.481 48.373 11.797 1.00 0.00 WT3 H ATOM 35970 H2 TIP3 56 79.001 48.997 13.090 1.00 0.00 WT3 H ATOM 35971 OH2 TIP3 58 23.124 87.903 25.238 1.00 0.00 WT3 O ATOM 35972 H1 TIP3 58 23.486 88.136 24.383 1.00 0.00 WT3 H ATOM 35973 H2 TIP3 58 23.544 87.072 25.459 1.00 0.00 WT3 H ATOM 35974 OH2 TIP3 59 38.254 96.571 -6.287 1.00 0.00 WT3 O ATOM 35975 H1 TIP3 59 38.034 95.776 -5.801 1.00 0.00 WT3 H ATOM 35976 H2 TIP3 59 38.857 97.044 -5.714 1.00 0.00 WT3 H ATOM 35977 OH2 TIP3 60 44.499 6.452 -17.231 1.00 0.00 WT3 O ATOM 35978 H1 TIP3 60 44.001 6.442 -18.048 1.00 0.00 WT3 H ATOM 35979 H2 TIP3 60 43.836 6.390 -16.544 1.00 0.00 WT3 H ATOM 35980 OH2 TIP3 61 69.628 93.210 66.472 1.00 0.00 WT3 O ATOM 35981 H1 TIP3 61 69.915 93.392 67.367 1.00 0.00 WT3 H ATOM 35982 H2 TIP3 61 69.196 94.016 66.190 1.00 0.00 WT3 H ATOM 35983 OH2 TIP3 62 69.219 66.241 -14.225 1.00 0.00 WT3 O ATOM 35984 H1 TIP3 62 69.215 65.326 -14.506 1.00 0.00 WT3 H ATOM 35985 H2 TIP3 62 68.725 66.702 -14.903 1.00 0.00 WT3 H ATOM 35986 OH2 TIP3 63 27.334 75.397 24.000 1.00 0.00 WT3 O ATOM 35987 H1 TIP3 63 27.503 75.993 23.271 1.00 0.00 WT3 H ATOM 35988 H2 TIP3 63 26.818 74.688 23.615 1.00 0.00 WT3 H ATOM 35989 OH2 TIP3 64 79.830 61.497 -0.540 1.00 0.00 WT3 O ATOM 35990 H1 TIP3 64 79.725 60.673 -0.063 1.00 0.00 WT3 H ATOM 35991 H2 TIP3 64 79.077 61.531 -1.129 1.00 0.00 WT3 H ATOM 35992 OH2 TIP3 66 40.098 1.173 -4.499 1.00 0.00 WT3 O ATOM 35993 H1 TIP3 66 40.512 1.135 -3.636 1.00 0.00 WT3 H ATOM 35994 H2 TIP3 66 39.928 2.104 -4.642 1.00 0.00 WT3 H ATOM 35995 OH2 TIP3 67 75.120 52.875 4.402 1.00 0.00 WT3 O ATOM 35996 H1 TIP3 67 74.233 53.210 4.268 1.00 0.00 WT3 H ATOM 35997 H2 TIP3 67 75.280 52.986 5.339 1.00 0.00 WT3 H ATOM 35998 OH2 TIP3 68 65.536 58.035 4.182 1.00 0.00 WT3 O ATOM 35999 H1 TIP3 68 65.513 58.859 4.668 1.00 0.00 WT3 H ATOM 36000 H2 TIP3 68 66.095 57.462 4.706 1.00 0.00 WT3 H ATOM 36001 OH2 TIP3 69 27.666 67.318 48.148 1.00 0.00 WT3 O ATOM 36002 H1 TIP3 69 28.439 66.764 48.045 1.00 0.00 WT3 H ATOM 36003 H2 TIP3 69 27.003 66.739 48.525 1.00 0.00 WT3 H ATOM 36004 OH2 TIP3 70 31.281 82.011 63.183 1.00 0.00 WT3 O ATOM 36005 H1 TIP3 70 31.644 81.343 62.601 1.00 0.00 WT3 H ATOM 36006 H2 TIP3 70 30.841 82.626 62.597 1.00 0.00 WT3 H ATOM 36007 OH2 TIP3 71 31.518 77.855 38.232 1.00 0.00 WT3 O ATOM 36008 H1 TIP3 71 31.325 77.006 37.835 1.00 0.00 WT3 H ATOM 36009 H2 TIP3 71 32.059 78.305 37.584 1.00 0.00 WT3 H ATOM 36010 OH2 TIP3 72 26.647 59.974 48.951 1.00 0.00 WT3 O ATOM 36011 H1 TIP3 72 26.064 60.521 48.425 1.00 0.00 WT3 H ATOM 36012 H2 TIP3 72 26.668 59.135 48.493 1.00 0.00 WT3 H ATOM 36013 OH2 TIP3 74 83.650 70.863 -11.621 1.00 0.00 WT3 O ATOM 36014 H1 TIP3 74 84.306 71.527 -11.411 1.00 0.00 WT3 H ATOM 36015 H2 TIP3 74 84.102 70.029 -11.490 1.00 0.00 WT3 H ATOM 36016 OH2 TIP3 75 90.584 75.667 50.700 1.00 0.00 WT3 O ATOM 36017 H1 TIP3 75 89.801 76.196 50.856 1.00 0.00 WT3 H ATOM 36018 H2 TIP3 75 90.441 75.275 49.839 1.00 0.00 WT3 H ATOM 36019 OH2 TIP3 76 87.659 68.478 1.080 1.00 0.00 WT3 O ATOM 36020 H1 TIP3 76 86.970 68.097 0.536 1.00 0.00 WT3 H ATOM 36021 H2 TIP3 76 88.455 68.388 0.556 1.00 0.00 WT3 H ATOM 36022 OH2 TIP3 78 33.457 68.418 48.205 1.00 0.00 WT3 O ATOM 36023 H1 TIP3 78 33.641 67.738 47.556 1.00 0.00 WT3 H ATOM 36024 H2 TIP3 78 32.514 68.569 48.133 1.00 0.00 WT3 H ATOM 36025 OH2 TIP3 79 43.368 86.317 55.794 1.00 0.00 WT3 O ATOM 36026 H1 TIP3 79 43.522 85.688 56.498 1.00 0.00 WT3 H ATOM 36027 H2 TIP3 79 42.427 86.261 55.623 1.00 0.00 WT3 H ATOM 36028 OH2 TIP3 80 79.926 56.927 7.704 1.00 0.00 WT3 O ATOM 36029 H1 TIP3 80 79.517 57.787 7.799 1.00 0.00 WT3 H ATOM 36030 H2 TIP3 80 79.418 56.355 8.279 1.00 0.00 WT3 H ATOM 36031 OH2 TIP3 81 49.166 3.107 50.653 1.00 0.00 WT3 O ATOM 36032 H1 TIP3 81 48.541 3.255 49.944 1.00 0.00 WT3 H ATOM 36033 H2 TIP3 81 50.016 3.053 50.217 1.00 0.00 WT3 H ATOM 36034 OH2 TIP3 82 53.606 30.978 31.389 1.00 0.00 WT3 O ATOM 36035 H1 TIP3 82 54.221 30.307 31.686 1.00 0.00 WT3 H ATOM 36036 H2 TIP3 82 54.070 31.805 31.523 1.00 0.00 WT3 H ATOM 36037 OH2 TIP3 83 78.819 23.177 2.959 1.00 0.00 WT3 O ATOM 36038 H1 TIP3 83 78.410 22.774 2.194 1.00 0.00 WT3 H ATOM 36039 H2 TIP3 83 79.718 23.357 2.683 1.00 0.00 WT3 H ATOM 36040 OH2 TIP3 84 42.368 95.809 16.962 1.00 0.00 WT3 O ATOM 36041 H1 TIP3 84 42.800 94.985 17.183 1.00 0.00 WT3 H ATOM 36042 H2 TIP3 84 42.840 96.471 17.468 1.00 0.00 WT3 H ATOM 36043 OH2 TIP3 86 77.056 5.078 -17.490 1.00 0.00 WT3 O ATOM 36044 H1 TIP3 86 76.466 4.585 -16.919 1.00 0.00 WT3 H ATOM 36045 H2 TIP3 86 76.473 5.571 -18.068 1.00 0.00 WT3 H ATOM 36046 OH2 TIP3 87 72.660 64.324 51.211 1.00 0.00 WT3 O ATOM 36047 H1 TIP3 87 71.886 64.329 50.647 1.00 0.00 WT3 H ATOM 36048 H2 TIP3 87 72.721 65.220 51.542 1.00 0.00 WT3 H ATOM 36049 OH2 TIP3 88 42.830 68.130 -4.946 1.00 0.00 WT3 O ATOM 36050 H1 TIP3 88 42.096 67.891 -4.381 1.00 0.00 WT3 H ATOM 36051 H2 TIP3 88 43.590 67.712 -4.542 1.00 0.00 WT3 H ATOM 36052 OH2 TIP3 90 68.978 90.268 62.173 1.00 0.00 WT3 O ATOM 36053 H1 TIP3 90 69.831 90.403 62.586 1.00 0.00 WT3 H ATOM 36054 H2 TIP3 90 68.346 90.583 62.819 1.00 0.00 WT3 H ATOM 36055 OH2 TIP3 91 61.770 87.532 -4.817 1.00 0.00 WT3 O ATOM 36056 H1 TIP3 91 61.421 88.417 -4.712 1.00 0.00 WT3 H ATOM 36057 H2 TIP3 91 62.641 87.568 -4.422 1.00 0.00 WT3 H ATOM 36058 OH2 TIP3 92 48.286 34.424 12.275 1.00 0.00 WT3 O ATOM 36059 H1 TIP3 92 48.641 33.567 12.512 1.00 0.00 WT3 H ATOM 36060 H2 TIP3 92 47.383 34.405 12.595 1.00 0.00 WT3 H ATOM 36061 OH2 TIP3 93 65.497 13.605 -2.443 1.00 0.00 WT3 O ATOM 36062 H1 TIP3 93 65.944 14.175 -1.818 1.00 0.00 WT3 H ATOM 36063 H2 TIP3 93 65.005 14.204 -3.005 1.00 0.00 WT3 H ATOM 36064 OH2 TIP3 94 34.940 62.830 58.696 1.00 0.00 WT3 O ATOM 36065 H1 TIP3 94 35.818 62.725 59.063 1.00 0.00 WT3 H ATOM 36066 H2 TIP3 94 34.946 63.705 58.308 1.00 0.00 WT3 H ATOM 36067 OH2 TIP3 95 30.363 18.316 -14.224 1.00 0.00 WT3 O ATOM 36068 H1 TIP3 95 29.902 17.685 -14.776 1.00 0.00 WT3 H ATOM 36069 H2 TIP3 95 29.673 18.882 -13.878 1.00 0.00 WT3 H ATOM 36070 OH2 TIP3 97 30.300 22.870 10.353 1.00 0.00 WT3 O ATOM 36071 H1 TIP3 97 29.890 23.582 9.862 1.00 0.00 WT3 H ATOM 36072 H2 TIP3 97 31.238 22.981 10.199 1.00 0.00 WT3 H ATOM 36073 OH2 TIP3 98 70.934 79.191 26.414 1.00 0.00 WT3 O ATOM 36074 H1 TIP3 98 70.121 79.628 26.163 1.00 0.00 WT3 H ATOM 36075 H2 TIP3 98 70.779 78.266 26.223 1.00 0.00 WT3 H ATOM 36076 OH2 TIP3 99 88.211 90.589 16.511 1.00 0.00 WT3 O ATOM 36077 H1 TIP3 99 87.491 91.011 16.042 1.00 0.00 WT3 H ATOM 36078 H2 TIP3 99 88.741 91.316 16.839 1.00 0.00 WT3 H ATOM 36079 OH2 TIP3 100 71.905 23.874 -14.867 1.00 0.00 WT3 O ATOM 36080 H1 TIP3 100 72.414 23.151 -15.234 1.00 0.00 WT3 H ATOM 36081 H2 TIP3 100 72.552 24.423 -14.425 1.00 0.00 WT3 H ATOM 36082 OH2 TIP3 101 74.258 75.072 -17.756 1.00 0.00 WT3 O ATOM 36083 H1 TIP3 101 74.027 74.988 -18.681 1.00 0.00 WT3 H ATOM 36084 H2 TIP3 101 74.391 76.011 -17.627 1.00 0.00 WT3 H ATOM 36085 OH2 TIP3 102 26.652 20.029 31.638 1.00 0.00 WT3 O ATOM 36086 H1 TIP3 102 26.628 20.921 31.983 1.00 0.00 WT3 H ATOM 36087 H2 TIP3 102 26.033 19.543 32.182 1.00 0.00 WT3 H ATOM 36088 OH2 TIP3 104 68.125 12.547 10.655 1.00 0.00 WT3 O ATOM 36089 H1 TIP3 104 68.780 11.875 10.844 1.00 0.00 WT3 H ATOM 36090 H2 TIP3 104 67.534 12.525 11.407 1.00 0.00 WT3 H ATOM 36091 OH2 TIP3 105 47.903 83.094 -13.529 1.00 0.00 WT3 O ATOM 36092 H1 TIP3 105 47.060 83.248 -13.955 1.00 0.00 WT3 H ATOM 36093 H2 TIP3 105 47.852 82.190 -13.217 1.00 0.00 WT3 H ATOM 36094 OH2 TIP3 106 73.637 86.466 23.135 1.00 0.00 WT3 O ATOM 36095 H1 TIP3 106 74.013 85.803 23.714 1.00 0.00 WT3 H ATOM 36096 H2 TIP3 106 72.790 86.104 22.873 1.00 0.00 WT3 H ATOM 36097 OH2 TIP3 107 81.725 51.946 58.156 1.00 0.00 WT3 O ATOM 36098 H1 TIP3 107 81.491 51.753 57.248 1.00 0.00 WT3 H ATOM 36099 H2 TIP3 107 81.291 52.778 58.344 1.00 0.00 WT3 H ATOM 36100 OH2 TIP3 108 34.413 35.430 58.264 1.00 0.00 WT3 O ATOM 36101 H1 TIP3 108 34.599 36.295 58.627 1.00 0.00 WT3 H ATOM 36102 H2 TIP3 108 33.835 35.018 58.907 1.00 0.00 WT3 H ATOM 36103 OH2 TIP3 109 26.422 56.778 28.341 1.00 0.00 WT3 O ATOM 36104 H1 TIP3 109 26.542 56.207 27.581 1.00 0.00 WT3 H ATOM 36105 H2 TIP3 109 26.217 56.180 29.060 1.00 0.00 WT3 H ATOM 36106 OH2 TIP3 110 83.185 84.061 -2.279 1.00 0.00 WT3 O ATOM 36107 H1 TIP3 110 84.076 83.954 -2.613 1.00 0.00 WT3 H ATOM 36108 H2 TIP3 110 83.263 84.735 -1.604 1.00 0.00 WT3 H ATOM 36109 OH2 TIP3 111 38.158 12.186 -2.004 1.00 0.00 WT3 O ATOM 36110 H1 TIP3 111 37.566 12.935 -2.074 1.00 0.00 WT3 H ATOM 36111 H2 TIP3 111 38.527 12.089 -2.882 1.00 0.00 WT3 H ATOM 36112 OH2 TIP3 112 49.130 53.718 66.024 1.00 0.00 WT3 O ATOM 36113 H1 TIP3 112 49.786 53.308 66.589 1.00 0.00 WT3 H ATOM 36114 H2 TIP3 112 48.592 54.238 66.620 1.00 0.00 WT3 H ATOM 36115 OH2 TIP3 113 41.436 37.264 26.956 1.00 0.00 WT3 O ATOM 36116 H1 TIP3 113 42.131 37.156 27.605 1.00 0.00 WT3 H ATOM 36117 H2 TIP3 113 41.776 36.845 26.166 1.00 0.00 WT3 H ATOM 36118 OH2 TIP3 114 87.715 88.459 63.078 1.00 0.00 WT3 O ATOM 36119 H1 TIP3 114 87.121 87.828 62.672 1.00 0.00 WT3 H ATOM 36120 H2 TIP3 114 87.971 88.050 63.905 1.00 0.00 WT3 H ATOM 36121 OH2 TIP3 115 69.455 69.819 13.146 1.00 0.00 WT3 O ATOM 36122 H1 TIP3 115 69.601 69.731 12.204 1.00 0.00 WT3 H ATOM 36123 H2 TIP3 115 70.058 69.190 13.542 1.00 0.00 WT3 H ATOM 36124 OH2 TIP3 118 69.609 53.826 37.764 1.00 0.00 WT3 O ATOM 36125 H1 TIP3 118 69.213 54.477 38.342 1.00 0.00 WT3 H ATOM 36126 H2 TIP3 118 69.644 54.253 36.908 1.00 0.00 WT3 H ATOM 36127 OH2 TIP3 119 60.026 68.035 -11.231 1.00 0.00 WT3 O ATOM 36128 H1 TIP3 119 60.908 68.177 -11.574 1.00 0.00 WT3 H ATOM 36129 H2 TIP3 119 60.005 68.529 -10.412 1.00 0.00 WT3 H ATOM 36130 OH2 TIP3 120 88.046 80.147 49.046 1.00 0.00 WT3 O ATOM 36131 H1 TIP3 120 87.663 80.163 48.169 1.00 0.00 WT3 H ATOM 36132 H2 TIP3 120 88.511 79.311 49.090 1.00 0.00 WT3 H ATOM 36133 OH2 TIP3 121 68.754 48.669 26.848 1.00 0.00 WT3 O ATOM 36134 H1 TIP3 121 69.535 48.855 26.327 1.00 0.00 WT3 H ATOM 36135 H2 TIP3 121 68.031 48.718 26.223 1.00 0.00 WT3 H ATOM 36136 OH2 TIP3 122 83.577 90.970 35.420 1.00 0.00 WT3 O ATOM 36137 H1 TIP3 122 83.424 91.395 34.575 1.00 0.00 WT3 H ATOM 36138 H2 TIP3 122 84.030 91.632 35.942 1.00 0.00 WT3 H ATOM 36139 OH2 TIP3 124 64.695 63.921 -8.824 1.00 0.00 WT3 O ATOM 36140 H1 TIP3 124 64.977 63.944 -9.738 1.00 0.00 WT3 H ATOM 36141 H2 TIP3 124 63.781 64.205 -8.847 1.00 0.00 WT3 H ATOM 36142 OH2 TIP3 125 71.571 63.784 4.637 1.00 0.00 WT3 O ATOM 36143 H1 TIP3 125 71.091 64.604 4.749 1.00 0.00 WT3 H ATOM 36144 H2 TIP3 125 72.022 63.653 5.471 1.00 0.00 WT3 H ATOM 36145 OH2 TIP3 126 86.587 80.405 56.228 1.00 0.00 WT3 O ATOM 36146 H1 TIP3 126 86.375 81.129 56.817 1.00 0.00 WT3 H ATOM 36147 H2 TIP3 126 85.916 80.447 55.546 1.00 0.00 WT3 H ATOM 36148 OH2 TIP3 127 37.942 68.471 51.674 1.00 0.00 WT3 O ATOM 36149 H1 TIP3 127 38.613 68.784 51.067 1.00 0.00 WT3 H ATOM 36150 H2 TIP3 127 37.437 67.836 51.167 1.00 0.00 WT3 H ATOM 36151 OH2 TIP3 128 48.388 5.779 -18.185 1.00 0.00 WT3 O ATOM 36152 H1 TIP3 128 48.222 5.149 -17.484 1.00 0.00 WT3 H ATOM 36153 H2 TIP3 128 48.379 6.631 -17.749 1.00 0.00 WT3 H ATOM 36154 OH2 TIP3 129 42.923 63.053 50.424 1.00 0.00 WT3 O ATOM 36155 H1 TIP3 129 43.111 62.718 49.547 1.00 0.00 WT3 H ATOM 36156 H2 TIP3 129 42.737 63.982 50.292 1.00 0.00 WT3 H ATOM 36157 OH2 TIP3 130 51.120 16.452 21.716 1.00 0.00 WT3 O ATOM 36158 H1 TIP3 130 51.528 16.916 22.447 1.00 0.00 WT3 H ATOM 36159 H2 TIP3 130 50.516 17.089 21.335 1.00 0.00 WT3 H ATOM 36160 OH2 TIP3 131 27.633 3.632 17.126 1.00 0.00 WT3 O ATOM 36161 H1 TIP3 131 26.997 3.078 17.578 1.00 0.00 WT3 H ATOM 36162 H2 TIP3 131 27.536 3.405 16.202 1.00 0.00 WT3 H ATOM 36163 OH2 TIP3 132 66.154 3.707 -10.305 1.00 0.00 WT3 O ATOM 36164 H1 TIP3 132 66.543 4.420 -9.798 1.00 0.00 WT3 H ATOM 36165 H2 TIP3 132 66.435 3.873 -11.206 1.00 0.00 WT3 H ATOM 36166 OH2 TIP3 133 34.471 59.885 61.085 1.00 0.00 WT3 O ATOM 36167 H1 TIP3 133 34.408 59.116 61.652 1.00 0.00 WT3 H ATOM 36168 H2 TIP3 133 34.824 59.548 60.261 1.00 0.00 WT3 H ATOM 36169 OH2 TIP3 134 90.789 90.871 -19.564 1.00 0.00 WT3 O ATOM 36170 H1 TIP3 134 90.834 91.596 -18.941 1.00 0.00 WT3 H ATOM 36171 H2 TIP3 134 90.004 90.386 -19.311 1.00 0.00 WT3 H ATOM 36172 OH2 TIP3 135 54.074 92.565 50.673 1.00 0.00 WT3 O ATOM 36173 H1 TIP3 135 54.692 93.057 50.132 1.00 0.00 WT3 H ATOM 36174 H2 TIP3 135 53.766 93.198 51.322 1.00 0.00 WT3 H ATOM 36175 OH2 TIP3 136 81.120 85.016 30.065 1.00 0.00 WT3 O ATOM 36176 H1 TIP3 136 80.423 85.174 29.427 1.00 0.00 WT3 H ATOM 36177 H2 TIP3 136 81.204 85.843 30.539 1.00 0.00 WT3 H ATOM 36178 OH2 TIP3 137 50.876 8.259 55.161 1.00 0.00 WT3 O ATOM 36179 H1 TIP3 137 51.223 7.378 55.300 1.00 0.00 WT3 H ATOM 36180 H2 TIP3 137 49.970 8.211 55.467 1.00 0.00 WT3 H ATOM 36181 OH2 TIP3 138 70.477 32.219 19.495 1.00 0.00 WT3 O ATOM 36182 H1 TIP3 138 70.539 32.307 20.446 1.00 0.00 WT3 H ATOM 36183 H2 TIP3 138 70.947 31.409 19.297 1.00 0.00 WT3 H ATOM 36184 OH2 TIP3 139 23.059 73.539 13.649 1.00 0.00 WT3 O ATOM 36185 H1 TIP3 139 22.598 73.954 12.920 1.00 0.00 WT3 H ATOM 36186 H2 TIP3 139 23.953 73.415 13.328 1.00 0.00 WT3 H ATOM 36187 OH2 TIP3 140 33.095 50.875 21.070 1.00 0.00 WT3 O ATOM 36188 H1 TIP3 140 33.730 50.483 20.470 1.00 0.00 WT3 H ATOM 36189 H2 TIP3 140 33.200 51.819 20.946 1.00 0.00 WT3 H ATOM 36190 OH2 TIP3 141 78.422 84.924 36.989 1.00 0.00 WT3 O ATOM 36191 H1 TIP3 141 77.816 85.655 37.111 1.00 0.00 WT3 H ATOM 36192 H2 TIP3 141 79.138 85.102 37.599 1.00 0.00 WT3 H ATOM 36193 OH2 TIP3 142 82.389 94.241 22.442 1.00 0.00 WT3 O ATOM 36194 H1 TIP3 142 81.564 94.460 22.010 1.00 0.00 WT3 H ATOM 36195 H2 TIP3 142 82.138 94.021 23.339 1.00 0.00 WT3 H ATOM 36196 OH2 TIP3 143 40.381 73.469 51.493 1.00 0.00 WT3 O ATOM 36197 H1 TIP3 143 40.356 73.022 50.646 1.00 0.00 WT3 H ATOM 36198 H2 TIP3 143 39.633 73.115 51.973 1.00 0.00 WT3 H ATOM 36199 OH2 TIP3 144 63.198 90.054 61.212 1.00 0.00 WT3 O ATOM 36200 H1 TIP3 144 63.067 90.223 60.279 1.00 0.00 WT3 H ATOM 36201 H2 TIP3 144 62.969 89.131 61.323 1.00 0.00 WT3 H ATOM 36202 OH2 TIP3 145 68.984 67.926 1.878 1.00 0.00 WT3 O ATOM 36203 H1 TIP3 145 68.702 68.841 1.848 1.00 0.00 WT3 H ATOM 36204 H2 TIP3 145 68.575 67.575 2.669 1.00 0.00 WT3 H ATOM 36205 OH2 TIP3 147 46.696 86.313 20.071 1.00 0.00 WT3 O ATOM 36206 H1 TIP3 147 47.452 86.644 20.557 1.00 0.00 WT3 H ATOM 36207 H2 TIP3 147 46.549 85.436 20.424 1.00 0.00 WT3 H ATOM 36208 OH2 TIP3 148 32.461 1.165 42.119 1.00 0.00 WT3 O ATOM 36209 H1 TIP3 148 31.659 0.746 42.431 1.00 0.00 WT3 H ATOM 36210 H2 TIP3 148 32.528 0.903 41.201 1.00 0.00 WT3 H ATOM 36211 OH2 TIP3 149 85.101 84.499 -14.064 1.00 0.00 WT3 O ATOM 36212 H1 TIP3 149 84.387 84.086 -13.578 1.00 0.00 WT3 H ATOM 36213 H2 TIP3 149 85.844 83.907 -13.948 1.00 0.00 WT3 H ATOM 36214 OH2 TIP3 150 45.405 65.941 -19.290 1.00 0.00 WT3 O ATOM 36215 H1 TIP3 150 46.347 66.011 -19.444 1.00 0.00 WT3 H ATOM 36216 H2 TIP3 150 45.047 66.770 -19.608 1.00 0.00 WT3 H ATOM 36217 OH2 TIP3 151 42.735 56.798 -12.785 1.00 0.00 WT3 O ATOM 36218 H1 TIP3 151 43.109 57.660 -12.605 1.00 0.00 WT3 H ATOM 36219 H2 TIP3 151 43.469 56.192 -12.684 1.00 0.00 WT3 H ATOM 36220 OH2 TIP3 152 81.391 57.002 -9.766 1.00 0.00 WT3 O ATOM 36221 H1 TIP3 152 80.803 57.416 -9.135 1.00 0.00 WT3 H ATOM 36222 H2 TIP3 152 80.925 56.215 -10.048 1.00 0.00 WT3 H ATOM 36223 OH2 TIP3 154 27.432 73.525 32.735 1.00 0.00 WT3 O ATOM 36224 H1 TIP3 154 28.381 73.640 32.701 1.00 0.00 WT3 H ATOM 36225 H2 TIP3 154 27.080 74.302 32.302 1.00 0.00 WT3 H ATOM 36226 OH2 TIP3 155 81.333 79.040 28.777 1.00 0.00 WT3 O ATOM 36227 H1 TIP3 155 80.988 78.312 29.292 1.00 0.00 WT3 H ATOM 36228 H2 TIP3 155 80.586 79.347 28.264 1.00 0.00 WT3 H ATOM 36229 OH2 TIP3 156 20.765 57.947 -16.850 1.00 0.00 WT3 O ATOM 36230 H1 TIP3 156 20.170 58.661 -16.621 1.00 0.00 WT3 H ATOM 36231 H2 TIP3 156 21.554 58.119 -16.336 1.00 0.00 WT3 H ATOM 36232 OH2 TIP3 157 35.074 26.173 -3.030 1.00 0.00 WT3 O ATOM 36233 H1 TIP3 157 34.488 26.215 -2.274 1.00 0.00 WT3 H ATOM 36234 H2 TIP3 157 35.895 25.829 -2.678 1.00 0.00 WT3 H ATOM 36235 OH2 TIP3 158 29.420 60.832 14.031 1.00 0.00 WT3 O ATOM 36236 H1 TIP3 158 29.724 60.527 14.886 1.00 0.00 WT3 H ATOM 36237 H2 TIP3 158 30.057 60.478 13.410 1.00 0.00 WT3 H ATOM 36238 OH2 TIP3 159 65.076 65.594 36.334 1.00 0.00 WT3 O ATOM 36239 H1 TIP3 159 64.738 65.423 37.214 1.00 0.00 WT3 H ATOM 36240 H2 TIP3 159 64.803 64.833 35.821 1.00 0.00 WT3 H ATOM 36241 OH2 TIP3 160 60.707 74.432 46.602 1.00 0.00 WT3 O ATOM 36242 H1 TIP3 160 60.977 73.537 46.810 1.00 0.00 WT3 H ATOM 36243 H2 TIP3 160 61.267 74.687 45.869 1.00 0.00 WT3 H ATOM 36244 OH2 TIP3 161 73.223 33.937 -8.117 1.00 0.00 WT3 O ATOM 36245 H1 TIP3 161 73.972 33.915 -8.712 1.00 0.00 WT3 H ATOM 36246 H2 TIP3 161 73.610 33.899 -7.242 1.00 0.00 WT3 H ATOM 36247 OH2 TIP3 162 84.306 34.769 13.810 1.00 0.00 WT3 O ATOM 36248 H1 TIP3 162 85.183 34.402 13.699 1.00 0.00 WT3 H ATOM 36249 H2 TIP3 162 83.788 34.047 14.167 1.00 0.00 WT3 H ATOM 36250 OH2 TIP3 164 46.897 17.018 -5.210 1.00 0.00 WT3 O ATOM 36251 H1 TIP3 164 46.094 17.135 -5.718 1.00 0.00 WT3 H ATOM 36252 H2 TIP3 164 46.628 17.153 -4.302 1.00 0.00 WT3 H ATOM 36253 OH2 TIP3 165 21.903 39.002 44.753 1.00 0.00 WT3 O ATOM 36254 H1 TIP3 165 21.662 39.580 44.030 1.00 0.00 WT3 H ATOM 36255 H2 TIP3 165 21.381 39.312 45.493 1.00 0.00 WT3 H ATOM 36256 OH2 TIP3 166 27.111 19.928 -10.324 1.00 0.00 WT3 O ATOM 36257 H1 TIP3 166 27.787 20.602 -10.388 1.00 0.00 WT3 H ATOM 36258 H2 TIP3 166 26.701 20.080 -9.472 1.00 0.00 WT3 H ATOM 36259 OH2 TIP3 167 44.669 72.509 57.720 1.00 0.00 WT3 O ATOM 36260 H1 TIP3 167 44.384 73.307 57.276 1.00 0.00 WT3 H ATOM 36261 H2 TIP3 167 43.862 72.127 58.066 1.00 0.00 WT3 H ATOM 36262 OH2 TIP3 169 50.174 55.455 56.844 1.00 0.00 WT3 O ATOM 36263 H1 TIP3 169 50.652 55.833 57.582 1.00 0.00 WT3 H ATOM 36264 H2 TIP3 169 50.008 56.197 56.261 1.00 0.00 WT3 H ATOM 36265 OH2 TIP3 171 42.061 41.242 -10.829 1.00 0.00 WT3 O ATOM 36266 H1 TIP3 171 42.724 40.580 -10.634 1.00 0.00 WT3 H ATOM 36267 H2 TIP3 171 41.603 41.376 -9.999 1.00 0.00 WT3 H ATOM 36268 OH2 TIP3 176 66.555 72.798 36.159 1.00 0.00 WT3 O ATOM 36269 H1 TIP3 176 65.688 73.205 36.161 1.00 0.00 WT3 H ATOM 36270 H2 TIP3 176 66.585 72.299 35.343 1.00 0.00 WT3 H ATOM 36271 OH2 TIP3 177 86.457 2.285 54.914 1.00 0.00 WT3 O ATOM 36272 H1 TIP3 177 86.840 2.741 55.664 1.00 0.00 WT3 H ATOM 36273 H2 TIP3 177 87.155 1.709 54.602 1.00 0.00 WT3 H ATOM 36274 OH2 TIP3 180 75.915 61.728 -14.607 1.00 0.00 WT3 O ATOM 36275 H1 TIP3 180 76.136 61.881 -13.689 1.00 0.00 WT3 H ATOM 36276 H2 TIP3 180 75.388 62.487 -14.858 1.00 0.00 WT3 H ATOM 36277 OH2 TIP3 182 24.709 34.419 29.130 1.00 0.00 WT3 O ATOM 36278 H1 TIP3 182 24.255 35.259 29.070 1.00 0.00 WT3 H ATOM 36279 H2 TIP3 182 24.680 34.066 28.241 1.00 0.00 WT3 H ATOM 36280 OH2 TIP3 183 45.728 74.330 27.655 1.00 0.00 WT3 O ATOM 36281 H1 TIP3 183 46.525 74.438 27.135 1.00 0.00 WT3 H ATOM 36282 H2 TIP3 183 46.040 74.063 28.520 1.00 0.00 WT3 H ATOM 36283 OH2 TIP3 184 51.542 92.639 -9.412 1.00 0.00 WT3 O ATOM 36284 H1 TIP3 184 51.195 91.770 -9.614 1.00 0.00 WT3 H ATOM 36285 H2 TIP3 184 50.860 93.053 -8.883 1.00 0.00 WT3 H ATOM 36286 OH2 TIP3 186 63.384 85.034 -16.292 1.00 0.00 WT3 O ATOM 36287 H1 TIP3 186 64.145 84.751 -15.785 1.00 0.00 WT3 H ATOM 36288 H2 TIP3 186 62.831 85.492 -15.658 1.00 0.00 WT3 H ATOM 36289 OH2 TIP3 187 35.553 60.603 22.727 1.00 0.00 WT3 O ATOM 36290 H1 TIP3 187 36.212 61.295 22.785 1.00 0.00 WT3 H ATOM 36291 H2 TIP3 187 34.844 60.899 23.297 1.00 0.00 WT3 H ATOM 36292 OH2 TIP3 188 23.508 50.805 -5.543 1.00 0.00 WT3 O ATOM 36293 H1 TIP3 188 22.740 50.636 -6.090 1.00 0.00 WT3 H ATOM 36294 H2 TIP3 188 23.425 50.188 -4.816 1.00 0.00 WT3 H ATOM 36295 OH2 TIP3 192 69.014 23.469 -1.976 1.00 0.00 WT3 O ATOM 36296 H1 TIP3 192 68.369 22.800 -1.747 1.00 0.00 WT3 H ATOM 36297 H2 TIP3 192 69.405 23.156 -2.791 1.00 0.00 WT3 H ATOM 36298 OH2 TIP3 193 63.909 34.964 2.515 1.00 0.00 WT3 O ATOM 36299 H1 TIP3 193 64.325 34.514 1.779 1.00 0.00 WT3 H ATOM 36300 H2 TIP3 193 63.402 35.668 2.110 1.00 0.00 WT3 H ATOM 36301 OH2 TIP3 197 43.126 73.650 62.529 1.00 0.00 WT3 O ATOM 36302 H1 TIP3 197 43.875 73.973 62.028 1.00 0.00 WT3 H ATOM 36303 H2 TIP3 197 42.376 74.127 62.174 1.00 0.00 WT3 H ATOM 36304 OH2 TIP3 200 59.124 30.822 34.571 1.00 0.00 WT3 O ATOM 36305 H1 TIP3 200 58.652 29.995 34.478 1.00 0.00 WT3 H ATOM 36306 H2 TIP3 200 58.693 31.416 33.955 1.00 0.00 WT3 H ATOM 36307 OH2 TIP3 201 56.971 0.963 10.936 1.00 0.00 WT3 O ATOM 36308 H1 TIP3 201 56.946 1.910 10.801 1.00 0.00 WT3 H ATOM 36309 H2 TIP3 201 57.199 0.858 11.860 1.00 0.00 WT3 H ATOM 36310 OH2 TIP3 203 73.169 63.765 53.839 1.00 0.00 WT3 O ATOM 36311 H1 TIP3 203 73.500 64.646 54.013 1.00 0.00 WT3 H ATOM 36312 H2 TIP3 203 72.850 63.803 52.938 1.00 0.00 WT3 H ATOM 36313 OH2 TIP3 204 44.366 11.484 23.405 1.00 0.00 WT3 O ATOM 36314 H1 TIP3 204 44.966 10.763 23.214 1.00 0.00 WT3 H ATOM 36315 H2 TIP3 204 44.069 11.784 22.546 1.00 0.00 WT3 H ATOM 36316 OH2 TIP3 210 70.868 52.473 34.114 1.00 0.00 WT3 O ATOM 36317 H1 TIP3 210 70.786 52.568 35.063 1.00 0.00 WT3 H ATOM 36318 H2 TIP3 210 71.108 53.346 33.805 1.00 0.00 WT3 H ATOM 36319 OH2 TIP3 212 89.707 76.653 9.440 1.00 0.00 WT3 O ATOM 36320 H1 TIP3 212 90.607 76.859 9.187 1.00 0.00 WT3 H ATOM 36321 H2 TIP3 212 89.168 77.066 8.766 1.00 0.00 WT3 H ATOM 36322 OH2 TIP3 215 54.079 46.369 49.631 1.00 0.00 WT3 O ATOM 36323 H1 TIP3 215 54.813 46.720 50.136 1.00 0.00 WT3 H ATOM 36324 H2 TIP3 215 53.854 45.550 50.073 1.00 0.00 WT3 H ATOM 36325 OH2 TIP3 221 86.535 58.149 27.157 1.00 0.00 WT3 O ATOM 36326 H1 TIP3 221 86.283 58.410 28.043 1.00 0.00 WT3 H ATOM 36327 H2 TIP3 221 87.337 58.642 26.981 1.00 0.00 WT3 H ATOM 36328 OH2 TIP3 223 67.470 52.387 41.168 1.00 0.00 WT3 O ATOM 36329 H1 TIP3 223 66.690 52.054 40.724 1.00 0.00 WT3 H ATOM 36330 H2 TIP3 223 67.165 52.623 42.044 1.00 0.00 WT3 H ATOM 36331 OH2 TIP3 225 67.741 41.883 -0.460 1.00 0.00 WT3 O ATOM 36332 H1 TIP3 225 68.229 41.086 -0.666 1.00 0.00 WT3 H ATOM 36333 H2 TIP3 225 68.310 42.595 -0.753 1.00 0.00 WT3 H ATOM 36334 OH2 TIP3 232 53.558 1.890 34.690 1.00 0.00 WT3 O ATOM 36335 H1 TIP3 232 54.182 2.614 34.637 1.00 0.00 WT3 H ATOM 36336 H2 TIP3 232 53.169 1.845 33.817 1.00 0.00 WT3 H ATOM 36337 OH2 TIP3 234 77.734 93.676 3.595 1.00 0.00 WT3 O ATOM 36338 H1 TIP3 234 77.631 94.450 3.040 1.00 0.00 WT3 H ATOM 36339 H2 TIP3 234 76.852 93.311 3.665 1.00 0.00 WT3 H ATOM 36340 OH2 TIP3 236 67.794 77.254 -3.252 1.00 0.00 WT3 O ATOM 36341 H1 TIP3 236 67.112 76.993 -3.872 1.00 0.00 WT3 H ATOM 36342 H2 TIP3 236 68.560 76.742 -3.509 1.00 0.00 WT3 H ATOM 36343 OH2 TIP3 237 38.526 22.644 38.737 1.00 0.00 WT3 O ATOM 36344 H1 TIP3 237 38.787 23.315 38.106 1.00 0.00 WT3 H ATOM 36345 H2 TIP3 237 39.303 22.095 38.838 1.00 0.00 WT3 H ATOM 36346 OH2 TIP3 239 43.988 75.908 -8.052 1.00 0.00 WT3 O ATOM 36347 H1 TIP3 239 44.467 76.019 -7.230 1.00 0.00 WT3 H ATOM 36348 H2 TIP3 239 44.556 76.299 -8.716 1.00 0.00 WT3 H ATOM 36349 OH2 TIP3 241 88.213 0.509 66.421 1.00 0.00 WT3 O ATOM 36350 H1 TIP3 241 88.852 0.683 65.730 1.00 0.00 WT3 H ATOM 36351 H2 TIP3 241 87.377 0.433 65.961 1.00 0.00 WT3 H ATOM 36352 OH2 TIP3 245 64.219 62.813 37.173 1.00 0.00 WT3 O ATOM 36353 H1 TIP3 245 63.801 62.377 37.916 1.00 0.00 WT3 H ATOM 36354 H2 TIP3 245 63.523 62.899 36.522 1.00 0.00 WT3 H ATOM 36355 OH2 TIP3 256 46.451 87.403 -17.166 1.00 0.00 WT3 O ATOM 36356 H1 TIP3 256 46.810 87.248 -18.039 1.00 0.00 WT3 H ATOM 36357 H2 TIP3 256 45.930 86.622 -16.978 1.00 0.00 WT3 H ATOM 36358 OH2 TIP3 261 78.078 28.540 -15.931 1.00 0.00 WT3 O ATOM 36359 H1 TIP3 261 77.751 28.482 -16.829 1.00 0.00 WT3 H ATOM 36360 H2 TIP3 261 77.370 28.962 -15.444 1.00 0.00 WT3 H ATOM 36361 OH2 TIP3 268 88.052 73.368 40.456 1.00 0.00 WT3 O ATOM 36362 H1 TIP3 268 87.796 73.154 41.353 1.00 0.00 WT3 H ATOM 36363 H2 TIP3 268 88.792 72.789 40.273 1.00 0.00 WT3 H ATOM 36364 OH2 TIP3 270 34.184 91.882 9.043 1.00 0.00 WT3 O ATOM 36365 H1 TIP3 270 33.958 90.967 8.879 1.00 0.00 WT3 H ATOM 36366 H2 TIP3 270 34.924 91.841 9.650 1.00 0.00 WT3 H ATOM 36367 OH2 TIP3 272 75.154 70.861 55.064 1.00 0.00 WT3 O ATOM 36368 H1 TIP3 272 74.866 70.698 54.166 1.00 0.00 WT3 H ATOM 36369 H2 TIP3 272 75.384 69.996 55.403 1.00 0.00 WT3 H ATOM 36370 OH2 TIP3 282 46.585 84.489 2.841 1.00 0.00 WT3 O ATOM 36371 H1 TIP3 282 46.466 84.815 1.949 1.00 0.00 WT3 H ATOM 36372 H2 TIP3 282 47.447 84.072 2.831 1.00 0.00 WT3 H ATOM 36373 OH2 TIP3 287 80.160 42.607 37.421 1.00 0.00 WT3 O ATOM 36374 H1 TIP3 287 80.848 42.201 37.949 1.00 0.00 WT3 H ATOM 36375 H2 TIP3 287 80.342 42.320 36.526 1.00 0.00 WT3 H ATOM 36376 OH2 TIP3 290 71.889 58.755 1.391 1.00 0.00 WT3 O ATOM 36377 H1 TIP3 290 71.968 58.929 2.329 1.00 0.00 WT3 H ATOM 36378 H2 TIP3 290 71.535 57.868 1.340 1.00 0.00 WT3 H ATOM 36379 OH2 TIP3 313 22.391 32.977 25.390 1.00 0.00 WT3 O ATOM 36380 H1 TIP3 313 22.044 33.847 25.588 1.00 0.00 WT3 H ATOM 36381 H2 TIP3 313 23.287 32.993 25.729 1.00 0.00 WT3 H ATOM 36382 OH2 TIP3 360 62.524 22.540 4.041 1.00 0.00 WT3 O ATOM 36383 H1 TIP3 360 62.033 22.651 3.227 1.00 0.00 WT3 H ATOM 36384 H2 TIP3 360 63.352 22.993 3.886 1.00 0.00 WT3 H ATOM 36385 OH2 TIP3 365 87.550 50.177 3.835 1.00 0.00 WT3 O ATOM 36386 H1 TIP3 365 88.014 50.284 4.665 1.00 0.00 WT3 H ATOM 36387 H2 TIP3 365 87.106 49.333 3.916 1.00 0.00 WT3 H ATOM 36388 OH2 TIP3 370 48.453 82.588 25.962 1.00 0.00 WT3 O ATOM 36389 H1 TIP3 370 47.585 82.184 25.969 1.00 0.00 WT3 H ATOM 36390 H2 TIP3 370 49.062 81.851 25.992 1.00 0.00 WT3 H ATOM 36391 OH2 TIP3 379 83.666 10.818 62.261 1.00 0.00 WT3 O ATOM 36392 H1 TIP3 379 84.544 11.146 62.454 1.00 0.00 WT3 H ATOM 36393 H2 TIP3 379 83.777 10.284 61.474 1.00 0.00 WT3 H ATOM 36394 OH2 TIP3 400 75.091 21.049 49.704 1.00 0.00 WT3 O ATOM 36395 H1 TIP3 400 74.145 20.907 49.672 1.00 0.00 WT3 H ATOM 36396 H2 TIP3 400 75.201 21.980 49.513 1.00 0.00 WT3 H ATOM 36397 OH2 TIP3 407 46.282 56.662 -0.978 1.00 0.00 WT3 O ATOM 36398 H1 TIP3 407 47.229 56.625 -0.837 1.00 0.00 WT3 H ATOM 36399 H2 TIP3 407 45.955 57.209 -0.264 1.00 0.00 WT3 H ATOM 36400 OH2 TIP3 408 30.503 37.989 31.413 1.00 0.00 WT3 O ATOM 36401 H1 TIP3 408 31.030 38.187 30.639 1.00 0.00 WT3 H ATOM 36402 H2 TIP3 408 30.995 38.367 32.142 1.00 0.00 WT3 H ATOM 36403 OH2 TIP3 411 55.165 2.655 22.978 1.00 0.00 WT3 O ATOM 36404 H1 TIP3 411 55.495 1.776 23.162 1.00 0.00 WT3 H ATOM 36405 H2 TIP3 411 54.421 2.513 22.392 1.00 0.00 WT3 H ATOM 36406 OH2 TIP3 412 79.668 17.163 63.476 1.00 0.00 WT3 O ATOM 36407 H1 TIP3 412 78.860 16.726 63.743 1.00 0.00 WT3 H ATOM 36408 H2 TIP3 412 79.508 17.433 62.572 1.00 0.00 WT3 H ATOM 36409 OH2 TIP3 413 83.042 40.524 43.648 1.00 0.00 WT3 O ATOM 36410 H1 TIP3 413 82.087 40.530 43.715 1.00 0.00 WT3 H ATOM 36411 H2 TIP3 413 83.298 39.654 43.953 1.00 0.00 WT3 H ATOM 36412 OH2 TIP3 417 36.246 1.521 30.024 1.00 0.00 WT3 O ATOM 36413 H1 TIP3 417 35.922 2.107 30.708 1.00 0.00 WT3 H ATOM 36414 H2 TIP3 417 36.230 2.050 29.227 1.00 0.00 WT3 H ATOM 36415 OH2 TIP3 421 58.647 67.328 -17.339 1.00 0.00 WT3 O ATOM 36416 H1 TIP3 421 58.179 68.117 -17.067 1.00 0.00 WT3 H ATOM 36417 H2 TIP3 421 57.973 66.769 -17.724 1.00 0.00 WT3 H ATOM 36418 OH2 TIP3 424 23.968 74.619 17.890 1.00 0.00 WT3 O ATOM 36419 H1 TIP3 424 23.541 74.301 18.685 1.00 0.00 WT3 H ATOM 36420 H2 TIP3 424 24.750 75.074 18.203 1.00 0.00 WT3 H ATOM 36421 OH2 TIP3 429 52.608 15.505 6.756 1.00 0.00 WT3 O ATOM 36422 H1 TIP3 429 52.687 15.664 5.816 1.00 0.00 WT3 H ATOM 36423 H2 TIP3 429 51.973 16.155 7.057 1.00 0.00 WT3 H ATOM 36424 OH2 TIP3 430 85.028 58.108 23.766 1.00 0.00 WT3 O ATOM 36425 H1 TIP3 430 85.266 57.181 23.752 1.00 0.00 WT3 H ATOM 36426 H2 TIP3 430 84.503 58.232 22.975 1.00 0.00 WT3 H ATOM 36427 OH2 TIP3 432 65.833 48.341 38.521 1.00 0.00 WT3 O ATOM 36428 H1 TIP3 432 66.218 49.145 38.171 1.00 0.00 WT3 H ATOM 36429 H2 TIP3 432 65.101 48.151 37.934 1.00 0.00 WT3 H ATOM 36430 OH2 TIP3 434 41.919 43.340 53.716 1.00 0.00 WT3 O ATOM 36431 H1 TIP3 434 41.875 43.691 52.827 1.00 0.00 WT3 H ATOM 36432 H2 TIP3 434 42.609 43.850 54.141 1.00 0.00 WT3 H ATOM 36433 OH2 TIP3 436 49.410 35.803 23.491 1.00 0.00 WT3 O ATOM 36434 H1 TIP3 436 49.901 35.026 23.761 1.00 0.00 WT3 H ATOM 36435 H2 TIP3 436 50.031 36.308 22.966 1.00 0.00 WT3 H ATOM 36436 OH2 TIP3 437 89.236 36.238 -16.604 1.00 0.00 WT3 O ATOM 36437 H1 TIP3 437 89.417 36.948 -15.987 1.00 0.00 WT3 H ATOM 36438 H2 TIP3 437 89.020 36.682 -17.424 1.00 0.00 WT3 H ATOM 36439 OH2 TIP3 438 60.982 71.436 30.591 1.00 0.00 WT3 O ATOM 36440 H1 TIP3 438 60.465 72.113 30.156 1.00 0.00 WT3 H ATOM 36441 H2 TIP3 438 60.332 70.843 30.969 1.00 0.00 WT3 H ATOM 36442 OH2 TIP3 440 52.747 78.113 52.152 1.00 0.00 WT3 O ATOM 36443 H1 TIP3 440 52.549 77.946 51.230 1.00 0.00 WT3 H ATOM 36444 H2 TIP3 440 52.136 77.555 52.633 1.00 0.00 WT3 H ATOM 36445 OH2 TIP3 441 26.686 36.667 44.452 1.00 0.00 WT3 O ATOM 36446 H1 TIP3 441 25.990 36.939 43.855 1.00 0.00 WT3 H ATOM 36447 H2 TIP3 441 27.308 36.196 43.897 1.00 0.00 WT3 H ATOM 36448 OH2 TIP3 442 24.726 3.765 -15.073 1.00 0.00 WT3 O ATOM 36449 H1 TIP3 442 23.952 4.307 -14.922 1.00 0.00 WT3 H ATOM 36450 H2 TIP3 442 24.975 3.948 -15.979 1.00 0.00 WT3 H ATOM 36451 OH2 TIP3 443 68.388 73.189 -0.054 1.00 0.00 WT3 O ATOM 36452 H1 TIP3 443 68.641 72.961 -0.949 1.00 0.00 WT3 H ATOM 36453 H2 TIP3 443 67.674 73.818 -0.160 1.00 0.00 WT3 H ATOM 36454 OH2 TIP3 444 79.955 56.845 59.002 1.00 0.00 WT3 O ATOM 36455 H1 TIP3 444 80.217 56.624 59.896 1.00 0.00 WT3 H ATOM 36456 H2 TIP3 444 80.274 57.738 58.871 1.00 0.00 WT3 H ATOM 36457 OH2 TIP3 447 51.842 91.119 32.339 1.00 0.00 WT3 O ATOM 36458 H1 TIP3 447 51.554 91.459 31.492 1.00 0.00 WT3 H ATOM 36459 H2 TIP3 447 51.049 90.756 32.734 1.00 0.00 WT3 H ATOM 36460 OH2 TIP3 449 49.481 89.533 13.252 1.00 0.00 WT3 O ATOM 36461 H1 TIP3 449 49.610 89.293 14.170 1.00 0.00 WT3 H ATOM 36462 H2 TIP3 449 48.574 89.836 13.208 1.00 0.00 WT3 H ATOM 36463 OH2 TIP3 450 85.937 95.962 4.247 1.00 0.00 WT3 O ATOM 36464 H1 TIP3 450 85.480 96.058 3.412 1.00 0.00 WT3 H ATOM 36465 H2 TIP3 450 86.448 96.767 4.335 1.00 0.00 WT3 H ATOM 36466 OH2 TIP3 451 71.145 93.283 59.050 1.00 0.00 WT3 O ATOM 36467 H1 TIP3 451 71.728 92.707 59.545 1.00 0.00 WT3 H ATOM 36468 H2 TIP3 451 71.621 94.111 58.989 1.00 0.00 WT3 H ATOM 36469 OH2 TIP3 452 78.700 92.175 5.895 1.00 0.00 WT3 O ATOM 36470 H1 TIP3 452 78.766 92.799 5.171 1.00 0.00 WT3 H ATOM 36471 H2 TIP3 452 78.905 92.691 6.675 1.00 0.00 WT3 H ATOM 36472 OH2 TIP3 453 22.036 86.235 52.855 1.00 0.00 WT3 O ATOM 36473 H1 TIP3 453 22.107 86.707 52.024 1.00 0.00 WT3 H ATOM 36474 H2 TIP3 453 22.506 86.784 53.483 1.00 0.00 WT3 H ATOM 36475 OH2 TIP3 455 23.855 39.625 20.335 1.00 0.00 WT3 O ATOM 36476 H1 TIP3 455 23.499 39.046 19.661 1.00 0.00 WT3 H ATOM 36477 H2 TIP3 455 23.274 40.386 20.329 1.00 0.00 WT3 H ATOM 36478 OH2 TIP3 457 22.551 19.935 40.663 1.00 0.00 WT3 O ATOM 36479 H1 TIP3 457 23.339 19.765 41.179 1.00 0.00 WT3 H ATOM 36480 H2 TIP3 457 21.895 19.340 41.023 1.00 0.00 WT3 H ATOM 36481 OH2 TIP3 458 25.284 80.338 46.384 1.00 0.00 WT3 O ATOM 36482 H1 TIP3 458 24.713 79.927 45.735 1.00 0.00 WT3 H ATOM 36483 H2 TIP3 458 24.924 80.065 47.227 1.00 0.00 WT3 H ATOM 36484 OH2 TIP3 459 72.860 41.701 40.154 1.00 0.00 WT3 O ATOM 36485 H1 TIP3 459 72.172 41.089 39.891 1.00 0.00 WT3 H ATOM 36486 H2 TIP3 459 73.660 41.339 39.774 1.00 0.00 WT3 H ATOM 36487 OH2 TIP3 461 50.986 7.345 -2.686 1.00 0.00 WT3 O ATOM 36488 H1 TIP3 461 51.018 7.802 -1.846 1.00 0.00 WT3 H ATOM 36489 H2 TIP3 461 51.381 6.491 -2.510 1.00 0.00 WT3 H ATOM 36490 OH2 TIP3 462 65.690 61.965 30.823 1.00 0.00 WT3 O ATOM 36491 H1 TIP3 462 65.943 61.086 30.543 1.00 0.00 WT3 H ATOM 36492 H2 TIP3 462 64.735 61.974 30.755 1.00 0.00 WT3 H ATOM 36493 OH2 TIP3 463 58.099 70.916 37.553 1.00 0.00 WT3 O ATOM 36494 H1 TIP3 463 57.576 71.303 36.850 1.00 0.00 WT3 H ATOM 36495 H2 TIP3 463 58.693 70.313 37.106 1.00 0.00 WT3 H ATOM 36496 OH2 TIP3 465 52.627 3.530 -12.106 1.00 0.00 WT3 O ATOM 36497 H1 TIP3 465 53.111 3.204 -11.347 1.00 0.00 WT3 H ATOM 36498 H2 TIP3 465 51.956 4.102 -11.734 1.00 0.00 WT3 H ATOM 36499 OH2 TIP3 466 79.666 37.396 -0.410 1.00 0.00 WT3 O ATOM 36500 H1 TIP3 466 79.809 38.331 -0.560 1.00 0.00 WT3 H ATOM 36501 H2 TIP3 466 79.466 37.330 0.524 1.00 0.00 WT3 H ATOM 36502 OH2 TIP3 467 79.672 55.986 -1.808 1.00 0.00 WT3 O ATOM 36503 H1 TIP3 467 80.324 56.202 -2.474 1.00 0.00 WT3 H ATOM 36504 H2 TIP3 467 79.648 56.754 -1.237 1.00 0.00 WT3 H ATOM 36505 OH2 TIP3 469 72.913 30.946 -12.468 1.00 0.00 WT3 O ATOM 36506 H1 TIP3 469 73.692 30.863 -11.917 1.00 0.00 WT3 H ATOM 36507 H2 TIP3 469 73.215 31.427 -13.239 1.00 0.00 WT3 H ATOM 36508 OH2 TIP3 473 31.624 82.010 46.100 1.00 0.00 WT3 O ATOM 36509 H1 TIP3 473 32.343 81.783 46.690 1.00 0.00 WT3 H ATOM 36510 H2 TIP3 473 32.016 81.994 45.227 1.00 0.00 WT3 H ATOM 36511 OH2 TIP3 474 21.119 56.164 16.024 1.00 0.00 WT3 O ATOM 36512 H1 TIP3 474 21.888 55.700 16.355 1.00 0.00 WT3 H ATOM 36513 H2 TIP3 474 21.451 56.689 15.295 1.00 0.00 WT3 H ATOM 36514 OH2 TIP3 478 34.485 95.589 8.558 1.00 0.00 WT3 O ATOM 36515 H1 TIP3 478 33.784 95.306 9.145 1.00 0.00 WT3 H ATOM 36516 H2 TIP3 478 35.243 95.710 9.130 1.00 0.00 WT3 H ATOM 36517 OH2 TIP3 479 74.357 70.190 -12.187 1.00 0.00 WT3 O ATOM 36518 H1 TIP3 479 74.251 69.427 -11.618 1.00 0.00 WT3 H ATOM 36519 H2 TIP3 479 75.144 70.626 -11.860 1.00 0.00 WT3 H ATOM 36520 OH2 TIP3 484 61.534 52.543 -7.691 1.00 0.00 WT3 O ATOM 36521 H1 TIP3 484 60.743 52.938 -7.324 1.00 0.00 WT3 H ATOM 36522 H2 TIP3 484 62.237 53.144 -7.447 1.00 0.00 WT3 H ATOM 36523 OH2 TIP3 485 75.297 20.673 43.260 1.00 0.00 WT3 O ATOM 36524 H1 TIP3 485 75.973 20.762 42.588 1.00 0.00 WT3 H ATOM 36525 H2 TIP3 485 75.784 20.552 44.076 1.00 0.00 WT3 H ATOM 36526 OH2 TIP3 486 30.449 46.461 35.605 1.00 0.00 WT3 O ATOM 36527 H1 TIP3 486 30.548 45.537 35.831 1.00 0.00 WT3 H ATOM 36528 H2 TIP3 486 29.504 46.587 35.516 1.00 0.00 WT3 H ATOM 36529 OH2 TIP3 487 81.926 84.861 -10.236 1.00 0.00 WT3 O ATOM 36530 H1 TIP3 487 82.588 85.553 -10.245 1.00 0.00 WT3 H ATOM 36531 H2 TIP3 487 81.808 84.631 -11.158 1.00 0.00 WT3 H ATOM 36532 OH2 TIP3 488 43.377 44.688 11.856 1.00 0.00 WT3 O ATOM 36533 H1 TIP3 488 43.931 44.456 12.602 1.00 0.00 WT3 H ATOM 36534 H2 TIP3 488 43.939 45.228 11.299 1.00 0.00 WT3 H ATOM 36535 OH2 TIP3 489 28.866 24.853 54.931 1.00 0.00 WT3 O ATOM 36536 H1 TIP3 489 29.585 24.777 54.304 1.00 0.00 WT3 H ATOM 36537 H2 TIP3 489 28.690 23.953 55.205 1.00 0.00 WT3 H ATOM 36538 OH2 TIP3 490 74.848 76.178 58.985 1.00 0.00 WT3 O ATOM 36539 H1 TIP3 490 75.388 76.883 58.630 1.00 0.00 WT3 H ATOM 36540 H2 TIP3 490 75.465 75.617 59.456 1.00 0.00 WT3 H ATOM 36541 OH2 TIP3 491 61.577 62.235 46.699 1.00 0.00 WT3 O ATOM 36542 H1 TIP3 491 62.077 61.810 47.397 1.00 0.00 WT3 H ATOM 36543 H2 TIP3 491 60.719 61.812 46.727 1.00 0.00 WT3 H ATOM 36544 OH2 TIP3 492 65.767 5.639 52.687 1.00 0.00 WT3 O ATOM 36545 H1 TIP3 492 66.244 6.455 52.537 1.00 0.00 WT3 H ATOM 36546 H2 TIP3 492 66.165 5.269 53.475 1.00 0.00 WT3 H ATOM 36547 OH2 TIP3 493 64.544 37.669 29.313 1.00 0.00 WT3 O ATOM 36548 H1 TIP3 493 64.862 37.790 28.418 1.00 0.00 WT3 H ATOM 36549 H2 TIP3 493 64.624 38.535 29.714 1.00 0.00 WT3 H ATOM 36550 OH2 TIP3 494 77.002 92.426 -15.113 1.00 0.00 WT3 O ATOM 36551 H1 TIP3 494 76.739 93.345 -15.147 1.00 0.00 WT3 H ATOM 36552 H2 TIP3 494 77.886 92.443 -14.747 1.00 0.00 WT3 H ATOM 36553 OH2 TIP3 495 46.652 20.883 2.281 1.00 0.00 WT3 O ATOM 36554 H1 TIP3 495 47.124 21.441 1.662 1.00 0.00 WT3 H ATOM 36555 H2 TIP3 495 46.978 21.149 3.140 1.00 0.00 WT3 H ATOM 36556 OH2 TIP3 497 87.147 79.672 59.062 1.00 0.00 WT3 O ATOM 36557 H1 TIP3 497 86.729 79.680 59.923 1.00 0.00 WT3 H ATOM 36558 H2 TIP3 497 86.522 80.114 58.488 1.00 0.00 WT3 H ATOM 36559 OH2 TIP3 498 57.102 33.311 -10.180 1.00 0.00 WT3 O ATOM 36560 H1 TIP3 498 56.571 33.261 -10.975 1.00 0.00 WT3 H ATOM 36561 H2 TIP3 498 56.525 32.989 -9.486 1.00 0.00 WT3 H ATOM 36562 OH2 TIP3 499 72.532 40.726 42.645 1.00 0.00 WT3 O ATOM 36563 H1 TIP3 499 73.432 40.672 42.966 1.00 0.00 WT3 H ATOM 36564 H2 TIP3 499 72.621 40.850 41.701 1.00 0.00 WT3 H ATOM 36565 OH2 TIP3 500 67.730 40.464 41.729 1.00 0.00 WT3 O ATOM 36566 H1 TIP3 500 67.146 39.715 41.611 1.00 0.00 WT3 H ATOM 36567 H2 TIP3 500 67.510 40.806 42.596 1.00 0.00 WT3 H ATOM 36568 OH2 TIP3 501 32.544 46.856 21.097 1.00 0.00 WT3 O ATOM 36569 H1 TIP3 501 32.759 47.111 20.200 1.00 0.00 WT3 H ATOM 36570 H2 TIP3 501 33.365 46.957 21.579 1.00 0.00 WT3 H ATOM 36571 OH2 TIP3 502 84.313 67.254 50.793 1.00 0.00 WT3 O ATOM 36572 H1 TIP3 502 83.867 67.955 51.267 1.00 0.00 WT3 H ATOM 36573 H2 TIP3 502 85.243 67.398 50.971 1.00 0.00 WT3 H ATOM 36574 OH2 TIP3 503 66.811 47.276 64.013 1.00 0.00 WT3 O ATOM 36575 H1 TIP3 503 66.374 48.126 64.076 1.00 0.00 WT3 H ATOM 36576 H2 TIP3 503 66.998 47.034 64.920 1.00 0.00 WT3 H ATOM 36577 OH2 TIP3 504 50.866 76.565 33.562 1.00 0.00 WT3 O ATOM 36578 H1 TIP3 504 51.272 75.746 33.277 1.00 0.00 WT3 H ATOM 36579 H2 TIP3 504 49.950 76.336 33.718 1.00 0.00 WT3 H ATOM 36580 OH2 TIP3 505 27.073 69.814 48.928 1.00 0.00 WT3 O ATOM 36581 H1 TIP3 505 27.310 68.935 48.633 1.00 0.00 WT3 H ATOM 36582 H2 TIP3 505 27.020 70.331 48.124 1.00 0.00 WT3 H ATOM 36583 OH2 TIP3 506 26.668 95.492 31.123 1.00 0.00 WT3 O ATOM 36584 H1 TIP3 506 26.548 96.239 31.711 1.00 0.00 WT3 H ATOM 36585 H2 TIP3 506 27.431 95.032 31.472 1.00 0.00 WT3 H ATOM 36586 OH2 TIP3 507 46.017 92.052 3.441 1.00 0.00 WT3 O ATOM 36587 H1 TIP3 507 46.927 91.876 3.682 1.00 0.00 WT3 H ATOM 36588 H2 TIP3 507 46.073 92.738 2.776 1.00 0.00 WT3 H ATOM 36589 OH2 TIP3 508 48.997 24.712 59.010 1.00 0.00 WT3 O ATOM 36590 H1 TIP3 508 48.245 24.279 58.605 1.00 0.00 WT3 H ATOM 36591 H2 TIP3 508 49.254 25.385 58.380 1.00 0.00 WT3 H ATOM 36592 OH2 TIP3 509 69.924 72.075 24.678 1.00 0.00 WT3 O ATOM 36593 H1 TIP3 509 69.535 72.249 23.821 1.00 0.00 WT3 H ATOM 36594 H2 TIP3 509 69.176 71.952 25.261 1.00 0.00 WT3 H ATOM 36595 OH2 TIP3 510 35.506 40.208 -15.175 1.00 0.00 WT3 O ATOM 36596 H1 TIP3 510 35.676 40.467 -14.269 1.00 0.00 WT3 H ATOM 36597 H2 TIP3 510 35.793 40.957 -15.696 1.00 0.00 WT3 H ATOM 36598 OH2 TIP3 511 90.228 48.960 55.786 1.00 0.00 WT3 O ATOM 36599 H1 TIP3 511 91.173 49.060 55.905 1.00 0.00 WT3 H ATOM 36600 H2 TIP3 511 90.065 48.028 55.931 1.00 0.00 WT3 H ATOM 36601 OH2 TIP3 512 90.216 4.181 -15.362 1.00 0.00 WT3 O ATOM 36602 H1 TIP3 512 89.868 3.312 -15.162 1.00 0.00 WT3 H ATOM 36603 H2 TIP3 512 89.763 4.767 -14.755 1.00 0.00 WT3 H ATOM 36604 OH2 TIP3 513 73.276 95.073 -8.812 1.00 0.00 WT3 O ATOM 36605 H1 TIP3 513 72.512 95.312 -9.336 1.00 0.00 WT3 H ATOM 36606 H2 TIP3 513 72.952 94.408 -8.204 1.00 0.00 WT3 H ATOM 36607 OH2 TIP3 514 80.891 77.363 33.853 1.00 0.00 WT3 O ATOM 36608 H1 TIP3 514 80.429 78.075 34.295 1.00 0.00 WT3 H ATOM 36609 H2 TIP3 514 81.668 77.778 33.478 1.00 0.00 WT3 H ATOM 36610 OH2 TIP3 515 76.099 48.211 38.180 1.00 0.00 WT3 O ATOM 36611 H1 TIP3 515 76.101 48.991 38.735 1.00 0.00 WT3 H ATOM 36612 H2 TIP3 515 75.178 47.956 38.128 1.00 0.00 WT3 H ATOM 36613 OH2 TIP3 516 25.501 1.269 37.297 1.00 0.00 WT3 O ATOM 36614 H1 TIP3 516 25.480 0.315 37.221 1.00 0.00 WT3 H ATOM 36615 H2 TIP3 516 24.751 1.482 37.853 1.00 0.00 WT3 H ATOM 36616 OH2 TIP3 517 68.166 72.904 64.223 1.00 0.00 WT3 O ATOM 36617 H1 TIP3 517 67.608 72.293 64.703 1.00 0.00 WT3 H ATOM 36618 H2 TIP3 517 67.568 73.356 63.626 1.00 0.00 WT3 H ATOM 36619 OH2 TIP3 518 76.685 84.038 9.617 1.00 0.00 WT3 O ATOM 36620 H1 TIP3 518 77.006 83.420 10.273 1.00 0.00 WT3 H ATOM 36621 H2 TIP3 518 76.570 83.511 8.826 1.00 0.00 WT3 H ATOM 36622 OH2 TIP3 519 30.586 57.922 -17.388 1.00 0.00 WT3 O ATOM 36623 H1 TIP3 519 30.180 57.460 -16.655 1.00 0.00 WT3 H ATOM 36624 H2 TIP3 519 31.436 58.206 -17.052 1.00 0.00 WT3 H ATOM 36625 OH2 TIP3 522 35.566 0.325 22.757 1.00 0.00 WT3 O ATOM 36626 H1 TIP3 522 34.726 -0.099 22.580 1.00 0.00 WT3 H ATOM 36627 H2 TIP3 522 35.339 1.104 23.264 1.00 0.00 WT3 H ATOM 36628 OH2 TIP3 523 54.576 69.282 62.284 1.00 0.00 WT3 O ATOM 36629 H1 TIP3 523 55.143 69.569 61.568 1.00 0.00 WT3 H ATOM 36630 H2 TIP3 523 55.123 69.356 63.067 1.00 0.00 WT3 H ATOM 36631 OH2 TIP3 524 82.625 62.077 27.222 1.00 0.00 WT3 O ATOM 36632 H1 TIP3 524 83.307 61.480 26.914 1.00 0.00 WT3 H ATOM 36633 H2 TIP3 524 81.811 61.583 27.119 1.00 0.00 WT3 H ATOM 36634 OH2 TIP3 525 73.363 36.336 18.127 1.00 0.00 WT3 O ATOM 36635 H1 TIP3 525 72.490 36.113 18.451 1.00 0.00 WT3 H ATOM 36636 H2 TIP3 525 73.204 36.758 17.282 1.00 0.00 WT3 H ATOM 36637 OH2 TIP3 526 87.033 22.022 51.645 1.00 0.00 WT3 O ATOM 36638 H1 TIP3 526 86.517 21.306 51.274 1.00 0.00 WT3 H ATOM 36639 H2 TIP3 526 87.312 21.698 52.502 1.00 0.00 WT3 H ATOM 36640 OH2 TIP3 527 52.104 65.224 41.080 1.00 0.00 WT3 O ATOM 36641 H1 TIP3 527 52.569 64.434 41.354 1.00 0.00 WT3 H ATOM 36642 H2 TIP3 527 51.293 64.901 40.688 1.00 0.00 WT3 H ATOM 36643 OH2 TIP3 528 47.288 35.162 -16.890 1.00 0.00 WT3 O ATOM 36644 H1 TIP3 528 47.545 34.252 -16.746 1.00 0.00 WT3 H ATOM 36645 H2 TIP3 528 47.994 35.676 -16.498 1.00 0.00 WT3 H ATOM 36646 OH2 TIP3 529 90.064 93.479 54.430 1.00 0.00 WT3 O ATOM 36647 H1 TIP3 529 89.950 93.113 55.307 1.00 0.00 WT3 H ATOM 36648 H2 TIP3 529 89.942 94.421 54.545 1.00 0.00 WT3 H ATOM 36649 OH2 TIP3 530 33.436 37.458 22.237 1.00 0.00 WT3 O ATOM 36650 H1 TIP3 530 33.104 36.574 22.084 1.00 0.00 WT3 H ATOM 36651 H2 TIP3 530 34.368 37.336 22.419 1.00 0.00 WT3 H ATOM 36652 OH2 TIP3 532 50.243 4.140 21.788 1.00 0.00 WT3 O ATOM 36653 H1 TIP3 532 50.224 4.476 20.891 1.00 0.00 WT3 H ATOM 36654 H2 TIP3 532 49.335 3.905 21.975 1.00 0.00 WT3 H ATOM 36655 OH2 TIP3 533 78.101 53.055 -16.409 1.00 0.00 WT3 O ATOM 36656 H1 TIP3 533 77.383 53.446 -16.907 1.00 0.00 WT3 H ATOM 36657 H2 TIP3 533 78.018 53.432 -15.533 1.00 0.00 WT3 H ATOM 36658 OH2 TIP3 534 64.743 65.820 -16.798 1.00 0.00 WT3 O ATOM 36659 H1 TIP3 534 64.227 65.923 -15.998 1.00 0.00 WT3 H ATOM 36660 H2 TIP3 534 64.741 64.878 -16.965 1.00 0.00 WT3 H ATOM 36661 OH2 TIP3 535 23.032 61.812 8.743 1.00 0.00 WT3 O ATOM 36662 H1 TIP3 535 23.315 62.027 9.632 1.00 0.00 WT3 H ATOM 36663 H2 TIP3 535 22.633 60.945 8.822 1.00 0.00 WT3 H ATOM 36664 OH2 TIP3 536 50.224 1.102 18.111 1.00 0.00 WT3 O ATOM 36665 H1 TIP3 536 49.995 1.041 17.184 1.00 0.00 WT3 H ATOM 36666 H2 TIP3 536 51.172 1.234 18.116 1.00 0.00 WT3 H ATOM 36667 OH2 TIP3 538 40.424 35.469 63.279 1.00 0.00 WT3 O ATOM 36668 H1 TIP3 538 39.634 35.614 62.760 1.00 0.00 WT3 H ATOM 36669 H2 TIP3 538 41.082 36.038 62.879 1.00 0.00 WT3 H ATOM 36670 OH2 TIP3 539 27.557 72.448 27.964 1.00 0.00 WT3 O ATOM 36671 H1 TIP3 539 27.053 72.108 28.702 1.00 0.00 WT3 H ATOM 36672 H2 TIP3 539 28.393 72.714 28.347 1.00 0.00 WT3 H ATOM 36673 OH2 TIP3 540 60.021 70.348 40.530 1.00 0.00 WT3 O ATOM 36674 H1 TIP3 540 59.624 69.539 40.208 1.00 0.00 WT3 H ATOM 36675 H2 TIP3 540 59.280 70.931 40.693 1.00 0.00 WT3 H ATOM 36676 OH2 TIP3 541 21.257 68.364 3.231 1.00 0.00 WT3 O ATOM 36677 H1 TIP3 541 21.437 67.429 3.331 1.00 0.00 WT3 H ATOM 36678 H2 TIP3 541 20.947 68.642 4.093 1.00 0.00 WT3 H ATOM 36679 OH2 TIP3 542 84.874 72.339 60.449 1.00 0.00 WT3 O ATOM 36680 H1 TIP3 542 85.030 72.600 59.541 1.00 0.00 WT3 H ATOM 36681 H2 TIP3 542 85.731 72.404 60.869 1.00 0.00 WT3 H ATOM 36682 OH2 TIP3 543 66.600 20.238 -16.939 1.00 0.00 WT3 O ATOM 36683 H1 TIP3 543 66.575 20.466 -16.010 1.00 0.00 WT3 H ATOM 36684 H2 TIP3 543 66.949 19.347 -16.958 1.00 0.00 WT3 H ATOM 36685 OH2 TIP3 544 50.837 41.511 51.110 1.00 0.00 WT3 O ATOM 36686 H1 TIP3 544 50.201 41.819 51.755 1.00 0.00 WT3 H ATOM 36687 H2 TIP3 544 51.385 40.890 51.590 1.00 0.00 WT3 H ATOM 36688 OH2 TIP3 546 37.147 0.300 -12.430 1.00 0.00 WT3 O ATOM 36689 H1 TIP3 546 37.875 0.868 -12.177 1.00 0.00 WT3 H ATOM 36690 H2 TIP3 546 36.987 -0.243 -11.658 1.00 0.00 WT3 H ATOM 36691 OH2 TIP3 547 68.639 24.172 50.659 1.00 0.00 WT3 O ATOM 36692 H1 TIP3 547 68.381 25.087 50.547 1.00 0.00 WT3 H ATOM 36693 H2 TIP3 547 67.817 23.683 50.612 1.00 0.00 WT3 H ATOM 36694 OH2 TIP3 549 55.394 43.596 59.420 1.00 0.00 WT3 O ATOM 36695 H1 TIP3 549 56.056 44.278 59.529 1.00 0.00 WT3 H ATOM 36696 H2 TIP3 549 54.808 43.937 58.744 1.00 0.00 WT3 H ATOM 36697 OH2 TIP3 550 50.623 66.595 14.368 1.00 0.00 WT3 O ATOM 36698 H1 TIP3 550 50.058 65.838 14.528 1.00 0.00 WT3 H ATOM 36699 H2 TIP3 550 51.257 66.576 15.085 1.00 0.00 WT3 H ATOM 36700 OH2 TIP3 551 47.717 55.320 42.735 1.00 0.00 WT3 O ATOM 36701 H1 TIP3 551 47.669 55.022 43.643 1.00 0.00 WT3 H ATOM 36702 H2 TIP3 551 46.957 55.891 42.629 1.00 0.00 WT3 H ATOM 36703 OH2 TIP3 552 48.234 71.779 -14.173 1.00 0.00 WT3 O ATOM 36704 H1 TIP3 552 48.378 70.933 -13.748 1.00 0.00 WT3 H ATOM 36705 H2 TIP3 552 47.351 72.034 -13.907 1.00 0.00 WT3 H ATOM 36706 OH2 TIP3 553 84.422 10.442 -13.674 1.00 0.00 WT3 O ATOM 36707 H1 TIP3 553 85.377 10.481 -13.630 1.00 0.00 WT3 H ATOM 36708 H2 TIP3 553 84.227 10.371 -14.609 1.00 0.00 WT3 H ATOM 36709 OH2 TIP3 554 62.393 70.359 -3.646 1.00 0.00 WT3 O ATOM 36710 H1 TIP3 554 61.839 69.853 -4.240 1.00 0.00 WT3 H ATOM 36711 H2 TIP3 554 62.314 69.911 -2.804 1.00 0.00 WT3 H ATOM 36712 OH2 TIP3 555 34.770 47.159 27.884 1.00 0.00 WT3 O ATOM 36713 H1 TIP3 555 35.248 46.332 27.830 1.00 0.00 WT3 H ATOM 36714 H2 TIP3 555 35.437 47.832 27.746 1.00 0.00 WT3 H ATOM 36715 OH2 TIP3 556 22.955 0.033 25.758 1.00 0.00 WT3 O ATOM 36716 H1 TIP3 556 23.234 0.763 25.205 1.00 0.00 WT3 H ATOM 36717 H2 TIP3 556 22.602 0.449 26.544 1.00 0.00 WT3 H ATOM 36718 OH2 TIP3 558 80.203 47.938 33.833 1.00 0.00 WT3 O ATOM 36719 H1 TIP3 558 80.890 47.919 33.166 1.00 0.00 WT3 H ATOM 36720 H2 TIP3 558 80.667 47.796 34.659 1.00 0.00 WT3 H ATOM 36721 OH2 TIP3 559 84.076 49.354 2.121 1.00 0.00 WT3 O ATOM 36722 H1 TIP3 559 83.856 50.126 2.642 1.00 0.00 WT3 H ATOM 36723 H2 TIP3 559 84.290 48.681 2.767 1.00 0.00 WT3 H ATOM 36724 OH2 TIP3 560 34.310 85.109 42.883 1.00 0.00 WT3 O ATOM 36725 H1 TIP3 560 34.782 84.306 42.664 1.00 0.00 WT3 H ATOM 36726 H2 TIP3 560 34.731 85.787 42.355 1.00 0.00 WT3 H ATOM 36727 OH2 TIP3 561 45.563 76.730 12.297 1.00 0.00 WT3 O ATOM 36728 H1 TIP3 561 45.086 76.069 11.796 1.00 0.00 WT3 H ATOM 36729 H2 TIP3 561 45.882 76.263 13.069 1.00 0.00 WT3 H ATOM 36730 OH2 TIP3 562 22.929 29.070 -9.459 1.00 0.00 WT3 O ATOM 36731 H1 TIP3 562 23.314 29.862 -9.833 1.00 0.00 WT3 H ATOM 36732 H2 TIP3 562 23.080 29.151 -8.517 1.00 0.00 WT3 H ATOM 36733 OH2 TIP3 563 47.018 88.040 2.614 1.00 0.00 WT3 O ATOM 36734 H1 TIP3 563 47.919 87.744 2.748 1.00 0.00 WT3 H ATOM 36735 H2 TIP3 563 47.000 88.356 1.711 1.00 0.00 WT3 H ATOM 36736 OH2 TIP3 564 52.391 87.153 14.974 1.00 0.00 WT3 O ATOM 36737 H1 TIP3 564 52.068 86.953 15.853 1.00 0.00 WT3 H ATOM 36738 H2 TIP3 564 52.814 86.345 14.684 1.00 0.00 WT3 H ATOM 36739 OH2 TIP3 565 89.778 5.170 -4.375 1.00 0.00 WT3 O ATOM 36740 H1 TIP3 565 90.367 4.912 -5.084 1.00 0.00 WT3 H ATOM 36741 H2 TIP3 565 90.201 5.931 -3.977 1.00 0.00 WT3 H ATOM 36742 OH2 TIP3 568 71.926 52.444 24.246 1.00 0.00 WT3 O ATOM 36743 H1 TIP3 568 71.289 52.628 23.556 1.00 0.00 WT3 H ATOM 36744 H2 TIP3 568 71.397 52.167 24.994 1.00 0.00 WT3 H ATOM 36745 OH2 TIP3 569 73.856 30.535 28.269 1.00 0.00 WT3 O ATOM 36746 H1 TIP3 569 73.682 29.729 27.783 1.00 0.00 WT3 H ATOM 36747 H2 TIP3 569 73.150 30.583 28.915 1.00 0.00 WT3 H ATOM 36748 OH2 TIP3 571 41.972 4.470 -9.824 1.00 0.00 WT3 O ATOM 36749 H1 TIP3 571 41.611 3.587 -9.745 1.00 0.00 WT3 H ATOM 36750 H2 TIP3 571 41.486 4.987 -9.182 1.00 0.00 WT3 H ATOM 36751 OH2 TIP3 572 37.941 93.101 40.232 1.00 0.00 WT3 O ATOM 36752 H1 TIP3 572 38.613 93.716 39.937 1.00 0.00 WT3 H ATOM 36753 H2 TIP3 572 37.113 93.541 40.039 1.00 0.00 WT3 H ATOM 36754 OH2 TIP3 573 54.352 89.721 29.210 1.00 0.00 WT3 O ATOM 36755 H1 TIP3 573 53.526 89.770 29.691 1.00 0.00 WT3 H ATOM 36756 H2 TIP3 573 54.738 90.591 29.306 1.00 0.00 WT3 H ATOM 36757 OH2 TIP3 574 52.918 17.769 29.462 1.00 0.00 WT3 O ATOM 36758 H1 TIP3 574 52.311 17.052 29.645 1.00 0.00 WT3 H ATOM 36759 H2 TIP3 574 52.400 18.399 28.960 1.00 0.00 WT3 H ATOM 36760 OH2 TIP3 575 87.379 70.073 18.588 1.00 0.00 WT3 O ATOM 36761 H1 TIP3 575 88.169 69.874 19.090 1.00 0.00 WT3 H ATOM 36762 H2 TIP3 575 87.649 69.996 17.673 1.00 0.00 WT3 H ATOM 36763 OH2 TIP3 576 53.138 95.093 18.216 1.00 0.00 WT3 O ATOM 36764 H1 TIP3 576 53.212 95.912 18.705 1.00 0.00 WT3 H ATOM 36765 H2 TIP3 576 53.466 94.424 18.817 1.00 0.00 WT3 H ATOM 36766 OH2 TIP3 577 57.155 38.192 59.624 1.00 0.00 WT3 O ATOM 36767 H1 TIP3 577 56.220 38.052 59.772 1.00 0.00 WT3 H ATOM 36768 H2 TIP3 577 57.347 39.018 60.067 1.00 0.00 WT3 H ATOM 36769 OH2 TIP3 578 25.514 69.038 52.923 1.00 0.00 WT3 O ATOM 36770 H1 TIP3 578 24.954 68.968 53.696 1.00 0.00 WT3 H ATOM 36771 H2 TIP3 578 26.311 69.461 53.242 1.00 0.00 WT3 H ATOM 36772 OH2 TIP3 579 39.015 66.320 -5.210 1.00 0.00 WT3 O ATOM 36773 H1 TIP3 579 39.868 66.050 -4.869 1.00 0.00 WT3 H ATOM 36774 H2 TIP3 579 39.002 67.271 -5.098 1.00 0.00 WT3 H ATOM 36775 OH2 TIP3 580 55.361 4.140 2.941 1.00 0.00 WT3 O ATOM 36776 H1 TIP3 580 55.015 4.880 3.440 1.00 0.00 WT3 H ATOM 36777 H2 TIP3 580 55.268 4.403 2.026 1.00 0.00 WT3 H ATOM 36778 OH2 TIP3 581 45.942 27.597 66.609 1.00 0.00 WT3 O ATOM 36779 H1 TIP3 581 45.231 27.789 67.220 1.00 0.00 WT3 H ATOM 36780 H2 TIP3 581 46.370 28.441 66.466 1.00 0.00 WT3 H ATOM 36781 OH2 TIP3 582 69.561 13.167 55.089 1.00 0.00 WT3 O ATOM 36782 H1 TIP3 582 69.847 12.292 54.827 1.00 0.00 WT3 H ATOM 36783 H2 TIP3 582 68.689 13.033 55.459 1.00 0.00 WT3 H ATOM 36784 OH2 TIP3 583 87.244 3.540 -3.479 1.00 0.00 WT3 O ATOM 36785 H1 TIP3 583 86.574 4.206 -3.635 1.00 0.00 WT3 H ATOM 36786 H2 TIP3 583 86.761 2.790 -3.132 1.00 0.00 WT3 H ATOM 36787 OH2 TIP3 584 40.554 89.565 66.306 1.00 0.00 WT3 O ATOM 36788 H1 TIP3 584 40.980 89.606 67.162 1.00 0.00 WT3 H ATOM 36789 H2 TIP3 584 41.260 89.350 65.697 1.00 0.00 WT3 H ATOM 36790 OH2 TIP3 585 34.978 76.769 25.184 1.00 0.00 WT3 O ATOM 36791 H1 TIP3 585 35.544 77.257 24.587 1.00 0.00 WT3 H ATOM 36792 H2 TIP3 585 35.218 77.085 26.055 1.00 0.00 WT3 H ATOM 36793 OH2 TIP3 586 46.144 50.292 -18.605 1.00 0.00 WT3 O ATOM 36794 H1 TIP3 586 46.361 51.213 -18.464 1.00 0.00 WT3 H ATOM 36795 H2 TIP3 586 46.464 49.847 -17.820 1.00 0.00 WT3 H ATOM 36796 OH2 TIP3 587 41.815 70.893 17.500 1.00 0.00 WT3 O ATOM 36797 H1 TIP3 587 42.511 70.541 18.055 1.00 0.00 WT3 H ATOM 36798 H2 TIP3 587 41.461 70.128 17.046 1.00 0.00 WT3 H ATOM 36799 OH2 TIP3 590 32.094 70.264 50.199 1.00 0.00 WT3 O ATOM 36800 H1 TIP3 590 31.956 69.859 49.343 1.00 0.00 WT3 H ATOM 36801 H2 TIP3 590 31.504 71.018 50.205 1.00 0.00 WT3 H ATOM 36802 OH2 TIP3 591 35.079 19.401 -9.832 1.00 0.00 WT3 O ATOM 36803 H1 TIP3 591 34.547 19.161 -10.591 1.00 0.00 WT3 H ATOM 36804 H2 TIP3 591 35.168 20.352 -9.893 1.00 0.00 WT3 H ATOM 36805 OH2 TIP3 592 55.373 50.673 62.472 1.00 0.00 WT3 O ATOM 36806 H1 TIP3 592 54.501 50.327 62.661 1.00 0.00 WT3 H ATOM 36807 H2 TIP3 592 55.226 51.336 61.797 1.00 0.00 WT3 H ATOM 36808 OH2 TIP3 593 22.655 43.700 54.649 1.00 0.00 WT3 O ATOM 36809 H1 TIP3 593 22.233 44.211 53.959 1.00 0.00 WT3 H ATOM 36810 H2 TIP3 593 23.553 44.031 54.678 1.00 0.00 WT3 H ATOM 36811 OH2 TIP3 594 83.664 48.846 27.540 1.00 0.00 WT3 O ATOM 36812 H1 TIP3 594 83.524 49.161 26.647 1.00 0.00 WT3 H ATOM 36813 H2 TIP3 594 83.572 49.626 28.086 1.00 0.00 WT3 H ATOM 36814 OH2 TIP3 595 46.494 86.499 50.486 1.00 0.00 WT3 O ATOM 36815 H1 TIP3 595 46.025 86.392 49.659 1.00 0.00 WT3 H ATOM 36816 H2 TIP3 595 47.110 85.767 50.509 1.00 0.00 WT3 H ATOM 36817 OH2 TIP3 597 42.499 77.849 25.662 1.00 0.00 WT3 O ATOM 36818 H1 TIP3 597 41.846 77.155 25.570 1.00 0.00 WT3 H ATOM 36819 H2 TIP3 597 43.004 77.602 26.437 1.00 0.00 WT3 H ATOM 36820 OH2 TIP3 598 38.355 8.026 21.277 1.00 0.00 WT3 O ATOM 36821 H1 TIP3 598 38.874 8.715 20.862 1.00 0.00 WT3 H ATOM 36822 H2 TIP3 598 37.624 8.488 21.686 1.00 0.00 WT3 H ATOM 36823 OH2 TIP3 599 39.301 71.850 16.067 1.00 0.00 WT3 O ATOM 36824 H1 TIP3 599 39.017 72.556 16.648 1.00 0.00 WT3 H ATOM 36825 H2 TIP3 599 40.195 71.654 16.347 1.00 0.00 WT3 H ATOM 36826 OH2 TIP3 601 24.686 1.582 60.312 1.00 0.00 WT3 O ATOM 36827 H1 TIP3 601 24.880 2.049 59.499 1.00 0.00 WT3 H ATOM 36828 H2 TIP3 601 25.480 1.677 60.838 1.00 0.00 WT3 H ATOM 36829 OH2 TIP3 602 47.543 2.771 -3.025 1.00 0.00 WT3 O ATOM 36830 H1 TIP3 602 47.414 1.834 -2.880 1.00 0.00 WT3 H ATOM 36831 H2 TIP3 602 46.766 3.047 -3.512 1.00 0.00 WT3 H ATOM 36832 OH2 TIP3 603 37.400 16.767 57.197 1.00 0.00 WT3 O ATOM 36833 H1 TIP3 603 36.852 17.075 57.918 1.00 0.00 WT3 H ATOM 36834 H2 TIP3 603 37.247 17.397 56.493 1.00 0.00 WT3 H ATOM 36835 OH2 TIP3 604 81.257 20.672 59.218 1.00 0.00 WT3 O ATOM 36836 H1 TIP3 604 81.558 20.298 60.046 1.00 0.00 WT3 H ATOM 36837 H2 TIP3 604 81.311 21.619 59.349 1.00 0.00 WT3 H ATOM 36838 OH2 TIP3 605 85.272 48.404 56.967 1.00 0.00 WT3 O ATOM 36839 H1 TIP3 605 85.344 48.344 56.014 1.00 0.00 WT3 H ATOM 36840 H2 TIP3 605 85.477 49.318 57.165 1.00 0.00 WT3 H ATOM 36841 OH2 TIP3 606 23.557 54.891 55.189 1.00 0.00 WT3 O ATOM 36842 H1 TIP3 606 22.917 55.297 54.604 1.00 0.00 WT3 H ATOM 36843 H2 TIP3 606 23.043 54.600 55.942 1.00 0.00 WT3 H ATOM 36844 OH2 TIP3 607 76.400 65.658 44.377 1.00 0.00 WT3 O ATOM 36845 H1 TIP3 607 76.730 64.976 43.793 1.00 0.00 WT3 H ATOM 36846 H2 TIP3 607 76.532 66.473 43.892 1.00 0.00 WT3 H ATOM 36847 OH2 TIP3 609 23.718 75.937 55.553 1.00 0.00 WT3 O ATOM 36848 H1 TIP3 609 24.615 75.666 55.360 1.00 0.00 WT3 H ATOM 36849 H2 TIP3 609 23.180 75.191 55.289 1.00 0.00 WT3 H ATOM 36850 OH2 TIP3 612 78.537 11.339 55.683 1.00 0.00 WT3 O ATOM 36851 H1 TIP3 612 79.493 11.374 55.683 1.00 0.00 WT3 H ATOM 36852 H2 TIP3 612 78.312 10.914 54.855 1.00 0.00 WT3 H ATOM 36853 OH2 TIP3 613 22.634 4.531 -18.204 1.00 0.00 WT3 O ATOM 36854 H1 TIP3 613 22.074 3.755 -18.230 1.00 0.00 WT3 H ATOM 36855 H2 TIP3 613 22.344 5.061 -18.947 1.00 0.00 WT3 H ATOM 36856 OH2 TIP3 615 46.319 69.838 53.671 1.00 0.00 WT3 O ATOM 36857 H1 TIP3 615 45.638 69.231 53.379 1.00 0.00 WT3 H ATOM 36858 H2 TIP3 615 46.001 70.701 53.406 1.00 0.00 WT3 H ATOM 36859 OH2 TIP3 617 34.530 1.380 65.482 1.00 0.00 WT3 O ATOM 36860 H1 TIP3 617 35.152 0.782 65.067 1.00 0.00 WT3 H ATOM 36861 H2 TIP3 617 34.692 1.280 66.420 1.00 0.00 WT3 H ATOM 36862 OH2 TIP3 618 47.911 14.877 25.591 1.00 0.00 WT3 O ATOM 36863 H1 TIP3 618 47.323 15.609 25.775 1.00 0.00 WT3 H ATOM 36864 H2 TIP3 618 47.607 14.531 24.751 1.00 0.00 WT3 H ATOM 36865 OH2 TIP3 620 65.250 50.567 14.235 1.00 0.00 WT3 O ATOM 36866 H1 TIP3 620 64.937 50.088 15.003 1.00 0.00 WT3 H ATOM 36867 H2 TIP3 620 64.521 51.138 13.994 1.00 0.00 WT3 H ATOM 36868 OH2 TIP3 621 71.422 45.524 61.929 1.00 0.00 WT3 O ATOM 36869 H1 TIP3 621 72.110 45.220 62.521 1.00 0.00 WT3 H ATOM 36870 H2 TIP3 621 70.906 46.135 62.455 1.00 0.00 WT3 H ATOM 36871 OH2 TIP3 623 24.763 17.052 39.877 1.00 0.00 WT3 O ATOM 36872 H1 TIP3 623 23.849 16.771 39.848 1.00 0.00 WT3 H ATOM 36873 H2 TIP3 623 25.196 16.533 39.200 1.00 0.00 WT3 H ATOM 36874 OH2 TIP3 624 78.217 79.075 63.424 1.00 0.00 WT3 O ATOM 36875 H1 TIP3 624 79.154 79.174 63.259 1.00 0.00 WT3 H ATOM 36876 H2 TIP3 624 77.923 78.445 62.766 1.00 0.00 WT3 H ATOM 36877 OH2 TIP3 625 80.837 81.268 50.389 1.00 0.00 WT3 O ATOM 36878 H1 TIP3 625 79.978 80.890 50.204 1.00 0.00 WT3 H ATOM 36879 H2 TIP3 625 81.461 80.621 50.058 1.00 0.00 WT3 H ATOM 36880 OH2 TIP3 626 77.690 55.942 16.228 1.00 0.00 WT3 O ATOM 36881 H1 TIP3 626 77.714 56.464 17.030 1.00 0.00 WT3 H ATOM 36882 H2 TIP3 626 77.261 55.126 16.485 1.00 0.00 WT3 H ATOM 36883 OH2 TIP3 627 31.051 87.063 21.874 1.00 0.00 WT3 O ATOM 36884 H1 TIP3 627 31.307 86.147 21.763 1.00 0.00 WT3 H ATOM 36885 H2 TIP3 627 31.813 87.563 21.580 1.00 0.00 WT3 H ATOM 36886 OH2 TIP3 628 61.948 88.908 24.626 1.00 0.00 WT3 O ATOM 36887 H1 TIP3 628 62.756 88.589 25.029 1.00 0.00 WT3 H ATOM 36888 H2 TIP3 628 61.318 88.200 24.760 1.00 0.00 WT3 H ATOM 36889 OH2 TIP3 630 50.516 89.371 65.272 1.00 0.00 WT3 O ATOM 36890 H1 TIP3 630 51.358 88.927 65.167 1.00 0.00 WT3 H ATOM 36891 H2 TIP3 630 50.320 89.297 66.206 1.00 0.00 WT3 H ATOM 36892 OH2 TIP3 632 62.951 78.496 -15.619 1.00 0.00 WT3 O ATOM 36893 H1 TIP3 632 62.071 78.150 -15.765 1.00 0.00 WT3 H ATOM 36894 H2 TIP3 632 63.362 78.481 -16.483 1.00 0.00 WT3 H ATOM 36895 OH2 TIP3 634 34.081 53.816 11.360 1.00 0.00 WT3 O ATOM 36896 H1 TIP3 634 34.812 53.724 10.750 1.00 0.00 WT3 H ATOM 36897 H2 TIP3 634 34.495 53.976 12.208 1.00 0.00 WT3 H ATOM 36898 OH2 TIP3 635 30.897 51.602 5.747 1.00 0.00 WT3 O ATOM 36899 H1 TIP3 635 30.393 51.197 6.452 1.00 0.00 WT3 H ATOM 36900 H2 TIP3 635 31.752 51.786 6.137 1.00 0.00 WT3 H ATOM 36901 OH2 TIP3 638 57.363 15.075 18.143 1.00 0.00 WT3 O ATOM 36902 H1 TIP3 638 57.219 15.994 17.916 1.00 0.00 WT3 H ATOM 36903 H2 TIP3 638 58.180 15.076 18.641 1.00 0.00 WT3 H ATOM 36904 OH2 TIP3 639 85.410 34.182 -3.478 1.00 0.00 WT3 O ATOM 36905 H1 TIP3 639 86.191 34.705 -3.303 1.00 0.00 WT3 H ATOM 36906 H2 TIP3 639 84.828 34.364 -2.741 1.00 0.00 WT3 H ATOM 36907 OH2 TIP3 640 87.393 17.141 -18.507 1.00 0.00 WT3 O ATOM 36908 H1 TIP3 640 88.248 16.834 -18.807 1.00 0.00 WT3 H ATOM 36909 H2 TIP3 640 87.548 17.452 -17.615 1.00 0.00 WT3 H ATOM 36910 OH2 TIP3 643 21.826 58.250 24.216 1.00 0.00 WT3 O ATOM 36911 H1 TIP3 643 22.544 58.841 23.988 1.00 0.00 WT3 H ATOM 36912 H2 TIP3 643 21.584 57.836 23.388 1.00 0.00 WT3 H ATOM 36913 OH2 TIP3 644 32.633 73.340 7.431 1.00 0.00 WT3 O ATOM 36914 H1 TIP3 644 32.137 73.258 8.245 1.00 0.00 WT3 H ATOM 36915 H2 TIP3 644 32.385 74.198 7.085 1.00 0.00 WT3 H ATOM 36916 OH2 TIP3 647 76.189 58.055 32.065 1.00 0.00 WT3 O ATOM 36917 H1 TIP3 647 75.602 57.616 31.450 1.00 0.00 WT3 H ATOM 36918 H2 TIP3 647 76.973 58.252 31.552 1.00 0.00 WT3 H ATOM 36919 OH2 TIP3 648 76.675 94.535 14.930 1.00 0.00 WT3 O ATOM 36920 H1 TIP3 648 76.992 93.956 14.237 1.00 0.00 WT3 H ATOM 36921 H2 TIP3 648 76.876 94.070 15.742 1.00 0.00 WT3 H ATOM 36922 OH2 TIP3 649 38.205 89.412 0.482 1.00 0.00 WT3 O ATOM 36923 H1 TIP3 649 37.291 89.227 0.697 1.00 0.00 WT3 H ATOM 36924 H2 TIP3 649 38.185 90.275 0.070 1.00 0.00 WT3 H ATOM 36925 OH2 TIP3 650 74.339 75.077 31.781 1.00 0.00 WT3 O ATOM 36926 H1 TIP3 650 74.703 74.782 30.946 1.00 0.00 WT3 H ATOM 36927 H2 TIP3 650 74.854 75.851 32.007 1.00 0.00 WT3 H ATOM 36928 OH2 TIP3 651 60.487 77.698 -16.645 1.00 0.00 WT3 O ATOM 36929 H1 TIP3 651 60.052 78.016 -17.436 1.00 0.00 WT3 H ATOM 36930 H2 TIP3 651 59.975 76.934 -16.381 1.00 0.00 WT3 H ATOM 36931 OH2 TIP3 655 52.820 53.724 53.592 1.00 0.00 WT3 O ATOM 36932 H1 TIP3 655 52.351 53.547 52.777 1.00 0.00 WT3 H ATOM 36933 H2 TIP3 655 53.094 54.638 53.518 1.00 0.00 WT3 H ATOM 36934 OH2 TIP3 656 38.974 21.557 -8.000 1.00 0.00 WT3 O ATOM 36935 H1 TIP3 656 38.760 21.674 -8.926 1.00 0.00 WT3 H ATOM 36936 H2 TIP3 656 39.891 21.823 -7.931 1.00 0.00 WT3 H ATOM 36937 OH2 TIP3 659 25.178 68.984 -7.456 1.00 0.00 WT3 O ATOM 36938 H1 TIP3 659 25.182 68.193 -6.917 1.00 0.00 WT3 H ATOM 36939 H2 TIP3 659 25.840 69.549 -7.058 1.00 0.00 WT3 H ATOM 36940 OH2 TIP3 660 20.444 74.188 6.213 1.00 0.00 WT3 O ATOM 36941 H1 TIP3 660 20.857 73.487 5.708 1.00 0.00 WT3 H ATOM 36942 H2 TIP3 660 20.604 74.980 5.699 1.00 0.00 WT3 H ATOM 36943 OH2 TIP3 662 57.677 15.435 -8.656 1.00 0.00 WT3 O ATOM 36944 H1 TIP3 662 57.567 14.487 -8.730 1.00 0.00 WT3 H ATOM 36945 H2 TIP3 662 58.471 15.624 -9.155 1.00 0.00 WT3 H ATOM 36946 OH2 TIP3 664 24.933 43.242 22.306 1.00 0.00 WT3 O ATOM 36947 H1 TIP3 664 24.922 43.841 21.559 1.00 0.00 WT3 H ATOM 36948 H2 TIP3 664 25.599 42.591 22.081 1.00 0.00 WT3 H ATOM 36949 OH2 TIP3 666 85.670 50.951 53.054 1.00 0.00 WT3 O ATOM 36950 H1 TIP3 666 86.352 51.138 53.700 1.00 0.00 WT3 H ATOM 36951 H2 TIP3 666 84.863 50.898 53.565 1.00 0.00 WT3 H ATOM 36952 OH2 TIP3 668 82.518 87.670 15.910 1.00 0.00 WT3 O ATOM 36953 H1 TIP3 668 82.565 86.964 16.555 1.00 0.00 WT3 H ATOM 36954 H2 TIP3 668 82.208 88.428 16.405 1.00 0.00 WT3 H ATOM 36955 OH2 TIP3 669 22.529 89.036 5.799 1.00 0.00 WT3 O ATOM 36956 H1 TIP3 669 22.235 89.005 6.710 1.00 0.00 WT3 H ATOM 36957 H2 TIP3 669 23.156 89.758 5.774 1.00 0.00 WT3 H ATOM 36958 OH2 TIP3 670 52.184 19.640 -8.874 1.00 0.00 WT3 O ATOM 36959 H1 TIP3 670 51.634 18.897 -8.627 1.00 0.00 WT3 H ATOM 36960 H2 TIP3 670 53.078 19.346 -8.696 1.00 0.00 WT3 H ATOM 36961 OH2 TIP3 679 23.476 13.509 -9.051 1.00 0.00 WT3 O ATOM 36962 H1 TIP3 679 22.965 14.255 -8.737 1.00 0.00 WT3 H ATOM 36963 H2 TIP3 679 24.342 13.629 -8.660 1.00 0.00 WT3 H ATOM 36964 OH2 TIP3 682 75.027 94.451 31.239 1.00 0.00 WT3 O ATOM 36965 H1 TIP3 682 74.526 95.183 30.880 1.00 0.00 WT3 H ATOM 36966 H2 TIP3 682 75.842 94.847 31.550 1.00 0.00 WT3 H ATOM 36967 OH2 TIP3 695 68.137 82.618 16.676 1.00 0.00 WT3 O ATOM 36968 H1 TIP3 695 68.158 83.240 17.403 1.00 0.00 WT3 H ATOM 36969 H2 TIP3 695 68.123 83.166 15.891 1.00 0.00 WT3 H ATOM 36970 OH2 TIP3 697 36.210 32.066 -3.899 1.00 0.00 WT3 O ATOM 36971 H1 TIP3 697 36.378 31.737 -4.782 1.00 0.00 WT3 H ATOM 36972 H2 TIP3 697 36.163 31.280 -3.355 1.00 0.00 WT3 H ATOM 36973 OH2 TIP3 711 44.514 76.179 51.950 1.00 0.00 WT3 O ATOM 36974 H1 TIP3 711 45.199 76.833 51.810 1.00 0.00 WT3 H ATOM 36975 H2 TIP3 711 44.309 75.854 51.074 1.00 0.00 WT3 H ATOM 36976 OH2 TIP3 713 34.426 60.371 34.236 1.00 0.00 WT3 O ATOM 36977 H1 TIP3 713 34.661 59.814 33.494 1.00 0.00 WT3 H ATOM 36978 H2 TIP3 713 34.894 61.191 34.078 1.00 0.00 WT3 H ATOM 36979 OH2 TIP3 758 54.605 20.907 -13.049 1.00 0.00 WT3 O ATOM 36980 H1 TIP3 758 55.174 20.980 -12.283 1.00 0.00 WT3 H ATOM 36981 H2 TIP3 758 54.690 21.751 -13.493 1.00 0.00 WT3 H ATOM 36982 OH2 TIP3 805 31.014 65.835 55.685 1.00 0.00 WT3 O ATOM 36983 H1 TIP3 805 31.047 66.671 56.148 1.00 0.00 WT3 H ATOM 36984 H2 TIP3 805 30.113 65.771 55.368 1.00 0.00 WT3 H ATOM 36985 OH2 TIP3 821 44.040 65.070 47.780 1.00 0.00 WT3 O ATOM 36986 H1 TIP3 821 43.791 65.819 48.322 1.00 0.00 WT3 H ATOM 36987 H2 TIP3 821 44.996 65.046 47.829 1.00 0.00 WT3 H ATOM 36988 OH2 TIP3 822 63.910 89.655 9.375 1.00 0.00 WT3 O ATOM 36989 H1 TIP3 822 63.649 89.215 8.566 1.00 0.00 WT3 H ATOM 36990 H2 TIP3 822 63.085 89.850 9.819 1.00 0.00 WT3 H ATOM 36991 OH2 TIP3 825 88.104 59.190 15.389 1.00 0.00 WT3 O ATOM 36992 H1 TIP3 825 88.745 59.187 16.100 1.00 0.00 WT3 H ATOM 36993 H2 TIP3 825 87.631 60.015 15.496 1.00 0.00 WT3 H ATOM 36994 OH2 TIP3 835 39.667 5.561 22.328 1.00 0.00 WT3 O ATOM 36995 H1 TIP3 835 39.350 6.447 22.151 1.00 0.00 WT3 H ATOM 36996 H2 TIP3 835 40.276 5.377 21.613 1.00 0.00 WT3 H ATOM 36997 OH2 TIP3 836 38.898 22.503 -10.628 1.00 0.00 WT3 O ATOM 36998 H1 TIP3 836 38.838 21.831 -11.308 1.00 0.00 WT3 H ATOM 36999 H2 TIP3 836 39.573 23.103 -10.943 1.00 0.00 WT3 H ATOM 37000 OH2 TIP3 848 80.465 26.802 27.049 1.00 0.00 WT3 O ATOM 37001 H1 TIP3 848 81.052 26.084 26.814 1.00 0.00 WT3 H ATOM 37002 H2 TIP3 848 80.314 26.692 27.988 1.00 0.00 WT3 H ATOM 37003 OH2 TIP3 849 28.057 79.799 13.847 1.00 0.00 WT3 O ATOM 37004 H1 TIP3 849 28.978 79.876 14.096 1.00 0.00 WT3 H ATOM 37005 H2 TIP3 849 27.792 80.694 13.634 1.00 0.00 WT3 H ATOM 37006 OH2 TIP3 852 68.136 12.235 58.645 1.00 0.00 WT3 O ATOM 37007 H1 TIP3 852 68.458 11.615 57.990 1.00 0.00 WT3 H ATOM 37008 H2 TIP3 852 67.689 11.689 59.292 1.00 0.00 WT3 H ATOM 37009 OH2 TIP3 854 23.398 69.663 1.909 1.00 0.00 WT3 O ATOM 37010 H1 TIP3 854 22.546 69.316 2.174 1.00 0.00 WT3 H ATOM 37011 H2 TIP3 854 23.641 70.264 2.613 1.00 0.00 WT3 H ATOM 37012 OH2 TIP3 855 37.620 89.015 41.375 1.00 0.00 WT3 O ATOM 37013 H1 TIP3 855 37.016 88.955 42.115 1.00 0.00 WT3 H ATOM 37014 H2 TIP3 855 38.485 89.092 41.778 1.00 0.00 WT3 H ATOM 37015 OH2 TIP3 858 87.128 41.809 3.493 1.00 0.00 WT3 O ATOM 37016 H1 TIP3 858 87.634 41.951 2.693 1.00 0.00 WT3 H ATOM 37017 H2 TIP3 858 86.446 41.188 3.237 1.00 0.00 WT3 H ATOM 37018 OH2 TIP3 860 24.148 87.389 54.938 1.00 0.00 WT3 O ATOM 37019 H1 TIP3 860 24.307 86.565 55.399 1.00 0.00 WT3 H ATOM 37020 H2 TIP3 860 24.993 87.612 54.547 1.00 0.00 WT3 H ATOM 37021 OH2 TIP3 866 69.969 10.252 -8.280 1.00 0.00 WT3 O ATOM 37022 H1 TIP3 866 69.474 11.018 -8.572 1.00 0.00 WT3 H ATOM 37023 H2 TIP3 866 70.279 10.486 -7.405 1.00 0.00 WT3 H ATOM 37024 OH2 TIP3 867 21.370 58.698 55.542 1.00 0.00 WT3 O ATOM 37025 H1 TIP3 867 20.437 58.909 55.570 1.00 0.00 WT3 H ATOM 37026 H2 TIP3 867 21.789 59.504 55.239 1.00 0.00 WT3 H ATOM 37027 OH2 TIP3 879 56.124 25.990 43.119 1.00 0.00 WT3 O ATOM 37028 H1 TIP3 879 55.684 25.198 42.809 1.00 0.00 WT3 H ATOM 37029 H2 TIP3 879 56.891 26.075 42.553 1.00 0.00 WT3 H ATOM 37030 OH2 TIP3 881 61.789 73.053 25.641 1.00 0.00 WT3 O ATOM 37031 H1 TIP3 881 61.949 72.603 26.471 1.00 0.00 WT3 H ATOM 37032 H2 TIP3 881 60.896 72.805 25.402 1.00 0.00 WT3 H ATOM 37033 OH2 TIP3 882 89.332 67.520 48.989 1.00 0.00 WT3 O ATOM 37034 H1 TIP3 882 89.249 68.473 49.040 1.00 0.00 WT3 H ATOM 37035 H2 TIP3 882 90.113 67.376 48.455 1.00 0.00 WT3 H ATOM 37036 OH2 TIP3 886 83.678 58.942 53.274 1.00 0.00 WT3 O ATOM 37037 H1 TIP3 886 82.892 59.015 53.815 1.00 0.00 WT3 H ATOM 37038 H2 TIP3 886 83.352 58.694 52.409 1.00 0.00 WT3 H ATOM 37039 OH2 TIP3 887 45.854 91.825 -1.998 1.00 0.00 WT3 O ATOM 37040 H1 TIP3 887 46.765 91.663 -1.754 1.00 0.00 WT3 H ATOM 37041 H2 TIP3 887 45.366 91.110 -1.590 1.00 0.00 WT3 H ATOM 37042 OH2 TIP3 889 48.134 35.773 9.835 1.00 0.00 WT3 O ATOM 37043 H1 TIP3 889 48.292 35.366 10.687 1.00 0.00 WT3 H ATOM 37044 H2 TIP3 889 49.003 35.854 9.443 1.00 0.00 WT3 H ATOM 37045 OH2 TIP3 890 58.600 66.620 30.412 1.00 0.00 WT3 O ATOM 37046 H1 TIP3 890 58.357 67.419 29.945 1.00 0.00 WT3 H ATOM 37047 H2 TIP3 890 58.070 65.934 30.006 1.00 0.00 WT3 H ATOM 37048 OH2 TIP3 891 36.290 87.826 22.317 1.00 0.00 WT3 O ATOM 37049 H1 TIP3 891 36.024 88.600 22.813 1.00 0.00 WT3 H ATOM 37050 H2 TIP3 891 37.178 88.024 22.020 1.00 0.00 WT3 H ATOM 37051 OH2 TIP3 894 86.851 80.135 51.595 1.00 0.00 WT3 O ATOM 37052 H1 TIP3 894 86.751 81.087 51.614 1.00 0.00 WT3 H ATOM 37053 H2 TIP3 894 87.243 79.952 50.741 1.00 0.00 WT3 H ATOM 37054 OH2 TIP3 895 82.932 38.505 26.064 1.00 0.00 WT3 O ATOM 37055 H1 TIP3 895 82.514 37.790 25.585 1.00 0.00 WT3 H ATOM 37056 H2 TIP3 895 82.216 39.108 26.268 1.00 0.00 WT3 H ATOM 37057 OH2 TIP3 896 36.606 83.076 30.327 1.00 0.00 WT3 O ATOM 37058 H1 TIP3 896 36.972 82.914 31.196 1.00 0.00 WT3 H ATOM 37059 H2 TIP3 896 35.716 83.386 30.495 1.00 0.00 WT3 H ATOM 37060 OH2 TIP3 897 40.933 34.771 44.751 1.00 0.00 WT3 O ATOM 37061 H1 TIP3 897 40.818 35.270 43.942 1.00 0.00 WT3 H ATOM 37062 H2 TIP3 897 41.769 34.318 44.637 1.00 0.00 WT3 H ATOM 37063 OH2 TIP3 899 48.512 83.914 55.065 1.00 0.00 WT3 O ATOM 37064 H1 TIP3 899 47.587 83.869 54.820 1.00 0.00 WT3 H ATOM 37065 H2 TIP3 899 48.549 83.518 55.936 1.00 0.00 WT3 H ATOM 37066 OH2 TIP3 903 38.594 70.212 -1.778 1.00 0.00 WT3 O ATOM 37067 H1 TIP3 903 39.298 70.195 -1.130 1.00 0.00 WT3 H ATOM 37068 H2 TIP3 903 37.834 70.540 -1.298 1.00 0.00 WT3 H ATOM 37069 OH2 TIP3 906 70.851 81.822 17.917 1.00 0.00 WT3 O ATOM 37070 H1 TIP3 906 69.973 82.158 18.093 1.00 0.00 WT3 H ATOM 37071 H2 TIP3 906 71.123 81.418 18.741 1.00 0.00 WT3 H ATOM 37072 OH2 TIP3 907 71.575 9.123 50.282 1.00 0.00 WT3 O ATOM 37073 H1 TIP3 907 71.651 10.075 50.212 1.00 0.00 WT3 H ATOM 37074 H2 TIP3 907 72.449 8.796 50.072 1.00 0.00 WT3 H ATOM 37075 OH2 TIP3 908 22.442 79.050 61.256 1.00 0.00 WT3 O ATOM 37076 H1 TIP3 908 23.332 79.090 60.907 1.00 0.00 WT3 H ATOM 37077 H2 TIP3 908 22.559 78.909 62.196 1.00 0.00 WT3 H ATOM 37078 OH2 TIP3 911 40.597 72.222 6.632 1.00 0.00 WT3 O ATOM 37079 H1 TIP3 911 40.977 71.698 7.338 1.00 0.00 WT3 H ATOM 37080 H2 TIP3 911 39.683 71.940 6.590 1.00 0.00 WT3 H ATOM 37081 OH2 TIP3 912 25.631 35.576 0.519 1.00 0.00 WT3 O ATOM 37082 H1 TIP3 912 26.195 36.135 1.053 1.00 0.00 WT3 H ATOM 37083 H2 TIP3 912 26.166 35.353 -0.243 1.00 0.00 WT3 H ATOM 37084 OH2 TIP3 916 64.056 8.136 8.355 1.00 0.00 WT3 O ATOM 37085 H1 TIP3 916 64.695 7.681 7.807 1.00 0.00 WT3 H ATOM 37086 H2 TIP3 916 64.197 9.064 8.169 1.00 0.00 WT3 H ATOM 37087 OH2 TIP3 917 42.826 48.459 63.280 1.00 0.00 WT3 O ATOM 37088 H1 TIP3 917 43.199 49.338 63.223 1.00 0.00 WT3 H ATOM 37089 H2 TIP3 917 43.427 47.910 62.776 1.00 0.00 WT3 H ATOM 37090 OH2 TIP3 918 82.781 35.052 42.500 1.00 0.00 WT3 O ATOM 37091 H1 TIP3 918 83.061 35.516 41.712 1.00 0.00 WT3 H ATOM 37092 H2 TIP3 918 83.316 34.258 42.514 1.00 0.00 WT3 H ATOM 37093 OH2 TIP3 919 53.402 63.187 9.079 1.00 0.00 WT3 O ATOM 37094 H1 TIP3 919 54.024 63.898 8.924 1.00 0.00 WT3 H ATOM 37095 H2 TIP3 919 53.539 62.944 9.995 1.00 0.00 WT3 H ATOM 37096 OH2 TIP3 921 35.543 66.908 44.849 1.00 0.00 WT3 O ATOM 37097 H1 TIP3 921 36.400 66.559 44.604 1.00 0.00 WT3 H ATOM 37098 H2 TIP3 921 35.058 66.955 44.025 1.00 0.00 WT3 H ATOM 37099 OH2 TIP3 924 53.209 92.926 9.881 1.00 0.00 WT3 O ATOM 37100 H1 TIP3 924 52.353 92.622 9.580 1.00 0.00 WT3 H ATOM 37101 H2 TIP3 924 53.354 92.459 10.704 1.00 0.00 WT3 H ATOM 37102 OH2 TIP3 927 61.529 86.222 29.811 1.00 0.00 WT3 O ATOM 37103 H1 TIP3 927 60.742 86.764 29.757 1.00 0.00 WT3 H ATOM 37104 H2 TIP3 927 61.201 85.324 29.831 1.00 0.00 WT3 H ATOM 37105 OH2 TIP3 928 40.078 53.537 66.789 1.00 0.00 WT3 O ATOM 37106 H1 TIP3 928 40.855 54.097 66.780 1.00 0.00 WT3 H ATOM 37107 H2 TIP3 928 40.256 52.870 66.126 1.00 0.00 WT3 H ATOM 37108 OH2 TIP3 929 57.743 80.976 37.475 1.00 0.00 WT3 O ATOM 37109 H1 TIP3 929 57.040 80.374 37.230 1.00 0.00 WT3 H ATOM 37110 H2 TIP3 929 58.548 80.482 37.321 1.00 0.00 WT3 H ATOM 37111 OH2 TIP3 930 84.160 15.578 60.195 1.00 0.00 WT3 O ATOM 37112 H1 TIP3 930 84.189 16.515 60.000 1.00 0.00 WT3 H ATOM 37113 H2 TIP3 930 84.260 15.527 61.145 1.00 0.00 WT3 H ATOM 37114 OH2 TIP3 932 66.761 62.137 36.442 1.00 0.00 WT3 O ATOM 37115 H1 TIP3 932 66.831 62.490 35.555 1.00 0.00 WT3 H ATOM 37116 H2 TIP3 932 65.884 62.389 36.732 1.00 0.00 WT3 H ATOM 37117 OH2 TIP3 933 52.422 90.578 -19.304 1.00 0.00 WT3 O ATOM 37118 H1 TIP3 933 52.783 90.003 -18.630 1.00 0.00 WT3 H ATOM 37119 H2 TIP3 933 53.189 90.917 -19.767 1.00 0.00 WT3 H ATOM 37120 OH2 TIP3 936 90.121 48.283 59.522 1.00 0.00 WT3 O ATOM 37121 H1 TIP3 936 89.905 47.641 60.199 1.00 0.00 WT3 H ATOM 37122 H2 TIP3 936 89.420 48.196 58.876 1.00 0.00 WT3 H ATOM 37123 OH2 TIP3 937 84.876 6.854 7.761 1.00 0.00 WT3 O ATOM 37124 H1 TIP3 937 85.677 6.746 8.274 1.00 0.00 WT3 H ATOM 37125 H2 TIP3 937 84.677 5.974 7.440 1.00 0.00 WT3 H ATOM 37126 OH2 TIP3 938 35.092 75.312 48.986 1.00 0.00 WT3 O ATOM 37127 H1 TIP3 938 35.563 74.760 49.610 1.00 0.00 WT3 H ATOM 37128 H2 TIP3 938 34.698 74.696 48.369 1.00 0.00 WT3 H ATOM 37129 OH2 TIP3 939 50.808 53.126 -5.242 1.00 0.00 WT3 O ATOM 37130 H1 TIP3 939 51.656 52.697 -5.123 1.00 0.00 WT3 H ATOM 37131 H2 TIP3 939 50.214 52.648 -4.664 1.00 0.00 WT3 H ATOM 37132 OH2 TIP3 940 66.176 47.055 42.226 1.00 0.00 WT3 O ATOM 37133 H1 TIP3 940 65.659 46.783 41.468 1.00 0.00 WT3 H ATOM 37134 H2 TIP3 940 65.936 47.971 42.364 1.00 0.00 WT3 H ATOM 37135 OH2 TIP3 941 26.199 23.733 63.767 1.00 0.00 WT3 O ATOM 37136 H1 TIP3 941 26.278 23.223 62.960 1.00 0.00 WT3 H ATOM 37137 H2 TIP3 941 27.102 23.933 64.013 1.00 0.00 WT3 H ATOM 37138 OH2 TIP3 942 35.846 60.155 11.928 1.00 0.00 WT3 O ATOM 37139 H1 TIP3 942 36.293 60.633 11.229 1.00 0.00 WT3 H ATOM 37140 H2 TIP3 942 36.136 60.583 12.734 1.00 0.00 WT3 H ATOM 37141 OH2 TIP3 944 72.454 74.311 -14.642 1.00 0.00 WT3 O ATOM 37142 H1 TIP3 944 71.896 73.836 -15.258 1.00 0.00 WT3 H ATOM 37143 H2 TIP3 944 72.356 73.838 -13.816 1.00 0.00 WT3 H ATOM 37144 OH2 TIP3 946 24.483 25.726 21.704 1.00 0.00 WT3 O ATOM 37145 H1 TIP3 946 23.621 26.071 21.938 1.00 0.00 WT3 H ATOM 37146 H2 TIP3 946 24.707 25.133 22.421 1.00 0.00 WT3 H ATOM 37147 OH2 TIP3 947 41.207 94.064 6.033 1.00 0.00 WT3 O ATOM 37148 H1 TIP3 947 41.745 93.338 6.348 1.00 0.00 WT3 H ATOM 37149 H2 TIP3 947 41.818 94.797 5.949 1.00 0.00 WT3 H ATOM 37150 OH2 TIP3 948 55.974 68.347 64.560 1.00 0.00 WT3 O ATOM 37151 H1 TIP3 948 56.224 68.295 65.483 1.00 0.00 WT3 H ATOM 37152 H2 TIP3 948 56.576 67.752 64.114 1.00 0.00 WT3 H ATOM 37153 OH2 TIP3 949 34.356 60.857 46.556 1.00 0.00 WT3 O ATOM 37154 H1 TIP3 949 34.135 60.735 45.633 1.00 0.00 WT3 H ATOM 37155 H2 TIP3 949 35.297 61.034 46.556 1.00 0.00 WT3 H ATOM 37156 OH2 TIP3 950 34.278 28.967 2.645 1.00 0.00 WT3 O ATOM 37157 H1 TIP3 950 34.010 28.072 2.438 1.00 0.00 WT3 H ATOM 37158 H2 TIP3 950 33.481 29.487 2.537 1.00 0.00 WT3 H ATOM 37159 OH2 TIP3 951 36.264 35.941 -10.090 1.00 0.00 WT3 O ATOM 37160 H1 TIP3 951 36.123 35.098 -9.658 1.00 0.00 WT3 H ATOM 37161 H2 TIP3 951 36.806 35.734 -10.851 1.00 0.00 WT3 H ATOM 37162 OH2 TIP3 952 20.912 83.546 -16.216 1.00 0.00 WT3 O ATOM 37163 H1 TIP3 952 21.601 84.209 -16.266 1.00 0.00 WT3 H ATOM 37164 H2 TIP3 952 21.165 82.888 -16.864 1.00 0.00 WT3 H ATOM 37165 OH2 TIP3 953 76.212 22.443 -4.767 1.00 0.00 WT3 O ATOM 37166 H1 TIP3 953 75.736 22.172 -3.982 1.00 0.00 WT3 H ATOM 37167 H2 TIP3 953 75.637 23.082 -5.188 1.00 0.00 WT3 H ATOM 37168 OH2 TIP3 954 70.148 91.572 51.483 1.00 0.00 WT3 O ATOM 37169 H1 TIP3 954 69.809 90.884 52.055 1.00 0.00 WT3 H ATOM 37170 H2 TIP3 954 71.047 91.711 51.780 1.00 0.00 WT3 H ATOM 37171 OH2 TIP3 956 30.492 7.754 -16.175 1.00 0.00 WT3 O ATOM 37172 H1 TIP3 956 29.866 7.264 -15.641 1.00 0.00 WT3 H ATOM 37173 H2 TIP3 956 30.199 8.664 -16.113 1.00 0.00 WT3 H ATOM 37174 OH2 TIP3 957 45.894 61.946 -16.298 1.00 0.00 WT3 O ATOM 37175 H1 TIP3 957 45.805 62.767 -16.781 1.00 0.00 WT3 H ATOM 37176 H2 TIP3 957 45.964 62.212 -15.381 1.00 0.00 WT3 H ATOM 37177 OH2 TIP3 958 77.478 78.975 46.827 1.00 0.00 WT3 O ATOM 37178 H1 TIP3 958 76.900 79.036 46.067 1.00 0.00 WT3 H ATOM 37179 H2 TIP3 958 78.282 78.582 46.487 1.00 0.00 WT3 H ATOM 37180 OH2 TIP3 959 50.090 75.861 43.344 1.00 0.00 WT3 O ATOM 37181 H1 TIP3 959 49.415 76.486 43.082 1.00 0.00 WT3 H ATOM 37182 H2 TIP3 959 50.265 75.351 42.552 1.00 0.00 WT3 H ATOM 37183 OH2 TIP3 960 60.151 27.503 65.350 1.00 0.00 WT3 O ATOM 37184 H1 TIP3 960 60.245 28.454 65.297 1.00 0.00 WT3 H ATOM 37185 H2 TIP3 960 60.944 27.160 64.937 1.00 0.00 WT3 H ATOM 37186 OH2 TIP3 961 68.650 10.025 56.620 1.00 0.00 WT3 O ATOM 37187 H1 TIP3 961 68.531 9.511 57.419 1.00 0.00 WT3 H ATOM 37188 H2 TIP3 961 67.811 9.956 56.164 1.00 0.00 WT3 H ATOM 37189 OH2 TIP3 962 73.646 33.617 0.751 1.00 0.00 WT3 O ATOM 37190 H1 TIP3 962 72.817 34.051 0.955 1.00 0.00 WT3 H ATOM 37191 H2 TIP3 962 73.942 33.259 1.588 1.00 0.00 WT3 H ATOM 37192 OH2 TIP3 963 60.984 37.606 -5.914 1.00 0.00 WT3 O ATOM 37193 H1 TIP3 963 61.188 36.704 -5.666 1.00 0.00 WT3 H ATOM 37194 H2 TIP3 963 60.744 38.033 -5.091 1.00 0.00 WT3 H ATOM 37195 OH2 TIP3 964 86.597 44.125 -10.673 1.00 0.00 WT3 O ATOM 37196 H1 TIP3 964 85.748 44.514 -10.881 1.00 0.00 WT3 H ATOM 37197 H2 TIP3 964 87.045 44.060 -11.516 1.00 0.00 WT3 H ATOM 37198 OH2 TIP3 965 53.411 13.047 38.078 1.00 0.00 WT3 O ATOM 37199 H1 TIP3 965 53.139 13.842 38.537 1.00 0.00 WT3 H ATOM 37200 H2 TIP3 965 52.653 12.805 37.546 1.00 0.00 WT3 H ATOM 37201 OH2 TIP3 966 63.842 25.136 -12.931 1.00 0.00 WT3 O ATOM 37202 H1 TIP3 966 63.012 25.391 -12.530 1.00 0.00 WT3 H ATOM 37203 H2 TIP3 966 64.501 25.657 -12.471 1.00 0.00 WT3 H ATOM 37204 OH2 TIP3 967 36.387 40.994 61.159 1.00 0.00 WT3 O ATOM 37205 H1 TIP3 967 35.723 41.397 60.601 1.00 0.00 WT3 H ATOM 37206 H2 TIP3 967 37.186 41.490 60.978 1.00 0.00 WT3 H ATOM 37207 OH2 TIP3 970 83.682 72.973 41.028 1.00 0.00 WT3 O ATOM 37208 H1 TIP3 970 84.157 72.236 41.413 1.00 0.00 WT3 H ATOM 37209 H2 TIP3 970 84.296 73.352 40.399 1.00 0.00 WT3 H ATOM 37210 OH2 TIP3 971 69.080 53.632 23.649 1.00 0.00 WT3 O ATOM 37211 H1 TIP3 971 68.578 53.946 24.401 1.00 0.00 WT3 H ATOM 37212 H2 TIP3 971 68.547 53.867 22.890 1.00 0.00 WT3 H ATOM 37213 OH2 TIP3 972 57.178 94.115 15.895 1.00 0.00 WT3 O ATOM 37214 H1 TIP3 972 56.279 94.358 15.674 1.00 0.00 WT3 H ATOM 37215 H2 TIP3 972 57.663 94.940 15.868 1.00 0.00 WT3 H ATOM 37216 OH2 TIP3 973 78.451 80.690 -1.134 1.00 0.00 WT3 O ATOM 37217 H1 TIP3 973 79.352 80.916 -1.363 1.00 0.00 WT3 H ATOM 37218 H2 TIP3 973 77.943 81.469 -1.361 1.00 0.00 WT3 H ATOM 37219 OH2 TIP3 974 88.177 41.385 -6.389 1.00 0.00 WT3 O ATOM 37220 H1 TIP3 974 87.656 42.017 -6.885 1.00 0.00 WT3 H ATOM 37221 H2 TIP3 974 88.970 41.264 -6.912 1.00 0.00 WT3 H ATOM 37222 OH2 TIP3 975 73.197 89.987 31.204 1.00 0.00 WT3 O ATOM 37223 H1 TIP3 975 73.220 89.150 31.669 1.00 0.00 WT3 H ATOM 37224 H2 TIP3 975 73.145 90.645 31.898 1.00 0.00 WT3 H ATOM 37225 OH2 TIP3 976 29.838 85.160 19.633 1.00 0.00 WT3 O ATOM 37226 H1 TIP3 976 29.227 84.439 19.787 1.00 0.00 WT3 H ATOM 37227 H2 TIP3 976 30.605 84.942 20.163 1.00 0.00 WT3 H ATOM 37228 OH2 TIP3 977 51.714 59.695 45.352 1.00 0.00 WT3 O ATOM 37229 H1 TIP3 977 51.360 60.464 44.906 1.00 0.00 WT3 H ATOM 37230 H2 TIP3 977 52.584 59.577 44.973 1.00 0.00 WT3 H ATOM 37231 OH2 TIP3 978 27.719 65.603 -4.756 1.00 0.00 WT3 O ATOM 37232 H1 TIP3 978 28.406 66.267 -4.797 1.00 0.00 WT3 H ATOM 37233 H2 TIP3 978 27.546 65.493 -3.821 1.00 0.00 WT3 H ATOM 37234 OH2 TIP3 979 48.878 46.239 38.455 1.00 0.00 WT3 O ATOM 37235 H1 TIP3 979 48.934 45.991 37.532 1.00 0.00 WT3 H ATOM 37236 H2 TIP3 979 48.701 45.417 38.913 1.00 0.00 WT3 H ATOM 37237 OH2 TIP3 980 25.589 47.779 40.285 1.00 0.00 WT3 O ATOM 37238 H1 TIP3 980 25.588 46.940 40.746 1.00 0.00 WT3 H ATOM 37239 H2 TIP3 980 25.909 48.408 40.931 1.00 0.00 WT3 H ATOM 37240 OH2 TIP3 982 53.777 86.284 21.161 1.00 0.00 WT3 O ATOM 37241 H1 TIP3 982 53.136 86.761 20.633 1.00 0.00 WT3 H ATOM 37242 H2 TIP3 982 53.311 85.500 21.453 1.00 0.00 WT3 H ATOM 37243 OH2 TIP3 983 48.114 84.569 -19.172 1.00 0.00 WT3 O ATOM 37244 H1 TIP3 983 47.318 84.731 -18.666 1.00 0.00 WT3 H ATOM 37245 H2 TIP3 983 48.408 85.439 -19.442 1.00 0.00 WT3 H ATOM 37246 OH2 TIP3 984 45.994 67.833 50.410 1.00 0.00 WT3 O ATOM 37247 H1 TIP3 984 46.689 67.394 49.919 1.00 0.00 WT3 H ATOM 37248 H2 TIP3 984 45.281 67.931 49.779 1.00 0.00 WT3 H ATOM 37249 OH2 TIP3 985 44.241 58.040 8.386 1.00 0.00 WT3 O ATOM 37250 H1 TIP3 985 43.856 58.336 9.210 1.00 0.00 WT3 H ATOM 37251 H2 TIP3 985 44.900 58.702 8.177 1.00 0.00 WT3 H ATOM 37252 OH2 TIP3 986 41.459 26.788 32.777 1.00 0.00 WT3 O ATOM 37253 H1 TIP3 986 41.957 26.707 31.964 1.00 0.00 WT3 H ATOM 37254 H2 TIP3 986 41.953 27.419 33.299 1.00 0.00 WT3 H ATOM 37255 OH2 TIP3 988 79.846 92.779 -14.870 1.00 0.00 WT3 O ATOM 37256 H1 TIP3 988 80.098 93.549 -15.380 1.00 0.00 WT3 H ATOM 37257 H2 TIP3 988 80.565 92.161 -14.998 1.00 0.00 WT3 H ATOM 37258 OH2 TIP3 992 87.765 13.670 2.838 1.00 0.00 WT3 O ATOM 37259 H1 TIP3 992 87.601 14.228 3.598 1.00 0.00 WT3 H ATOM 37260 H2 TIP3 992 87.232 12.890 2.992 1.00 0.00 WT3 H ATOM 37261 OH2 TIP3 993 71.498 40.080 4.812 1.00 0.00 WT3 O ATOM 37262 H1 TIP3 993 72.440 39.921 4.756 1.00 0.00 WT3 H ATOM 37263 H2 TIP3 993 71.260 39.803 5.697 1.00 0.00 WT3 H ATOM 37264 OH2 TIP3 994 41.494 77.062 7.707 1.00 0.00 WT3 O ATOM 37265 H1 TIP3 994 41.087 76.204 7.829 1.00 0.00 WT3 H ATOM 37266 H2 TIP3 994 42.355 76.979 8.117 1.00 0.00 WT3 H ATOM 37267 OH2 TIP3 995 78.245 32.022 -15.180 1.00 0.00 WT3 O ATOM 37268 H1 TIP3 995 77.600 31.344 -15.382 1.00 0.00 WT3 H ATOM 37269 H2 TIP3 995 77.733 32.732 -14.791 1.00 0.00 WT3 H ATOM 37270 OH2 TIP3 996 33.692 69.620 -9.800 1.00 0.00 WT3 O ATOM 37271 H1 TIP3 996 33.323 69.748 -10.673 1.00 0.00 WT3 H ATOM 37272 H2 TIP3 996 34.360 68.945 -9.918 1.00 0.00 WT3 H ATOM 37273 OH2 TIP3 997 39.611 47.882 60.709 1.00 0.00 WT3 O ATOM 37274 H1 TIP3 997 40.176 47.498 60.040 1.00 0.00 WT3 H ATOM 37275 H2 TIP3 997 38.757 47.472 60.567 1.00 0.00 WT3 H ATOM 37276 OH2 TIP3 998 44.397 87.380 24.731 1.00 0.00 WT3 O ATOM 37277 H1 TIP3 998 45.027 87.318 24.012 1.00 0.00 WT3 H ATOM 37278 H2 TIP3 998 43.926 88.198 24.567 1.00 0.00 WT3 H ATOM 37279 OH2 TIP3 999 25.941 20.555 62.414 1.00 0.00 WT3 O ATOM 37280 H1 TIP3 999 25.704 21.174 61.723 1.00 0.00 WT3 H ATOM 37281 H2 TIP3 999 25.173 19.990 62.503 1.00 0.00 WT3 H ATOM 37282 OH2 TIP3 1000 27.197 70.789 13.332 1.00 0.00 WT3 O ATOM 37283 H1 TIP3 1000 27.079 69.851 13.488 1.00 0.00 WT3 H ATOM 37284 H2 TIP3 1000 26.346 71.175 13.538 1.00 0.00 WT3 H ATOM 37285 OH2 TIP3 1001 66.921 26.779 37.006 1.00 0.00 WT3 O ATOM 37286 H1 TIP3 1001 67.039 26.094 37.664 1.00 0.00 WT3 H ATOM 37287 H2 TIP3 1001 66.652 27.549 37.508 1.00 0.00 WT3 H ATOM 37288 OH2 TIP3 1002 21.406 46.848 50.211 1.00 0.00 WT3 O ATOM 37289 H1 TIP3 1002 20.782 47.301 50.778 1.00 0.00 WT3 H ATOM 37290 H2 TIP3 1002 21.232 45.918 50.357 1.00 0.00 WT3 H ATOM 37291 OH2 TIP3 1003 67.909 44.210 30.506 1.00 0.00 WT3 O ATOM 37292 H1 TIP3 1003 67.878 44.191 29.550 1.00 0.00 WT3 H ATOM 37293 H2 TIP3 1003 67.019 44.442 30.771 1.00 0.00 WT3 H ATOM 37294 OH2 TIP3 1004 49.839 91.091 22.761 1.00 0.00 WT3 O ATOM 37295 H1 TIP3 1004 49.253 90.460 22.342 1.00 0.00 WT3 H ATOM 37296 H2 TIP3 1004 49.892 90.802 23.671 1.00 0.00 WT3 H ATOM 37297 OH2 TIP3 1005 62.661 70.206 63.244 1.00 0.00 WT3 O ATOM 37298 H1 TIP3 1005 61.777 70.101 63.596 1.00 0.00 WT3 H ATOM 37299 H2 TIP3 1005 62.663 69.684 62.442 1.00 0.00 WT3 H ATOM 37300 OH2 TIP3 1006 62.178 1.128 -3.557 1.00 0.00 WT3 O ATOM 37301 H1 TIP3 1006 63.077 1.155 -3.887 1.00 0.00 WT3 H ATOM 37302 H2 TIP3 1006 62.066 1.960 -3.098 1.00 0.00 WT3 H ATOM 37303 OH2 TIP3 1007 27.682 32.253 41.212 1.00 0.00 WT3 O ATOM 37304 H1 TIP3 1007 27.020 31.829 40.665 1.00 0.00 WT3 H ATOM 37305 H2 TIP3 1007 28.204 31.530 41.560 1.00 0.00 WT3 H ATOM 37306 OH2 TIP3 1009 79.104 27.647 15.751 1.00 0.00 WT3 O ATOM 37307 H1 TIP3 1009 79.793 28.160 16.172 1.00 0.00 WT3 H ATOM 37308 H2 TIP3 1009 78.362 28.250 15.686 1.00 0.00 WT3 H ATOM 37309 OH2 TIP3 1010 79.526 84.472 49.748 1.00 0.00 WT3 O ATOM 37310 H1 TIP3 1010 78.585 84.538 49.909 1.00 0.00 WT3 H ATOM 37311 H2 TIP3 1010 79.661 83.561 49.485 1.00 0.00 WT3 H ATOM 37312 OH2 TIP3 1011 80.459 82.061 4.801 1.00 0.00 WT3 O ATOM 37313 H1 TIP3 1011 81.407 81.952 4.723 1.00 0.00 WT3 H ATOM 37314 H2 TIP3 1011 80.187 81.369 5.404 1.00 0.00 WT3 H ATOM 37315 OH2 TIP3 1012 77.295 69.594 46.689 1.00 0.00 WT3 O ATOM 37316 H1 TIP3 1012 77.444 70.531 46.812 1.00 0.00 WT3 H ATOM 37317 H2 TIP3 1012 77.639 69.408 45.816 1.00 0.00 WT3 H ATOM 37318 OH2 TIP3 1013 71.466 67.034 39.730 1.00 0.00 WT3 O ATOM 37319 H1 TIP3 1013 70.544 67.280 39.651 1.00 0.00 WT3 H ATOM 37320 H2 TIP3 1013 71.906 67.525 39.036 1.00 0.00 WT3 H ATOM 37321 OH2 TIP3 1014 64.593 52.322 30.947 1.00 0.00 WT3 O ATOM 37322 H1 TIP3 1014 63.862 51.782 30.648 1.00 0.00 WT3 H ATOM 37323 H2 TIP3 1014 64.388 53.201 30.631 1.00 0.00 WT3 H ATOM 37324 OH2 TIP3 1015 56.454 47.985 47.143 1.00 0.00 WT3 O ATOM 37325 H1 TIP3 1015 56.447 47.056 47.373 1.00 0.00 WT3 H ATOM 37326 H2 TIP3 1015 56.561 48.438 47.980 1.00 0.00 WT3 H ATOM 37327 OH2 TIP3 1017 54.452 22.804 -18.118 1.00 0.00 WT3 O ATOM 37328 H1 TIP3 1017 53.891 22.297 -18.704 1.00 0.00 WT3 H ATOM 37329 H2 TIP3 1017 53.946 23.593 -17.923 1.00 0.00 WT3 H ATOM 37330 OH2 TIP3 1018 58.938 11.569 2.004 1.00 0.00 WT3 O ATOM 37331 H1 TIP3 1018 59.664 11.238 1.474 1.00 0.00 WT3 H ATOM 37332 H2 TIP3 1018 59.183 12.471 2.210 1.00 0.00 WT3 H ATOM 37333 OH2 TIP3 1020 51.872 29.160 5.517 1.00 0.00 WT3 O ATOM 37334 H1 TIP3 1020 52.531 29.843 5.637 1.00 0.00 WT3 H ATOM 37335 H2 TIP3 1020 52.275 28.372 5.881 1.00 0.00 WT3 H ATOM 37336 OH2 TIP3 1022 43.938 15.603 -19.500 1.00 0.00 WT3 O ATOM 37337 H1 TIP3 1022 44.875 15.797 -19.477 1.00 0.00 WT3 H ATOM 37338 H2 TIP3 1022 43.889 14.692 -19.792 1.00 0.00 WT3 H ATOM 37339 OH2 TIP3 1023 40.325 36.713 -16.083 1.00 0.00 WT3 O ATOM 37340 H1 TIP3 1023 41.137 37.034 -15.688 1.00 0.00 WT3 H ATOM 37341 H2 TIP3 1023 40.600 35.978 -16.631 1.00 0.00 WT3 H ATOM 37342 OH2 TIP3 1025 30.260 73.715 -19.595 1.00 0.00 WT3 O ATOM 37343 H1 TIP3 1025 31.007 74.195 -19.237 1.00 0.00 WT3 H ATOM 37344 H2 TIP3 1025 29.578 73.801 -18.930 1.00 0.00 WT3 H ATOM 37345 OH2 TIP3 1026 42.093 86.668 16.087 1.00 0.00 WT3 O ATOM 37346 H1 TIP3 1026 41.693 86.068 15.458 1.00 0.00 WT3 H ATOM 37347 H2 TIP3 1026 42.394 87.406 15.556 1.00 0.00 WT3 H ATOM 37348 OH2 TIP3 1027 35.142 57.876 -18.510 1.00 0.00 WT3 O ATOM 37349 H1 TIP3 1027 35.996 57.917 -18.942 1.00 0.00 WT3 H ATOM 37350 H2 TIP3 1027 35.335 58.010 -17.583 1.00 0.00 WT3 H ATOM 37351 OH2 TIP3 1028 37.844 57.876 -19.285 1.00 0.00 WT3 O ATOM 37352 H1 TIP3 1028 37.944 58.613 -18.683 1.00 0.00 WT3 H ATOM 37353 H2 TIP3 1028 38.208 57.128 -18.811 1.00 0.00 WT3 H ATOM 37354 OH2 TIP3 1029 45.945 12.013 53.726 1.00 0.00 WT3 O ATOM 37355 H1 TIP3 1029 45.746 12.208 52.810 1.00 0.00 WT3 H ATOM 37356 H2 TIP3 1029 45.115 11.710 54.093 1.00 0.00 WT3 H ATOM 37357 OH2 TIP3 1030 29.270 72.008 55.176 1.00 0.00 WT3 O ATOM 37358 H1 TIP3 1030 29.201 72.956 55.061 1.00 0.00 WT3 H ATOM 37359 H2 TIP3 1030 30.090 71.773 54.742 1.00 0.00 WT3 H ATOM 37360 OH2 TIP3 1031 37.886 81.534 18.302 1.00 0.00 WT3 O ATOM 37361 H1 TIP3 1031 38.166 80.780 18.821 1.00 0.00 WT3 H ATOM 37362 H2 TIP3 1031 37.072 81.821 18.715 1.00 0.00 WT3 H ATOM 37363 OH2 TIP3 1032 26.203 38.234 35.285 1.00 0.00 WT3 O ATOM 37364 H1 TIP3 1032 26.227 38.114 34.336 1.00 0.00 WT3 H ATOM 37365 H2 TIP3 1032 25.850 39.116 35.406 1.00 0.00 WT3 H ATOM 37366 OH2 TIP3 1033 86.453 74.078 36.372 1.00 0.00 WT3 O ATOM 37367 H1 TIP3 1033 86.383 73.195 36.011 1.00 0.00 WT3 H ATOM 37368 H2 TIP3 1033 85.903 74.615 35.802 1.00 0.00 WT3 H ATOM 37369 OH2 TIP3 1035 64.163 66.868 -10.610 1.00 0.00 WT3 O ATOM 37370 H1 TIP3 1035 63.289 66.550 -10.835 1.00 0.00 WT3 H ATOM 37371 H2 TIP3 1035 64.759 66.290 -11.086 1.00 0.00 WT3 H ATOM 37372 OH2 TIP3 1036 88.587 61.325 34.958 1.00 0.00 WT3 O ATOM 37373 H1 TIP3 1036 88.353 60.820 35.736 1.00 0.00 WT3 H ATOM 37374 H2 TIP3 1036 88.463 60.716 34.230 1.00 0.00 WT3 H ATOM 37375 OH2 TIP3 1040 57.487 36.714 2.552 1.00 0.00 WT3 O ATOM 37376 H1 TIP3 1040 57.409 37.465 3.141 1.00 0.00 WT3 H ATOM 37377 H2 TIP3 1040 57.736 35.987 3.122 1.00 0.00 WT3 H ATOM 37378 OH2 TIP3 1041 30.160 11.204 26.580 1.00 0.00 WT3 O ATOM 37379 H1 TIP3 1041 30.263 10.654 25.803 1.00 0.00 WT3 H ATOM 37380 H2 TIP3 1041 30.632 12.010 26.369 1.00 0.00 WT3 H ATOM 37381 OH2 TIP3 1042 79.663 59.805 15.862 1.00 0.00 WT3 O ATOM 37382 H1 TIP3 1042 78.837 59.389 15.618 1.00 0.00 WT3 H ATOM 37383 H2 TIP3 1042 80.319 59.115 15.758 1.00 0.00 WT3 H ATOM 37384 OH2 TIP3 1043 43.464 81.182 15.845 1.00 0.00 WT3 O ATOM 37385 H1 TIP3 1043 42.997 81.911 15.438 1.00 0.00 WT3 H ATOM 37386 H2 TIP3 1043 43.067 80.399 15.463 1.00 0.00 WT3 H ATOM 37387 OH2 TIP3 1044 85.212 69.853 34.800 1.00 0.00 WT3 O ATOM 37388 H1 TIP3 1044 84.484 70.433 34.578 1.00 0.00 WT3 H ATOM 37389 H2 TIP3 1044 85.941 70.444 34.992 1.00 0.00 WT3 H ATOM 37390 OH2 TIP3 1045 61.137 80.585 47.620 1.00 0.00 WT3 O ATOM 37391 H1 TIP3 1045 62.034 80.918 47.596 1.00 0.00 WT3 H ATOM 37392 H2 TIP3 1045 60.929 80.389 46.706 1.00 0.00 WT3 H ATOM 37393 OH2 TIP3 1046 43.912 48.026 -3.334 1.00 0.00 WT3 O ATOM 37394 H1 TIP3 1046 44.086 48.619 -4.065 1.00 0.00 WT3 H ATOM 37395 H2 TIP3 1046 43.576 48.594 -2.640 1.00 0.00 WT3 H ATOM 37396 OH2 TIP3 1047 73.454 68.966 56.228 1.00 0.00 WT3 O ATOM 37397 H1 TIP3 1047 73.582 69.859 55.909 1.00 0.00 WT3 H ATOM 37398 H2 TIP3 1047 72.519 68.800 56.107 1.00 0.00 WT3 H ATOM 37399 OH2 TIP3 1048 20.925 57.639 -12.789 1.00 0.00 WT3 O ATOM 37400 H1 TIP3 1048 20.731 58.498 -13.165 1.00 0.00 WT3 H ATOM 37401 H2 TIP3 1048 20.387 57.029 -13.294 1.00 0.00 WT3 H ATOM 37402 OH2 TIP3 1050 56.858 15.864 24.535 1.00 0.00 WT3 O ATOM 37403 H1 TIP3 1050 57.789 15.988 24.719 1.00 0.00 WT3 H ATOM 37404 H2 TIP3 1050 56.495 16.749 24.529 1.00 0.00 WT3 H ATOM 37405 OH2 TIP3 1051 80.003 61.071 38.895 1.00 0.00 WT3 O ATOM 37406 H1 TIP3 1051 79.667 61.832 39.369 1.00 0.00 WT3 H ATOM 37407 H2 TIP3 1051 79.417 60.978 38.144 1.00 0.00 WT3 H ATOM 37408 OH2 TIP3 1052 85.106 81.288 23.947 1.00 0.00 WT3 O ATOM 37409 H1 TIP3 1052 84.442 81.416 24.624 1.00 0.00 WT3 H ATOM 37410 H2 TIP3 1052 85.439 80.404 24.102 1.00 0.00 WT3 H ATOM 37411 OH2 TIP3 1053 80.778 34.596 15.184 1.00 0.00 WT3 O ATOM 37412 H1 TIP3 1053 80.119 34.893 15.810 1.00 0.00 WT3 H ATOM 37413 H2 TIP3 1053 80.438 34.865 14.331 1.00 0.00 WT3 H ATOM 37414 OH2 TIP3 1054 51.183 94.558 57.358 1.00 0.00 WT3 O ATOM 37415 H1 TIP3 1054 50.284 94.277 57.190 1.00 0.00 WT3 H ATOM 37416 H2 TIP3 1054 51.110 95.492 57.555 1.00 0.00 WT3 H ATOM 37417 OH2 TIP3 1055 31.581 16.489 15.847 1.00 0.00 WT3 O ATOM 37418 H1 TIP3 1055 31.008 17.256 15.824 1.00 0.00 WT3 H ATOM 37419 H2 TIP3 1055 32.047 16.563 16.680 1.00 0.00 WT3 H ATOM 37420 OH2 TIP3 1058 24.910 72.623 24.783 1.00 0.00 WT3 O ATOM 37421 H1 TIP3 1058 25.287 72.458 23.919 1.00 0.00 WT3 H ATOM 37422 H2 TIP3 1058 25.519 73.233 25.198 1.00 0.00 WT3 H ATOM 37423 OH2 TIP3 1059 66.508 36.150 -3.350 1.00 0.00 WT3 O ATOM 37424 H1 TIP3 1059 66.611 37.060 -3.627 1.00 0.00 WT3 H ATOM 37425 H2 TIP3 1059 65.883 36.190 -2.625 1.00 0.00 WT3 H ATOM 37426 OH2 TIP3 1060 62.882 38.310 -7.620 1.00 0.00 WT3 O ATOM 37427 H1 TIP3 1060 62.113 38.003 -7.140 1.00 0.00 WT3 H ATOM 37428 H2 TIP3 1060 63.625 37.923 -7.156 1.00 0.00 WT3 H ATOM 37429 OH2 TIP3 1061 64.786 13.464 14.943 1.00 0.00 WT3 O ATOM 37430 H1 TIP3 1061 65.231 13.271 15.768 1.00 0.00 WT3 H ATOM 37431 H2 TIP3 1061 63.856 13.365 15.143 1.00 0.00 WT3 H ATOM 37432 OH2 TIP3 1062 79.685 92.046 62.398 1.00 0.00 WT3 O ATOM 37433 H1 TIP3 1062 79.746 91.706 61.505 1.00 0.00 WT3 H ATOM 37434 H2 TIP3 1062 78.985 91.534 62.802 1.00 0.00 WT3 H ATOM 37435 OH2 TIP3 1063 65.605 49.322 -5.950 1.00 0.00 WT3 O ATOM 37436 H1 TIP3 1063 65.311 50.229 -5.873 1.00 0.00 WT3 H ATOM 37437 H2 TIP3 1063 64.871 48.803 -5.621 1.00 0.00 WT3 H ATOM 37438 OH2 TIP3 1067 77.008 90.299 50.174 1.00 0.00 WT3 O ATOM 37439 H1 TIP3 1067 77.665 90.140 49.496 1.00 0.00 WT3 H ATOM 37440 H2 TIP3 1067 77.515 90.563 50.942 1.00 0.00 WT3 H ATOM 37441 OH2 TIP3 1068 88.603 39.985 -15.338 1.00 0.00 WT3 O ATOM 37442 H1 TIP3 1068 89.010 40.223 -14.505 1.00 0.00 WT3 H ATOM 37443 H2 TIP3 1068 88.435 39.045 -15.262 1.00 0.00 WT3 H ATOM 37444 OH2 TIP3 1069 44.520 8.127 51.578 1.00 0.00 WT3 O ATOM 37445 H1 TIP3 1069 45.390 7.732 51.641 1.00 0.00 WT3 H ATOM 37446 H2 TIP3 1069 43.942 7.399 51.349 1.00 0.00 WT3 H ATOM 37447 OH2 TIP3 1070 71.594 71.180 4.274 1.00 0.00 WT3 O ATOM 37448 H1 TIP3 1070 71.154 70.348 4.449 1.00 0.00 WT3 H ATOM 37449 H2 TIP3 1070 70.925 71.722 3.857 1.00 0.00 WT3 H ATOM 37450 OH2 TIP3 1071 46.522 76.937 44.834 1.00 0.00 WT3 O ATOM 37451 H1 TIP3 1071 45.838 77.347 45.363 1.00 0.00 WT3 H ATOM 37452 H2 TIP3 1071 46.047 76.460 44.154 1.00 0.00 WT3 H ATOM 37453 OH2 TIP3 1074 23.735 80.042 -15.975 1.00 0.00 WT3 O ATOM 37454 H1 TIP3 1074 23.486 80.681 -15.307 1.00 0.00 WT3 H ATOM 37455 H2 TIP3 1074 24.686 79.970 -15.896 1.00 0.00 WT3 H ATOM 37456 OH2 TIP3 1076 50.081 38.602 60.396 1.00 0.00 WT3 O ATOM 37457 H1 TIP3 1076 49.261 38.818 59.953 1.00 0.00 WT3 H ATOM 37458 H2 TIP3 1076 50.483 39.450 60.584 1.00 0.00 WT3 H ATOM 37459 OH2 TIP3 1079 21.766 83.436 5.133 1.00 0.00 WT3 O ATOM 37460 H1 TIP3 1079 20.821 83.502 5.272 1.00 0.00 WT3 H ATOM 37461 H2 TIP3 1079 21.955 82.500 5.203 1.00 0.00 WT3 H ATOM 37462 OH2 TIP3 1080 30.275 73.907 33.531 1.00 0.00 WT3 O ATOM 37463 H1 TIP3 1080 30.278 74.707 34.058 1.00 0.00 WT3 H ATOM 37464 H2 TIP3 1080 31.201 73.697 33.409 1.00 0.00 WT3 H ATOM 37465 OH2 TIP3 1082 22.394 79.264 -0.481 1.00 0.00 WT3 O ATOM 37466 H1 TIP3 1082 21.515 79.021 -0.773 1.00 0.00 WT3 H ATOM 37467 H2 TIP3 1082 22.980 78.851 -1.115 1.00 0.00 WT3 H ATOM 37468 OH2 TIP3 1084 70.351 93.903 32.511 1.00 0.00 WT3 O ATOM 37469 H1 TIP3 1084 70.695 93.697 33.380 1.00 0.00 WT3 H ATOM 37470 H2 TIP3 1084 69.727 93.201 32.327 1.00 0.00 WT3 H ATOM 37471 OH2 TIP3 1085 55.629 83.552 47.527 1.00 0.00 WT3 O ATOM 37472 H1 TIP3 1085 55.029 84.298 47.515 1.00 0.00 WT3 H ATOM 37473 H2 TIP3 1085 55.695 83.282 46.612 1.00 0.00 WT3 H ATOM 37474 OH2 TIP3 1086 83.076 84.798 3.024 1.00 0.00 WT3 O ATOM 37475 H1 TIP3 1086 83.472 85.454 3.598 1.00 0.00 WT3 H ATOM 37476 H2 TIP3 1086 83.739 84.112 2.949 1.00 0.00 WT3 H ATOM 37477 OH2 TIP3 1087 77.158 84.712 58.281 1.00 0.00 WT3 O ATOM 37478 H1 TIP3 1087 76.877 83.796 58.270 1.00 0.00 WT3 H ATOM 37479 H2 TIP3 1087 77.640 84.825 57.462 1.00 0.00 WT3 H ATOM 37480 OH2 TIP3 1088 89.038 89.655 -17.977 1.00 0.00 WT3 O ATOM 37481 H1 TIP3 1088 88.240 89.146 -17.837 1.00 0.00 WT3 H ATOM 37482 H2 TIP3 1088 89.443 89.709 -17.111 1.00 0.00 WT3 H ATOM 37483 OH2 TIP3 1090 27.651 77.136 21.956 1.00 0.00 WT3 O ATOM 37484 H1 TIP3 1090 27.607 77.981 21.509 1.00 0.00 WT3 H ATOM 37485 H2 TIP3 1090 27.847 76.507 21.261 1.00 0.00 WT3 H ATOM 37486 OH2 TIP3 1094 71.840 44.677 64.867 1.00 0.00 WT3 O ATOM 37487 H1 TIP3 1094 72.330 45.471 65.081 1.00 0.00 WT3 H ATOM 37488 H2 TIP3 1094 71.234 44.565 65.599 1.00 0.00 WT3 H ATOM 37489 OH2 TIP3 1096 64.396 67.974 -7.424 1.00 0.00 WT3 O ATOM 37490 H1 TIP3 1096 64.145 67.068 -7.245 1.00 0.00 WT3 H ATOM 37491 H2 TIP3 1096 63.596 68.479 -7.278 1.00 0.00 WT3 H ATOM 37492 OH2 TIP3 1098 55.836 63.446 -4.966 1.00 0.00 WT3 O ATOM 37493 H1 TIP3 1098 55.924 64.160 -4.335 1.00 0.00 WT3 H ATOM 37494 H2 TIP3 1098 55.488 62.715 -4.455 1.00 0.00 WT3 H ATOM 37495 OH2 TIP3 1100 53.706 93.114 30.400 1.00 0.00 WT3 O ATOM 37496 H1 TIP3 1100 54.275 92.702 31.050 1.00 0.00 WT3 H ATOM 37497 H2 TIP3 1100 54.194 93.052 29.579 1.00 0.00 WT3 H ATOM 37498 OH2 TIP3 1102 42.223 73.857 -8.568 1.00 0.00 WT3 O ATOM 37499 H1 TIP3 1102 42.826 74.589 -8.437 1.00 0.00 WT3 H ATOM 37500 H2 TIP3 1102 42.271 73.358 -7.752 1.00 0.00 WT3 H ATOM 37501 OH2 TIP3 1103 50.135 84.876 7.752 1.00 0.00 WT3 O ATOM 37502 H1 TIP3 1103 49.577 84.451 7.101 1.00 0.00 WT3 H ATOM 37503 H2 TIP3 1103 50.969 84.411 7.694 1.00 0.00 WT3 H ATOM 37504 OH2 TIP3 1107 62.650 83.484 -0.706 1.00 0.00 WT3 O ATOM 37505 H1 TIP3 1107 62.680 82.675 -0.196 1.00 0.00 WT3 H ATOM 37506 H2 TIP3 1107 63.484 83.916 -0.521 1.00 0.00 WT3 H ATOM 37507 OH2 TIP3 1108 89.516 49.462 42.973 1.00 0.00 WT3 O ATOM 37508 H1 TIP3 1108 89.007 50.107 42.481 1.00 0.00 WT3 H ATOM 37509 H2 TIP3 1108 88.931 48.710 43.058 1.00 0.00 WT3 H ATOM 37510 OH2 TIP3 1112 66.336 1.556 44.152 1.00 0.00 WT3 O ATOM 37511 H1 TIP3 1112 66.165 1.513 45.093 1.00 0.00 WT3 H ATOM 37512 H2 TIP3 1112 65.533 1.227 43.747 1.00 0.00 WT3 H ATOM 37513 OH2 TIP3 1115 37.039 65.294 56.164 1.00 0.00 WT3 O ATOM 37514 H1 TIP3 1115 37.047 66.068 56.727 1.00 0.00 WT3 H ATOM 37515 H2 TIP3 1115 36.116 65.047 56.108 1.00 0.00 WT3 H ATOM 37516 OH2 TIP3 1117 41.185 6.525 53.413 1.00 0.00 WT3 O ATOM 37517 H1 TIP3 1117 41.402 5.751 52.892 1.00 0.00 WT3 H ATOM 37518 H2 TIP3 1117 40.251 6.666 53.255 1.00 0.00 WT3 H ATOM 37519 OH2 TIP3 1118 79.418 76.399 7.971 1.00 0.00 WT3 O ATOM 37520 H1 TIP3 1118 80.305 76.106 7.759 1.00 0.00 WT3 H ATOM 37521 H2 TIP3 1118 78.871 75.626 7.833 1.00 0.00 WT3 H ATOM 37522 OH2 TIP3 1119 69.299 90.454 -17.731 1.00 0.00 WT3 O ATOM 37523 H1 TIP3 1119 68.365 90.605 -17.586 1.00 0.00 WT3 H ATOM 37524 H2 TIP3 1119 69.725 90.822 -16.956 1.00 0.00 WT3 H ATOM 37525 OH2 TIP3 1120 71.185 32.208 2.073 1.00 0.00 WT3 O ATOM 37526 H1 TIP3 1120 70.731 32.657 1.360 1.00 0.00 WT3 H ATOM 37527 H2 TIP3 1120 71.624 32.907 2.556 1.00 0.00 WT3 H ATOM 37528 OH2 TIP3 1122 68.135 54.829 -9.050 1.00 0.00 WT3 O ATOM 37529 H1 TIP3 1122 68.603 55.654 -8.926 1.00 0.00 WT3 H ATOM 37530 H2 TIP3 1122 67.664 54.942 -9.876 1.00 0.00 WT3 H ATOM 37531 OH2 TIP3 1124 90.586 47.501 52.877 1.00 0.00 WT3 O ATOM 37532 H1 TIP3 1124 91.242 47.950 53.411 1.00 0.00 WT3 H ATOM 37533 H2 TIP3 1124 89.765 47.949 53.079 1.00 0.00 WT3 H ATOM 37534 OH2 TIP3 1127 42.699 75.689 48.910 1.00 0.00 WT3 O ATOM 37535 H1 TIP3 1127 42.498 74.903 49.417 1.00 0.00 WT3 H ATOM 37536 H2 TIP3 1127 42.962 75.360 48.050 1.00 0.00 WT3 H ATOM 37537 OH2 TIP3 1129 48.092 9.067 -4.683 1.00 0.00 WT3 O ATOM 37538 H1 TIP3 1129 48.167 9.509 -3.837 1.00 0.00 WT3 H ATOM 37539 H2 TIP3 1129 47.332 9.474 -5.099 1.00 0.00 WT3 H ATOM 37540 OH2 TIP3 1131 69.934 59.916 51.865 1.00 0.00 WT3 O ATOM 37541 H1 TIP3 1131 70.738 60.241 51.459 1.00 0.00 WT3 H ATOM 37542 H2 TIP3 1131 69.819 59.038 51.502 1.00 0.00 WT3 H ATOM 37543 OH2 TIP3 1137 67.097 95.429 -5.557 1.00 0.00 WT3 O ATOM 37544 H1 TIP3 1137 67.177 96.152 -6.179 1.00 0.00 WT3 H ATOM 37545 H2 TIP3 1137 66.889 94.668 -6.099 1.00 0.00 WT3 H ATOM 37546 OH2 TIP3 1145 69.381 73.914 11.070 1.00 0.00 WT3 O ATOM 37547 H1 TIP3 1145 68.787 73.400 11.617 1.00 0.00 WT3 H ATOM 37548 H2 TIP3 1145 68.899 74.050 10.254 1.00 0.00 WT3 H ATOM 37549 OH2 TIP3 1147 25.664 80.011 2.506 1.00 0.00 WT3 O ATOM 37550 H1 TIP3 1147 25.346 79.471 1.782 1.00 0.00 WT3 H ATOM 37551 H2 TIP3 1147 25.159 79.716 3.264 1.00 0.00 WT3 H ATOM 37552 OH2 TIP3 1148 22.676 35.168 9.377 1.00 0.00 WT3 O ATOM 37553 H1 TIP3 1148 21.790 34.871 9.583 1.00 0.00 WT3 H ATOM 37554 H2 TIP3 1148 22.752 35.057 8.429 1.00 0.00 WT3 H ATOM 37555 OH2 TIP3 1151 72.551 86.889 19.149 1.00 0.00 WT3 O ATOM 37556 H1 TIP3 1151 72.572 86.140 19.744 1.00 0.00 WT3 H ATOM 37557 H2 TIP3 1151 71.627 87.134 19.103 1.00 0.00 WT3 H ATOM 37558 OH2 TIP3 1164 81.715 30.904 52.566 1.00 0.00 WT3 O ATOM 37559 H1 TIP3 1164 82.271 31.625 52.861 1.00 0.00 WT3 H ATOM 37560 H2 TIP3 1164 80.842 31.289 52.491 1.00 0.00 WT3 H ATOM 37561 OH2 TIP3 1165 87.448 2.087 34.889 1.00 0.00 WT3 O ATOM 37562 H1 TIP3 1165 86.791 2.640 34.466 1.00 0.00 WT3 H ATOM 37563 H2 TIP3 1165 86.963 1.309 35.166 1.00 0.00 WT3 H ATOM 37564 OH2 TIP3 1186 53.029 75.065 29.086 1.00 0.00 WT3 O ATOM 37565 H1 TIP3 1186 52.426 74.587 29.656 1.00 0.00 WT3 H ATOM 37566 H2 TIP3 1186 52.866 74.709 28.212 1.00 0.00 WT3 H ATOM 37567 OH2 TIP3 1190 30.080 88.152 24.514 1.00 0.00 WT3 O ATOM 37568 H1 TIP3 1190 30.157 87.856 25.420 1.00 0.00 WT3 H ATOM 37569 H2 TIP3 1190 30.867 87.818 24.084 1.00 0.00 WT3 H ATOM 37570 OH2 TIP3 1201 46.961 40.935 2.725 1.00 0.00 WT3 O ATOM 37571 H1 TIP3 1201 46.975 40.025 3.022 1.00 0.00 WT3 H ATOM 37572 H2 TIP3 1201 47.300 41.435 3.467 1.00 0.00 WT3 H ATOM 37573 OH2 TIP3 1253 32.988 77.530 9.737 1.00 0.00 WT3 O ATOM 37574 H1 TIP3 1253 32.434 76.979 10.290 1.00 0.00 WT3 H ATOM 37575 H2 TIP3 1253 33.875 77.384 10.066 1.00 0.00 WT3 H ATOM 37576 OH2 TIP3 1272 57.226 37.206 63.598 1.00 0.00 WT3 O ATOM 37577 H1 TIP3 1272 57.387 38.097 63.288 1.00 0.00 WT3 H ATOM 37578 H2 TIP3 1272 57.671 36.646 62.962 1.00 0.00 WT3 H ATOM 37579 OH2 TIP3 1274 45.434 82.579 34.257 1.00 0.00 WT3 O ATOM 37580 H1 TIP3 1274 45.197 81.656 34.165 1.00 0.00 WT3 H ATOM 37581 H2 TIP3 1274 44.635 83.003 34.568 1.00 0.00 WT3 H ATOM 37582 OH2 TIP3 1297 30.301 84.382 25.657 1.00 0.00 WT3 O ATOM 37583 H1 TIP3 1297 29.827 83.592 25.916 1.00 0.00 WT3 H ATOM 37584 H2 TIP3 1297 29.843 84.691 24.875 1.00 0.00 WT3 H ATOM 37585 OH2 TIP3 1298 87.289 85.094 63.423 1.00 0.00 WT3 O ATOM 37586 H1 TIP3 1298 87.815 84.298 63.496 1.00 0.00 WT3 H ATOM 37587 H2 TIP3 1298 86.383 84.788 63.466 1.00 0.00 WT3 H ATOM 37588 OH2 TIP3 1301 35.534 12.499 59.711 1.00 0.00 WT3 O ATOM 37589 H1 TIP3 1301 34.826 11.946 59.380 1.00 0.00 WT3 H ATOM 37590 H2 TIP3 1301 36.186 11.882 60.042 1.00 0.00 WT3 H ATOM 37591 OH2 TIP3 1305 90.226 93.882 60.026 1.00 0.00 WT3 O ATOM 37592 H1 TIP3 1305 90.649 93.096 59.679 1.00 0.00 WT3 H ATOM 37593 H2 TIP3 1305 89.292 93.674 60.021 1.00 0.00 WT3 H ATOM 37594 OH2 TIP3 1307 84.842 29.882 -13.848 1.00 0.00 WT3 O ATOM 37595 H1 TIP3 1307 85.083 30.757 -13.541 1.00 0.00 WT3 H ATOM 37596 H2 TIP3 1307 83.999 29.705 -13.430 1.00 0.00 WT3 H ATOM 37597 OH2 TIP3 1308 52.810 95.894 35.670 1.00 0.00 WT3 O ATOM 37598 H1 TIP3 1308 53.089 96.738 35.316 1.00 0.00 WT3 H ATOM 37599 H2 TIP3 1308 52.855 95.294 34.926 1.00 0.00 WT3 H ATOM 37600 OH2 TIP3 1311 23.804 65.713 -7.841 1.00 0.00 WT3 O ATOM 37601 H1 TIP3 1311 24.442 65.307 -7.254 1.00 0.00 WT3 H ATOM 37602 H2 TIP3 1311 24.135 65.528 -8.720 1.00 0.00 WT3 H ATOM 37603 OH2 TIP3 1313 39.562 58.767 38.369 1.00 0.00 WT3 O ATOM 37604 H1 TIP3 1313 39.833 59.681 38.462 1.00 0.00 WT3 H ATOM 37605 H2 TIP3 1313 40.376 58.293 38.197 1.00 0.00 WT3 H ATOM 37606 OH2 TIP3 1317 46.018 84.874 44.594 1.00 0.00 WT3 O ATOM 37607 H1 TIP3 1317 46.671 84.195 44.424 1.00 0.00 WT3 H ATOM 37608 H2 TIP3 1317 46.390 85.391 45.309 1.00 0.00 WT3 H ATOM 37609 OH2 TIP3 1321 47.860 82.983 44.946 1.00 0.00 WT3 O ATOM 37610 H1 TIP3 1321 48.596 82.395 44.776 1.00 0.00 WT3 H ATOM 37611 H2 TIP3 1321 47.807 83.032 45.901 1.00 0.00 WT3 H ATOM 37612 OH2 TIP3 1322 41.025 19.294 -9.724 1.00 0.00 WT3 O ATOM 37613 H1 TIP3 1322 41.100 18.537 -9.142 1.00 0.00 WT3 H ATOM 37614 H2 TIP3 1322 40.672 18.936 -10.539 1.00 0.00 WT3 H ATOM 37615 OH2 TIP3 1326 85.354 68.903 -10.794 1.00 0.00 WT3 O ATOM 37616 H1 TIP3 1326 86.216 69.201 -10.500 1.00 0.00 WT3 H ATOM 37617 H2 TIP3 1326 85.326 67.977 -10.554 1.00 0.00 WT3 H ATOM 37618 OH2 TIP3 1327 66.086 13.120 17.137 1.00 0.00 WT3 O ATOM 37619 H1 TIP3 1327 66.463 13.991 17.260 1.00 0.00 WT3 H ATOM 37620 H2 TIP3 1327 65.238 13.161 17.580 1.00 0.00 WT3 H ATOM 37621 OH2 TIP3 1328 65.008 51.731 40.388 1.00 0.00 WT3 O ATOM 37622 H1 TIP3 1328 64.937 52.685 40.354 1.00 0.00 WT3 H ATOM 37623 H2 TIP3 1328 64.161 51.416 40.073 1.00 0.00 WT3 H ATOM 37624 OH2 TIP3 1329 63.396 52.463 53.848 1.00 0.00 WT3 O ATOM 37625 H1 TIP3 1329 62.688 52.741 53.266 1.00 0.00 WT3 H ATOM 37626 H2 TIP3 1329 64.197 52.670 53.366 1.00 0.00 WT3 H ATOM 37627 OH2 TIP3 1330 73.915 95.585 51.793 1.00 0.00 WT3 O ATOM 37628 H1 TIP3 1330 74.410 95.087 52.443 1.00 0.00 WT3 H ATOM 37629 H2 TIP3 1330 73.035 95.656 52.164 1.00 0.00 WT3 H ATOM 37630 OH2 TIP3 1331 52.152 89.273 19.023 1.00 0.00 WT3 O ATOM 37631 H1 TIP3 1331 51.896 88.648 19.702 1.00 0.00 WT3 H ATOM 37632 H2 TIP3 1331 51.637 90.058 19.214 1.00 0.00 WT3 H ATOM 37633 OH2 TIP3 1332 48.317 10.144 47.517 1.00 0.00 WT3 O ATOM 37634 H1 TIP3 1332 48.528 10.681 48.281 1.00 0.00 WT3 H ATOM 37635 H2 TIP3 1332 47.722 10.685 46.999 1.00 0.00 WT3 H ATOM 37636 OH2 TIP3 1333 32.275 62.495 10.936 1.00 0.00 WT3 O ATOM 37637 H1 TIP3 1333 33.112 62.587 10.481 1.00 0.00 WT3 H ATOM 37638 H2 TIP3 1333 32.445 62.819 11.820 1.00 0.00 WT3 H ATOM 37639 OH2 TIP3 1337 69.553 49.111 8.557 1.00 0.00 WT3 O ATOM 37640 H1 TIP3 1337 68.736 49.565 8.347 1.00 0.00 WT3 H ATOM 37641 H2 TIP3 1337 69.359 48.629 9.361 1.00 0.00 WT3 H ATOM 37642 OH2 TIP3 1339 46.358 44.711 52.037 1.00 0.00 WT3 O ATOM 37643 H1 TIP3 1339 46.864 44.754 51.226 1.00 0.00 WT3 H ATOM 37644 H2 TIP3 1339 46.400 45.598 52.393 1.00 0.00 WT3 H ATOM 37645 OH2 TIP3 1340 73.464 44.399 20.247 1.00 0.00 WT3 O ATOM 37646 H1 TIP3 1340 73.175 43.637 19.745 1.00 0.00 WT3 H ATOM 37647 H2 TIP3 1340 72.653 44.825 20.524 1.00 0.00 WT3 H ATOM 37648 OH2 TIP3 1341 78.078 56.609 1.029 1.00 0.00 WT3 O ATOM 37649 H1 TIP3 1341 78.111 55.782 1.510 1.00 0.00 WT3 H ATOM 37650 H2 TIP3 1341 77.570 57.193 1.592 1.00 0.00 WT3 H ATOM 37651 OH2 TIP3 1342 62.364 32.273 35.313 1.00 0.00 WT3 O ATOM 37652 H1 TIP3 1342 62.902 31.830 34.657 1.00 0.00 WT3 H ATOM 37653 H2 TIP3 1342 61.474 32.228 34.965 1.00 0.00 WT3 H ATOM 37654 OH2 TIP3 1343 46.693 67.889 30.625 1.00 0.00 WT3 O ATOM 37655 H1 TIP3 1343 46.330 67.082 30.260 1.00 0.00 WT3 H ATOM 37656 H2 TIP3 1343 46.931 67.660 31.523 1.00 0.00 WT3 H ATOM 37657 OH2 TIP3 1344 20.289 90.919 4.997 1.00 0.00 WT3 O ATOM 37658 H1 TIP3 1344 20.436 91.010 5.939 1.00 0.00 WT3 H ATOM 37659 H2 TIP3 1344 20.987 90.336 4.700 1.00 0.00 WT3 H ATOM 37660 OH2 TIP3 1346 36.280 52.701 33.575 1.00 0.00 WT3 O ATOM 37661 H1 TIP3 1346 35.931 53.465 33.118 1.00 0.00 WT3 H ATOM 37662 H2 TIP3 1346 37.057 52.454 33.073 1.00 0.00 WT3 H ATOM 37663 OH2 TIP3 1347 61.317 18.373 -11.140 1.00 0.00 WT3 O ATOM 37664 H1 TIP3 1347 62.131 18.737 -10.793 1.00 0.00 WT3 H ATOM 37665 H2 TIP3 1347 61.308 18.637 -12.060 1.00 0.00 WT3 H ATOM 37666 OH2 TIP3 1348 21.293 87.111 61.495 1.00 0.00 WT3 O ATOM 37667 H1 TIP3 1348 20.661 86.416 61.677 1.00 0.00 WT3 H ATOM 37668 H2 TIP3 1348 21.590 87.397 62.359 1.00 0.00 WT3 H ATOM 37669 OH2 TIP3 1349 38.975 60.578 62.631 1.00 0.00 WT3 O ATOM 37670 H1 TIP3 1349 39.785 60.113 62.841 1.00 0.00 WT3 H ATOM 37671 H2 TIP3 1349 39.215 61.166 61.915 1.00 0.00 WT3 H ATOM 37672 OH2 TIP3 1351 37.547 61.244 57.094 1.00 0.00 WT3 O ATOM 37673 H1 TIP3 1351 37.202 61.168 56.204 1.00 0.00 WT3 H ATOM 37674 H2 TIP3 1351 38.262 61.876 57.022 1.00 0.00 WT3 H ATOM 37675 OH2 TIP3 1352 72.185 89.164 13.276 1.00 0.00 WT3 O ATOM 37676 H1 TIP3 1352 71.316 89.476 13.528 1.00 0.00 WT3 H ATOM 37677 H2 TIP3 1352 72.456 88.599 13.999 1.00 0.00 WT3 H ATOM 37678 OH2 TIP3 1354 79.717 9.114 -0.740 1.00 0.00 WT3 O ATOM 37679 H1 TIP3 1354 80.030 10.003 -0.569 1.00 0.00 WT3 H ATOM 37680 H2 TIP3 1354 80.047 8.908 -1.615 1.00 0.00 WT3 H ATOM 37681 OH2 TIP3 1355 33.167 26.834 1.138 1.00 0.00 WT3 O ATOM 37682 H1 TIP3 1355 32.249 26.803 0.866 1.00 0.00 WT3 H ATOM 37683 H2 TIP3 1355 33.305 26.012 1.610 1.00 0.00 WT3 H ATOM 37684 OH2 TIP3 1356 85.996 94.287 38.917 1.00 0.00 WT3 O ATOM 37685 H1 TIP3 1356 85.916 95.222 38.725 1.00 0.00 WT3 H ATOM 37686 H2 TIP3 1356 86.326 93.903 38.105 1.00 0.00 WT3 H ATOM 37687 OH2 TIP3 1357 76.794 80.854 23.621 1.00 0.00 WT3 O ATOM 37688 H1 TIP3 1357 77.358 80.180 23.998 1.00 0.00 WT3 H ATOM 37689 H2 TIP3 1357 76.079 80.367 23.211 1.00 0.00 WT3 H ATOM 37690 OH2 TIP3 1359 58.491 70.678 -1.553 1.00 0.00 WT3 O ATOM 37691 H1 TIP3 1359 58.837 71.405 -1.034 1.00 0.00 WT3 H ATOM 37692 H2 TIP3 1359 57.587 70.581 -1.256 1.00 0.00 WT3 H ATOM 37693 OH2 TIP3 1360 89.116 73.954 8.781 1.00 0.00 WT3 O ATOM 37694 H1 TIP3 1360 89.598 73.890 7.957 1.00 0.00 WT3 H ATOM 37695 H2 TIP3 1360 89.515 74.696 9.235 1.00 0.00 WT3 H ATOM 37696 OH2 TIP3 1361 45.961 90.792 57.863 1.00 0.00 WT3 O ATOM 37697 H1 TIP3 1361 45.966 90.996 56.928 1.00 0.00 WT3 H ATOM 37698 H2 TIP3 1361 46.163 91.624 58.291 1.00 0.00 WT3 H ATOM 37699 OH2 TIP3 1362 66.294 82.164 35.891 1.00 0.00 WT3 O ATOM 37700 H1 TIP3 1362 66.353 82.506 34.999 1.00 0.00 WT3 H ATOM 37701 H2 TIP3 1362 65.819 81.338 35.801 1.00 0.00 WT3 H ATOM 37702 OH2 TIP3 1363 60.022 60.326 35.090 1.00 0.00 WT3 O ATOM 37703 H1 TIP3 1363 59.909 59.510 34.602 1.00 0.00 WT3 H ATOM 37704 H2 TIP3 1363 59.600 60.991 34.546 1.00 0.00 WT3 H ATOM 37705 OH2 TIP3 1365 87.526 70.113 30.457 1.00 0.00 WT3 O ATOM 37706 H1 TIP3 1365 86.755 70.625 30.699 1.00 0.00 WT3 H ATOM 37707 H2 TIP3 1365 87.292 69.705 29.623 1.00 0.00 WT3 H ATOM 37708 OH2 TIP3 1367 30.494 20.813 29.706 1.00 0.00 WT3 O ATOM 37709 H1 TIP3 1367 30.130 19.963 29.953 1.00 0.00 WT3 H ATOM 37710 H2 TIP3 1367 31.197 20.603 29.091 1.00 0.00 WT3 H ATOM 37711 OH2 TIP3 1368 27.920 64.778 20.112 1.00 0.00 WT3 O ATOM 37712 H1 TIP3 1368 28.855 64.979 20.153 1.00 0.00 WT3 H ATOM 37713 H2 TIP3 1368 27.544 65.227 20.869 1.00 0.00 WT3 H ATOM 37714 OH2 TIP3 1369 56.401 78.754 24.867 1.00 0.00 WT3 O ATOM 37715 H1 TIP3 1369 56.208 78.836 25.801 1.00 0.00 WT3 H ATOM 37716 H2 TIP3 1369 55.590 78.421 24.482 1.00 0.00 WT3 H ATOM 37717 OH2 TIP3 1370 82.678 70.335 20.711 1.00 0.00 WT3 O ATOM 37718 H1 TIP3 1370 83.418 69.763 20.507 1.00 0.00 WT3 H ATOM 37719 H2 TIP3 1370 82.820 70.596 21.621 1.00 0.00 WT3 H ATOM 37720 OH2 TIP3 1371 41.093 27.822 54.558 1.00 0.00 WT3 O ATOM 37721 H1 TIP3 1371 41.245 27.715 55.497 1.00 0.00 WT3 H ATOM 37722 H2 TIP3 1371 41.967 27.791 54.168 1.00 0.00 WT3 H ATOM 37723 OH2 TIP3 1372 58.178 57.538 -9.683 1.00 0.00 WT3 O ATOM 37724 H1 TIP3 1372 57.644 56.846 -10.073 1.00 0.00 WT3 H ATOM 37725 H2 TIP3 1372 57.806 57.665 -8.810 1.00 0.00 WT3 H ATOM 37726 OH2 TIP3 1374 35.207 3.337 24.087 1.00 0.00 WT3 O ATOM 37727 H1 TIP3 1374 34.370 3.646 23.738 1.00 0.00 WT3 H ATOM 37728 H2 TIP3 1374 35.866 3.752 23.530 1.00 0.00 WT3 H ATOM 37729 OH2 TIP3 1375 36.763 61.154 -1.361 1.00 0.00 WT3 O ATOM 37730 H1 TIP3 1375 36.334 61.994 -1.202 1.00 0.00 WT3 H ATOM 37731 H2 TIP3 1375 37.240 60.970 -0.552 1.00 0.00 WT3 H ATOM 37732 OH2 TIP3 1376 31.596 77.190 28.162 1.00 0.00 WT3 O ATOM 37733 H1 TIP3 1376 31.089 77.959 28.423 1.00 0.00 WT3 H ATOM 37734 H2 TIP3 1376 32.214 77.055 28.881 1.00 0.00 WT3 H ATOM 37735 OH2 TIP3 1378 34.496 96.031 -2.447 1.00 0.00 WT3 O ATOM 37736 H1 TIP3 1378 35.203 96.277 -1.850 1.00 0.00 WT3 H ATOM 37737 H2 TIP3 1378 33.847 96.728 -2.350 1.00 0.00 WT3 H ATOM 37738 OH2 TIP3 1379 66.061 86.772 2.392 1.00 0.00 WT3 O ATOM 37739 H1 TIP3 1379 66.761 87.275 2.808 1.00 0.00 WT3 H ATOM 37740 H2 TIP3 1379 66.363 85.865 2.428 1.00 0.00 WT3 H ATOM 37741 OH2 TIP3 1380 76.089 1.453 65.526 1.00 0.00 WT3 O ATOM 37742 H1 TIP3 1380 76.423 1.935 64.769 1.00 0.00 WT3 H ATOM 37743 H2 TIP3 1380 75.589 2.101 66.021 1.00 0.00 WT3 H ATOM 37744 OH2 TIP3 1381 77.178 2.349 -0.865 1.00 0.00 WT3 O ATOM 37745 H1 TIP3 1381 76.693 3.055 -1.294 1.00 0.00 WT3 H ATOM 37746 H2 TIP3 1381 76.711 2.204 -0.042 1.00 0.00 WT3 H ATOM 37747 OH2 TIP3 1382 32.172 61.741 50.627 1.00 0.00 WT3 O ATOM 37748 H1 TIP3 1382 32.984 62.244 50.566 1.00 0.00 WT3 H ATOM 37749 H2 TIP3 1382 32.006 61.445 49.732 1.00 0.00 WT3 H ATOM 37750 OH2 TIP3 1383 60.275 63.557 29.428 1.00 0.00 WT3 O ATOM 37751 H1 TIP3 1383 59.487 63.077 29.682 1.00 0.00 WT3 H ATOM 37752 H2 TIP3 1383 60.049 63.964 28.592 1.00 0.00 WT3 H ATOM 37753 OH2 TIP3 1387 24.534 31.273 55.606 1.00 0.00 WT3 O ATOM 37754 H1 TIP3 1387 24.024 32.080 55.535 1.00 0.00 WT3 H ATOM 37755 H2 TIP3 1387 25.445 31.559 55.548 1.00 0.00 WT3 H ATOM 37756 OH2 TIP3 1388 37.267 93.798 -11.200 1.00 0.00 WT3 O ATOM 37757 H1 TIP3 1388 37.375 94.423 -10.483 1.00 0.00 WT3 H ATOM 37758 H2 TIP3 1388 38.129 93.755 -11.613 1.00 0.00 WT3 H ATOM 37759 OH2 TIP3 1389 49.893 87.514 2.032 1.00 0.00 WT3 O ATOM 37760 H1 TIP3 1389 50.150 88.014 2.806 1.00 0.00 WT3 H ATOM 37761 H2 TIP3 1389 50.719 87.302 1.597 1.00 0.00 WT3 H ATOM 37762 OH2 TIP3 1390 27.984 55.911 12.964 1.00 0.00 WT3 O ATOM 37763 H1 TIP3 1390 27.774 56.512 12.249 1.00 0.00 WT3 H ATOM 37764 H2 TIP3 1390 28.177 56.481 13.708 1.00 0.00 WT3 H ATOM 37765 OH2 TIP3 1392 77.929 57.390 3.915 1.00 0.00 WT3 O ATOM 37766 H1 TIP3 1392 77.919 56.944 4.762 1.00 0.00 WT3 H ATOM 37767 H2 TIP3 1392 77.011 57.412 3.644 1.00 0.00 WT3 H ATOM 37768 OH2 TIP3 1393 89.010 45.268 -10.095 1.00 0.00 WT3 O ATOM 37769 H1 TIP3 1393 89.586 44.802 -9.488 1.00 0.00 WT3 H ATOM 37770 H2 TIP3 1393 88.161 44.836 -9.999 1.00 0.00 WT3 H ATOM 37771 OH2 TIP3 1394 57.550 22.107 4.546 1.00 0.00 WT3 O ATOM 37772 H1 TIP3 1394 56.808 22.496 4.082 1.00 0.00 WT3 H ATOM 37773 H2 TIP3 1394 57.150 21.566 5.227 1.00 0.00 WT3 H ATOM 37774 OH2 TIP3 1395 34.887 57.934 14.955 1.00 0.00 WT3 O ATOM 37775 H1 TIP3 1395 35.474 57.737 14.225 1.00 0.00 WT3 H ATOM 37776 H2 TIP3 1395 35.392 58.524 15.516 1.00 0.00 WT3 H ATOM 37777 OH2 TIP3 1396 34.331 71.367 35.872 1.00 0.00 WT3 O ATOM 37778 H1 TIP3 1396 35.286 71.413 35.822 1.00 0.00 WT3 H ATOM 37779 H2 TIP3 1396 34.118 70.480 35.584 1.00 0.00 WT3 H ATOM 37780 OH2 TIP3 1397 60.389 66.222 -4.818 1.00 0.00 WT3 O ATOM 37781 H1 TIP3 1397 59.949 65.506 -5.277 1.00 0.00 WT3 H ATOM 37782 H2 TIP3 1397 60.551 65.879 -3.939 1.00 0.00 WT3 H ATOM 37783 OH2 TIP3 1398 48.499 67.301 51.821 1.00 0.00 WT3 O ATOM 37784 H1 TIP3 1398 47.573 67.339 52.058 1.00 0.00 WT3 H ATOM 37785 H2 TIP3 1398 48.499 67.081 50.889 1.00 0.00 WT3 H ATOM 37786 OH2 TIP3 1399 81.999 72.444 -15.867 1.00 0.00 WT3 O ATOM 37787 H1 TIP3 1399 82.360 73.318 -15.717 1.00 0.00 WT3 H ATOM 37788 H2 TIP3 1399 81.838 72.410 -16.810 1.00 0.00 WT3 H ATOM 37789 OH2 TIP3 1400 35.165 14.925 7.694 1.00 0.00 WT3 O ATOM 37790 H1 TIP3 1400 35.719 14.704 6.946 1.00 0.00 WT3 H ATOM 37791 H2 TIP3 1400 35.682 15.555 8.198 1.00 0.00 WT3 H ATOM 37792 OH2 TIP3 1401 90.766 1.634 10.640 1.00 0.00 WT3 O ATOM 37793 H1 TIP3 1401 90.900 1.967 11.527 1.00 0.00 WT3 H ATOM 37794 H2 TIP3 1401 89.833 1.766 10.471 1.00 0.00 WT3 H ATOM 37795 OH2 TIP3 1402 29.931 86.447 -15.011 1.00 0.00 WT3 O ATOM 37796 H1 TIP3 1402 30.471 85.881 -15.562 1.00 0.00 WT3 H ATOM 37797 H2 TIP3 1402 30.060 87.325 -15.370 1.00 0.00 WT3 H ATOM 37798 OH2 TIP3 1403 69.395 66.272 -17.656 1.00 0.00 WT3 O ATOM 37799 H1 TIP3 1403 70.005 65.537 -17.602 1.00 0.00 WT3 H ATOM 37800 H2 TIP3 1403 68.675 66.030 -17.074 1.00 0.00 WT3 H ATOM 37801 OH2 TIP3 1404 22.378 93.698 56.602 1.00 0.00 WT3 O ATOM 37802 H1 TIP3 1404 22.508 94.610 56.344 1.00 0.00 WT3 H ATOM 37803 H2 TIP3 1404 23.103 93.227 56.192 1.00 0.00 WT3 H ATOM 37804 OH2 TIP3 1407 84.546 45.796 -2.158 1.00 0.00 WT3 O ATOM 37805 H1 TIP3 1407 83.734 45.327 -1.962 1.00 0.00 WT3 H ATOM 37806 H2 TIP3 1407 84.308 46.722 -2.099 1.00 0.00 WT3 H ATOM 37807 OH2 TIP3 1408 35.913 22.219 0.289 1.00 0.00 WT3 O ATOM 37808 H1 TIP3 1408 36.518 21.480 0.335 1.00 0.00 WT3 H ATOM 37809 H2 TIP3 1408 35.468 22.218 1.137 1.00 0.00 WT3 H ATOM 37810 OH2 TIP3 1409 69.823 70.246 47.637 1.00 0.00 WT3 O ATOM 37811 H1 TIP3 1409 68.892 70.286 47.855 1.00 0.00 WT3 H ATOM 37812 H2 TIP3 1409 69.865 69.684 46.864 1.00 0.00 WT3 H ATOM 37813 OH2 TIP3 1411 56.808 85.772 -0.828 1.00 0.00 WT3 O ATOM 37814 H1 TIP3 1411 56.958 85.247 -0.042 1.00 0.00 WT3 H ATOM 37815 H2 TIP3 1411 56.817 85.139 -1.546 1.00 0.00 WT3 H ATOM 37816 OH2 TIP3 1412 33.703 41.531 2.243 1.00 0.00 WT3 O ATOM 37817 H1 TIP3 1412 34.340 41.839 2.887 1.00 0.00 WT3 H ATOM 37818 H2 TIP3 1412 34.008 41.894 1.411 1.00 0.00 WT3 H ATOM 37819 OH2 TIP3 1413 21.393 76.355 60.879 1.00 0.00 WT3 O ATOM 37820 H1 TIP3 1413 21.581 75.780 60.137 1.00 0.00 WT3 H ATOM 37821 H2 TIP3 1413 21.580 77.236 60.554 1.00 0.00 WT3 H ATOM 37822 OH2 TIP3 1414 32.267 77.664 45.076 1.00 0.00 WT3 O ATOM 37823 H1 TIP3 1414 31.451 77.226 44.832 1.00 0.00 WT3 H ATOM 37824 H2 TIP3 1414 32.904 76.955 45.159 1.00 0.00 WT3 H ATOM 37825 OH2 TIP3 1415 82.961 29.172 27.965 1.00 0.00 WT3 O ATOM 37826 H1 TIP3 1415 82.309 29.241 27.267 1.00 0.00 WT3 H ATOM 37827 H2 TIP3 1415 82.573 29.642 28.703 1.00 0.00 WT3 H ATOM 37828 OH2 TIP3 1416 48.042 88.749 50.499 1.00 0.00 WT3 O ATOM 37829 H1 TIP3 1416 48.601 88.520 49.757 1.00 0.00 WT3 H ATOM 37830 H2 TIP3 1416 47.446 88.005 50.589 1.00 0.00 WT3 H ATOM 37831 OH2 TIP3 1417 27.521 5.918 44.687 1.00 0.00 WT3 O ATOM 37832 H1 TIP3 1417 28.411 6.123 44.402 1.00 0.00 WT3 H ATOM 37833 H2 TIP3 1417 27.618 5.141 45.237 1.00 0.00 WT3 H ATOM 37834 OH2 TIP3 1418 50.954 51.667 34.740 1.00 0.00 WT3 O ATOM 37835 H1 TIP3 1418 51.216 52.314 35.396 1.00 0.00 WT3 H ATOM 37836 H2 TIP3 1418 51.224 52.049 33.905 1.00 0.00 WT3 H ATOM 37837 OH2 TIP3 1419 83.601 37.903 44.062 1.00 0.00 WT3 O ATOM 37838 H1 TIP3 1419 84.427 37.989 43.585 1.00 0.00 WT3 H ATOM 37839 H2 TIP3 1419 83.358 36.984 43.956 1.00 0.00 WT3 H ATOM 37840 OH2 TIP3 1420 88.165 94.371 5.355 1.00 0.00 WT3 O ATOM 37841 H1 TIP3 1420 87.396 94.941 5.351 1.00 0.00 WT3 H ATOM 37842 H2 TIP3 1420 87.968 93.705 6.014 1.00 0.00 WT3 H ATOM 37843 OH2 TIP3 1421 59.209 73.225 29.270 1.00 0.00 WT3 O ATOM 37844 H1 TIP3 1421 58.958 72.662 28.538 1.00 0.00 WT3 H ATOM 37845 H2 TIP3 1421 58.410 73.316 29.788 1.00 0.00 WT3 H ATOM 37846 OH2 TIP3 1422 60.804 93.527 4.258 1.00 0.00 WT3 O ATOM 37847 H1 TIP3 1422 60.805 94.458 4.482 1.00 0.00 WT3 H ATOM 37848 H2 TIP3 1422 61.695 93.353 3.954 1.00 0.00 WT3 H ATOM 37849 OH2 TIP3 1423 25.762 20.538 8.935 1.00 0.00 WT3 O ATOM 37850 H1 TIP3 1423 26.118 19.684 8.690 1.00 0.00 WT3 H ATOM 37851 H2 TIP3 1423 26.041 21.124 8.232 1.00 0.00 WT3 H ATOM 37852 OH2 TIP3 1424 34.718 82.602 41.445 1.00 0.00 WT3 O ATOM 37853 H1 TIP3 1424 34.759 82.938 40.550 1.00 0.00 WT3 H ATOM 37854 H2 TIP3 1424 35.624 82.634 41.754 1.00 0.00 WT3 H ATOM 37855 OH2 TIP3 1426 36.934 72.005 62.772 1.00 0.00 WT3 O ATOM 37856 H1 TIP3 1426 35.978 72.040 62.776 1.00 0.00 WT3 H ATOM 37857 H2 TIP3 1426 37.208 72.918 62.682 1.00 0.00 WT3 H ATOM 37858 OH2 TIP3 1428 56.016 32.893 -15.198 1.00 0.00 WT3 O ATOM 37859 H1 TIP3 1428 55.507 33.699 -15.108 1.00 0.00 WT3 H ATOM 37860 H2 TIP3 1428 55.930 32.657 -16.121 1.00 0.00 WT3 H ATOM 37861 OH2 TIP3 1429 86.723 75.433 -19.509 1.00 0.00 WT3 O ATOM 37862 H1 TIP3 1429 85.806 75.200 -19.364 1.00 0.00 WT3 H ATOM 37863 H2 TIP3 1429 86.689 76.283 -19.946 1.00 0.00 WT3 H ATOM 37864 OH2 TIP3 1430 66.426 74.203 47.755 1.00 0.00 WT3 O ATOM 37865 H1 TIP3 1430 65.866 73.436 47.876 1.00 0.00 WT3 H ATOM 37866 H2 TIP3 1430 66.545 74.266 46.807 1.00 0.00 WT3 H ATOM 37867 OH2 TIP3 1431 42.814 76.793 22.886 1.00 0.00 WT3 O ATOM 37868 H1 TIP3 1431 42.874 75.883 22.595 1.00 0.00 WT3 H ATOM 37869 H2 TIP3 1431 43.203 76.792 23.761 1.00 0.00 WT3 H ATOM 37870 OH2 TIP3 1433 72.675 82.119 15.481 1.00 0.00 WT3 O ATOM 37871 H1 TIP3 1433 72.494 82.849 14.889 1.00 0.00 WT3 H ATOM 37872 H2 TIP3 1433 72.120 82.285 16.243 1.00 0.00 WT3 H ATOM 37873 OH2 TIP3 1434 87.155 69.344 27.766 1.00 0.00 WT3 O ATOM 37874 H1 TIP3 1434 86.304 68.961 27.555 1.00 0.00 WT3 H ATOM 37875 H2 TIP3 1434 87.791 68.743 27.378 1.00 0.00 WT3 H ATOM 37876 OH2 TIP3 1435 64.307 8.702 33.160 1.00 0.00 WT3 O ATOM 37877 H1 TIP3 1435 64.807 9.334 32.643 1.00 0.00 WT3 H ATOM 37878 H2 TIP3 1435 63.400 8.831 32.885 1.00 0.00 WT3 H ATOM 37879 OH2 TIP3 1436 52.019 85.077 24.946 1.00 0.00 WT3 O ATOM 37880 H1 TIP3 1436 52.069 84.989 23.994 1.00 0.00 WT3 H ATOM 37881 H2 TIP3 1436 51.129 85.388 25.112 1.00 0.00 WT3 H ATOM 37882 OH2 TIP3 1437 76.871 76.389 25.754 1.00 0.00 WT3 O ATOM 37883 H1 TIP3 1437 77.627 75.933 25.384 1.00 0.00 WT3 H ATOM 37884 H2 TIP3 1437 76.622 75.862 26.513 1.00 0.00 WT3 H ATOM 37885 OH2 TIP3 1438 34.738 74.187 2.823 1.00 0.00 WT3 O ATOM 37886 H1 TIP3 1438 34.031 74.812 2.988 1.00 0.00 WT3 H ATOM 37887 H2 TIP3 1438 35.050 73.943 3.695 1.00 0.00 WT3 H ATOM 37888 OH2 TIP3 1439 65.205 52.991 -4.894 1.00 0.00 WT3 O ATOM 37889 H1 TIP3 1439 65.741 53.548 -5.458 1.00 0.00 WT3 H ATOM 37890 H2 TIP3 1439 64.541 53.580 -4.535 1.00 0.00 WT3 H ATOM 37891 OH2 TIP3 1440 85.208 26.061 -14.564 1.00 0.00 WT3 O ATOM 37892 H1 TIP3 1440 84.541 25.375 -14.556 1.00 0.00 WT3 H ATOM 37893 H2 TIP3 1440 85.094 26.497 -15.408 1.00 0.00 WT3 H ATOM 37894 OH2 TIP3 1441 34.605 90.091 -3.774 1.00 0.00 WT3 O ATOM 37895 H1 TIP3 1441 35.318 90.093 -3.135 1.00 0.00 WT3 H ATOM 37896 H2 TIP3 1441 35.024 89.846 -4.599 1.00 0.00 WT3 H ATOM 37897 OH2 TIP3 1442 39.070 64.682 36.545 1.00 0.00 WT3 O ATOM 37898 H1 TIP3 1442 39.939 64.950 36.246 1.00 0.00 WT3 H ATOM 37899 H2 TIP3 1442 39.178 64.520 37.482 1.00 0.00 WT3 H ATOM 37900 OH2 TIP3 1444 57.997 76.389 40.351 1.00 0.00 WT3 O ATOM 37901 H1 TIP3 1444 57.345 75.809 39.956 1.00 0.00 WT3 H ATOM 37902 H2 TIP3 1444 58.579 75.803 40.834 1.00 0.00 WT3 H ATOM 37903 OH2 TIP3 1445 45.856 43.438 43.897 1.00 0.00 WT3 O ATOM 37904 H1 TIP3 1445 45.332 44.221 43.727 1.00 0.00 WT3 H ATOM 37905 H2 TIP3 1445 45.746 42.900 43.113 1.00 0.00 WT3 H ATOM 37906 OH2 TIP3 1446 47.095 50.158 58.807 1.00 0.00 WT3 O ATOM 37907 H1 TIP3 1446 46.658 50.209 59.658 1.00 0.00 WT3 H ATOM 37908 H2 TIP3 1446 46.425 50.426 58.177 1.00 0.00 WT3 H ATOM 37909 OH2 TIP3 1448 43.944 81.904 11.448 1.00 0.00 WT3 O ATOM 37910 H1 TIP3 1448 44.284 82.609 10.897 1.00 0.00 WT3 H ATOM 37911 H2 TIP3 1448 44.715 81.389 11.684 1.00 0.00 WT3 H ATOM 37912 OH2 TIP3 1449 82.176 81.986 28.773 1.00 0.00 WT3 O ATOM 37913 H1 TIP3 1449 82.188 81.029 28.798 1.00 0.00 WT3 H ATOM 37914 H2 TIP3 1449 81.968 82.247 29.670 1.00 0.00 WT3 H ATOM 37915 OH2 TIP3 1450 70.646 22.774 56.849 1.00 0.00 WT3 O ATOM 37916 H1 TIP3 1450 69.780 23.068 57.130 1.00 0.00 WT3 H ATOM 37917 H2 TIP3 1450 71.176 23.571 56.829 1.00 0.00 WT3 H ATOM 37918 OH2 TIP3 1451 30.059 95.067 -13.600 1.00 0.00 WT3 O ATOM 37919 H1 TIP3 1451 29.559 95.479 -14.305 1.00 0.00 WT3 H ATOM 37920 H2 TIP3 1451 29.931 94.127 -13.733 1.00 0.00 WT3 H ATOM 37921 OH2 TIP3 1453 72.909 61.698 3.193 1.00 0.00 WT3 O ATOM 37922 H1 TIP3 1453 72.039 61.851 2.825 1.00 0.00 WT3 H ATOM 37923 H2 TIP3 1453 72.751 61.536 4.123 1.00 0.00 WT3 H ATOM 37924 OH2 TIP3 1454 88.031 30.246 16.924 1.00 0.00 WT3 O ATOM 37925 H1 TIP3 1454 87.626 30.112 17.780 1.00 0.00 WT3 H ATOM 37926 H2 TIP3 1454 87.908 29.413 16.468 1.00 0.00 WT3 H ATOM 37927 OH2 TIP3 1455 89.491 38.273 5.798 1.00 0.00 WT3 O ATOM 37928 H1 TIP3 1455 89.781 38.123 6.698 1.00 0.00 WT3 H ATOM 37929 H2 TIP3 1455 90.164 38.840 5.420 1.00 0.00 WT3 H ATOM 37930 OH2 TIP3 1456 88.799 86.234 49.754 1.00 0.00 WT3 O ATOM 37931 H1 TIP3 1456 88.843 85.279 49.800 1.00 0.00 WT3 H ATOM 37932 H2 TIP3 1456 87.864 86.429 49.706 1.00 0.00 WT3 H ATOM 37933 OH2 TIP3 1457 81.457 36.497 7.450 1.00 0.00 WT3 O ATOM 37934 H1 TIP3 1457 80.849 37.228 7.345 1.00 0.00 WT3 H ATOM 37935 H2 TIP3 1457 82.052 36.777 8.145 1.00 0.00 WT3 H ATOM 37936 OH2 TIP3 1458 69.494 81.343 58.597 1.00 0.00 WT3 O ATOM 37937 H1 TIP3 1458 69.398 82.289 58.707 1.00 0.00 WT3 H ATOM 37938 H2 TIP3 1458 69.198 80.974 59.429 1.00 0.00 WT3 H ATOM 37939 OH2 TIP3 1459 30.831 20.053 65.797 1.00 0.00 WT3 O ATOM 37940 H1 TIP3 1459 30.063 20.032 66.368 1.00 0.00 WT3 H ATOM 37941 H2 TIP3 1459 30.473 20.163 64.916 1.00 0.00 WT3 H ATOM 37942 OH2 TIP3 1460 38.859 4.803 16.500 1.00 0.00 WT3 O ATOM 37943 H1 TIP3 1460 38.454 5.507 17.006 1.00 0.00 WT3 H ATOM 37944 H2 TIP3 1460 38.280 4.051 16.630 1.00 0.00 WT3 H ATOM 37945 OH2 TIP3 1461 26.750 79.864 -15.352 1.00 0.00 WT3 O ATOM 37946 H1 TIP3 1461 26.866 80.780 -15.099 1.00 0.00 WT3 H ATOM 37947 H2 TIP3 1461 27.502 79.412 -14.969 1.00 0.00 WT3 H ATOM 37948 OH2 TIP3 1462 90.714 85.196 37.529 1.00 0.00 WT3 O ATOM 37949 H1 TIP3 1462 90.619 86.013 37.039 1.00 0.00 WT3 H ATOM 37950 H2 TIP3 1462 90.132 84.580 37.083 1.00 0.00 WT3 H ATOM 37951 OH2 TIP3 1463 57.014 76.181 28.863 1.00 0.00 WT3 O ATOM 37952 H1 TIP3 1463 56.534 75.796 29.597 1.00 0.00 WT3 H ATOM 37953 H2 TIP3 1463 56.806 75.615 28.119 1.00 0.00 WT3 H ATOM 37954 OH2 TIP3 1464 65.695 8.770 19.003 1.00 0.00 WT3 O ATOM 37955 H1 TIP3 1464 65.651 8.624 18.058 1.00 0.00 WT3 H ATOM 37956 H2 TIP3 1464 65.787 7.894 19.378 1.00 0.00 WT3 H ATOM 37957 OH2 TIP3 1465 24.810 92.622 -12.672 1.00 0.00 WT3 O ATOM 37958 H1 TIP3 1465 25.251 92.683 -11.824 1.00 0.00 WT3 H ATOM 37959 H2 TIP3 1465 25.305 91.958 -13.152 1.00 0.00 WT3 H ATOM 37960 OH2 TIP3 1467 67.768 17.035 47.349 1.00 0.00 WT3 O ATOM 37961 H1 TIP3 1467 67.287 16.658 46.612 1.00 0.00 WT3 H ATOM 37962 H2 TIP3 1467 67.418 17.922 47.435 1.00 0.00 WT3 H ATOM 37963 OH2 TIP3 1468 27.938 9.838 -12.870 1.00 0.00 WT3 O ATOM 37964 H1 TIP3 1468 28.296 10.725 -12.850 1.00 0.00 WT3 H ATOM 37965 H2 TIP3 1468 26.994 9.962 -12.965 1.00 0.00 WT3 H ATOM 37966 OH2 TIP3 1470 26.322 57.220 48.378 1.00 0.00 WT3 O ATOM 37967 H1 TIP3 1470 27.138 56.868 48.735 1.00 0.00 WT3 H ATOM 37968 H2 TIP3 1470 25.634 56.716 48.813 1.00 0.00 WT3 H ATOM 37969 OH2 TIP3 1471 29.082 88.696 4.673 1.00 0.00 WT3 O ATOM 37970 H1 TIP3 1471 28.847 88.469 5.573 1.00 0.00 WT3 H ATOM 37971 H2 TIP3 1471 28.786 87.949 4.152 1.00 0.00 WT3 H ATOM 37972 OH2 TIP3 1474 63.462 15.213 8.924 1.00 0.00 WT3 O ATOM 37973 H1 TIP3 1474 64.011 14.729 8.307 1.00 0.00 WT3 H ATOM 37974 H2 TIP3 1474 63.843 16.091 8.946 1.00 0.00 WT3 H ATOM 37975 OH2 TIP3 1475 75.851 93.950 0.533 1.00 0.00 WT3 O ATOM 37976 H1 TIP3 1475 75.986 94.337 -0.332 1.00 0.00 WT3 H ATOM 37977 H2 TIP3 1475 74.903 93.984 0.665 1.00 0.00 WT3 H ATOM 37978 OH2 TIP3 1476 26.902 26.214 11.070 1.00 0.00 WT3 O ATOM 37979 H1 TIP3 1476 26.921 26.809 11.819 1.00 0.00 WT3 H ATOM 37980 H2 TIP3 1476 26.901 25.339 11.458 1.00 0.00 WT3 H ATOM 37981 OH2 TIP3 1478 25.071 96.671 54.469 1.00 0.00 WT3 O ATOM 37982 H1 TIP3 1478 25.394 96.226 53.685 1.00 0.00 WT3 H ATOM 37983 H2 TIP3 1478 25.697 96.435 55.154 1.00 0.00 WT3 H ATOM 37984 OH2 TIP3 1479 58.917 62.091 -10.769 1.00 0.00 WT3 O ATOM 37985 H1 TIP3 1479 58.500 62.187 -9.912 1.00 0.00 WT3 H ATOM 37986 H2 TIP3 1479 58.699 61.200 -11.043 1.00 0.00 WT3 H ATOM 37987 OH2 TIP3 1480 36.359 31.455 22.288 1.00 0.00 WT3 O ATOM 37988 H1 TIP3 1480 35.847 31.588 21.490 1.00 0.00 WT3 H ATOM 37989 H2 TIP3 1480 35.984 32.070 22.918 1.00 0.00 WT3 H ATOM 37990 OH2 TIP3 1481 35.220 72.881 38.792 1.00 0.00 WT3 O ATOM 37991 H1 TIP3 1481 35.828 72.470 38.177 1.00 0.00 WT3 H ATOM 37992 H2 TIP3 1481 34.807 73.583 38.289 1.00 0.00 WT3 H ATOM 37993 OH2 TIP3 1482 25.342 88.461 7.054 1.00 0.00 WT3 O ATOM 37994 H1 TIP3 1482 24.727 87.966 7.597 1.00 0.00 WT3 H ATOM 37995 H2 TIP3 1482 25.277 89.360 7.377 1.00 0.00 WT3 H ATOM 37996 OH2 TIP3 1484 57.138 72.802 44.297 1.00 0.00 WT3 O ATOM 37997 H1 TIP3 1484 56.848 73.437 43.642 1.00 0.00 WT3 H ATOM 37998 H2 TIP3 1484 56.436 72.152 44.328 1.00 0.00 WT3 H ATOM 37999 OH2 TIP3 1486 65.636 46.619 56.761 1.00 0.00 WT3 O ATOM 38000 H1 TIP3 1486 65.321 46.823 55.880 1.00 0.00 WT3 H ATOM 38001 H2 TIP3 1486 65.010 45.978 57.098 1.00 0.00 WT3 H ATOM 38002 OH2 TIP3 1487 85.436 87.003 65.104 1.00 0.00 WT3 O ATOM 38003 H1 TIP3 1487 84.969 86.417 64.509 1.00 0.00 WT3 H ATOM 38004 H2 TIP3 1487 85.762 86.431 65.799 1.00 0.00 WT3 H ATOM 38005 OH2 TIP3 1489 22.315 60.759 54.193 1.00 0.00 WT3 O ATOM 38006 H1 TIP3 1489 21.624 61.225 53.722 1.00 0.00 WT3 H ATOM 38007 H2 TIP3 1489 23.014 61.406 54.295 1.00 0.00 WT3 H ATOM 38008 OH2 TIP3 1491 59.000 35.613 -2.426 1.00 0.00 WT3 O ATOM 38009 H1 TIP3 1491 58.791 35.523 -1.496 1.00 0.00 WT3 H ATOM 38010 H2 TIP3 1491 58.162 35.813 -2.843 1.00 0.00 WT3 H ATOM 38011 OH2 TIP3 1493 42.435 3.707 29.676 1.00 0.00 WT3 O ATOM 38012 H1 TIP3 1493 42.258 2.906 29.183 1.00 0.00 WT3 H ATOM 38013 H2 TIP3 1493 42.784 4.317 29.026 1.00 0.00 WT3 H ATOM 38014 OH2 TIP3 1494 65.809 18.555 58.256 1.00 0.00 WT3 O ATOM 38015 H1 TIP3 1494 65.218 17.890 57.903 1.00 0.00 WT3 H ATOM 38016 H2 TIP3 1494 65.972 18.277 59.158 1.00 0.00 WT3 H ATOM 38017 OH2 TIP3 1495 73.498 72.993 55.914 1.00 0.00 WT3 O ATOM 38018 H1 TIP3 1495 73.164 73.244 55.053 1.00 0.00 WT3 H ATOM 38019 H2 TIP3 1495 73.953 72.164 55.763 1.00 0.00 WT3 H ATOM 38020 OH2 TIP3 1496 84.893 32.365 6.187 1.00 0.00 WT3 O ATOM 38021 H1 TIP3 1496 84.212 32.687 5.596 1.00 0.00 WT3 H ATOM 38022 H2 TIP3 1496 85.692 32.801 5.893 1.00 0.00 WT3 H ATOM 38023 OH2 TIP3 1497 89.202 23.371 53.401 1.00 0.00 WT3 O ATOM 38024 H1 TIP3 1497 89.954 23.936 53.578 1.00 0.00 WT3 H ATOM 38025 H2 TIP3 1497 89.578 22.595 52.985 1.00 0.00 WT3 H ATOM 38026 OH2 TIP3 1499 40.307 60.897 15.247 1.00 0.00 WT3 O ATOM 38027 H1 TIP3 1499 40.648 61.776 15.414 1.00 0.00 WT3 H ATOM 38028 H2 TIP3 1499 40.918 60.313 15.697 1.00 0.00 WT3 H ATOM 38029 OH2 TIP3 1501 84.665 66.215 42.201 1.00 0.00 WT3 O ATOM 38030 H1 TIP3 1501 84.888 65.287 42.124 1.00 0.00 WT3 H ATOM 38031 H2 TIP3 1501 85.015 66.476 43.053 1.00 0.00 WT3 H ATOM 38032 OH2 TIP3 1502 36.552 7.669 12.231 1.00 0.00 WT3 O ATOM 38033 H1 TIP3 1502 36.925 6.856 12.572 1.00 0.00 WT3 H ATOM 38034 H2 TIP3 1502 35.607 7.560 12.330 1.00 0.00 WT3 H ATOM 38035 OH2 TIP3 1503 84.959 50.558 60.619 1.00 0.00 WT3 O ATOM 38036 H1 TIP3 1503 84.692 51.339 60.134 1.00 0.00 WT3 H ATOM 38037 H2 TIP3 1503 85.724 50.231 60.146 1.00 0.00 WT3 H ATOM 38038 OH2 TIP3 1504 26.537 2.661 13.399 1.00 0.00 WT3 O ATOM 38039 H1 TIP3 1504 26.741 3.087 12.566 1.00 0.00 WT3 H ATOM 38040 H2 TIP3 1504 25.748 3.107 13.709 1.00 0.00 WT3 H ATOM 38041 OH2 TIP3 1505 65.446 19.499 4.920 1.00 0.00 WT3 O ATOM 38042 H1 TIP3 1505 65.662 18.846 5.586 1.00 0.00 WT3 H ATOM 38043 H2 TIP3 1505 64.501 19.625 5.007 1.00 0.00 WT3 H ATOM 38044 OH2 TIP3 1509 49.701 23.585 44.470 1.00 0.00 WT3 O ATOM 38045 H1 TIP3 1509 49.984 24.496 44.388 1.00 0.00 WT3 H ATOM 38046 H2 TIP3 1509 50.467 23.126 44.815 1.00 0.00 WT3 H ATOM 38047 OH2 TIP3 1510 50.010 83.926 34.904 1.00 0.00 WT3 O ATOM 38048 H1 TIP3 1510 49.630 84.321 35.689 1.00 0.00 WT3 H ATOM 38049 H2 TIP3 1510 49.405 83.221 34.673 1.00 0.00 WT3 H ATOM 38050 OH2 TIP3 1511 69.625 83.057 66.926 1.00 0.00 WT3 O ATOM 38051 H1 TIP3 1511 69.404 82.722 66.057 1.00 0.00 WT3 H ATOM 38052 H2 TIP3 1511 69.349 82.366 67.527 1.00 0.00 WT3 H ATOM 38053 OH2 TIP3 1512 77.139 39.133 -0.171 1.00 0.00 WT3 O ATOM 38054 H1 TIP3 1512 76.518 38.601 -0.668 1.00 0.00 WT3 H ATOM 38055 H2 TIP3 1512 77.595 39.651 -0.834 1.00 0.00 WT3 H ATOM 38056 OH2 TIP3 1513 77.763 68.509 55.351 1.00 0.00 WT3 O ATOM 38057 H1 TIP3 1513 78.282 69.143 54.856 1.00 0.00 WT3 H ATOM 38058 H2 TIP3 1513 77.827 67.699 54.846 1.00 0.00 WT3 H ATOM 38059 OH2 TIP3 1515 64.711 74.483 24.577 1.00 0.00 WT3 O ATOM 38060 H1 TIP3 1515 63.781 74.316 24.425 1.00 0.00 WT3 H ATOM 38061 H2 TIP3 1515 64.988 73.783 25.168 1.00 0.00 WT3 H ATOM 38062 OH2 TIP3 1516 23.590 66.468 40.454 1.00 0.00 WT3 O ATOM 38063 H1 TIP3 1516 23.778 65.589 40.782 1.00 0.00 WT3 H ATOM 38064 H2 TIP3 1516 24.135 66.554 39.671 1.00 0.00 WT3 H ATOM 38065 OH2 TIP3 1517 82.102 74.194 42.793 1.00 0.00 WT3 O ATOM 38066 H1 TIP3 1517 82.266 73.659 43.570 1.00 0.00 WT3 H ATOM 38067 H2 TIP3 1517 82.664 73.815 42.117 1.00 0.00 WT3 H ATOM 38068 OH2 TIP3 1518 88.402 16.019 49.466 1.00 0.00 WT3 O ATOM 38069 H1 TIP3 1518 89.079 16.660 49.250 1.00 0.00 WT3 H ATOM 38070 H2 TIP3 1518 88.856 15.359 49.990 1.00 0.00 WT3 H ATOM 38071 OH2 TIP3 1519 45.280 24.200 41.948 1.00 0.00 WT3 O ATOM 38072 H1 TIP3 1519 46.009 23.759 42.382 1.00 0.00 WT3 H ATOM 38073 H2 TIP3 1519 45.292 25.089 42.302 1.00 0.00 WT3 H ATOM 38074 OH2 TIP3 1520 47.558 89.049 28.161 1.00 0.00 WT3 O ATOM 38075 H1 TIP3 1520 47.401 88.799 29.072 1.00 0.00 WT3 H ATOM 38076 H2 TIP3 1520 48.037 88.309 27.788 1.00 0.00 WT3 H ATOM 38077 OH2 TIP3 1522 37.596 29.123 38.929 1.00 0.00 WT3 O ATOM 38078 H1 TIP3 1522 37.038 29.857 38.670 1.00 0.00 WT3 H ATOM 38079 H2 TIP3 1522 37.124 28.346 38.631 1.00 0.00 WT3 H ATOM 38080 OH2 TIP3 1523 26.691 79.366 -5.553 1.00 0.00 WT3 O ATOM 38081 H1 TIP3 1523 26.404 78.463 -5.418 1.00 0.00 WT3 H ATOM 38082 H2 TIP3 1523 25.885 79.881 -5.517 1.00 0.00 WT3 H ATOM 38083 OH2 TIP3 1524 47.633 76.241 2.828 1.00 0.00 WT3 O ATOM 38084 H1 TIP3 1524 47.896 75.945 3.699 1.00 0.00 WT3 H ATOM 38085 H2 TIP3 1524 46.677 76.204 2.840 1.00 0.00 WT3 H ATOM 38086 OH2 TIP3 1525 58.305 75.382 6.892 1.00 0.00 WT3 O ATOM 38087 H1 TIP3 1525 57.673 74.680 7.046 1.00 0.00 WT3 H ATOM 38088 H2 TIP3 1525 58.080 76.054 7.535 1.00 0.00 WT3 H ATOM 38089 OH2 TIP3 1529 47.336 74.784 53.141 1.00 0.00 WT3 O ATOM 38090 H1 TIP3 1529 46.998 74.745 52.246 1.00 0.00 WT3 H ATOM 38091 H2 TIP3 1529 48.089 75.373 53.088 1.00 0.00 WT3 H ATOM 38092 OH2 TIP3 1530 89.057 68.933 37.397 1.00 0.00 WT3 O ATOM 38093 H1 TIP3 1530 89.936 69.214 37.651 1.00 0.00 WT3 H ATOM 38094 H2 TIP3 1530 89.195 68.112 36.925 1.00 0.00 WT3 H ATOM 38095 OH2 TIP3 1532 51.014 82.431 17.603 1.00 0.00 WT3 O ATOM 38096 H1 TIP3 1532 50.064 82.521 17.527 1.00 0.00 WT3 H ATOM 38097 H2 TIP3 1532 51.140 81.632 18.115 1.00 0.00 WT3 H ATOM 38098 OH2 TIP3 1533 72.492 73.214 8.826 1.00 0.00 WT3 O ATOM 38099 H1 TIP3 1533 71.989 72.415 8.985 1.00 0.00 WT3 H ATOM 38100 H2 TIP3 1533 71.922 73.750 8.274 1.00 0.00 WT3 H ATOM 38101 OH2 TIP3 1541 40.034 10.394 13.887 1.00 0.00 WT3 O ATOM 38102 H1 TIP3 1541 39.223 10.839 13.639 1.00 0.00 WT3 H ATOM 38103 H2 TIP3 1541 39.761 9.735 14.525 1.00 0.00 WT3 H ATOM 38104 OH2 TIP3 1542 83.705 65.919 2.693 1.00 0.00 WT3 O ATOM 38105 H1 TIP3 1542 83.381 65.271 3.319 1.00 0.00 WT3 H ATOM 38106 H2 TIP3 1542 84.658 65.858 2.758 1.00 0.00 WT3 H ATOM 38107 OH2 TIP3 1547 21.015 76.251 26.959 1.00 0.00 WT3 O ATOM 38108 H1 TIP3 1547 20.205 75.744 27.013 1.00 0.00 WT3 H ATOM 38109 H2 TIP3 1547 21.291 76.164 26.046 1.00 0.00 WT3 H ATOM 38110 OH2 TIP3 1548 61.686 20.313 22.135 1.00 0.00 WT3 O ATOM 38111 H1 TIP3 1548 61.619 21.264 22.051 1.00 0.00 WT3 H ATOM 38112 H2 TIP3 1548 61.325 19.974 21.316 1.00 0.00 WT3 H ATOM 38113 OH2 TIP3 1550 47.031 32.034 -11.982 1.00 0.00 WT3 O ATOM 38114 H1 TIP3 1550 47.784 32.479 -12.371 1.00 0.00 WT3 H ATOM 38115 H2 TIP3 1550 47.367 31.178 -11.719 1.00 0.00 WT3 H ATOM 38116 OH2 TIP3 1551 42.576 1.978 -5.857 1.00 0.00 WT3 O ATOM 38117 H1 TIP3 1551 42.424 2.818 -5.424 1.00 0.00 WT3 H ATOM 38118 H2 TIP3 1551 41.889 1.405 -5.518 1.00 0.00 WT3 H ATOM 38119 OH2 TIP3 1558 75.688 3.644 7.066 1.00 0.00 WT3 O ATOM 38120 H1 TIP3 1558 74.881 4.111 7.284 1.00 0.00 WT3 H ATOM 38121 H2 TIP3 1558 75.554 2.760 7.408 1.00 0.00 WT3 H ATOM 38122 OH2 TIP3 1559 60.587 23.052 56.601 1.00 0.00 WT3 O ATOM 38123 H1 TIP3 1559 61.146 23.648 56.102 1.00 0.00 WT3 H ATOM 38124 H2 TIP3 1559 59.770 23.536 56.725 1.00 0.00 WT3 H ATOM 38125 OH2 TIP3 1587 31.605 9.026 -0.095 1.00 0.00 WT3 O ATOM 38126 H1 TIP3 1587 31.264 8.512 -0.827 1.00 0.00 WT3 H ATOM 38127 H2 TIP3 1587 30.920 8.976 0.573 1.00 0.00 WT3 H ATOM 38128 OH2 TIP3 1592 79.926 90.648 66.700 1.00 0.00 WT3 O ATOM 38129 H1 TIP3 1592 80.713 91.170 66.541 1.00 0.00 WT3 H ATOM 38130 H2 TIP3 1592 79.407 91.174 67.308 1.00 0.00 WT3 H ATOM 38131 OH2 TIP3 1593 72.788 31.991 66.327 1.00 0.00 WT3 O ATOM 38132 H1 TIP3 1593 72.956 32.541 67.093 1.00 0.00 WT3 H ATOM 38133 H2 TIP3 1593 72.817 32.596 65.586 1.00 0.00 WT3 H ATOM 38134 OH2 TIP3 1609 38.431 88.389 63.583 1.00 0.00 WT3 O ATOM 38135 H1 TIP3 1609 38.565 89.173 63.050 1.00 0.00 WT3 H ATOM 38136 H2 TIP3 1609 38.819 87.681 63.069 1.00 0.00 WT3 H ATOM 38137 OH2 TIP3 1611 84.829 68.548 18.286 1.00 0.00 WT3 O ATOM 38138 H1 TIP3 1611 84.209 69.073 17.781 1.00 0.00 WT3 H ATOM 38139 H2 TIP3 1611 85.689 68.811 17.960 1.00 0.00 WT3 H ATOM 38140 OH2 TIP3 1618 66.695 21.567 3.913 1.00 0.00 WT3 O ATOM 38141 H1 TIP3 1618 66.351 22.348 4.346 1.00 0.00 WT3 H ATOM 38142 H2 TIP3 1618 66.107 20.863 4.185 1.00 0.00 WT3 H ATOM 38143 OH2 TIP3 1621 78.246 82.202 -3.965 1.00 0.00 WT3 O ATOM 38144 H1 TIP3 1621 77.411 81.735 -3.994 1.00 0.00 WT3 H ATOM 38145 H2 TIP3 1621 78.018 83.082 -3.663 1.00 0.00 WT3 H ATOM 38146 OH2 TIP3 1630 21.838 74.481 10.940 1.00 0.00 WT3 O ATOM 38147 H1 TIP3 1630 21.486 75.156 10.360 1.00 0.00 WT3 H ATOM 38148 H2 TIP3 1630 21.093 74.218 11.481 1.00 0.00 WT3 H ATOM 38149 OH2 TIP3 1650 66.180 17.686 7.120 1.00 0.00 WT3 O ATOM 38150 H1 TIP3 1650 66.398 16.977 6.514 1.00 0.00 WT3 H ATOM 38151 H2 TIP3 1650 66.342 17.318 7.988 1.00 0.00 WT3 H ATOM 38152 OH2 TIP3 1670 80.136 54.029 -7.665 1.00 0.00 WT3 O ATOM 38153 H1 TIP3 1670 79.888 53.298 -7.099 1.00 0.00 WT3 H ATOM 38154 H2 TIP3 1670 81.023 53.819 -7.954 1.00 0.00 WT3 H ATOM 38155 OH2 TIP3 1692 60.804 80.155 -0.099 1.00 0.00 WT3 O ATOM 38156 H1 TIP3 1692 59.987 80.579 0.162 1.00 0.00 WT3 H ATOM 38157 H2 TIP3 1692 61.419 80.365 0.604 1.00 0.00 WT3 H ATOM 38158 OH2 TIP3 1707 68.052 -0.062 18.901 1.00 0.00 WT3 O ATOM 38159 H1 TIP3 1707 68.736 0.562 19.145 1.00 0.00 WT3 H ATOM 38160 H2 TIP3 1707 67.847 0.151 17.991 1.00 0.00 WT3 H ATOM 38161 OH2 TIP3 1711 30.449 84.781 55.604 1.00 0.00 WT3 O ATOM 38162 H1 TIP3 1711 30.452 85.736 55.547 1.00 0.00 WT3 H ATOM 38163 H2 TIP3 1711 29.902 84.498 54.872 1.00 0.00 WT3 H ATOM 38164 OH2 TIP3 1712 24.997 23.071 25.801 1.00 0.00 WT3 O ATOM 38165 H1 TIP3 1712 24.714 23.014 24.889 1.00 0.00 WT3 H ATOM 38166 H2 TIP3 1712 25.949 22.977 25.763 1.00 0.00 WT3 H ATOM 38167 OH2 TIP3 1714 37.215 10.828 61.120 1.00 0.00 WT3 O ATOM 38168 H1 TIP3 1714 36.906 9.924 61.067 1.00 0.00 WT3 H ATOM 38169 H2 TIP3 1714 37.532 10.921 62.019 1.00 0.00 WT3 H ATOM 38170 OH2 TIP3 1715 34.134 33.563 -17.650 1.00 0.00 WT3 O ATOM 38171 H1 TIP3 1715 33.747 33.984 -18.418 1.00 0.00 WT3 H ATOM 38172 H2 TIP3 1715 33.579 33.836 -16.920 1.00 0.00 WT3 H ATOM 38173 OH2 TIP3 1718 68.735 60.516 14.430 1.00 0.00 WT3 O ATOM 38174 H1 TIP3 1718 67.797 60.703 14.465 1.00 0.00 WT3 H ATOM 38175 H2 TIP3 1718 68.981 60.349 15.340 1.00 0.00 WT3 H ATOM 38176 OH2 TIP3 1722 60.029 58.681 30.299 1.00 0.00 WT3 O ATOM 38177 H1 TIP3 1722 59.792 57.804 29.996 1.00 0.00 WT3 H ATOM 38178 H2 TIP3 1722 59.709 59.266 29.612 1.00 0.00 WT3 H ATOM 38179 OH2 TIP3 1723 77.652 45.409 64.500 1.00 0.00 WT3 O ATOM 38180 H1 TIP3 1723 77.896 45.744 63.638 1.00 0.00 WT3 H ATOM 38181 H2 TIP3 1723 76.902 44.838 64.333 1.00 0.00 WT3 H ATOM 38182 OH2 TIP3 1725 79.693 38.275 6.747 1.00 0.00 WT3 O ATOM 38183 H1 TIP3 1725 78.902 37.736 6.748 1.00 0.00 WT3 H ATOM 38184 H2 TIP3 1725 79.370 39.175 6.787 1.00 0.00 WT3 H ATOM 38185 OH2 TIP3 1727 34.391 75.066 -7.374 1.00 0.00 WT3 O ATOM 38186 H1 TIP3 1727 34.677 74.749 -8.231 1.00 0.00 WT3 H ATOM 38187 H2 TIP3 1727 35.194 75.367 -6.949 1.00 0.00 WT3 H ATOM 38188 OH2 TIP3 1729 31.090 14.002 14.829 1.00 0.00 WT3 O ATOM 38189 H1 TIP3 1729 30.770 14.510 14.083 1.00 0.00 WT3 H ATOM 38190 H2 TIP3 1729 31.223 14.650 15.521 1.00 0.00 WT3 H ATOM 38191 OH2 TIP3 1730 61.306 73.100 -9.308 1.00 0.00 WT3 O ATOM 38192 H1 TIP3 1730 61.681 72.764 -8.494 1.00 0.00 WT3 H ATOM 38193 H2 TIP3 1730 60.386 72.835 -9.275 1.00 0.00 WT3 H ATOM 38194 OH2 TIP3 1733 45.657 71.757 -12.965 1.00 0.00 WT3 O ATOM 38195 H1 TIP3 1733 45.406 71.203 -12.225 1.00 0.00 WT3 H ATOM 38196 H2 TIP3 1733 44.884 71.766 -13.530 1.00 0.00 WT3 H ATOM 38197 OH2 TIP3 1736 61.109 67.619 45.878 1.00 0.00 WT3 O ATOM 38198 H1 TIP3 1736 60.883 66.750 46.208 1.00 0.00 WT3 H ATOM 38199 H2 TIP3 1736 60.496 67.769 45.158 1.00 0.00 WT3 H ATOM 38200 OH2 TIP3 1741 57.922 90.379 23.624 1.00 0.00 WT3 O ATOM 38201 H1 TIP3 1741 57.046 90.766 23.621 1.00 0.00 WT3 H ATOM 38202 H2 TIP3 1741 57.847 89.620 24.201 1.00 0.00 WT3 H ATOM 38203 OH2 TIP3 1744 33.435 42.544 -8.157 1.00 0.00 WT3 O ATOM 38204 H1 TIP3 1744 32.701 43.145 -8.031 1.00 0.00 WT3 H ATOM 38205 H2 TIP3 1744 33.024 41.696 -8.326 1.00 0.00 WT3 H ATOM 38206 OH2 TIP3 1746 54.565 65.920 -12.271 1.00 0.00 WT3 O ATOM 38207 H1 TIP3 1746 55.363 66.444 -12.211 1.00 0.00 WT3 H ATOM 38208 H2 TIP3 1746 54.762 65.125 -11.775 1.00 0.00 WT3 H ATOM 38209 OH2 TIP3 1748 81.965 10.994 -10.166 1.00 0.00 WT3 O ATOM 38210 H1 TIP3 1748 82.145 10.296 -9.536 1.00 0.00 WT3 H ATOM 38211 H2 TIP3 1748 82.787 11.480 -10.228 1.00 0.00 WT3 H ATOM 38212 OH2 TIP3 1750 45.766 47.331 53.136 1.00 0.00 WT3 O ATOM 38213 H1 TIP3 1750 45.606 47.508 54.062 1.00 0.00 WT3 H ATOM 38214 H2 TIP3 1750 45.793 48.196 52.727 1.00 0.00 WT3 H ATOM 38215 OH2 TIP3 1752 60.265 79.606 21.186 1.00 0.00 WT3 O ATOM 38216 H1 TIP3 1752 61.031 79.773 20.638 1.00 0.00 WT3 H ATOM 38217 H2 TIP3 1752 59.797 78.902 20.737 1.00 0.00 WT3 H ATOM 38218 OH2 TIP3 1755 49.697 64.157 15.118 1.00 0.00 WT3 O ATOM 38219 H1 TIP3 1755 50.311 64.385 15.816 1.00 0.00 WT3 H ATOM 38220 H2 TIP3 1755 49.447 63.252 15.304 1.00 0.00 WT3 H ATOM 38221 OH2 TIP3 1756 66.612 83.947 50.352 1.00 0.00 WT3 O ATOM 38222 H1 TIP3 1756 67.521 83.861 50.638 1.00 0.00 WT3 H ATOM 38223 H2 TIP3 1756 66.096 83.789 51.143 1.00 0.00 WT3 H ATOM 38224 OH2 TIP3 1757 74.558 90.237 -3.841 1.00 0.00 WT3 O ATOM 38225 H1 TIP3 1757 74.482 90.281 -2.888 1.00 0.00 WT3 H ATOM 38226 H2 TIP3 1757 73.734 90.599 -4.165 1.00 0.00 WT3 H ATOM 38227 OH2 TIP3 1764 63.600 63.748 24.687 1.00 0.00 WT3 O ATOM 38228 H1 TIP3 1764 63.014 63.486 23.977 1.00 0.00 WT3 H ATOM 38229 H2 TIP3 1764 63.793 62.935 25.152 1.00 0.00 WT3 H ATOM 38230 OH2 TIP3 1766 34.750 81.942 65.660 1.00 0.00 WT3 O ATOM 38231 H1 TIP3 1766 35.308 82.656 65.968 1.00 0.00 WT3 H ATOM 38232 H2 TIP3 1766 34.457 81.504 66.459 1.00 0.00 WT3 H ATOM 38233 OH2 TIP3 1768 49.332 72.653 27.857 1.00 0.00 WT3 O ATOM 38234 H1 TIP3 1768 49.026 71.757 27.998 1.00 0.00 WT3 H ATOM 38235 H2 TIP3 1768 49.976 72.579 27.153 1.00 0.00 WT3 H ATOM 38236 OH2 TIP3 1771 30.174 63.320 16.375 1.00 0.00 WT3 O ATOM 38237 H1 TIP3 1771 30.989 63.793 16.209 1.00 0.00 WT3 H ATOM 38238 H2 TIP3 1771 29.701 63.359 15.544 1.00 0.00 WT3 H ATOM 38239 OH2 TIP3 1772 40.930 51.288 8.360 1.00 0.00 WT3 O ATOM 38240 H1 TIP3 1772 41.870 51.470 8.378 1.00 0.00 WT3 H ATOM 38241 H2 TIP3 1772 40.632 51.474 9.250 1.00 0.00 WT3 H ATOM 38242 OH2 TIP3 1773 86.387 40.866 35.836 1.00 0.00 WT3 O ATOM 38243 H1 TIP3 1773 86.166 41.038 34.920 1.00 0.00 WT3 H ATOM 38244 H2 TIP3 1773 86.718 41.702 36.164 1.00 0.00 WT3 H ATOM 38245 OH2 TIP3 1775 24.703 25.367 -13.516 1.00 0.00 WT3 O ATOM 38246 H1 TIP3 1775 23.949 25.956 -13.495 1.00 0.00 WT3 H ATOM 38247 H2 TIP3 1775 24.440 24.621 -12.977 1.00 0.00 WT3 H ATOM 38248 OH2 TIP3 1776 78.670 80.479 27.919 1.00 0.00 WT3 O ATOM 38249 H1 TIP3 1776 77.780 80.449 27.568 1.00 0.00 WT3 H ATOM 38250 H2 TIP3 1776 78.596 81.007 28.714 1.00 0.00 WT3 H ATOM 38251 OH2 TIP3 1778 81.964 91.179 -16.160 1.00 0.00 WT3 O ATOM 38252 H1 TIP3 1778 82.503 91.551 -16.857 1.00 0.00 WT3 H ATOM 38253 H2 TIP3 1778 82.287 90.283 -16.059 1.00 0.00 WT3 H ATOM 38254 OH2 TIP3 1779 55.776 76.743 51.107 1.00 0.00 WT3 O ATOM 38255 H1 TIP3 1779 55.434 76.608 50.223 1.00 0.00 WT3 H ATOM 38256 H2 TIP3 1779 56.469 77.394 50.999 1.00 0.00 WT3 H ATOM 38257 OH2 TIP3 1782 44.164 58.279 57.803 1.00 0.00 WT3 O ATOM 38258 H1 TIP3 1782 43.899 58.944 57.167 1.00 0.00 WT3 H ATOM 38259 H2 TIP3 1782 43.344 57.990 58.204 1.00 0.00 WT3 H ATOM 38260 OH2 TIP3 1786 41.255 4.200 20.074 1.00 0.00 WT3 O ATOM 38261 H1 TIP3 1786 41.693 3.944 19.263 1.00 0.00 WT3 H ATOM 38262 H2 TIP3 1786 40.398 3.776 20.028 1.00 0.00 WT3 H ATOM 38263 OH2 TIP3 1788 45.913 58.464 53.556 1.00 0.00 WT3 O ATOM 38264 H1 TIP3 1788 45.965 57.510 53.617 1.00 0.00 WT3 H ATOM 38265 H2 TIP3 1788 45.644 58.632 52.653 1.00 0.00 WT3 H ATOM 38266 OH2 TIP3 1789 45.216 4.642 53.385 1.00 0.00 WT3 O ATOM 38267 H1 TIP3 1789 45.043 4.081 54.141 1.00 0.00 WT3 H ATOM 38268 H2 TIP3 1789 46.170 4.654 53.308 1.00 0.00 WT3 H ATOM 38269 OH2 TIP3 1790 80.014 73.681 -4.293 1.00 0.00 WT3 O ATOM 38270 H1 TIP3 1790 80.250 73.719 -5.220 1.00 0.00 WT3 H ATOM 38271 H2 TIP3 1790 80.728 74.134 -3.845 1.00 0.00 WT3 H ATOM 38272 OH2 TIP3 1794 53.410 12.106 29.981 1.00 0.00 WT3 O ATOM 38273 H1 TIP3 1794 53.627 12.683 29.249 1.00 0.00 WT3 H ATOM 38274 H2 TIP3 1794 53.251 11.254 29.576 1.00 0.00 WT3 H ATOM 38275 OH2 TIP3 1795 58.050 70.120 45.075 1.00 0.00 WT3 O ATOM 38276 H1 TIP3 1795 58.537 70.935 45.196 1.00 0.00 WT3 H ATOM 38277 H2 TIP3 1795 57.148 70.399 44.918 1.00 0.00 WT3 H ATOM 38278 OH2 TIP3 1796 84.287 53.980 65.584 1.00 0.00 WT3 O ATOM 38279 H1 TIP3 1796 83.358 53.918 65.364 1.00 0.00 WT3 H ATOM 38280 H2 TIP3 1796 84.733 53.512 64.879 1.00 0.00 WT3 H ATOM 38281 OH2 TIP3 1798 64.850 42.480 28.588 1.00 0.00 WT3 O ATOM 38282 H1 TIP3 1798 64.210 43.123 28.893 1.00 0.00 WT3 H ATOM 38283 H2 TIP3 1798 64.501 42.172 27.751 1.00 0.00 WT3 H ATOM 38284 OH2 TIP3 1800 31.945 72.514 27.229 1.00 0.00 WT3 O ATOM 38285 H1 TIP3 1800 32.470 73.130 26.718 1.00 0.00 WT3 H ATOM 38286 H2 TIP3 1800 31.252 72.235 26.631 1.00 0.00 WT3 H ATOM 38287 OH2 TIP3 1804 20.181 14.391 -6.932 1.00 0.00 WT3 O ATOM 38288 H1 TIP3 1804 20.208 14.159 -6.003 1.00 0.00 WT3 H ATOM 38289 H2 TIP3 1804 21.006 14.852 -7.088 1.00 0.00 WT3 H ATOM 38290 OH2 TIP3 1805 56.742 94.864 65.422 1.00 0.00 WT3 O ATOM 38291 H1 TIP3 1805 56.769 94.134 66.041 1.00 0.00 WT3 H ATOM 38292 H2 TIP3 1805 55.819 94.941 65.182 1.00 0.00 WT3 H ATOM 38293 OH2 TIP3 1808 54.216 29.592 -4.243 1.00 0.00 WT3 O ATOM 38294 H1 TIP3 1808 54.763 30.133 -3.674 1.00 0.00 WT3 H ATOM 38295 H2 TIP3 1808 53.333 29.947 -4.137 1.00 0.00 WT3 H ATOM 38296 OH2 TIP3 1810 44.074 25.052 67.328 1.00 0.00 WT3 O ATOM 38297 H1 TIP3 1810 44.141 25.063 66.373 1.00 0.00 WT3 H ATOM 38298 H2 TIP3 1810 44.059 25.976 67.578 1.00 0.00 WT3 H ATOM 38299 OH2 TIP3 1811 32.287 93.181 40.723 1.00 0.00 WT3 O ATOM 38300 H1 TIP3 1811 32.234 92.251 40.500 1.00 0.00 WT3 H ATOM 38301 H2 TIP3 1811 32.082 93.215 41.658 1.00 0.00 WT3 H ATOM 38302 OH2 TIP3 1812 37.527 48.702 66.732 1.00 0.00 WT3 O ATOM 38303 H1 TIP3 1812 37.935 47.856 66.914 1.00 0.00 WT3 H ATOM 38304 H2 TIP3 1812 36.597 48.565 66.916 1.00 0.00 WT3 H ATOM 38305 OH2 TIP3 1813 82.161 14.475 58.479 1.00 0.00 WT3 O ATOM 38306 H1 TIP3 1813 82.830 14.784 59.090 1.00 0.00 WT3 H ATOM 38307 H2 TIP3 1813 81.702 13.783 58.955 1.00 0.00 WT3 H ATOM 38308 OH2 TIP3 1814 30.110 50.884 16.888 1.00 0.00 WT3 O ATOM 38309 H1 TIP3 1814 30.893 50.539 16.459 1.00 0.00 WT3 H ATOM 38310 H2 TIP3 1814 29.413 50.277 16.640 1.00 0.00 WT3 H ATOM 38311 OH2 TIP3 1815 20.332 73.210 20.207 1.00 0.00 WT3 O ATOM 38312 H1 TIP3 1815 21.269 73.134 20.031 1.00 0.00 WT3 H ATOM 38313 H2 TIP3 1815 20.236 72.936 21.119 1.00 0.00 WT3 H ATOM 38314 OH2 TIP3 1816 49.068 0.158 56.916 1.00 0.00 WT3 O ATOM 38315 H1 TIP3 1816 48.429 0.773 57.279 1.00 0.00 WT3 H ATOM 38316 H2 TIP3 1816 49.137 0.401 55.993 1.00 0.00 WT3 H ATOM 38317 OH2 TIP3 1817 50.288 12.330 61.206 1.00 0.00 WT3 O ATOM 38318 H1 TIP3 1817 50.265 11.410 61.471 1.00 0.00 WT3 H ATOM 38319 H2 TIP3 1817 49.377 12.617 61.254 1.00 0.00 WT3 H ATOM 38320 OH2 TIP3 1818 87.833 30.730 37.257 1.00 0.00 WT3 O ATOM 38321 H1 TIP3 1818 87.058 30.257 37.557 1.00 0.00 WT3 H ATOM 38322 H2 TIP3 1818 88.031 30.349 36.401 1.00 0.00 WT3 H ATOM 38323 OH2 TIP3 1819 53.221 78.517 -11.432 1.00 0.00 WT3 O ATOM 38324 H1 TIP3 1819 53.251 79.220 -10.783 1.00 0.00 WT3 H ATOM 38325 H2 TIP3 1819 53.310 77.713 -10.920 1.00 0.00 WT3 H ATOM 38326 OH2 TIP3 1820 31.019 62.875 35.775 1.00 0.00 WT3 O ATOM 38327 H1 TIP3 1820 30.188 62.680 36.208 1.00 0.00 WT3 H ATOM 38328 H2 TIP3 1820 31.609 62.179 36.065 1.00 0.00 WT3 H ATOM 38329 OH2 TIP3 1821 49.093 82.910 2.532 1.00 0.00 WT3 O ATOM 38330 H1 TIP3 1821 49.562 83.038 3.356 1.00 0.00 WT3 H ATOM 38331 H2 TIP3 1821 48.978 81.962 2.465 1.00 0.00 WT3 H ATOM 38332 OH2 TIP3 1824 33.303 86.057 28.014 1.00 0.00 WT3 O ATOM 38333 H1 TIP3 1824 33.290 86.021 28.970 1.00 0.00 WT3 H ATOM 38334 H2 TIP3 1824 34.227 86.171 27.791 1.00 0.00 WT3 H ATOM 38335 OH2 TIP3 1825 51.363 49.606 51.827 1.00 0.00 WT3 O ATOM 38336 H1 TIP3 1825 51.265 49.516 50.879 1.00 0.00 WT3 H ATOM 38337 H2 TIP3 1825 52.106 49.044 52.046 1.00 0.00 WT3 H ATOM 38338 OH2 TIP3 1828 62.486 51.296 14.601 1.00 0.00 WT3 O ATOM 38339 H1 TIP3 1828 62.147 52.064 15.061 1.00 0.00 WT3 H ATOM 38340 H2 TIP3 1828 61.793 50.641 14.686 1.00 0.00 WT3 H ATOM 38341 OH2 TIP3 1829 44.576 78.927 -16.050 1.00 0.00 WT3 O ATOM 38342 H1 TIP3 1829 44.643 79.294 -16.932 1.00 0.00 WT3 H ATOM 38343 H2 TIP3 1829 44.410 77.995 -16.190 1.00 0.00 WT3 H ATOM 38344 OH2 TIP3 1830 50.774 30.402 -0.296 1.00 0.00 WT3 O ATOM 38345 H1 TIP3 1830 50.993 29.918 0.500 1.00 0.00 WT3 H ATOM 38346 H2 TIP3 1830 50.157 31.074 -0.007 1.00 0.00 WT3 H ATOM 38347 OH2 TIP3 1831 36.828 43.459 9.360 1.00 0.00 WT3 O ATOM 38348 H1 TIP3 1831 37.525 43.564 10.008 1.00 0.00 WT3 H ATOM 38349 H2 TIP3 1831 36.056 43.224 9.875 1.00 0.00 WT3 H ATOM 38350 OH2 TIP3 1832 84.696 3.290 7.208 1.00 0.00 WT3 O ATOM 38351 H1 TIP3 1832 83.898 3.819 7.175 1.00 0.00 WT3 H ATOM 38352 H2 TIP3 1832 84.427 2.431 6.883 1.00 0.00 WT3 H ATOM 38353 OH2 TIP3 1833 66.142 9.907 45.984 1.00 0.00 WT3 O ATOM 38354 H1 TIP3 1833 66.281 8.978 46.171 1.00 0.00 WT3 H ATOM 38355 H2 TIP3 1833 65.764 9.921 45.105 1.00 0.00 WT3 H ATOM 38356 OH2 TIP3 1835 76.427 56.475 63.656 1.00 0.00 WT3 O ATOM 38357 H1 TIP3 1835 75.721 57.118 63.722 1.00 0.00 WT3 H ATOM 38358 H2 TIP3 1835 76.825 56.466 64.526 1.00 0.00 WT3 H ATOM 38359 OH2 TIP3 1836 26.639 94.253 55.945 1.00 0.00 WT3 O ATOM 38360 H1 TIP3 1836 27.263 93.972 55.276 1.00 0.00 WT3 H ATOM 38361 H2 TIP3 1836 27.127 94.876 56.483 1.00 0.00 WT3 H ATOM 38362 OH2 TIP3 1837 38.977 2.371 58.923 1.00 0.00 WT3 O ATOM 38363 H1 TIP3 1837 38.119 2.691 59.201 1.00 0.00 WT3 H ATOM 38364 H2 TIP3 1837 39.051 1.504 59.322 1.00 0.00 WT3 H ATOM 38365 OH2 TIP3 1838 77.146 23.841 61.071 1.00 0.00 WT3 O ATOM 38366 H1 TIP3 1838 78.067 23.594 61.157 1.00 0.00 WT3 H ATOM 38367 H2 TIP3 1838 76.797 23.781 61.960 1.00 0.00 WT3 H ATOM 38368 OH2 TIP3 1839 25.073 71.195 21.152 1.00 0.00 WT3 O ATOM 38369 H1 TIP3 1839 24.254 71.288 20.666 1.00 0.00 WT3 H ATOM 38370 H2 TIP3 1839 24.999 70.345 21.587 1.00 0.00 WT3 H ATOM 38371 OH2 TIP3 1840 65.565 81.311 16.203 1.00 0.00 WT3 O ATOM 38372 H1 TIP3 1840 65.919 80.723 16.870 1.00 0.00 WT3 H ATOM 38373 H2 TIP3 1840 66.240 81.981 16.090 1.00 0.00 WT3 H ATOM 38374 OH2 TIP3 1841 20.384 92.140 62.948 1.00 0.00 WT3 O ATOM 38375 H1 TIP3 1841 20.279 93.067 63.165 1.00 0.00 WT3 H ATOM 38376 H2 TIP3 1841 21.165 91.868 63.430 1.00 0.00 WT3 H ATOM 38377 OH2 TIP3 1842 72.438 93.790 14.757 1.00 0.00 WT3 O ATOM 38378 H1 TIP3 1842 72.259 93.772 15.697 1.00 0.00 WT3 H ATOM 38379 H2 TIP3 1842 72.810 94.658 14.600 1.00 0.00 WT3 H ATOM 38380 OH2 TIP3 1843 44.696 34.533 36.625 1.00 0.00 WT3 O ATOM 38381 H1 TIP3 1843 45.594 34.276 36.833 1.00 0.00 WT3 H ATOM 38382 H2 TIP3 1843 44.744 35.479 36.484 1.00 0.00 WT3 H ATOM 38383 OH2 TIP3 1844 47.218 67.014 33.572 1.00 0.00 WT3 O ATOM 38384 H1 TIP3 1844 47.593 66.359 34.161 1.00 0.00 WT3 H ATOM 38385 H2 TIP3 1844 47.920 67.652 33.445 1.00 0.00 WT3 H ATOM 38386 OH2 TIP3 1845 75.332 43.105 26.301 1.00 0.00 WT3 O ATOM 38387 H1 TIP3 1845 75.720 43.858 25.855 1.00 0.00 WT3 H ATOM 38388 H2 TIP3 1845 74.719 43.488 26.929 1.00 0.00 WT3 H ATOM 38389 OH2 TIP3 1846 65.317 51.406 -18.480 1.00 0.00 WT3 O ATOM 38390 H1 TIP3 1846 65.753 52.000 -19.091 1.00 0.00 WT3 H ATOM 38391 H2 TIP3 1846 64.429 51.316 -18.825 1.00 0.00 WT3 H ATOM 38392 OH2 TIP3 1847 75.966 23.626 -9.638 1.00 0.00 WT3 O ATOM 38393 H1 TIP3 1847 76.377 22.894 -9.178 1.00 0.00 WT3 H ATOM 38394 H2 TIP3 1847 75.033 23.413 -9.643 1.00 0.00 WT3 H ATOM 38395 OH2 TIP3 1848 48.094 86.837 -3.863 1.00 0.00 WT3 O ATOM 38396 H1 TIP3 1848 48.051 85.894 -4.026 1.00 0.00 WT3 H ATOM 38397 H2 TIP3 1848 47.708 87.234 -4.643 1.00 0.00 WT3 H ATOM 38398 OH2 TIP3 1850 47.072 29.564 -2.807 1.00 0.00 WT3 O ATOM 38399 H1 TIP3 1850 47.033 30.520 -2.783 1.00 0.00 WT3 H ATOM 38400 H2 TIP3 1850 46.800 29.291 -1.931 1.00 0.00 WT3 H ATOM 38401 OH2 TIP3 1851 52.886 80.105 31.761 1.00 0.00 WT3 O ATOM 38402 H1 TIP3 1851 52.466 80.005 32.615 1.00 0.00 WT3 H ATOM 38403 H2 TIP3 1851 52.476 79.436 31.212 1.00 0.00 WT3 H ATOM 38404 OH2 TIP3 1852 79.161 90.825 21.927 1.00 0.00 WT3 O ATOM 38405 H1 TIP3 1852 79.717 91.584 22.104 1.00 0.00 WT3 H ATOM 38406 H2 TIP3 1852 78.630 90.727 22.717 1.00 0.00 WT3 H ATOM 38407 OH2 TIP3 1853 73.938 45.295 28.096 1.00 0.00 WT3 O ATOM 38408 H1 TIP3 1853 73.102 44.837 28.012 1.00 0.00 WT3 H ATOM 38409 H2 TIP3 1853 73.978 45.865 27.328 1.00 0.00 WT3 H ATOM 38410 OH2 TIP3 1854 21.468 96.107 -19.821 1.00 0.00 WT3 O ATOM 38411 H1 TIP3 1854 21.386 96.830 -19.199 1.00 0.00 WT3 H ATOM 38412 H2 TIP3 1854 22.208 95.594 -19.496 1.00 0.00 WT3 H ATOM 38413 OH2 TIP3 1856 86.673 62.773 5.205 1.00 0.00 WT3 O ATOM 38414 H1 TIP3 1856 86.035 62.118 5.489 1.00 0.00 WT3 H ATOM 38415 H2 TIP3 1856 87.497 62.291 5.137 1.00 0.00 WT3 H ATOM 38416 OH2 TIP3 1857 31.714 81.089 34.079 1.00 0.00 WT3 O ATOM 38417 H1 TIP3 1857 31.461 81.231 34.991 1.00 0.00 WT3 H ATOM 38418 H2 TIP3 1857 31.185 80.343 33.797 1.00 0.00 WT3 H ATOM 38419 OH2 TIP3 1858 23.814 8.554 -8.121 1.00 0.00 WT3 O ATOM 38420 H1 TIP3 1858 23.167 9.257 -8.073 1.00 0.00 WT3 H ATOM 38421 H2 TIP3 1858 24.326 8.752 -8.905 1.00 0.00 WT3 H ATOM 38422 OH2 TIP3 1859 56.099 56.507 -2.831 1.00 0.00 WT3 O ATOM 38423 H1 TIP3 1859 55.965 57.326 -2.354 1.00 0.00 WT3 H ATOM 38424 H2 TIP3 1859 56.382 55.883 -2.162 1.00 0.00 WT3 H ATOM 38425 OH2 TIP3 1860 81.822 64.479 -15.050 1.00 0.00 WT3 O ATOM 38426 H1 TIP3 1860 82.448 64.015 -14.495 1.00 0.00 WT3 H ATOM 38427 H2 TIP3 1860 82.232 65.327 -15.217 1.00 0.00 WT3 H ATOM 38428 OH2 TIP3 1861 40.847 6.764 7.219 1.00 0.00 WT3 O ATOM 38429 H1 TIP3 1861 40.008 6.470 7.574 1.00 0.00 WT3 H ATOM 38430 H2 TIP3 1861 40.670 7.641 6.878 1.00 0.00 WT3 H ATOM 38431 OH2 TIP3 1863 34.495 60.014 2.441 1.00 0.00 WT3 O ATOM 38432 H1 TIP3 1863 34.130 60.837 2.115 1.00 0.00 WT3 H ATOM 38433 H2 TIP3 1863 34.468 60.100 3.394 1.00 0.00 WT3 H ATOM 38434 OH2 TIP3 1864 44.714 64.715 -9.191 1.00 0.00 WT3 O ATOM 38435 H1 TIP3 1864 44.766 64.684 -8.236 1.00 0.00 WT3 H ATOM 38436 H2 TIP3 1864 43.829 64.413 -9.393 1.00 0.00 WT3 H ATOM 38437 OH2 TIP3 1866 53.718 68.727 51.033 1.00 0.00 WT3 O ATOM 38438 H1 TIP3 1866 54.048 69.431 51.591 1.00 0.00 WT3 H ATOM 38439 H2 TIP3 1866 53.480 69.161 50.214 1.00 0.00 WT3 H ATOM 38440 OH2 TIP3 1869 79.682 84.724 4.627 1.00 0.00 WT3 O ATOM 38441 H1 TIP3 1869 80.192 85.307 5.188 1.00 0.00 WT3 H ATOM 38442 H2 TIP3 1869 79.957 83.843 4.883 1.00 0.00 WT3 H ATOM 38443 OH2 TIP3 1870 76.632 65.177 33.104 1.00 0.00 WT3 O ATOM 38444 H1 TIP3 1870 77.525 65.406 32.849 1.00 0.00 WT3 H ATOM 38445 H2 TIP3 1870 76.415 64.417 32.564 1.00 0.00 WT3 H ATOM 38446 OH2 TIP3 1871 23.931 61.425 36.470 1.00 0.00 WT3 O ATOM 38447 H1 TIP3 1871 24.418 60.684 36.110 1.00 0.00 WT3 H ATOM 38448 H2 TIP3 1871 24.089 62.139 35.853 1.00 0.00 WT3 H ATOM 38449 OH2 TIP3 1872 75.537 48.153 16.625 1.00 0.00 WT3 O ATOM 38450 H1 TIP3 1872 75.096 48.856 16.146 1.00 0.00 WT3 H ATOM 38451 H2 TIP3 1872 75.361 48.344 17.546 1.00 0.00 WT3 H ATOM 38452 OH2 TIP3 1873 77.659 94.549 61.244 1.00 0.00 WT3 O ATOM 38453 H1 TIP3 1873 78.027 94.192 62.053 1.00 0.00 WT3 H ATOM 38454 H2 TIP3 1873 78.122 95.377 61.115 1.00 0.00 WT3 H ATOM 38455 OH2 TIP3 1874 22.308 68.190 -8.838 1.00 0.00 WT3 O ATOM 38456 H1 TIP3 1874 22.132 68.456 -9.741 1.00 0.00 WT3 H ATOM 38457 H2 TIP3 1874 22.942 67.477 -8.918 1.00 0.00 WT3 H ATOM 38458 OH2 TIP3 1875 42.519 72.557 -6.231 1.00 0.00 WT3 O ATOM 38459 H1 TIP3 1875 41.772 71.970 -6.116 1.00 0.00 WT3 H ATOM 38460 H2 TIP3 1875 43.267 72.062 -5.896 1.00 0.00 WT3 H ATOM 38461 OH2 TIP3 1876 33.758 16.244 -6.309 1.00 0.00 WT3 O ATOM 38462 H1 TIP3 1876 33.479 15.425 -6.718 1.00 0.00 WT3 H ATOM 38463 H2 TIP3 1876 33.350 16.928 -6.839 1.00 0.00 WT3 H ATOM 38464 OH2 TIP3 1878 77.802 88.417 61.599 1.00 0.00 WT3 O ATOM 38465 H1 TIP3 1878 77.574 89.041 62.288 1.00 0.00 WT3 H ATOM 38466 H2 TIP3 1878 77.230 87.666 61.757 1.00 0.00 WT3 H ATOM 38467 OH2 TIP3 1879 40.792 71.395 -16.961 1.00 0.00 WT3 O ATOM 38468 H1 TIP3 1879 41.112 70.867 -16.230 1.00 0.00 WT3 H ATOM 38469 H2 TIP3 1879 39.906 71.070 -17.122 1.00 0.00 WT3 H ATOM 38470 OH2 TIP3 1880 62.829 88.439 6.963 1.00 0.00 WT3 O ATOM 38471 H1 TIP3 1880 62.437 87.624 6.648 1.00 0.00 WT3 H ATOM 38472 H2 TIP3 1880 62.167 89.107 6.785 1.00 0.00 WT3 H ATOM 38473 OH2 TIP3 1881 32.065 54.816 -15.953 1.00 0.00 WT3 O ATOM 38474 H1 TIP3 1881 31.579 55.520 -16.382 1.00 0.00 WT3 H ATOM 38475 H2 TIP3 1881 32.972 55.124 -15.939 1.00 0.00 WT3 H ATOM 38476 OH2 TIP3 1882 49.419 68.454 32.942 1.00 0.00 WT3 O ATOM 38477 H1 TIP3 1882 49.681 68.313 32.032 1.00 0.00 WT3 H ATOM 38478 H2 TIP3 1882 50.061 67.965 33.456 1.00 0.00 WT3 H ATOM 38479 OH2 TIP3 1883 82.328 32.233 48.340 1.00 0.00 WT3 O ATOM 38480 H1 TIP3 1883 82.840 32.215 49.148 1.00 0.00 WT3 H ATOM 38481 H2 TIP3 1883 82.872 31.774 47.701 1.00 0.00 WT3 H ATOM 38482 OH2 TIP3 1885 50.122 86.580 41.002 1.00 0.00 WT3 O ATOM 38483 H1 TIP3 1885 49.973 86.000 41.748 1.00 0.00 WT3 H ATOM 38484 H2 TIP3 1885 51.074 86.603 40.901 1.00 0.00 WT3 H ATOM 38485 OH2 TIP3 1886 40.954 14.574 60.676 1.00 0.00 WT3 O ATOM 38486 H1 TIP3 1886 40.236 15.153 60.421 1.00 0.00 WT3 H ATOM 38487 H2 TIP3 1886 41.170 14.093 59.877 1.00 0.00 WT3 H ATOM 38488 OH2 TIP3 1887 89.921 70.790 -8.231 1.00 0.00 WT3 O ATOM 38489 H1 TIP3 1887 89.177 71.173 -7.766 1.00 0.00 WT3 H ATOM 38490 H2 TIP3 1887 90.517 70.506 -7.538 1.00 0.00 WT3 H ATOM 38491 OH2 TIP3 1888 58.728 94.178 47.194 1.00 0.00 WT3 O ATOM 38492 H1 TIP3 1888 58.330 95.024 46.991 1.00 0.00 WT3 H ATOM 38493 H2 TIP3 1888 57.996 93.630 47.477 1.00 0.00 WT3 H ATOM 38494 OH2 TIP3 1889 37.759 65.089 47.603 1.00 0.00 WT3 O ATOM 38495 H1 TIP3 1889 38.391 64.737 48.231 1.00 0.00 WT3 H ATOM 38496 H2 TIP3 1889 38.273 65.254 46.813 1.00 0.00 WT3 H ATOM 38497 OH2 TIP3 1890 73.949 57.719 15.173 1.00 0.00 WT3 O ATOM 38498 H1 TIP3 1890 74.274 58.080 15.997 1.00 0.00 WT3 H ATOM 38499 H2 TIP3 1890 74.108 56.778 15.243 1.00 0.00 WT3 H ATOM 38500 OH2 TIP3 1891 25.745 31.107 -13.970 1.00 0.00 WT3 O ATOM 38501 H1 TIP3 1891 25.971 30.989 -14.893 1.00 0.00 WT3 H ATOM 38502 H2 TIP3 1891 26.249 30.435 -13.512 1.00 0.00 WT3 H ATOM 38503 OH2 TIP3 1893 47.931 6.214 32.678 1.00 0.00 WT3 O ATOM 38504 H1 TIP3 1893 47.672 5.579 33.346 1.00 0.00 WT3 H ATOM 38505 H2 TIP3 1893 48.239 6.972 33.174 1.00 0.00 WT3 H ATOM 38506 OH2 TIP3 1894 89.630 87.199 -6.392 1.00 0.00 WT3 O ATOM 38507 H1 TIP3 1894 90.253 87.912 -6.528 1.00 0.00 WT3 H ATOM 38508 H2 TIP3 1894 90.177 86.424 -6.261 1.00 0.00 WT3 H ATOM 38509 OH2 TIP3 1895 45.897 18.719 51.320 1.00 0.00 WT3 O ATOM 38510 H1 TIP3 1895 45.562 19.474 51.805 1.00 0.00 WT3 H ATOM 38511 H2 TIP3 1895 45.995 18.034 51.981 1.00 0.00 WT3 H ATOM 38512 OH2 TIP3 1896 75.722 65.954 66.483 1.00 0.00 WT3 O ATOM 38513 H1 TIP3 1896 74.768 65.962 66.558 1.00 0.00 WT3 H ATOM 38514 H2 TIP3 1896 75.898 65.420 65.708 1.00 0.00 WT3 H ATOM 38515 OH2 TIP3 1897 36.172 74.683 15.394 1.00 0.00 WT3 O ATOM 38516 H1 TIP3 1897 36.938 74.396 15.892 1.00 0.00 WT3 H ATOM 38517 H2 TIP3 1897 35.525 73.992 15.530 1.00 0.00 WT3 H ATOM 38518 OH2 TIP3 1898 84.651 68.470 27.633 1.00 0.00 WT3 O ATOM 38519 H1 TIP3 1898 83.753 68.246 27.390 1.00 0.00 WT3 H ATOM 38520 H2 TIP3 1898 84.578 68.833 28.515 1.00 0.00 WT3 H ATOM 38521 OH2 TIP3 1899 31.558 73.086 -0.573 1.00 0.00 WT3 O ATOM 38522 H1 TIP3 1899 31.792 72.870 0.330 1.00 0.00 WT3 H ATOM 38523 H2 TIP3 1899 32.390 73.311 -0.989 1.00 0.00 WT3 H ATOM 38524 OH2 TIP3 1900 53.951 61.267 54.102 1.00 0.00 WT3 O ATOM 38525 H1 TIP3 1900 53.169 60.717 54.146 1.00 0.00 WT3 H ATOM 38526 H2 TIP3 1900 53.631 62.115 53.793 1.00 0.00 WT3 H ATOM 38527 OH2 TIP3 1901 27.125 85.018 60.759 1.00 0.00 WT3 O ATOM 38528 H1 TIP3 1901 27.905 84.744 61.241 1.00 0.00 WT3 H ATOM 38529 H2 TIP3 1901 26.755 85.727 61.286 1.00 0.00 WT3 H ATOM 38530 OH2 TIP3 1902 29.120 63.444 25.739 1.00 0.00 WT3 O ATOM 38531 H1 TIP3 1902 28.218 63.676 25.958 1.00 0.00 WT3 H ATOM 38532 H2 TIP3 1902 29.132 62.487 25.753 1.00 0.00 WT3 H ATOM 38533 OH2 TIP3 1903 50.465 24.928 20.185 1.00 0.00 WT3 O ATOM 38534 H1 TIP3 1903 50.296 25.352 19.344 1.00 0.00 WT3 H ATOM 38535 H2 TIP3 1903 51.063 25.523 20.638 1.00 0.00 WT3 H ATOM 38536 OH2 TIP3 1904 66.277 54.883 -11.341 1.00 0.00 WT3 O ATOM 38537 H1 TIP3 1904 65.426 55.037 -10.931 1.00 0.00 WT3 H ATOM 38538 H2 TIP3 1904 66.499 55.717 -11.755 1.00 0.00 WT3 H ATOM 38539 OH2 TIP3 1905 23.530 94.070 38.976 1.00 0.00 WT3 O ATOM 38540 H1 TIP3 1905 24.007 93.674 38.247 1.00 0.00 WT3 H ATOM 38541 H2 TIP3 1905 22.647 94.214 38.636 1.00 0.00 WT3 H ATOM 38542 OH2 TIP3 1906 34.974 80.178 -6.743 1.00 0.00 WT3 O ATOM 38543 H1 TIP3 1906 34.572 79.488 -6.215 1.00 0.00 WT3 H ATOM 38544 H2 TIP3 1906 35.764 80.420 -6.260 1.00 0.00 WT3 H ATOM 38545 OH2 TIP3 1907 88.561 88.098 9.525 1.00 0.00 WT3 O ATOM 38546 H1 TIP3 1907 89.106 88.377 10.260 1.00 0.00 WT3 H ATOM 38547 H2 TIP3 1907 89.094 88.276 8.750 1.00 0.00 WT3 H ATOM 38548 OH2 TIP3 1908 35.421 22.174 19.883 1.00 0.00 WT3 O ATOM 38549 H1 TIP3 1908 35.664 22.117 18.959 1.00 0.00 WT3 H ATOM 38550 H2 TIP3 1908 36.170 21.805 20.351 1.00 0.00 WT3 H ATOM 38551 OH2 TIP3 1909 64.867 86.864 -12.384 1.00 0.00 WT3 O ATOM 38552 H1 TIP3 1909 65.029 86.153 -11.763 1.00 0.00 WT3 H ATOM 38553 H2 TIP3 1909 63.945 86.769 -12.621 1.00 0.00 WT3 H ATOM 38554 OH2 TIP3 1911 75.419 29.882 -11.604 1.00 0.00 WT3 O ATOM 38555 H1 TIP3 1911 76.250 29.930 -11.132 1.00 0.00 WT3 H ATOM 38556 H2 TIP3 1911 74.839 29.392 -11.021 1.00 0.00 WT3 H ATOM 38557 OH2 TIP3 1912 58.557 92.599 13.914 1.00 0.00 WT3 O ATOM 38558 H1 TIP3 1912 57.972 93.090 14.490 1.00 0.00 WT3 H ATOM 38559 H2 TIP3 1912 59.434 92.775 14.256 1.00 0.00 WT3 H ATOM 38560 OH2 TIP3 1914 85.705 59.832 -7.100 1.00 0.00 WT3 O ATOM 38561 H1 TIP3 1914 84.909 59.661 -6.598 1.00 0.00 WT3 H ATOM 38562 H2 TIP3 1914 86.412 59.486 -6.555 1.00 0.00 WT3 H ATOM 38563 OH2 TIP3 1915 52.589 9.268 63.085 1.00 0.00 WT3 O ATOM 38564 H1 TIP3 1915 51.768 9.715 62.882 1.00 0.00 WT3 H ATOM 38565 H2 TIP3 1915 52.873 9.652 63.914 1.00 0.00 WT3 H ATOM 38566 OH2 TIP3 1917 49.978 20.051 36.801 1.00 0.00 WT3 O ATOM 38567 H1 TIP3 1917 50.348 19.308 36.325 1.00 0.00 WT3 H ATOM 38568 H2 TIP3 1917 49.242 20.340 36.261 1.00 0.00 WT3 H ATOM 38569 OH2 TIP3 1919 88.375 39.869 40.661 1.00 0.00 WT3 O ATOM 38570 H1 TIP3 1919 87.530 40.307 40.564 1.00 0.00 WT3 H ATOM 38571 H2 TIP3 1919 88.336 39.461 41.526 1.00 0.00 WT3 H ATOM 38572 OH2 TIP3 1920 23.722 74.734 -12.155 1.00 0.00 WT3 O ATOM 38573 H1 TIP3 1920 24.071 75.624 -12.214 1.00 0.00 WT3 H ATOM 38574 H2 TIP3 1920 24.368 74.257 -11.635 1.00 0.00 WT3 H ATOM 38575 OH2 TIP3 1921 22.084 71.375 30.147 1.00 0.00 WT3 O ATOM 38576 H1 TIP3 1921 21.858 71.786 29.312 1.00 0.00 WT3 H ATOM 38577 H2 TIP3 1921 22.776 71.928 30.508 1.00 0.00 WT3 H ATOM 38578 OH2 TIP3 1922 25.976 69.174 40.512 1.00 0.00 WT3 O ATOM 38579 H1 TIP3 1922 26.367 68.307 40.619 1.00 0.00 WT3 H ATOM 38580 H2 TIP3 1922 26.253 69.660 41.289 1.00 0.00 WT3 H ATOM 38581 OH2 TIP3 1923 48.855 53.338 47.629 1.00 0.00 WT3 O ATOM 38582 H1 TIP3 1923 49.494 52.827 47.133 1.00 0.00 WT3 H ATOM 38583 H2 TIP3 1923 48.998 54.241 47.346 1.00 0.00 WT3 H ATOM 38584 OH2 TIP3 1925 24.809 55.775 4.294 1.00 0.00 WT3 O ATOM 38585 H1 TIP3 1925 25.754 55.627 4.336 1.00 0.00 WT3 H ATOM 38586 H2 TIP3 1925 24.608 56.270 5.088 1.00 0.00 WT3 H ATOM 38587 OH2 TIP3 1926 89.530 57.097 58.606 1.00 0.00 WT3 O ATOM 38588 H1 TIP3 1926 89.907 57.881 58.207 1.00 0.00 WT3 H ATOM 38589 H2 TIP3 1926 88.802 57.423 59.134 1.00 0.00 WT3 H ATOM 38590 OH2 TIP3 1927 90.833 29.783 43.543 1.00 0.00 WT3 O ATOM 38591 H1 TIP3 1927 90.655 30.164 42.683 1.00 0.00 WT3 H ATOM 38592 H2 TIP3 1927 90.061 29.999 44.066 1.00 0.00 WT3 H ATOM 38593 OH2 TIP3 1928 74.817 72.594 -1.866 1.00 0.00 WT3 O ATOM 38594 H1 TIP3 1928 75.023 72.519 -2.798 1.00 0.00 WT3 H ATOM 38595 H2 TIP3 1928 74.430 71.749 -1.637 1.00 0.00 WT3 H ATOM 38596 OH2 TIP3 1929 74.427 82.680 22.229 1.00 0.00 WT3 O ATOM 38597 H1 TIP3 1929 74.879 83.046 21.468 1.00 0.00 WT3 H ATOM 38598 H2 TIP3 1929 74.671 81.754 22.230 1.00 0.00 WT3 H ATOM 38599 OH2 TIP3 1930 28.611 95.829 57.024 1.00 0.00 WT3 O ATOM 38600 H1 TIP3 1930 28.678 95.793 57.978 1.00 0.00 WT3 H ATOM 38601 H2 TIP3 1930 28.338 96.727 56.836 1.00 0.00 WT3 H ATOM 38602 OH2 TIP3 1931 27.998 66.012 65.087 1.00 0.00 WT3 O ATOM 38603 H1 TIP3 1931 27.934 66.626 64.355 1.00 0.00 WT3 H ATOM 38604 H2 TIP3 1931 28.790 65.506 64.906 1.00 0.00 WT3 H ATOM 38605 OH2 TIP3 1932 59.931 49.117 -4.756 1.00 0.00 WT3 O ATOM 38606 H1 TIP3 1932 59.012 48.992 -4.522 1.00 0.00 WT3 H ATOM 38607 H2 TIP3 1932 60.086 50.053 -4.630 1.00 0.00 WT3 H ATOM 38608 OH2 TIP3 1935 75.823 28.923 -14.481 1.00 0.00 WT3 O ATOM 38609 H1 TIP3 1935 75.117 29.068 -15.111 1.00 0.00 WT3 H ATOM 38610 H2 TIP3 1935 75.461 29.211 -13.643 1.00 0.00 WT3 H ATOM 38611 OH2 TIP3 1936 79.603 80.325 -11.800 1.00 0.00 WT3 O ATOM 38612 H1 TIP3 1936 79.145 81.146 -11.975 1.00 0.00 WT3 H ATOM 38613 H2 TIP3 1936 78.969 79.793 -11.319 1.00 0.00 WT3 H ATOM 38614 OH2 TIP3 1937 38.860 95.278 45.064 1.00 0.00 WT3 O ATOM 38615 H1 TIP3 1937 39.643 94.900 44.665 1.00 0.00 WT3 H ATOM 38616 H2 TIP3 1937 39.067 96.207 45.166 1.00 0.00 WT3 H ATOM 38617 OH2 TIP3 1938 27.480 80.771 57.730 1.00 0.00 WT3 O ATOM 38618 H1 TIP3 1938 27.843 81.480 58.261 1.00 0.00 WT3 H ATOM 38619 H2 TIP3 1938 28.149 80.602 57.066 1.00 0.00 WT3 H ATOM 38620 OH2 TIP3 1940 53.608 4.616 54.628 1.00 0.00 WT3 O ATOM 38621 H1 TIP3 1940 52.705 4.791 54.893 1.00 0.00 WT3 H ATOM 38622 H2 TIP3 1940 53.531 4.216 53.762 1.00 0.00 WT3 H ATOM 38623 OH2 TIP3 1941 31.532 42.250 -16.047 1.00 0.00 WT3 O ATOM 38624 H1 TIP3 1941 31.575 41.859 -15.174 1.00 0.00 WT3 H ATOM 38625 H2 TIP3 1941 31.347 43.175 -15.887 1.00 0.00 WT3 H ATOM 38626 OH2 TIP3 1943 34.218 38.353 19.510 1.00 0.00 WT3 O ATOM 38627 H1 TIP3 1943 34.463 39.081 18.940 1.00 0.00 WT3 H ATOM 38628 H2 TIP3 1943 33.604 38.735 20.137 1.00 0.00 WT3 H ATOM 38629 OH2 TIP3 1944 87.656 94.239 9.890 1.00 0.00 WT3 O ATOM 38630 H1 TIP3 1944 87.515 93.305 9.735 1.00 0.00 WT3 H ATOM 38631 H2 TIP3 1944 87.352 94.382 10.786 1.00 0.00 WT3 H ATOM 38632 OH2 TIP3 1945 31.761 76.713 12.218 1.00 0.00 WT3 O ATOM 38633 H1 TIP3 1945 30.818 76.789 12.069 1.00 0.00 WT3 H ATOM 38634 H2 TIP3 1945 32.039 77.597 12.454 1.00 0.00 WT3 H ATOM 38635 OH2 TIP3 1947 31.668 42.649 45.875 1.00 0.00 WT3 O ATOM 38636 H1 TIP3 1947 32.158 43.201 46.485 1.00 0.00 WT3 H ATOM 38637 H2 TIP3 1947 31.640 41.791 46.297 1.00 0.00 WT3 H ATOM 38638 OH2 TIP3 1948 60.038 87.187 24.796 1.00 0.00 WT3 O ATOM 38639 H1 TIP3 1948 59.996 86.367 25.289 1.00 0.00 WT3 H ATOM 38640 H2 TIP3 1948 59.383 87.087 24.106 1.00 0.00 WT3 H ATOM 38641 OH2 TIP3 1949 23.439 54.290 19.236 1.00 0.00 WT3 O ATOM 38642 H1 TIP3 1949 24.322 53.922 19.197 1.00 0.00 WT3 H ATOM 38643 H2 TIP3 1949 23.336 54.757 18.407 1.00 0.00 WT3 H ATOM 38644 OH2 TIP3 1950 25.789 82.031 54.719 1.00 0.00 WT3 O ATOM 38645 H1 TIP3 1950 25.956 82.301 55.622 1.00 0.00 WT3 H ATOM 38646 H2 TIP3 1950 24.835 81.971 54.659 1.00 0.00 WT3 H ATOM 38647 OH2 TIP3 1951 87.891 83.282 58.890 1.00 0.00 WT3 O ATOM 38648 H1 TIP3 1951 88.435 82.651 58.420 1.00 0.00 WT3 H ATOM 38649 H2 TIP3 1951 88.252 83.297 59.777 1.00 0.00 WT3 H ATOM 38650 OH2 TIP3 1952 21.890 78.309 -4.609 1.00 0.00 WT3 O ATOM 38651 H1 TIP3 1952 21.731 77.390 -4.394 1.00 0.00 WT3 H ATOM 38652 H2 TIP3 1952 21.684 78.376 -5.541 1.00 0.00 WT3 H ATOM 38653 OH2 TIP3 1954 25.431 89.449 65.085 1.00 0.00 WT3 O ATOM 38654 H1 TIP3 1954 25.959 89.615 64.303 1.00 0.00 WT3 H ATOM 38655 H2 TIP3 1954 24.546 89.715 64.837 1.00 0.00 WT3 H ATOM 38656 OH2 TIP3 1955 65.655 89.778 62.314 1.00 0.00 WT3 O ATOM 38657 H1 TIP3 1955 64.818 89.794 61.850 1.00 0.00 WT3 H ATOM 38658 H2 TIP3 1955 65.517 89.164 63.036 1.00 0.00 WT3 H ATOM 38659 OH2 TIP3 1956 27.956 28.305 62.323 1.00 0.00 WT3 O ATOM 38660 H1 TIP3 1956 28.377 28.456 63.170 1.00 0.00 WT3 H ATOM 38661 H2 TIP3 1956 28.004 29.151 61.878 1.00 0.00 WT3 H ATOM 38662 OH2 TIP3 1957 27.199 90.628 51.783 1.00 0.00 WT3 O ATOM 38663 H1 TIP3 1957 28.050 90.225 51.609 1.00 0.00 WT3 H ATOM 38664 H2 TIP3 1957 26.765 90.650 50.930 1.00 0.00 WT3 H ATOM 38665 OH2 TIP3 1958 39.100 35.562 46.756 1.00 0.00 WT3 O ATOM 38666 H1 TIP3 1958 39.700 35.308 46.055 1.00 0.00 WT3 H ATOM 38667 H2 TIP3 1958 38.265 35.715 46.313 1.00 0.00 WT3 H ATOM 38668 OH2 TIP3 1960 64.843 80.725 -19.239 1.00 0.00 WT3 O ATOM 38669 H1 TIP3 1960 65.467 80.585 -18.526 1.00 0.00 WT3 H ATOM 38670 H2 TIP3 1960 64.205 81.342 -18.882 1.00 0.00 WT3 H ATOM 38671 OH2 TIP3 1961 66.707 16.538 25.357 1.00 0.00 WT3 O ATOM 38672 H1 TIP3 1961 66.173 16.160 26.056 1.00 0.00 WT3 H ATOM 38673 H2 TIP3 1961 67.112 17.309 25.755 1.00 0.00 WT3 H ATOM 38674 OH2 TIP3 1962 29.487 19.163 33.991 1.00 0.00 WT3 O ATOM 38675 H1 TIP3 1962 29.058 19.628 34.709 1.00 0.00 WT3 H ATOM 38676 H2 TIP3 1962 29.341 19.717 33.225 1.00 0.00 WT3 H ATOM 38677 OH2 TIP3 1965 65.523 9.745 6.129 1.00 0.00 WT3 O ATOM 38678 H1 TIP3 1965 65.168 10.525 6.555 1.00 0.00 WT3 H ATOM 38679 H2 TIP3 1965 66.347 9.575 6.587 1.00 0.00 WT3 H ATOM 38680 OH2 TIP3 1966 81.458 80.786 1.792 1.00 0.00 WT3 O ATOM 38681 H1 TIP3 1966 81.322 81.680 1.478 1.00 0.00 WT3 H ATOM 38682 H2 TIP3 1966 80.658 80.577 2.274 1.00 0.00 WT3 H ATOM 38683 OH2 TIP3 1967 86.634 81.916 26.675 1.00 0.00 WT3 O ATOM 38684 H1 TIP3 1967 86.678 81.193 26.048 1.00 0.00 WT3 H ATOM 38685 H2 TIP3 1967 85.719 81.934 26.956 1.00 0.00 WT3 H ATOM 38686 OH2 TIP3 1969 27.677 58.143 -1.150 1.00 0.00 WT3 O ATOM 38687 H1 TIP3 1969 28.443 58.002 -1.705 1.00 0.00 WT3 H ATOM 38688 H2 TIP3 1969 27.910 58.895 -0.605 1.00 0.00 WT3 H ATOM 38689 OH2 TIP3 1970 35.009 94.957 1.706 1.00 0.00 WT3 O ATOM 38690 H1 TIP3 1970 34.297 94.332 1.567 1.00 0.00 WT3 H ATOM 38691 H2 TIP3 1970 35.254 94.841 2.624 1.00 0.00 WT3 H ATOM 38692 OH2 TIP3 1971 61.468 55.642 31.965 1.00 0.00 WT3 O ATOM 38693 H1 TIP3 1971 61.331 55.797 32.899 1.00 0.00 WT3 H ATOM 38694 H2 TIP3 1971 60.640 55.270 31.660 1.00 0.00 WT3 H ATOM 38695 OH2 TIP3 1973 86.968 89.626 30.183 1.00 0.00 WT3 O ATOM 38696 H1 TIP3 1973 87.432 89.057 29.569 1.00 0.00 WT3 H ATOM 38697 H2 TIP3 1973 87.119 90.511 29.852 1.00 0.00 WT3 H ATOM 38698 OH2 TIP3 1974 22.209 75.602 -2.297 1.00 0.00 WT3 O ATOM 38699 H1 TIP3 1974 21.466 76.122 -1.990 1.00 0.00 WT3 H ATOM 38700 H2 TIP3 1974 22.940 75.882 -1.747 1.00 0.00 WT3 H ATOM 38701 OH2 TIP3 1977 23.876 19.224 -0.457 1.00 0.00 WT3 O ATOM 38702 H1 TIP3 1977 23.164 18.852 -0.977 1.00 0.00 WT3 H ATOM 38703 H2 TIP3 1977 23.529 20.057 -0.137 1.00 0.00 WT3 H ATOM 38704 OH2 TIP3 1982 62.236 15.746 37.239 1.00 0.00 WT3 O ATOM 38705 H1 TIP3 1982 62.779 14.970 37.102 1.00 0.00 WT3 H ATOM 38706 H2 TIP3 1982 61.401 15.531 36.823 1.00 0.00 WT3 H ATOM 38707 OH2 TIP3 1983 52.269 77.788 1.815 1.00 0.00 WT3 O ATOM 38708 H1 TIP3 1983 51.963 77.234 2.534 1.00 0.00 WT3 H ATOM 38709 H2 TIP3 1983 53.188 77.960 2.019 1.00 0.00 WT3 H ATOM 38710 OH2 TIP3 1987 21.488 61.846 -18.455 1.00 0.00 WT3 O ATOM 38711 H1 TIP3 1987 21.508 62.688 -18.909 1.00 0.00 WT3 H ATOM 38712 H2 TIP3 1987 20.665 61.443 -18.733 1.00 0.00 WT3 H ATOM 38713 OH2 TIP3 1988 36.815 95.450 34.290 1.00 0.00 WT3 O ATOM 38714 H1 TIP3 1988 36.938 94.617 33.835 1.00 0.00 WT3 H ATOM 38715 H2 TIP3 1988 37.136 96.109 33.675 1.00 0.00 WT3 H ATOM 38716 OH2 TIP3 1991 25.333 87.751 40.418 1.00 0.00 WT3 O ATOM 38717 H1 TIP3 1991 24.939 87.103 41.003 1.00 0.00 WT3 H ATOM 38718 H2 TIP3 1991 25.283 87.351 39.549 1.00 0.00 WT3 H ATOM 38719 OH2 TIP3 1993 69.500 0.749 -7.344 1.00 0.00 WT3 O ATOM 38720 H1 TIP3 1993 69.584 -0.158 -7.050 1.00 0.00 WT3 H ATOM 38721 H2 TIP3 1993 70.151 1.228 -6.832 1.00 0.00 WT3 H ATOM 38722 OH2 TIP3 1994 21.368 73.270 -1.680 1.00 0.00 WT3 O ATOM 38723 H1 TIP3 1994 20.925 72.722 -2.327 1.00 0.00 WT3 H ATOM 38724 H2 TIP3 1994 21.628 74.053 -2.166 1.00 0.00 WT3 H ATOM 38725 OH2 TIP3 1995 30.230 35.699 6.800 1.00 0.00 WT3 O ATOM 38726 H1 TIP3 1995 30.917 36.315 7.055 1.00 0.00 WT3 H ATOM 38727 H2 TIP3 1995 30.690 35.015 6.312 1.00 0.00 WT3 H ATOM 38728 OH2 TIP3 1997 67.983 27.967 42.664 1.00 0.00 WT3 O ATOM 38729 H1 TIP3 1997 67.451 28.756 42.557 1.00 0.00 WT3 H ATOM 38730 H2 TIP3 1997 67.351 27.248 42.652 1.00 0.00 WT3 H ATOM 38731 OH2 TIP3 2002 49.154 66.179 -8.491 1.00 0.00 WT3 O ATOM 38732 H1 TIP3 2002 49.650 66.914 -8.132 1.00 0.00 WT3 H ATOM 38733 H2 TIP3 2002 48.318 66.202 -8.024 1.00 0.00 WT3 H ATOM 38734 OH2 TIP3 2003 36.246 24.718 39.811 1.00 0.00 WT3 O ATOM 38735 H1 TIP3 2003 36.091 23.806 40.056 1.00 0.00 WT3 H ATOM 38736 H2 TIP3 2003 37.196 24.783 39.714 1.00 0.00 WT3 H ATOM 38737 OH2 TIP3 2008 68.139 68.209 28.016 1.00 0.00 WT3 O ATOM 38738 H1 TIP3 2008 69.001 67.811 27.893 1.00 0.00 WT3 H ATOM 38739 H2 TIP3 2008 67.710 68.119 27.165 1.00 0.00 WT3 H ATOM 38740 OH2 TIP3 2009 71.623 10.381 43.196 1.00 0.00 WT3 O ATOM 38741 H1 TIP3 2009 71.908 10.359 44.110 1.00 0.00 WT3 H ATOM 38742 H2 TIP3 2009 71.376 9.477 43.000 1.00 0.00 WT3 H ATOM 38743 OH2 TIP3 2012 83.886 6.423 47.143 1.00 0.00 WT3 O ATOM 38744 H1 TIP3 2012 84.452 6.141 46.424 1.00 0.00 WT3 H ATOM 38745 H2 TIP3 2012 84.491 6.664 47.844 1.00 0.00 WT3 H ATOM 38746 OH2 TIP3 2020 33.999 50.587 -19.027 1.00 0.00 WT3 O ATOM 38747 H1 TIP3 2020 34.587 50.650 -19.780 1.00 0.00 WT3 H ATOM 38748 H2 TIP3 2020 33.718 49.673 -19.017 1.00 0.00 WT3 H ATOM 38749 OH2 TIP3 2021 26.409 58.196 51.555 1.00 0.00 WT3 O ATOM 38750 H1 TIP3 2021 26.524 58.843 50.858 1.00 0.00 WT3 H ATOM 38751 H2 TIP3 2021 26.347 57.358 51.096 1.00 0.00 WT3 H ATOM 38752 OH2 TIP3 2028 42.563 5.556 50.593 1.00 0.00 WT3 O ATOM 38753 H1 TIP3 2028 42.700 5.905 49.713 1.00 0.00 WT3 H ATOM 38754 H2 TIP3 2028 43.201 4.847 50.672 1.00 0.00 WT3 H ATOM 38755 OH2 TIP3 2035 63.033 69.847 45.956 1.00 0.00 WT3 O ATOM 38756 H1 TIP3 2035 62.505 69.054 45.860 1.00 0.00 WT3 H ATOM 38757 H2 TIP3 2035 63.095 69.981 46.902 1.00 0.00 WT3 H ATOM 38758 OH2 TIP3 2049 75.817 88.305 47.194 1.00 0.00 WT3 O ATOM 38759 H1 TIP3 2049 76.647 87.831 47.255 1.00 0.00 WT3 H ATOM 38760 H2 TIP3 2049 75.961 88.952 46.503 1.00 0.00 WT3 H ATOM 38761 OH2 TIP3 2105 90.292 95.481 28.018 1.00 0.00 WT3 O ATOM 38762 H1 TIP3 2105 90.189 95.517 27.067 1.00 0.00 WT3 H ATOM 38763 H2 TIP3 2105 91.076 94.948 28.154 1.00 0.00 WT3 H ATOM 38764 OH2 TIP3 2123 84.034 82.091 12.384 1.00 0.00 WT3 O ATOM 38765 H1 TIP3 2123 84.026 83.048 12.383 1.00 0.00 WT3 H ATOM 38766 H2 TIP3 2123 84.251 81.853 13.285 1.00 0.00 WT3 H ATOM 38767 OH2 TIP3 2127 54.925 66.946 -7.304 1.00 0.00 WT3 O ATOM 38768 H1 TIP3 2127 54.841 66.274 -6.628 1.00 0.00 WT3 H ATOM 38769 H2 TIP3 2127 55.201 67.730 -6.829 1.00 0.00 WT3 H ATOM 38770 OH2 TIP3 2133 71.008 17.207 39.497 1.00 0.00 WT3 O ATOM 38771 H1 TIP3 2133 70.077 16.984 39.526 1.00 0.00 WT3 H ATOM 38772 H2 TIP3 2133 71.459 16.366 39.563 1.00 0.00 WT3 H ATOM 38773 OH2 TIP3 2145 27.837 84.525 4.403 1.00 0.00 WT3 O ATOM 38774 H1 TIP3 2145 28.630 84.914 4.033 1.00 0.00 WT3 H ATOM 38775 H2 TIP3 2145 27.742 84.942 5.259 1.00 0.00 WT3 H ATOM 38776 OH2 TIP3 2147 27.340 74.687 -7.795 1.00 0.00 WT3 O ATOM 38777 H1 TIP3 2147 26.859 73.864 -7.711 1.00 0.00 WT3 H ATOM 38778 H2 TIP3 2147 28.177 74.437 -8.187 1.00 0.00 WT3 H ATOM 38779 OH2 TIP3 2151 23.390 85.936 65.725 1.00 0.00 WT3 O ATOM 38780 H1 TIP3 2151 24.300 85.870 65.436 1.00 0.00 WT3 H ATOM 38781 H2 TIP3 2151 23.402 85.614 66.627 1.00 0.00 WT3 H ATOM 38782 OH2 TIP3 2163 62.911 34.835 42.759 1.00 0.00 WT3 O ATOM 38783 H1 TIP3 2163 62.626 35.146 41.899 1.00 0.00 WT3 H ATOM 38784 H2 TIP3 2163 62.418 34.026 42.896 1.00 0.00 WT3 H ATOM 38785 OH2 TIP3 2165 58.325 24.493 59.722 1.00 0.00 WT3 O ATOM 38786 H1 TIP3 2165 57.629 23.849 59.850 1.00 0.00 WT3 H ATOM 38787 H2 TIP3 2165 58.171 25.151 60.400 1.00 0.00 WT3 H ATOM 38788 OH2 TIP3 2167 38.307 95.982 -1.538 1.00 0.00 WT3 O ATOM 38789 H1 TIP3 2167 38.795 96.631 -1.031 1.00 0.00 WT3 H ATOM 38790 H2 TIP3 2167 37.459 95.922 -1.098 1.00 0.00 WT3 H ATOM 38791 OH2 TIP3 2172 30.275 7.785 7.435 1.00 0.00 WT3 O ATOM 38792 H1 TIP3 2172 29.927 7.074 7.975 1.00 0.00 WT3 H ATOM 38793 H2 TIP3 2172 30.945 8.195 7.982 1.00 0.00 WT3 H ATOM 38794 OH2 TIP3 2180 54.810 24.779 29.962 1.00 0.00 WT3 O ATOM 38795 H1 TIP3 2180 54.289 23.978 29.898 1.00 0.00 WT3 H ATOM 38796 H2 TIP3 2180 54.325 25.423 29.447 1.00 0.00 WT3 H ATOM 38797 OH2 TIP3 2184 42.637 23.236 48.133 1.00 0.00 WT3 O ATOM 38798 H1 TIP3 2184 42.977 22.347 48.031 1.00 0.00 WT3 H ATOM 38799 H2 TIP3 2184 41.723 23.176 47.855 1.00 0.00 WT3 H ATOM 38800 OH2 TIP3 2185 62.612 64.281 44.177 1.00 0.00 WT3 O ATOM 38801 H1 TIP3 2185 61.801 63.813 44.375 1.00 0.00 WT3 H ATOM 38802 H2 TIP3 2185 62.331 65.175 43.982 1.00 0.00 WT3 H ATOM 38803 OH2 TIP3 2186 27.015 70.272 56.328 1.00 0.00 WT3 O ATOM 38804 H1 TIP3 2186 26.220 70.600 56.748 1.00 0.00 WT3 H ATOM 38805 H2 TIP3 2186 27.633 71.002 56.382 1.00 0.00 WT3 H ATOM 38806 OH2 TIP3 2187 32.843 73.063 13.675 1.00 0.00 WT3 O ATOM 38807 H1 TIP3 2187 32.744 72.123 13.526 1.00 0.00 WT3 H ATOM 38808 H2 TIP3 2187 33.381 73.125 14.464 1.00 0.00 WT3 H ATOM 38809 OH2 TIP3 2197 21.095 42.928 56.680 1.00 0.00 WT3 O ATOM 38810 H1 TIP3 2197 20.204 42.726 56.394 1.00 0.00 WT3 H ATOM 38811 H2 TIP3 2197 21.604 42.967 55.870 1.00 0.00 WT3 H ATOM 38812 OH2 TIP3 2198 38.033 56.158 -15.516 1.00 0.00 WT3 O ATOM 38813 H1 TIP3 2198 38.979 56.236 -15.399 1.00 0.00 WT3 H ATOM 38814 H2 TIP3 2198 37.838 55.246 -15.297 1.00 0.00 WT3 H ATOM 38815 OH2 TIP3 2200 41.080 80.679 35.649 1.00 0.00 WT3 O ATOM 38816 H1 TIP3 2200 41.483 80.025 35.079 1.00 0.00 WT3 H ATOM 38817 H2 TIP3 2200 40.141 80.499 35.596 1.00 0.00 WT3 H ATOM 38818 OH2 TIP3 2201 46.425 85.193 58.457 1.00 0.00 WT3 O ATOM 38819 H1 TIP3 2201 46.265 85.558 59.327 1.00 0.00 WT3 H ATOM 38820 H2 TIP3 2201 47.211 85.644 58.149 1.00 0.00 WT3 H ATOM 38821 OH2 TIP3 2203 79.075 92.721 27.228 1.00 0.00 WT3 O ATOM 38822 H1 TIP3 2203 78.247 93.199 27.286 1.00 0.00 WT3 H ATOM 38823 H2 TIP3 2203 79.717 93.303 27.634 1.00 0.00 WT3 H ATOM 38824 OH2 TIP3 2208 23.720 92.723 62.493 1.00 0.00 WT3 O ATOM 38825 H1 TIP3 2208 23.649 93.580 62.072 1.00 0.00 WT3 H ATOM 38826 H2 TIP3 2208 23.717 92.915 63.431 1.00 0.00 WT3 H ATOM 38827 OH2 TIP3 2211 75.885 77.913 55.924 1.00 0.00 WT3 O ATOM 38828 H1 TIP3 2211 75.815 77.213 55.274 1.00 0.00 WT3 H ATOM 38829 H2 TIP3 2211 75.032 77.924 56.358 1.00 0.00 WT3 H ATOM 38830 OH2 TIP3 2212 77.221 27.570 -18.722 1.00 0.00 WT3 O ATOM 38831 H1 TIP3 2212 78.101 27.290 -18.470 1.00 0.00 WT3 H ATOM 38832 H2 TIP3 2212 77.209 27.493 -19.676 1.00 0.00 WT3 H ATOM 38833 OH2 TIP3 2213 53.499 16.472 66.899 1.00 0.00 WT3 O ATOM 38834 H1 TIP3 2213 53.891 17.048 67.556 1.00 0.00 WT3 H ATOM 38835 H2 TIP3 2213 54.193 15.850 66.681 1.00 0.00 WT3 H ATOM 38836 OH2 TIP3 2217 77.646 75.999 1.100 1.00 0.00 WT3 O ATOM 38837 H1 TIP3 2217 77.103 75.491 0.498 1.00 0.00 WT3 H ATOM 38838 H2 TIP3 2217 77.450 76.912 0.888 1.00 0.00 WT3 H ATOM 38839 OH2 TIP3 2219 74.872 35.725 26.779 1.00 0.00 WT3 O ATOM 38840 H1 TIP3 2219 75.120 35.974 27.670 1.00 0.00 WT3 H ATOM 38841 H2 TIP3 2219 75.064 36.500 26.251 1.00 0.00 WT3 H ATOM 38842 OH2 TIP3 2227 83.792 85.878 -0.029 1.00 0.00 WT3 O ATOM 38843 H1 TIP3 2227 83.441 85.323 0.668 1.00 0.00 WT3 H ATOM 38844 H2 TIP3 2227 83.526 86.765 0.213 1.00 0.00 WT3 H ATOM 38845 OH2 TIP3 2229 65.777 22.289 -3.249 1.00 0.00 WT3 O ATOM 38846 H1 TIP3 2229 65.354 21.983 -2.446 1.00 0.00 WT3 H ATOM 38847 H2 TIP3 2229 66.016 23.197 -3.063 1.00 0.00 WT3 H ATOM 38848 OH2 TIP3 2231 72.270 1.095 48.188 1.00 0.00 WT3 O ATOM 38849 H1 TIP3 2231 72.869 0.372 48.374 1.00 0.00 WT3 H ATOM 38850 H2 TIP3 2231 71.611 0.717 47.605 1.00 0.00 WT3 H ATOM 38851 OH2 TIP3 2232 30.893 81.086 36.595 1.00 0.00 WT3 O ATOM 38852 H1 TIP3 2232 30.380 80.285 36.704 1.00 0.00 WT3 H ATOM 38853 H2 TIP3 2232 31.657 80.960 37.158 1.00 0.00 WT3 H ATOM 38854 OH2 TIP3 2234 46.956 12.234 8.148 1.00 0.00 WT3 O ATOM 38855 H1 TIP3 2234 47.048 11.289 8.264 1.00 0.00 WT3 H ATOM 38856 H2 TIP3 2234 46.967 12.588 9.037 1.00 0.00 WT3 H ATOM 38857 OH2 TIP3 2236 38.266 96.436 26.175 1.00 0.00 WT3 O ATOM 38858 H1 TIP3 2236 37.518 96.831 26.621 1.00 0.00 WT3 H ATOM 38859 H2 TIP3 2236 37.902 96.081 25.364 1.00 0.00 WT3 H ATOM 38860 OH2 TIP3 2238 43.797 9.475 -5.595 1.00 0.00 WT3 O ATOM 38861 H1 TIP3 2238 43.637 10.104 -4.891 1.00 0.00 WT3 H ATOM 38862 H2 TIP3 2238 44.425 9.912 -6.169 1.00 0.00 WT3 H ATOM 38863 OH2 TIP3 2240 27.872 42.152 25.344 1.00 0.00 WT3 O ATOM 38864 H1 TIP3 2240 28.254 42.995 25.100 1.00 0.00 WT3 H ATOM 38865 H2 TIP3 2240 28.538 41.735 25.890 1.00 0.00 WT3 H ATOM 38866 OH2 TIP3 2241 33.059 33.735 -9.131 1.00 0.00 WT3 O ATOM 38867 H1 TIP3 2241 32.720 34.594 -8.877 1.00 0.00 WT3 H ATOM 38868 H2 TIP3 2241 32.338 33.325 -9.611 1.00 0.00 WT3 H ATOM 38869 OH2 TIP3 2242 30.464 70.737 18.041 1.00 0.00 WT3 O ATOM 38870 H1 TIP3 2242 31.385 70.743 18.304 1.00 0.00 WT3 H ATOM 38871 H2 TIP3 2242 30.478 70.974 17.114 1.00 0.00 WT3 H ATOM 38872 OH2 TIP3 2244 81.933 56.067 56.068 1.00 0.00 WT3 O ATOM 38873 H1 TIP3 2244 81.501 55.335 56.509 1.00 0.00 WT3 H ATOM 38874 H2 TIP3 2244 82.396 55.665 55.333 1.00 0.00 WT3 H ATOM 38875 OH2 TIP3 2247 50.496 88.872 33.728 1.00 0.00 WT3 O ATOM 38876 H1 TIP3 2247 50.152 88.711 34.607 1.00 0.00 WT3 H ATOM 38877 H2 TIP3 2247 50.825 88.020 33.439 1.00 0.00 WT3 H ATOM 38878 OH2 TIP3 2248 45.585 88.672 64.788 1.00 0.00 WT3 O ATOM 38879 H1 TIP3 2248 46.191 89.413 64.805 1.00 0.00 WT3 H ATOM 38880 H2 TIP3 2248 45.788 88.216 63.971 1.00 0.00 WT3 H ATOM 38881 OH2 TIP3 2249 32.744 54.507 28.997 1.00 0.00 WT3 O ATOM 38882 H1 TIP3 2249 33.619 54.847 29.185 1.00 0.00 WT3 H ATOM 38883 H2 TIP3 2249 32.578 54.761 28.089 1.00 0.00 WT3 H ATOM 38884 OH2 TIP3 2250 59.256 59.070 19.948 1.00 0.00 WT3 O ATOM 38885 H1 TIP3 2250 58.416 58.898 19.524 1.00 0.00 WT3 H ATOM 38886 H2 TIP3 2250 59.567 59.881 19.544 1.00 0.00 WT3 H ATOM 38887 OH2 TIP3 2251 60.647 28.588 -11.118 1.00 0.00 WT3 O ATOM 38888 H1 TIP3 2251 60.298 27.810 -11.553 1.00 0.00 WT3 H ATOM 38889 H2 TIP3 2251 60.233 28.586 -10.255 1.00 0.00 WT3 H ATOM 38890 OH2 TIP3 2253 24.284 0.747 0.990 1.00 0.00 WT3 O ATOM 38891 H1 TIP3 2253 25.119 0.313 1.165 1.00 0.00 WT3 H ATOM 38892 H2 TIP3 2253 23.694 0.039 0.732 1.00 0.00 WT3 H ATOM 38893 OH2 TIP3 2254 82.569 94.733 -9.659 1.00 0.00 WT3 O ATOM 38894 H1 TIP3 2254 81.672 94.936 -9.395 1.00 0.00 WT3 H ATOM 38895 H2 TIP3 2254 82.907 94.178 -8.956 1.00 0.00 WT3 H ATOM 38896 OH2 TIP3 2256 86.455 13.645 -7.581 1.00 0.00 WT3 O ATOM 38897 H1 TIP3 2256 87.141 13.572 -8.245 1.00 0.00 WT3 H ATOM 38898 H2 TIP3 2256 85.978 14.441 -7.815 1.00 0.00 WT3 H ATOM 38899 OH2 TIP3 2257 39.066 63.368 56.698 1.00 0.00 WT3 O ATOM 38900 H1 TIP3 2257 38.412 64.063 56.765 1.00 0.00 WT3 H ATOM 38901 H2 TIP3 2257 39.832 63.713 57.155 1.00 0.00 WT3 H ATOM 38902 OH2 TIP3 2260 51.634 93.805 41.810 1.00 0.00 WT3 O ATOM 38903 H1 TIP3 2260 51.268 93.344 41.055 1.00 0.00 WT3 H ATOM 38904 H2 TIP3 2260 52.171 94.500 41.430 1.00 0.00 WT3 H ATOM 38905 OH2 TIP3 2261 68.764 87.160 26.818 1.00 0.00 WT3 O ATOM 38906 H1 TIP3 2261 69.567 87.151 27.339 1.00 0.00 WT3 H ATOM 38907 H2 TIP3 2261 68.879 86.449 26.188 1.00 0.00 WT3 H ATOM 38908 OH2 TIP3 2263 22.893 57.415 45.064 1.00 0.00 WT3 O ATOM 38909 H1 TIP3 2263 23.841 57.373 45.190 1.00 0.00 WT3 H ATOM 38910 H2 TIP3 2263 22.681 56.625 44.568 1.00 0.00 WT3 H ATOM 38911 OH2 TIP3 2264 57.404 59.451 39.173 1.00 0.00 WT3 O ATOM 38912 H1 TIP3 2264 56.591 59.864 38.882 1.00 0.00 WT3 H ATOM 38913 H2 TIP3 2264 57.591 58.793 38.504 1.00 0.00 WT3 H ATOM 38914 OH2 TIP3 2265 47.433 49.566 34.068 1.00 0.00 WT3 O ATOM 38915 H1 TIP3 2265 46.972 50.075 33.401 1.00 0.00 WT3 H ATOM 38916 H2 TIP3 2265 47.207 48.656 33.875 1.00 0.00 WT3 H ATOM 38917 OH2 TIP3 2268 79.577 15.680 41.877 1.00 0.00 WT3 O ATOM 38918 H1 TIP3 2268 80.098 15.788 41.081 1.00 0.00 WT3 H ATOM 38919 H2 TIP3 2268 79.160 14.825 41.777 1.00 0.00 WT3 H ATOM 38920 OH2 TIP3 2269 21.802 87.740 64.355 1.00 0.00 WT3 O ATOM 38921 H1 TIP3 2269 22.404 87.208 64.875 1.00 0.00 WT3 H ATOM 38922 H2 TIP3 2269 20.957 87.300 64.441 1.00 0.00 WT3 H ATOM 38923 OH2 TIP3 2270 82.711 91.936 -7.641 1.00 0.00 WT3 O ATOM 38924 H1 TIP3 2270 83.307 92.306 -6.990 1.00 0.00 WT3 H ATOM 38925 H2 TIP3 2270 81.866 92.344 -7.452 1.00 0.00 WT3 H ATOM 38926 OH2 TIP3 2271 85.502 19.014 -5.685 1.00 0.00 WT3 O ATOM 38927 H1 TIP3 2271 84.783 18.744 -5.114 1.00 0.00 WT3 H ATOM 38928 H2 TIP3 2271 85.204 19.836 -6.074 1.00 0.00 WT3 H ATOM 38929 OH2 TIP3 2272 21.599 74.358 -13.896 1.00 0.00 WT3 O ATOM 38930 H1 TIP3 2272 22.438 74.056 -13.549 1.00 0.00 WT3 H ATOM 38931 H2 TIP3 2272 21.769 75.253 -14.192 1.00 0.00 WT3 H ATOM 38932 OH2 TIP3 2273 76.300 17.555 -5.598 1.00 0.00 WT3 O ATOM 38933 H1 TIP3 2273 76.430 16.990 -6.359 1.00 0.00 WT3 H ATOM 38934 H2 TIP3 2273 76.582 17.023 -4.853 1.00 0.00 WT3 H ATOM 38935 OH2 TIP3 2274 79.652 46.559 17.666 1.00 0.00 WT3 O ATOM 38936 H1 TIP3 2274 79.198 46.268 18.456 1.00 0.00 WT3 H ATOM 38937 H2 TIP3 2274 78.953 46.728 17.035 1.00 0.00 WT3 H ATOM 38938 OH2 TIP3 2275 48.858 91.938 39.302 1.00 0.00 WT3 O ATOM 38939 H1 TIP3 2275 48.146 91.442 39.706 1.00 0.00 WT3 H ATOM 38940 H2 TIP3 2275 48.923 91.585 38.415 1.00 0.00 WT3 H ATOM 38941 OH2 TIP3 2277 43.791 80.437 0.561 1.00 0.00 WT3 O ATOM 38942 H1 TIP3 2277 44.041 79.691 1.106 1.00 0.00 WT3 H ATOM 38943 H2 TIP3 2277 44.617 80.763 0.205 1.00 0.00 WT3 H ATOM 38944 OH2 TIP3 2279 33.703 83.519 31.201 1.00 0.00 WT3 O ATOM 38945 H1 TIP3 2279 33.950 82.976 31.950 1.00 0.00 WT3 H ATOM 38946 H2 TIP3 2279 33.306 82.908 30.581 1.00 0.00 WT3 H ATOM 38947 OH2 TIP3 2280 62.910 63.206 -5.363 1.00 0.00 WT3 O ATOM 38948 H1 TIP3 2280 62.398 62.732 -6.019 1.00 0.00 WT3 H ATOM 38949 H2 TIP3 2280 63.176 62.534 -4.735 1.00 0.00 WT3 H ATOM 38950 OH2 TIP3 2281 28.759 84.853 34.178 1.00 0.00 WT3 O ATOM 38951 H1 TIP3 2281 28.394 85.729 34.302 1.00 0.00 WT3 H ATOM 38952 H2 TIP3 2281 29.308 84.711 34.950 1.00 0.00 WT3 H ATOM 38953 OH2 TIP3 2282 68.428 43.246 27.433 1.00 0.00 WT3 O ATOM 38954 H1 TIP3 2282 68.111 44.125 27.226 1.00 0.00 WT3 H ATOM 38955 H2 TIP3 2282 69.185 43.124 26.860 1.00 0.00 WT3 H ATOM 38956 OH2 TIP3 2283 61.043 10.201 61.738 1.00 0.00 WT3 O ATOM 38957 H1 TIP3 2283 60.235 9.811 62.071 1.00 0.00 WT3 H ATOM 38958 H2 TIP3 2283 61.356 10.753 62.455 1.00 0.00 WT3 H ATOM 38959 OH2 TIP3 2284 55.274 87.726 -4.470 1.00 0.00 WT3 O ATOM 38960 H1 TIP3 2284 54.830 88.350 -5.043 1.00 0.00 WT3 H ATOM 38961 H2 TIP3 2284 54.620 87.047 -4.302 1.00 0.00 WT3 H ATOM 38962 OH2 TIP3 2286 60.026 29.335 30.663 1.00 0.00 WT3 O ATOM 38963 H1 TIP3 2286 59.301 29.876 30.975 1.00 0.00 WT3 H ATOM 38964 H2 TIP3 2286 60.648 29.959 30.289 1.00 0.00 WT3 H ATOM 38965 OH2 TIP3 2287 20.978 11.692 58.250 1.00 0.00 WT3 O ATOM 38966 H1 TIP3 2287 20.536 11.689 57.401 1.00 0.00 WT3 H ATOM 38967 H2 TIP3 2287 20.865 12.585 58.575 1.00 0.00 WT3 H ATOM 38968 OH2 TIP3 2288 88.485 13.255 53.545 1.00 0.00 WT3 O ATOM 38969 H1 TIP3 2288 88.139 13.923 52.953 1.00 0.00 WT3 H ATOM 38970 H2 TIP3 2288 87.969 13.353 54.345 1.00 0.00 WT3 H ATOM 38971 OH2 TIP3 2289 24.847 63.326 34.850 1.00 0.00 WT3 O ATOM 38972 H1 TIP3 2289 24.637 63.917 35.573 1.00 0.00 WT3 H ATOM 38973 H2 TIP3 2289 24.808 63.878 34.069 1.00 0.00 WT3 H ATOM 38974 OH2 TIP3 2291 44.761 80.889 28.462 1.00 0.00 WT3 O ATOM 38975 H1 TIP3 2291 44.692 80.006 28.826 1.00 0.00 WT3 H ATOM 38976 H2 TIP3 2291 45.295 80.783 27.675 1.00 0.00 WT3 H ATOM 38977 OH2 TIP3 2292 35.184 63.856 66.935 1.00 0.00 WT3 O ATOM 38978 H1 TIP3 2292 35.055 64.689 67.388 1.00 0.00 WT3 H ATOM 38979 H2 TIP3 2292 34.314 63.618 66.616 1.00 0.00 WT3 H ATOM 38980 OH2 TIP3 2293 48.116 82.227 34.571 1.00 0.00 WT3 O ATOM 38981 H1 TIP3 2293 48.199 81.397 34.101 1.00 0.00 WT3 H ATOM 38982 H2 TIP3 2293 47.250 82.555 34.329 1.00 0.00 WT3 H ATOM 38983 OH2 TIP3 2294 82.652 85.174 60.019 1.00 0.00 WT3 O ATOM 38984 H1 TIP3 2294 82.621 84.324 60.457 1.00 0.00 WT3 H ATOM 38985 H2 TIP3 2294 83.046 84.991 59.167 1.00 0.00 WT3 H ATOM 38986 OH2 TIP3 2295 37.448 17.446 -9.847 1.00 0.00 WT3 O ATOM 38987 H1 TIP3 2295 36.950 18.151 -9.432 1.00 0.00 WT3 H ATOM 38988 H2 TIP3 2295 37.865 16.986 -9.119 1.00 0.00 WT3 H ATOM 38989 OH2 TIP3 2296 66.373 89.326 -16.510 1.00 0.00 WT3 O ATOM 38990 H1 TIP3 2296 66.076 89.546 -17.393 1.00 0.00 WT3 H ATOM 38991 H2 TIP3 2296 65.583 89.025 -16.060 1.00 0.00 WT3 H ATOM 38992 OH2 TIP3 2297 79.780 57.193 13.433 1.00 0.00 WT3 O ATOM 38993 H1 TIP3 2297 80.473 57.339 14.077 1.00 0.00 WT3 H ATOM 38994 H2 TIP3 2297 79.031 57.684 13.770 1.00 0.00 WT3 H ATOM 38995 OH2 TIP3 2299 50.687 92.147 59.991 1.00 0.00 WT3 O ATOM 38996 H1 TIP3 2299 50.218 91.313 60.000 1.00 0.00 WT3 H ATOM 38997 H2 TIP3 2299 50.009 92.805 60.151 1.00 0.00 WT3 H ATOM 38998 OH2 TIP3 2300 70.402 79.481 -6.143 1.00 0.00 WT3 O ATOM 38999 H1 TIP3 2300 71.239 79.015 -6.169 1.00 0.00 WT3 H ATOM 39000 H2 TIP3 2300 69.742 78.789 -6.166 1.00 0.00 WT3 H ATOM 39001 OH2 TIP3 2301 77.821 53.756 25.351 1.00 0.00 WT3 O ATOM 39002 H1 TIP3 2301 77.403 53.055 25.850 1.00 0.00 WT3 H ATOM 39003 H2 TIP3 2301 78.723 53.458 25.228 1.00 0.00 WT3 H ATOM 39004 OH2 TIP3 2302 77.785 20.107 54.276 1.00 0.00 WT3 O ATOM 39005 H1 TIP3 2302 77.015 20.036 53.712 1.00 0.00 WT3 H ATOM 39006 H2 TIP3 2302 78.321 20.785 53.865 1.00 0.00 WT3 H ATOM 39007 OH2 TIP3 2303 78.863 26.859 57.266 1.00 0.00 WT3 O ATOM 39008 H1 TIP3 2303 78.582 27.768 57.163 1.00 0.00 WT3 H ATOM 39009 H2 TIP3 2303 78.420 26.560 58.061 1.00 0.00 WT3 H ATOM 39010 OH2 TIP3 2304 33.276 52.256 30.718 1.00 0.00 WT3 O ATOM 39011 H1 TIP3 2304 33.827 51.673 30.196 1.00 0.00 WT3 H ATOM 39012 H2 TIP3 2304 33.121 53.011 30.151 1.00 0.00 WT3 H ATOM 39013 OH2 TIP3 2306 34.646 23.545 42.142 1.00 0.00 WT3 O ATOM 39014 H1 TIP3 2306 34.987 23.423 43.028 1.00 0.00 WT3 H ATOM 39015 H2 TIP3 2306 34.686 22.674 41.748 1.00 0.00 WT3 H ATOM 39016 OH2 TIP3 2307 34.057 75.338 37.838 1.00 0.00 WT3 O ATOM 39017 H1 TIP3 2307 33.163 75.201 37.525 1.00 0.00 WT3 H ATOM 39018 H2 TIP3 2307 34.322 76.172 37.451 1.00 0.00 WT3 H ATOM 39019 OH2 TIP3 2309 42.177 91.783 13.704 1.00 0.00 WT3 O ATOM 39020 H1 TIP3 2309 41.419 91.378 14.124 1.00 0.00 WT3 H ATOM 39021 H2 TIP3 2309 41.859 92.635 13.404 1.00 0.00 WT3 H ATOM 39022 OH2 TIP3 2310 89.628 15.648 67.343 1.00 0.00 WT3 O ATOM 39023 H1 TIP3 2310 89.426 14.712 67.327 1.00 0.00 WT3 H ATOM 39024 H2 TIP3 2310 89.523 15.932 66.435 1.00 0.00 WT3 H ATOM 39025 OH2 TIP3 2311 89.241 53.315 -3.555 1.00 0.00 WT3 O ATOM 39026 H1 TIP3 2311 89.483 53.120 -4.460 1.00 0.00 WT3 H ATOM 39027 H2 TIP3 2311 88.317 53.563 -3.602 1.00 0.00 WT3 H ATOM 39028 OH2 TIP3 2313 75.481 33.024 24.389 1.00 0.00 WT3 O ATOM 39029 H1 TIP3 2313 75.955 33.406 23.651 1.00 0.00 WT3 H ATOM 39030 H2 TIP3 2313 75.747 33.549 25.144 1.00 0.00 WT3 H ATOM 39031 OH2 TIP3 2314 64.906 72.336 26.423 1.00 0.00 WT3 O ATOM 39032 H1 TIP3 2314 64.480 72.413 27.277 1.00 0.00 WT3 H ATOM 39033 H2 TIP3 2314 64.319 71.778 25.912 1.00 0.00 WT3 H ATOM 39034 OH2 TIP3 2315 29.543 14.265 38.790 1.00 0.00 WT3 O ATOM 39035 H1 TIP3 2315 28.969 13.553 38.506 1.00 0.00 WT3 H ATOM 39036 H2 TIP3 2315 30.394 13.848 38.923 1.00 0.00 WT3 H ATOM 39037 OH2 TIP3 2316 72.346 91.696 -2.072 1.00 0.00 WT3 O ATOM 39038 H1 TIP3 2316 72.071 91.034 -2.707 1.00 0.00 WT3 H ATOM 39039 H2 TIP3 2316 72.379 92.511 -2.574 1.00 0.00 WT3 H ATOM 39040 OH2 TIP3 2317 31.160 91.382 12.325 1.00 0.00 WT3 O ATOM 39041 H1 TIP3 2317 30.457 92.027 12.250 1.00 0.00 WT3 H ATOM 39042 H2 TIP3 2317 31.937 91.897 12.543 1.00 0.00 WT3 H ATOM 39043 OH2 TIP3 2318 51.073 12.312 36.571 1.00 0.00 WT3 O ATOM 39044 H1 TIP3 2318 50.407 12.725 37.122 1.00 0.00 WT3 H ATOM 39045 H2 TIP3 2318 50.631 12.156 35.736 1.00 0.00 WT3 H ATOM 39046 OH2 TIP3 2319 34.560 11.928 23.040 1.00 0.00 WT3 O ATOM 39047 H1 TIP3 2319 34.949 11.053 23.019 1.00 0.00 WT3 H ATOM 39048 H2 TIP3 2319 35.046 12.391 23.722 1.00 0.00 WT3 H ATOM 39049 OH2 TIP3 2320 31.230 91.257 56.004 1.00 0.00 WT3 O ATOM 39050 H1 TIP3 2320 32.165 91.406 55.864 1.00 0.00 WT3 H ATOM 39051 H2 TIP3 2320 30.816 92.085 55.761 1.00 0.00 WT3 H ATOM 39052 OH2 TIP3 2321 56.614 24.015 14.273 1.00 0.00 WT3 O ATOM 39053 H1 TIP3 2321 55.702 23.805 14.070 1.00 0.00 WT3 H ATOM 39054 H2 TIP3 2321 56.586 24.376 15.159 1.00 0.00 WT3 H ATOM 39055 OH2 TIP3 2322 64.193 88.329 -15.073 1.00 0.00 WT3 O ATOM 39056 H1 TIP3 2322 63.394 87.813 -15.190 1.00 0.00 WT3 H ATOM 39057 H2 TIP3 2322 64.541 88.043 -14.229 1.00 0.00 WT3 H ATOM 39058 OH2 TIP3 2324 28.463 74.440 53.469 1.00 0.00 WT3 O ATOM 39059 H1 TIP3 2324 27.645 74.478 53.965 1.00 0.00 WT3 H ATOM 39060 H2 TIP3 2324 28.992 75.154 53.825 1.00 0.00 WT3 H ATOM 39061 OH2 TIP3 2325 52.807 93.365 13.779 1.00 0.00 WT3 O ATOM 39062 H1 TIP3 2325 53.593 93.807 13.460 1.00 0.00 WT3 H ATOM 39063 H2 TIP3 2325 52.675 92.638 13.171 1.00 0.00 WT3 H ATOM 39064 OH2 TIP3 2326 21.626 76.605 4.861 1.00 0.00 WT3 O ATOM 39065 H1 TIP3 2326 22.428 77.012 5.190 1.00 0.00 WT3 H ATOM 39066 H2 TIP3 2326 21.873 75.697 4.685 1.00 0.00 WT3 H ATOM 39067 OH2 TIP3 2327 81.666 47.585 -7.393 1.00 0.00 WT3 O ATOM 39068 H1 TIP3 2327 81.736 48.516 -7.180 1.00 0.00 WT3 H ATOM 39069 H2 TIP3 2327 81.183 47.564 -8.219 1.00 0.00 WT3 H ATOM 39070 OH2 TIP3 2328 27.994 92.941 53.704 1.00 0.00 WT3 O ATOM 39071 H1 TIP3 2328 28.873 93.057 53.343 1.00 0.00 WT3 H ATOM 39072 H2 TIP3 2328 27.662 92.150 53.280 1.00 0.00 WT3 H ATOM 39073 OH2 TIP3 2329 71.952 42.095 1.298 1.00 0.00 WT3 O ATOM 39074 H1 TIP3 2329 72.337 42.967 1.385 1.00 0.00 WT3 H ATOM 39075 H2 TIP3 2329 72.694 41.496 1.380 1.00 0.00 WT3 H ATOM 39076 OH2 TIP3 2330 34.524 81.297 56.370 1.00 0.00 WT3 O ATOM 39077 H1 TIP3 2330 34.050 80.712 56.961 1.00 0.00 WT3 H ATOM 39078 H2 TIP3 2330 33.928 82.034 56.232 1.00 0.00 WT3 H ATOM 39079 OH2 TIP3 2331 29.092 69.980 -17.365 1.00 0.00 WT3 O ATOM 39080 H1 TIP3 2331 29.019 70.908 -17.142 1.00 0.00 WT3 H ATOM 39081 H2 TIP3 2331 28.381 69.560 -16.880 1.00 0.00 WT3 H ATOM 39082 OH2 TIP3 2332 86.108 42.701 62.879 1.00 0.00 WT3 O ATOM 39083 H1 TIP3 2332 86.833 43.107 62.403 1.00 0.00 WT3 H ATOM 39084 H2 TIP3 2332 86.006 41.841 62.471 1.00 0.00 WT3 H ATOM 39085 OH2 TIP3 2333 43.091 57.239 64.545 1.00 0.00 WT3 O ATOM 39086 H1 TIP3 2333 43.822 57.681 64.977 1.00 0.00 WT3 H ATOM 39087 H2 TIP3 2333 43.389 57.106 63.645 1.00 0.00 WT3 H ATOM 39088 OH2 TIP3 2334 71.475 9.812 37.470 1.00 0.00 WT3 O ATOM 39089 H1 TIP3 2334 72.197 9.361 37.907 1.00 0.00 WT3 H ATOM 39090 H2 TIP3 2334 71.622 10.739 37.656 1.00 0.00 WT3 H ATOM 39091 OH2 TIP3 2335 31.831 1.985 64.673 1.00 0.00 WT3 O ATOM 39092 H1 TIP3 2335 32.074 1.619 63.822 1.00 0.00 WT3 H ATOM 39093 H2 TIP3 2335 32.638 1.953 65.187 1.00 0.00 WT3 H ATOM 39094 OH2 TIP3 2339 47.534 67.086 62.546 1.00 0.00 WT3 O ATOM 39095 H1 TIP3 2339 47.352 67.987 62.814 1.00 0.00 WT3 H ATOM 39096 H2 TIP3 2339 48.461 67.089 62.308 1.00 0.00 WT3 H ATOM 39097 OH2 TIP3 2340 71.788 88.461 -14.034 1.00 0.00 WT3 O ATOM 39098 H1 TIP3 2340 72.635 88.785 -13.729 1.00 0.00 WT3 H ATOM 39099 H2 TIP3 2340 71.300 88.272 -13.233 1.00 0.00 WT3 H ATOM 39100 OH2 TIP3 2341 23.712 79.762 48.639 1.00 0.00 WT3 O ATOM 39101 H1 TIP3 2341 24.029 80.370 49.307 1.00 0.00 WT3 H ATOM 39102 H2 TIP3 2341 23.314 79.047 49.135 1.00 0.00 WT3 H ATOM 39103 OH2 TIP3 2342 76.860 92.325 -6.492 1.00 0.00 WT3 O ATOM 39104 H1 TIP3 2342 76.519 93.176 -6.216 1.00 0.00 WT3 H ATOM 39105 H2 TIP3 2342 76.109 91.880 -6.884 1.00 0.00 WT3 H ATOM 39106 OH2 TIP3 2345 81.514 63.818 65.375 1.00 0.00 WT3 O ATOM 39107 H1 TIP3 2345 81.092 63.024 65.703 1.00 0.00 WT3 H ATOM 39108 H2 TIP3 2345 82.214 63.499 64.805 1.00 0.00 WT3 H ATOM 39109 OH2 TIP3 2346 67.165 59.823 -7.286 1.00 0.00 WT3 O ATOM 39110 H1 TIP3 2346 67.699 60.554 -7.597 1.00 0.00 WT3 H ATOM 39111 H2 TIP3 2346 66.263 60.137 -7.359 1.00 0.00 WT3 H ATOM 39112 OH2 TIP3 2347 84.353 56.205 34.125 1.00 0.00 WT3 O ATOM 39113 H1 TIP3 2347 84.723 55.715 33.390 1.00 0.00 WT3 H ATOM 39114 H2 TIP3 2347 83.428 56.310 33.903 1.00 0.00 WT3 H ATOM 39115 OH2 TIP3 2348 45.394 19.186 -8.163 1.00 0.00 WT3 O ATOM 39116 H1 TIP3 2348 45.487 18.944 -9.085 1.00 0.00 WT3 H ATOM 39117 H2 TIP3 2348 44.559 19.653 -8.121 1.00 0.00 WT3 H ATOM 39118 OH2 TIP3 2349 45.092 53.636 54.742 1.00 0.00 WT3 O ATOM 39119 H1 TIP3 2349 44.316 53.558 54.187 1.00 0.00 WT3 H ATOM 39120 H2 TIP3 2349 44.955 54.447 55.233 1.00 0.00 WT3 H ATOM 39121 OH2 TIP3 2350 39.109 77.652 64.513 1.00 0.00 WT3 O ATOM 39122 H1 TIP3 2350 39.039 77.235 63.654 1.00 0.00 WT3 H ATOM 39123 H2 TIP3 2350 39.423 76.957 65.092 1.00 0.00 WT3 H ATOM 39124 OH2 TIP3 2351 55.371 55.557 59.300 1.00 0.00 WT3 O ATOM 39125 H1 TIP3 2351 55.072 55.683 58.399 1.00 0.00 WT3 H ATOM 39126 H2 TIP3 2351 55.005 54.710 59.558 1.00 0.00 WT3 H ATOM 39127 OH2 TIP3 2352 87.917 34.610 29.457 1.00 0.00 WT3 O ATOM 39128 H1 TIP3 2352 88.772 34.971 29.692 1.00 0.00 WT3 H ATOM 39129 H2 TIP3 2352 87.415 35.364 29.147 1.00 0.00 WT3 H ATOM 39130 OH2 TIP3 2353 40.076 24.825 8.727 1.00 0.00 WT3 O ATOM 39131 H1 TIP3 2353 41.029 24.855 8.813 1.00 0.00 WT3 H ATOM 39132 H2 TIP3 2353 39.858 25.593 8.200 1.00 0.00 WT3 H ATOM 39133 OH2 TIP3 2355 88.962 19.446 4.413 1.00 0.00 WT3 O ATOM 39134 H1 TIP3 2355 89.863 19.499 4.093 1.00 0.00 WT3 H ATOM 39135 H2 TIP3 2355 88.838 18.522 4.628 1.00 0.00 WT3 H ATOM 39136 OH2 TIP3 2356 74.957 75.155 48.831 1.00 0.00 WT3 O ATOM 39137 H1 TIP3 2356 75.098 76.096 48.931 1.00 0.00 WT3 H ATOM 39138 H2 TIP3 2356 75.487 74.758 49.522 1.00 0.00 WT3 H ATOM 39139 OH2 TIP3 2357 84.733 0.029 -5.835 1.00 0.00 WT3 O ATOM 39140 H1 TIP3 2357 84.240 0.838 -5.967 1.00 0.00 WT3 H ATOM 39141 H2 TIP3 2357 84.602 -0.184 -4.910 1.00 0.00 WT3 H ATOM 39142 OH2 TIP3 2358 87.523 36.385 -9.618 1.00 0.00 WT3 O ATOM 39143 H1 TIP3 2358 87.138 36.987 -8.981 1.00 0.00 WT3 H ATOM 39144 H2 TIP3 2358 88.300 36.038 -9.180 1.00 0.00 WT3 H ATOM 39145 OH2 TIP3 2359 27.350 5.030 66.915 1.00 0.00 WT3 O ATOM 39146 H1 TIP3 2359 27.839 4.208 66.900 1.00 0.00 WT3 H ATOM 39147 H2 TIP3 2359 27.153 5.209 65.996 1.00 0.00 WT3 H ATOM 39148 OH2 TIP3 2360 57.881 28.198 -6.319 1.00 0.00 WT3 O ATOM 39149 H1 TIP3 2360 57.234 27.559 -6.020 1.00 0.00 WT3 H ATOM 39150 H2 TIP3 2360 57.715 28.975 -5.785 1.00 0.00 WT3 H ATOM 39151 OH2 TIP3 2361 44.382 94.234 32.356 1.00 0.00 WT3 O ATOM 39152 H1 TIP3 2361 44.223 94.985 31.785 1.00 0.00 WT3 H ATOM 39153 H2 TIP3 2361 45.225 94.420 32.769 1.00 0.00 WT3 H ATOM 39154 OH2 TIP3 2362 68.411 44.583 58.233 1.00 0.00 WT3 O ATOM 39155 H1 TIP3 2362 69.044 44.791 58.921 1.00 0.00 WT3 H ATOM 39156 H2 TIP3 2362 68.053 45.432 57.973 1.00 0.00 WT3 H ATOM 39157 OH2 TIP3 2363 25.093 48.141 3.449 1.00 0.00 WT3 O ATOM 39158 H1 TIP3 2363 24.507 48.894 3.527 1.00 0.00 WT3 H ATOM 39159 H2 TIP3 2363 25.772 48.428 2.838 1.00 0.00 WT3 H ATOM 39160 OH2 TIP3 2365 53.841 89.651 33.773 1.00 0.00 WT3 O ATOM 39161 H1 TIP3 2365 53.145 90.043 33.246 1.00 0.00 WT3 H ATOM 39162 H2 TIP3 2365 53.391 89.295 34.539 1.00 0.00 WT3 H ATOM 39163 OH2 TIP3 2366 82.551 68.644 8.847 1.00 0.00 WT3 O ATOM 39164 H1 TIP3 2366 81.955 68.658 8.098 1.00 0.00 WT3 H ATOM 39165 H2 TIP3 2366 81.991 68.433 9.595 1.00 0.00 WT3 H ATOM 39166 OH2 TIP3 2367 21.461 73.251 23.219 1.00 0.00 WT3 O ATOM 39167 H1 TIP3 2367 22.362 73.194 22.900 1.00 0.00 WT3 H ATOM 39168 H2 TIP3 2367 21.383 72.533 23.846 1.00 0.00 WT3 H ATOM 39169 OH2 TIP3 2368 37.820 82.792 47.730 1.00 0.00 WT3 O ATOM 39170 H1 TIP3 2368 37.645 82.880 48.667 1.00 0.00 WT3 H ATOM 39171 H2 TIP3 2368 37.602 83.649 47.363 1.00 0.00 WT3 H ATOM 39172 OH2 TIP3 2374 22.239 69.953 51.604 1.00 0.00 WT3 O ATOM 39173 H1 TIP3 2374 22.795 69.609 50.906 1.00 0.00 WT3 H ATOM 39174 H2 TIP3 2374 22.059 69.197 52.163 1.00 0.00 WT3 H ATOM 39175 OH2 TIP3 2375 25.296 17.173 46.762 1.00 0.00 WT3 O ATOM 39176 H1 TIP3 2375 24.371 17.373 46.907 1.00 0.00 WT3 H ATOM 39177 H2 TIP3 2375 25.318 16.753 45.902 1.00 0.00 WT3 H ATOM 39178 OH2 TIP3 2376 89.017 28.391 20.504 1.00 0.00 WT3 O ATOM 39179 H1 TIP3 2376 88.517 29.205 20.566 1.00 0.00 WT3 H ATOM 39180 H2 TIP3 2376 88.499 27.836 19.922 1.00 0.00 WT3 H ATOM 39181 OH2 TIP3 2377 54.082 94.754 46.111 1.00 0.00 WT3 O ATOM 39182 H1 TIP3 2377 54.442 95.250 46.846 1.00 0.00 WT3 H ATOM 39183 H2 TIP3 2377 54.750 94.819 45.428 1.00 0.00 WT3 H ATOM 39184 OH2 TIP3 2379 62.640 72.940 62.983 1.00 0.00 WT3 O ATOM 39185 H1 TIP3 2379 62.806 71.998 62.939 1.00 0.00 WT3 H ATOM 39186 H2 TIP3 2379 62.851 73.262 62.107 1.00 0.00 WT3 H ATOM 39187 OH2 TIP3 2380 43.227 4.564 3.649 1.00 0.00 WT3 O ATOM 39188 H1 TIP3 2380 43.088 3.922 2.953 1.00 0.00 WT3 H ATOM 39189 H2 TIP3 2380 43.214 4.050 4.456 1.00 0.00 WT3 H ATOM 39190 OH2 TIP3 2381 30.384 11.945 54.403 1.00 0.00 WT3 O ATOM 39191 H1 TIP3 2381 31.332 11.933 54.534 1.00 0.00 WT3 H ATOM 39192 H2 TIP3 2381 30.274 12.004 53.454 1.00 0.00 WT3 H ATOM 39193 OH2 TIP3 2384 32.201 33.714 42.060 1.00 0.00 WT3 O ATOM 39194 H1 TIP3 2384 31.532 34.370 41.866 1.00 0.00 WT3 H ATOM 39195 H2 TIP3 2384 32.092 33.530 42.993 1.00 0.00 WT3 H ATOM 39196 OH2 TIP3 2388 29.249 12.344 51.539 1.00 0.00 WT3 O ATOM 39197 H1 TIP3 2388 29.795 12.706 50.842 1.00 0.00 WT3 H ATOM 39198 H2 TIP3 2388 28.520 11.925 51.081 1.00 0.00 WT3 H ATOM 39199 OH2 TIP3 2390 50.387 82.956 4.987 1.00 0.00 WT3 O ATOM 39200 H1 TIP3 2390 50.712 82.218 5.503 1.00 0.00 WT3 H ATOM 39201 H2 TIP3 2390 49.526 83.148 5.358 1.00 0.00 WT3 H ATOM 39202 OH2 TIP3 2393 73.137 27.187 -4.583 1.00 0.00 WT3 O ATOM 39203 H1 TIP3 2393 74.021 27.552 -4.535 1.00 0.00 WT3 H ATOM 39204 H2 TIP3 2393 72.562 27.924 -4.372 1.00 0.00 WT3 H ATOM 39205 OH2 TIP3 2394 38.843 72.330 65.306 1.00 0.00 WT3 O ATOM 39206 H1 TIP3 2394 39.197 72.041 66.147 1.00 0.00 WT3 H ATOM 39207 H2 TIP3 2394 37.908 72.453 65.470 1.00 0.00 WT3 H ATOM 39208 OH2 TIP3 2396 88.315 14.393 40.652 1.00 0.00 WT3 O ATOM 39209 H1 TIP3 2396 87.562 13.968 41.063 1.00 0.00 WT3 H ATOM 39210 H2 TIP3 2396 89.070 13.887 40.954 1.00 0.00 WT3 H ATOM 39211 OH2 TIP3 2397 46.910 81.818 20.147 1.00 0.00 WT3 O ATOM 39212 H1 TIP3 2397 46.428 81.426 19.419 1.00 0.00 WT3 H ATOM 39213 H2 TIP3 2397 46.926 81.136 20.819 1.00 0.00 WT3 H ATOM 39214 OH2 TIP3 2398 29.544 29.629 -16.045 1.00 0.00 WT3 O ATOM 39215 H1 TIP3 2398 30.108 30.286 -16.453 1.00 0.00 WT3 H ATOM 39216 H2 TIP3 2398 29.408 28.972 -16.727 1.00 0.00 WT3 H ATOM 39217 OH2 TIP3 2402 50.855 74.183 62.276 1.00 0.00 WT3 O ATOM 39218 H1 TIP3 2402 51.584 74.800 62.208 1.00 0.00 WT3 H ATOM 39219 H2 TIP3 2402 50.612 73.998 61.369 1.00 0.00 WT3 H ATOM 39220 OH2 TIP3 2405 64.020 69.790 29.327 1.00 0.00 WT3 O ATOM 39221 H1 TIP3 2405 63.354 69.132 29.128 1.00 0.00 WT3 H ATOM 39222 H2 TIP3 2405 63.705 70.587 28.901 1.00 0.00 WT3 H ATOM 39223 OH2 TIP3 2406 75.283 75.568 -6.300 1.00 0.00 WT3 O ATOM 39224 H1 TIP3 2406 74.803 74.768 -6.512 1.00 0.00 WT3 H ATOM 39225 H2 TIP3 2406 76.015 75.273 -5.759 1.00 0.00 WT3 H ATOM 39226 OH2 TIP3 2407 66.424 69.404 63.056 1.00 0.00 WT3 O ATOM 39227 H1 TIP3 2407 67.057 69.017 62.451 1.00 0.00 WT3 H ATOM 39228 H2 TIP3 2407 66.453 70.342 62.867 1.00 0.00 WT3 H ATOM 39229 OH2 TIP3 2408 73.837 82.338 26.162 1.00 0.00 WT3 O ATOM 39230 H1 TIP3 2408 73.451 81.893 25.408 1.00 0.00 WT3 H ATOM 39231 H2 TIP3 2408 73.875 83.259 25.903 1.00 0.00 WT3 H ATOM 39232 OH2 TIP3 2409 23.232 93.977 59.275 1.00 0.00 WT3 O ATOM 39233 H1 TIP3 2409 22.718 94.552 59.841 1.00 0.00 WT3 H ATOM 39234 H2 TIP3 2409 22.688 93.859 58.496 1.00 0.00 WT3 H ATOM 39235 OH2 TIP3 2411 28.360 83.829 63.062 1.00 0.00 WT3 O ATOM 39236 H1 TIP3 2411 27.608 83.256 62.911 1.00 0.00 WT3 H ATOM 39237 H2 TIP3 2411 29.055 83.460 62.517 1.00 0.00 WT3 H ATOM 39238 OH2 TIP3 2412 67.033 88.225 28.952 1.00 0.00 WT3 O ATOM 39239 H1 TIP3 2412 67.508 88.071 28.135 1.00 0.00 WT3 H ATOM 39240 H2 TIP3 2412 66.152 87.891 28.785 1.00 0.00 WT3 H ATOM 39241 OH2 TIP3 2413 50.451 0.161 -6.768 1.00 0.00 WT3 O ATOM 39242 H1 TIP3 2413 50.106 0.232 -5.877 1.00 0.00 WT3 H ATOM 39243 H2 TIP3 2413 51.299 0.603 -6.732 1.00 0.00 WT3 H ATOM 39244 OH2 TIP3 2414 33.337 79.307 43.155 1.00 0.00 WT3 O ATOM 39245 H1 TIP3 2414 32.750 78.782 43.699 1.00 0.00 WT3 H ATOM 39246 H2 TIP3 2414 33.771 78.671 42.586 1.00 0.00 WT3 H ATOM 39247 OH2 TIP3 2415 77.002 12.141 50.325 1.00 0.00 WT3 O ATOM 39248 H1 TIP3 2415 77.550 12.700 49.774 1.00 0.00 WT3 H ATOM 39249 H2 TIP3 2415 76.122 12.508 50.240 1.00 0.00 WT3 H ATOM 39250 OH2 TIP3 2418 25.806 72.398 -7.992 1.00 0.00 WT3 O ATOM 39251 H1 TIP3 2418 26.137 71.857 -7.275 1.00 0.00 WT3 H ATOM 39252 H2 TIP3 2418 25.051 72.854 -7.619 1.00 0.00 WT3 H ATOM 39253 OH2 TIP3 2426 31.973 30.339 14.742 1.00 0.00 WT3 O ATOM 39254 H1 TIP3 2426 32.655 30.639 14.141 1.00 0.00 WT3 H ATOM 39255 H2 TIP3 2426 31.610 31.143 15.114 1.00 0.00 WT3 H ATOM 39256 OH2 TIP3 2427 72.259 0.836 5.486 1.00 0.00 WT3 O ATOM 39257 H1 TIP3 2427 71.621 0.687 6.183 1.00 0.00 WT3 H ATOM 39258 H2 TIP3 2427 72.382 1.785 5.472 1.00 0.00 WT3 H ATOM 39259 OH2 TIP3 2432 86.131 37.807 65.030 1.00 0.00 WT3 O ATOM 39260 H1 TIP3 2432 85.193 37.940 65.164 1.00 0.00 WT3 H ATOM 39261 H2 TIP3 2432 86.291 36.912 65.327 1.00 0.00 WT3 H ATOM 39262 OH2 TIP3 2434 33.742 68.419 -13.551 1.00 0.00 WT3 O ATOM 39263 H1 TIP3 2434 34.647 68.651 -13.759 1.00 0.00 WT3 H ATOM 39264 H2 TIP3 2434 33.409 68.013 -14.352 1.00 0.00 WT3 H ATOM 39265 OH2 TIP3 2435 69.999 70.776 65.563 1.00 0.00 WT3 O ATOM 39266 H1 TIP3 2435 69.796 70.885 64.634 1.00 0.00 WT3 H ATOM 39267 H2 TIP3 2435 70.350 69.888 65.629 1.00 0.00 WT3 H ATOM 39268 OH2 TIP3 2436 86.147 71.792 -17.874 1.00 0.00 WT3 O ATOM 39269 H1 TIP3 2436 85.304 71.516 -18.234 1.00 0.00 WT3 H ATOM 39270 H2 TIP3 2436 86.567 70.978 -17.596 1.00 0.00 WT3 H ATOM 39271 OH2 TIP3 2444 84.386 59.557 12.730 1.00 0.00 WT3 O ATOM 39272 H1 TIP3 2444 84.646 58.860 12.127 1.00 0.00 WT3 H ATOM 39273 H2 TIP3 2444 84.340 60.341 12.184 1.00 0.00 WT3 H ATOM 39274 OH2 TIP3 2445 47.613 58.964 -3.646 1.00 0.00 WT3 O ATOM 39275 H1 TIP3 2445 47.967 59.191 -2.787 1.00 0.00 WT3 H ATOM 39276 H2 TIP3 2445 46.876 58.382 -3.456 1.00 0.00 WT3 H ATOM 39277 OH2 TIP3 2449 45.112 54.959 29.454 1.00 0.00 WT3 O ATOM 39278 H1 TIP3 2449 45.259 54.565 28.594 1.00 0.00 WT3 H ATOM 39279 H2 TIP3 2449 44.893 55.872 29.265 1.00 0.00 WT3 H ATOM 39280 OH2 TIP3 2451 22.970 76.411 -18.756 1.00 0.00 WT3 O ATOM 39281 H1 TIP3 2451 22.311 76.991 -18.376 1.00 0.00 WT3 H ATOM 39282 H2 TIP3 2451 23.054 76.705 -19.663 1.00 0.00 WT3 H ATOM 39283 OH2 TIP3 2453 80.192 2.564 61.855 1.00 0.00 WT3 O ATOM 39284 H1 TIP3 2453 80.083 2.966 62.717 1.00 0.00 WT3 H ATOM 39285 H2 TIP3 2453 80.610 3.242 61.324 1.00 0.00 WT3 H ATOM 39286 OH2 TIP3 2457 87.181 49.444 -11.751 1.00 0.00 WT3 O ATOM 39287 H1 TIP3 2457 86.462 48.950 -11.359 1.00 0.00 WT3 H ATOM 39288 H2 TIP3 2457 87.968 49.099 -11.330 1.00 0.00 WT3 H ATOM 39289 OH2 TIP3 2464 87.804 64.157 41.560 1.00 0.00 WT3 O ATOM 39290 H1 TIP3 2464 88.217 63.294 41.512 1.00 0.00 WT3 H ATOM 39291 H2 TIP3 2464 86.906 63.978 41.837 1.00 0.00 WT3 H ATOM 39292 OH2 TIP3 2469 77.404 25.356 0.605 1.00 0.00 WT3 O ATOM 39293 H1 TIP3 2469 77.216 26.099 1.179 1.00 0.00 WT3 H ATOM 39294 H2 TIP3 2469 78.050 25.691 -0.017 1.00 0.00 WT3 H ATOM 39295 OH2 TIP3 2473 30.810 80.148 13.958 1.00 0.00 WT3 O ATOM 39296 H1 TIP3 2473 30.992 80.254 14.891 1.00 0.00 WT3 H ATOM 39297 H2 TIP3 2473 31.673 80.138 13.544 1.00 0.00 WT3 H ATOM 39298 OH2 TIP3 2475 76.712 63.994 -12.899 1.00 0.00 WT3 O ATOM 39299 H1 TIP3 2475 77.306 64.655 -13.254 1.00 0.00 WT3 H ATOM 39300 H2 TIP3 2475 75.890 64.463 -12.752 1.00 0.00 WT3 H ATOM 39301 OH2 TIP3 2476 77.632 74.169 56.135 1.00 0.00 WT3 O ATOM 39302 H1 TIP3 2476 77.239 73.549 56.750 1.00 0.00 WT3 H ATOM 39303 H2 TIP3 2476 77.976 74.870 56.689 1.00 0.00 WT3 H ATOM 39304 OH2 TIP3 2508 61.864 9.867 39.185 1.00 0.00 WT3 O ATOM 39305 H1 TIP3 2508 61.322 10.654 39.238 1.00 0.00 WT3 H ATOM 39306 H2 TIP3 2508 61.276 9.194 38.842 1.00 0.00 WT3 H ATOM 39307 OH2 TIP3 2513 21.474 75.801 -10.402 1.00 0.00 WT3 O ATOM 39308 H1 TIP3 2513 21.453 75.765 -9.446 1.00 0.00 WT3 H ATOM 39309 H2 TIP3 2513 22.055 75.084 -10.657 1.00 0.00 WT3 H ATOM 39310 OH2 TIP3 2561 89.389 28.646 6.216 1.00 0.00 WT3 O ATOM 39311 H1 TIP3 2561 89.761 28.516 7.088 1.00 0.00 WT3 H ATOM 39312 H2 TIP3 2561 90.092 29.060 5.714 1.00 0.00 WT3 H ATOM 39313 OH2 TIP3 2587 86.594 51.932 -19.010 1.00 0.00 WT3 O ATOM 39314 H1 TIP3 2587 86.143 51.123 -18.769 1.00 0.00 WT3 H ATOM 39315 H2 TIP3 2587 86.032 52.629 -18.672 1.00 0.00 WT3 H ATOM 39316 OH2 TIP3 2591 46.086 33.990 -6.581 1.00 0.00 WT3 O ATOM 39317 H1 TIP3 2591 46.682 34.684 -6.298 1.00 0.00 WT3 H ATOM 39318 H2 TIP3 2591 45.587 33.767 -5.795 1.00 0.00 WT3 H ATOM 39319 OH2 TIP3 2606 66.910 63.482 -7.050 1.00 0.00 WT3 O ATOM 39320 H1 TIP3 2606 66.556 63.457 -6.161 1.00 0.00 WT3 H ATOM 39321 H2 TIP3 2606 66.149 63.645 -7.607 1.00 0.00 WT3 H ATOM 39322 OH2 TIP3 2607 63.999 51.628 58.524 1.00 0.00 WT3 O ATOM 39323 H1 TIP3 2607 63.311 52.099 58.995 1.00 0.00 WT3 H ATOM 39324 H2 TIP3 2607 64.294 52.243 57.852 1.00 0.00 WT3 H ATOM 39325 OH2 TIP3 2608 45.303 48.908 -11.632 1.00 0.00 WT3 O ATOM 39326 H1 TIP3 2608 44.476 49.386 -11.696 1.00 0.00 WT3 H ATOM 39327 H2 TIP3 2608 45.623 49.097 -10.750 1.00 0.00 WT3 H ATOM 39328 OH2 TIP3 2610 43.787 90.126 25.613 1.00 0.00 WT3 O ATOM 39329 H1 TIP3 2610 43.885 89.738 26.483 1.00 0.00 WT3 H ATOM 39330 H2 TIP3 2610 43.174 90.850 25.742 1.00 0.00 WT3 H ATOM 39331 OH2 TIP3 2616 80.965 42.598 -9.773 1.00 0.00 WT3 O ATOM 39332 H1 TIP3 2616 80.435 43.227 -9.284 1.00 0.00 WT3 H ATOM 39333 H2 TIP3 2616 81.831 42.648 -9.369 1.00 0.00 WT3 H ATOM 39334 OH2 TIP3 2617 27.722 81.827 -18.627 1.00 0.00 WT3 O ATOM 39335 H1 TIP3 2617 28.245 82.609 -18.802 1.00 0.00 WT3 H ATOM 39336 H2 TIP3 2617 28.235 81.108 -18.996 1.00 0.00 WT3 H ATOM 39337 OH2 TIP3 2624 89.701 64.270 52.369 1.00 0.00 WT3 O ATOM 39338 H1 TIP3 2624 90.106 64.191 53.232 1.00 0.00 WT3 H ATOM 39339 H2 TIP3 2624 89.757 63.390 51.996 1.00 0.00 WT3 H ATOM 39340 OH2 TIP3 2626 31.409 82.626 67.033 1.00 0.00 WT3 O ATOM 39341 H1 TIP3 2626 32.012 83.209 66.571 1.00 0.00 WT3 H ATOM 39342 H2 TIP3 2626 30.573 82.737 66.581 1.00 0.00 WT3 H ATOM 39343 OH2 TIP3 2628 70.916 57.683 -15.272 1.00 0.00 WT3 O ATOM 39344 H1 TIP3 2628 71.777 57.710 -15.689 1.00 0.00 WT3 H ATOM 39345 H2 TIP3 2628 70.854 56.801 -14.906 1.00 0.00 WT3 H ATOM 39346 OH2 TIP3 2629 23.592 79.311 35.001 1.00 0.00 WT3 O ATOM 39347 H1 TIP3 2629 23.780 78.843 34.188 1.00 0.00 WT3 H ATOM 39348 H2 TIP3 2629 22.643 79.438 34.991 1.00 0.00 WT3 H ATOM 39349 OH2 TIP3 2630 85.719 94.826 54.668 1.00 0.00 WT3 O ATOM 39350 H1 TIP3 2630 85.796 94.215 53.936 1.00 0.00 WT3 H ATOM 39351 H2 TIP3 2630 86.206 94.410 55.380 1.00 0.00 WT3 H ATOM 39352 OH2 TIP3 2632 63.536 24.631 28.050 1.00 0.00 WT3 O ATOM 39353 H1 TIP3 2632 63.201 24.199 28.836 1.00 0.00 WT3 H ATOM 39354 H2 TIP3 2632 63.357 25.561 28.192 1.00 0.00 WT3 H ATOM 39355 OH2 TIP3 2633 49.764 27.784 3.940 1.00 0.00 WT3 O ATOM 39356 H1 TIP3 2633 49.792 28.131 4.832 1.00 0.00 WT3 H ATOM 39357 H2 TIP3 2633 49.887 26.841 4.046 1.00 0.00 WT3 H ATOM 39358 OH2 TIP3 2634 29.934 60.001 16.792 1.00 0.00 WT3 O ATOM 39359 H1 TIP3 2634 30.420 59.443 17.400 1.00 0.00 WT3 H ATOM 39360 H2 TIP3 2634 29.805 60.820 17.269 1.00 0.00 WT3 H ATOM 39361 OH2 TIP3 2638 84.517 27.660 -4.116 1.00 0.00 WT3 O ATOM 39362 H1 TIP3 2638 84.301 28.084 -3.285 1.00 0.00 WT3 H ATOM 39363 H2 TIP3 2638 85.428 27.905 -4.281 1.00 0.00 WT3 H ATOM 39364 OH2 TIP3 2644 73.935 59.048 -4.757 1.00 0.00 WT3 O ATOM 39365 H1 TIP3 2644 74.651 58.412 -4.768 1.00 0.00 WT3 H ATOM 39366 H2 TIP3 2644 73.574 59.017 -5.643 1.00 0.00 WT3 H ATOM 39367 OH2 TIP3 2646 72.498 13.540 -14.138 1.00 0.00 WT3 O ATOM 39368 H1 TIP3 2646 72.954 13.971 -14.860 1.00 0.00 WT3 H ATOM 39369 H2 TIP3 2646 73.151 13.485 -13.440 1.00 0.00 WT3 H ATOM 39370 OH2 TIP3 2649 59.963 59.255 -2.671 1.00 0.00 WT3 O ATOM 39371 H1 TIP3 2649 59.823 59.222 -1.725 1.00 0.00 WT3 H ATOM 39372 H2 TIP3 2649 59.445 60.005 -2.964 1.00 0.00 WT3 H ATOM 39373 OH2 TIP3 2650 72.290 20.455 49.858 1.00 0.00 WT3 O ATOM 39374 H1 TIP3 2650 72.056 19.803 49.197 1.00 0.00 WT3 H ATOM 39375 H2 TIP3 2650 71.605 21.120 49.791 1.00 0.00 WT3 H ATOM 39376 OH2 TIP3 2652 32.978 2.346 -9.807 1.00 0.00 WT3 O ATOM 39377 H1 TIP3 2652 32.999 2.521 -8.866 1.00 0.00 WT3 H ATOM 39378 H2 TIP3 2652 32.072 2.521 -10.063 1.00 0.00 WT3 H ATOM 39379 OH2 TIP3 2654 78.605 68.320 35.350 1.00 0.00 WT3 O ATOM 39380 H1 TIP3 2654 78.132 67.489 35.335 1.00 0.00 WT3 H ATOM 39381 H2 TIP3 2654 78.169 68.833 36.030 1.00 0.00 WT3 H ATOM 39382 OH2 TIP3 2656 44.345 39.561 25.871 1.00 0.00 WT3 O ATOM 39383 H1 TIP3 2656 44.251 38.709 25.445 1.00 0.00 WT3 H ATOM 39384 H2 TIP3 2656 44.757 40.116 25.209 1.00 0.00 WT3 H ATOM 39385 OH2 TIP3 2657 41.501 70.198 8.570 1.00 0.00 WT3 O ATOM 39386 H1 TIP3 2657 41.766 69.385 8.140 1.00 0.00 WT3 H ATOM 39387 H2 TIP3 2657 41.021 69.913 9.347 1.00 0.00 WT3 H ATOM 39388 OH2 TIP3 2659 21.353 69.995 56.649 1.00 0.00 WT3 O ATOM 39389 H1 TIP3 2659 21.942 70.013 57.403 1.00 0.00 WT3 H ATOM 39390 H2 TIP3 2659 21.000 69.105 56.641 1.00 0.00 WT3 H ATOM 39391 OH2 TIP3 2661 90.129 24.366 65.634 1.00 0.00 WT3 O ATOM 39392 H1 TIP3 2661 90.704 24.953 66.124 1.00 0.00 WT3 H ATOM 39393 H2 TIP3 2661 89.254 24.546 65.976 1.00 0.00 WT3 H ATOM 39394 OH2 TIP3 2665 29.838 96.068 25.864 1.00 0.00 WT3 O ATOM 39395 H1 TIP3 2665 28.890 95.944 25.898 1.00 0.00 WT3 H ATOM 39396 H2 TIP3 2665 30.189 95.195 25.690 1.00 0.00 WT3 H ATOM 39397 OH2 TIP3 2667 42.917 78.723 14.943 1.00 0.00 WT3 O ATOM 39398 H1 TIP3 2667 43.335 77.903 15.204 1.00 0.00 WT3 H ATOM 39399 H2 TIP3 2667 42.698 78.598 14.020 1.00 0.00 WT3 H ATOM 39400 OH2 TIP3 2669 78.732 37.045 45.837 1.00 0.00 WT3 O ATOM 39401 H1 TIP3 2669 79.073 37.724 46.419 1.00 0.00 WT3 H ATOM 39402 H2 TIP3 2669 79.334 37.042 45.093 1.00 0.00 WT3 H ATOM 39403 OH2 TIP3 2670 75.227 17.019 51.644 1.00 0.00 WT3 O ATOM 39404 H1 TIP3 2670 74.944 16.854 52.543 1.00 0.00 WT3 H ATOM 39405 H2 TIP3 2670 74.790 16.344 51.126 1.00 0.00 WT3 H ATOM 39406 OH2 TIP3 2672 31.092 52.988 -2.639 1.00 0.00 WT3 O ATOM 39407 H1 TIP3 2672 30.453 52.498 -3.157 1.00 0.00 WT3 H ATOM 39408 H2 TIP3 2672 31.417 52.355 -1.999 1.00 0.00 WT3 H ATOM 39409 OH2 TIP3 2673 68.741 7.563 47.561 1.00 0.00 WT3 O ATOM 39410 H1 TIP3 2673 69.379 8.172 47.190 1.00 0.00 WT3 H ATOM 39411 H2 TIP3 2673 68.654 6.875 46.901 1.00 0.00 WT3 H ATOM 39412 OH2 TIP3 2675 39.816 38.807 28.819 1.00 0.00 WT3 O ATOM 39413 H1 TIP3 2675 40.241 38.565 27.996 1.00 0.00 WT3 H ATOM 39414 H2 TIP3 2675 40.527 39.143 29.366 1.00 0.00 WT3 H ATOM 39415 OH2 TIP3 2676 34.373 28.809 10.045 1.00 0.00 WT3 O ATOM 39416 H1 TIP3 2676 34.497 28.285 10.837 1.00 0.00 WT3 H ATOM 39417 H2 TIP3 2676 34.276 29.706 10.364 1.00 0.00 WT3 H ATOM 39418 OH2 TIP3 2677 84.045 7.492 -16.867 1.00 0.00 WT3 O ATOM 39419 H1 TIP3 2677 84.244 7.225 -15.969 1.00 0.00 WT3 H ATOM 39420 H2 TIP3 2677 84.117 8.447 -16.854 1.00 0.00 WT3 H ATOM 39421 OH2 TIP3 2678 30.301 21.635 6.688 1.00 0.00 WT3 O ATOM 39422 H1 TIP3 2678 31.129 21.976 7.026 1.00 0.00 WT3 H ATOM 39423 H2 TIP3 2678 29.888 22.387 6.263 1.00 0.00 WT3 H ATOM 39424 OH2 TIP3 2680 48.747 14.891 -5.121 1.00 0.00 WT3 O ATOM 39425 H1 TIP3 2680 47.959 15.432 -5.174 1.00 0.00 WT3 H ATOM 39426 H2 TIP3 2680 48.444 14.063 -4.748 1.00 0.00 WT3 H ATOM 39427 OH2 TIP3 2681 61.560 1.746 37.326 1.00 0.00 WT3 O ATOM 39428 H1 TIP3 2681 61.010 2.247 37.928 1.00 0.00 WT3 H ATOM 39429 H2 TIP3 2681 61.364 2.110 36.463 1.00 0.00 WT3 H ATOM 39430 OH2 TIP3 2682 85.801 62.321 31.867 1.00 0.00 WT3 O ATOM 39431 H1 TIP3 2682 85.125 62.865 32.272 1.00 0.00 WT3 H ATOM 39432 H2 TIP3 2682 85.704 62.477 30.928 1.00 0.00 WT3 H ATOM 39433 OH2 TIP3 2684 64.937 3.546 19.469 1.00 0.00 WT3 O ATOM 39434 H1 TIP3 2684 64.992 3.264 20.382 1.00 0.00 WT3 H ATOM 39435 H2 TIP3 2684 65.377 4.396 19.454 1.00 0.00 WT3 H ATOM 39436 OH2 TIP3 2685 56.197 13.370 38.514 1.00 0.00 WT3 O ATOM 39437 H1 TIP3 2685 56.490 12.721 39.154 1.00 0.00 WT3 H ATOM 39438 H2 TIP3 2685 55.365 13.026 38.188 1.00 0.00 WT3 H ATOM 39439 OH2 TIP3 2688 38.130 50.145 32.266 1.00 0.00 WT3 O ATOM 39440 H1 TIP3 2688 38.756 50.550 31.666 1.00 0.00 WT3 H ATOM 39441 H2 TIP3 2688 38.620 49.436 32.681 1.00 0.00 WT3 H ATOM 39442 OH2 TIP3 2689 52.245 52.071 48.176 1.00 0.00 WT3 O ATOM 39443 H1 TIP3 2689 52.467 52.770 47.560 1.00 0.00 WT3 H ATOM 39444 H2 TIP3 2689 52.065 51.311 47.622 1.00 0.00 WT3 H ATOM 39445 OH2 TIP3 2690 81.160 80.308 32.402 1.00 0.00 WT3 O ATOM 39446 H1 TIP3 2690 80.707 80.556 33.208 1.00 0.00 WT3 H ATOM 39447 H2 TIP3 2690 81.235 81.124 31.907 1.00 0.00 WT3 H ATOM 39448 OH2 TIP3 2691 72.412 34.549 37.051 1.00 0.00 WT3 O ATOM 39449 H1 TIP3 2691 73.361 34.514 37.174 1.00 0.00 WT3 H ATOM 39450 H2 TIP3 2691 72.279 34.299 36.137 1.00 0.00 WT3 H ATOM 39451 OH2 TIP3 2692 26.615 42.752 27.916 1.00 0.00 WT3 O ATOM 39452 H1 TIP3 2692 26.219 42.629 27.053 1.00 0.00 WT3 H ATOM 39453 H2 TIP3 2692 26.836 43.683 27.948 1.00 0.00 WT3 H ATOM 39454 OH2 TIP3 2693 68.369 65.193 60.280 1.00 0.00 WT3 O ATOM 39455 H1 TIP3 2693 68.532 64.650 61.051 1.00 0.00 WT3 H ATOM 39456 H2 TIP3 2693 69.084 64.979 59.680 1.00 0.00 WT3 H ATOM 39457 OH2 TIP3 2694 69.993 57.095 -10.899 1.00 0.00 WT3 O ATOM 39458 H1 TIP3 2694 69.228 56.942 -10.345 1.00 0.00 WT3 H ATOM 39459 H2 TIP3 2694 70.727 57.143 -10.287 1.00 0.00 WT3 H ATOM 39460 OH2 TIP3 2695 66.278 64.241 18.536 1.00 0.00 WT3 O ATOM 39461 H1 TIP3 2695 65.886 63.584 19.112 1.00 0.00 WT3 H ATOM 39462 H2 TIP3 2695 66.009 63.980 17.655 1.00 0.00 WT3 H ATOM 39463 OH2 TIP3 2697 79.752 67.498 -15.634 1.00 0.00 WT3 O ATOM 39464 H1 TIP3 2697 79.566 66.970 -16.410 1.00 0.00 WT3 H ATOM 39465 H2 TIP3 2697 79.768 66.868 -14.913 1.00 0.00 WT3 H ATOM 39466 OH2 TIP3 2698 65.608 25.189 48.118 1.00 0.00 WT3 O ATOM 39467 H1 TIP3 2698 64.894 25.815 48.240 1.00 0.00 WT3 H ATOM 39468 H2 TIP3 2698 66.232 25.645 47.553 1.00 0.00 WT3 H ATOM 39469 OH2 TIP3 2699 35.749 68.592 28.672 1.00 0.00 WT3 O ATOM 39470 H1 TIP3 2699 35.349 68.314 27.848 1.00 0.00 WT3 H ATOM 39471 H2 TIP3 2699 36.516 68.028 28.769 1.00 0.00 WT3 H ATOM 39472 OH2 TIP3 2701 86.177 64.199 -14.117 1.00 0.00 WT3 O ATOM 39473 H1 TIP3 2701 85.776 63.339 -14.242 1.00 0.00 WT3 H ATOM 39474 H2 TIP3 2701 85.493 64.726 -13.704 1.00 0.00 WT3 H ATOM 39475 OH2 TIP3 2702 86.699 74.637 54.515 1.00 0.00 WT3 O ATOM 39476 H1 TIP3 2702 86.347 75.388 54.037 1.00 0.00 WT3 H ATOM 39477 H2 TIP3 2702 87.541 74.941 54.853 1.00 0.00 WT3 H ATOM 39478 OH2 TIP3 2705 51.157 19.334 28.248 1.00 0.00 WT3 O ATOM 39479 H1 TIP3 2705 51.427 19.441 27.336 1.00 0.00 WT3 H ATOM 39480 H2 TIP3 2705 50.224 19.126 28.199 1.00 0.00 WT3 H ATOM 39481 OH2 TIP3 2706 47.019 64.041 12.850 1.00 0.00 WT3 O ATOM 39482 H1 TIP3 2706 47.601 64.755 12.590 1.00 0.00 WT3 H ATOM 39483 H2 TIP3 2706 47.584 63.268 12.872 1.00 0.00 WT3 H ATOM 39484 OH2 TIP3 2707 63.602 76.124 5.654 1.00 0.00 WT3 O ATOM 39485 H1 TIP3 2707 62.786 76.277 6.129 1.00 0.00 WT3 H ATOM 39486 H2 TIP3 2707 63.974 75.341 6.061 1.00 0.00 WT3 H ATOM 39487 OH2 TIP3 2709 55.054 57.239 1.501 1.00 0.00 WT3 O ATOM 39488 H1 TIP3 2709 54.674 56.914 2.318 1.00 0.00 WT3 H ATOM 39489 H2 TIP3 2709 54.857 58.175 1.501 1.00 0.00 WT3 H ATOM 39490 OH2 TIP3 2710 35.766 9.868 -5.796 1.00 0.00 WT3 O ATOM 39491 H1 TIP3 2710 35.837 10.577 -6.435 1.00 0.00 WT3 H ATOM 39492 H2 TIP3 2710 35.596 9.086 -6.322 1.00 0.00 WT3 H ATOM 39493 OH2 TIP3 2713 25.535 84.197 43.393 1.00 0.00 WT3 O ATOM 39494 H1 TIP3 2713 26.468 84.406 43.342 1.00 0.00 WT3 H ATOM 39495 H2 TIP3 2713 25.507 83.319 43.773 1.00 0.00 WT3 H ATOM 39496 OH2 TIP3 2714 80.228 52.172 -14.419 1.00 0.00 WT3 O ATOM 39497 H1 TIP3 2714 79.932 52.131 -15.328 1.00 0.00 WT3 H ATOM 39498 H2 TIP3 2714 79.849 51.395 -14.008 1.00 0.00 WT3 H ATOM 39499 OH2 TIP3 2715 27.702 37.935 46.668 1.00 0.00 WT3 O ATOM 39500 H1 TIP3 2715 27.354 37.253 46.093 1.00 0.00 WT3 H ATOM 39501 H2 TIP3 2715 28.492 38.243 46.225 1.00 0.00 WT3 H ATOM 39502 OH2 TIP3 2717 39.404 25.487 -19.126 1.00 0.00 WT3 O ATOM 39503 H1 TIP3 2717 39.270 26.267 -18.588 1.00 0.00 WT3 H ATOM 39504 H2 TIP3 2717 39.577 24.788 -18.495 1.00 0.00 WT3 H ATOM 39505 OH2 TIP3 2718 32.737 66.761 66.193 1.00 0.00 WT3 O ATOM 39506 H1 TIP3 2718 33.585 66.762 66.638 1.00 0.00 WT3 H ATOM 39507 H2 TIP3 2718 32.952 66.646 65.268 1.00 0.00 WT3 H ATOM 39508 OH2 TIP3 2719 69.372 76.730 18.818 1.00 0.00 WT3 O ATOM 39509 H1 TIP3 2719 69.339 76.270 17.980 1.00 0.00 WT3 H ATOM 39510 H2 TIP3 2719 70.271 77.054 18.879 1.00 0.00 WT3 H ATOM 39511 OH2 TIP3 2720 25.625 55.410 51.235 1.00 0.00 WT3 O ATOM 39512 H1 TIP3 2720 25.239 54.576 51.504 1.00 0.00 WT3 H ATOM 39513 H2 TIP3 2720 26.228 55.635 51.943 1.00 0.00 WT3 H ATOM 39514 OH2 TIP3 2723 55.288 36.623 12.299 1.00 0.00 WT3 O ATOM 39515 H1 TIP3 2723 54.445 37.055 12.158 1.00 0.00 WT3 H ATOM 39516 H2 TIP3 2723 55.221 36.248 13.177 1.00 0.00 WT3 H ATOM 39517 OH2 TIP3 2724 49.506 77.143 -7.036 1.00 0.00 WT3 O ATOM 39518 H1 TIP3 2724 49.757 78.004 -6.700 1.00 0.00 WT3 H ATOM 39519 H2 TIP3 2724 49.130 77.322 -7.897 1.00 0.00 WT3 H ATOM 39520 OH2 TIP3 2726 67.706 15.841 66.731 1.00 0.00 WT3 O ATOM 39521 H1 TIP3 2726 67.760 15.188 66.033 1.00 0.00 WT3 H ATOM 39522 H2 TIP3 2726 66.769 16.014 66.825 1.00 0.00 WT3 H ATOM 39523 OH2 TIP3 2727 29.214 86.598 59.975 1.00 0.00 WT3 O ATOM 39524 H1 TIP3 2727 29.797 85.877 59.735 1.00 0.00 WT3 H ATOM 39525 H2 TIP3 2727 28.340 86.209 59.975 1.00 0.00 WT3 H ATOM 39526 OH2 TIP3 2731 27.642 57.982 -10.947 1.00 0.00 WT3 O ATOM 39527 H1 TIP3 2731 27.835 57.236 -10.379 1.00 0.00 WT3 H ATOM 39528 H2 TIP3 2731 27.123 57.611 -11.661 1.00 0.00 WT3 H ATOM 39529 OH2 TIP3 2732 40.964 6.561 29.244 1.00 0.00 WT3 O ATOM 39530 H1 TIP3 2732 40.996 7.231 29.926 1.00 0.00 WT3 H ATOM 39531 H2 TIP3 2732 40.341 5.913 29.573 1.00 0.00 WT3 H ATOM 39532 OH2 TIP3 2734 62.503 92.171 49.571 1.00 0.00 WT3 O ATOM 39533 H1 TIP3 2734 62.549 91.735 50.422 1.00 0.00 WT3 H ATOM 39534 H2 TIP3 2734 61.673 91.877 49.195 1.00 0.00 WT3 H ATOM 39535 OH2 TIP3 2735 70.454 94.416 22.122 1.00 0.00 WT3 O ATOM 39536 H1 TIP3 2735 70.899 95.170 21.735 1.00 0.00 WT3 H ATOM 39537 H2 TIP3 2735 69.585 94.418 21.721 1.00 0.00 WT3 H ATOM 39538 OH2 TIP3 2736 55.405 79.237 48.251 1.00 0.00 WT3 O ATOM 39539 H1 TIP3 2736 55.568 78.296 48.176 1.00 0.00 WT3 H ATOM 39540 H2 TIP3 2736 55.314 79.537 47.347 1.00 0.00 WT3 H ATOM 39541 OH2 TIP3 2737 45.659 58.160 65.620 1.00 0.00 WT3 O ATOM 39542 H1 TIP3 2737 45.906 58.596 66.436 1.00 0.00 WT3 H ATOM 39543 H2 TIP3 2737 46.487 57.844 65.258 1.00 0.00 WT3 H ATOM 39544 OH2 TIP3 2738 68.188 69.986 10.585 1.00 0.00 WT3 O ATOM 39545 H1 TIP3 2738 67.977 69.099 10.295 1.00 0.00 WT3 H ATOM 39546 H2 TIP3 2738 67.564 70.545 10.121 1.00 0.00 WT3 H ATOM 39547 OH2 TIP3 2739 42.865 29.781 60.236 1.00 0.00 WT3 O ATOM 39548 H1 TIP3 2739 42.298 29.693 59.470 1.00 0.00 WT3 H ATOM 39549 H2 TIP3 2739 42.290 30.117 60.924 1.00 0.00 WT3 H ATOM 39550 OH2 TIP3 2740 52.105 71.339 -6.788 1.00 0.00 WT3 O ATOM 39551 H1 TIP3 2740 52.868 70.767 -6.708 1.00 0.00 WT3 H ATOM 39552 H2 TIP3 2740 51.410 70.878 -6.318 1.00 0.00 WT3 H ATOM 39553 OH2 TIP3 2741 83.435 89.032 57.130 1.00 0.00 WT3 O ATOM 39554 H1 TIP3 2741 84.096 88.371 56.926 1.00 0.00 WT3 H ATOM 39555 H2 TIP3 2741 83.032 88.726 57.942 1.00 0.00 WT3 H ATOM 39556 OH2 TIP3 2742 72.246 95.437 61.442 1.00 0.00 WT3 O ATOM 39557 H1 TIP3 2742 73.038 95.404 60.907 1.00 0.00 WT3 H ATOM 39558 H2 TIP3 2742 71.892 96.314 61.293 1.00 0.00 WT3 H ATOM 39559 OH2 TIP3 2743 25.652 37.706 -4.547 1.00 0.00 WT3 O ATOM 39560 H1 TIP3 2743 24.800 38.035 -4.832 1.00 0.00 WT3 H ATOM 39561 H2 TIP3 2743 26.104 37.475 -5.358 1.00 0.00 WT3 H ATOM 39562 OH2 TIP3 2746 23.237 74.181 26.408 1.00 0.00 WT3 O ATOM 39563 H1 TIP3 2746 22.516 73.806 26.914 1.00 0.00 WT3 H ATOM 39564 H2 TIP3 2746 23.722 73.422 26.083 1.00 0.00 WT3 H ATOM 39565 OH2 TIP3 2748 25.689 51.998 45.783 1.00 0.00 WT3 O ATOM 39566 H1 TIP3 2748 26.587 51.701 45.634 1.00 0.00 WT3 H ATOM 39567 H2 TIP3 2748 25.290 52.003 44.913 1.00 0.00 WT3 H ATOM 39568 OH2 TIP3 2752 45.506 66.888 56.292 1.00 0.00 WT3 O ATOM 39569 H1 TIP3 2752 46.314 66.621 56.730 1.00 0.00 WT3 H ATOM 39570 H2 TIP3 2752 45.439 66.305 55.535 1.00 0.00 WT3 H ATOM 39571 OH2 TIP3 2753 29.426 77.704 31.171 1.00 0.00 WT3 O ATOM 39572 H1 TIP3 2753 30.167 77.808 31.768 1.00 0.00 WT3 H ATOM 39573 H2 TIP3 2753 29.694 78.161 30.374 1.00 0.00 WT3 H ATOM 39574 OH2 TIP3 2754 21.649 20.841 60.629 1.00 0.00 WT3 O ATOM 39575 H1 TIP3 2754 21.133 21.583 60.945 1.00 0.00 WT3 H ATOM 39576 H2 TIP3 2754 22.517 21.207 60.459 1.00 0.00 WT3 H ATOM 39577 OH2 TIP3 2755 43.337 90.010 37.457 1.00 0.00 WT3 O ATOM 39578 H1 TIP3 2755 44.256 89.768 37.576 1.00 0.00 WT3 H ATOM 39579 H2 TIP3 2755 43.136 89.751 36.558 1.00 0.00 WT3 H ATOM 39580 OH2 TIP3 2756 48.719 49.375 65.036 1.00 0.00 WT3 O ATOM 39581 H1 TIP3 2756 48.632 49.440 64.085 1.00 0.00 WT3 H ATOM 39582 H2 TIP3 2756 48.017 48.781 65.302 1.00 0.00 WT3 H ATOM 39583 OH2 TIP3 2757 47.348 85.072 23.015 1.00 0.00 WT3 O ATOM 39584 H1 TIP3 2757 46.689 84.378 23.052 1.00 0.00 WT3 H ATOM 39585 H2 TIP3 2757 46.842 85.880 22.935 1.00 0.00 WT3 H ATOM 39586 OH2 TIP3 2758 76.241 30.626 49.749 1.00 0.00 WT3 O ATOM 39587 H1 TIP3 2758 76.925 29.978 49.918 1.00 0.00 WT3 H ATOM 39588 H2 TIP3 2758 75.538 30.128 49.330 1.00 0.00 WT3 H ATOM 39589 OH2 TIP3 2760 53.525 88.822 -13.748 1.00 0.00 WT3 O ATOM 39590 H1 TIP3 2760 54.016 88.016 -13.907 1.00 0.00 WT3 H ATOM 39591 H2 TIP3 2760 52.756 88.541 -13.252 1.00 0.00 WT3 H ATOM 39592 OH2 TIP3 2762 38.348 21.720 20.589 1.00 0.00 WT3 O ATOM 39593 H1 TIP3 2762 38.281 20.778 20.743 1.00 0.00 WT3 H ATOM 39594 H2 TIP3 2762 39.040 21.808 19.934 1.00 0.00 WT3 H ATOM 39595 OH2 TIP3 2763 70.593 88.174 22.678 1.00 0.00 WT3 O ATOM 39596 H1 TIP3 2763 70.682 88.006 23.616 1.00 0.00 WT3 H ATOM 39597 H2 TIP3 2763 70.753 87.325 22.266 1.00 0.00 WT3 H ATOM 39598 OH2 TIP3 2764 85.544 42.621 58.354 1.00 0.00 WT3 O ATOM 39599 H1 TIP3 2764 86.261 42.449 58.964 1.00 0.00 WT3 H ATOM 39600 H2 TIP3 2764 84.764 42.297 58.803 1.00 0.00 WT3 H ATOM 39601 OH2 TIP3 2765 38.493 62.608 52.202 1.00 0.00 WT3 O ATOM 39602 H1 TIP3 2765 37.569 62.357 52.175 1.00 0.00 WT3 H ATOM 39603 H2 TIP3 2765 38.551 63.231 52.926 1.00 0.00 WT3 H ATOM 39604 OH2 TIP3 2766 57.390 71.315 63.178 1.00 0.00 WT3 O ATOM 39605 H1 TIP3 2766 56.473 71.588 63.169 1.00 0.00 WT3 H ATOM 39606 H2 TIP3 2766 57.476 70.741 62.417 1.00 0.00 WT3 H ATOM 39607 OH2 TIP3 2768 58.186 9.144 36.567 1.00 0.00 WT3 O ATOM 39608 H1 TIP3 2768 57.750 8.626 35.891 1.00 0.00 WT3 H ATOM 39609 H2 TIP3 2768 58.807 9.691 36.088 1.00 0.00 WT3 H ATOM 39610 OH2 TIP3 2769 59.300 85.669 19.790 1.00 0.00 WT3 O ATOM 39611 H1 TIP3 2769 59.433 84.864 19.290 1.00 0.00 WT3 H ATOM 39612 H2 TIP3 2769 58.371 85.659 20.020 1.00 0.00 WT3 H ATOM 39613 OH2 TIP3 2771 69.411 83.995 12.918 1.00 0.00 WT3 O ATOM 39614 H1 TIP3 2771 69.082 84.620 12.272 1.00 0.00 WT3 H ATOM 39615 H2 TIP3 2771 69.014 83.160 12.668 1.00 0.00 WT3 H ATOM 39616 OH2 TIP3 2772 22.192 89.049 15.708 1.00 0.00 WT3 O ATOM 39617 H1 TIP3 2772 21.744 88.850 16.530 1.00 0.00 WT3 H ATOM 39618 H2 TIP3 2772 22.617 88.228 15.461 1.00 0.00 WT3 H ATOM 39619 OH2 TIP3 2774 31.030 93.396 15.417 1.00 0.00 WT3 O ATOM 39620 H1 TIP3 2774 31.062 92.805 16.170 1.00 0.00 WT3 H ATOM 39621 H2 TIP3 2774 31.883 93.293 14.996 1.00 0.00 WT3 H ATOM 39622 OH2 TIP3 2775 72.998 65.907 2.399 1.00 0.00 WT3 O ATOM 39623 H1 TIP3 2775 72.512 66.242 3.153 1.00 0.00 WT3 H ATOM 39624 H2 TIP3 2775 72.551 65.093 2.168 1.00 0.00 WT3 H ATOM 39625 OH2 TIP3 2776 59.363 74.196 40.972 1.00 0.00 WT3 O ATOM 39626 H1 TIP3 2776 59.668 73.841 41.807 1.00 0.00 WT3 H ATOM 39627 H2 TIP3 2776 58.789 73.517 40.618 1.00 0.00 WT3 H ATOM 39628 OH2 TIP3 2777 39.856 91.804 43.594 1.00 0.00 WT3 O ATOM 39629 H1 TIP3 2777 40.314 91.461 42.826 1.00 0.00 WT3 H ATOM 39630 H2 TIP3 2777 40.544 91.920 44.250 1.00 0.00 WT3 H ATOM 39631 OH2 TIP3 2778 86.565 34.683 24.852 1.00 0.00 WT3 O ATOM 39632 H1 TIP3 2778 86.284 34.253 24.045 1.00 0.00 WT3 H ATOM 39633 H2 TIP3 2778 86.262 35.587 24.761 1.00 0.00 WT3 H ATOM 39634 OH2 TIP3 2779 38.227 66.055 -19.387 1.00 0.00 WT3 O ATOM 39635 H1 TIP3 2779 37.651 66.100 -20.150 1.00 0.00 WT3 H ATOM 39636 H2 TIP3 2779 38.812 66.806 -19.482 1.00 0.00 WT3 H ATOM 39637 OH2 TIP3 2780 32.718 3.642 3.764 1.00 0.00 WT3 O ATOM 39638 H1 TIP3 2780 32.575 4.471 3.307 1.00 0.00 WT3 H ATOM 39639 H2 TIP3 2780 32.372 2.977 3.168 1.00 0.00 WT3 H ATOM 39640 OH2 TIP3 2782 48.383 6.963 21.944 1.00 0.00 WT3 O ATOM 39641 H1 TIP3 2782 47.526 6.537 21.937 1.00 0.00 WT3 H ATOM 39642 H2 TIP3 2782 49.011 6.241 21.958 1.00 0.00 WT3 H ATOM 39643 OH2 TIP3 2783 81.800 63.493 12.870 1.00 0.00 WT3 O ATOM 39644 H1 TIP3 2783 81.101 62.931 12.535 1.00 0.00 WT3 H ATOM 39645 H2 TIP3 2783 82.009 63.129 13.730 1.00 0.00 WT3 H ATOM 39646 OH2 TIP3 2784 51.307 78.403 17.914 1.00 0.00 WT3 O ATOM 39647 H1 TIP3 2784 52.192 78.048 17.999 1.00 0.00 WT3 H ATOM 39648 H2 TIP3 2784 51.340 79.243 18.372 1.00 0.00 WT3 H ATOM 39649 OH2 TIP3 2785 66.690 56.495 66.230 1.00 0.00 WT3 O ATOM 39650 H1 TIP3 2785 67.492 56.755 65.776 1.00 0.00 WT3 H ATOM 39651 H2 TIP3 2785 66.124 56.152 65.538 1.00 0.00 WT3 H ATOM 39652 OH2 TIP3 2786 38.417 46.973 38.165 1.00 0.00 WT3 O ATOM 39653 H1 TIP3 2786 38.659 46.576 37.329 1.00 0.00 WT3 H ATOM 39654 H2 TIP3 2786 39.062 46.638 38.787 1.00 0.00 WT3 H ATOM 39655 OH2 TIP3 2791 79.318 88.241 29.579 1.00 0.00 WT3 O ATOM 39656 H1 TIP3 2791 80.184 88.494 29.900 1.00 0.00 WT3 H ATOM 39657 H2 TIP3 2791 78.887 89.070 29.372 1.00 0.00 WT3 H ATOM 39658 OH2 TIP3 2792 82.107 29.949 19.180 1.00 0.00 WT3 O ATOM 39659 H1 TIP3 2792 82.861 29.770 19.741 1.00 0.00 WT3 H ATOM 39660 H2 TIP3 2792 81.692 30.717 19.573 1.00 0.00 WT3 H ATOM 39661 OH2 TIP3 2794 34.370 87.093 17.068 1.00 0.00 WT3 O ATOM 39662 H1 TIP3 2794 33.614 86.581 17.355 1.00 0.00 WT3 H ATOM 39663 H2 TIP3 2794 35.107 86.484 17.119 1.00 0.00 WT3 H ATOM 39664 OH2 TIP3 2795 32.800 5.825 -12.212 1.00 0.00 WT3 O ATOM 39665 H1 TIP3 2795 32.406 6.062 -13.052 1.00 0.00 WT3 H ATOM 39666 H2 TIP3 2795 33.613 6.330 -12.177 1.00 0.00 WT3 H ATOM 39667 OH2 TIP3 2797 70.880 76.922 -4.636 1.00 0.00 WT3 O ATOM 39668 H1 TIP3 2797 71.800 76.971 -4.893 1.00 0.00 WT3 H ATOM 39669 H2 TIP3 2797 70.690 77.780 -4.256 1.00 0.00 WT3 H ATOM 39670 OH2 TIP3 2799 62.473 33.101 -0.213 1.00 0.00 WT3 O ATOM 39671 H1 TIP3 2799 62.451 34.013 -0.503 1.00 0.00 WT3 H ATOM 39672 H2 TIP3 2799 61.668 32.991 0.294 1.00 0.00 WT3 H ATOM 39673 OH2 TIP3 2800 56.382 28.026 53.385 1.00 0.00 WT3 O ATOM 39674 H1 TIP3 2800 56.250 27.559 52.560 1.00 0.00 WT3 H ATOM 39675 H2 TIP3 2800 56.369 28.951 53.141 1.00 0.00 WT3 H ATOM 39676 OH2 TIP3 2801 41.833 11.167 4.414 1.00 0.00 WT3 O ATOM 39677 H1 TIP3 2801 42.211 11.079 5.289 1.00 0.00 WT3 H ATOM 39678 H2 TIP3 2801 40.887 11.156 4.558 1.00 0.00 WT3 H ATOM 39679 OH2 TIP3 2804 57.061 11.790 41.117 1.00 0.00 WT3 O ATOM 39680 H1 TIP3 2804 57.871 11.892 40.618 1.00 0.00 WT3 H ATOM 39681 H2 TIP3 2804 57.334 11.848 42.033 1.00 0.00 WT3 H ATOM 39682 OH2 TIP3 2805 64.467 73.822 55.309 1.00 0.00 WT3 O ATOM 39683 H1 TIP3 2805 63.553 73.667 55.549 1.00 0.00 WT3 H ATOM 39684 H2 TIP3 2805 64.419 74.348 54.510 1.00 0.00 WT3 H ATOM 39685 OH2 TIP3 2806 25.117 74.544 12.096 1.00 0.00 WT3 O ATOM 39686 H1 TIP3 2806 25.356 74.991 12.909 1.00 0.00 WT3 H ATOM 39687 H2 TIP3 2806 25.917 74.559 11.570 1.00 0.00 WT3 H ATOM 39688 OH2 TIP3 2808 55.422 35.877 -0.862 1.00 0.00 WT3 O ATOM 39689 H1 TIP3 2808 54.746 35.548 -0.269 1.00 0.00 WT3 H ATOM 39690 H2 TIP3 2808 54.973 36.529 -1.400 1.00 0.00 WT3 H ATOM 39691 OH2 TIP3 2809 23.288 81.257 12.359 1.00 0.00 WT3 O ATOM 39692 H1 TIP3 2809 22.685 81.919 12.019 1.00 0.00 WT3 H ATOM 39693 H2 TIP3 2809 22.973 81.079 13.246 1.00 0.00 WT3 H ATOM 39694 OH2 TIP3 2810 41.360 64.966 54.785 1.00 0.00 WT3 O ATOM 39695 H1 TIP3 2810 41.640 64.769 55.679 1.00 0.00 WT3 H ATOM 39696 H2 TIP3 2810 41.898 64.397 54.234 1.00 0.00 WT3 H ATOM 39697 OH2 TIP3 2811 27.563 71.335 19.538 1.00 0.00 WT3 O ATOM 39698 H1 TIP3 2811 28.453 71.184 19.219 1.00 0.00 WT3 H ATOM 39699 H2 TIP3 2811 27.512 70.834 20.352 1.00 0.00 WT3 H ATOM 39700 OH2 TIP3 2813 78.789 60.373 58.773 1.00 0.00 WT3 O ATOM 39701 H1 TIP3 2813 78.546 60.196 57.864 1.00 0.00 WT3 H ATOM 39702 H2 TIP3 2813 77.993 60.191 59.273 1.00 0.00 WT3 H ATOM 39703 OH2 TIP3 2815 47.693 54.055 56.873 1.00 0.00 WT3 O ATOM 39704 H1 TIP3 2815 47.344 53.668 56.070 1.00 0.00 WT3 H ATOM 39705 H2 TIP3 2815 48.496 54.497 56.597 1.00 0.00 WT3 H ATOM 39706 OH2 TIP3 2817 40.847 69.631 64.577 1.00 0.00 WT3 O ATOM 39707 H1 TIP3 2817 40.392 69.947 65.358 1.00 0.00 WT3 H ATOM 39708 H2 TIP3 2817 41.547 70.267 64.433 1.00 0.00 WT3 H ATOM 39709 OH2 TIP3 2818 21.042 65.495 46.906 1.00 0.00 WT3 O ATOM 39710 H1 TIP3 2818 21.690 64.795 46.821 1.00 0.00 WT3 H ATOM 39711 H2 TIP3 2818 21.526 66.225 47.291 1.00 0.00 WT3 H ATOM 39712 OH2 TIP3 2820 39.752 48.667 16.560 1.00 0.00 WT3 O ATOM 39713 H1 TIP3 2820 39.525 49.542 16.245 1.00 0.00 WT3 H ATOM 39714 H2 TIP3 2820 40.641 48.519 16.237 1.00 0.00 WT3 H ATOM 39715 OH2 TIP3 2821 27.213 65.360 11.632 1.00 0.00 WT3 O ATOM 39716 H1 TIP3 2821 27.561 64.814 12.337 1.00 0.00 WT3 H ATOM 39717 H2 TIP3 2821 27.951 65.910 11.367 1.00 0.00 WT3 H ATOM 39718 OH2 TIP3 2824 90.071 22.265 14.879 1.00 0.00 WT3 O ATOM 39719 H1 TIP3 2824 89.272 22.001 15.334 1.00 0.00 WT3 H ATOM 39720 H2 TIP3 2824 89.947 21.962 13.980 1.00 0.00 WT3 H ATOM 39721 OH2 TIP3 2825 69.861 81.604 -12.388 1.00 0.00 WT3 O ATOM 39722 H1 TIP3 2825 70.558 81.862 -12.992 1.00 0.00 WT3 H ATOM 39723 H2 TIP3 2825 70.318 81.379 -11.577 1.00 0.00 WT3 H ATOM 39724 OH2 TIP3 2826 81.795 79.281 46.708 1.00 0.00 WT3 O ATOM 39725 H1 TIP3 2826 82.648 79.420 46.296 1.00 0.00 WT3 H ATOM 39726 H2 TIP3 2826 81.178 79.255 45.977 1.00 0.00 WT3 H ATOM 39727 OH2 TIP3 2827 32.670 62.679 3.042 1.00 0.00 WT3 O ATOM 39728 H1 TIP3 2827 32.747 63.514 2.581 1.00 0.00 WT3 H ATOM 39729 H2 TIP3 2827 32.985 62.863 3.927 1.00 0.00 WT3 H ATOM 39730 OH2 TIP3 2829 23.588 51.651 39.162 1.00 0.00 WT3 O ATOM 39731 H1 TIP3 2829 23.358 52.577 39.094 1.00 0.00 WT3 H ATOM 39732 H2 TIP3 2829 23.479 51.443 40.089 1.00 0.00 WT3 H ATOM 39733 OH2 TIP3 2830 77.209 9.825 46.508 1.00 0.00 WT3 O ATOM 39734 H1 TIP3 2830 76.318 9.776 46.162 1.00 0.00 WT3 H ATOM 39735 H2 TIP3 2830 77.748 10.057 45.752 1.00 0.00 WT3 H ATOM 39736 OH2 TIP3 2831 76.495 88.034 -1.267 1.00 0.00 WT3 O ATOM 39737 H1 TIP3 2831 76.267 87.942 -0.342 1.00 0.00 WT3 H ATOM 39738 H2 TIP3 2831 77.188 88.695 -1.279 1.00 0.00 WT3 H ATOM 39739 OH2 TIP3 2832 32.462 40.812 16.571 1.00 0.00 WT3 O ATOM 39740 H1 TIP3 2832 33.361 40.948 16.871 1.00 0.00 WT3 H ATOM 39741 H2 TIP3 2832 31.964 40.645 17.371 1.00 0.00 WT3 H ATOM 39742 OH2 TIP3 2833 71.875 81.699 37.999 1.00 0.00 WT3 O ATOM 39743 H1 TIP3 2833 71.431 81.616 38.843 1.00 0.00 WT3 H ATOM 39744 H2 TIP3 2833 71.884 82.640 37.824 1.00 0.00 WT3 H ATOM 39745 OH2 TIP3 2834 25.714 61.706 5.671 1.00 0.00 WT3 O ATOM 39746 H1 TIP3 2834 25.483 62.197 6.460 1.00 0.00 WT3 H ATOM 39747 H2 TIP3 2834 26.095 62.360 5.085 1.00 0.00 WT3 H ATOM 39748 OH2 TIP3 2835 33.076 41.331 31.082 1.00 0.00 WT3 O ATOM 39749 H1 TIP3 2835 33.757 41.976 30.890 1.00 0.00 WT3 H ATOM 39750 H2 TIP3 2835 32.455 41.415 30.359 1.00 0.00 WT3 H ATOM 39751 OH2 TIP3 2836 69.140 92.046 44.855 1.00 0.00 WT3 O ATOM 39752 H1 TIP3 2836 68.873 91.273 45.352 1.00 0.00 WT3 H ATOM 39753 H2 TIP3 2836 68.346 92.577 44.793 1.00 0.00 WT3 H ATOM 39754 OH2 TIP3 2837 48.479 4.102 -6.126 1.00 0.00 WT3 O ATOM 39755 H1 TIP3 2837 48.818 4.740 -6.754 1.00 0.00 WT3 H ATOM 39756 H2 TIP3 2837 48.458 3.277 -6.609 1.00 0.00 WT3 H ATOM 39757 OH2 TIP3 2842 58.943 88.334 54.923 1.00 0.00 WT3 O ATOM 39758 H1 TIP3 2842 58.408 87.750 55.460 1.00 0.00 WT3 H ATOM 39759 H2 TIP3 2842 58.424 88.475 54.131 1.00 0.00 WT3 H ATOM 39760 OH2 TIP3 2843 66.192 95.967 52.814 1.00 0.00 WT3 O ATOM 39761 H1 TIP3 2843 65.999 95.044 52.653 1.00 0.00 WT3 H ATOM 39762 H2 TIP3 2843 66.874 95.957 53.486 1.00 0.00 WT3 H ATOM 39763 OH2 TIP3 2844 26.479 38.976 41.925 1.00 0.00 WT3 O ATOM 39764 H1 TIP3 2844 25.549 39.151 42.067 1.00 0.00 WT3 H ATOM 39765 H2 TIP3 2844 26.678 39.397 41.088 1.00 0.00 WT3 H ATOM 39766 OH2 TIP3 2845 55.676 32.442 -8.014 1.00 0.00 WT3 O ATOM 39767 H1 TIP3 2845 55.853 31.502 -8.054 1.00 0.00 WT3 H ATOM 39768 H2 TIP3 2845 55.610 32.634 -7.079 1.00 0.00 WT3 H ATOM 39769 OH2 TIP3 2846 23.453 75.992 24.422 1.00 0.00 WT3 O ATOM 39770 H1 TIP3 2846 23.324 75.327 25.099 1.00 0.00 WT3 H ATOM 39771 H2 TIP3 2846 24.303 76.382 24.627 1.00 0.00 WT3 H ATOM 39772 OH2 TIP3 2847 37.772 74.717 27.201 1.00 0.00 WT3 O ATOM 39773 H1 TIP3 2847 37.775 73.923 26.667 1.00 0.00 WT3 H ATOM 39774 H2 TIP3 2847 38.641 75.098 27.069 1.00 0.00 WT3 H ATOM 39775 OH2 TIP3 2849 65.857 25.745 23.848 1.00 0.00 WT3 O ATOM 39776 H1 TIP3 2849 65.411 26.384 23.291 1.00 0.00 WT3 H ATOM 39777 H2 TIP3 2849 65.277 24.984 23.851 1.00 0.00 WT3 H ATOM 39778 OH2 TIP3 2852 51.033 33.695 65.184 1.00 0.00 WT3 O ATOM 39779 H1 TIP3 2852 51.325 33.909 66.070 1.00 0.00 WT3 H ATOM 39780 H2 TIP3 2852 51.839 33.644 64.671 1.00 0.00 WT3 H ATOM 39781 OH2 TIP3 2855 87.843 9.989 65.202 1.00 0.00 WT3 O ATOM 39782 H1 TIP3 2855 87.520 10.317 64.363 1.00 0.00 WT3 H ATOM 39783 H2 TIP3 2855 88.781 10.181 65.189 1.00 0.00 WT3 H ATOM 39784 OH2 TIP3 2856 76.262 93.177 56.135 1.00 0.00 WT3 O ATOM 39785 H1 TIP3 2856 76.465 93.094 55.203 1.00 0.00 WT3 H ATOM 39786 H2 TIP3 2856 76.590 94.043 56.376 1.00 0.00 WT3 H ATOM 39787 OH2 TIP3 2857 61.095 11.891 63.937 1.00 0.00 WT3 O ATOM 39788 H1 TIP3 2857 60.271 11.812 64.416 1.00 0.00 WT3 H ATOM 39789 H2 TIP3 2857 61.673 12.372 64.530 1.00 0.00 WT3 H ATOM 39790 OH2 TIP3 2862 25.495 35.090 35.703 1.00 0.00 WT3 O ATOM 39791 H1 TIP3 2862 25.204 35.076 34.792 1.00 0.00 WT3 H ATOM 39792 H2 TIP3 2862 25.071 35.861 36.079 1.00 0.00 WT3 H ATOM 39793 OH2 TIP3 2865 82.342 79.737 -4.999 1.00 0.00 WT3 O ATOM 39794 H1 TIP3 2865 81.681 80.402 -5.190 1.00 0.00 WT3 H ATOM 39795 H2 TIP3 2865 82.748 80.029 -4.183 1.00 0.00 WT3 H ATOM 39796 OH2 TIP3 2866 71.190 86.252 58.029 1.00 0.00 WT3 O ATOM 39797 H1 TIP3 2866 71.093 85.632 58.752 1.00 0.00 WT3 H ATOM 39798 H2 TIP3 2866 70.883 85.772 57.260 1.00 0.00 WT3 H ATOM 39799 OH2 TIP3 2868 73.712 91.098 9.398 1.00 0.00 WT3 O ATOM 39800 H1 TIP3 2868 72.930 91.644 9.309 1.00 0.00 WT3 H ATOM 39801 H2 TIP3 2868 74.437 91.678 9.163 1.00 0.00 WT3 H ATOM 39802 OH2 TIP3 2872 53.716 77.150 27.071 1.00 0.00 WT3 O ATOM 39803 H1 TIP3 2872 54.128 76.936 26.234 1.00 0.00 WT3 H ATOM 39804 H2 TIP3 2872 53.581 76.302 27.495 1.00 0.00 WT3 H ATOM 39805 OH2 TIP3 2873 48.546 12.276 31.482 1.00 0.00 WT3 O ATOM 39806 H1 TIP3 2873 47.835 11.658 31.313 1.00 0.00 WT3 H ATOM 39807 H2 TIP3 2873 49.070 12.264 30.681 1.00 0.00 WT3 H ATOM 39808 OH2 TIP3 2874 83.329 88.708 -13.662 1.00 0.00 WT3 O ATOM 39809 H1 TIP3 2874 84.195 88.482 -13.323 1.00 0.00 WT3 H ATOM 39810 H2 TIP3 2874 83.396 88.565 -14.606 1.00 0.00 WT3 H ATOM 39811 OH2 TIP3 2875 53.918 96.594 59.465 1.00 0.00 WT3 O ATOM 39812 H1 TIP3 2875 54.548 96.505 58.751 1.00 0.00 WT3 H ATOM 39813 H2 TIP3 2875 53.714 95.695 59.721 1.00 0.00 WT3 H ATOM 39814 OH2 TIP3 2876 25.153 53.426 36.737 1.00 0.00 WT3 O ATOM 39815 H1 TIP3 2876 24.253 53.627 36.479 1.00 0.00 WT3 H ATOM 39816 H2 TIP3 2876 25.263 52.500 36.521 1.00 0.00 WT3 H ATOM 39817 OH2 TIP3 2877 55.967 75.689 -14.550 1.00 0.00 WT3 O ATOM 39818 H1 TIP3 2877 56.779 75.885 -14.083 1.00 0.00 WT3 H ATOM 39819 H2 TIP3 2877 55.909 74.734 -14.542 1.00 0.00 WT3 H ATOM 39820 OH2 TIP3 2878 22.912 52.923 60.461 1.00 0.00 WT3 O ATOM 39821 H1 TIP3 2878 22.322 53.135 59.737 1.00 0.00 WT3 H ATOM 39822 H2 TIP3 2878 22.332 52.784 61.209 1.00 0.00 WT3 H ATOM 39823 OH2 TIP3 2885 25.112 48.391 29.450 1.00 0.00 WT3 O ATOM 39824 H1 TIP3 2885 25.290 49.241 29.049 1.00 0.00 WT3 H ATOM 39825 H2 TIP3 2885 24.238 48.483 29.831 1.00 0.00 WT3 H ATOM 39826 OH2 TIP3 2889 68.350 30.302 -4.547 1.00 0.00 WT3 O ATOM 39827 H1 TIP3 2889 67.979 29.534 -4.981 1.00 0.00 WT3 H ATOM 39828 H2 TIP3 2889 68.177 30.160 -3.617 1.00 0.00 WT3 H ATOM 39829 OH2 TIP3 2895 39.313 75.341 -7.737 1.00 0.00 WT3 O ATOM 39830 H1 TIP3 2895 39.439 74.588 -7.160 1.00 0.00 WT3 H ATOM 39831 H2 TIP3 2895 39.906 76.009 -7.394 1.00 0.00 WT3 H ATOM 39832 OH2 TIP3 2907 85.333 54.621 47.596 1.00 0.00 WT3 O ATOM 39833 H1 TIP3 2907 85.810 54.614 46.766 1.00 0.00 WT3 H ATOM 39834 H2 TIP3 2907 85.879 54.106 48.191 1.00 0.00 WT3 H ATOM 39835 OH2 TIP3 2910 21.444 60.564 60.719 1.00 0.00 WT3 O ATOM 39836 H1 TIP3 2910 21.076 61.409 60.977 1.00 0.00 WT3 H ATOM 39837 H2 TIP3 2910 21.884 60.737 59.887 1.00 0.00 WT3 H ATOM 39838 OH2 TIP3 2913 23.817 67.664 34.070 1.00 0.00 WT3 O ATOM 39839 H1 TIP3 2913 23.638 67.715 33.131 1.00 0.00 WT3 H ATOM 39840 H2 TIP3 2913 24.365 66.886 34.168 1.00 0.00 WT3 H ATOM 39841 OH2 TIP3 2926 90.255 40.623 -10.078 1.00 0.00 WT3 O ATOM 39842 H1 TIP3 2926 90.407 40.705 -9.136 1.00 0.00 WT3 H ATOM 39843 H2 TIP3 2926 89.814 39.780 -10.177 1.00 0.00 WT3 H ATOM 39844 OH2 TIP3 2944 78.275 87.240 -4.124 1.00 0.00 WT3 O ATOM 39845 H1 TIP3 2944 78.234 86.412 -4.602 1.00 0.00 WT3 H ATOM 39846 H2 TIP3 2944 79.179 87.293 -3.812 1.00 0.00 WT3 H ATOM 39847 OH2 TIP3 2957 29.511 71.424 23.127 1.00 0.00 WT3 O ATOM 39848 H1 TIP3 2957 29.221 70.537 22.916 1.00 0.00 WT3 H ATOM 39849 H2 TIP3 2957 28.831 71.769 23.706 1.00 0.00 WT3 H ATOM 39850 OH2 TIP3 3010 89.846 41.022 52.130 1.00 0.00 WT3 O ATOM 39851 H1 TIP3 3010 89.204 41.687 52.379 1.00 0.00 WT3 H ATOM 39852 H2 TIP3 3010 90.435 40.964 52.883 1.00 0.00 WT3 H ATOM 39853 OH2 TIP3 3012 69.129 80.388 65.661 1.00 0.00 WT3 O ATOM 39854 H1 TIP3 3012 68.470 80.836 65.131 1.00 0.00 WT3 H ATOM 39855 H2 TIP3 3012 69.332 79.592 65.169 1.00 0.00 WT3 H ATOM 39856 OH2 TIP3 3016 48.615 80.300 8.394 1.00 0.00 WT3 O ATOM 39857 H1 TIP3 3016 49.233 79.939 7.759 1.00 0.00 WT3 H ATOM 39858 H2 TIP3 3016 48.066 79.558 8.645 1.00 0.00 WT3 H ATOM 39859 OH2 TIP3 3024 76.114 36.888 34.896 1.00 0.00 WT3 O ATOM 39860 H1 TIP3 3024 76.162 37.748 35.314 1.00 0.00 WT3 H ATOM 39861 H2 TIP3 3024 76.190 36.266 35.620 1.00 0.00 WT3 H ATOM 39862 OH2 TIP3 3027 50.566 21.659 -8.365 1.00 0.00 WT3 O ATOM 39863 H1 TIP3 3027 51.154 20.910 -8.462 1.00 0.00 WT3 H ATOM 39864 H2 TIP3 3027 50.059 21.672 -9.177 1.00 0.00 WT3 H ATOM 39865 OH2 TIP3 3030 45.541 92.750 -5.800 1.00 0.00 WT3 O ATOM 39866 H1 TIP3 3030 46.409 92.468 -6.089 1.00 0.00 WT3 H ATOM 39867 H2 TIP3 3030 44.936 92.156 -6.243 1.00 0.00 WT3 H ATOM 39868 OH2 TIP3 3037 75.308 70.418 33.139 1.00 0.00 WT3 O ATOM 39869 H1 TIP3 3037 74.449 70.669 33.478 1.00 0.00 WT3 H ATOM 39870 H2 TIP3 3037 75.422 69.511 33.420 1.00 0.00 WT3 H ATOM 39871 OH2 TIP3 3042 24.322 82.174 66.561 1.00 0.00 WT3 O ATOM 39872 H1 TIP3 3042 23.843 82.534 65.814 1.00 0.00 WT3 H ATOM 39873 H2 TIP3 3042 25.008 81.634 66.168 1.00 0.00 WT3 H ATOM 39874 OH2 TIP3 3046 50.257 92.404 -12.429 1.00 0.00 WT3 O ATOM 39875 H1 TIP3 3046 50.814 91.635 -12.551 1.00 0.00 WT3 H ATOM 39876 H2 TIP3 3046 50.303 92.869 -13.264 1.00 0.00 WT3 H ATOM 39877 OH2 TIP3 3049 62.032 74.444 23.209 1.00 0.00 WT3 O ATOM 39878 H1 TIP3 3049 61.776 73.995 24.014 1.00 0.00 WT3 H ATOM 39879 H2 TIP3 3049 61.404 75.162 23.125 1.00 0.00 WT3 H ATOM 39880 OH2 TIP3 3050 62.784 47.429 56.426 1.00 0.00 WT3 O ATOM 39881 H1 TIP3 3050 63.215 47.293 55.582 1.00 0.00 WT3 H ATOM 39882 H2 TIP3 3050 63.411 47.943 56.935 1.00 0.00 WT3 H ATOM 39883 OH2 TIP3 3053 51.960 41.101 55.790 1.00 0.00 WT3 O ATOM 39884 H1 TIP3 3053 51.632 41.966 56.036 1.00 0.00 WT3 H ATOM 39885 H2 TIP3 3053 52.593 40.881 56.474 1.00 0.00 WT3 H ATOM 39886 OH2 TIP3 3057 49.483 74.658 -16.606 1.00 0.00 WT3 O ATOM 39887 H1 TIP3 3057 48.540 74.553 -16.738 1.00 0.00 WT3 H ATOM 39888 H2 TIP3 3057 49.716 75.420 -17.135 1.00 0.00 WT3 H ATOM 39889 OH2 TIP3 3059 58.620 1.418 13.408 1.00 0.00 WT3 O ATOM 39890 H1 TIP3 3059 59.206 1.346 14.162 1.00 0.00 WT3 H ATOM 39891 H2 TIP3 3059 58.311 2.324 13.431 1.00 0.00 WT3 H ATOM 39892 OH2 TIP3 3066 61.795 79.793 27.900 1.00 0.00 WT3 O ATOM 39893 H1 TIP3 3066 62.651 79.696 28.318 1.00 0.00 WT3 H ATOM 39894 H2 TIP3 3066 61.994 80.091 27.013 1.00 0.00 WT3 H ATOM 39895 OH2 TIP3 3070 82.038 95.697 59.433 1.00 0.00 WT3 O ATOM 39896 H1 TIP3 3070 82.532 96.083 58.709 1.00 0.00 WT3 H ATOM 39897 H2 TIP3 3070 82.669 95.638 60.150 1.00 0.00 WT3 H ATOM 39898 OH2 TIP3 3071 36.139 75.797 61.668 1.00 0.00 WT3 O ATOM 39899 H1 TIP3 3071 35.970 76.081 62.566 1.00 0.00 WT3 H ATOM 39900 H2 TIP3 3071 35.735 74.931 61.610 1.00 0.00 WT3 H ATOM 39901 OH2 TIP3 3072 60.856 30.559 -18.336 1.00 0.00 WT3 O ATOM 39902 H1 TIP3 3072 60.246 31.263 -18.119 1.00 0.00 WT3 H ATOM 39903 H2 TIP3 3072 61.026 30.123 -17.501 1.00 0.00 WT3 H ATOM 39904 OH2 TIP3 3073 64.746 67.037 50.468 1.00 0.00 WT3 O ATOM 39905 H1 TIP3 3073 63.867 67.019 50.090 1.00 0.00 WT3 H ATOM 39906 H2 TIP3 3073 65.284 67.470 49.806 1.00 0.00 WT3 H ATOM 39907 OH2 TIP3 3079 45.796 41.032 36.335 1.00 0.00 WT3 O ATOM 39908 H1 TIP3 3079 45.921 40.149 35.986 1.00 0.00 WT3 H ATOM 39909 H2 TIP3 3079 45.508 41.548 35.582 1.00 0.00 WT3 H ATOM 39910 OH2 TIP3 3080 64.742 59.719 62.887 1.00 0.00 WT3 O ATOM 39911 H1 TIP3 3080 64.892 58.836 62.549 1.00 0.00 WT3 H ATOM 39912 H2 TIP3 3080 63.822 59.897 62.690 1.00 0.00 WT3 H ATOM 39913 OH2 TIP3 3081 57.379 9.033 -17.247 1.00 0.00 WT3 O ATOM 39914 H1 TIP3 3081 58.330 8.982 -17.154 1.00 0.00 WT3 H ATOM 39915 H2 TIP3 3081 57.206 9.953 -17.443 1.00 0.00 WT3 H ATOM 39916 OH2 TIP3 3084 47.837 1.914 13.607 1.00 0.00 WT3 O ATOM 39917 H1 TIP3 3084 48.714 2.263 13.769 1.00 0.00 WT3 H ATOM 39918 H2 TIP3 3084 47.334 2.664 13.290 1.00 0.00 WT3 H ATOM 39919 OH2 TIP3 3085 29.192 78.547 62.834 1.00 0.00 WT3 O ATOM 39920 H1 TIP3 3085 28.705 78.805 63.617 1.00 0.00 WT3 H ATOM 39921 H2 TIP3 3085 30.026 78.218 63.167 1.00 0.00 WT3 H ATOM 39922 OH2 TIP3 3086 47.462 90.739 -15.586 1.00 0.00 WT3 O ATOM 39923 H1 TIP3 3086 47.902 91.491 -15.983 1.00 0.00 WT3 H ATOM 39924 H2 TIP3 3086 46.768 90.514 -16.205 1.00 0.00 WT3 H ATOM 39925 OH2 TIP3 3091 46.076 75.558 67.360 1.00 0.00 WT3 O ATOM 39926 H1 TIP3 3091 46.490 75.067 66.650 1.00 0.00 WT3 H ATOM 39927 H2 TIP3 3091 45.895 76.419 66.983 1.00 0.00 WT3 H ATOM 39928 OH2 TIP3 3092 73.530 76.161 44.186 1.00 0.00 WT3 O ATOM 39929 H1 TIP3 3092 73.472 76.709 43.403 1.00 0.00 WT3 H ATOM 39930 H2 TIP3 3092 73.853 75.319 43.866 1.00 0.00 WT3 H ATOM 39931 OH2 TIP3 3095 76.911 18.415 59.695 1.00 0.00 WT3 O ATOM 39932 H1 TIP3 3095 77.003 19.274 60.107 1.00 0.00 WT3 H ATOM 39933 H2 TIP3 3095 76.611 18.607 58.806 1.00 0.00 WT3 H ATOM 39934 OH2 TIP3 3096 80.049 44.602 -2.692 1.00 0.00 WT3 O ATOM 39935 H1 TIP3 3096 79.223 44.645 -2.211 1.00 0.00 WT3 H ATOM 39936 H2 TIP3 3096 79.894 45.117 -3.483 1.00 0.00 WT3 H ATOM 39937 OH2 TIP3 3099 52.898 80.791 52.605 1.00 0.00 WT3 O ATOM 39938 H1 TIP3 3099 52.907 81.225 51.752 1.00 0.00 WT3 H ATOM 39939 H2 TIP3 3099 53.015 79.863 52.403 1.00 0.00 WT3 H ATOM 39940 OH2 TIP3 3101 78.566 66.022 -7.977 1.00 0.00 WT3 O ATOM 39941 H1 TIP3 3101 78.335 65.880 -7.059 1.00 0.00 WT3 H ATOM 39942 H2 TIP3 3101 78.158 66.858 -8.201 1.00 0.00 WT3 H ATOM 39943 OH2 TIP3 3103 85.172 63.192 45.046 1.00 0.00 WT3 O ATOM 39944 H1 TIP3 3103 85.191 63.153 44.090 1.00 0.00 WT3 H ATOM 39945 H2 TIP3 3103 85.718 62.458 45.327 1.00 0.00 WT3 H ATOM 39946 OH2 TIP3 3104 46.602 87.611 40.396 1.00 0.00 WT3 O ATOM 39947 H1 TIP3 3104 46.105 87.505 41.207 1.00 0.00 WT3 H ATOM 39948 H2 TIP3 3104 46.954 86.739 40.214 1.00 0.00 WT3 H ATOM 39949 OH2 TIP3 3105 54.496 6.832 53.346 1.00 0.00 WT3 O ATOM 39950 H1 TIP3 3105 54.296 6.207 54.044 1.00 0.00 WT3 H ATOM 39951 H2 TIP3 3105 55.095 6.360 52.767 1.00 0.00 WT3 H ATOM 39952 OH2 TIP3 3107 68.021 50.413 0.699 1.00 0.00 WT3 O ATOM 39953 H1 TIP3 3107 68.025 51.076 1.390 1.00 0.00 WT3 H ATOM 39954 H2 TIP3 3107 67.480 50.792 0.006 1.00 0.00 WT3 H ATOM 39955 OH2 TIP3 3108 78.043 37.284 -6.563 1.00 0.00 WT3 O ATOM 39956 H1 TIP3 3108 78.284 37.005 -5.680 1.00 0.00 WT3 H ATOM 39957 H2 TIP3 3108 77.262 37.823 -6.440 1.00 0.00 WT3 H ATOM 39958 OH2 TIP3 3109 89.574 7.552 -9.526 1.00 0.00 WT3 O ATOM 39959 H1 TIP3 3109 89.945 7.310 -8.678 1.00 0.00 WT3 H ATOM 39960 H2 TIP3 3109 90.260 7.336 -10.158 1.00 0.00 WT3 H ATOM 39961 OH2 TIP3 3111 73.667 80.642 -18.973 1.00 0.00 WT3 O ATOM 39962 H1 TIP3 3111 74.242 81.232 -18.486 1.00 0.00 WT3 H ATOM 39963 H2 TIP3 3111 73.561 81.062 -19.827 1.00 0.00 WT3 H ATOM 39964 OH2 TIP3 3112 29.182 51.156 -10.516 1.00 0.00 WT3 O ATOM 39965 H1 TIP3 3112 29.576 51.194 -11.388 1.00 0.00 WT3 H ATOM 39966 H2 TIP3 3112 28.372 50.663 -10.640 1.00 0.00 WT3 H ATOM 39967 OH2 TIP3 3113 27.286 65.494 -2.065 1.00 0.00 WT3 O ATOM 39968 H1 TIP3 3113 26.858 66.349 -2.100 1.00 0.00 WT3 H ATOM 39969 H2 TIP3 3113 27.005 65.118 -1.231 1.00 0.00 WT3 H ATOM 39970 OH2 TIP3 3114 61.864 86.258 21.094 1.00 0.00 WT3 O ATOM 39971 H1 TIP3 3114 60.913 86.320 20.999 1.00 0.00 WT3 H ATOM 39972 H2 TIP3 3114 61.994 85.632 21.807 1.00 0.00 WT3 H ATOM 39973 OH2 TIP3 3115 29.498 78.871 -18.609 1.00 0.00 WT3 O ATOM 39974 H1 TIP3 3115 29.632 79.296 -17.762 1.00 0.00 WT3 H ATOM 39975 H2 TIP3 3115 28.561 78.676 -18.635 1.00 0.00 WT3 H ATOM 39976 OH2 TIP3 3116 81.709 43.819 -16.970 1.00 0.00 WT3 O ATOM 39977 H1 TIP3 3116 81.440 44.597 -17.458 1.00 0.00 WT3 H ATOM 39978 H2 TIP3 3116 82.631 43.697 -17.200 1.00 0.00 WT3 H ATOM 39979 OH2 TIP3 3119 71.822 83.817 13.718 1.00 0.00 WT3 O ATOM 39980 H1 TIP3 3119 72.295 83.094 13.307 1.00 0.00 WT3 H ATOM 39981 H2 TIP3 3119 70.980 83.842 13.263 1.00 0.00 WT3 H ATOM 39982 OH2 TIP3 3121 79.286 7.571 -4.608 1.00 0.00 WT3 O ATOM 39983 H1 TIP3 3121 78.357 7.613 -4.379 1.00 0.00 WT3 H ATOM 39984 H2 TIP3 3121 79.702 8.224 -4.046 1.00 0.00 WT3 H ATOM 39985 OH2 TIP3 3124 50.963 16.666 11.304 1.00 0.00 WT3 O ATOM 39986 H1 TIP3 3124 51.706 16.909 11.856 1.00 0.00 WT3 H ATOM 39987 H2 TIP3 3124 50.461 16.049 11.836 1.00 0.00 WT3 H ATOM 39988 OH2 TIP3 3129 27.193 90.047 -16.505 1.00 0.00 WT3 O ATOM 39989 H1 TIP3 3129 26.754 89.997 -17.353 1.00 0.00 WT3 H ATOM 39990 H2 TIP3 3129 26.817 89.328 -15.997 1.00 0.00 WT3 H ATOM 39991 OH2 TIP3 3131 41.665 9.706 11.627 1.00 0.00 WT3 O ATOM 39992 H1 TIP3 3131 42.415 9.835 12.207 1.00 0.00 WT3 H ATOM 39993 H2 TIP3 3131 40.909 9.982 12.146 1.00 0.00 WT3 H ATOM 39994 OH2 TIP3 3133 33.809 77.981 -5.600 1.00 0.00 WT3 O ATOM 39995 H1 TIP3 3133 33.441 77.813 -6.468 1.00 0.00 WT3 H ATOM 39996 H2 TIP3 3133 33.162 77.623 -4.992 1.00 0.00 WT3 H ATOM 39997 OH2 TIP3 3134 32.380 96.666 59.067 1.00 0.00 WT3 O ATOM 39998 H1 TIP3 3134 33.329 96.635 59.191 1.00 0.00 WT3 H ATOM 39999 H2 TIP3 3134 32.143 95.776 58.807 1.00 0.00 WT3 H ATOM 40000 OH2 TIP3 3136 31.298 85.364 43.843 1.00 0.00 WT3 O ATOM 40001 H1 TIP3 3136 30.966 84.857 44.584 1.00 0.00 WT3 H ATOM 40002 H2 TIP3 3136 32.238 85.181 43.829 1.00 0.00 WT3 H ATOM 40003 OH2 TIP3 3138 32.453 64.125 15.294 1.00 0.00 WT3 O ATOM 40004 H1 TIP3 3138 33.333 63.788 15.124 1.00 0.00 WT3 H ATOM 40005 H2 TIP3 3138 31.983 63.995 14.471 1.00 0.00 WT3 H ATOM 40006 OH2 TIP3 3139 20.998 14.575 -14.981 1.00 0.00 WT3 O ATOM 40007 H1 TIP3 3139 21.014 13.623 -14.879 1.00 0.00 WT3 H ATOM 40008 H2 TIP3 3139 21.568 14.900 -14.284 1.00 0.00 WT3 H ATOM 40009 OH2 TIP3 3140 30.642 55.332 63.877 1.00 0.00 WT3 O ATOM 40010 H1 TIP3 3140 31.168 55.146 64.654 1.00 0.00 WT3 H ATOM 40011 H2 TIP3 3140 29.736 55.242 64.172 1.00 0.00 WT3 H ATOM 40012 OH2 TIP3 3141 54.939 59.103 12.517 1.00 0.00 WT3 O ATOM 40013 H1 TIP3 3141 54.266 59.083 13.197 1.00 0.00 WT3 H ATOM 40014 H2 TIP3 3141 55.697 59.504 12.941 1.00 0.00 WT3 H ATOM 40015 OH2 TIP3 3143 73.911 76.942 -0.342 1.00 0.00 WT3 O ATOM 40016 H1 TIP3 3143 73.019 76.617 -0.222 1.00 0.00 WT3 H ATOM 40017 H2 TIP3 3143 74.402 76.573 0.392 1.00 0.00 WT3 H ATOM 40018 OH2 TIP3 3144 66.075 65.603 31.690 1.00 0.00 WT3 O ATOM 40019 H1 TIP3 3144 65.930 66.273 31.021 1.00 0.00 WT3 H ATOM 40020 H2 TIP3 3144 66.791 65.070 31.345 1.00 0.00 WT3 H ATOM 40021 OH2 TIP3 3150 63.011 51.177 7.774 1.00 0.00 WT3 O ATOM 40022 H1 TIP3 3150 62.205 51.571 8.108 1.00 0.00 WT3 H ATOM 40023 H2 TIP3 3150 63.641 51.276 8.488 1.00 0.00 WT3 H ATOM 40024 OH2 TIP3 3152 58.835 68.001 55.823 1.00 0.00 WT3 O ATOM 40025 H1 TIP3 3152 59.213 67.170 55.536 1.00 0.00 WT3 H ATOM 40026 H2 TIP3 3152 58.402 67.795 56.651 1.00 0.00 WT3 H ATOM 40027 OH2 TIP3 3154 71.477 93.045 5.116 1.00 0.00 WT3 O ATOM 40028 H1 TIP3 3154 70.760 92.875 5.727 1.00 0.00 WT3 H ATOM 40029 H2 TIP3 3154 71.798 92.175 4.877 1.00 0.00 WT3 H ATOM 40030 OH2 TIP3 3155 65.084 10.596 40.619 1.00 0.00 WT3 O ATOM 40031 H1 TIP3 3155 64.683 10.022 39.966 1.00 0.00 WT3 H ATOM 40032 H2 TIP3 3155 65.785 11.045 40.145 1.00 0.00 WT3 H ATOM 40033 OH2 TIP3 3156 27.574 71.411 -1.503 1.00 0.00 WT3 O ATOM 40034 H1 TIP3 3156 27.298 70.932 -0.721 1.00 0.00 WT3 H ATOM 40035 H2 TIP3 3156 27.997 72.200 -1.164 1.00 0.00 WT3 H ATOM 40036 OH2 TIP3 3157 23.702 32.857 -13.220 1.00 0.00 WT3 O ATOM 40037 H1 TIP3 3157 24.077 33.499 -12.617 1.00 0.00 WT3 H ATOM 40038 H2 TIP3 3157 24.368 32.173 -13.286 1.00 0.00 WT3 H ATOM 40039 OH2 TIP3 3158 40.206 47.489 0.974 1.00 0.00 WT3 O ATOM 40040 H1 TIP3 3158 39.802 46.654 1.209 1.00 0.00 WT3 H ATOM 40041 H2 TIP3 3158 39.915 48.096 1.654 1.00 0.00 WT3 H ATOM 40042 OH2 TIP3 3160 37.391 57.670 17.478 1.00 0.00 WT3 O ATOM 40043 H1 TIP3 3160 37.333 56.838 17.946 1.00 0.00 WT3 H ATOM 40044 H2 TIP3 3160 38.183 58.084 17.822 1.00 0.00 WT3 H ATOM 40045 OH2 TIP3 3161 81.131 44.674 16.471 1.00 0.00 WT3 O ATOM 40046 H1 TIP3 3161 80.403 44.258 16.008 1.00 0.00 WT3 H ATOM 40047 H2 TIP3 3161 80.715 45.320 17.041 1.00 0.00 WT3 H ATOM 40048 OH2 TIP3 3162 81.405 37.196 58.096 1.00 0.00 WT3 O ATOM 40049 H1 TIP3 3162 80.971 36.510 57.588 1.00 0.00 WT3 H ATOM 40050 H2 TIP3 3162 81.387 36.875 58.998 1.00 0.00 WT3 H ATOM 40051 OH2 TIP3 3164 42.205 8.564 -1.487 1.00 0.00 WT3 O ATOM 40052 H1 TIP3 3164 43.089 8.228 -1.635 1.00 0.00 WT3 H ATOM 40053 H2 TIP3 3164 41.667 8.122 -2.145 1.00 0.00 WT3 H ATOM 40054 OH2 TIP3 3167 61.692 32.663 45.415 1.00 0.00 WT3 O ATOM 40055 H1 TIP3 3167 61.511 32.242 44.575 1.00 0.00 WT3 H ATOM 40056 H2 TIP3 3167 60.973 32.386 45.983 1.00 0.00 WT3 H ATOM 40057 OH2 TIP3 3169 32.365 14.269 11.999 1.00 0.00 WT3 O ATOM 40058 H1 TIP3 3169 32.411 15.086 12.495 1.00 0.00 WT3 H ATOM 40059 H2 TIP3 3169 33.279 14.036 11.833 1.00 0.00 WT3 H ATOM 40060 OH2 TIP3 3173 62.800 5.545 -5.279 1.00 0.00 WT3 O ATOM 40061 H1 TIP3 3173 61.885 5.405 -5.523 1.00 0.00 WT3 H ATOM 40062 H2 TIP3 3173 63.236 4.723 -5.502 1.00 0.00 WT3 H ATOM 40063 OH2 TIP3 3174 69.317 74.232 22.409 1.00 0.00 WT3 O ATOM 40064 H1 TIP3 3174 68.802 74.595 21.688 1.00 0.00 WT3 H ATOM 40065 H2 TIP3 3174 69.697 73.430 22.052 1.00 0.00 WT3 H ATOM 40066 OH2 TIP3 3175 71.810 20.445 13.980 1.00 0.00 WT3 O ATOM 40067 H1 TIP3 3175 71.821 21.147 14.630 1.00 0.00 WT3 H ATOM 40068 H2 TIP3 3175 70.927 20.081 14.035 1.00 0.00 WT3 H ATOM 40069 OH2 TIP3 3176 23.541 31.165 2.452 1.00 0.00 WT3 O ATOM 40070 H1 TIP3 3176 24.328 31.658 2.683 1.00 0.00 WT3 H ATOM 40071 H2 TIP3 3176 23.853 30.274 2.293 1.00 0.00 WT3 H ATOM 40072 OH2 TIP3 3177 62.889 60.192 19.165 1.00 0.00 WT3 O ATOM 40073 H1 TIP3 3177 62.041 60.624 19.264 1.00 0.00 WT3 H ATOM 40074 H2 TIP3 3177 62.676 59.312 18.854 1.00 0.00 WT3 H ATOM 40075 OH2 TIP3 3178 41.993 56.200 2.739 1.00 0.00 WT3 O ATOM 40076 H1 TIP3 3178 42.715 56.510 3.285 1.00 0.00 WT3 H ATOM 40077 H2 TIP3 3178 41.395 55.772 3.352 1.00 0.00 WT3 H ATOM 40078 OH2 TIP3 3179 42.076 83.494 -11.728 1.00 0.00 WT3 O ATOM 40079 H1 TIP3 3179 41.752 82.852 -12.360 1.00 0.00 WT3 H ATOM 40080 H2 TIP3 3179 42.432 82.967 -11.012 1.00 0.00 WT3 H ATOM 40081 OH2 TIP3 3180 46.314 2.663 9.357 1.00 0.00 WT3 O ATOM 40082 H1 TIP3 3180 46.404 1.881 9.900 1.00 0.00 WT3 H ATOM 40083 H2 TIP3 3180 45.584 3.144 9.748 1.00 0.00 WT3 H ATOM 40084 OH2 TIP3 3181 25.314 72.746 50.874 1.00 0.00 WT3 O ATOM 40085 H1 TIP3 3181 24.806 73.557 50.876 1.00 0.00 WT3 H ATOM 40086 H2 TIP3 3181 24.972 72.250 50.129 1.00 0.00 WT3 H ATOM 40087 OH2 TIP3 3182 70.113 55.899 -13.354 1.00 0.00 WT3 O ATOM 40088 H1 TIP3 3182 69.921 56.239 -12.479 1.00 0.00 WT3 H ATOM 40089 H2 TIP3 3182 70.561 55.068 -13.195 1.00 0.00 WT3 H ATOM 40090 OH2 TIP3 3184 36.670 74.668 56.858 1.00 0.00 WT3 O ATOM 40091 H1 TIP3 3184 37.180 74.363 56.108 1.00 0.00 WT3 H ATOM 40092 H2 TIP3 3184 35.975 75.202 56.474 1.00 0.00 WT3 H ATOM 40093 OH2 TIP3 3185 60.397 81.502 8.671 1.00 0.00 WT3 O ATOM 40094 H1 TIP3 3185 59.611 80.965 8.770 1.00 0.00 WT3 H ATOM 40095 H2 TIP3 3185 61.093 80.985 9.077 1.00 0.00 WT3 H ATOM 40096 OH2 TIP3 3187 79.180 75.008 14.309 1.00 0.00 WT3 O ATOM 40097 H1 TIP3 3187 79.426 74.815 15.214 1.00 0.00 WT3 H ATOM 40098 H2 TIP3 3187 78.793 74.195 13.986 1.00 0.00 WT3 H ATOM 40099 OH2 TIP3 3188 64.238 73.400 6.212 1.00 0.00 WT3 O ATOM 40100 H1 TIP3 3188 65.115 73.128 6.484 1.00 0.00 WT3 H ATOM 40101 H2 TIP3 3188 63.854 72.615 5.820 1.00 0.00 WT3 H ATOM 40102 OH2 TIP3 3189 83.940 88.943 21.959 1.00 0.00 WT3 O ATOM 40103 H1 TIP3 3189 84.048 88.445 22.769 1.00 0.00 WT3 H ATOM 40104 H2 TIP3 3189 82.993 89.044 21.863 1.00 0.00 WT3 H ATOM 40105 OH2 TIP3 3192 54.924 17.167 64.357 1.00 0.00 WT3 O ATOM 40106 H1 TIP3 3192 55.629 17.814 64.373 1.00 0.00 WT3 H ATOM 40107 H2 TIP3 3192 54.129 17.675 64.524 1.00 0.00 WT3 H ATOM 40108 OH2 TIP3 3193 56.876 81.052 11.427 1.00 0.00 WT3 O ATOM 40109 H1 TIP3 3193 57.115 80.159 11.676 1.00 0.00 WT3 H ATOM 40110 H2 TIP3 3193 57.152 81.130 10.514 1.00 0.00 WT3 H ATOM 40111 OH2 TIP3 3194 26.022 24.780 15.049 1.00 0.00 WT3 O ATOM 40112 H1 TIP3 3194 25.972 25.540 15.628 1.00 0.00 WT3 H ATOM 40113 H2 TIP3 3194 25.301 24.216 15.330 1.00 0.00 WT3 H ATOM 40114 OH2 TIP3 3195 80.246 63.744 -2.889 1.00 0.00 WT3 O ATOM 40115 H1 TIP3 3195 80.114 63.941 -3.816 1.00 0.00 WT3 H ATOM 40116 H2 TIP3 3195 79.926 62.848 -2.786 1.00 0.00 WT3 H ATOM 40117 OH2 TIP3 3196 55.248 8.934 6.992 1.00 0.00 WT3 O ATOM 40118 H1 TIP3 3196 55.238 9.316 7.870 1.00 0.00 WT3 H ATOM 40119 H2 TIP3 3196 54.364 9.082 6.656 1.00 0.00 WT3 H ATOM 40120 OH2 TIP3 3198 85.699 62.144 37.225 1.00 0.00 WT3 O ATOM 40121 H1 TIP3 3198 85.438 62.936 36.754 1.00 0.00 WT3 H ATOM 40122 H2 TIP3 3198 86.455 62.414 37.747 1.00 0.00 WT3 H ATOM 40123 OH2 TIP3 3200 25.210 81.006 -1.200 1.00 0.00 WT3 O ATOM 40124 H1 TIP3 3200 25.981 80.442 -1.263 1.00 0.00 WT3 H ATOM 40125 H2 TIP3 3200 24.503 80.489 -1.587 1.00 0.00 WT3 H ATOM 40126 OH2 TIP3 3201 62.980 11.759 -15.460 1.00 0.00 WT3 O ATOM 40127 H1 TIP3 3201 63.206 12.520 -14.924 1.00 0.00 WT3 H ATOM 40128 H2 TIP3 3201 63.821 11.346 -15.657 1.00 0.00 WT3 H ATOM 40129 OH2 TIP3 3202 55.766 68.988 -5.750 1.00 0.00 WT3 O ATOM 40130 H1 TIP3 3202 56.124 68.688 -4.915 1.00 0.00 WT3 H ATOM 40131 H2 TIP3 3202 55.327 69.812 -5.541 1.00 0.00 WT3 H ATOM 40132 OH2 TIP3 3203 59.395 2.217 47.208 1.00 0.00 WT3 O ATOM 40133 H1 TIP3 3203 59.348 1.606 46.472 1.00 0.00 WT3 H ATOM 40134 H2 TIP3 3203 59.114 1.702 47.965 1.00 0.00 WT3 H ATOM 40135 OH2 TIP3 3204 66.268 44.511 5.586 1.00 0.00 WT3 O ATOM 40136 H1 TIP3 3204 66.415 43.728 6.117 1.00 0.00 WT3 H ATOM 40137 H2 TIP3 3204 65.413 44.369 5.180 1.00 0.00 WT3 H ATOM 40138 OH2 TIP3 3205 59.353 25.073 66.260 1.00 0.00 WT3 O ATOM 40139 H1 TIP3 3205 59.414 25.953 65.890 1.00 0.00 WT3 H ATOM 40140 H2 TIP3 3205 58.599 25.111 66.849 1.00 0.00 WT3 H ATOM 40141 OH2 TIP3 3206 44.383 41.312 6.118 1.00 0.00 WT3 O ATOM 40142 H1 TIP3 3206 44.965 42.030 5.870 1.00 0.00 WT3 H ATOM 40143 H2 TIP3 3206 43.983 41.599 6.939 1.00 0.00 WT3 H ATOM 40144 OH2 TIP3 3208 47.649 94.154 40.616 1.00 0.00 WT3 O ATOM 40145 H1 TIP3 3208 48.039 94.779 40.005 1.00 0.00 WT3 H ATOM 40146 H2 TIP3 3208 48.384 93.618 40.915 1.00 0.00 WT3 H ATOM 40147 OH2 TIP3 3209 84.738 78.176 34.024 1.00 0.00 WT3 O ATOM 40148 H1 TIP3 3209 84.215 78.398 33.254 1.00 0.00 WT3 H ATOM 40149 H2 TIP3 3209 85.638 78.379 33.769 1.00 0.00 WT3 H ATOM 40150 OH2 TIP3 3210 25.551 85.076 55.870 1.00 0.00 WT3 O ATOM 40151 H1 TIP3 3210 25.589 84.120 55.842 1.00 0.00 WT3 H ATOM 40152 H2 TIP3 3210 26.169 85.360 55.196 1.00 0.00 WT3 H ATOM 40153 OH2 TIP3 3211 66.300 19.580 63.925 1.00 0.00 WT3 O ATOM 40154 H1 TIP3 3211 66.415 18.832 63.339 1.00 0.00 WT3 H ATOM 40155 H2 TIP3 3211 67.182 19.932 64.042 1.00 0.00 WT3 H ATOM 40156 OH2 TIP3 3212 65.549 43.619 46.597 1.00 0.00 WT3 O ATOM 40157 H1 TIP3 3212 66.106 43.091 47.168 1.00 0.00 WT3 H ATOM 40158 H2 TIP3 3212 64.925 42.995 46.226 1.00 0.00 WT3 H ATOM 40159 OH2 TIP3 3213 21.964 61.093 57.966 1.00 0.00 WT3 O ATOM 40160 H1 TIP3 3213 22.620 60.589 57.486 1.00 0.00 WT3 H ATOM 40161 H2 TIP3 3213 22.425 61.884 58.245 1.00 0.00 WT3 H ATOM 40162 OH2 TIP3 3214 61.277 78.190 42.289 1.00 0.00 WT3 O ATOM 40163 H1 TIP3 3214 61.876 77.670 41.755 1.00 0.00 WT3 H ATOM 40164 H2 TIP3 3214 60.575 77.582 42.524 1.00 0.00 WT3 H ATOM 40165 OH2 TIP3 3215 40.652 17.036 -8.003 1.00 0.00 WT3 O ATOM 40166 H1 TIP3 3215 39.968 16.400 -8.218 1.00 0.00 WT3 H ATOM 40167 H2 TIP3 3215 40.290 17.541 -7.275 1.00 0.00 WT3 H ATOM 40168 OH2 TIP3 3216 89.190 63.148 20.750 1.00 0.00 WT3 O ATOM 40169 H1 TIP3 3216 88.512 62.606 20.349 1.00 0.00 WT3 H ATOM 40170 H2 TIP3 3216 88.862 64.044 20.666 1.00 0.00 WT3 H ATOM 40171 OH2 TIP3 3218 52.340 43.660 -0.174 1.00 0.00 WT3 O ATOM 40172 H1 TIP3 3218 51.913 43.887 0.652 1.00 0.00 WT3 H ATOM 40173 H2 TIP3 3218 53.185 43.294 0.085 1.00 0.00 WT3 H ATOM 40174 OH2 TIP3 3219 70.990 73.843 18.680 1.00 0.00 WT3 O ATOM 40175 H1 TIP3 3219 71.077 73.279 19.448 1.00 0.00 WT3 H ATOM 40176 H2 TIP3 3219 70.241 74.405 18.878 1.00 0.00 WT3 H ATOM 40177 OH2 TIP3 3221 25.345 90.885 -7.525 1.00 0.00 WT3 O ATOM 40178 H1 TIP3 3221 24.604 90.927 -8.129 1.00 0.00 WT3 H ATOM 40179 H2 TIP3 3221 25.984 90.326 -7.968 1.00 0.00 WT3 H ATOM 40180 OH2 TIP3 3222 51.645 81.801 63.631 1.00 0.00 WT3 O ATOM 40181 H1 TIP3 3222 51.267 82.257 64.383 1.00 0.00 WT3 H ATOM 40182 H2 TIP3 3222 52.310 82.403 63.295 1.00 0.00 WT3 H ATOM 40183 OH2 TIP3 3223 43.689 48.557 11.996 1.00 0.00 WT3 O ATOM 40184 H1 TIP3 3223 44.316 48.959 11.395 1.00 0.00 WT3 H ATOM 40185 H2 TIP3 3223 44.088 48.656 12.861 1.00 0.00 WT3 H ATOM 40186 OH2 TIP3 3224 20.876 7.457 -11.997 1.00 0.00 WT3 O ATOM 40187 H1 TIP3 3224 20.958 8.347 -12.340 1.00 0.00 WT3 H ATOM 40188 H2 TIP3 3224 21.766 7.107 -12.024 1.00 0.00 WT3 H ATOM 40189 OH2 TIP3 3225 57.263 45.557 59.936 1.00 0.00 WT3 O ATOM 40190 H1 TIP3 3225 57.550 45.388 60.834 1.00 0.00 WT3 H ATOM 40191 H2 TIP3 3225 56.744 46.359 59.997 1.00 0.00 WT3 H ATOM 40192 OH2 TIP3 3227 52.314 63.996 -6.855 1.00 0.00 WT3 O ATOM 40193 H1 TIP3 3227 52.872 64.464 -6.233 1.00 0.00 WT3 H ATOM 40194 H2 TIP3 3227 51.421 64.202 -6.577 1.00 0.00 WT3 H ATOM 40195 OH2 TIP3 3228 81.861 69.065 17.925 1.00 0.00 WT3 O ATOM 40196 H1 TIP3 3228 81.087 69.607 17.772 1.00 0.00 WT3 H ATOM 40197 H2 TIP3 3228 81.551 68.357 18.490 1.00 0.00 WT3 H ATOM 40198 OH2 TIP3 3229 54.556 28.525 35.969 1.00 0.00 WT3 O ATOM 40199 H1 TIP3 3229 53.687 28.428 35.579 1.00 0.00 WT3 H ATOM 40200 H2 TIP3 3229 54.427 28.319 36.895 1.00 0.00 WT3 H ATOM 40201 OH2 TIP3 3230 58.122 54.542 23.900 1.00 0.00 WT3 O ATOM 40202 H1 TIP3 3230 57.884 53.636 24.092 1.00 0.00 WT3 H ATOM 40203 H2 TIP3 3230 57.590 55.063 24.502 1.00 0.00 WT3 H ATOM 40204 OH2 TIP3 3231 53.193 70.476 48.722 1.00 0.00 WT3 O ATOM 40205 H1 TIP3 3231 53.367 71.404 48.879 1.00 0.00 WT3 H ATOM 40206 H2 TIP3 3231 52.867 70.442 47.822 1.00 0.00 WT3 H ATOM 40207 OH2 TIP3 3232 67.132 57.117 59.046 1.00 0.00 WT3 O ATOM 40208 H1 TIP3 3232 66.279 56.694 58.949 1.00 0.00 WT3 H ATOM 40209 H2 TIP3 3232 67.132 57.812 58.388 1.00 0.00 WT3 H ATOM 40210 OH2 TIP3 3233 48.088 91.512 -6.955 1.00 0.00 WT3 O ATOM 40211 H1 TIP3 3233 47.909 90.798 -7.567 1.00 0.00 WT3 H ATOM 40212 H2 TIP3 3233 48.862 91.947 -7.313 1.00 0.00 WT3 H ATOM 40213 OH2 TIP3 3234 30.354 5.909 45.090 1.00 0.00 WT3 O ATOM 40214 H1 TIP3 3234 30.156 5.180 44.502 1.00 0.00 WT3 H ATOM 40215 H2 TIP3 3234 31.238 6.182 44.845 1.00 0.00 WT3 H ATOM 40216 OH2 TIP3 3235 40.382 90.646 29.819 1.00 0.00 WT3 O ATOM 40217 H1 TIP3 3235 40.330 89.796 29.384 1.00 0.00 WT3 H ATOM 40218 H2 TIP3 3235 40.822 91.213 29.186 1.00 0.00 WT3 H ATOM 40219 OH2 TIP3 3236 69.828 65.258 35.793 1.00 0.00 WT3 O ATOM 40220 H1 TIP3 3236 68.993 65.113 36.239 1.00 0.00 WT3 H ATOM 40221 H2 TIP3 3236 69.964 64.464 35.275 1.00 0.00 WT3 H ATOM 40222 OH2 TIP3 3237 58.618 6.008 31.733 1.00 0.00 WT3 O ATOM 40223 H1 TIP3 3237 59.200 6.323 32.425 1.00 0.00 WT3 H ATOM 40224 H2 TIP3 3237 58.130 5.291 32.138 1.00 0.00 WT3 H ATOM 40225 OH2 TIP3 3238 70.320 80.843 42.942 1.00 0.00 WT3 O ATOM 40226 H1 TIP3 3238 69.771 80.314 43.520 1.00 0.00 WT3 H ATOM 40227 H2 TIP3 3238 71.086 81.062 43.473 1.00 0.00 WT3 H ATOM 40228 OH2 TIP3 3240 54.323 4.648 65.563 1.00 0.00 WT3 O ATOM 40229 H1 TIP3 3240 54.967 4.056 65.950 1.00 0.00 WT3 H ATOM 40230 H2 TIP3 3240 53.800 4.091 64.987 1.00 0.00 WT3 H ATOM 40231 OH2 TIP3 3242 48.016 16.813 6.021 1.00 0.00 WT3 O ATOM 40232 H1 TIP3 3242 48.417 17.005 5.173 1.00 0.00 WT3 H ATOM 40233 H2 TIP3 3242 47.258 16.268 5.810 1.00 0.00 WT3 H ATOM 40234 OH2 TIP3 3244 56.721 75.095 -17.830 1.00 0.00 WT3 O ATOM 40235 H1 TIP3 3244 56.205 75.847 -17.540 1.00 0.00 WT3 H ATOM 40236 H2 TIP3 3244 57.370 74.968 -17.138 1.00 0.00 WT3 H ATOM 40237 OH2 TIP3 3245 25.806 57.673 45.596 1.00 0.00 WT3 O ATOM 40238 H1 TIP3 3245 26.394 57.602 46.349 1.00 0.00 WT3 H ATOM 40239 H2 TIP3 3245 25.882 56.829 45.151 1.00 0.00 WT3 H ATOM 40240 OH2 TIP3 3246 37.120 84.543 21.762 1.00 0.00 WT3 O ATOM 40241 H1 TIP3 3246 37.587 84.979 21.050 1.00 0.00 WT3 H ATOM 40242 H2 TIP3 3246 37.810 84.217 22.339 1.00 0.00 WT3 H ATOM 40243 OH2 TIP3 3247 90.135 12.879 41.591 1.00 0.00 WT3 O ATOM 40244 H1 TIP3 3247 90.526 12.326 40.914 1.00 0.00 WT3 H ATOM 40245 H2 TIP3 3247 90.579 12.620 42.398 1.00 0.00 WT3 H ATOM 40246 OH2 TIP3 3248 40.085 90.788 15.386 1.00 0.00 WT3 O ATOM 40247 H1 TIP3 3248 39.403 90.961 14.736 1.00 0.00 WT3 H ATOM 40248 H2 TIP3 3248 39.962 89.869 15.625 1.00 0.00 WT3 H ATOM 40249 OH2 TIP3 3249 65.894 67.264 34.307 1.00 0.00 WT3 O ATOM 40250 H1 TIP3 3249 65.512 66.938 35.122 1.00 0.00 WT3 H ATOM 40251 H2 TIP3 3249 65.582 66.656 33.636 1.00 0.00 WT3 H ATOM 40252 OH2 TIP3 3250 35.832 5.421 49.669 1.00 0.00 WT3 O ATOM 40253 H1 TIP3 3250 35.632 6.170 50.230 1.00 0.00 WT3 H ATOM 40254 H2 TIP3 3250 36.695 5.619 49.304 1.00 0.00 WT3 H ATOM 40255 OH2 TIP3 3251 37.042 0.614 10.583 1.00 0.00 WT3 O ATOM 40256 H1 TIP3 3251 36.682 1.501 10.587 1.00 0.00 WT3 H ATOM 40257 H2 TIP3 3251 37.937 0.720 10.259 1.00 0.00 WT3 H ATOM 40258 OH2 TIP3 3252 65.545 1.050 62.686 1.00 0.00 WT3 O ATOM 40259 H1 TIP3 3252 65.846 0.405 62.046 1.00 0.00 WT3 H ATOM 40260 H2 TIP3 3252 64.652 0.780 62.898 1.00 0.00 WT3 H ATOM 40261 OH2 TIP3 3253 55.738 77.529 -3.679 1.00 0.00 WT3 O ATOM 40262 H1 TIP3 3253 55.783 77.036 -2.859 1.00 0.00 WT3 H ATOM 40263 H2 TIP3 3253 56.503 77.238 -4.176 1.00 0.00 WT3 H ATOM 40264 OH2 TIP3 3254 47.147 87.462 35.553 1.00 0.00 WT3 O ATOM 40265 H1 TIP3 3254 46.841 86.860 36.231 1.00 0.00 WT3 H ATOM 40266 H2 TIP3 3254 47.639 86.909 34.946 1.00 0.00 WT3 H ATOM 40267 OH2 TIP3 3255 37.039 62.086 49.456 1.00 0.00 WT3 O ATOM 40268 H1 TIP3 3255 37.766 62.547 49.875 1.00 0.00 WT3 H ATOM 40269 H2 TIP3 3255 37.337 61.932 48.560 1.00 0.00 WT3 H ATOM 40270 OH2 TIP3 3256 36.516 14.290 31.527 1.00 0.00 WT3 O ATOM 40271 H1 TIP3 3256 37.186 14.815 31.966 1.00 0.00 WT3 H ATOM 40272 H2 TIP3 3256 36.491 14.633 30.634 1.00 0.00 WT3 H ATOM 40273 OH2 TIP3 3257 51.500 35.531 -7.157 1.00 0.00 WT3 O ATOM 40274 H1 TIP3 3257 50.924 34.768 -7.103 1.00 0.00 WT3 H ATOM 40275 H2 TIP3 3257 52.182 35.274 -7.777 1.00 0.00 WT3 H ATOM 40276 OH2 TIP3 3258 88.313 69.227 42.894 1.00 0.00 WT3 O ATOM 40277 H1 TIP3 3258 87.761 68.559 42.486 1.00 0.00 WT3 H ATOM 40278 H2 TIP3 3258 89.023 69.366 42.269 1.00 0.00 WT3 H ATOM 40279 OH2 TIP3 3259 81.492 13.283 37.917 1.00 0.00 WT3 O ATOM 40280 H1 TIP3 3259 82.239 13.687 38.359 1.00 0.00 WT3 H ATOM 40281 H2 TIP3 3259 81.852 12.496 37.509 1.00 0.00 WT3 H ATOM 40282 OH2 TIP3 3261 39.948 71.774 24.283 1.00 0.00 WT3 O ATOM 40283 H1 TIP3 3261 40.798 71.797 24.722 1.00 0.00 WT3 H ATOM 40284 H2 TIP3 3261 39.921 70.919 23.855 1.00 0.00 WT3 H ATOM 40285 OH2 TIP3 3262 71.867 73.040 46.330 1.00 0.00 WT3 O ATOM 40286 H1 TIP3 3262 71.872 72.085 46.255 1.00 0.00 WT3 H ATOM 40287 H2 TIP3 3262 71.993 73.352 45.434 1.00 0.00 WT3 H ATOM 40288 OH2 TIP3 3263 42.366 5.880 -15.406 1.00 0.00 WT3 O ATOM 40289 H1 TIP3 3263 42.416 6.119 -14.481 1.00 0.00 WT3 H ATOM 40290 H2 TIP3 3263 41.457 6.057 -15.650 1.00 0.00 WT3 H ATOM 40291 OH2 TIP3 3266 30.997 1.403 10.787 1.00 0.00 WT3 O ATOM 40292 H1 TIP3 3266 30.171 1.477 11.264 1.00 0.00 WT3 H ATOM 40293 H2 TIP3 3266 30.788 0.862 10.026 1.00 0.00 WT3 H ATOM 40294 OH2 TIP3 3268 78.800 78.952 21.566 1.00 0.00 WT3 O ATOM 40295 H1 TIP3 3268 79.621 79.198 21.993 1.00 0.00 WT3 H ATOM 40296 H2 TIP3 3268 78.349 78.406 22.209 1.00 0.00 WT3 H ATOM 40297 OH2 TIP3 3269 53.110 59.259 10.452 1.00 0.00 WT3 O ATOM 40298 H1 TIP3 3269 53.487 59.260 11.333 1.00 0.00 WT3 H ATOM 40299 H2 TIP3 3269 53.847 59.057 9.876 1.00 0.00 WT3 H ATOM 40300 OH2 TIP3 3271 21.278 19.375 10.453 1.00 0.00 WT3 O ATOM 40301 H1 TIP3 3271 21.677 19.431 11.321 1.00 0.00 WT3 H ATOM 40302 H2 TIP3 3271 21.921 18.903 9.924 1.00 0.00 WT3 H ATOM 40303 OH2 TIP3 3272 27.216 86.800 -10.391 1.00 0.00 WT3 O ATOM 40304 H1 TIP3 3272 26.259 86.787 -10.386 1.00 0.00 WT3 H ATOM 40305 H2 TIP3 3272 27.455 86.456 -11.252 1.00 0.00 WT3 H ATOM 40306 OH2 TIP3 3273 40.038 1.492 15.838 1.00 0.00 WT3 O ATOM 40307 H1 TIP3 3273 39.390 1.780 16.480 1.00 0.00 WT3 H ATOM 40308 H2 TIP3 3273 39.983 0.536 15.853 1.00 0.00 WT3 H ATOM 40309 OH2 TIP3 3274 71.654 17.385 57.587 1.00 0.00 WT3 O ATOM 40310 H1 TIP3 3274 71.663 16.786 56.840 1.00 0.00 WT3 H ATOM 40311 H2 TIP3 3274 71.330 18.211 57.227 1.00 0.00 WT3 H ATOM 40312 OH2 TIP3 3280 90.079 77.385 -12.029 1.00 0.00 WT3 O ATOM 40313 H1 TIP3 3280 90.593 76.866 -11.410 1.00 0.00 WT3 H ATOM 40314 H2 TIP3 3280 89.499 76.751 -12.451 1.00 0.00 WT3 H ATOM 40315 OH2 TIP3 3282 88.689 58.941 3.713 1.00 0.00 WT3 O ATOM 40316 H1 TIP3 3282 87.834 58.744 3.329 1.00 0.00 WT3 H ATOM 40317 H2 TIP3 3282 89.311 58.798 3.000 1.00 0.00 WT3 H ATOM 40318 OH2 TIP3 3286 46.991 31.829 -8.184 1.00 0.00 WT3 O ATOM 40319 H1 TIP3 3286 46.870 32.590 -7.616 1.00 0.00 WT3 H ATOM 40320 H2 TIP3 3286 47.097 31.093 -7.580 1.00 0.00 WT3 H ATOM 40321 OH2 TIP3 3287 24.796 73.829 1.654 1.00 0.00 WT3 O ATOM 40322 H1 TIP3 3287 25.531 73.927 1.048 1.00 0.00 WT3 H ATOM 40323 H2 TIP3 3287 24.715 74.685 2.073 1.00 0.00 WT3 H ATOM 40324 OH2 TIP3 3291 66.544 79.591 3.698 1.00 0.00 WT3 O ATOM 40325 H1 TIP3 3291 66.476 78.683 3.404 1.00 0.00 WT3 H ATOM 40326 H2 TIP3 3291 65.640 79.855 3.872 1.00 0.00 WT3 H ATOM 40327 OH2 TIP3 3292 51.845 86.697 61.115 1.00 0.00 WT3 O ATOM 40328 H1 TIP3 3292 51.680 86.306 60.257 1.00 0.00 WT3 H ATOM 40329 H2 TIP3 3292 51.818 87.641 60.959 1.00 0.00 WT3 H ATOM 40330 OH2 TIP3 3293 81.989 13.487 1.631 1.00 0.00 WT3 O ATOM 40331 H1 TIP3 3293 81.922 14.105 2.358 1.00 0.00 WT3 H ATOM 40332 H2 TIP3 3293 82.514 12.765 1.976 1.00 0.00 WT3 H ATOM 40333 OH2 TIP3 3294 46.414 59.141 47.734 1.00 0.00 WT3 O ATOM 40334 H1 TIP3 3294 47.084 59.798 47.540 1.00 0.00 WT3 H ATOM 40335 H2 TIP3 3294 46.538 58.468 47.066 1.00 0.00 WT3 H ATOM 40336 OH2 TIP3 3295 87.967 75.941 59.248 1.00 0.00 WT3 O ATOM 40337 H1 TIP3 3295 87.311 75.823 59.935 1.00 0.00 WT3 H ATOM 40338 H2 TIP3 3295 87.520 75.684 58.442 1.00 0.00 WT3 H ATOM 40339 OH2 TIP3 3296 24.626 5.562 60.324 1.00 0.00 WT3 O ATOM 40340 H1 TIP3 3296 24.284 6.073 59.591 1.00 0.00 WT3 H ATOM 40341 H2 TIP3 3296 25.572 5.711 60.299 1.00 0.00 WT3 H ATOM 40342 OH2 TIP3 3300 59.405 15.947 -12.962 1.00 0.00 WT3 O ATOM 40343 H1 TIP3 3300 58.673 16.329 -13.447 1.00 0.00 WT3 H ATOM 40344 H2 TIP3 3300 60.186 16.282 -13.404 1.00 0.00 WT3 H ATOM 40345 OH2 TIP3 3301 42.947 83.572 33.264 1.00 0.00 WT3 O ATOM 40346 H1 TIP3 3301 43.216 84.467 33.057 1.00 0.00 WT3 H ATOM 40347 H2 TIP3 3301 43.201 83.062 32.495 1.00 0.00 WT3 H ATOM 40348 OH2 TIP3 3302 79.727 10.639 42.705 1.00 0.00 WT3 O ATOM 40349 H1 TIP3 3302 80.042 11.496 42.416 1.00 0.00 WT3 H ATOM 40350 H2 TIP3 3302 79.120 10.836 43.419 1.00 0.00 WT3 H ATOM 40351 OH2 TIP3 3303 82.178 59.374 34.551 1.00 0.00 WT3 O ATOM 40352 H1 TIP3 3303 82.743 59.579 35.297 1.00 0.00 WT3 H ATOM 40353 H2 TIP3 3303 82.474 59.962 33.857 1.00 0.00 WT3 H ATOM 40354 OH2 TIP3 3304 83.702 40.199 9.376 1.00 0.00 WT3 O ATOM 40355 H1 TIP3 3304 83.695 39.242 9.377 1.00 0.00 WT3 H ATOM 40356 H2 TIP3 3304 83.821 40.440 10.295 1.00 0.00 WT3 H ATOM 40357 OH2 TIP3 3305 51.093 12.651 -4.551 1.00 0.00 WT3 O ATOM 40358 H1 TIP3 3305 51.348 13.573 -4.594 1.00 0.00 WT3 H ATOM 40359 H2 TIP3 3305 50.189 12.667 -4.237 1.00 0.00 WT3 H ATOM 40360 OH2 TIP3 3306 77.864 86.255 -11.605 1.00 0.00 WT3 O ATOM 40361 H1 TIP3 3306 78.087 87.082 -11.177 1.00 0.00 WT3 H ATOM 40362 H2 TIP3 3306 77.628 86.503 -12.499 1.00 0.00 WT3 H ATOM 40363 OH2 TIP3 3307 39.574 95.488 49.546 1.00 0.00 WT3 O ATOM 40364 H1 TIP3 3307 39.277 96.159 50.161 1.00 0.00 WT3 H ATOM 40365 H2 TIP3 3307 38.889 95.455 48.878 1.00 0.00 WT3 H ATOM 40366 OH2 TIP3 3309 87.114 4.676 -11.635 1.00 0.00 WT3 O ATOM 40367 H1 TIP3 3309 87.935 4.277 -11.925 1.00 0.00 WT3 H ATOM 40368 H2 TIP3 3309 86.530 3.935 -11.478 1.00 0.00 WT3 H ATOM 40369 OH2 TIP3 3310 30.145 83.026 7.673 1.00 0.00 WT3 O ATOM 40370 H1 TIP3 3310 29.505 83.078 8.383 1.00 0.00 WT3 H ATOM 40371 H2 TIP3 3310 29.879 82.257 7.167 1.00 0.00 WT3 H ATOM 40372 OH2 TIP3 3312 34.359 69.606 -18.033 1.00 0.00 WT3 O ATOM 40373 H1 TIP3 3312 34.796 69.031 -17.406 1.00 0.00 WT3 H ATOM 40374 H2 TIP3 3312 33.425 69.464 -17.878 1.00 0.00 WT3 H ATOM 40375 OH2 TIP3 3313 45.687 70.232 31.577 1.00 0.00 WT3 O ATOM 40376 H1 TIP3 3313 46.113 69.512 31.113 1.00 0.00 WT3 H ATOM 40377 H2 TIP3 3313 46.142 70.279 32.417 1.00 0.00 WT3 H ATOM 40378 OH2 TIP3 3316 61.996 7.093 9.688 1.00 0.00 WT3 O ATOM 40379 H1 TIP3 3316 61.931 6.292 9.169 1.00 0.00 WT3 H ATOM 40380 H2 TIP3 3316 62.656 7.619 9.236 1.00 0.00 WT3 H ATOM 40381 OH2 TIP3 3317 43.438 14.810 10.972 1.00 0.00 WT3 O ATOM 40382 H1 TIP3 3317 43.637 15.160 11.841 1.00 0.00 WT3 H ATOM 40383 H2 TIP3 3317 43.829 13.937 10.970 1.00 0.00 WT3 H ATOM 40384 OH2 TIP3 3324 63.934 73.185 51.903 1.00 0.00 WT3 O ATOM 40385 H1 TIP3 3324 63.305 73.062 51.193 1.00 0.00 WT3 H ATOM 40386 H2 TIP3 3324 63.704 74.032 52.284 1.00 0.00 WT3 H ATOM 40387 OH2 TIP3 3331 39.897 78.637 56.312 1.00 0.00 WT3 O ATOM 40388 H1 TIP3 3331 40.264 78.841 55.452 1.00 0.00 WT3 H ATOM 40389 H2 TIP3 3331 40.471 79.087 56.931 1.00 0.00 WT3 H ATOM 40390 OH2 TIP3 3334 37.920 89.828 -16.179 1.00 0.00 WT3 O ATOM 40391 H1 TIP3 3334 38.645 89.224 -16.023 1.00 0.00 WT3 H ATOM 40392 H2 TIP3 3334 37.136 89.324 -15.959 1.00 0.00 WT3 H ATOM 40393 OH2 TIP3 3335 54.810 69.481 57.616 1.00 0.00 WT3 O ATOM 40394 H1 TIP3 3335 54.174 69.678 56.928 1.00 0.00 WT3 H ATOM 40395 H2 TIP3 3335 55.116 70.337 57.913 1.00 0.00 WT3 H ATOM 40396 OH2 TIP3 3338 80.064 70.491 11.134 1.00 0.00 WT3 O ATOM 40397 H1 TIP3 3338 79.566 70.394 10.322 1.00 0.00 WT3 H ATOM 40398 H2 TIP3 3338 80.297 69.596 11.381 1.00 0.00 WT3 H ATOM 40399 OH2 TIP3 3347 39.482 82.532 29.766 1.00 0.00 WT3 O ATOM 40400 H1 TIP3 3347 40.198 82.102 29.298 1.00 0.00 WT3 H ATOM 40401 H2 TIP3 3347 38.707 82.356 29.233 1.00 0.00 WT3 H ATOM 40402 OH2 TIP3 3348 71.140 22.788 15.075 1.00 0.00 WT3 O ATOM 40403 H1 TIP3 3348 70.802 23.426 14.446 1.00 0.00 WT3 H ATOM 40404 H2 TIP3 3348 70.368 22.500 15.562 1.00 0.00 WT3 H ATOM 40405 OH2 TIP3 3350 29.417 79.609 55.823 1.00 0.00 WT3 O ATOM 40406 H1 TIP3 3350 29.526 78.886 55.206 1.00 0.00 WT3 H ATOM 40407 H2 TIP3 3350 29.366 79.187 56.681 1.00 0.00 WT3 H ATOM 40408 OH2 TIP3 3354 51.068 85.618 -4.333 1.00 0.00 WT3 O ATOM 40409 H1 TIP3 3354 50.826 84.708 -4.507 1.00 0.00 WT3 H ATOM 40410 H2 TIP3 3354 50.735 85.791 -3.453 1.00 0.00 WT3 H ATOM 40411 OH2 TIP3 3367 21.290 81.034 35.483 1.00 0.00 WT3 O ATOM 40412 H1 TIP3 3367 21.094 81.591 36.236 1.00 0.00 WT3 H ATOM 40413 H2 TIP3 3367 20.434 80.838 35.101 1.00 0.00 WT3 H ATOM 40414 OH2 TIP3 3369 62.979 23.217 -3.647 1.00 0.00 WT3 O ATOM 40415 H1 TIP3 3369 62.921 23.061 -2.704 1.00 0.00 WT3 H ATOM 40416 H2 TIP3 3369 63.914 23.149 -3.844 1.00 0.00 WT3 H ATOM 40417 OH2 TIP3 3382 73.848 0.746 32.090 1.00 0.00 WT3 O ATOM 40418 H1 TIP3 3382 73.181 0.162 31.730 1.00 0.00 WT3 H ATOM 40419 H2 TIP3 3382 73.522 1.627 31.905 1.00 0.00 WT3 H ATOM 40420 OH2 TIP3 3408 60.867 51.312 51.527 1.00 0.00 WT3 O ATOM 40421 H1 TIP3 3408 61.424 51.425 50.756 1.00 0.00 WT3 H ATOM 40422 H2 TIP3 3408 61.066 50.430 51.839 1.00 0.00 WT3 H ATOM 40423 OH2 TIP3 3426 33.676 50.702 10.429 1.00 0.00 WT3 O ATOM 40424 H1 TIP3 3426 34.270 50.873 11.160 1.00 0.00 WT3 H ATOM 40425 H2 TIP3 3426 34.243 50.372 9.732 1.00 0.00 WT3 H ATOM 40426 OH2 TIP3 3440 37.423 74.457 34.922 1.00 0.00 WT3 O ATOM 40427 H1 TIP3 3440 37.284 73.694 35.484 1.00 0.00 WT3 H ATOM 40428 H2 TIP3 3440 38.361 74.448 34.733 1.00 0.00 WT3 H ATOM 40429 OH2 TIP3 3447 79.074 95.929 42.066 1.00 0.00 WT3 O ATOM 40430 H1 TIP3 3447 78.888 96.766 42.491 1.00 0.00 WT3 H ATOM 40431 H2 TIP3 3447 78.500 95.916 41.300 1.00 0.00 WT3 H ATOM 40432 OH2 TIP3 3480 39.310 84.613 4.520 1.00 0.00 WT3 O ATOM 40433 H1 TIP3 3480 38.869 84.383 5.338 1.00 0.00 WT3 H ATOM 40434 H2 TIP3 3480 38.623 84.562 3.855 1.00 0.00 WT3 H ATOM 40435 OH2 TIP3 3484 51.130 68.976 66.098 1.00 0.00 WT3 O ATOM 40436 H1 TIP3 3484 51.549 69.759 66.454 1.00 0.00 WT3 H ATOM 40437 H2 TIP3 3484 51.103 68.363 66.833 1.00 0.00 WT3 H ATOM 40438 OH2 TIP3 3496 80.272 75.089 31.950 1.00 0.00 WT3 O ATOM 40439 H1 TIP3 3496 80.039 74.429 32.603 1.00 0.00 WT3 H ATOM 40440 H2 TIP3 3496 80.594 75.831 32.463 1.00 0.00 WT3 H ATOM 40441 OH2 TIP3 3497 79.197 81.796 19.408 1.00 0.00 WT3 O ATOM 40442 H1 TIP3 3497 79.991 81.263 19.434 1.00 0.00 WT3 H ATOM 40443 H2 TIP3 3497 78.485 81.162 19.321 1.00 0.00 WT3 H ATOM 40444 OH2 TIP3 3511 42.464 38.085 62.959 1.00 0.00 WT3 O ATOM 40445 H1 TIP3 3511 42.226 37.681 62.124 1.00 0.00 WT3 H ATOM 40446 H2 TIP3 3511 43.127 37.501 63.327 1.00 0.00 WT3 H ATOM 40447 OH2 TIP3 3513 56.630 85.293 4.877 1.00 0.00 WT3 O ATOM 40448 H1 TIP3 3513 56.926 86.184 5.065 1.00 0.00 WT3 H ATOM 40449 H2 TIP3 3513 55.854 85.177 5.425 1.00 0.00 WT3 H ATOM 40450 OH2 TIP3 3514 78.609 60.807 -3.151 1.00 0.00 WT3 O ATOM 40451 H1 TIP3 3514 79.457 60.384 -3.011 1.00 0.00 WT3 H ATOM 40452 H2 TIP3 3514 78.746 61.372 -3.911 1.00 0.00 WT3 H ATOM 40453 OH2 TIP3 3521 28.348 50.966 45.671 1.00 0.00 WT3 O ATOM 40454 H1 TIP3 3521 28.969 50.990 46.399 1.00 0.00 WT3 H ATOM 40455 H2 TIP3 3521 28.732 50.347 45.049 1.00 0.00 WT3 H ATOM 40456 OH2 TIP3 3526 65.998 89.341 -11.515 1.00 0.00 WT3 O ATOM 40457 H1 TIP3 3526 65.591 88.533 -11.827 1.00 0.00 WT3 H ATOM 40458 H2 TIP3 3526 65.572 89.516 -10.675 1.00 0.00 WT3 H ATOM 40459 OH2 TIP3 3527 82.250 72.225 27.420 1.00 0.00 WT3 O ATOM 40460 H1 TIP3 3527 82.060 71.493 28.007 1.00 0.00 WT3 H ATOM 40461 H2 TIP3 3527 83.124 72.517 27.677 1.00 0.00 WT3 H ATOM 40462 OH2 TIP3 3533 22.820 1.674 -5.215 1.00 0.00 WT3 O ATOM 40463 H1 TIP3 3533 23.092 2.018 -6.066 1.00 0.00 WT3 H ATOM 40464 H2 TIP3 3533 21.864 1.690 -5.244 1.00 0.00 WT3 H ATOM 40465 OH2 TIP3 3534 41.481 32.209 48.469 1.00 0.00 WT3 O ATOM 40466 H1 TIP3 3534 42.176 32.278 47.814 1.00 0.00 WT3 H ATOM 40467 H2 TIP3 3534 40.919 31.504 48.149 1.00 0.00 WT3 H ATOM 40468 OH2 TIP3 3537 69.429 47.400 -0.955 1.00 0.00 WT3 O ATOM 40469 H1 TIP3 3537 68.781 46.781 -0.619 1.00 0.00 WT3 H ATOM 40470 H2 TIP3 3537 69.831 47.776 -0.172 1.00 0.00 WT3 H ATOM 40471 OH2 TIP3 3544 35.493 51.453 29.021 1.00 0.00 WT3 O ATOM 40472 H1 TIP3 3544 36.447 51.386 29.033 1.00 0.00 WT3 H ATOM 40473 H2 TIP3 3544 35.317 52.390 29.100 1.00 0.00 WT3 H ATOM 40474 OH2 TIP3 3545 79.254 53.033 44.459 1.00 0.00 WT3 O ATOM 40475 H1 TIP3 3545 79.887 53.058 45.177 1.00 0.00 WT3 H ATOM 40476 H2 TIP3 3545 79.588 53.666 43.823 1.00 0.00 WT3 H ATOM 40477 OH2 TIP3 3546 90.484 55.034 -18.579 1.00 0.00 WT3 O ATOM 40478 H1 TIP3 3546 89.803 55.475 -18.071 1.00 0.00 WT3 H ATOM 40479 H2 TIP3 3546 90.620 55.599 -19.339 1.00 0.00 WT3 H ATOM 40480 OH2 TIP3 3548 46.449 76.160 -6.232 1.00 0.00 WT3 O ATOM 40481 H1 TIP3 3548 46.770 75.684 -6.998 1.00 0.00 WT3 H ATOM 40482 H2 TIP3 3548 46.150 75.475 -5.633 1.00 0.00 WT3 H ATOM 40483 OH2 TIP3 3552 56.874 6.959 13.678 1.00 0.00 WT3 O ATOM 40484 H1 TIP3 3552 56.466 6.106 13.531 1.00 0.00 WT3 H ATOM 40485 H2 TIP3 3552 57.218 6.910 14.570 1.00 0.00 WT3 H ATOM 40486 OH2 TIP3 3554 70.323 63.712 65.821 1.00 0.00 WT3 O ATOM 40487 H1 TIP3 3554 69.601 63.998 66.380 1.00 0.00 WT3 H ATOM 40488 H2 TIP3 3554 70.127 62.797 65.624 1.00 0.00 WT3 H ATOM 40489 OH2 TIP3 3555 46.970 72.378 -6.537 1.00 0.00 WT3 O ATOM 40490 H1 TIP3 3555 46.787 71.865 -5.750 1.00 0.00 WT3 H ATOM 40491 H2 TIP3 3555 47.917 72.306 -6.655 1.00 0.00 WT3 H ATOM 40492 OH2 TIP3 3556 41.346 82.820 40.747 1.00 0.00 WT3 O ATOM 40493 H1 TIP3 3556 41.963 83.154 41.398 1.00 0.00 WT3 H ATOM 40494 H2 TIP3 3556 41.618 81.915 40.600 1.00 0.00 WT3 H ATOM 40495 OH2 TIP3 3561 56.305 66.845 11.082 1.00 0.00 WT3 O ATOM 40496 H1 TIP3 3561 56.268 66.214 10.363 1.00 0.00 WT3 H ATOM 40497 H2 TIP3 3561 56.695 66.359 11.808 1.00 0.00 WT3 H ATOM 40498 OH2 TIP3 3566 38.483 93.528 27.670 1.00 0.00 WT3 O ATOM 40499 H1 TIP3 3566 38.917 93.870 26.889 1.00 0.00 WT3 H ATOM 40500 H2 TIP3 3566 39.184 93.443 28.316 1.00 0.00 WT3 H ATOM 40501 OH2 TIP3 3569 85.334 82.336 60.258 1.00 0.00 WT3 O ATOM 40502 H1 TIP3 3569 85.580 82.492 59.347 1.00 0.00 WT3 H ATOM 40503 H2 TIP3 3569 84.530 81.819 60.205 1.00 0.00 WT3 H ATOM 40504 OH2 TIP3 3571 33.287 86.489 2.388 1.00 0.00 WT3 O ATOM 40505 H1 TIP3 3571 33.943 87.118 2.688 1.00 0.00 WT3 H ATOM 40506 H2 TIP3 3571 33.667 85.633 2.585 1.00 0.00 WT3 H ATOM 40507 OH2 TIP3 3573 34.669 38.027 59.030 1.00 0.00 WT3 O ATOM 40508 H1 TIP3 3573 34.203 38.611 59.627 1.00 0.00 WT3 H ATOM 40509 H2 TIP3 3573 34.623 38.466 58.180 1.00 0.00 WT3 H ATOM 40510 OH2 TIP3 3575 39.232 3.409 65.039 1.00 0.00 WT3 O ATOM 40511 H1 TIP3 3575 39.036 3.785 64.181 1.00 0.00 WT3 H ATOM 40512 H2 TIP3 3575 38.839 4.019 65.664 1.00 0.00 WT3 H ATOM 40513 OH2 TIP3 3579 67.458 0.422 8.135 1.00 0.00 WT3 O ATOM 40514 H1 TIP3 3579 68.248 0.944 7.992 1.00 0.00 WT3 H ATOM 40515 H2 TIP3 3579 67.351 -0.077 7.325 1.00 0.00 WT3 H ATOM 40516 OH2 TIP3 3580 40.009 30.750 66.257 1.00 0.00 WT3 O ATOM 40517 H1 TIP3 3580 40.541 30.607 67.039 1.00 0.00 WT3 H ATOM 40518 H2 TIP3 3580 40.319 31.584 65.905 1.00 0.00 WT3 H ATOM 40519 OH2 TIP3 3585 21.254 17.923 34.668 1.00 0.00 WT3 O ATOM 40520 H1 TIP3 3585 20.895 18.717 34.271 1.00 0.00 WT3 H ATOM 40521 H2 TIP3 3585 20.569 17.624 35.266 1.00 0.00 WT3 H ATOM 40522 OH2 TIP3 3586 34.964 45.468 18.042 1.00 0.00 WT3 O ATOM 40523 H1 TIP3 3586 35.314 46.297 18.368 1.00 0.00 WT3 H ATOM 40524 H2 TIP3 3586 35.739 44.952 17.819 1.00 0.00 WT3 H ATOM 40525 OH2 TIP3 3588 25.764 76.020 63.935 1.00 0.00 WT3 O ATOM 40526 H1 TIP3 3588 26.694 75.973 64.157 1.00 0.00 WT3 H ATOM 40527 H2 TIP3 3588 25.312 75.806 64.752 1.00 0.00 WT3 H ATOM 40528 OH2 TIP3 3589 45.855 76.116 56.851 1.00 0.00 WT3 O ATOM 40529 H1 TIP3 3589 45.848 76.956 56.393 1.00 0.00 WT3 H ATOM 40530 H2 TIP3 3589 44.958 75.792 56.772 1.00 0.00 WT3 H ATOM 40531 OH2 TIP3 3590 34.097 1.080 50.526 1.00 0.00 WT3 O ATOM 40532 H1 TIP3 3590 34.508 1.747 49.976 1.00 0.00 WT3 H ATOM 40533 H2 TIP3 3590 33.836 1.550 51.318 1.00 0.00 WT3 H ATOM 40534 OH2 TIP3 3593 36.304 53.448 63.575 1.00 0.00 WT3 O ATOM 40535 H1 TIP3 3593 36.648 53.379 64.465 1.00 0.00 WT3 H ATOM 40536 H2 TIP3 3593 36.379 52.563 63.219 1.00 0.00 WT3 H ATOM 40537 OH2 TIP3 3595 50.630 65.232 64.153 1.00 0.00 WT3 O ATOM 40538 H1 TIP3 3595 51.505 65.495 64.437 1.00 0.00 WT3 H ATOM 40539 H2 TIP3 3595 50.359 65.918 63.543 1.00 0.00 WT3 H ATOM 40540 OH2 TIP3 3596 62.461 92.791 56.919 1.00 0.00 WT3 O ATOM 40541 H1 TIP3 3596 61.834 92.438 56.288 1.00 0.00 WT3 H ATOM 40542 H2 TIP3 3596 62.319 93.738 56.895 1.00 0.00 WT3 H ATOM 40543 OH2 TIP3 3597 76.567 49.837 5.910 1.00 0.00 WT3 O ATOM 40544 H1 TIP3 3597 75.768 49.658 5.414 1.00 0.00 WT3 H ATOM 40545 H2 TIP3 3597 77.147 49.105 5.702 1.00 0.00 WT3 H ATOM 40546 OH2 TIP3 3598 59.837 11.631 5.237 1.00 0.00 WT3 O ATOM 40547 H1 TIP3 3598 59.186 12.327 5.329 1.00 0.00 WT3 H ATOM 40548 H2 TIP3 3598 59.920 11.503 4.292 1.00 0.00 WT3 H ATOM 40549 OH2 TIP3 3599 39.794 41.460 -8.139 1.00 0.00 WT3 O ATOM 40550 H1 TIP3 3599 39.655 41.971 -7.342 1.00 0.00 WT3 H ATOM 40551 H2 TIP3 3599 39.126 41.776 -8.747 1.00 0.00 WT3 H ATOM 40552 OH2 TIP3 3600 54.321 85.235 17.618 1.00 0.00 WT3 O ATOM 40553 H1 TIP3 3600 54.479 84.968 16.712 1.00 0.00 WT3 H ATOM 40554 H2 TIP3 3600 54.490 86.177 17.624 1.00 0.00 WT3 H ATOM 40555 OH2 TIP3 3601 32.417 8.642 37.716 1.00 0.00 WT3 O ATOM 40556 H1 TIP3 3601 32.985 8.952 38.422 1.00 0.00 WT3 H ATOM 40557 H2 TIP3 3601 31.537 8.654 38.094 1.00 0.00 WT3 H ATOM 40558 OH2 TIP3 3603 84.117 70.257 5.751 1.00 0.00 WT3 O ATOM 40559 H1 TIP3 3603 84.973 69.829 5.771 1.00 0.00 WT3 H ATOM 40560 H2 TIP3 3603 83.562 69.661 5.249 1.00 0.00 WT3 H ATOM 40561 OH2 TIP3 3604 62.271 93.435 25.178 1.00 0.00 WT3 O ATOM 40562 H1 TIP3 3604 62.981 93.349 25.814 1.00 0.00 WT3 H ATOM 40563 H2 TIP3 3604 61.756 92.636 25.284 1.00 0.00 WT3 H ATOM 40564 OH2 TIP3 3607 51.629 96.023 -13.229 1.00 0.00 WT3 O ATOM 40565 H1 TIP3 3607 51.627 96.863 -13.688 1.00 0.00 WT3 H ATOM 40566 H2 TIP3 3607 50.765 95.650 -13.407 1.00 0.00 WT3 H ATOM 40567 OH2 TIP3 3608 64.926 85.768 42.502 1.00 0.00 WT3 O ATOM 40568 H1 TIP3 3608 64.076 85.366 42.683 1.00 0.00 WT3 H ATOM 40569 H2 TIP3 3608 64.997 86.477 43.141 1.00 0.00 WT3 H ATOM 40570 OH2 TIP3 3609 66.572 76.921 50.617 1.00 0.00 WT3 O ATOM 40571 H1 TIP3 3609 65.727 76.876 50.171 1.00 0.00 WT3 H ATOM 40572 H2 TIP3 3609 67.110 76.261 50.181 1.00 0.00 WT3 H ATOM 40573 OH2 TIP3 3610 43.340 76.321 27.603 1.00 0.00 WT3 O ATOM 40574 H1 TIP3 3610 44.041 75.901 27.104 1.00 0.00 WT3 H ATOM 40575 H2 TIP3 3610 43.018 75.635 28.188 1.00 0.00 WT3 H ATOM 40576 OH2 TIP3 3612 43.202 66.143 1.528 1.00 0.00 WT3 O ATOM 40577 H1 TIP3 3612 42.456 65.580 1.734 1.00 0.00 WT3 H ATOM 40578 H2 TIP3 3612 43.897 65.845 2.115 1.00 0.00 WT3 H ATOM 40579 OH2 TIP3 3613 81.691 73.524 66.010 1.00 0.00 WT3 O ATOM 40580 H1 TIP3 3613 81.724 72.768 65.424 1.00 0.00 WT3 H ATOM 40581 H2 TIP3 3613 81.491 74.264 65.436 1.00 0.00 WT3 H ATOM 40582 OH2 TIP3 3614 20.528 69.966 31.595 1.00 0.00 WT3 O ATOM 40583 H1 TIP3 3614 21.162 70.465 31.080 1.00 0.00 WT3 H ATOM 40584 H2 TIP3 3614 20.083 69.411 30.956 1.00 0.00 WT3 H ATOM 40585 OH2 TIP3 3615 72.839 92.865 -7.213 1.00 0.00 WT3 O ATOM 40586 H1 TIP3 3615 72.775 93.234 -6.333 1.00 0.00 WT3 H ATOM 40587 H2 TIP3 3615 72.545 91.959 -7.115 1.00 0.00 WT3 H ATOM 40588 OH2 TIP3 3616 59.339 69.517 28.461 1.00 0.00 WT3 O ATOM 40589 H1 TIP3 3616 58.922 70.370 28.333 1.00 0.00 WT3 H ATOM 40590 H2 TIP3 3616 58.630 68.884 28.346 1.00 0.00 WT3 H ATOM 40591 OH2 TIP3 3617 33.899 8.930 52.086 1.00 0.00 WT3 O ATOM 40592 H1 TIP3 3617 34.767 9.028 51.695 1.00 0.00 WT3 H ATOM 40593 H2 TIP3 3617 34.057 8.939 53.029 1.00 0.00 WT3 H ATOM 40594 OH2 TIP3 3618 40.517 12.213 -17.986 1.00 0.00 WT3 O ATOM 40595 H1 TIP3 3618 39.698 12.640 -17.736 1.00 0.00 WT3 H ATOM 40596 H2 TIP3 3618 40.966 12.857 -18.534 1.00 0.00 WT3 H ATOM 40597 OH2 TIP3 3619 88.772 83.459 54.786 1.00 0.00 WT3 O ATOM 40598 H1 TIP3 3619 87.860 83.581 54.521 1.00 0.00 WT3 H ATOM 40599 H2 TIP3 3619 88.968 84.224 55.327 1.00 0.00 WT3 H ATOM 40600 OH2 TIP3 3620 80.953 71.940 49.664 1.00 0.00 WT3 O ATOM 40601 H1 TIP3 3620 81.169 71.071 50.002 1.00 0.00 WT3 H ATOM 40602 H2 TIP3 3620 80.237 72.243 50.223 1.00 0.00 WT3 H ATOM 40603 OH2 TIP3 3621 81.127 89.023 22.210 1.00 0.00 WT3 O ATOM 40604 H1 TIP3 3621 80.337 89.559 22.146 1.00 0.00 WT3 H ATOM 40605 H2 TIP3 3621 80.911 88.353 22.859 1.00 0.00 WT3 H ATOM 40606 OH2 TIP3 3622 54.254 65.433 14.205 1.00 0.00 WT3 O ATOM 40607 H1 TIP3 3622 54.305 65.155 13.290 1.00 0.00 WT3 H ATOM 40608 H2 TIP3 3622 53.707 64.771 14.627 1.00 0.00 WT3 H ATOM 40609 OH2 TIP3 3623 73.567 32.550 -14.710 1.00 0.00 WT3 O ATOM 40610 H1 TIP3 3623 74.026 32.920 -15.464 1.00 0.00 WT3 H ATOM 40611 H2 TIP3 3623 72.699 32.950 -14.736 1.00 0.00 WT3 H ATOM 40612 OH2 TIP3 3624 55.327 71.374 4.006 1.00 0.00 WT3 O ATOM 40613 H1 TIP3 3624 55.184 70.900 4.826 1.00 0.00 WT3 H ATOM 40614 H2 TIP3 3624 56.234 71.674 4.057 1.00 0.00 WT3 H ATOM 40615 OH2 TIP3 3625 25.150 16.377 -5.244 1.00 0.00 WT3 O ATOM 40616 H1 TIP3 3625 24.987 16.589 -6.163 1.00 0.00 WT3 H ATOM 40617 H2 TIP3 3625 26.076 16.583 -5.110 1.00 0.00 WT3 H ATOM 40618 OH2 TIP3 3626 53.009 55.840 -6.706 1.00 0.00 WT3 O ATOM 40619 H1 TIP3 3626 52.864 55.888 -7.651 1.00 0.00 WT3 H ATOM 40620 H2 TIP3 3626 52.548 56.601 -6.354 1.00 0.00 WT3 H ATOM 40621 OH2 TIP3 3627 25.806 51.328 -1.934 1.00 0.00 WT3 O ATOM 40622 H1 TIP3 3627 25.833 50.923 -1.067 1.00 0.00 WT3 H ATOM 40623 H2 TIP3 3627 24.880 51.315 -2.177 1.00 0.00 WT3 H ATOM 40624 OH2 TIP3 3628 46.442 81.638 30.686 1.00 0.00 WT3 O ATOM 40625 H1 TIP3 3628 46.561 80.710 30.891 1.00 0.00 WT3 H ATOM 40626 H2 TIP3 3628 46.253 81.654 29.747 1.00 0.00 WT3 H ATOM 40627 OH2 TIP3 3629 73.272 72.628 -9.961 1.00 0.00 WT3 O ATOM 40628 H1 TIP3 3629 72.966 72.635 -9.054 1.00 0.00 WT3 H ATOM 40629 H2 TIP3 3629 74.204 72.418 -9.898 1.00 0.00 WT3 H ATOM 40630 OH2 TIP3 3630 42.256 10.023 28.327 1.00 0.00 WT3 O ATOM 40631 H1 TIP3 3630 42.513 10.704 27.705 1.00 0.00 WT3 H ATOM 40632 H2 TIP3 3630 43.074 9.767 28.753 1.00 0.00 WT3 H ATOM 40633 OH2 TIP3 3632 62.986 50.538 11.689 1.00 0.00 WT3 O ATOM 40634 H1 TIP3 3632 62.103 50.660 12.036 1.00 0.00 WT3 H ATOM 40635 H2 TIP3 3632 63.453 50.070 12.381 1.00 0.00 WT3 H ATOM 40636 OH2 TIP3 3633 80.918 31.426 7.955 1.00 0.00 WT3 O ATOM 40637 H1 TIP3 3633 80.893 32.340 7.671 1.00 0.00 WT3 H ATOM 40638 H2 TIP3 3633 80.033 31.250 8.274 1.00 0.00 WT3 H ATOM 40639 OH2 TIP3 3634 50.089 0.998 -4.049 1.00 0.00 WT3 O ATOM 40640 H1 TIP3 3634 49.237 1.065 -3.618 1.00 0.00 WT3 H ATOM 40641 H2 TIP3 3634 50.718 0.942 -3.329 1.00 0.00 WT3 H ATOM 40642 OH2 TIP3 3635 34.432 64.927 42.475 1.00 0.00 WT3 O ATOM 40643 H1 TIP3 3635 34.776 65.540 41.825 1.00 0.00 WT3 H ATOM 40644 H2 TIP3 3635 34.846 64.092 42.259 1.00 0.00 WT3 H ATOM 40645 OH2 TIP3 3636 77.919 62.451 9.514 1.00 0.00 WT3 O ATOM 40646 H1 TIP3 3636 77.178 62.681 10.074 1.00 0.00 WT3 H ATOM 40647 H2 TIP3 3636 77.560 62.452 8.627 1.00 0.00 WT3 H ATOM 40648 OH2 TIP3 3637 59.117 23.108 1.989 1.00 0.00 WT3 O ATOM 40649 H1 TIP3 3637 59.186 23.840 2.603 1.00 0.00 WT3 H ATOM 40650 H2 TIP3 3637 58.447 22.540 2.369 1.00 0.00 WT3 H ATOM 40651 OH2 TIP3 3638 45.239 70.721 65.122 1.00 0.00 WT3 O ATOM 40652 H1 TIP3 3638 45.851 70.392 64.464 1.00 0.00 WT3 H ATOM 40653 H2 TIP3 3638 45.724 70.671 65.946 1.00 0.00 WT3 H ATOM 40654 OH2 TIP3 3639 80.816 20.960 63.826 1.00 0.00 WT3 O ATOM 40655 H1 TIP3 3639 81.211 21.820 63.679 1.00 0.00 WT3 H ATOM 40656 H2 TIP3 3639 81.092 20.438 63.073 1.00 0.00 WT3 H ATOM 40657 OH2 TIP3 3640 79.831 44.939 21.426 1.00 0.00 WT3 O ATOM 40658 H1 TIP3 3640 80.664 44.528 21.197 1.00 0.00 WT3 H ATOM 40659 H2 TIP3 3640 79.838 44.979 22.382 1.00 0.00 WT3 H ATOM 40660 OH2 TIP3 3641 77.064 61.143 52.238 1.00 0.00 WT3 O ATOM 40661 H1 TIP3 3641 76.256 61.590 51.987 1.00 0.00 WT3 H ATOM 40662 H2 TIP3 3641 76.783 60.467 52.854 1.00 0.00 WT3 H ATOM 40663 OH2 TIP3 3644 32.250 45.638 26.759 1.00 0.00 WT3 O ATOM 40664 H1 TIP3 3644 31.663 46.343 26.488 1.00 0.00 WT3 H ATOM 40665 H2 TIP3 3644 33.113 46.050 26.810 1.00 0.00 WT3 H ATOM 40666 OH2 TIP3 3645 39.601 71.168 62.455 1.00 0.00 WT3 O ATOM 40667 H1 TIP3 3645 40.158 70.816 63.149 1.00 0.00 WT3 H ATOM 40668 H2 TIP3 3645 38.864 71.567 62.918 1.00 0.00 WT3 H ATOM 40669 OH2 TIP3 3646 57.265 88.011 5.680 1.00 0.00 WT3 O ATOM 40670 H1 TIP3 3646 57.057 88.112 4.751 1.00 0.00 WT3 H ATOM 40671 H2 TIP3 3646 57.597 88.868 5.946 1.00 0.00 WT3 H ATOM 40672 OH2 TIP3 3647 62.421 70.127 49.338 1.00 0.00 WT3 O ATOM 40673 H1 TIP3 3647 63.153 70.321 49.923 1.00 0.00 WT3 H ATOM 40674 H2 TIP3 3647 62.201 69.214 49.523 1.00 0.00 WT3 H ATOM 40675 OH2 TIP3 3648 56.416 9.838 59.460 1.00 0.00 WT3 O ATOM 40676 H1 TIP3 3648 56.066 9.907 58.571 1.00 0.00 WT3 H ATOM 40677 H2 TIP3 3648 56.329 8.911 59.681 1.00 0.00 WT3 H ATOM 40678 OH2 TIP3 3649 56.553 83.867 42.254 1.00 0.00 WT3 O ATOM 40679 H1 TIP3 3649 56.600 82.994 42.643 1.00 0.00 WT3 H ATOM 40680 H2 TIP3 3649 56.460 83.707 41.315 1.00 0.00 WT3 H ATOM 40681 OH2 TIP3 3650 29.679 36.741 54.483 1.00 0.00 WT3 O ATOM 40682 H1 TIP3 3650 28.928 36.764 53.890 1.00 0.00 WT3 H ATOM 40683 H2 TIP3 3650 30.433 36.603 53.910 1.00 0.00 WT3 H ATOM 40684 OH2 TIP3 3651 59.395 32.819 60.712 1.00 0.00 WT3 O ATOM 40685 H1 TIP3 3651 59.611 33.348 59.945 1.00 0.00 WT3 H ATOM 40686 H2 TIP3 3651 58.712 33.316 61.163 1.00 0.00 WT3 H ATOM 40687 OH2 TIP3 3652 32.530 65.971 -10.482 1.00 0.00 WT3 O ATOM 40688 H1 TIP3 3652 31.689 66.066 -10.036 1.00 0.00 WT3 H ATOM 40689 H2 TIP3 3652 32.362 65.335 -11.178 1.00 0.00 WT3 H ATOM 40690 OH2 TIP3 3653 65.362 78.745 -0.401 1.00 0.00 WT3 O ATOM 40691 H1 TIP3 3653 66.116 78.160 -0.326 1.00 0.00 WT3 H ATOM 40692 H2 TIP3 3653 64.635 78.249 -0.025 1.00 0.00 WT3 H ATOM 40693 OH2 TIP3 3654 60.303 84.623 14.935 1.00 0.00 WT3 O ATOM 40694 H1 TIP3 3654 59.937 84.178 14.171 1.00 0.00 WT3 H ATOM 40695 H2 TIP3 3654 59.615 84.568 15.598 1.00 0.00 WT3 H ATOM 40696 OH2 TIP3 3655 47.470 92.017 31.055 1.00 0.00 WT3 O ATOM 40697 H1 TIP3 3655 47.858 91.304 31.561 1.00 0.00 WT3 H ATOM 40698 H2 TIP3 3655 46.543 92.003 31.293 1.00 0.00 WT3 H ATOM 40699 OH2 TIP3 3656 74.095 69.304 40.324 1.00 0.00 WT3 O ATOM 40700 H1 TIP3 3656 74.106 69.266 39.367 1.00 0.00 WT3 H ATOM 40701 H2 TIP3 3656 73.831 68.425 40.596 1.00 0.00 WT3 H ATOM 40702 OH2 TIP3 3657 61.755 5.317 -13.743 1.00 0.00 WT3 O ATOM 40703 H1 TIP3 3657 61.482 4.658 -13.105 1.00 0.00 WT3 H ATOM 40704 H2 TIP3 3657 62.549 5.699 -13.368 1.00 0.00 WT3 H ATOM 40705 OH2 TIP3 3658 34.987 92.021 -1.621 1.00 0.00 WT3 O ATOM 40706 H1 TIP3 3658 34.761 91.888 -2.541 1.00 0.00 WT3 H ATOM 40707 H2 TIP3 3658 34.189 91.794 -1.143 1.00 0.00 WT3 H ATOM 40708 OH2 TIP3 3660 41.253 33.171 9.076 1.00 0.00 WT3 O ATOM 40709 H1 TIP3 3660 41.533 33.870 9.667 1.00 0.00 WT3 H ATOM 40710 H2 TIP3 3660 40.302 33.269 9.022 1.00 0.00 WT3 H ATOM 40711 OH2 TIP3 3661 50.796 36.169 61.591 1.00 0.00 WT3 O ATOM 40712 H1 TIP3 3661 51.571 36.369 62.116 1.00 0.00 WT3 H ATOM 40713 H2 TIP3 3661 50.288 36.980 61.595 1.00 0.00 WT3 H ATOM 40714 OH2 TIP3 3662 65.815 21.217 -19.447 1.00 0.00 WT3 O ATOM 40715 H1 TIP3 3662 66.222 22.042 -19.711 1.00 0.00 WT3 H ATOM 40716 H2 TIP3 3662 66.349 20.908 -18.715 1.00 0.00 WT3 H ATOM 40717 OH2 TIP3 3663 26.175 28.966 17.640 1.00 0.00 WT3 O ATOM 40718 H1 TIP3 3663 26.688 29.511 17.043 1.00 0.00 WT3 H ATOM 40719 H2 TIP3 3663 25.350 29.439 17.748 1.00 0.00 WT3 H ATOM 40720 OH2 TIP3 3665 88.808 71.632 56.240 1.00 0.00 WT3 O ATOM 40721 H1 TIP3 3665 89.720 71.448 56.462 1.00 0.00 WT3 H ATOM 40722 H2 TIP3 3665 88.597 71.005 55.548 1.00 0.00 WT3 H ATOM 40723 OH2 TIP3 3666 22.842 49.410 19.023 1.00 0.00 WT3 O ATOM 40724 H1 TIP3 3666 22.547 50.321 19.016 1.00 0.00 WT3 H ATOM 40725 H2 TIP3 3666 22.495 49.052 19.839 1.00 0.00 WT3 H ATOM 40726 OH2 TIP3 3667 47.369 20.553 42.342 1.00 0.00 WT3 O ATOM 40727 H1 TIP3 3667 46.517 20.384 41.939 1.00 0.00 WT3 H ATOM 40728 H2 TIP3 3667 47.771 19.688 42.425 1.00 0.00 WT3 H ATOM 40729 OH2 TIP3 3669 24.674 94.853 41.320 1.00 0.00 WT3 O ATOM 40730 H1 TIP3 3669 24.454 94.486 40.463 1.00 0.00 WT3 H ATOM 40731 H2 TIP3 3669 23.827 95.053 41.719 1.00 0.00 WT3 H ATOM 40732 OH2 TIP3 3670 82.294 7.829 65.484 1.00 0.00 WT3 O ATOM 40733 H1 TIP3 3670 82.650 7.605 66.344 1.00 0.00 WT3 H ATOM 40734 H2 TIP3 3670 81.415 8.160 65.667 1.00 0.00 WT3 H ATOM 40735 OH2 TIP3 3671 46.799 90.694 33.950 1.00 0.00 WT3 O ATOM 40736 H1 TIP3 3671 47.388 90.358 33.275 1.00 0.00 WT3 H ATOM 40737 H2 TIP3 3671 45.932 90.384 33.689 1.00 0.00 WT3 H ATOM 40738 OH2 TIP3 3672 41.903 44.560 66.572 1.00 0.00 WT3 O ATOM 40739 H1 TIP3 3672 42.088 45.491 66.443 1.00 0.00 WT3 H ATOM 40740 H2 TIP3 3672 42.419 44.318 67.341 1.00 0.00 WT3 H ATOM 40741 OH2 TIP3 3673 50.908 11.077 -17.795 1.00 0.00 WT3 O ATOM 40742 H1 TIP3 3673 50.009 11.114 -18.122 1.00 0.00 WT3 H ATOM 40743 H2 TIP3 3673 51.153 10.155 -17.872 1.00 0.00 WT3 H ATOM 40744 OH2 TIP3 3674 30.597 54.197 1.673 1.00 0.00 WT3 O ATOM 40745 H1 TIP3 3674 30.012 53.440 1.692 1.00 0.00 WT3 H ATOM 40746 H2 TIP3 3674 30.588 54.530 2.571 1.00 0.00 WT3 H ATOM 40747 OH2 TIP3 3675 68.203 10.453 44.132 1.00 0.00 WT3 O ATOM 40748 H1 TIP3 3675 68.957 10.754 44.640 1.00 0.00 WT3 H ATOM 40749 H2 TIP3 3675 67.653 9.996 44.768 1.00 0.00 WT3 H ATOM 40750 OH2 TIP3 3676 36.202 57.084 -6.146 1.00 0.00 WT3 O ATOM 40751 H1 TIP3 3676 36.188 56.173 -5.851 1.00 0.00 WT3 H ATOM 40752 H2 TIP3 3676 35.300 57.385 -6.040 1.00 0.00 WT3 H ATOM 40753 OH2 TIP3 3678 71.356 69.725 20.906 1.00 0.00 WT3 O ATOM 40754 H1 TIP3 3678 71.062 68.817 20.838 1.00 0.00 WT3 H ATOM 40755 H2 TIP3 3678 71.350 70.047 20.004 1.00 0.00 WT3 H ATOM 40756 OH2 TIP3 3680 57.835 56.201 55.202 1.00 0.00 WT3 O ATOM 40757 H1 TIP3 3680 57.751 57.140 55.370 1.00 0.00 WT3 H ATOM 40758 H2 TIP3 3680 57.256 56.039 54.456 1.00 0.00 WT3 H ATOM 40759 OH2 TIP3 3682 60.707 66.349 -15.695 1.00 0.00 WT3 O ATOM 40760 H1 TIP3 3682 59.982 66.582 -16.274 1.00 0.00 WT3 H ATOM 40761 H2 TIP3 3682 60.294 66.188 -14.846 1.00 0.00 WT3 H ATOM 40762 OH2 TIP3 3684 69.110 52.870 -0.772 1.00 0.00 WT3 O ATOM 40763 H1 TIP3 3684 68.157 52.904 -0.696 1.00 0.00 WT3 H ATOM 40764 H2 TIP3 3684 69.289 52.021 -1.177 1.00 0.00 WT3 H ATOM 40765 OH2 TIP3 3685 27.690 17.875 19.126 1.00 0.00 WT3 O ATOM 40766 H1 TIP3 3685 26.933 17.408 18.772 1.00 0.00 WT3 H ATOM 40767 H2 TIP3 3685 27.772 18.653 18.573 1.00 0.00 WT3 H ATOM 40768 OH2 TIP3 3686 64.752 78.619 -3.599 1.00 0.00 WT3 O ATOM 40769 H1 TIP3 3686 64.919 77.933 -2.953 1.00 0.00 WT3 H ATOM 40770 H2 TIP3 3686 65.538 79.165 -3.577 1.00 0.00 WT3 H ATOM 40771 OH2 TIP3 3688 35.805 0.986 18.690 1.00 0.00 WT3 O ATOM 40772 H1 TIP3 3688 35.255 0.245 18.436 1.00 0.00 WT3 H ATOM 40773 H2 TIP3 3688 36.607 0.585 19.025 1.00 0.00 WT3 H ATOM 40774 OH2 TIP3 3689 27.890 87.031 12.129 1.00 0.00 WT3 O ATOM 40775 H1 TIP3 3689 28.411 86.241 12.271 1.00 0.00 WT3 H ATOM 40776 H2 TIP3 3689 28.467 87.749 12.388 1.00 0.00 WT3 H ATOM 40777 OH2 TIP3 3690 24.906 40.226 54.343 1.00 0.00 WT3 O ATOM 40778 H1 TIP3 3690 24.848 39.603 55.068 1.00 0.00 WT3 H ATOM 40779 H2 TIP3 3690 25.812 40.535 54.365 1.00 0.00 WT3 H ATOM 40780 OH2 TIP3 3691 77.838 45.679 34.671 1.00 0.00 WT3 O ATOM 40781 H1 TIP3 3691 77.034 45.167 34.762 1.00 0.00 WT3 H ATOM 40782 H2 TIP3 3691 78.029 45.987 35.557 1.00 0.00 WT3 H ATOM 40783 OH2 TIP3 3692 85.112 54.862 31.640 1.00 0.00 WT3 O ATOM 40784 H1 TIP3 3692 85.585 54.117 32.011 1.00 0.00 WT3 H ATOM 40785 H2 TIP3 3692 84.550 54.478 30.967 1.00 0.00 WT3 H ATOM 40786 OH2 TIP3 3693 81.484 2.362 32.767 1.00 0.00 WT3 O ATOM 40787 H1 TIP3 3693 82.243 1.791 32.649 1.00 0.00 WT3 H ATOM 40788 H2 TIP3 3693 81.374 2.422 33.716 1.00 0.00 WT3 H ATOM 40789 OH2 TIP3 3694 63.185 13.816 1.605 1.00 0.00 WT3 O ATOM 40790 H1 TIP3 3694 63.807 13.973 2.315 1.00 0.00 WT3 H ATOM 40791 H2 TIP3 3694 62.344 13.691 2.045 1.00 0.00 WT3 H ATOM 40792 OH2 TIP3 3695 75.118 37.112 63.774 1.00 0.00 WT3 O ATOM 40793 H1 TIP3 3695 74.307 36.815 64.188 1.00 0.00 WT3 H ATOM 40794 H2 TIP3 3695 75.215 38.020 64.062 1.00 0.00 WT3 H ATOM 40795 OH2 TIP3 3696 63.331 60.798 22.204 1.00 0.00 WT3 O ATOM 40796 H1 TIP3 3696 62.902 60.295 21.512 1.00 0.00 WT3 H ATOM 40797 H2 TIP3 3696 62.773 61.567 22.323 1.00 0.00 WT3 H ATOM 40798 OH2 TIP3 3697 27.117 11.243 32.424 1.00 0.00 WT3 O ATOM 40799 H1 TIP3 3697 26.389 11.044 31.835 1.00 0.00 WT3 H ATOM 40800 H2 TIP3 3697 26.977 10.673 33.180 1.00 0.00 WT3 H ATOM 40801 OH2 TIP3 3700 62.771 81.958 56.351 1.00 0.00 WT3 O ATOM 40802 H1 TIP3 3700 63.192 81.469 55.644 1.00 0.00 WT3 H ATOM 40803 H2 TIP3 3700 63.454 82.058 57.014 1.00 0.00 WT3 H ATOM 40804 OH2 TIP3 3701 47.000 29.056 -6.781 1.00 0.00 WT3 O ATOM 40805 H1 TIP3 3701 46.899 28.193 -6.380 1.00 0.00 WT3 H ATOM 40806 H2 TIP3 3701 46.337 29.080 -7.470 1.00 0.00 WT3 H ATOM 40807 OH2 TIP3 3703 37.434 58.589 48.527 1.00 0.00 WT3 O ATOM 40808 H1 TIP3 3703 37.277 59.068 49.341 1.00 0.00 WT3 H ATOM 40809 H2 TIP3 3703 38.309 58.865 48.253 1.00 0.00 WT3 H ATOM 40810 OH2 TIP3 3704 30.098 44.007 0.113 1.00 0.00 WT3 O ATOM 40811 H1 TIP3 3704 30.201 43.835 1.049 1.00 0.00 WT3 H ATOM 40812 H2 TIP3 3704 29.185 44.278 0.018 1.00 0.00 WT3 H ATOM 40813 OH2 TIP3 3707 35.627 83.041 5.528 1.00 0.00 WT3 O ATOM 40814 H1 TIP3 3707 35.681 82.094 5.658 1.00 0.00 WT3 H ATOM 40815 H2 TIP3 3707 36.401 83.388 5.971 1.00 0.00 WT3 H ATOM 40816 OH2 TIP3 3708 82.744 53.622 23.499 1.00 0.00 WT3 O ATOM 40817 H1 TIP3 3708 82.510 53.583 24.426 1.00 0.00 WT3 H ATOM 40818 H2 TIP3 3708 81.961 53.966 23.069 1.00 0.00 WT3 H ATOM 40819 OH2 TIP3 3709 76.171 88.790 39.825 1.00 0.00 WT3 O ATOM 40820 H1 TIP3 3709 75.823 88.318 40.581 1.00 0.00 WT3 H ATOM 40821 H2 TIP3 3709 75.838 89.682 39.924 1.00 0.00 WT3 H ATOM 40822 OH2 TIP3 3710 73.609 85.179 35.121 1.00 0.00 WT3 O ATOM 40823 H1 TIP3 3710 73.284 85.274 34.226 1.00 0.00 WT3 H ATOM 40824 H2 TIP3 3710 74.521 84.907 35.019 1.00 0.00 WT3 H ATOM 40825 OH2 TIP3 3712 68.969 57.081 26.104 1.00 0.00 WT3 O ATOM 40826 H1 TIP3 3712 69.027 56.130 26.197 1.00 0.00 WT3 H ATOM 40827 H2 TIP3 3712 68.034 57.254 25.989 1.00 0.00 WT3 H ATOM 40828 OH2 TIP3 3715 63.597 72.494 31.552 1.00 0.00 WT3 O ATOM 40829 H1 TIP3 3715 62.786 72.048 31.308 1.00 0.00 WT3 H ATOM 40830 H2 TIP3 3715 64.100 71.834 32.030 1.00 0.00 WT3 H ATOM 40831 OH2 TIP3 3716 47.362 78.844 42.798 1.00 0.00 WT3 O ATOM 40832 H1 TIP3 3716 46.947 79.699 42.911 1.00 0.00 WT3 H ATOM 40833 H2 TIP3 3716 47.246 78.407 43.641 1.00 0.00 WT3 H ATOM 40834 OH2 TIP3 3717 20.583 5.088 40.897 1.00 0.00 WT3 O ATOM 40835 H1 TIP3 3717 19.709 5.292 41.230 1.00 0.00 WT3 H ATOM 40836 H2 TIP3 3717 21.129 5.817 41.194 1.00 0.00 WT3 H ATOM 40837 OH2 TIP3 3718 66.828 80.861 9.403 1.00 0.00 WT3 O ATOM 40838 H1 TIP3 3718 66.107 81.146 8.841 1.00 0.00 WT3 H ATOM 40839 H2 TIP3 3718 66.463 80.139 9.914 1.00 0.00 WT3 H ATOM 40840 OH2 TIP3 3720 53.178 57.014 61.335 1.00 0.00 WT3 O ATOM 40841 H1 TIP3 3720 52.965 57.185 60.417 1.00 0.00 WT3 H ATOM 40842 H2 TIP3 3720 52.622 56.273 61.576 1.00 0.00 WT3 H ATOM 40843 OH2 TIP3 3721 25.332 64.828 65.236 1.00 0.00 WT3 O ATOM 40844 H1 TIP3 3721 25.601 63.927 65.413 1.00 0.00 WT3 H ATOM 40845 H2 TIP3 3721 26.145 65.332 65.271 1.00 0.00 WT3 H ATOM 40846 OH2 TIP3 3722 35.226 81.098 52.778 1.00 0.00 WT3 O ATOM 40847 H1 TIP3 3722 35.377 80.895 53.701 1.00 0.00 WT3 H ATOM 40848 H2 TIP3 3722 35.034 82.036 52.766 1.00 0.00 WT3 H ATOM 40849 OH2 TIP3 3723 76.512 4.153 -13.766 1.00 0.00 WT3 O ATOM 40850 H1 TIP3 3723 75.940 3.445 -14.062 1.00 0.00 WT3 H ATOM 40851 H2 TIP3 3723 76.206 4.355 -12.882 1.00 0.00 WT3 H ATOM 40852 OH2 TIP3 3724 57.432 63.394 -12.619 1.00 0.00 WT3 O ATOM 40853 H1 TIP3 3724 56.564 63.271 -12.234 1.00 0.00 WT3 H ATOM 40854 H2 TIP3 3724 58.033 62.996 -11.989 1.00 0.00 WT3 H ATOM 40855 OH2 TIP3 3725 28.836 73.453 58.494 1.00 0.00 WT3 O ATOM 40856 H1 TIP3 3725 29.574 72.902 58.232 1.00 0.00 WT3 H ATOM 40857 H2 TIP3 3725 29.228 74.137 59.036 1.00 0.00 WT3 H ATOM 40858 OH2 TIP3 3726 33.428 17.282 20.146 1.00 0.00 WT3 O ATOM 40859 H1 TIP3 3726 33.092 17.400 19.257 1.00 0.00 WT3 H ATOM 40860 H2 TIP3 3726 33.574 18.171 20.468 1.00 0.00 WT3 H ATOM 40861 OH2 TIP3 3727 52.270 8.605 46.361 1.00 0.00 WT3 O ATOM 40862 H1 TIP3 3727 51.462 8.094 46.402 1.00 0.00 WT3 H ATOM 40863 H2 TIP3 3727 52.887 8.123 46.911 1.00 0.00 WT3 H ATOM 40864 OH2 TIP3 3728 60.693 24.171 28.308 1.00 0.00 WT3 O ATOM 40865 H1 TIP3 3728 60.447 24.777 29.007 1.00 0.00 WT3 H ATOM 40866 H2 TIP3 3728 61.408 24.612 27.849 1.00 0.00 WT3 H ATOM 40867 OH2 TIP3 3729 82.417 4.711 -17.205 1.00 0.00 WT3 O ATOM 40868 H1 TIP3 3729 83.056 4.924 -16.525 1.00 0.00 WT3 H ATOM 40869 H2 TIP3 3729 81.813 4.100 -16.784 1.00 0.00 WT3 H ATOM 40870 OH2 TIP3 3732 64.752 89.655 32.918 1.00 0.00 WT3 O ATOM 40871 H1 TIP3 3732 65.682 89.600 32.700 1.00 0.00 WT3 H ATOM 40872 H2 TIP3 3732 64.681 89.233 33.775 1.00 0.00 WT3 H ATOM 40873 OH2 TIP3 3733 27.766 36.907 37.201 1.00 0.00 WT3 O ATOM 40874 H1 TIP3 3733 28.036 37.720 36.774 1.00 0.00 WT3 H ATOM 40875 H2 TIP3 3733 27.271 36.437 36.529 1.00 0.00 WT3 H ATOM 40876 OH2 TIP3 3734 67.507 62.038 39.283 1.00 0.00 WT3 O ATOM 40877 H1 TIP3 3734 67.444 62.323 38.372 1.00 0.00 WT3 H ATOM 40878 H2 TIP3 3734 67.633 61.090 39.230 1.00 0.00 WT3 H ATOM 40879 OH2 TIP3 3736 80.616 82.305 56.467 1.00 0.00 WT3 O ATOM 40880 H1 TIP3 3736 80.969 82.940 57.091 1.00 0.00 WT3 H ATOM 40881 H2 TIP3 3736 80.517 82.797 55.653 1.00 0.00 WT3 H ATOM 40882 OH2 TIP3 3738 31.621 14.611 58.805 1.00 0.00 WT3 O ATOM 40883 H1 TIP3 3738 30.829 14.183 58.481 1.00 0.00 WT3 H ATOM 40884 H2 TIP3 3738 31.569 14.523 59.757 1.00 0.00 WT3 H ATOM 40885 OH2 TIP3 3740 82.525 57.668 7.756 1.00 0.00 WT3 O ATOM 40886 H1 TIP3 3740 83.073 56.997 7.350 1.00 0.00 WT3 H ATOM 40887 H2 TIP3 3740 81.630 57.346 7.647 1.00 0.00 WT3 H ATOM 40888 OH2 TIP3 3741 42.381 1.897 1.638 1.00 0.00 WT3 O ATOM 40889 H1 TIP3 3741 41.564 2.297 1.341 1.00 0.00 WT3 H ATOM 40890 H2 TIP3 3741 42.968 1.961 0.885 1.00 0.00 WT3 H ATOM 40891 OH2 TIP3 3742 56.978 57.875 59.078 1.00 0.00 WT3 O ATOM 40892 H1 TIP3 3742 57.715 57.330 58.804 1.00 0.00 WT3 H ATOM 40893 H2 TIP3 3742 56.320 57.253 59.385 1.00 0.00 WT3 H ATOM 40894 OH2 TIP3 3745 84.038 81.827 55.237 1.00 0.00 WT3 O ATOM 40895 H1 TIP3 3745 83.311 81.211 55.149 1.00 0.00 WT3 H ATOM 40896 H2 TIP3 3745 83.933 82.428 54.499 1.00 0.00 WT3 H ATOM 40897 OH2 TIP3 3750 23.828 30.195 42.986 1.00 0.00 WT3 O ATOM 40898 H1 TIP3 3750 23.600 30.282 43.911 1.00 0.00 WT3 H ATOM 40899 H2 TIP3 3750 23.150 29.624 42.624 1.00 0.00 WT3 H ATOM 40900 OH2 TIP3 3751 52.096 11.775 16.500 1.00 0.00 WT3 O ATOM 40901 H1 TIP3 3751 52.646 12.221 17.144 1.00 0.00 WT3 H ATOM 40902 H2 TIP3 3751 51.378 11.404 17.013 1.00 0.00 WT3 H ATOM 40903 OH2 TIP3 3753 38.544 81.286 12.969 1.00 0.00 WT3 O ATOM 40904 H1 TIP3 3753 39.374 81.584 12.598 1.00 0.00 WT3 H ATOM 40905 H2 TIP3 3753 38.760 81.033 13.867 1.00 0.00 WT3 H ATOM 40906 OH2 TIP3 3754 32.632 2.725 -12.935 1.00 0.00 WT3 O ATOM 40907 H1 TIP3 3754 33.310 2.841 -12.269 1.00 0.00 WT3 H ATOM 40908 H2 TIP3 3754 32.214 1.894 -12.711 1.00 0.00 WT3 H ATOM 40909 OH2 TIP3 3757 32.534 61.711 54.227 1.00 0.00 WT3 O ATOM 40910 H1 TIP3 3757 33.014 61.747 53.400 1.00 0.00 WT3 H ATOM 40911 H2 TIP3 3757 31.688 61.326 53.996 1.00 0.00 WT3 H ATOM 40912 OH2 TIP3 3759 45.779 53.905 -14.688 1.00 0.00 WT3 O ATOM 40913 H1 TIP3 3759 45.529 54.210 -15.560 1.00 0.00 WT3 H ATOM 40914 H2 TIP3 3759 46.232 54.651 -14.294 1.00 0.00 WT3 H ATOM 40915 OH2 TIP3 3775 78.255 17.937 55.476 1.00 0.00 WT3 O ATOM 40916 H1 TIP3 3775 78.606 18.327 56.276 1.00 0.00 WT3 H ATOM 40917 H2 TIP3 3775 78.042 18.685 54.917 1.00 0.00 WT3 H ATOM 40918 OH2 TIP3 3778 30.822 20.132 39.107 1.00 0.00 WT3 O ATOM 40919 H1 TIP3 3778 30.628 19.275 39.487 1.00 0.00 WT3 H ATOM 40920 H2 TIP3 3778 30.787 20.736 39.849 1.00 0.00 WT3 H ATOM 40921 OH2 TIP3 3787 45.710 76.478 30.047 1.00 0.00 WT3 O ATOM 40922 H1 TIP3 3787 46.177 76.546 29.214 1.00 0.00 WT3 H ATOM 40923 H2 TIP3 3787 46.227 75.858 30.562 1.00 0.00 WT3 H ATOM 40924 OH2 TIP3 3792 62.994 58.926 -9.756 1.00 0.00 WT3 O ATOM 40925 H1 TIP3 3792 63.064 58.184 -9.155 1.00 0.00 WT3 H ATOM 40926 H2 TIP3 3792 62.392 59.530 -9.322 1.00 0.00 WT3 H ATOM 40927 OH2 TIP3 3795 76.088 80.423 27.219 1.00 0.00 WT3 O ATOM 40928 H1 TIP3 3795 75.406 79.820 26.923 1.00 0.00 WT3 H ATOM 40929 H2 TIP3 3795 75.727 81.294 27.050 1.00 0.00 WT3 H ATOM 40930 OH2 TIP3 3803 60.564 93.112 -8.315 1.00 0.00 WT3 O ATOM 40931 H1 TIP3 3803 60.159 93.482 -7.531 1.00 0.00 WT3 H ATOM 40932 H2 TIP3 3803 60.719 92.193 -8.094 1.00 0.00 WT3 H ATOM 40933 OH2 TIP3 3821 83.567 71.553 11.357 1.00 0.00 WT3 O ATOM 40934 H1 TIP3 3821 83.719 70.695 10.961 1.00 0.00 WT3 H ATOM 40935 H2 TIP3 3821 84.420 71.986 11.328 1.00 0.00 WT3 H ATOM 40936 OH2 TIP3 3829 26.584 34.911 8.469 1.00 0.00 WT3 O ATOM 40937 H1 TIP3 3829 26.253 35.585 9.063 1.00 0.00 WT3 H ATOM 40938 H2 TIP3 3829 27.065 35.397 7.799 1.00 0.00 WT3 H ATOM 40939 OH2 TIP3 3834 80.169 22.657 7.025 1.00 0.00 WT3 O ATOM 40940 H1 TIP3 3834 80.867 22.734 6.375 1.00 0.00 WT3 H ATOM 40941 H2 TIP3 3834 79.545 23.343 6.789 1.00 0.00 WT3 H ATOM 40942 OH2 TIP3 3906 25.655 33.212 57.540 1.00 0.00 WT3 O ATOM 40943 H1 TIP3 3906 24.868 33.383 58.057 1.00 0.00 WT3 H ATOM 40944 H2 TIP3 3906 25.872 32.299 57.728 1.00 0.00 WT3 H ATOM 40945 OH2 TIP3 3924 61.682 72.978 56.205 1.00 0.00 WT3 O ATOM 40946 H1 TIP3 3924 62.111 72.407 56.843 1.00 0.00 WT3 H ATOM 40947 H2 TIP3 3924 61.182 72.382 55.648 1.00 0.00 WT3 H ATOM 40948 OH2 TIP3 3925 49.899 80.331 36.458 1.00 0.00 WT3 O ATOM 40949 H1 TIP3 3925 49.721 79.436 36.170 1.00 0.00 WT3 H ATOM 40950 H2 TIP3 3925 49.323 80.875 35.921 1.00 0.00 WT3 H ATOM 40951 OH2 TIP3 3931 63.494 28.766 -7.349 1.00 0.00 WT3 O ATOM 40952 H1 TIP3 3931 63.299 28.947 -6.430 1.00 0.00 WT3 H ATOM 40953 H2 TIP3 3931 63.027 29.447 -7.833 1.00 0.00 WT3 H ATOM 40954 OH2 TIP3 3933 55.703 91.822 6.425 1.00 0.00 WT3 O ATOM 40955 H1 TIP3 3933 54.906 92.323 6.256 1.00 0.00 WT3 H ATOM 40956 H2 TIP3 3933 56.404 92.348 6.038 1.00 0.00 WT3 H ATOM 40957 OH2 TIP3 3935 72.245 49.978 51.943 1.00 0.00 WT3 O ATOM 40958 H1 TIP3 3935 72.683 50.035 52.792 1.00 0.00 WT3 H ATOM 40959 H2 TIP3 3935 71.620 50.703 51.947 1.00 0.00 WT3 H ATOM 40960 OH2 TIP3 3951 26.459 15.122 52.785 1.00 0.00 WT3 O ATOM 40961 H1 TIP3 3951 26.499 16.060 52.972 1.00 0.00 WT3 H ATOM 40962 H2 TIP3 3951 25.925 14.760 53.492 1.00 0.00 WT3 H ATOM 40963 OH2 TIP3 3953 55.644 59.235 15.502 1.00 0.00 WT3 O ATOM 40964 H1 TIP3 3953 56.078 59.664 14.765 1.00 0.00 WT3 H ATOM 40965 H2 TIP3 3953 55.421 59.950 16.098 1.00 0.00 WT3 H ATOM 40966 OH2 TIP3 3973 25.855 83.551 -5.114 1.00 0.00 WT3 O ATOM 40967 H1 TIP3 3973 25.144 83.805 -4.525 1.00 0.00 WT3 H ATOM 40968 H2 TIP3 3973 26.036 84.339 -5.625 1.00 0.00 WT3 H ATOM 40969 OH2 TIP3 3974 34.878 79.695 5.504 1.00 0.00 WT3 O ATOM 40970 H1 TIP3 3974 34.448 78.961 5.943 1.00 0.00 WT3 H ATOM 40971 H2 TIP3 3974 34.177 80.329 5.353 1.00 0.00 WT3 H ATOM 40972 OH2 TIP3 3975 62.657 41.100 4.395 1.00 0.00 WT3 O ATOM 40973 H1 TIP3 3975 61.976 40.536 4.029 1.00 0.00 WT3 H ATOM 40974 H2 TIP3 3975 62.220 41.578 5.100 1.00 0.00 WT3 H ATOM 40975 OH2 TIP3 3976 37.603 36.614 -19.098 1.00 0.00 WT3 O ATOM 40976 H1 TIP3 3976 36.726 36.878 -19.380 1.00 0.00 WT3 H ATOM 40977 H2 TIP3 3976 37.914 37.347 -18.566 1.00 0.00 WT3 H ATOM 40978 OH2 TIP3 3977 53.543 11.241 43.120 1.00 0.00 WT3 O ATOM 40979 H1 TIP3 3977 54.242 11.389 43.757 1.00 0.00 WT3 H ATOM 40980 H2 TIP3 3977 53.335 10.311 43.204 1.00 0.00 WT3 H ATOM 40981 OH2 TIP3 3986 51.660 89.490 41.321 1.00 0.00 WT3 O ATOM 40982 H1 TIP3 3986 52.423 90.042 41.495 1.00 0.00 WT3 H ATOM 40983 H2 TIP3 3986 52.024 88.616 41.178 1.00 0.00 WT3 H ATOM 40984 OH2 TIP3 3991 54.361 84.616 1.589 1.00 0.00 WT3 O ATOM 40985 H1 TIP3 3991 53.845 85.252 1.094 1.00 0.00 WT3 H ATOM 40986 H2 TIP3 3991 53.829 84.423 2.360 1.00 0.00 WT3 H ATOM 40987 OH2 TIP3 3992 75.568 57.410 2.639 1.00 0.00 WT3 O ATOM 40988 H1 TIP3 3992 75.324 57.168 1.746 1.00 0.00 WT3 H ATOM 40989 H2 TIP3 3992 74.751 57.709 3.039 1.00 0.00 WT3 H ATOM 40990 OH2 TIP3 3993 74.979 52.919 52.761 1.00 0.00 WT3 O ATOM 40991 H1 TIP3 3993 74.490 52.646 51.984 1.00 0.00 WT3 H ATOM 40992 H2 TIP3 3993 75.701 53.445 52.417 1.00 0.00 WT3 H ATOM 40993 OH2 TIP3 3995 82.756 87.879 -8.107 1.00 0.00 WT3 O ATOM 40994 H1 TIP3 3995 81.862 88.164 -7.922 1.00 0.00 WT3 H ATOM 40995 H2 TIP3 3995 82.818 87.010 -7.711 1.00 0.00 WT3 H ATOM 40996 OH2 TIP3 3996 47.472 20.201 -14.042 1.00 0.00 WT3 O ATOM 40997 H1 TIP3 3996 47.879 21.050 -14.220 1.00 0.00 WT3 H ATOM 40998 H2 TIP3 3996 47.269 20.224 -13.107 1.00 0.00 WT3 H ATOM 40999 OH2 TIP3 3997 56.265 14.448 55.698 1.00 0.00 WT3 O ATOM 41000 H1 TIP3 3997 55.479 14.435 55.152 1.00 0.00 WT3 H ATOM 41001 H2 TIP3 3997 56.294 15.335 56.057 1.00 0.00 WT3 H ATOM 41002 OH2 TIP3 4000 59.425 13.438 -4.005 1.00 0.00 WT3 O ATOM 41003 H1 TIP3 4000 60.072 13.191 -4.666 1.00 0.00 WT3 H ATOM 41004 H2 TIP3 4000 58.592 13.122 -4.355 1.00 0.00 WT3 H ATOM 41005 OH2 TIP3 4001 33.135 49.871 1.205 1.00 0.00 WT3 O ATOM 41006 H1 TIP3 4001 33.044 50.346 2.030 1.00 0.00 WT3 H ATOM 41007 H2 TIP3 4001 33.977 49.421 1.279 1.00 0.00 WT3 H ATOM 41008 OH2 TIP3 4007 76.923 92.821 17.237 1.00 0.00 WT3 O ATOM 41009 H1 TIP3 4007 76.256 92.292 16.799 1.00 0.00 WT3 H ATOM 41010 H2 TIP3 4007 77.684 92.244 17.298 1.00 0.00 WT3 H ATOM 41011 OH2 TIP3 4009 21.008 51.991 37.365 1.00 0.00 WT3 O ATOM 41012 H1 TIP3 4009 20.887 51.602 38.231 1.00 0.00 WT3 H ATOM 41013 H2 TIP3 4009 20.671 51.333 36.757 1.00 0.00 WT3 H ATOM 41014 OH2 TIP3 4010 81.327 9.838 -16.952 1.00 0.00 WT3 O ATOM 41015 H1 TIP3 4010 81.574 8.998 -17.338 1.00 0.00 WT3 H ATOM 41016 H2 TIP3 4010 81.099 9.629 -16.046 1.00 0.00 WT3 H ATOM 41017 OH2 TIP3 4012 60.008 52.354 -1.870 1.00 0.00 WT3 O ATOM 41018 H1 TIP3 4012 59.470 51.647 -1.514 1.00 0.00 WT3 H ATOM 41019 H2 TIP3 4012 59.886 53.079 -1.257 1.00 0.00 WT3 H ATOM 41020 OH2 TIP3 4013 57.467 68.618 39.040 1.00 0.00 WT3 O ATOM 41021 H1 TIP3 4013 57.515 69.333 38.406 1.00 0.00 WT3 H ATOM 41022 H2 TIP3 4013 57.132 67.875 38.539 1.00 0.00 WT3 H ATOM 41023 OH2 TIP3 4014 84.313 56.771 62.439 1.00 0.00 WT3 O ATOM 41024 H1 TIP3 4014 84.881 57.516 62.243 1.00 0.00 WT3 H ATOM 41025 H2 TIP3 4014 83.831 57.036 63.222 1.00 0.00 WT3 H ATOM 41026 OH2 TIP3 4015 59.626 73.226 35.421 1.00 0.00 WT3 O ATOM 41027 H1 TIP3 4015 59.000 72.785 34.847 1.00 0.00 WT3 H ATOM 41028 H2 TIP3 4015 59.103 73.870 35.898 1.00 0.00 WT3 H ATOM 41029 OH2 TIP3 4016 82.813 79.899 -17.909 1.00 0.00 WT3 O ATOM 41030 H1 TIP3 4016 82.835 80.408 -17.100 1.00 0.00 WT3 H ATOM 41031 H2 TIP3 4016 82.283 80.424 -18.509 1.00 0.00 WT3 H ATOM 41032 OH2 TIP3 4017 41.237 1.117 -2.145 1.00 0.00 WT3 O ATOM 41033 H1 TIP3 4017 41.600 1.850 -1.647 1.00 0.00 WT3 H ATOM 41034 H2 TIP3 4017 41.829 0.387 -1.963 1.00 0.00 WT3 H ATOM 41035 OH2 TIP3 4018 54.918 77.919 2.377 1.00 0.00 WT3 O ATOM 41036 H1 TIP3 4018 54.877 78.565 3.083 1.00 0.00 WT3 H ATOM 41037 H2 TIP3 4018 55.360 77.166 2.767 1.00 0.00 WT3 H ATOM 41038 OH2 TIP3 4019 39.422 81.913 21.155 1.00 0.00 WT3 O ATOM 41039 H1 TIP3 4019 39.175 81.048 20.829 1.00 0.00 WT3 H ATOM 41040 H2 TIP3 4019 38.592 82.327 21.392 1.00 0.00 WT3 H ATOM 41041 OH2 TIP3 4020 75.652 70.656 63.662 1.00 0.00 WT3 O ATOM 41042 H1 TIP3 4020 75.854 69.936 64.260 1.00 0.00 WT3 H ATOM 41043 H2 TIP3 4020 74.780 70.948 63.925 1.00 0.00 WT3 H ATOM 41044 OH2 TIP3 4021 76.840 70.438 17.551 1.00 0.00 WT3 O ATOM 41045 H1 TIP3 4021 76.809 71.245 17.036 1.00 0.00 WT3 H ATOM 41046 H2 TIP3 4021 76.045 69.966 17.306 1.00 0.00 WT3 H ATOM 41047 OH2 TIP3 4022 66.380 44.155 2.468 1.00 0.00 WT3 O ATOM 41048 H1 TIP3 4022 67.134 44.652 2.784 1.00 0.00 WT3 H ATOM 41049 H2 TIP3 4022 65.668 44.396 3.061 1.00 0.00 WT3 H ATOM 41050 OH2 TIP3 4025 88.488 89.834 20.908 1.00 0.00 WT3 O ATOM 41051 H1 TIP3 4025 87.894 89.169 20.560 1.00 0.00 WT3 H ATOM 41052 H2 TIP3 4025 87.927 90.589 21.084 1.00 0.00 WT3 H ATOM 41053 OH2 TIP3 4026 75.055 59.357 25.914 1.00 0.00 WT3 O ATOM 41054 H1 TIP3 4026 75.755 59.900 25.551 1.00 0.00 WT3 H ATOM 41055 H2 TIP3 4026 74.919 58.672 25.259 1.00 0.00 WT3 H ATOM 41056 OH2 TIP3 4030 83.744 88.689 67.094 1.00 0.00 WT3 O ATOM 41057 H1 TIP3 4030 83.959 89.432 66.530 1.00 0.00 WT3 H ATOM 41058 H2 TIP3 4030 84.404 88.029 66.882 1.00 0.00 WT3 H ATOM 41059 OH2 TIP3 4032 47.982 71.477 25.059 1.00 0.00 WT3 O ATOM 41060 H1 TIP3 4032 48.784 71.091 25.410 1.00 0.00 WT3 H ATOM 41061 H2 TIP3 4032 47.679 70.849 24.404 1.00 0.00 WT3 H ATOM 41062 OH2 TIP3 4035 27.674 32.449 7.547 1.00 0.00 WT3 O ATOM 41063 H1 TIP3 4035 27.431 33.349 7.764 1.00 0.00 WT3 H ATOM 41064 H2 TIP3 4035 26.871 31.945 7.679 1.00 0.00 WT3 H ATOM 41065 OH2 TIP3 4036 41.305 94.137 65.373 1.00 0.00 WT3 O ATOM 41066 H1 TIP3 4036 40.995 93.744 66.189 1.00 0.00 WT3 H ATOM 41067 H2 TIP3 4036 41.781 94.920 65.650 1.00 0.00 WT3 H ATOM 41068 OH2 TIP3 4037 62.838 65.285 -7.130 1.00 0.00 WT3 O ATOM 41069 H1 TIP3 4037 63.020 64.521 -6.584 1.00 0.00 WT3 H ATOM 41070 H2 TIP3 4037 61.924 65.499 -6.946 1.00 0.00 WT3 H ATOM 41071 OH2 TIP3 4039 83.062 26.312 53.338 1.00 0.00 WT3 O ATOM 41072 H1 TIP3 4039 83.167 26.912 52.599 1.00 0.00 WT3 H ATOM 41073 H2 TIP3 4039 83.920 25.899 53.436 1.00 0.00 WT3 H ATOM 41074 OH2 TIP3 4040 50.537 25.160 65.490 1.00 0.00 WT3 O ATOM 41075 H1 TIP3 4040 50.658 25.673 64.691 1.00 0.00 WT3 H ATOM 41076 H2 TIP3 4040 51.029 25.638 66.159 1.00 0.00 WT3 H ATOM 41077 OH2 TIP3 4043 34.939 91.989 -11.917 1.00 0.00 WT3 O ATOM 41078 H1 TIP3 4043 35.821 92.317 -12.091 1.00 0.00 WT3 H ATOM 41079 H2 TIP3 4043 34.882 91.949 -10.962 1.00 0.00 WT3 H ATOM 41080 OH2 TIP3 4044 60.253 20.137 37.961 1.00 0.00 WT3 O ATOM 41081 H1 TIP3 4044 60.938 19.473 38.041 1.00 0.00 WT3 H ATOM 41082 H2 TIP3 4044 60.369 20.497 37.082 1.00 0.00 WT3 H ATOM 41083 OH2 TIP3 4045 82.678 49.542 20.349 1.00 0.00 WT3 O ATOM 41084 H1 TIP3 4045 82.371 49.895 21.185 1.00 0.00 WT3 H ATOM 41085 H2 TIP3 4045 81.923 49.617 19.766 1.00 0.00 WT3 H ATOM 41086 OH2 TIP3 4047 42.082 22.414 37.189 1.00 0.00 WT3 O ATOM 41087 H1 TIP3 4047 42.054 22.660 36.264 1.00 0.00 WT3 H ATOM 41088 H2 TIP3 4047 42.684 23.043 37.587 1.00 0.00 WT3 H ATOM 41089 OH2 TIP3 4050 33.482 71.424 20.416 1.00 0.00 WT3 O ATOM 41090 H1 TIP3 4050 32.970 72.115 20.837 1.00 0.00 WT3 H ATOM 41091 H2 TIP3 4050 33.529 70.727 21.071 1.00 0.00 WT3 H ATOM 41092 OH2 TIP3 4052 42.295 72.238 25.197 1.00 0.00 WT3 O ATOM 41093 H1 TIP3 4052 42.844 71.476 25.383 1.00 0.00 WT3 H ATOM 41094 H2 TIP3 4052 42.781 72.729 24.536 1.00 0.00 WT3 H ATOM 41095 OH2 TIP3 4053 33.889 77.826 16.475 1.00 0.00 WT3 O ATOM 41096 H1 TIP3 4053 33.121 77.255 16.475 1.00 0.00 WT3 H ATOM 41097 H2 TIP3 4053 34.505 77.399 15.880 1.00 0.00 WT3 H ATOM 41098 OH2 TIP3 4054 76.695 87.578 24.706 1.00 0.00 WT3 O ATOM 41099 H1 TIP3 4054 75.779 87.591 24.984 1.00 0.00 WT3 H ATOM 41100 H2 TIP3 4054 77.009 86.710 24.959 1.00 0.00 WT3 H ATOM 41101 OH2 TIP3 4055 51.099 90.247 45.207 1.00 0.00 WT3 O ATOM 41102 H1 TIP3 4055 50.347 90.264 45.799 1.00 0.00 WT3 H ATOM 41103 H2 TIP3 4055 50.717 90.124 44.338 1.00 0.00 WT3 H ATOM 41104 OH2 TIP3 4056 87.663 86.450 28.554 1.00 0.00 WT3 O ATOM 41105 H1 TIP3 4056 87.102 86.289 27.796 1.00 0.00 WT3 H ATOM 41106 H2 TIP3 4056 88.090 85.609 28.720 1.00 0.00 WT3 H ATOM 41107 OH2 TIP3 4057 61.104 59.900 66.740 1.00 0.00 WT3 O ATOM 41108 H1 TIP3 4057 61.418 60.564 67.354 1.00 0.00 WT3 H ATOM 41109 H2 TIP3 4057 60.154 59.899 66.851 1.00 0.00 WT3 H ATOM 41110 OH2 TIP3 4059 64.410 84.682 18.621 1.00 0.00 WT3 O ATOM 41111 H1 TIP3 4059 63.721 84.689 17.957 1.00 0.00 WT3 H ATOM 41112 H2 TIP3 4059 64.066 84.124 19.319 1.00 0.00 WT3 H ATOM 41113 OH2 TIP3 4060 58.672 84.531 23.193 1.00 0.00 WT3 O ATOM 41114 H1 TIP3 4060 58.083 84.374 22.455 1.00 0.00 WT3 H ATOM 41115 H2 TIP3 4060 58.272 85.258 23.669 1.00 0.00 WT3 H ATOM 41116 OH2 TIP3 4061 61.183 71.387 36.626 1.00 0.00 WT3 O ATOM 41117 H1 TIP3 4061 60.594 71.844 36.025 1.00 0.00 WT3 H ATOM 41118 H2 TIP3 4061 60.841 70.493 36.664 1.00 0.00 WT3 H ATOM 41119 OH2 TIP3 4063 47.966 17.761 42.676 1.00 0.00 WT3 O ATOM 41120 H1 TIP3 4063 47.701 17.223 43.422 1.00 0.00 WT3 H ATOM 41121 H2 TIP3 4063 47.311 17.578 42.003 1.00 0.00 WT3 H ATOM 41122 OH2 TIP3 4064 67.285 12.568 3.631 1.00 0.00 WT3 O ATOM 41123 H1 TIP3 4064 66.648 11.855 3.592 1.00 0.00 WT3 H ATOM 41124 H2 TIP3 4064 67.911 12.296 4.302 1.00 0.00 WT3 H ATOM 41125 OH2 TIP3 4065 89.393 3.398 47.701 1.00 0.00 WT3 O ATOM 41126 H1 TIP3 4065 89.399 2.445 47.794 1.00 0.00 WT3 H ATOM 41127 H2 TIP3 4065 88.469 3.622 47.592 1.00 0.00 WT3 H ATOM 41128 OH2 TIP3 4066 60.531 86.150 -17.745 1.00 0.00 WT3 O ATOM 41129 H1 TIP3 4066 60.837 85.824 -18.591 1.00 0.00 WT3 H ATOM 41130 H2 TIP3 4066 61.178 86.808 -17.492 1.00 0.00 WT3 H ATOM 41131 OH2 TIP3 4067 78.138 61.339 -19.837 1.00 0.00 WT3 O ATOM 41132 H1 TIP3 4067 79.062 61.368 -19.586 1.00 0.00 WT3 H ATOM 41133 H2 TIP3 4067 77.712 61.968 -19.255 1.00 0.00 WT3 H ATOM 41134 OH2 TIP3 4068 53.987 5.495 -9.840 1.00 0.00 WT3 O ATOM 41135 H1 TIP3 4068 53.906 5.889 -10.708 1.00 0.00 WT3 H ATOM 41136 H2 TIP3 4068 54.237 4.587 -10.011 1.00 0.00 WT3 H ATOM 41137 OH2 TIP3 4069 55.043 67.374 40.707 1.00 0.00 WT3 O ATOM 41138 H1 TIP3 4069 55.213 67.174 39.786 1.00 0.00 WT3 H ATOM 41139 H2 TIP3 4069 55.395 66.623 41.184 1.00 0.00 WT3 H ATOM 41140 OH2 TIP3 4072 77.023 76.926 64.676 1.00 0.00 WT3 O ATOM 41141 H1 TIP3 4072 76.899 77.125 65.604 1.00 0.00 WT3 H ATOM 41142 H2 TIP3 4072 77.309 77.753 64.289 1.00 0.00 WT3 H ATOM 41143 OH2 TIP3 4073 70.583 64.684 10.705 1.00 0.00 WT3 O ATOM 41144 H1 TIP3 4073 70.133 63.863 10.901 1.00 0.00 WT3 H ATOM 41145 H2 TIP3 4073 71.301 64.721 11.338 1.00 0.00 WT3 H ATOM 41146 OH2 TIP3 4074 81.217 89.502 2.448 1.00 0.00 WT3 O ATOM 41147 H1 TIP3 4074 81.262 90.337 1.983 1.00 0.00 WT3 H ATOM 41148 H2 TIP3 4074 81.474 88.849 1.797 1.00 0.00 WT3 H ATOM 41149 OH2 TIP3 4075 39.505 95.442 39.255 1.00 0.00 WT3 O ATOM 41150 H1 TIP3 4075 38.699 95.631 38.775 1.00 0.00 WT3 H ATOM 41151 H2 TIP3 4075 39.787 96.291 39.595 1.00 0.00 WT3 H ATOM 41152 OH2 TIP3 4076 76.850 40.456 -4.693 1.00 0.00 WT3 O ATOM 41153 H1 TIP3 4076 76.527 39.577 -4.891 1.00 0.00 WT3 H ATOM 41154 H2 TIP3 4076 76.193 41.043 -5.066 1.00 0.00 WT3 H ATOM 41155 OH2 TIP3 4077 29.434 68.846 7.412 1.00 0.00 WT3 O ATOM 41156 H1 TIP3 4077 30.044 69.071 8.114 1.00 0.00 WT3 H ATOM 41157 H2 TIP3 4077 28.577 69.115 7.743 1.00 0.00 WT3 H ATOM 41158 OH2 TIP3 4078 50.428 60.498 61.667 1.00 0.00 WT3 O ATOM 41159 H1 TIP3 4078 49.588 60.091 61.880 1.00 0.00 WT3 H ATOM 41160 H2 TIP3 4078 50.336 60.778 60.757 1.00 0.00 WT3 H ATOM 41161 OH2 TIP3 4079 23.321 34.040 46.113 1.00 0.00 WT3 O ATOM 41162 H1 TIP3 4079 23.115 34.960 45.945 1.00 0.00 WT3 H ATOM 41163 H2 TIP3 4079 24.277 34.001 46.092 1.00 0.00 WT3 H ATOM 41164 OH2 TIP3 4080 59.629 18.817 29.903 1.00 0.00 WT3 O ATOM 41165 H1 TIP3 4080 60.455 18.683 30.368 1.00 0.00 WT3 H ATOM 41166 H2 TIP3 4080 59.853 19.405 29.181 1.00 0.00 WT3 H ATOM 41167 OH2 TIP3 4081 85.884 58.447 33.135 1.00 0.00 WT3 O ATOM 41168 H1 TIP3 4081 85.874 57.565 33.507 1.00 0.00 WT3 H ATOM 41169 H2 TIP3 4081 85.120 58.472 32.557 1.00 0.00 WT3 H ATOM 41170 OH2 TIP3 4083 46.735 93.969 65.837 1.00 0.00 WT3 O ATOM 41171 H1 TIP3 4083 47.559 94.123 66.299 1.00 0.00 WT3 H ATOM 41172 H2 TIP3 4083 46.199 94.736 66.038 1.00 0.00 WT3 H ATOM 41173 OH2 TIP3 4085 36.467 63.640 23.645 1.00 0.00 WT3 O ATOM 41174 H1 TIP3 4085 37.032 63.263 22.970 1.00 0.00 WT3 H ATOM 41175 H2 TIP3 4085 36.756 63.226 24.458 1.00 0.00 WT3 H ATOM 41176 OH2 TIP3 4086 33.345 65.665 -3.517 1.00 0.00 WT3 O ATOM 41177 H1 TIP3 4086 33.074 66.573 -3.652 1.00 0.00 WT3 H ATOM 41178 H2 TIP3 4086 33.098 65.473 -2.612 1.00 0.00 WT3 H ATOM 41179 OH2 TIP3 4087 48.272 80.011 33.252 1.00 0.00 WT3 O ATOM 41180 H1 TIP3 4087 48.178 79.230 33.798 1.00 0.00 WT3 H ATOM 41181 H2 TIP3 4087 48.158 79.694 32.356 1.00 0.00 WT3 H ATOM 41182 OH2 TIP3 4089 47.603 4.171 18.230 1.00 0.00 WT3 O ATOM 41183 H1 TIP3 4089 47.409 5.020 17.832 1.00 0.00 WT3 H ATOM 41184 H2 TIP3 4089 47.627 3.561 17.493 1.00 0.00 WT3 H ATOM 41185 OH2 TIP3 4091 89.300 66.558 35.606 1.00 0.00 WT3 O ATOM 41186 H1 TIP3 4091 89.638 66.973 34.812 1.00 0.00 WT3 H ATOM 41187 H2 TIP3 4091 89.260 65.626 35.391 1.00 0.00 WT3 H ATOM 41188 OH2 TIP3 4092 80.764 47.828 36.390 1.00 0.00 WT3 O ATOM 41189 H1 TIP3 4092 80.831 48.769 36.552 1.00 0.00 WT3 H ATOM 41190 H2 TIP3 4092 81.125 47.423 37.178 1.00 0.00 WT3 H ATOM 41191 OH2 TIP3 4093 40.851 89.920 52.527 1.00 0.00 WT3 O ATOM 41192 H1 TIP3 4093 41.290 89.978 51.679 1.00 0.00 WT3 H ATOM 41193 H2 TIP3 4093 39.923 90.042 52.326 1.00 0.00 WT3 H ATOM 41194 OH2 TIP3 4096 45.539 4.038 12.532 1.00 0.00 WT3 O ATOM 41195 H1 TIP3 4096 45.061 4.309 13.315 1.00 0.00 WT3 H ATOM 41196 H2 TIP3 4096 44.904 3.530 12.026 1.00 0.00 WT3 H ATOM 41197 OH2 TIP3 4097 31.507 8.670 -18.505 1.00 0.00 WT3 O ATOM 41198 H1 TIP3 4097 31.077 8.202 -19.220 1.00 0.00 WT3 H ATOM 41199 H2 TIP3 4097 31.218 8.216 -17.713 1.00 0.00 WT3 H ATOM 41200 OH2 TIP3 4098 42.992 72.092 54.178 1.00 0.00 WT3 O ATOM 41201 H1 TIP3 4098 43.015 72.072 53.221 1.00 0.00 WT3 H ATOM 41202 H2 TIP3 4098 43.657 72.736 54.421 1.00 0.00 WT3 H ATOM 41203 OH2 TIP3 4099 51.620 85.535 29.312 1.00 0.00 WT3 O ATOM 41204 H1 TIP3 4099 51.030 85.837 30.002 1.00 0.00 WT3 H ATOM 41205 H2 TIP3 4099 52.414 85.266 29.775 1.00 0.00 WT3 H ATOM 41206 OH2 TIP3 4101 50.860 67.273 59.657 1.00 0.00 WT3 O ATOM 41207 H1 TIP3 4101 50.685 67.865 58.926 1.00 0.00 WT3 H ATOM 41208 H2 TIP3 4101 50.860 66.400 59.264 1.00 0.00 WT3 H ATOM 41209 OH2 TIP3 4102 53.334 15.414 39.823 1.00 0.00 WT3 O ATOM 41210 H1 TIP3 4102 53.985 15.154 40.476 1.00 0.00 WT3 H ATOM 41211 H2 TIP3 4102 53.405 16.368 39.780 1.00 0.00 WT3 H ATOM 41212 OH2 TIP3 4103 24.237 81.437 50.979 1.00 0.00 WT3 O ATOM 41213 H1 TIP3 4103 24.906 81.814 50.407 1.00 0.00 WT3 H ATOM 41214 H2 TIP3 4103 24.404 81.833 51.835 1.00 0.00 WT3 H ATOM 41215 OH2 TIP3 4104 74.562 40.766 27.373 1.00 0.00 WT3 O ATOM 41216 H1 TIP3 4104 73.736 40.426 27.028 1.00 0.00 WT3 H ATOM 41217 H2 TIP3 4104 74.780 41.497 26.795 1.00 0.00 WT3 H ATOM 41218 OH2 TIP3 4105 60.422 93.929 51.638 1.00 0.00 WT3 O ATOM 41219 H1 TIP3 4105 60.295 93.297 50.931 1.00 0.00 WT3 H ATOM 41220 H2 TIP3 4105 60.929 94.637 51.240 1.00 0.00 WT3 H ATOM 41221 OH2 TIP3 4108 26.683 26.244 53.740 1.00 0.00 WT3 O ATOM 41222 H1 TIP3 4108 27.268 25.789 54.346 1.00 0.00 WT3 H ATOM 41223 H2 TIP3 4108 27.199 26.984 53.420 1.00 0.00 WT3 H ATOM 41224 OH2 TIP3 4109 57.835 19.003 -3.278 1.00 0.00 WT3 O ATOM 41225 H1 TIP3 4109 57.331 19.562 -3.869 1.00 0.00 WT3 H ATOM 41226 H2 TIP3 4109 58.733 19.059 -3.602 1.00 0.00 WT3 H ATOM 41227 OH2 TIP3 4110 62.264 14.274 26.520 1.00 0.00 WT3 O ATOM 41228 H1 TIP3 4110 62.684 14.970 27.026 1.00 0.00 WT3 H ATOM 41229 H2 TIP3 4110 62.555 14.423 25.620 1.00 0.00 WT3 H ATOM 41230 OH2 TIP3 4111 69.052 86.197 62.297 1.00 0.00 WT3 O ATOM 41231 H1 TIP3 4111 69.266 86.489 63.182 1.00 0.00 WT3 H ATOM 41232 H2 TIP3 4111 69.045 86.998 61.774 1.00 0.00 WT3 H ATOM 41233 OH2 TIP3 4112 77.612 81.379 54.332 1.00 0.00 WT3 O ATOM 41234 H1 TIP3 4112 78.056 80.835 53.682 1.00 0.00 WT3 H ATOM 41235 H2 TIP3 4112 77.767 80.933 55.165 1.00 0.00 WT3 H ATOM 41236 OH2 TIP3 4113 32.533 77.024 53.397 1.00 0.00 WT3 O ATOM 41237 H1 TIP3 4113 33.286 77.610 53.463 1.00 0.00 WT3 H ATOM 41238 H2 TIP3 4113 32.912 76.165 53.212 1.00 0.00 WT3 H ATOM 41239 OH2 TIP3 4114 56.020 0.807 14.482 1.00 0.00 WT3 O ATOM 41240 H1 TIP3 4114 56.927 1.113 14.476 1.00 0.00 WT3 H ATOM 41241 H2 TIP3 4114 55.700 1.021 15.358 1.00 0.00 WT3 H ATOM 41242 OH2 TIP3 4115 21.492 60.300 35.264 1.00 0.00 WT3 O ATOM 41243 H1 TIP3 4115 20.896 60.991 35.552 1.00 0.00 WT3 H ATOM 41244 H2 TIP3 4115 22.291 60.445 35.772 1.00 0.00 WT3 H ATOM 41245 OH2 TIP3 4116 55.761 27.364 4.393 1.00 0.00 WT3 O ATOM 41246 H1 TIP3 4116 56.467 28.011 4.368 1.00 0.00 WT3 H ATOM 41247 H2 TIP3 4116 55.684 27.057 3.490 1.00 0.00 WT3 H ATOM 41248 OH2 TIP3 4117 88.278 67.769 8.585 1.00 0.00 WT3 O ATOM 41249 H1 TIP3 4117 87.921 67.446 9.413 1.00 0.00 WT3 H ATOM 41250 H2 TIP3 4117 88.788 67.036 8.241 1.00 0.00 WT3 H ATOM 41251 OH2 TIP3 4118 68.929 61.228 25.245 1.00 0.00 WT3 O ATOM 41252 H1 TIP3 4118 69.156 62.061 24.832 1.00 0.00 WT3 H ATOM 41253 H2 TIP3 4118 68.023 61.067 24.979 1.00 0.00 WT3 H ATOM 41254 OH2 TIP3 4120 52.374 69.627 43.541 1.00 0.00 WT3 O ATOM 41255 H1 TIP3 4120 52.668 68.968 42.912 1.00 0.00 WT3 H ATOM 41256 H2 TIP3 4120 51.543 69.944 43.185 1.00 0.00 WT3 H ATOM 41257 OH2 TIP3 4121 55.211 58.340 57.063 1.00 0.00 WT3 O ATOM 41258 H1 TIP3 4121 55.764 58.358 56.282 1.00 0.00 WT3 H ATOM 41259 H2 TIP3 4121 55.828 58.280 57.792 1.00 0.00 WT3 H ATOM 41260 OH2 TIP3 4122 72.544 33.738 -18.397 1.00 0.00 WT3 O ATOM 41261 H1 TIP3 4122 71.827 34.208 -18.823 1.00 0.00 WT3 H ATOM 41262 H2 TIP3 4122 72.119 33.218 -17.715 1.00 0.00 WT3 H ATOM 41263 OH2 TIP3 4123 35.241 30.335 -0.317 1.00 0.00 WT3 O ATOM 41264 H1 TIP3 4123 35.256 31.270 -0.520 1.00 0.00 WT3 H ATOM 41265 H2 TIP3 4123 35.724 30.259 0.506 1.00 0.00 WT3 H ATOM 41266 OH2 TIP3 4124 81.709 73.408 45.982 1.00 0.00 WT3 O ATOM 41267 H1 TIP3 4124 81.961 73.919 46.752 1.00 0.00 WT3 H ATOM 41268 H2 TIP3 4124 81.284 72.629 46.341 1.00 0.00 WT3 H ATOM 41269 OH2 TIP3 4127 44.672 73.750 31.854 1.00 0.00 WT3 O ATOM 41270 H1 TIP3 4127 44.516 73.190 32.615 1.00 0.00 WT3 H ATOM 41271 H2 TIP3 4127 45.511 74.174 32.036 1.00 0.00 WT3 H ATOM 41272 OH2 TIP3 4128 42.940 63.071 53.418 1.00 0.00 WT3 O ATOM 41273 H1 TIP3 4128 43.129 63.115 52.481 1.00 0.00 WT3 H ATOM 41274 H2 TIP3 4128 42.781 62.142 53.587 1.00 0.00 WT3 H ATOM 41275 OH2 TIP3 4129 32.987 95.506 22.556 1.00 0.00 WT3 O ATOM 41276 H1 TIP3 4129 33.022 94.609 22.889 1.00 0.00 WT3 H ATOM 41277 H2 TIP3 4129 32.129 95.830 22.829 1.00 0.00 WT3 H ATOM 41278 OH2 TIP3 4130 54.177 19.471 49.346 1.00 0.00 WT3 O ATOM 41279 H1 TIP3 4130 53.846 19.025 50.126 1.00 0.00 WT3 H ATOM 41280 H2 TIP3 4130 53.731 19.041 48.616 1.00 0.00 WT3 H ATOM 41281 OH2 TIP3 4131 79.718 77.137 4.946 1.00 0.00 WT3 O ATOM 41282 H1 TIP3 4131 80.043 77.283 5.834 1.00 0.00 WT3 H ATOM 41283 H2 TIP3 4131 79.591 76.189 4.889 1.00 0.00 WT3 H ATOM 41284 OH2 TIP3 4132 30.229 51.618 30.444 1.00 0.00 WT3 O ATOM 41285 H1 TIP3 4132 30.046 51.514 29.510 1.00 0.00 WT3 H ATOM 41286 H2 TIP3 4132 31.172 51.781 30.486 1.00 0.00 WT3 H ATOM 41287 OH2 TIP3 4134 64.243 82.060 14.117 1.00 0.00 WT3 O ATOM 41288 H1 TIP3 4134 64.820 81.851 14.851 1.00 0.00 WT3 H ATOM 41289 H2 TIP3 4134 63.386 81.726 14.381 1.00 0.00 WT3 H ATOM 41290 OH2 TIP3 4136 39.039 1.949 -11.455 1.00 0.00 WT3 O ATOM 41291 H1 TIP3 4136 38.819 1.922 -10.524 1.00 0.00 WT3 H ATOM 41292 H2 TIP3 4136 39.502 2.779 -11.569 1.00 0.00 WT3 H ATOM 41293 OH2 TIP3 4137 49.725 70.191 42.449 1.00 0.00 WT3 O ATOM 41294 H1 TIP3 4137 49.348 71.036 42.203 1.00 0.00 WT3 H ATOM 41295 H2 TIP3 4137 49.060 69.549 42.200 1.00 0.00 WT3 H ATOM 41296 OH2 TIP3 4138 26.672 62.376 65.609 1.00 0.00 WT3 O ATOM 41297 H1 TIP3 4138 26.536 61.454 65.394 1.00 0.00 WT3 H ATOM 41298 H2 TIP3 4138 27.224 62.362 66.391 1.00 0.00 WT3 H ATOM 41299 OH2 TIP3 4139 80.687 4.202 4.394 1.00 0.00 WT3 O ATOM 41300 H1 TIP3 4139 81.371 4.699 3.945 1.00 0.00 WT3 H ATOM 41301 H2 TIP3 4139 80.998 4.128 5.297 1.00 0.00 WT3 H ATOM 41302 OH2 TIP3 4141 37.842 53.127 -15.274 1.00 0.00 WT3 O ATOM 41303 H1 TIP3 4141 38.733 52.848 -15.064 1.00 0.00 WT3 H ATOM 41304 H2 TIP3 4141 37.692 52.803 -16.162 1.00 0.00 WT3 H ATOM 41305 OH2 TIP3 4142 45.160 83.488 14.187 1.00 0.00 WT3 O ATOM 41306 H1 TIP3 4142 45.319 84.400 14.429 1.00 0.00 WT3 H ATOM 41307 H2 TIP3 4142 45.899 83.256 13.624 1.00 0.00 WT3 H ATOM 41308 OH2 TIP3 4143 63.296 64.961 -3.332 1.00 0.00 WT3 O ATOM 41309 H1 TIP3 4143 63.126 64.422 -4.105 1.00 0.00 WT3 H ATOM 41310 H2 TIP3 4143 64.097 64.596 -2.957 1.00 0.00 WT3 H ATOM 41311 OH2 TIP3 4144 56.461 60.955 17.781 1.00 0.00 WT3 O ATOM 41312 H1 TIP3 4144 57.284 61.411 17.607 1.00 0.00 WT3 H ATOM 41313 H2 TIP3 4144 55.922 61.600 18.239 1.00 0.00 WT3 H ATOM 41314 OH2 TIP3 4145 31.399 91.751 27.523 1.00 0.00 WT3 O ATOM 41315 H1 TIP3 4145 31.905 91.868 28.327 1.00 0.00 WT3 H ATOM 41316 H2 TIP3 4145 31.869 91.070 27.041 1.00 0.00 WT3 H ATOM 41317 OH2 TIP3 4146 39.211 88.409 16.642 1.00 0.00 WT3 O ATOM 41318 H1 TIP3 4146 38.306 88.249 16.377 1.00 0.00 WT3 H ATOM 41319 H2 TIP3 4146 39.358 87.805 17.371 1.00 0.00 WT3 H ATOM 41320 OH2 TIP3 4151 89.999 82.169 37.656 1.00 0.00 WT3 O ATOM 41321 H1 TIP3 4151 89.794 82.697 38.427 1.00 0.00 WT3 H ATOM 41322 H2 TIP3 4151 89.169 81.754 37.421 1.00 0.00 WT3 H ATOM 41323 OH2 TIP3 4152 75.741 52.696 11.231 1.00 0.00 WT3 O ATOM 41324 H1 TIP3 4152 75.449 53.512 11.638 1.00 0.00 WT3 H ATOM 41325 H2 TIP3 4152 74.944 52.177 11.133 1.00 0.00 WT3 H ATOM 41326 OH2 TIP3 4154 71.407 87.364 25.143 1.00 0.00 WT3 O ATOM 41327 H1 TIP3 4154 71.554 86.451 25.390 1.00 0.00 WT3 H ATOM 41328 H2 TIP3 4154 72.286 87.728 25.034 1.00 0.00 WT3 H ATOM 41329 OH2 TIP3 4155 60.587 63.331 -17.118 1.00 0.00 WT3 O ATOM 41330 H1 TIP3 4155 59.856 63.200 -16.514 1.00 0.00 WT3 H ATOM 41331 H2 TIP3 4155 60.831 64.249 -17.004 1.00 0.00 WT3 H ATOM 41332 OH2 TIP3 4156 33.492 85.719 37.411 1.00 0.00 WT3 O ATOM 41333 H1 TIP3 4156 33.060 84.896 37.640 1.00 0.00 WT3 H ATOM 41334 H2 TIP3 4156 33.600 85.678 36.461 1.00 0.00 WT3 H ATOM 41335 OH2 TIP3 4157 67.249 33.789 -4.781 1.00 0.00 WT3 O ATOM 41336 H1 TIP3 4157 67.383 33.291 -3.975 1.00 0.00 WT3 H ATOM 41337 H2 TIP3 4157 67.075 34.683 -4.485 1.00 0.00 WT3 H ATOM 41338 OH2 TIP3 4160 22.372 9.714 62.955 1.00 0.00 WT3 O ATOM 41339 H1 TIP3 4160 22.213 9.946 62.040 1.00 0.00 WT3 H ATOM 41340 H2 TIP3 4160 23.203 10.138 63.169 1.00 0.00 WT3 H ATOM 41341 OH2 TIP3 4161 87.426 57.582 45.178 1.00 0.00 WT3 O ATOM 41342 H1 TIP3 4161 88.178 57.566 44.586 1.00 0.00 WT3 H ATOM 41343 H2 TIP3 4161 87.800 57.783 46.035 1.00 0.00 WT3 H ATOM 41344 OH2 TIP3 4162 21.397 6.654 5.169 1.00 0.00 WT3 O ATOM 41345 H1 TIP3 4162 21.067 7.172 5.903 1.00 0.00 WT3 H ATOM 41346 H2 TIP3 4162 22.254 7.034 4.973 1.00 0.00 WT3 H ATOM 41347 OH2 TIP3 4163 78.566 0.968 58.534 1.00 0.00 WT3 O ATOM 41348 H1 TIP3 4163 78.773 0.575 59.382 1.00 0.00 WT3 H ATOM 41349 H2 TIP3 4163 79.286 1.577 58.369 1.00 0.00 WT3 H ATOM 41350 OH2 TIP3 4164 85.281 72.775 -2.387 1.00 0.00 WT3 O ATOM 41351 H1 TIP3 4164 85.034 71.855 -2.489 1.00 0.00 WT3 H ATOM 41352 H2 TIP3 4164 85.706 73.003 -3.213 1.00 0.00 WT3 H ATOM 41353 OH2 TIP3 4165 67.797 15.567 60.505 1.00 0.00 WT3 O ATOM 41354 H1 TIP3 4165 67.827 14.633 60.713 1.00 0.00 WT3 H ATOM 41355 H2 TIP3 4165 68.654 15.756 60.124 1.00 0.00 WT3 H ATOM 41356 OH2 TIP3 4166 87.701 20.993 -4.839 1.00 0.00 WT3 O ATOM 41357 H1 TIP3 4166 87.960 20.402 -4.132 1.00 0.00 WT3 H ATOM 41358 H2 TIP3 4166 86.867 21.363 -4.549 1.00 0.00 WT3 H ATOM 41359 OH2 TIP3 4173 88.234 68.422 45.912 1.00 0.00 WT3 O ATOM 41360 H1 TIP3 4173 88.290 68.830 45.048 1.00 0.00 WT3 H ATOM 41361 H2 TIP3 4173 88.847 67.687 45.871 1.00 0.00 WT3 H ATOM 41362 OH2 TIP3 4174 81.962 29.795 5.593 1.00 0.00 WT3 O ATOM 41363 H1 TIP3 4174 81.647 30.360 4.888 1.00 0.00 WT3 H ATOM 41364 H2 TIP3 4174 81.977 30.360 6.365 1.00 0.00 WT3 H ATOM 41365 OH2 TIP3 4175 70.658 56.644 2.939 1.00 0.00 WT3 O ATOM 41366 H1 TIP3 4175 70.680 57.333 3.604 1.00 0.00 WT3 H ATOM 41367 H2 TIP3 4175 70.891 55.846 3.414 1.00 0.00 WT3 H ATOM 41368 OH2 TIP3 4176 52.091 28.149 34.627 1.00 0.00 WT3 O ATOM 41369 H1 TIP3 4176 52.378 28.024 33.722 1.00 0.00 WT3 H ATOM 41370 H2 TIP3 4176 51.259 28.616 34.552 1.00 0.00 WT3 H ATOM 41371 OH2 TIP3 4177 38.941 2.171 0.962 1.00 0.00 WT3 O ATOM 41372 H1 TIP3 4177 38.486 1.978 1.782 1.00 0.00 WT3 H ATOM 41373 H2 TIP3 4177 39.382 1.352 0.735 1.00 0.00 WT3 H ATOM 41374 OH2 TIP3 4179 52.899 18.780 4.588 1.00 0.00 WT3 O ATOM 41375 H1 TIP3 4179 52.757 19.203 5.435 1.00 0.00 WT3 H ATOM 41376 H2 TIP3 4179 52.022 18.698 4.212 1.00 0.00 WT3 H ATOM 41377 OH2 TIP3 4184 48.566 75.247 28.158 1.00 0.00 WT3 O ATOM 41378 H1 TIP3 4184 48.938 75.593 27.347 1.00 0.00 WT3 H ATOM 41379 H2 TIP3 4184 48.850 74.333 28.182 1.00 0.00 WT3 H ATOM 41380 OH2 TIP3 4185 73.740 96.328 29.177 1.00 0.00 WT3 O ATOM 41381 H1 TIP3 4185 73.590 95.768 28.415 1.00 0.00 WT3 H ATOM 41382 H2 TIP3 4185 73.018 96.124 29.771 1.00 0.00 WT3 H ATOM 41383 OH2 TIP3 4186 52.031 70.686 29.224 1.00 0.00 WT3 O ATOM 41384 H1 TIP3 4186 51.429 69.962 29.398 1.00 0.00 WT3 H ATOM 41385 H2 TIP3 4186 52.568 70.381 28.494 1.00 0.00 WT3 H ATOM 41386 OH2 TIP3 4191 66.301 83.717 58.226 1.00 0.00 WT3 O ATOM 41387 H1 TIP3 4191 66.856 83.288 58.877 1.00 0.00 WT3 H ATOM 41388 H2 TIP3 4191 65.450 83.804 58.656 1.00 0.00 WT3 H ATOM 41389 OH2 TIP3 4196 39.799 53.583 29.237 1.00 0.00 WT3 O ATOM 41390 H1 TIP3 4196 40.667 53.211 29.080 1.00 0.00 WT3 H ATOM 41391 H2 TIP3 4196 39.904 54.519 29.062 1.00 0.00 WT3 H ATOM 41392 OH2 TIP3 4197 49.790 16.126 45.496 1.00 0.00 WT3 O ATOM 41393 H1 TIP3 4197 50.732 16.220 45.638 1.00 0.00 WT3 H ATOM 41394 H2 TIP3 4197 49.716 15.477 44.796 1.00 0.00 WT3 H ATOM 41395 OH2 TIP3 4201 58.119 13.578 32.962 1.00 0.00 WT3 O ATOM 41396 H1 TIP3 4201 57.835 12.707 33.237 1.00 0.00 WT3 H ATOM 41397 H2 TIP3 4201 58.056 13.561 32.007 1.00 0.00 WT3 H ATOM 41398 OH2 TIP3 4202 54.853 51.066 51.865 1.00 0.00 WT3 O ATOM 41399 H1 TIP3 4202 55.412 51.721 52.281 1.00 0.00 WT3 H ATOM 41400 H2 TIP3 4202 54.721 51.393 50.975 1.00 0.00 WT3 H ATOM 41401 OH2 TIP3 4203 49.798 83.307 -6.148 1.00 0.00 WT3 O ATOM 41402 H1 TIP3 4203 49.248 83.108 -5.390 1.00 0.00 WT3 H ATOM 41403 H2 TIP3 4203 50.125 82.455 -6.437 1.00 0.00 WT3 H ATOM 41404 OH2 TIP3 4204 59.885 5.621 36.454 1.00 0.00 WT3 O ATOM 41405 H1 TIP3 4204 59.852 4.871 35.860 1.00 0.00 WT3 H ATOM 41406 H2 TIP3 4204 60.797 5.661 36.741 1.00 0.00 WT3 H ATOM 41407 OH2 TIP3 4216 71.568 54.244 65.466 1.00 0.00 WT3 O ATOM 41408 H1 TIP3 4216 70.770 54.283 65.993 1.00 0.00 WT3 H ATOM 41409 H2 TIP3 4216 72.241 53.936 66.073 1.00 0.00 WT3 H ATOM 41410 OH2 TIP3 4221 80.640 57.821 3.006 1.00 0.00 WT3 O ATOM 41411 H1 TIP3 4221 79.822 57.689 3.486 1.00 0.00 WT3 H ATOM 41412 H2 TIP3 4221 81.229 57.148 3.346 1.00 0.00 WT3 H ATOM 41413 OH2 TIP3 4223 64.930 1.210 24.987 1.00 0.00 WT3 O ATOM 41414 H1 TIP3 4223 65.578 1.815 24.627 1.00 0.00 WT3 H ATOM 41415 H2 TIP3 4223 64.737 0.609 24.267 1.00 0.00 WT3 H ATOM 41416 OH2 TIP3 4230 86.245 81.372 20.643 1.00 0.00 WT3 O ATOM 41417 H1 TIP3 4230 87.026 81.013 21.065 1.00 0.00 WT3 H ATOM 41418 H2 TIP3 4230 85.971 82.089 21.214 1.00 0.00 WT3 H ATOM 41419 OH2 TIP3 4237 67.554 47.227 66.627 1.00 0.00 WT3 O ATOM 41420 H1 TIP3 4237 68.318 47.789 66.754 1.00 0.00 WT3 H ATOM 41421 H2 TIP3 4237 67.089 47.260 67.463 1.00 0.00 WT3 H ATOM 41422 OH2 TIP3 4239 34.054 75.087 11.915 1.00 0.00 WT3 O ATOM 41423 H1 TIP3 4239 33.263 75.546 12.200 1.00 0.00 WT3 H ATOM 41424 H2 TIP3 4239 33.851 74.160 12.039 1.00 0.00 WT3 H ATOM 41425 OH2 TIP3 4240 54.735 10.543 39.707 1.00 0.00 WT3 O ATOM 41426 H1 TIP3 4240 55.568 10.298 39.305 1.00 0.00 WT3 H ATOM 41427 H2 TIP3 4240 54.961 10.775 40.607 1.00 0.00 WT3 H ATOM 41428 OH2 TIP3 4243 21.146 12.023 3.581 1.00 0.00 WT3 O ATOM 41429 H1 TIP3 4243 21.918 12.500 3.278 1.00 0.00 WT3 H ATOM 41430 H2 TIP3 4243 20.582 12.697 3.962 1.00 0.00 WT3 H ATOM 41431 OH2 TIP3 4278 47.610 23.000 -14.165 1.00 0.00 WT3 O ATOM 41432 H1 TIP3 4278 46.923 23.189 -13.527 1.00 0.00 WT3 H ATOM 41433 H2 TIP3 4278 48.206 23.746 -14.105 1.00 0.00 WT3 H ATOM 41434 OH2 TIP3 4319 65.042 93.014 37.141 1.00 0.00 WT3 O ATOM 41435 H1 TIP3 4319 65.640 93.687 36.815 1.00 0.00 WT3 H ATOM 41436 H2 TIP3 4319 64.185 93.270 36.802 1.00 0.00 WT3 H ATOM 41437 OH2 TIP3 4323 83.915 34.182 -12.049 1.00 0.00 WT3 O ATOM 41438 H1 TIP3 4323 83.432 34.365 -12.856 1.00 0.00 WT3 H ATOM 41439 H2 TIP3 4323 83.271 33.771 -11.473 1.00 0.00 WT3 H ATOM 41440 OH2 TIP3 4356 80.066 40.358 1.734 1.00 0.00 WT3 O ATOM 41441 H1 TIP3 4356 80.994 40.276 1.512 1.00 0.00 WT3 H ATOM 41442 H2 TIP3 4356 79.919 41.301 1.807 1.00 0.00 WT3 H ATOM 41443 OH2 TIP3 4374 82.877 1.010 7.647 1.00 0.00 WT3 O ATOM 41444 H1 TIP3 4374 83.230 0.186 7.982 1.00 0.00 WT3 H ATOM 41445 H2 TIP3 4374 82.041 0.769 7.248 1.00 0.00 WT3 H ATOM 41446 OH2 TIP3 4382 85.752 93.418 32.036 1.00 0.00 WT3 O ATOM 41447 H1 TIP3 4382 86.153 93.221 31.189 1.00 0.00 WT3 H ATOM 41448 H2 TIP3 4382 86.194 92.834 32.652 1.00 0.00 WT3 H ATOM 41449 OH2 TIP3 4394 56.404 96.511 8.245 1.00 0.00 WT3 O ATOM 41450 H1 TIP3 4394 56.490 96.977 9.077 1.00 0.00 WT3 H ATOM 41451 H2 TIP3 4394 57.105 95.859 8.261 1.00 0.00 WT3 H ATOM 41452 OH2 TIP3 4401 89.683 86.243 64.288 1.00 0.00 WT3 O ATOM 41453 H1 TIP3 4401 89.765 85.880 65.170 1.00 0.00 WT3 H ATOM 41454 H2 TIP3 4401 88.792 86.021 64.019 1.00 0.00 WT3 H ATOM 41455 OH2 TIP3 4404 26.035 56.276 -17.179 1.00 0.00 WT3 O ATOM 41456 H1 TIP3 4404 26.074 57.186 -17.473 1.00 0.00 WT3 H ATOM 41457 H2 TIP3 4404 25.189 55.958 -17.492 1.00 0.00 WT3 H ATOM 41458 OH2 TIP3 4407 28.794 13.318 31.841 1.00 0.00 WT3 O ATOM 41459 H1 TIP3 4407 28.549 13.624 32.715 1.00 0.00 WT3 H ATOM 41460 H2 TIP3 4407 28.324 12.491 31.735 1.00 0.00 WT3 H ATOM 41461 OH2 TIP3 4409 78.611 33.128 55.186 1.00 0.00 WT3 O ATOM 41462 H1 TIP3 4409 77.675 32.999 55.030 1.00 0.00 WT3 H ATOM 41463 H2 TIP3 4409 79.025 32.920 54.349 1.00 0.00 WT3 H ATOM 41464 OH2 TIP3 4412 26.655 84.445 32.681 1.00 0.00 WT3 O ATOM 41465 H1 TIP3 4412 26.504 83.532 32.924 1.00 0.00 WT3 H ATOM 41466 H2 TIP3 4412 27.446 84.694 33.159 1.00 0.00 WT3 H ATOM 41467 OH2 TIP3 4414 51.139 68.846 4.582 1.00 0.00 WT3 O ATOM 41468 H1 TIP3 4414 51.213 68.762 5.533 1.00 0.00 WT3 H ATOM 41469 H2 TIP3 4414 50.902 67.969 4.281 1.00 0.00 WT3 H ATOM 41470 OH2 TIP3 4415 64.841 23.987 3.589 1.00 0.00 WT3 O ATOM 41471 H1 TIP3 4415 65.584 24.514 3.882 1.00 0.00 WT3 H ATOM 41472 H2 TIP3 4415 64.817 24.114 2.640 1.00 0.00 WT3 H ATOM 41473 OH2 TIP3 4417 52.931 44.330 33.215 1.00 0.00 WT3 O ATOM 41474 H1 TIP3 4417 52.396 43.536 33.192 1.00 0.00 WT3 H ATOM 41475 H2 TIP3 4417 53.483 44.269 32.435 1.00 0.00 WT3 H ATOM 41476 OH2 TIP3 4419 45.167 3.255 41.241 1.00 0.00 WT3 O ATOM 41477 H1 TIP3 4419 45.131 4.019 41.816 1.00 0.00 WT3 H ATOM 41478 H2 TIP3 4419 44.532 2.643 41.613 1.00 0.00 WT3 H ATOM 41479 OH2 TIP3 4427 38.621 74.481 6.088 1.00 0.00 WT3 O ATOM 41480 H1 TIP3 4427 39.227 74.120 6.734 1.00 0.00 WT3 H ATOM 41481 H2 TIP3 4427 38.557 75.410 6.312 1.00 0.00 WT3 H ATOM 41482 OH2 TIP3 4432 86.804 65.276 32.039 1.00 0.00 WT3 O ATOM 41483 H1 TIP3 4432 86.391 66.136 31.969 1.00 0.00 WT3 H ATOM 41484 H2 TIP3 4432 86.557 64.824 31.232 1.00 0.00 WT3 H ATOM 41485 OH2 TIP3 4433 42.420 85.748 60.121 1.00 0.00 WT3 O ATOM 41486 H1 TIP3 4433 43.249 86.160 60.367 1.00 0.00 WT3 H ATOM 41487 H2 TIP3 4433 42.554 84.817 60.296 1.00 0.00 WT3 H ATOM 41488 OH2 TIP3 4434 33.116 40.687 9.488 1.00 0.00 WT3 O ATOM 41489 H1 TIP3 4434 32.282 40.695 9.957 1.00 0.00 WT3 H ATOM 41490 H2 TIP3 4434 33.472 41.566 9.616 1.00 0.00 WT3 H ATOM 41491 OH2 TIP3 4436 82.555 17.024 45.234 1.00 0.00 WT3 O ATOM 41492 H1 TIP3 4436 82.236 17.426 46.041 1.00 0.00 WT3 H ATOM 41493 H2 TIP3 4436 82.499 17.720 44.580 1.00 0.00 WT3 H ATOM 41494 OH2 TIP3 4437 74.497 75.977 53.399 1.00 0.00 WT3 O ATOM 41495 H1 TIP3 4437 74.513 76.117 52.452 1.00 0.00 WT3 H ATOM 41496 H2 TIP3 4437 73.579 76.098 53.644 1.00 0.00 WT3 H ATOM 41497 OH2 TIP3 4438 54.997 47.515 -10.730 1.00 0.00 WT3 O ATOM 41498 H1 TIP3 4438 55.101 46.563 -10.719 1.00 0.00 WT3 H ATOM 41499 H2 TIP3 4438 54.260 47.683 -10.142 1.00 0.00 WT3 H ATOM 41500 OH2 TIP3 4446 29.013 71.159 38.925 1.00 0.00 WT3 O ATOM 41501 H1 TIP3 4446 28.468 71.022 38.150 1.00 0.00 WT3 H ATOM 41502 H2 TIP3 4446 28.665 70.549 39.575 1.00 0.00 WT3 H ATOM 41503 OH2 TIP3 4449 53.088 93.022 20.878 1.00 0.00 WT3 O ATOM 41504 H1 TIP3 4449 52.807 93.493 21.662 1.00 0.00 WT3 H ATOM 41505 H2 TIP3 4449 52.277 92.685 20.497 1.00 0.00 WT3 H ATOM 41506 OH2 TIP3 4451 32.682 70.486 64.640 1.00 0.00 WT3 O ATOM 41507 H1 TIP3 4451 33.317 70.070 65.223 1.00 0.00 WT3 H ATOM 41508 H2 TIP3 4451 31.986 70.791 65.221 1.00 0.00 WT3 H ATOM 41509 OH2 TIP3 4453 55.191 80.343 40.968 1.00 0.00 WT3 O ATOM 41510 H1 TIP3 4453 54.652 80.967 40.482 1.00 0.00 WT3 H ATOM 41511 H2 TIP3 4453 56.022 80.323 40.495 1.00 0.00 WT3 H ATOM 41512 OH2 TIP3 4455 66.680 49.192 -1.638 1.00 0.00 WT3 O ATOM 41513 H1 TIP3 4455 66.048 48.789 -1.043 1.00 0.00 WT3 H ATOM 41514 H2 TIP3 4455 66.166 49.821 -2.144 1.00 0.00 WT3 H ATOM 41515 OH2 TIP3 4457 27.513 53.308 56.440 1.00 0.00 WT3 O ATOM 41516 H1 TIP3 4457 27.919 52.864 57.185 1.00 0.00 WT3 H ATOM 41517 H2 TIP3 4457 26.668 53.610 56.771 1.00 0.00 WT3 H ATOM 41518 OH2 TIP3 4460 89.383 0.476 2.436 1.00 0.00 WT3 O ATOM 41519 H1 TIP3 4460 88.814 -0.155 1.995 1.00 0.00 WT3 H ATOM 41520 H2 TIP3 4460 89.046 0.519 3.331 1.00 0.00 WT3 H ATOM 41521 OH2 TIP3 4464 82.743 74.137 18.315 1.00 0.00 WT3 O ATOM 41522 H1 TIP3 4464 82.796 74.253 19.263 1.00 0.00 WT3 H ATOM 41523 H2 TIP3 4464 83.050 73.243 18.165 1.00 0.00 WT3 H ATOM 41524 OH2 TIP3 4467 27.291 85.122 26.496 1.00 0.00 WT3 O ATOM 41525 H1 TIP3 4467 27.770 84.517 25.929 1.00 0.00 WT3 H ATOM 41526 H2 TIP3 4467 27.763 85.095 27.329 1.00 0.00 WT3 H ATOM 41527 OH2 TIP3 4468 36.924 71.923 2.385 1.00 0.00 WT3 O ATOM 41528 H1 TIP3 4468 36.547 71.272 2.976 1.00 0.00 WT3 H ATOM 41529 H2 TIP3 4468 37.249 72.614 2.963 1.00 0.00 WT3 H ATOM 41530 OH2 TIP3 4470 30.320 84.159 36.342 1.00 0.00 WT3 O ATOM 41531 H1 TIP3 4470 30.206 84.865 36.978 1.00 0.00 WT3 H ATOM 41532 H2 TIP3 4470 30.618 83.413 36.862 1.00 0.00 WT3 H ATOM 41533 OH2 TIP3 4472 83.799 36.528 40.471 1.00 0.00 WT3 O ATOM 41534 H1 TIP3 4472 83.708 36.876 39.584 1.00 0.00 WT3 H ATOM 41535 H2 TIP3 4472 84.743 36.509 40.625 1.00 0.00 WT3 H ATOM 41536 OH2 TIP3 4473 59.323 45.774 -1.294 1.00 0.00 WT3 O ATOM 41537 H1 TIP3 4473 59.413 46.179 -0.432 1.00 0.00 WT3 H ATOM 41538 H2 TIP3 4473 58.627 46.272 -1.723 1.00 0.00 WT3 H ATOM 41539 OH2 TIP3 4475 48.484 52.703 53.336 1.00 0.00 WT3 O ATOM 41540 H1 TIP3 4475 48.916 53.557 53.361 1.00 0.00 WT3 H ATOM 41541 H2 TIP3 4475 48.806 52.294 52.534 1.00 0.00 WT3 H ATOM 41542 OH2 TIP3 4476 20.959 51.723 -8.107 1.00 0.00 WT3 O ATOM 41543 H1 TIP3 4476 20.584 51.645 -8.984 1.00 0.00 WT3 H ATOM 41544 H2 TIP3 4476 21.152 50.823 -7.847 1.00 0.00 WT3 H ATOM 41545 OH2 TIP3 4477 46.067 28.847 55.192 1.00 0.00 WT3 O ATOM 41546 H1 TIP3 4477 46.395 29.483 54.556 1.00 0.00 WT3 H ATOM 41547 H2 TIP3 4477 46.313 29.210 56.043 1.00 0.00 WT3 H ATOM 41548 OH2 TIP3 4478 67.849 33.396 2.560 1.00 0.00 WT3 O ATOM 41549 H1 TIP3 4478 68.270 34.194 2.881 1.00 0.00 WT3 H ATOM 41550 H2 TIP3 4478 67.299 33.690 1.834 1.00 0.00 WT3 H ATOM 41551 OH2 TIP3 4479 75.139 19.050 46.728 1.00 0.00 WT3 O ATOM 41552 H1 TIP3 4479 74.666 19.809 46.384 1.00 0.00 WT3 H ATOM 41553 H2 TIP3 4479 75.831 18.888 46.088 1.00 0.00 WT3 H ATOM 41554 OH2 TIP3 4480 28.581 33.649 -0.441 1.00 0.00 WT3 O ATOM 41555 H1 TIP3 4480 29.227 33.491 -1.129 1.00 0.00 WT3 H ATOM 41556 H2 TIP3 4480 28.062 34.385 -0.764 1.00 0.00 WT3 H ATOM 41557 OH2 TIP3 4483 88.320 30.384 -11.510 1.00 0.00 WT3 O ATOM 41558 H1 TIP3 4483 87.516 29.975 -11.191 1.00 0.00 WT3 H ATOM 41559 H2 TIP3 4483 88.181 30.486 -12.451 1.00 0.00 WT3 H ATOM 41560 OH2 TIP3 4484 39.846 12.398 8.375 1.00 0.00 WT3 O ATOM 41561 H1 TIP3 4484 38.973 12.746 8.193 1.00 0.00 WT3 H ATOM 41562 H2 TIP3 4484 39.718 11.452 8.440 1.00 0.00 WT3 H ATOM 41563 OH2 TIP3 4485 42.406 30.297 9.155 1.00 0.00 WT3 O ATOM 41564 H1 TIP3 4485 41.842 31.038 8.934 1.00 0.00 WT3 H ATOM 41565 H2 TIP3 4485 42.725 30.493 10.036 1.00 0.00 WT3 H ATOM 41566 OH2 TIP3 4489 63.359 62.839 63.709 1.00 0.00 WT3 O ATOM 41567 H1 TIP3 4489 62.580 62.364 63.419 1.00 0.00 WT3 H ATOM 41568 H2 TIP3 4489 63.111 63.762 63.657 1.00 0.00 WT3 H ATOM 41569 OH2 TIP3 4493 74.621 74.564 66.154 1.00 0.00 WT3 O ATOM 41570 H1 TIP3 4493 75.170 74.259 65.431 1.00 0.00 WT3 H ATOM 41571 H2 TIP3 4493 73.797 74.818 65.738 1.00 0.00 WT3 H ATOM 41572 OH2 TIP3 4494 70.404 1.870 28.904 1.00 0.00 WT3 O ATOM 41573 H1 TIP3 4494 70.703 1.873 27.995 1.00 0.00 WT3 H ATOM 41574 H2 TIP3 4494 70.528 0.966 29.194 1.00 0.00 WT3 H ATOM 41575 OH2 TIP3 4495 40.160 11.575 31.042 1.00 0.00 WT3 O ATOM 41576 H1 TIP3 4495 39.230 11.478 31.245 1.00 0.00 WT3 H ATOM 41577 H2 TIP3 4495 40.181 11.783 30.108 1.00 0.00 WT3 H ATOM 41578 OH2 TIP3 4496 26.454 37.547 53.529 1.00 0.00 WT3 O ATOM 41579 H1 TIP3 4496 26.574 37.510 52.580 1.00 0.00 WT3 H ATOM 41580 H2 TIP3 4496 26.835 38.386 53.787 1.00 0.00 WT3 H ATOM 41581 OH2 TIP3 4498 70.717 81.383 40.335 1.00 0.00 WT3 O ATOM 41582 H1 TIP3 4498 70.296 82.214 40.118 1.00 0.00 WT3 H ATOM 41583 H2 TIP3 4498 70.636 81.315 41.287 1.00 0.00 WT3 H ATOM 41584 OH2 TIP3 4499 23.742 86.596 44.559 1.00 0.00 WT3 O ATOM 41585 H1 TIP3 4499 23.597 86.263 43.673 1.00 0.00 WT3 H ATOM 41586 H2 TIP3 4499 24.654 86.887 44.559 1.00 0.00 WT3 H ATOM 41587 OH2 TIP3 4500 29.408 85.149 13.488 1.00 0.00 WT3 O ATOM 41588 H1 TIP3 4500 29.773 85.482 14.308 1.00 0.00 WT3 H ATOM 41589 H2 TIP3 4500 30.025 84.471 13.209 1.00 0.00 WT3 H ATOM 41590 OH2 TIP3 4501 77.336 24.038 6.470 1.00 0.00 WT3 O ATOM 41591 H1 TIP3 4501 77.148 24.343 7.358 1.00 0.00 WT3 H ATOM 41592 H2 TIP3 4501 76.560 23.535 6.221 1.00 0.00 WT3 H ATOM 41593 OH2 TIP3 4503 34.573 71.762 -5.307 1.00 0.00 WT3 O ATOM 41594 H1 TIP3 4503 34.748 71.920 -6.235 1.00 0.00 WT3 H ATOM 41595 H2 TIP3 4503 35.380 72.022 -4.863 1.00 0.00 WT3 H ATOM 41596 OH2 TIP3 4506 64.393 30.956 15.589 1.00 0.00 WT3 O ATOM 41597 H1 TIP3 4506 64.327 30.889 14.636 1.00 0.00 WT3 H ATOM 41598 H2 TIP3 4506 63.829 31.694 15.818 1.00 0.00 WT3 H ATOM 41599 OH2 TIP3 4508 48.170 77.646 49.083 1.00 0.00 WT3 O ATOM 41600 H1 TIP3 4508 48.772 77.369 48.393 1.00 0.00 WT3 H ATOM 41601 H2 TIP3 4508 47.376 77.910 48.618 1.00 0.00 WT3 H ATOM 41602 OH2 TIP3 4510 23.877 69.304 26.520 1.00 0.00 WT3 O ATOM 41603 H1 TIP3 4510 24.371 69.841 25.900 1.00 0.00 WT3 H ATOM 41604 H2 TIP3 4510 24.394 68.503 26.609 1.00 0.00 WT3 H ATOM 41605 OH2 TIP3 4511 35.612 1.310 13.948 1.00 0.00 WT3 O ATOM 41606 H1 TIP3 4511 36.178 2.082 13.956 1.00 0.00 WT3 H ATOM 41607 H2 TIP3 4511 36.191 0.585 14.181 1.00 0.00 WT3 H ATOM 41608 OH2 TIP3 4513 68.177 61.461 57.625 1.00 0.00 WT3 O ATOM 41609 H1 TIP3 4513 68.302 60.777 56.967 1.00 0.00 WT3 H ATOM 41610 H2 TIP3 4513 68.964 62.002 57.562 1.00 0.00 WT3 H ATOM 41611 OH2 TIP3 4515 85.417 76.507 60.749 1.00 0.00 WT3 O ATOM 41612 H1 TIP3 4515 85.463 77.224 61.382 1.00 0.00 WT3 H ATOM 41613 H2 TIP3 4515 84.850 75.857 61.162 1.00 0.00 WT3 H ATOM 41614 OH2 TIP3 4516 48.814 83.565 65.134 1.00 0.00 WT3 O ATOM 41615 H1 TIP3 4516 48.455 83.732 66.006 1.00 0.00 WT3 H ATOM 41616 H2 TIP3 4516 48.816 82.611 65.055 1.00 0.00 WT3 H ATOM 41617 OH2 TIP3 4517 74.559 77.703 16.696 1.00 0.00 WT3 O ATOM 41618 H1 TIP3 4517 75.030 77.542 15.879 1.00 0.00 WT3 H ATOM 41619 H2 TIP3 4517 74.030 76.917 16.828 1.00 0.00 WT3 H ATOM 41620 OH2 TIP3 4518 52.646 17.888 -11.523 1.00 0.00 WT3 O ATOM 41621 H1 TIP3 4518 52.936 18.566 -10.914 1.00 0.00 WT3 H ATOM 41622 H2 TIP3 4518 52.966 18.178 -12.377 1.00 0.00 WT3 H ATOM 41623 OH2 TIP3 4519 81.113 27.354 45.092 1.00 0.00 WT3 O ATOM 41624 H1 TIP3 4519 81.788 27.020 44.502 1.00 0.00 WT3 H ATOM 41625 H2 TIP3 4519 80.753 28.116 44.637 1.00 0.00 WT3 H ATOM 41626 OH2 TIP3 4520 62.458 85.773 5.683 1.00 0.00 WT3 O ATOM 41627 H1 TIP3 4520 62.036 84.918 5.596 1.00 0.00 WT3 H ATOM 41628 H2 TIP3 4520 62.785 85.969 4.805 1.00 0.00 WT3 H ATOM 41629 OH2 TIP3 4523 78.458 49.939 14.797 1.00 0.00 WT3 O ATOM 41630 H1 TIP3 4523 78.796 50.262 15.632 1.00 0.00 WT3 H ATOM 41631 H2 TIP3 4523 78.205 50.728 14.318 1.00 0.00 WT3 H ATOM 41632 OH2 TIP3 4524 63.235 46.255 50.507 1.00 0.00 WT3 O ATOM 41633 H1 TIP3 4524 63.380 46.342 49.565 1.00 0.00 WT3 H ATOM 41634 H2 TIP3 4524 62.652 46.981 50.728 1.00 0.00 WT3 H ATOM 41635 OH2 TIP3 4526 76.885 72.138 45.638 1.00 0.00 WT3 O ATOM 41636 H1 TIP3 4526 77.205 72.552 44.836 1.00 0.00 WT3 H ATOM 41637 H2 TIP3 4526 75.933 72.222 45.588 1.00 0.00 WT3 H ATOM 41638 OH2 TIP3 4528 61.830 60.862 -6.409 1.00 0.00 WT3 O ATOM 41639 H1 TIP3 4528 61.215 60.402 -5.839 1.00 0.00 WT3 H ATOM 41640 H2 TIP3 4528 61.484 60.731 -7.292 1.00 0.00 WT3 H ATOM 41641 OH2 TIP3 4530 70.477 62.454 13.265 1.00 0.00 WT3 O ATOM 41642 H1 TIP3 4530 70.467 61.497 13.236 1.00 0.00 WT3 H ATOM 41643 H2 TIP3 4530 69.610 62.713 12.953 1.00 0.00 WT3 H ATOM 41644 OH2 TIP3 4532 75.106 66.781 10.089 1.00 0.00 WT3 O ATOM 41645 H1 TIP3 4532 75.353 67.218 9.274 1.00 0.00 WT3 H ATOM 41646 H2 TIP3 4532 74.225 67.104 10.278 1.00 0.00 WT3 H ATOM 41647 OH2 TIP3 4533 50.766 69.534 25.173 1.00 0.00 WT3 O ATOM 41648 H1 TIP3 4533 50.342 69.144 24.409 1.00 0.00 WT3 H ATOM 41649 H2 TIP3 4533 51.700 69.515 24.965 1.00 0.00 WT3 H ATOM 41650 OH2 TIP3 4534 89.796 67.412 56.856 1.00 0.00 WT3 O ATOM 41651 H1 TIP3 4534 89.266 67.267 56.072 1.00 0.00 WT3 H ATOM 41652 H2 TIP3 4534 90.218 66.569 57.020 1.00 0.00 WT3 H ATOM 41653 OH2 TIP3 4535 64.770 19.233 -7.681 1.00 0.00 WT3 O ATOM 41654 H1 TIP3 4535 64.916 19.643 -6.828 1.00 0.00 WT3 H ATOM 41655 H2 TIP3 4535 65.602 18.808 -7.888 1.00 0.00 WT3 H ATOM 41656 OH2 TIP3 4536 51.102 69.515 0.363 1.00 0.00 WT3 O ATOM 41657 H1 TIP3 4536 50.301 69.597 0.881 1.00 0.00 WT3 H ATOM 41658 H2 TIP3 4536 51.756 69.189 0.982 1.00 0.00 WT3 H ATOM 41659 OH2 TIP3 4537 70.660 71.306 9.398 1.00 0.00 WT3 O ATOM 41660 H1 TIP3 4537 70.020 71.698 9.992 1.00 0.00 WT3 H ATOM 41661 H2 TIP3 4537 70.163 71.115 8.602 1.00 0.00 WT3 H ATOM 41662 OH2 TIP3 4538 28.806 15.742 -13.959 1.00 0.00 WT3 O ATOM 41663 H1 TIP3 4538 29.674 15.460 -13.670 1.00 0.00 WT3 H ATOM 41664 H2 TIP3 4538 28.637 15.226 -14.748 1.00 0.00 WT3 H ATOM 41665 OH2 TIP3 4539 63.092 1.964 40.241 1.00 0.00 WT3 O ATOM 41666 H1 TIP3 4539 62.357 2.540 40.032 1.00 0.00 WT3 H ATOM 41667 H2 TIP3 4539 63.776 2.213 39.620 1.00 0.00 WT3 H ATOM 41668 OH2 TIP3 4541 51.429 93.770 44.530 1.00 0.00 WT3 O ATOM 41669 H1 TIP3 4541 52.081 94.385 44.866 1.00 0.00 WT3 H ATOM 41670 H2 TIP3 4541 51.595 93.733 43.589 1.00 0.00 WT3 H ATOM 41671 OH2 TIP3 4542 57.017 51.940 -6.192 1.00 0.00 WT3 O ATOM 41672 H1 TIP3 4542 56.954 52.419 -5.366 1.00 0.00 WT3 H ATOM 41673 H2 TIP3 4542 57.112 51.024 -5.931 1.00 0.00 WT3 H ATOM 41674 OH2 TIP3 4543 40.201 0.447 18.579 1.00 0.00 WT3 O ATOM 41675 H1 TIP3 4543 40.667 0.083 19.333 1.00 0.00 WT3 H ATOM 41676 H2 TIP3 4543 40.816 0.355 17.851 1.00 0.00 WT3 H ATOM 41677 OH2 TIP3 4544 33.337 55.753 -11.389 1.00 0.00 WT3 O ATOM 41678 H1 TIP3 4544 34.020 55.180 -11.737 1.00 0.00 WT3 H ATOM 41679 H2 TIP3 4544 33.412 55.667 -10.439 1.00 0.00 WT3 H ATOM 41680 OH2 TIP3 4546 79.048 87.678 54.632 1.00 0.00 WT3 O ATOM 41681 H1 TIP3 4546 78.163 87.331 54.744 1.00 0.00 WT3 H ATOM 41682 H2 TIP3 4546 79.084 87.954 53.716 1.00 0.00 WT3 H ATOM 41683 OH2 TIP3 4547 42.906 68.312 -0.254 1.00 0.00 WT3 O ATOM 41684 H1 TIP3 4547 43.172 67.638 0.371 1.00 0.00 WT3 H ATOM 41685 H2 TIP3 4547 43.729 68.644 -0.614 1.00 0.00 WT3 H ATOM 41686 OH2 TIP3 4548 69.164 9.354 3.524 1.00 0.00 WT3 O ATOM 41687 H1 TIP3 4548 68.801 10.076 4.036 1.00 0.00 WT3 H ATOM 41688 H2 TIP3 4548 69.914 9.050 4.036 1.00 0.00 WT3 H ATOM 41689 OH2 TIP3 4549 80.297 52.387 33.265 1.00 0.00 WT3 O ATOM 41690 H1 TIP3 4549 80.597 53.121 32.728 1.00 0.00 WT3 H ATOM 41691 H2 TIP3 4549 79.613 52.761 33.821 1.00 0.00 WT3 H ATOM 41692 OH2 TIP3 4552 83.482 94.463 31.296 1.00 0.00 WT3 O ATOM 41693 H1 TIP3 4552 84.326 94.100 31.565 1.00 0.00 WT3 H ATOM 41694 H2 TIP3 4552 83.197 93.899 30.577 1.00 0.00 WT3 H ATOM 41695 OH2 TIP3 4553 36.179 67.088 34.247 1.00 0.00 WT3 O ATOM 41696 H1 TIP3 4553 36.923 67.498 34.687 1.00 0.00 WT3 H ATOM 41697 H2 TIP3 4553 36.356 67.207 33.314 1.00 0.00 WT3 H ATOM 41698 OH2 TIP3 4554 81.696 75.851 50.465 1.00 0.00 WT3 O ATOM 41699 H1 TIP3 4554 81.305 76.291 49.710 1.00 0.00 WT3 H ATOM 41700 H2 TIP3 4554 82.169 76.543 50.927 1.00 0.00 WT3 H ATOM 41701 OH2 TIP3 4555 36.530 74.728 53.199 1.00 0.00 WT3 O ATOM 41702 H1 TIP3 4555 36.208 75.578 53.497 1.00 0.00 WT3 H ATOM 41703 H2 TIP3 4555 37.483 74.794 53.267 1.00 0.00 WT3 H ATOM 41704 OH2 TIP3 4556 44.750 13.089 37.356 1.00 0.00 WT3 O ATOM 41705 H1 TIP3 4556 44.581 13.794 36.731 1.00 0.00 WT3 H ATOM 41706 H2 TIP3 4556 45.584 12.714 37.076 1.00 0.00 WT3 H ATOM 41707 OH2 TIP3 4557 47.394 72.550 62.315 1.00 0.00 WT3 O ATOM 41708 H1 TIP3 4557 46.837 72.069 61.704 1.00 0.00 WT3 H ATOM 41709 H2 TIP3 4557 47.877 73.168 61.766 1.00 0.00 WT3 H ATOM 41710 OH2 TIP3 4558 63.154 32.772 -5.713 1.00 0.00 WT3 O ATOM 41711 H1 TIP3 4558 63.861 32.254 -6.099 1.00 0.00 WT3 H ATOM 41712 H2 TIP3 4558 63.508 33.074 -4.876 1.00 0.00 WT3 H ATOM 41713 OH2 TIP3 4559 41.669 47.170 -13.451 1.00 0.00 WT3 O ATOM 41714 H1 TIP3 4559 42.159 46.921 -12.667 1.00 0.00 WT3 H ATOM 41715 H2 TIP3 4559 41.501 48.106 -13.343 1.00 0.00 WT3 H ATOM 41716 OH2 TIP3 4560 84.184 46.757 -8.176 1.00 0.00 WT3 O ATOM 41717 H1 TIP3 4560 83.533 47.344 -7.792 1.00 0.00 WT3 H ATOM 41718 H2 TIP3 4560 84.644 46.385 -7.424 1.00 0.00 WT3 H ATOM 41719 OH2 TIP3 4561 30.778 89.881 45.902 1.00 0.00 WT3 O ATOM 41720 H1 TIP3 4561 30.668 89.320 45.135 1.00 0.00 WT3 H ATOM 41721 H2 TIP3 4561 31.328 90.602 45.595 1.00 0.00 WT3 H ATOM 41722 OH2 TIP3 4562 35.134 12.835 -14.634 1.00 0.00 WT3 O ATOM 41723 H1 TIP3 4562 35.904 12.440 -15.043 1.00 0.00 WT3 H ATOM 41724 H2 TIP3 4562 34.566 13.071 -15.367 1.00 0.00 WT3 H ATOM 41725 OH2 TIP3 4564 32.250 76.793 58.304 1.00 0.00 WT3 O ATOM 41726 H1 TIP3 4564 31.450 76.542 58.766 1.00 0.00 WT3 H ATOM 41727 H2 TIP3 4564 32.920 76.827 58.986 1.00 0.00 WT3 H ATOM 41728 OH2 TIP3 4566 22.378 80.561 6.204 1.00 0.00 WT3 O ATOM 41729 H1 TIP3 4566 21.815 79.833 5.941 1.00 0.00 WT3 H ATOM 41730 H2 TIP3 4566 22.566 80.397 7.129 1.00 0.00 WT3 H ATOM 41731 OH2 TIP3 4567 89.509 9.763 3.540 1.00 0.00 WT3 O ATOM 41732 H1 TIP3 4567 90.106 10.080 4.217 1.00 0.00 WT3 H ATOM 41733 H2 TIP3 4567 88.799 10.405 3.526 1.00 0.00 WT3 H ATOM 41734 OH2 TIP3 4568 56.762 78.921 22.032 1.00 0.00 WT3 O ATOM 41735 H1 TIP3 4568 56.269 78.163 21.717 1.00 0.00 WT3 H ATOM 41736 H2 TIP3 4568 56.791 78.809 22.982 1.00 0.00 WT3 H ATOM 41737 OH2 TIP3 4569 44.754 89.571 -16.471 1.00 0.00 WT3 O ATOM 41738 H1 TIP3 4569 44.044 89.103 -16.031 1.00 0.00 WT3 H ATOM 41739 H2 TIP3 4569 45.342 88.881 -16.779 1.00 0.00 WT3 H ATOM 41740 OH2 TIP3 4570 76.256 17.651 37.711 1.00 0.00 WT3 O ATOM 41741 H1 TIP3 4570 76.783 17.134 37.101 1.00 0.00 WT3 H ATOM 41742 H2 TIP3 4570 76.838 17.812 38.454 1.00 0.00 WT3 H ATOM 41743 OH2 TIP3 4571 74.478 5.770 -18.656 1.00 0.00 WT3 O ATOM 41744 H1 TIP3 4571 73.826 5.575 -17.982 1.00 0.00 WT3 H ATOM 41745 H2 TIP3 4571 74.486 6.725 -18.713 1.00 0.00 WT3 H ATOM 41746 OH2 TIP3 4572 81.315 80.419 37.916 1.00 0.00 WT3 O ATOM 41747 H1 TIP3 4572 80.616 80.848 38.409 1.00 0.00 WT3 H ATOM 41748 H2 TIP3 4572 80.899 79.646 37.534 1.00 0.00 WT3 H ATOM 41749 OH2 TIP3 4573 83.464 14.602 39.204 1.00 0.00 WT3 O ATOM 41750 H1 TIP3 4573 84.194 14.503 38.593 1.00 0.00 WT3 H ATOM 41751 H2 TIP3 4573 83.879 14.800 40.044 1.00 0.00 WT3 H ATOM 41752 OH2 TIP3 4574 86.953 84.041 4.938 1.00 0.00 WT3 O ATOM 41753 H1 TIP3 4574 86.201 83.608 5.342 1.00 0.00 WT3 H ATOM 41754 H2 TIP3 4574 87.451 83.330 4.534 1.00 0.00 WT3 H ATOM 41755 OH2 TIP3 4575 57.216 62.972 55.039 1.00 0.00 WT3 O ATOM 41756 H1 TIP3 4575 57.775 62.255 55.339 1.00 0.00 WT3 H ATOM 41757 H2 TIP3 4575 56.593 62.556 54.443 1.00 0.00 WT3 H ATOM 41758 OH2 TIP3 4576 49.138 78.995 -13.758 1.00 0.00 WT3 O ATOM 41759 H1 TIP3 4576 48.779 78.297 -14.306 1.00 0.00 WT3 H ATOM 41760 H2 TIP3 4576 49.264 78.587 -12.902 1.00 0.00 WT3 H ATOM 41761 OH2 TIP3 4578 79.951 78.052 -4.540 1.00 0.00 WT3 O ATOM 41762 H1 TIP3 4578 79.723 77.661 -5.384 1.00 0.00 WT3 H ATOM 41763 H2 TIP3 4578 80.752 78.546 -4.714 1.00 0.00 WT3 H ATOM 41764 OH2 TIP3 4579 43.851 52.397 42.880 1.00 0.00 WT3 O ATOM 41765 H1 TIP3 4579 44.185 53.184 42.450 1.00 0.00 WT3 H ATOM 41766 H2 TIP3 4579 43.695 51.780 42.166 1.00 0.00 WT3 H ATOM 41767 OH2 TIP3 4581 82.621 62.345 6.369 1.00 0.00 WT3 O ATOM 41768 H1 TIP3 4581 81.795 61.876 6.487 1.00 0.00 WT3 H ATOM 41769 H2 TIP3 4581 82.371 63.174 5.961 1.00 0.00 WT3 H ATOM 41770 OH2 TIP3 4582 84.967 60.910 2.970 1.00 0.00 WT3 O ATOM 41771 H1 TIP3 4582 84.208 61.488 2.900 1.00 0.00 WT3 H ATOM 41772 H2 TIP3 4582 84.982 60.643 3.889 1.00 0.00 WT3 H ATOM 41773 OH2 TIP3 4585 64.599 9.422 29.189 1.00 0.00 WT3 O ATOM 41774 H1 TIP3 4585 64.450 10.345 28.984 1.00 0.00 WT3 H ATOM 41775 H2 TIP3 4585 65.439 9.218 28.780 1.00 0.00 WT3 H ATOM 41776 OH2 TIP3 4586 70.205 14.313 62.759 1.00 0.00 WT3 O ATOM 41777 H1 TIP3 4586 70.304 13.826 61.941 1.00 0.00 WT3 H ATOM 41778 H2 TIP3 4586 70.890 13.964 63.330 1.00 0.00 WT3 H ATOM 41779 OH2 TIP3 4587 37.135 84.149 2.088 1.00 0.00 WT3 O ATOM 41780 H1 TIP3 4587 37.343 85.072 2.233 1.00 0.00 WT3 H ATOM 41781 H2 TIP3 4587 37.384 83.986 1.178 1.00 0.00 WT3 H ATOM 41782 OH2 TIP3 4588 41.838 76.155 61.927 1.00 0.00 WT3 O ATOM 41783 H1 TIP3 4588 42.363 76.584 62.603 1.00 0.00 WT3 H ATOM 41784 H2 TIP3 4588 40.938 76.419 62.118 1.00 0.00 WT3 H ATOM 41785 OH2 TIP3 4592 27.097 32.369 53.052 1.00 0.00 WT3 O ATOM 41786 H1 TIP3 4592 26.480 31.869 52.518 1.00 0.00 WT3 H ATOM 41787 H2 TIP3 4592 26.699 33.235 53.132 1.00 0.00 WT3 H ATOM 41788 OH2 TIP3 4594 55.023 26.935 10.704 1.00 0.00 WT3 O ATOM 41789 H1 TIP3 4594 54.077 26.923 10.564 1.00 0.00 WT3 H ATOM 41790 H2 TIP3 4594 55.128 27.236 11.607 1.00 0.00 WT3 H ATOM 41791 OH2 TIP3 4596 30.072 60.536 10.938 1.00 0.00 WT3 O ATOM 41792 H1 TIP3 4596 30.812 61.142 10.899 1.00 0.00 WT3 H ATOM 41793 H2 TIP3 4596 29.301 61.091 10.826 1.00 0.00 WT3 H ATOM 41794 OH2 TIP3 4597 69.164 78.482 44.212 1.00 0.00 WT3 O ATOM 41795 H1 TIP3 4597 69.228 77.756 43.592 1.00 0.00 WT3 H ATOM 41796 H2 TIP3 4597 69.835 78.297 44.869 1.00 0.00 WT3 H ATOM 41797 OH2 TIP3 4598 40.494 85.456 13.572 1.00 0.00 WT3 O ATOM 41798 H1 TIP3 4598 40.111 85.743 12.743 1.00 0.00 WT3 H ATOM 41799 H2 TIP3 4598 41.162 84.818 13.321 1.00 0.00 WT3 H ATOM 41800 OH2 TIP3 4599 28.894 49.124 65.266 1.00 0.00 WT3 O ATOM 41801 H1 TIP3 4599 28.723 49.783 65.939 1.00 0.00 WT3 H ATOM 41802 H2 TIP3 4599 29.467 48.487 65.693 1.00 0.00 WT3 H ATOM 41803 OH2 TIP3 4600 45.381 9.752 26.909 1.00 0.00 WT3 O ATOM 41804 H1 TIP3 4600 46.181 10.256 26.759 1.00 0.00 WT3 H ATOM 41805 H2 TIP3 4600 44.715 10.198 26.386 1.00 0.00 WT3 H ATOM 41806 OH2 TIP3 4605 35.172 3.701 17.929 1.00 0.00 WT3 O ATOM 41807 H1 TIP3 4605 35.310 4.181 18.746 1.00 0.00 WT3 H ATOM 41808 H2 TIP3 4605 35.349 2.788 18.153 1.00 0.00 WT3 H ATOM 41809 OH2 TIP3 4606 63.443 86.915 26.141 1.00 0.00 WT3 O ATOM 41810 H1 TIP3 4606 63.904 87.276 26.898 1.00 0.00 WT3 H ATOM 41811 H2 TIP3 4606 62.823 86.288 26.514 1.00 0.00 WT3 H ATOM 41812 OH2 TIP3 4607 73.861 47.742 7.715 1.00 0.00 WT3 O ATOM 41813 H1 TIP3 4607 73.763 48.493 8.301 1.00 0.00 WT3 H ATOM 41814 H2 TIP3 4607 73.156 47.147 7.967 1.00 0.00 WT3 H ATOM 41815 OH2 TIP3 4610 31.880 48.060 46.411 1.00 0.00 WT3 O ATOM 41816 H1 TIP3 4610 30.995 47.966 46.763 1.00 0.00 WT3 H ATOM 41817 H2 TIP3 4610 31.978 49.000 46.257 1.00 0.00 WT3 H ATOM 41818 OH2 TIP3 4611 41.395 73.390 -13.237 1.00 0.00 WT3 O ATOM 41819 H1 TIP3 4611 40.793 73.551 -12.510 1.00 0.00 WT3 H ATOM 41820 H2 TIP3 4611 41.428 72.436 -13.313 1.00 0.00 WT3 H ATOM 41821 OH2 TIP3 4612 33.840 85.857 55.607 1.00 0.00 WT3 O ATOM 41822 H1 TIP3 4612 34.780 85.727 55.484 1.00 0.00 WT3 H ATOM 41823 H2 TIP3 4612 33.709 86.797 55.479 1.00 0.00 WT3 H ATOM 41824 OH2 TIP3 4614 63.741 74.402 29.025 1.00 0.00 WT3 O ATOM 41825 H1 TIP3 4614 63.639 74.163 29.946 1.00 0.00 WT3 H ATOM 41826 H2 TIP3 4614 62.905 74.166 28.622 1.00 0.00 WT3 H ATOM 41827 OH2 TIP3 4615 46.586 3.987 2.693 1.00 0.00 WT3 O ATOM 41828 H1 TIP3 4615 46.411 4.198 3.610 1.00 0.00 WT3 H ATOM 41829 H2 TIP3 4615 46.237 3.103 2.579 1.00 0.00 WT3 H ATOM 41830 OH2 TIP3 4616 21.130 77.959 42.937 1.00 0.00 WT3 O ATOM 41831 H1 TIP3 4616 21.331 77.488 42.128 1.00 0.00 WT3 H ATOM 41832 H2 TIP3 4616 20.839 78.823 42.647 1.00 0.00 WT3 H ATOM 41833 OH2 TIP3 4617 72.001 60.906 5.973 1.00 0.00 WT3 O ATOM 41834 H1 TIP3 4617 71.418 60.972 6.729 1.00 0.00 WT3 H ATOM 41835 H2 TIP3 4617 72.665 61.580 6.123 1.00 0.00 WT3 H ATOM 41836 OH2 TIP3 4619 48.200 70.640 45.913 1.00 0.00 WT3 O ATOM 41837 H1 TIP3 4619 47.695 69.973 45.448 1.00 0.00 WT3 H ATOM 41838 H2 TIP3 4619 49.087 70.557 45.564 1.00 0.00 WT3 H ATOM 41839 OH2 TIP3 4620 73.269 22.283 66.672 1.00 0.00 WT3 O ATOM 41840 H1 TIP3 4620 73.554 21.825 65.882 1.00 0.00 WT3 H ATOM 41841 H2 TIP3 4620 72.455 22.717 66.418 1.00 0.00 WT3 H ATOM 41842 OH2 TIP3 4624 35.798 64.999 52.631 1.00 0.00 WT3 O ATOM 41843 H1 TIP3 4624 36.656 65.153 52.236 1.00 0.00 WT3 H ATOM 41844 H2 TIP3 4624 35.546 65.847 52.994 1.00 0.00 WT3 H ATOM 41845 OH2 TIP3 4625 47.251 16.654 45.216 1.00 0.00 WT3 O ATOM 41846 H1 TIP3 4625 48.138 16.582 45.568 1.00 0.00 WT3 H ATOM 41847 H2 TIP3 4625 46.860 17.382 45.698 1.00 0.00 WT3 H ATOM 41848 OH2 TIP3 4626 22.939 91.065 35.168 1.00 0.00 WT3 O ATOM 41849 H1 TIP3 4626 23.706 90.872 34.630 1.00 0.00 WT3 H ATOM 41850 H2 TIP3 4626 23.112 90.625 36.001 1.00 0.00 WT3 H ATOM 41851 OH2 TIP3 4628 25.776 1.155 41.916 1.00 0.00 WT3 O ATOM 41852 H1 TIP3 4628 25.274 0.370 41.698 1.00 0.00 WT3 H ATOM 41853 H2 TIP3 4628 25.559 1.779 41.223 1.00 0.00 WT3 H ATOM 41854 OH2 TIP3 4630 80.489 54.484 46.469 1.00 0.00 WT3 O ATOM 41855 H1 TIP3 4630 79.772 54.950 46.899 1.00 0.00 WT3 H ATOM 41856 H2 TIP3 4630 81.253 54.658 47.020 1.00 0.00 WT3 H ATOM 41857 OH2 TIP3 4631 37.806 15.073 47.948 1.00 0.00 WT3 O ATOM 41858 H1 TIP3 4631 38.169 15.203 47.072 1.00 0.00 WT3 H ATOM 41859 H2 TIP3 4631 38.442 14.509 48.390 1.00 0.00 WT3 H ATOM 41860 OH2 TIP3 4638 49.664 91.381 50.368 1.00 0.00 WT3 O ATOM 41861 H1 TIP3 4638 50.283 90.919 49.803 1.00 0.00 WT3 H ATOM 41862 H2 TIP3 4638 49.433 90.742 51.042 1.00 0.00 WT3 H ATOM 41863 OH2 TIP3 4639 64.534 58.291 16.942 1.00 0.00 WT3 O ATOM 41864 H1 TIP3 4639 63.611 58.522 17.043 1.00 0.00 WT3 H ATOM 41865 H2 TIP3 4639 64.522 57.388 16.624 1.00 0.00 WT3 H ATOM 41866 OH2 TIP3 4644 40.694 40.612 56.633 1.00 0.00 WT3 O ATOM 41867 H1 TIP3 4644 41.584 40.405 56.348 1.00 0.00 WT3 H ATOM 41868 H2 TIP3 4644 40.392 41.277 56.015 1.00 0.00 WT3 H ATOM 41869 OH2 TIP3 4649 55.510 79.654 -7.784 1.00 0.00 WT3 O ATOM 41870 H1 TIP3 4649 55.703 78.817 -8.205 1.00 0.00 WT3 H ATOM 41871 H2 TIP3 4649 56.176 79.740 -7.102 1.00 0.00 WT3 H ATOM 41872 OH2 TIP3 4654 86.872 20.434 0.807 1.00 0.00 WT3 O ATOM 41873 H1 TIP3 4654 87.081 19.574 1.171 1.00 0.00 WT3 H ATOM 41874 H2 TIP3 4654 87.562 21.008 1.138 1.00 0.00 WT3 H ATOM 41875 OH2 TIP3 4656 39.821 18.055 47.137 1.00 0.00 WT3 O ATOM 41876 H1 TIP3 4656 39.010 18.132 46.634 1.00 0.00 WT3 H ATOM 41877 H2 TIP3 4656 40.334 17.398 46.666 1.00 0.00 WT3 H ATOM 41878 OH2 TIP3 4657 29.704 60.789 56.611 1.00 0.00 WT3 O ATOM 41879 H1 TIP3 4657 30.380 61.459 56.706 1.00 0.00 WT3 H ATOM 41880 H2 TIP3 4657 29.179 60.864 57.408 1.00 0.00 WT3 H ATOM 41881 OH2 TIP3 4662 81.549 56.419 4.987 1.00 0.00 WT3 O ATOM 41882 H1 TIP3 4662 81.536 55.464 4.922 1.00 0.00 WT3 H ATOM 41883 H2 TIP3 4662 81.014 56.614 5.756 1.00 0.00 WT3 H ATOM 41884 OH2 TIP3 4663 43.499 92.693 37.939 1.00 0.00 WT3 O ATOM 41885 H1 TIP3 4663 43.665 91.758 38.061 1.00 0.00 WT3 H ATOM 41886 H2 TIP3 4663 42.854 92.732 37.233 1.00 0.00 WT3 H ATOM 41887 OH2 TIP3 4695 47.211 10.038 59.377 1.00 0.00 WT3 O ATOM 41888 H1 TIP3 4695 46.564 9.565 58.854 1.00 0.00 WT3 H ATOM 41889 H2 TIP3 4695 47.680 9.354 59.854 1.00 0.00 WT3 H ATOM 41890 OH2 TIP3 4701 59.871 9.080 28.225 1.00 0.00 WT3 O ATOM 41891 H1 TIP3 4701 60.678 8.616 28.449 1.00 0.00 WT3 H ATOM 41892 H2 TIP3 4701 59.706 8.847 27.311 1.00 0.00 WT3 H ATOM 41893 OH2 TIP3 4719 69.109 44.484 4.423 1.00 0.00 WT3 O ATOM 41894 H1 TIP3 4719 68.754 45.365 4.301 1.00 0.00 WT3 H ATOM 41895 H2 TIP3 4719 68.955 44.290 5.347 1.00 0.00 WT3 H ATOM 41896 OH2 TIP3 4725 49.266 11.647 55.306 1.00 0.00 WT3 O ATOM 41897 H1 TIP3 4725 49.765 11.200 54.623 1.00 0.00 WT3 H ATOM 41898 H2 TIP3 4725 48.533 11.059 55.491 1.00 0.00 WT3 H ATOM 41899 OH2 TIP3 4797 46.771 13.611 10.457 1.00 0.00 WT3 O ATOM 41900 H1 TIP3 4797 47.089 14.506 10.341 1.00 0.00 WT3 H ATOM 41901 H2 TIP3 4797 45.934 13.710 10.910 1.00 0.00 WT3 H ATOM 41902 OH2 TIP3 4807 38.768 78.364 67.313 1.00 0.00 WT3 O ATOM 41903 H1 TIP3 4807 39.246 77.551 67.479 1.00 0.00 WT3 H ATOM 41904 H2 TIP3 4807 38.819 78.483 66.365 1.00 0.00 WT3 H ATOM 41905 OH2 TIP3 4808 21.392 63.676 41.470 1.00 0.00 WT3 O ATOM 41906 H1 TIP3 4808 21.471 64.147 42.299 1.00 0.00 WT3 H ATOM 41907 H2 TIP3 4808 22.246 63.783 41.051 1.00 0.00 WT3 H ATOM 41908 OH2 TIP3 4809 82.262 16.403 53.564 1.00 0.00 WT3 O ATOM 41909 H1 TIP3 4809 82.470 15.579 53.124 1.00 0.00 WT3 H ATOM 41910 H2 TIP3 4809 81.426 16.674 53.184 1.00 0.00 WT3 H ATOM 41911 OH2 TIP3 4814 89.573 14.362 0.913 1.00 0.00 WT3 O ATOM 41912 H1 TIP3 4814 90.055 15.177 1.055 1.00 0.00 WT3 H ATOM 41913 H2 TIP3 4814 89.108 14.211 1.736 1.00 0.00 WT3 H ATOM 41914 OH2 TIP3 4834 65.769 78.325 22.110 1.00 0.00 WT3 O ATOM 41915 H1 TIP3 4834 66.234 77.499 22.244 1.00 0.00 WT3 H ATOM 41916 H2 TIP3 4834 65.049 78.103 21.521 1.00 0.00 WT3 H ATOM 41917 OH2 TIP3 4835 60.927 19.546 24.494 1.00 0.00 WT3 O ATOM 41918 H1 TIP3 4835 61.132 19.687 23.569 1.00 0.00 WT3 H ATOM 41919 H2 TIP3 4835 59.997 19.761 24.569 1.00 0.00 WT3 H ATOM 41920 OH2 TIP3 4836 79.732 76.641 -13.767 1.00 0.00 WT3 O ATOM 41921 H1 TIP3 4836 78.925 77.152 -13.704 1.00 0.00 WT3 H ATOM 41922 H2 TIP3 4836 79.463 75.742 -13.579 1.00 0.00 WT3 H ATOM 41923 OH2 TIP3 4844 74.640 67.899 22.954 1.00 0.00 WT3 O ATOM 41924 H1 TIP3 4844 73.970 67.894 23.637 1.00 0.00 WT3 H ATOM 41925 H2 TIP3 4844 74.769 68.825 22.750 1.00 0.00 WT3 H ATOM 41926 OH2 TIP3 4845 70.560 94.973 36.892 1.00 0.00 WT3 O ATOM 41927 H1 TIP3 4845 69.987 95.011 37.658 1.00 0.00 WT3 H ATOM 41928 H2 TIP3 4845 70.357 94.132 36.482 1.00 0.00 WT3 H ATOM 41929 OH2 TIP3 4847 69.863 5.972 58.563 1.00 0.00 WT3 O ATOM 41930 H1 TIP3 4847 69.195 6.427 58.051 1.00 0.00 WT3 H ATOM 41931 H2 TIP3 4847 70.544 5.751 57.927 1.00 0.00 WT3 H ATOM 41932 OH2 TIP3 4849 88.229 51.948 6.534 1.00 0.00 WT3 O ATOM 41933 H1 TIP3 4849 88.722 52.514 5.940 1.00 0.00 WT3 H ATOM 41934 H2 TIP3 4849 88.764 51.910 7.327 1.00 0.00 WT3 H ATOM 41935 OH2 TIP3 4851 36.338 49.281 27.225 1.00 0.00 WT3 O ATOM 41936 H1 TIP3 4851 35.739 49.922 27.609 1.00 0.00 WT3 H ATOM 41937 H2 TIP3 4851 36.706 49.725 26.461 1.00 0.00 WT3 H ATOM 41938 OH2 TIP3 4853 46.315 84.331 -9.993 1.00 0.00 WT3 O ATOM 41939 H1 TIP3 4853 45.454 84.459 -9.595 1.00 0.00 WT3 H ATOM 41940 H2 TIP3 4853 46.642 85.217 -10.147 1.00 0.00 WT3 H ATOM 41941 OH2 TIP3 4855 49.168 11.828 6.674 1.00 0.00 WT3 O ATOM 41942 H1 TIP3 4855 48.283 11.931 7.025 1.00 0.00 WT3 H ATOM 41943 H2 TIP3 4855 49.176 12.365 5.882 1.00 0.00 WT3 H ATOM 41944 OH2 TIP3 4857 87.991 59.544 23.899 1.00 0.00 WT3 O ATOM 41945 H1 TIP3 4857 88.586 58.918 24.313 1.00 0.00 WT3 H ATOM 41946 H2 TIP3 4857 87.117 59.186 24.060 1.00 0.00 WT3 H ATOM 41947 OH2 TIP3 4863 48.586 64.026 3.520 1.00 0.00 WT3 O ATOM 41948 H1 TIP3 4863 49.362 64.071 4.079 1.00 0.00 WT3 H ATOM 41949 H2 TIP3 4863 47.849 64.024 4.131 1.00 0.00 WT3 H ATOM 41950 OH2 TIP3 4864 58.199 62.333 -8.052 1.00 0.00 WT3 O ATOM 41951 H1 TIP3 4864 57.578 61.715 -7.666 1.00 0.00 WT3 H ATOM 41952 H2 TIP3 4864 58.490 62.872 -7.316 1.00 0.00 WT3 H ATOM 41953 OH2 TIP3 4870 47.137 64.486 59.915 1.00 0.00 WT3 O ATOM 41954 H1 TIP3 4870 48.083 64.353 59.860 1.00 0.00 WT3 H ATOM 41955 H2 TIP3 4870 47.033 65.229 60.510 1.00 0.00 WT3 H ATOM 41956 OH2 TIP3 4872 49.661 13.797 57.392 1.00 0.00 WT3 O ATOM 41957 H1 TIP3 4872 49.484 13.177 56.685 1.00 0.00 WT3 H ATOM 41958 H2 TIP3 4872 50.614 13.889 57.397 1.00 0.00 WT3 H ATOM 41959 OH2 TIP3 4873 80.382 7.737 11.297 1.00 0.00 WT3 O ATOM 41960 H1 TIP3 4873 79.761 8.455 11.177 1.00 0.00 WT3 H ATOM 41961 H2 TIP3 4873 80.381 7.276 10.458 1.00 0.00 WT3 H ATOM 41962 OH2 TIP3 4875 85.712 26.865 -19.757 1.00 0.00 WT3 O ATOM 41963 H1 TIP3 4875 85.952 26.542 -18.888 1.00 0.00 WT3 H ATOM 41964 H2 TIP3 4875 85.501 27.788 -19.620 1.00 0.00 WT3 H ATOM 41965 OH2 TIP3 4877 36.194 69.840 -13.742 1.00 0.00 WT3 O ATOM 41966 H1 TIP3 4877 36.463 69.434 -14.566 1.00 0.00 WT3 H ATOM 41967 H2 TIP3 4877 36.633 69.324 -13.065 1.00 0.00 WT3 H ATOM 41968 OH2 TIP3 4881 66.368 84.100 9.862 1.00 0.00 WT3 O ATOM 41969 H1 TIP3 4881 66.903 84.701 9.344 1.00 0.00 WT3 H ATOM 41970 H2 TIP3 4881 66.477 83.251 9.434 1.00 0.00 WT3 H ATOM 41971 OH2 TIP3 4888 85.324 88.821 -4.484 1.00 0.00 WT3 O ATOM 41972 H1 TIP3 4888 86.230 88.808 -4.793 1.00 0.00 WT3 H ATOM 41973 H2 TIP3 4888 84.809 89.039 -5.261 1.00 0.00 WT3 H ATOM 41974 OH2 TIP3 4893 60.861 29.352 1.924 1.00 0.00 WT3 O ATOM 41975 H1 TIP3 4893 60.748 29.347 0.974 1.00 0.00 WT3 H ATOM 41976 H2 TIP3 4893 60.619 30.239 2.190 1.00 0.00 WT3 H ATOM 41977 OH2 TIP3 4894 73.056 68.979 6.706 1.00 0.00 WT3 O ATOM 41978 H1 TIP3 4894 72.599 68.201 7.024 1.00 0.00 WT3 H ATOM 41979 H2 TIP3 4894 72.475 69.706 6.928 1.00 0.00 WT3 H ATOM 41980 OH2 TIP3 4895 24.770 9.473 42.123 1.00 0.00 WT3 O ATOM 41981 H1 TIP3 4895 25.290 8.876 41.586 1.00 0.00 WT3 H ATOM 41982 H2 TIP3 4895 24.691 9.030 42.968 1.00 0.00 WT3 H ATOM 41983 OH2 TIP3 4896 72.400 6.681 -7.503 1.00 0.00 WT3 O ATOM 41984 H1 TIP3 4896 71.815 6.610 -8.256 1.00 0.00 WT3 H ATOM 41985 H2 TIP3 4896 72.016 6.101 -6.845 1.00 0.00 WT3 H ATOM 41986 OH2 TIP3 4897 33.619 58.626 18.791 1.00 0.00 WT3 O ATOM 41987 H1 TIP3 4897 33.126 59.325 18.361 1.00 0.00 WT3 H ATOM 41988 H2 TIP3 4897 34.309 59.081 19.274 1.00 0.00 WT3 H ATOM 41989 OH2 TIP3 4898 60.964 60.882 31.597 1.00 0.00 WT3 O ATOM 41990 H1 TIP3 4898 60.308 61.507 31.290 1.00 0.00 WT3 H ATOM 41991 H2 TIP3 4898 60.787 60.084 31.098 1.00 0.00 WT3 H ATOM 41992 OH2 TIP3 4899 42.118 34.202 -3.765 1.00 0.00 WT3 O ATOM 41993 H1 TIP3 4899 41.532 34.849 -3.372 1.00 0.00 WT3 H ATOM 41994 H2 TIP3 4899 41.883 33.377 -3.340 1.00 0.00 WT3 H ATOM 41995 OH2 TIP3 4902 86.396 77.864 45.070 1.00 0.00 WT3 O ATOM 41996 H1 TIP3 4902 85.556 77.631 44.675 1.00 0.00 WT3 H ATOM 41997 H2 TIP3 4902 86.959 78.081 44.327 1.00 0.00 WT3 H ATOM 41998 OH2 TIP3 4905 51.183 4.063 24.655 1.00 0.00 WT3 O ATOM 41999 H1 TIP3 4905 50.755 3.810 23.837 1.00 0.00 WT3 H ATOM 42000 H2 TIP3 4905 51.311 5.009 24.577 1.00 0.00 WT3 H ATOM 42001 OH2 TIP3 4906 83.595 94.581 7.660 1.00 0.00 WT3 O ATOM 42002 H1 TIP3 4906 84.192 93.905 7.981 1.00 0.00 WT3 H ATOM 42003 H2 TIP3 4906 83.590 94.466 6.710 1.00 0.00 WT3 H ATOM 42004 OH2 TIP3 4909 43.162 54.097 -18.627 1.00 0.00 WT3 O ATOM 42005 H1 TIP3 4909 43.169 53.140 -18.610 1.00 0.00 WT3 H ATOM 42006 H2 TIP3 4909 43.023 54.320 -19.548 1.00 0.00 WT3 H ATOM 42007 OH2 TIP3 4910 23.515 28.669 57.943 1.00 0.00 WT3 O ATOM 42008 H1 TIP3 4910 24.429 28.836 58.174 1.00 0.00 WT3 H ATOM 42009 H2 TIP3 4910 23.021 28.911 58.726 1.00 0.00 WT3 H ATOM 42010 OH2 TIP3 4913 48.137 49.354 55.153 1.00 0.00 WT3 O ATOM 42011 H1 TIP3 4913 48.736 50.059 55.399 1.00 0.00 WT3 H ATOM 42012 H2 TIP3 4913 47.580 49.738 54.476 1.00 0.00 WT3 H ATOM 42013 OH2 TIP3 4914 89.915 76.685 -17.539 1.00 0.00 WT3 O ATOM 42014 H1 TIP3 4914 89.373 76.292 -16.855 1.00 0.00 WT3 H ATOM 42015 H2 TIP3 4914 90.100 77.569 -17.221 1.00 0.00 WT3 H ATOM 42016 OH2 TIP3 4915 24.254 37.838 3.408 1.00 0.00 WT3 O ATOM 42017 H1 TIP3 4915 24.557 38.139 4.265 1.00 0.00 WT3 H ATOM 42018 H2 TIP3 4915 25.026 37.437 3.009 1.00 0.00 WT3 H ATOM 42019 OH2 TIP3 4916 84.436 24.937 -9.103 1.00 0.00 WT3 O ATOM 42020 H1 TIP3 4916 84.640 24.251 -8.467 1.00 0.00 WT3 H ATOM 42021 H2 TIP3 4916 83.991 24.479 -9.816 1.00 0.00 WT3 H ATOM 42022 OH2 TIP3 4917 62.286 72.360 -6.756 1.00 0.00 WT3 O ATOM 42023 H1 TIP3 4917 63.231 72.331 -6.902 1.00 0.00 WT3 H ATOM 42024 H2 TIP3 4917 62.188 72.781 -5.902 1.00 0.00 WT3 H ATOM 42025 OH2 TIP3 4919 58.288 80.963 16.266 1.00 0.00 WT3 O ATOM 42026 H1 TIP3 4919 58.178 81.867 16.561 1.00 0.00 WT3 H ATOM 42027 H2 TIP3 4919 57.517 80.792 15.725 1.00 0.00 WT3 H ATOM 42028 OH2 TIP3 4920 59.682 7.924 -11.199 1.00 0.00 WT3 O ATOM 42029 H1 TIP3 4920 59.388 7.179 -10.676 1.00 0.00 WT3 H ATOM 42030 H2 TIP3 4920 59.500 7.669 -12.104 1.00 0.00 WT3 H ATOM 42031 OH2 TIP3 4922 36.831 89.049 38.552 1.00 0.00 WT3 O ATOM 42032 H1 TIP3 4922 37.088 89.150 39.469 1.00 0.00 WT3 H ATOM 42033 H2 TIP3 4922 36.773 88.103 38.422 1.00 0.00 WT3 H ATOM 42034 OH2 TIP3 4924 24.212 63.063 -3.804 1.00 0.00 WT3 O ATOM 42035 H1 TIP3 4924 23.430 63.411 -3.375 1.00 0.00 WT3 H ATOM 42036 H2 TIP3 4924 24.658 62.562 -3.121 1.00 0.00 WT3 H ATOM 42037 OH2 TIP3 4928 37.652 67.413 20.178 1.00 0.00 WT3 O ATOM 42038 H1 TIP3 4928 38.302 66.808 19.823 1.00 0.00 WT3 H ATOM 42039 H2 TIP3 4928 38.022 67.700 21.013 1.00 0.00 WT3 H ATOM 42040 OH2 TIP3 4929 36.688 70.483 23.286 1.00 0.00 WT3 O ATOM 42041 H1 TIP3 4929 36.685 69.544 23.103 1.00 0.00 WT3 H ATOM 42042 H2 TIP3 4929 36.964 70.549 24.200 1.00 0.00 WT3 H ATOM 42043 OH2 TIP3 4931 43.392 59.982 42.832 1.00 0.00 WT3 O ATOM 42044 H1 TIP3 4931 43.037 60.772 42.423 1.00 0.00 WT3 H ATOM 42045 H2 TIP3 4931 43.601 59.405 42.098 1.00 0.00 WT3 H ATOM 42046 OH2 TIP3 4933 71.245 62.991 28.634 1.00 0.00 WT3 O ATOM 42047 H1 TIP3 4933 70.885 63.145 29.507 1.00 0.00 WT3 H ATOM 42048 H2 TIP3 4933 70.776 62.222 28.312 1.00 0.00 WT3 H ATOM 42049 OH2 TIP3 4934 38.950 3.609 62.367 1.00 0.00 WT3 O ATOM 42050 H1 TIP3 4934 39.235 4.332 61.808 1.00 0.00 WT3 H ATOM 42051 H2 TIP3 4934 39.572 2.905 62.186 1.00 0.00 WT3 H ATOM 42052 OH2 TIP3 4935 85.749 35.229 1.730 1.00 0.00 WT3 O ATOM 42053 H1 TIP3 4935 85.839 34.495 2.337 1.00 0.00 WT3 H ATOM 42054 H2 TIP3 4935 85.744 36.005 2.291 1.00 0.00 WT3 H ATOM 42055 OH2 TIP3 4936 73.293 92.217 -19.552 1.00 0.00 WT3 O ATOM 42056 H1 TIP3 4936 73.064 93.008 -19.065 1.00 0.00 WT3 H ATOM 42057 H2 TIP3 4936 72.551 91.628 -19.416 1.00 0.00 WT3 H ATOM 42058 OH2 TIP3 4937 83.624 60.775 -4.376 1.00 0.00 WT3 O ATOM 42059 H1 TIP3 4937 84.120 60.013 -4.676 1.00 0.00 WT3 H ATOM 42060 H2 TIP3 4937 84.274 61.328 -3.942 1.00 0.00 WT3 H ATOM 42061 OH2 TIP3 4938 24.924 96.481 22.211 1.00 0.00 WT3 O ATOM 42062 H1 TIP3 4938 25.752 96.937 22.059 1.00 0.00 WT3 H ATOM 42063 H2 TIP3 4938 25.155 95.553 22.199 1.00 0.00 WT3 H ATOM 42064 OH2 TIP3 4939 42.671 45.402 -1.997 1.00 0.00 WT3 O ATOM 42065 H1 TIP3 4939 43.531 45.783 -1.819 1.00 0.00 WT3 H ATOM 42066 H2 TIP3 4939 42.765 44.478 -1.765 1.00 0.00 WT3 H ATOM 42067 OH2 TIP3 4940 32.199 7.914 63.202 1.00 0.00 WT3 O ATOM 42068 H1 TIP3 4940 31.501 7.312 63.459 1.00 0.00 WT3 H ATOM 42069 H2 TIP3 4940 31.832 8.407 62.468 1.00 0.00 WT3 H ATOM 42070 OH2 TIP3 4942 82.809 67.528 -9.935 1.00 0.00 WT3 O ATOM 42071 H1 TIP3 4942 83.559 68.106 -9.792 1.00 0.00 WT3 H ATOM 42072 H2 TIP3 4942 82.180 68.065 -10.415 1.00 0.00 WT3 H ATOM 42073 OH2 TIP3 4943 24.793 43.872 -15.737 1.00 0.00 WT3 O ATOM 42074 H1 TIP3 4943 25.043 44.796 -15.713 1.00 0.00 WT3 H ATOM 42075 H2 TIP3 4943 23.866 43.868 -15.498 1.00 0.00 WT3 H ATOM 42076 OH2 TIP3 4944 50.433 17.343 41.822 1.00 0.00 WT3 O ATOM 42077 H1 TIP3 4944 49.573 17.440 42.232 1.00 0.00 WT3 H ATOM 42078 H2 TIP3 4944 50.377 17.866 41.022 1.00 0.00 WT3 H ATOM 42079 OH2 TIP3 4945 22.799 66.720 19.292 1.00 0.00 WT3 O ATOM 42080 H1 TIP3 4945 23.085 67.122 20.112 1.00 0.00 WT3 H ATOM 42081 H2 TIP3 4945 22.099 66.121 19.550 1.00 0.00 WT3 H ATOM 42082 OH2 TIP3 4946 43.402 67.648 66.771 1.00 0.00 WT3 O ATOM 42083 H1 TIP3 4946 42.787 67.165 66.219 1.00 0.00 WT3 H ATOM 42084 H2 TIP3 4946 44.206 67.692 66.253 1.00 0.00 WT3 H ATOM 42085 OH2 TIP3 4949 29.410 72.154 -12.671 1.00 0.00 WT3 O ATOM 42086 H1 TIP3 4949 30.035 72.540 -12.057 1.00 0.00 WT3 H ATOM 42087 H2 TIP3 4949 28.942 71.497 -12.157 1.00 0.00 WT3 H ATOM 42088 OH2 TIP3 4950 79.951 66.034 55.626 1.00 0.00 WT3 O ATOM 42089 H1 TIP3 4950 80.512 66.469 56.269 1.00 0.00 WT3 H ATOM 42090 H2 TIP3 4950 80.371 66.209 54.784 1.00 0.00 WT3 H ATOM 42091 OH2 TIP3 4953 56.799 64.262 18.101 1.00 0.00 WT3 O ATOM 42092 H1 TIP3 4953 56.390 64.365 17.241 1.00 0.00 WT3 H ATOM 42093 H2 TIP3 4953 57.533 63.667 17.948 1.00 0.00 WT3 H ATOM 42094 OH2 TIP3 4954 71.373 92.222 12.121 1.00 0.00 WT3 O ATOM 42095 H1 TIP3 4954 71.514 92.497 11.215 1.00 0.00 WT3 H ATOM 42096 H2 TIP3 4954 71.464 93.026 12.632 1.00 0.00 WT3 H ATOM 42097 OH2 TIP3 4955 57.153 77.810 14.723 1.00 0.00 WT3 O ATOM 42098 H1 TIP3 4955 58.078 78.047 14.793 1.00 0.00 WT3 H ATOM 42099 H2 TIP3 4955 57.160 76.879 14.502 1.00 0.00 WT3 H ATOM 42100 OH2 TIP3 4956 31.893 18.730 48.085 1.00 0.00 WT3 O ATOM 42101 H1 TIP3 4956 31.464 18.786 47.232 1.00 0.00 WT3 H ATOM 42102 H2 TIP3 4956 32.657 18.175 47.934 1.00 0.00 WT3 H ATOM 42103 OH2 TIP3 4957 49.282 83.282 10.700 1.00 0.00 WT3 O ATOM 42104 H1 TIP3 4957 49.597 84.146 10.966 1.00 0.00 WT3 H ATOM 42105 H2 TIP3 4957 49.787 83.074 9.914 1.00 0.00 WT3 H ATOM 42106 OH2 TIP3 4958 71.526 94.242 -11.179 1.00 0.00 WT3 O ATOM 42107 H1 TIP3 4958 72.064 93.906 -11.896 1.00 0.00 WT3 H ATOM 42108 H2 TIP3 4958 70.894 93.544 -11.006 1.00 0.00 WT3 H ATOM 42109 OH2 TIP3 4959 31.954 1.760 16.664 1.00 0.00 WT3 O ATOM 42110 H1 TIP3 4959 32.159 1.043 16.063 1.00 0.00 WT3 H ATOM 42111 H2 TIP3 4959 31.155 1.479 17.109 1.00 0.00 WT3 H ATOM 42112 OH2 TIP3 4960 80.790 69.182 6.678 1.00 0.00 WT3 O ATOM 42113 H1 TIP3 4960 81.417 69.838 6.372 1.00 0.00 WT3 H ATOM 42114 H2 TIP3 4960 80.397 68.834 5.878 1.00 0.00 WT3 H ATOM 42115 OH2 TIP3 4961 23.690 27.111 -3.145 1.00 0.00 WT3 O ATOM 42116 H1 TIP3 4961 24.019 26.621 -3.898 1.00 0.00 WT3 H ATOM 42117 H2 TIP3 4961 22.788 26.807 -3.037 1.00 0.00 WT3 H ATOM 42118 OH2 TIP3 4962 25.843 20.663 58.461 1.00 0.00 WT3 O ATOM 42119 H1 TIP3 4962 26.000 20.105 57.699 1.00 0.00 WT3 H ATOM 42120 H2 TIP3 4962 26.595 20.505 59.033 1.00 0.00 WT3 H ATOM 42121 OH2 TIP3 4963 33.182 4.550 -18.086 1.00 0.00 WT3 O ATOM 42122 H1 TIP3 4963 32.859 4.277 -17.227 1.00 0.00 WT3 H ATOM 42123 H2 TIP3 4963 33.951 4.001 -18.239 1.00 0.00 WT3 H ATOM 42124 OH2 TIP3 4964 38.454 46.093 -11.449 1.00 0.00 WT3 O ATOM 42125 H1 TIP3 4964 37.529 46.237 -11.648 1.00 0.00 WT3 H ATOM 42126 H2 TIP3 4964 38.745 46.915 -11.054 1.00 0.00 WT3 H ATOM 42127 OH2 TIP3 4965 42.055 73.915 2.527 1.00 0.00 WT3 O ATOM 42128 H1 TIP3 4965 42.443 73.530 3.313 1.00 0.00 WT3 H ATOM 42129 H2 TIP3 4965 41.140 74.068 2.762 1.00 0.00 WT3 H ATOM 42130 OH2 TIP3 4967 87.971 70.747 12.060 1.00 0.00 WT3 O ATOM 42131 H1 TIP3 4967 88.412 71.131 11.302 1.00 0.00 WT3 H ATOM 42132 H2 TIP3 4967 88.470 71.062 12.814 1.00 0.00 WT3 H ATOM 42133 OH2 TIP3 4968 43.851 30.412 6.896 1.00 0.00 WT3 O ATOM 42134 H1 TIP3 4968 44.632 29.901 7.107 1.00 0.00 WT3 H ATOM 42135 H2 TIP3 4968 43.309 30.358 7.683 1.00 0.00 WT3 H ATOM 42136 OH2 TIP3 4970 75.097 69.727 4.845 1.00 0.00 WT3 O ATOM 42137 H1 TIP3 4970 74.833 70.557 4.447 1.00 0.00 WT3 H ATOM 42138 H2 TIP3 4970 74.299 69.393 5.255 1.00 0.00 WT3 H ATOM 42139 OH2 TIP3 4971 55.503 37.883 44.714 1.00 0.00 WT3 O ATOM 42140 H1 TIP3 4971 55.407 38.832 44.633 1.00 0.00 WT3 H ATOM 42141 H2 TIP3 4971 54.880 37.637 45.398 1.00 0.00 WT3 H ATOM 42142 OH2 TIP3 4972 50.264 84.511 0.443 1.00 0.00 WT3 O ATOM 42143 H1 TIP3 4972 50.659 83.723 0.069 1.00 0.00 WT3 H ATOM 42144 H2 TIP3 4972 49.986 84.246 1.320 1.00 0.00 WT3 H ATOM 42145 OH2 TIP3 4973 79.252 61.945 47.582 1.00 0.00 WT3 O ATOM 42146 H1 TIP3 4973 78.607 61.840 48.281 1.00 0.00 WT3 H ATOM 42147 H2 TIP3 4973 79.299 62.891 47.439 1.00 0.00 WT3 H ATOM 42148 OH2 TIP3 4974 52.299 78.206 29.665 1.00 0.00 WT3 O ATOM 42149 H1 TIP3 4974 52.788 77.867 28.915 1.00 0.00 WT3 H ATOM 42150 H2 TIP3 4974 51.803 77.454 29.989 1.00 0.00 WT3 H ATOM 42151 OH2 TIP3 4975 77.998 86.444 15.474 1.00 0.00 WT3 O ATOM 42152 H1 TIP3 4975 78.773 86.695 15.975 1.00 0.00 WT3 H ATOM 42153 H2 TIP3 4975 78.173 86.757 14.587 1.00 0.00 WT3 H ATOM 42154 OH2 TIP3 4976 69.012 79.829 -0.690 1.00 0.00 WT3 O ATOM 42155 H1 TIP3 4976 68.612 78.967 -0.569 1.00 0.00 WT3 H ATOM 42156 H2 TIP3 4976 68.272 80.419 -0.833 1.00 0.00 WT3 H ATOM 42157 OH2 TIP3 4977 73.876 13.609 53.705 1.00 0.00 WT3 O ATOM 42158 H1 TIP3 4977 73.534 12.768 53.402 1.00 0.00 WT3 H ATOM 42159 H2 TIP3 4977 73.155 14.224 53.568 1.00 0.00 WT3 H ATOM 42160 OH2 TIP3 4978 60.983 12.700 21.102 1.00 0.00 WT3 O ATOM 42161 H1 TIP3 4978 61.747 12.870 21.652 1.00 0.00 WT3 H ATOM 42162 H2 TIP3 4978 60.709 11.814 21.340 1.00 0.00 WT3 H ATOM 42163 OH2 TIP3 4979 41.065 66.067 65.748 1.00 0.00 WT3 O ATOM 42164 H1 TIP3 4979 40.159 65.785 65.622 1.00 0.00 WT3 H ATOM 42165 H2 TIP3 4979 41.569 65.541 65.127 1.00 0.00 WT3 H ATOM 42166 OH2 TIP3 4980 67.535 23.822 34.026 1.00 0.00 WT3 O ATOM 42167 H1 TIP3 4980 68.355 23.341 33.916 1.00 0.00 WT3 H ATOM 42168 H2 TIP3 4980 67.259 24.032 33.134 1.00 0.00 WT3 H ATOM 42169 OH2 TIP3 4981 80.369 80.334 25.566 1.00 0.00 WT3 O ATOM 42170 H1 TIP3 4981 80.123 81.226 25.320 1.00 0.00 WT3 H ATOM 42171 H2 TIP3 4981 79.823 80.137 26.327 1.00 0.00 WT3 H ATOM 42172 OH2 TIP3 4982 90.624 54.440 56.061 1.00 0.00 WT3 O ATOM 42173 H1 TIP3 4982 89.706 54.459 56.331 1.00 0.00 WT3 H ATOM 42174 H2 TIP3 4982 91.102 54.792 56.812 1.00 0.00 WT3 H ATOM 42175 OH2 TIP3 4983 30.264 9.639 -9.378 1.00 0.00 WT3 O ATOM 42176 H1 TIP3 4983 29.383 9.369 -9.117 1.00 0.00 WT3 H ATOM 42177 H2 TIP3 4983 30.342 9.354 -10.289 1.00 0.00 WT3 H ATOM 42178 OH2 TIP3 4985 58.835 89.058 8.176 1.00 0.00 WT3 O ATOM 42179 H1 TIP3 4985 58.462 89.290 9.026 1.00 0.00 WT3 H ATOM 42180 H2 TIP3 4985 59.779 89.030 8.327 1.00 0.00 WT3 H ATOM 42181 OH2 TIP3 4987 67.312 15.009 53.050 1.00 0.00 WT3 O ATOM 42182 H1 TIP3 4987 66.586 15.033 52.426 1.00 0.00 WT3 H ATOM 42183 H2 TIP3 4987 68.044 14.645 52.553 1.00 0.00 WT3 H ATOM 42184 OH2 TIP3 4989 65.660 92.942 -6.640 1.00 0.00 WT3 O ATOM 42185 H1 TIP3 4989 65.114 93.335 -7.321 1.00 0.00 WT3 H ATOM 42186 H2 TIP3 4989 65.062 92.380 -6.148 1.00 0.00 WT3 H ATOM 42187 OH2 TIP3 4991 21.480 25.159 45.294 1.00 0.00 WT3 O ATOM 42188 H1 TIP3 4991 22.235 24.656 44.991 1.00 0.00 WT3 H ATOM 42189 H2 TIP3 4991 20.766 24.522 45.333 1.00 0.00 WT3 H ATOM 42190 OH2 TIP3 4994 44.996 4.896 39.186 1.00 0.00 WT3 O ATOM 42191 H1 TIP3 4994 44.106 4.695 38.897 1.00 0.00 WT3 H ATOM 42192 H2 TIP3 4994 45.160 4.281 39.901 1.00 0.00 WT3 H ATOM 42193 OH2 TIP3 4995 79.439 62.682 55.693 1.00 0.00 WT3 O ATOM 42194 H1 TIP3 4995 79.767 63.575 55.592 1.00 0.00 WT3 H ATOM 42195 H2 TIP3 4995 78.533 62.723 55.388 1.00 0.00 WT3 H ATOM 42196 OH2 TIP3 4996 40.682 48.713 43.482 1.00 0.00 WT3 O ATOM 42197 H1 TIP3 4996 40.806 48.775 44.430 1.00 0.00 WT3 H ATOM 42198 H2 TIP3 4996 40.692 49.621 43.180 1.00 0.00 WT3 H ATOM 42199 OH2 TIP3 4998 55.229 82.801 44.894 1.00 0.00 WT3 O ATOM 42200 H1 TIP3 4998 55.707 82.141 44.393 1.00 0.00 WT3 H ATOM 42201 H2 TIP3 4998 54.319 82.705 44.611 1.00 0.00 WT3 H ATOM 42202 OH2 TIP3 4999 65.156 10.838 26.050 1.00 0.00 WT3 O ATOM 42203 H1 TIP3 4999 65.701 10.076 26.246 1.00 0.00 WT3 H ATOM 42204 H2 TIP3 4999 65.198 11.374 26.842 1.00 0.00 WT3 H ATOM 42205 OH2 TIP3 5000 49.964 56.480 62.255 1.00 0.00 WT3 O ATOM 42206 H1 TIP3 5000 49.488 55.705 61.957 1.00 0.00 WT3 H ATOM 42207 H2 TIP3 5000 49.913 57.091 61.519 1.00 0.00 WT3 H ATOM 42208 OH2 TIP3 5001 35.659 78.903 28.618 1.00 0.00 WT3 O ATOM 42209 H1 TIP3 5001 36.134 78.303 28.044 1.00 0.00 WT3 H ATOM 42210 H2 TIP3 5001 36.297 79.152 29.287 1.00 0.00 WT3 H ATOM 42211 OH2 TIP3 5002 45.092 15.188 55.189 1.00 0.00 WT3 O ATOM 42212 H1 TIP3 5002 46.005 14.915 55.102 1.00 0.00 WT3 H ATOM 42213 H2 TIP3 5002 44.918 15.698 54.398 1.00 0.00 WT3 H ATOM 42214 OH2 TIP3 5003 34.428 56.397 60.829 1.00 0.00 WT3 O ATOM 42215 H1 TIP3 5003 34.120 56.544 59.935 1.00 0.00 WT3 H ATOM 42216 H2 TIP3 5003 33.747 56.778 61.384 1.00 0.00 WT3 H ATOM 42217 OH2 TIP3 5004 39.771 95.218 -16.644 1.00 0.00 WT3 O ATOM 42218 H1 TIP3 5004 40.475 95.837 -16.453 1.00 0.00 WT3 H ATOM 42219 H2 TIP3 5004 39.907 94.500 -16.025 1.00 0.00 WT3 H ATOM 42220 OH2 TIP3 5005 31.715 89.314 5.634 1.00 0.00 WT3 O ATOM 42221 H1 TIP3 5005 30.892 89.051 5.224 1.00 0.00 WT3 H ATOM 42222 H2 TIP3 5005 31.452 89.734 6.453 1.00 0.00 WT3 H ATOM 42223 OH2 TIP3 5006 71.724 55.962 54.279 1.00 0.00 WT3 O ATOM 42224 H1 TIP3 5006 71.451 55.338 54.952 1.00 0.00 WT3 H ATOM 42225 H2 TIP3 5006 71.105 55.827 53.562 1.00 0.00 WT3 H ATOM 42226 OH2 TIP3 5007 43.299 45.473 -5.054 1.00 0.00 WT3 O ATOM 42227 H1 TIP3 5007 44.131 45.100 -4.763 1.00 0.00 WT3 H ATOM 42228 H2 TIP3 5007 43.143 46.207 -4.460 1.00 0.00 WT3 H ATOM 42229 OH2 TIP3 5008 54.783 0.903 -15.713 1.00 0.00 WT3 O ATOM 42230 H1 TIP3 5008 54.548 0.074 -15.297 1.00 0.00 WT3 H ATOM 42231 H2 TIP3 5008 54.616 1.564 -15.041 1.00 0.00 WT3 H ATOM 42232 OH2 TIP3 5009 39.721 81.957 8.404 1.00 0.00 WT3 O ATOM 42233 H1 TIP3 5009 40.236 81.159 8.281 1.00 0.00 WT3 H ATOM 42234 H2 TIP3 5009 39.863 82.196 9.320 1.00 0.00 WT3 H ATOM 42235 OH2 TIP3 5010 62.747 4.989 -2.135 1.00 0.00 WT3 O ATOM 42236 H1 TIP3 5010 62.813 5.933 -1.991 1.00 0.00 WT3 H ATOM 42237 H2 TIP3 5010 63.557 4.758 -2.589 1.00 0.00 WT3 H ATOM 42238 OH2 TIP3 5011 32.665 31.710 33.658 1.00 0.00 WT3 O ATOM 42239 H1 TIP3 5011 33.321 32.396 33.534 1.00 0.00 WT3 H ATOM 42240 H2 TIP3 5011 31.878 32.051 33.233 1.00 0.00 WT3 H ATOM 42241 OH2 TIP3 5012 20.963 46.562 25.768 1.00 0.00 WT3 O ATOM 42242 H1 TIP3 5012 21.179 47.462 25.524 1.00 0.00 WT3 H ATOM 42243 H2 TIP3 5012 20.878 46.100 24.933 1.00 0.00 WT3 H ATOM 42244 OH2 TIP3 5013 35.388 43.828 41.044 1.00 0.00 WT3 O ATOM 42245 H1 TIP3 5013 34.612 43.428 41.438 1.00 0.00 WT3 H ATOM 42246 H2 TIP3 5013 35.963 44.017 41.786 1.00 0.00 WT3 H ATOM 42247 OH2 TIP3 5014 75.142 76.763 40.880 1.00 0.00 WT3 O ATOM 42248 H1 TIP3 5014 75.245 76.006 40.304 1.00 0.00 WT3 H ATOM 42249 H2 TIP3 5014 75.998 76.864 41.298 1.00 0.00 WT3 H ATOM 42250 OH2 TIP3 5015 20.919 30.627 24.801 1.00 0.00 WT3 O ATOM 42251 H1 TIP3 5015 21.701 30.224 24.424 1.00 0.00 WT3 H ATOM 42252 H2 TIP3 5015 21.072 31.569 24.722 1.00 0.00 WT3 H ATOM 42253 OH2 TIP3 5016 62.722 55.494 63.023 1.00 0.00 WT3 O ATOM 42254 H1 TIP3 5016 62.220 54.997 62.377 1.00 0.00 WT3 H ATOM 42255 H2 TIP3 5016 62.109 56.154 63.346 1.00 0.00 WT3 H ATOM 42256 OH2 TIP3 5017 44.684 34.646 -19.977 1.00 0.00 WT3 O ATOM 42257 H1 TIP3 5017 43.733 34.628 -19.869 1.00 0.00 WT3 H ATOM 42258 H2 TIP3 5017 44.975 35.370 -19.424 1.00 0.00 WT3 H ATOM 42259 OH2 TIP3 5018 53.403 10.110 25.577 1.00 0.00 WT3 O ATOM 42260 H1 TIP3 5018 53.937 9.318 25.641 1.00 0.00 WT3 H ATOM 42261 H2 TIP3 5018 52.743 9.902 24.916 1.00 0.00 WT3 H ATOM 42262 OH2 TIP3 5019 88.051 51.419 12.159 1.00 0.00 WT3 O ATOM 42263 H1 TIP3 5019 88.882 51.486 11.689 1.00 0.00 WT3 H ATOM 42264 H2 TIP3 5019 88.101 52.096 12.833 1.00 0.00 WT3 H ATOM 42265 OH2 TIP3 5020 65.574 39.633 35.319 1.00 0.00 WT3 O ATOM 42266 H1 TIP3 5020 65.309 40.531 35.518 1.00 0.00 WT3 H ATOM 42267 H2 TIP3 5020 65.342 39.512 34.399 1.00 0.00 WT3 H ATOM 42268 OH2 TIP3 5021 82.955 32.171 -5.159 1.00 0.00 WT3 O ATOM 42269 H1 TIP3 5021 82.946 32.453 -4.245 1.00 0.00 WT3 H ATOM 42270 H2 TIP3 5021 83.039 32.983 -5.660 1.00 0.00 WT3 H ATOM 42271 OH2 TIP3 5022 28.522 17.456 61.122 1.00 0.00 WT3 O ATOM 42272 H1 TIP3 5022 29.342 17.236 61.563 1.00 0.00 WT3 H ATOM 42273 H2 TIP3 5022 27.841 17.076 61.678 1.00 0.00 WT3 H ATOM 42274 OH2 TIP3 5023 57.536 89.447 -15.727 1.00 0.00 WT3 O ATOM 42275 H1 TIP3 5023 57.247 88.670 -16.205 1.00 0.00 WT3 H ATOM 42276 H2 TIP3 5023 58.058 89.102 -15.003 1.00 0.00 WT3 H ATOM 42277 OH2 TIP3 5024 23.513 2.066 5.436 1.00 0.00 WT3 O ATOM 42278 H1 TIP3 5024 22.996 2.870 5.491 1.00 0.00 WT3 H ATOM 42279 H2 TIP3 5024 22.956 1.455 4.954 1.00 0.00 WT3 H ATOM 42280 OH2 TIP3 5025 77.495 95.751 1.718 1.00 0.00 WT3 O ATOM 42281 H1 TIP3 5025 77.098 95.101 1.139 1.00 0.00 WT3 H ATOM 42282 H2 TIP3 5025 76.832 96.436 1.800 1.00 0.00 WT3 H ATOM 42283 OH2 TIP3 5027 73.493 62.712 6.834 1.00 0.00 WT3 O ATOM 42284 H1 TIP3 5027 73.183 62.509 7.716 1.00 0.00 WT3 H ATOM 42285 H2 TIP3 5027 73.651 63.656 6.846 1.00 0.00 WT3 H ATOM 42286 OH2 TIP3 5031 63.958 72.188 48.020 1.00 0.00 WT3 O ATOM 42287 H1 TIP3 5031 63.694 72.051 47.110 1.00 0.00 WT3 H ATOM 42288 H2 TIP3 5031 63.273 72.747 48.387 1.00 0.00 WT3 H ATOM 42289 OH2 TIP3 5033 53.985 4.182 30.982 1.00 0.00 WT3 O ATOM 42290 H1 TIP3 5033 53.424 4.435 30.249 1.00 0.00 WT3 H ATOM 42291 H2 TIP3 5033 54.328 5.009 31.319 1.00 0.00 WT3 H ATOM 42292 OH2 TIP3 5034 67.176 12.777 47.356 1.00 0.00 WT3 O ATOM 42293 H1 TIP3 5034 66.706 13.506 46.953 1.00 0.00 WT3 H ATOM 42294 H2 TIP3 5034 66.495 12.260 47.787 1.00 0.00 WT3 H ATOM 42295 OH2 TIP3 5039 36.286 77.418 14.599 1.00 0.00 WT3 O ATOM 42296 H1 TIP3 5039 36.278 76.512 14.908 1.00 0.00 WT3 H ATOM 42297 H2 TIP3 5039 36.164 77.350 13.652 1.00 0.00 WT3 H ATOM 42298 OH2 TIP3 5041 71.115 86.339 28.820 1.00 0.00 WT3 O ATOM 42299 H1 TIP3 5041 70.521 85.593 28.731 1.00 0.00 WT3 H ATOM 42300 H2 TIP3 5041 71.973 85.945 28.975 1.00 0.00 WT3 H ATOM 42301 OH2 TIP3 5043 66.016 89.465 21.189 1.00 0.00 WT3 O ATOM 42302 H1 TIP3 5043 65.434 88.931 21.729 1.00 0.00 WT3 H ATOM 42303 H2 TIP3 5043 65.968 89.068 20.319 1.00 0.00 WT3 H ATOM 42304 OH2 TIP3 5044 27.522 54.889 3.953 1.00 0.00 WT3 O ATOM 42305 H1 TIP3 5044 27.803 55.791 4.105 1.00 0.00 WT3 H ATOM 42306 H2 TIP3 5044 27.903 54.393 4.677 1.00 0.00 WT3 H ATOM 42307 OH2 TIP3 5046 72.891 82.117 1.789 1.00 0.00 WT3 O ATOM 42308 H1 TIP3 5046 72.328 82.822 2.110 1.00 0.00 WT3 H ATOM 42309 H2 TIP3 5046 72.868 82.208 0.836 1.00 0.00 WT3 H ATOM 42310 OH2 TIP3 5047 66.170 79.783 -17.094 1.00 0.00 WT3 O ATOM 42311 H1 TIP3 5047 66.161 79.844 -16.139 1.00 0.00 WT3 H ATOM 42312 H2 TIP3 5047 65.671 78.990 -17.289 1.00 0.00 WT3 H ATOM 42313 OH2 TIP3 5048 78.628 52.894 47.823 1.00 0.00 WT3 O ATOM 42314 H1 TIP3 5048 78.408 53.801 48.036 1.00 0.00 WT3 H ATOM 42315 H2 TIP3 5048 77.868 52.571 47.339 1.00 0.00 WT3 H ATOM 42316 OH2 TIP3 5049 76.842 76.510 5.006 1.00 0.00 WT3 O ATOM 42317 H1 TIP3 5049 77.466 77.236 5.024 1.00 0.00 WT3 H ATOM 42318 H2 TIP3 5049 77.189 75.912 4.344 1.00 0.00 WT3 H ATOM 42319 OH2 TIP3 5051 45.967 20.505 66.543 1.00 0.00 WT3 O ATOM 42320 H1 TIP3 5051 45.666 21.322 66.939 1.00 0.00 WT3 H ATOM 42321 H2 TIP3 5051 46.836 20.362 66.917 1.00 0.00 WT3 H ATOM 42322 OH2 TIP3 5052 85.566 68.867 12.855 1.00 0.00 WT3 O ATOM 42323 H1 TIP3 5052 85.161 68.348 12.160 1.00 0.00 WT3 H ATOM 42324 H2 TIP3 5052 86.504 68.704 12.762 1.00 0.00 WT3 H ATOM 42325 OH2 TIP3 5056 84.431 75.028 29.662 1.00 0.00 WT3 O ATOM 42326 H1 TIP3 5056 84.703 74.829 28.765 1.00 0.00 WT3 H ATOM 42327 H2 TIP3 5056 83.621 74.533 29.782 1.00 0.00 WT3 H ATOM 42328 OH2 TIP3 5058 66.178 6.016 57.957 1.00 0.00 WT3 O ATOM 42329 H1 TIP3 5058 66.151 6.953 58.152 1.00 0.00 WT3 H ATOM 42330 H2 TIP3 5058 66.861 5.929 57.292 1.00 0.00 WT3 H ATOM 42331 OH2 TIP3 5059 74.311 89.629 4.719 1.00 0.00 WT3 O ATOM 42332 H1 TIP3 5059 73.489 89.894 4.305 1.00 0.00 WT3 H ATOM 42333 H2 TIP3 5059 74.097 88.819 5.181 1.00 0.00 WT3 H ATOM 42334 OH2 TIP3 5060 25.079 31.467 51.205 1.00 0.00 WT3 O ATOM 42335 H1 TIP3 5060 24.812 32.357 51.434 1.00 0.00 WT3 H ATOM 42336 H2 TIP3 5060 24.262 31.019 50.987 1.00 0.00 WT3 H ATOM 42337 OH2 TIP3 5061 83.249 71.393 -6.501 1.00 0.00 WT3 O ATOM 42338 H1 TIP3 5061 82.766 70.716 -6.028 1.00 0.00 WT3 H ATOM 42339 H2 TIP3 5061 82.802 71.462 -7.345 1.00 0.00 WT3 H ATOM 42340 OH2 TIP3 5063 24.674 32.580 6.191 1.00 0.00 WT3 O ATOM 42341 H1 TIP3 5063 24.999 32.327 7.055 1.00 0.00 WT3 H ATOM 42342 H2 TIP3 5063 24.113 31.852 5.923 1.00 0.00 WT3 H ATOM 42343 OH2 TIP3 5066 35.825 87.378 -11.794 1.00 0.00 WT3 O ATOM 42344 H1 TIP3 5066 35.986 87.977 -11.065 1.00 0.00 WT3 H ATOM 42345 H2 TIP3 5066 36.549 86.754 -11.756 1.00 0.00 WT3 H ATOM 42346 OH2 TIP3 5074 54.653 90.399 52.247 1.00 0.00 WT3 O ATOM 42347 H1 TIP3 5074 54.085 89.653 52.056 1.00 0.00 WT3 H ATOM 42348 H2 TIP3 5074 54.347 91.090 51.659 1.00 0.00 WT3 H ATOM 42349 OH2 TIP3 5076 47.682 10.538 25.299 1.00 0.00 WT3 O ATOM 42350 H1 TIP3 5076 47.583 11.487 25.222 1.00 0.00 WT3 H ATOM 42351 H2 TIP3 5076 48.261 10.298 24.576 1.00 0.00 WT3 H ATOM 42352 OH2 TIP3 5077 23.740 0.343 19.764 1.00 0.00 WT3 O ATOM 42353 H1 TIP3 5077 24.055 0.277 20.666 1.00 0.00 WT3 H ATOM 42354 H2 TIP3 5077 22.905 0.804 19.835 1.00 0.00 WT3 H ATOM 42355 OH2 TIP3 5080 84.088 10.234 -0.898 1.00 0.00 WT3 O ATOM 42356 H1 TIP3 5080 85.033 10.368 -0.825 1.00 0.00 WT3 H ATOM 42357 H2 TIP3 5080 83.752 11.070 -1.223 1.00 0.00 WT3 H ATOM 42358 OH2 TIP3 5084 34.178 57.289 65.223 1.00 0.00 WT3 O ATOM 42359 H1 TIP3 5084 34.514 56.609 65.807 1.00 0.00 WT3 H ATOM 42360 H2 TIP3 5084 33.808 57.948 65.810 1.00 0.00 WT3 H ATOM 42361 OH2 TIP3 5085 34.966 1.845 55.350 1.00 0.00 WT3 O ATOM 42362 H1 TIP3 5085 34.099 1.953 55.739 1.00 0.00 WT3 H ATOM 42363 H2 TIP3 5085 35.280 1.008 55.690 1.00 0.00 WT3 H ATOM 42364 OH2 TIP3 5088 37.765 31.225 -16.116 1.00 0.00 WT3 O ATOM 42365 H1 TIP3 5088 37.261 30.731 -15.469 1.00 0.00 WT3 H ATOM 42366 H2 TIP3 5088 38.449 31.660 -15.606 1.00 0.00 WT3 H ATOM 42367 OH2 TIP3 5092 88.291 86.628 -14.660 1.00 0.00 WT3 O ATOM 42368 H1 TIP3 5092 87.437 86.599 -14.230 1.00 0.00 WT3 H ATOM 42369 H2 TIP3 5092 88.908 86.330 -13.991 1.00 0.00 WT3 H ATOM 42370 OH2 TIP3 5094 58.366 91.939 56.177 1.00 0.00 WT3 O ATOM 42371 H1 TIP3 5094 58.868 91.330 56.718 1.00 0.00 WT3 H ATOM 42372 H2 TIP3 5094 58.798 91.914 55.323 1.00 0.00 WT3 H ATOM 42373 OH2 TIP3 5098 29.073 81.866 28.916 1.00 0.00 WT3 O ATOM 42374 H1 TIP3 5098 29.269 82.566 29.539 1.00 0.00 WT3 H ATOM 42375 H2 TIP3 5098 28.286 81.448 29.265 1.00 0.00 WT3 H ATOM 42376 OH2 TIP3 5105 56.304 84.518 -5.376 1.00 0.00 WT3 O ATOM 42377 H1 TIP3 5105 56.269 84.511 -4.420 1.00 0.00 WT3 H ATOM 42378 H2 TIP3 5105 55.488 84.942 -5.643 1.00 0.00 WT3 H ATOM 42379 OH2 TIP3 5114 71.933 29.638 -1.160 1.00 0.00 WT3 O ATOM 42380 H1 TIP3 5114 71.412 29.273 -0.445 1.00 0.00 WT3 H ATOM 42381 H2 TIP3 5114 72.645 30.107 -0.723 1.00 0.00 WT3 H ATOM 42382 OH2 TIP3 5115 48.327 6.905 38.952 1.00 0.00 WT3 O ATOM 42383 H1 TIP3 5115 48.427 6.145 39.525 1.00 0.00 WT3 H ATOM 42384 H2 TIP3 5115 49.082 6.865 38.366 1.00 0.00 WT3 H ATOM 42385 OH2 TIP3 5116 80.802 35.441 27.896 1.00 0.00 WT3 O ATOM 42386 H1 TIP3 5116 81.696 35.768 27.993 1.00 0.00 WT3 H ATOM 42387 H2 TIP3 5116 80.326 36.163 27.484 1.00 0.00 WT3 H ATOM 42388 OH2 TIP3 5118 67.769 33.687 -9.319 1.00 0.00 WT3 O ATOM 42389 H1 TIP3 5118 67.209 34.111 -8.668 1.00 0.00 WT3 H ATOM 42390 H2 TIP3 5118 68.661 33.859 -9.017 1.00 0.00 WT3 H ATOM 42391 OH2 TIP3 5124 54.088 15.485 -7.105 1.00 0.00 WT3 O ATOM 42392 H1 TIP3 5124 54.146 15.325 -8.047 1.00 0.00 WT3 H ATOM 42393 H2 TIP3 5124 54.683 14.844 -6.716 1.00 0.00 WT3 H ATOM 42394 OH2 TIP3 5133 38.120 11.071 49.306 1.00 0.00 WT3 O ATOM 42395 H1 TIP3 5133 37.598 11.075 50.108 1.00 0.00 WT3 H ATOM 42396 H2 TIP3 5133 38.510 10.197 49.278 1.00 0.00 WT3 H ATOM 42397 OH2 TIP3 5134 40.334 60.811 7.796 1.00 0.00 WT3 O ATOM 42398 H1 TIP3 5134 40.726 61.099 8.620 1.00 0.00 WT3 H ATOM 42399 H2 TIP3 5134 40.742 59.963 7.620 1.00 0.00 WT3 H ATOM 42400 OH2 TIP3 5164 41.496 79.109 19.751 1.00 0.00 WT3 O ATOM 42401 H1 TIP3 5164 41.592 78.178 19.548 1.00 0.00 WT3 H ATOM 42402 H2 TIP3 5164 41.891 79.208 20.617 1.00 0.00 WT3 H ATOM 42403 OH2 TIP3 5166 72.205 75.106 60.996 1.00 0.00 WT3 O ATOM 42404 H1 TIP3 5166 72.205 74.794 60.091 1.00 0.00 WT3 H ATOM 42405 H2 TIP3 5166 72.986 74.711 61.385 1.00 0.00 WT3 H ATOM 42406 OH2 TIP3 5193 34.553 86.567 20.325 1.00 0.00 WT3 O ATOM 42407 H1 TIP3 5193 34.541 86.344 21.256 1.00 0.00 WT3 H ATOM 42408 H2 TIP3 5193 35.466 86.456 20.063 1.00 0.00 WT3 H ATOM 42409 OH2 TIP3 5195 42.755 53.885 6.794 1.00 0.00 WT3 O ATOM 42410 H1 TIP3 5195 42.833 52.956 7.012 1.00 0.00 WT3 H ATOM 42411 H2 TIP3 5195 43.656 54.173 6.643 1.00 0.00 WT3 H ATOM 42412 OH2 TIP3 5234 77.720 63.311 1.648 1.00 0.00 WT3 O ATOM 42413 H1 TIP3 5234 76.843 63.417 2.018 1.00 0.00 WT3 H ATOM 42414 H2 TIP3 5234 77.916 62.380 1.757 1.00 0.00 WT3 H ATOM 42415 OH2 TIP3 5251 31.787 83.704 -6.590 1.00 0.00 WT3 O ATOM 42416 H1 TIP3 5251 31.764 84.633 -6.820 1.00 0.00 WT3 H ATOM 42417 H2 TIP3 5251 31.341 83.655 -5.745 1.00 0.00 WT3 H ATOM 42418 OH2 TIP3 5252 81.718 5.048 48.265 1.00 0.00 WT3 O ATOM 42419 H1 TIP3 5252 82.345 5.286 47.582 1.00 0.00 WT3 H ATOM 42420 H2 TIP3 5252 80.877 4.994 47.810 1.00 0.00 WT3 H ATOM 42421 OH2 TIP3 5259 74.153 11.405 47.491 1.00 0.00 WT3 O ATOM 42422 H1 TIP3 5259 74.336 11.590 48.413 1.00 0.00 WT3 H ATOM 42423 H2 TIP3 5259 74.083 12.268 47.083 1.00 0.00 WT3 H ATOM 42424 OH2 TIP3 5271 89.011 16.394 5.439 1.00 0.00 WT3 O ATOM 42425 H1 TIP3 5271 89.930 16.640 5.330 1.00 0.00 WT3 H ATOM 42426 H2 TIP3 5271 88.831 16.546 6.367 1.00 0.00 WT3 H ATOM 42427 OH2 TIP3 5272 87.062 37.080 47.169 1.00 0.00 WT3 O ATOM 42428 H1 TIP3 5272 87.368 37.029 48.075 1.00 0.00 WT3 H ATOM 42429 H2 TIP3 5272 87.761 37.542 46.705 1.00 0.00 WT3 H ATOM 42430 OH2 TIP3 5284 62.891 73.695 14.809 1.00 0.00 WT3 O ATOM 42431 H1 TIP3 5284 62.014 73.313 14.769 1.00 0.00 WT3 H ATOM 42432 H2 TIP3 5284 63.436 73.097 14.297 1.00 0.00 WT3 H ATOM 42433 OH2 TIP3 5286 90.571 73.057 36.314 1.00 0.00 WT3 O ATOM 42434 H1 TIP3 5286 89.766 73.344 36.746 1.00 0.00 WT3 H ATOM 42435 H2 TIP3 5286 91.085 73.858 36.208 1.00 0.00 WT3 H ATOM 42436 OH2 TIP3 5296 74.797 54.979 46.459 1.00 0.00 WT3 O ATOM 42437 H1 TIP3 5296 75.114 54.726 45.592 1.00 0.00 WT3 H ATOM 42438 H2 TIP3 5296 74.256 55.752 46.300 1.00 0.00 WT3 H ATOM 42439 OH2 TIP3 5302 33.897 4.511 5.973 1.00 0.00 WT3 O ATOM 42440 H1 TIP3 5302 33.913 5.464 6.062 1.00 0.00 WT3 H ATOM 42441 H2 TIP3 5302 33.373 4.352 5.188 1.00 0.00 WT3 H ATOM 42442 OH2 TIP3 5304 54.887 42.543 -15.834 1.00 0.00 WT3 O ATOM 42443 H1 TIP3 5304 55.093 43.384 -16.241 1.00 0.00 WT3 H ATOM 42444 H2 TIP3 5304 55.694 42.289 -15.386 1.00 0.00 WT3 H ATOM 42445 OH2 TIP3 5306 61.907 57.200 18.976 1.00 0.00 WT3 O ATOM 42446 H1 TIP3 5306 61.860 56.252 18.852 1.00 0.00 WT3 H ATOM 42447 H2 TIP3 5306 61.015 57.456 19.212 1.00 0.00 WT3 H ATOM 42448 OH2 TIP3 5309 70.469 68.824 33.090 1.00 0.00 WT3 O ATOM 42449 H1 TIP3 5309 70.895 68.339 32.384 1.00 0.00 WT3 H ATOM 42450 H2 TIP3 5309 69.534 68.671 32.955 1.00 0.00 WT3 H ATOM 42451 OH2 TIP3 5314 55.120 80.808 55.034 1.00 0.00 WT3 O ATOM 42452 H1 TIP3 5314 55.044 81.611 54.517 1.00 0.00 WT3 H ATOM 42453 H2 TIP3 5314 54.605 80.162 54.550 1.00 0.00 WT3 H ATOM 42454 OH2 TIP3 5317 81.403 25.495 56.288 1.00 0.00 WT3 O ATOM 42455 H1 TIP3 5317 81.110 25.839 55.444 1.00 0.00 WT3 H ATOM 42456 H2 TIP3 5317 80.598 25.219 56.727 1.00 0.00 WT3 H ATOM 42457 OH2 TIP3 5318 55.274 96.172 23.868 1.00 0.00 WT3 O ATOM 42458 H1 TIP3 5318 55.688 95.481 24.385 1.00 0.00 WT3 H ATOM 42459 H2 TIP3 5318 54.445 95.792 23.578 1.00 0.00 WT3 H ATOM 42460 OH2 TIP3 5319 71.027 60.989 -0.277 1.00 0.00 WT3 O ATOM 42461 H1 TIP3 5319 70.957 60.518 -1.107 1.00 0.00 WT3 H ATOM 42462 H2 TIP3 5319 71.316 60.327 0.351 1.00 0.00 WT3 H ATOM 42463 OH2 TIP3 5320 32.292 58.951 -15.660 1.00 0.00 WT3 O ATOM 42464 H1 TIP3 5320 32.524 58.422 -14.897 1.00 0.00 WT3 H ATOM 42465 H2 TIP3 5320 32.956 59.639 -15.686 1.00 0.00 WT3 H ATOM 42466 OH2 TIP3 5323 23.170 49.344 10.942 1.00 0.00 WT3 O ATOM 42467 H1 TIP3 5323 23.566 49.319 10.072 1.00 0.00 WT3 H ATOM 42468 H2 TIP3 5323 23.150 48.429 11.223 1.00 0.00 WT3 H ATOM 42469 OH2 TIP3 5328 46.421 22.877 48.949 1.00 0.00 WT3 O ATOM 42470 H1 TIP3 5328 46.235 23.813 48.886 1.00 0.00 WT3 H ATOM 42471 H2 TIP3 5328 47.132 22.731 48.325 1.00 0.00 WT3 H ATOM 42472 OH2 TIP3 5331 73.283 58.004 41.608 1.00 0.00 WT3 O ATOM 42473 H1 TIP3 5331 72.343 58.163 41.518 1.00 0.00 WT3 H ATOM 42474 H2 TIP3 5331 73.483 58.250 42.511 1.00 0.00 WT3 H ATOM 42475 OH2 TIP3 5332 70.798 79.070 46.337 1.00 0.00 WT3 O ATOM 42476 H1 TIP3 5332 71.693 78.740 46.411 1.00 0.00 WT3 H ATOM 42477 H2 TIP3 5332 70.897 80.020 46.266 1.00 0.00 WT3 H ATOM 42478 OH2 TIP3 5334 63.471 70.254 17.426 1.00 0.00 WT3 O ATOM 42479 H1 TIP3 5334 63.315 69.693 18.186 1.00 0.00 WT3 H ATOM 42480 H2 TIP3 5334 62.968 69.847 16.721 1.00 0.00 WT3 H ATOM 42481 OH2 TIP3 5338 48.271 60.352 50.452 1.00 0.00 WT3 O ATOM 42482 H1 TIP3 5338 47.514 60.087 49.929 1.00 0.00 WT3 H ATOM 42483 H2 TIP3 5338 47.935 61.039 51.028 1.00 0.00 WT3 H ATOM 42484 OH2 TIP3 5341 25.183 86.013 47.154 1.00 0.00 WT3 O ATOM 42485 H1 TIP3 5341 25.093 86.521 46.348 1.00 0.00 WT3 H ATOM 42486 H2 TIP3 5341 25.680 86.581 47.743 1.00 0.00 WT3 H ATOM 42487 OH2 TIP3 5350 49.601 41.482 12.700 1.00 0.00 WT3 O ATOM 42488 H1 TIP3 5350 50.178 41.699 13.431 1.00 0.00 WT3 H ATOM 42489 H2 TIP3 5350 48.924 42.160 12.719 1.00 0.00 WT3 H ATOM 42490 OH2 TIP3 5351 70.029 69.423 -5.911 1.00 0.00 WT3 O ATOM 42491 H1 TIP3 5351 70.166 68.801 -5.197 1.00 0.00 WT3 H ATOM 42492 H2 TIP3 5351 69.112 69.304 -6.161 1.00 0.00 WT3 H ATOM 42493 OH2 TIP3 5354 28.756 81.794 41.755 1.00 0.00 WT3 O ATOM 42494 H1 TIP3 5354 28.977 81.422 42.609 1.00 0.00 WT3 H ATOM 42495 H2 TIP3 5354 28.153 81.161 41.366 1.00 0.00 WT3 H ATOM 42496 OH2 TIP3 5355 41.802 23.452 -2.106 1.00 0.00 WT3 O ATOM 42497 H1 TIP3 5355 42.611 23.126 -1.712 1.00 0.00 WT3 H ATOM 42498 H2 TIP3 5355 41.935 24.397 -2.182 1.00 0.00 WT3 H ATOM 42499 OH2 TIP3 5356 51.025 45.639 53.247 1.00 0.00 WT3 O ATOM 42500 H1 TIP3 5356 50.344 46.310 53.293 1.00 0.00 WT3 H ATOM 42501 H2 TIP3 5356 51.096 45.433 52.315 1.00 0.00 WT3 H ATOM 42502 OH2 TIP3 5357 33.440 71.492 10.308 1.00 0.00 WT3 O ATOM 42503 H1 TIP3 5357 33.147 71.078 11.120 1.00 0.00 WT3 H ATOM 42504 H2 TIP3 5357 34.373 71.654 10.445 1.00 0.00 WT3 H ATOM 42505 OH2 TIP3 5358 24.533 39.618 -16.129 1.00 0.00 WT3 O ATOM 42506 H1 TIP3 5358 24.596 38.680 -16.311 1.00 0.00 WT3 H ATOM 42507 H2 TIP3 5358 25.424 39.946 -16.252 1.00 0.00 WT3 H ATOM 42508 OH2 TIP3 5359 54.522 18.098 -13.353 1.00 0.00 WT3 O ATOM 42509 H1 TIP3 5359 55.158 17.706 -12.755 1.00 0.00 WT3 H ATOM 42510 H2 TIP3 5359 54.562 19.036 -13.166 1.00 0.00 WT3 H ATOM 42511 OH2 TIP3 5360 42.305 84.649 23.578 1.00 0.00 WT3 O ATOM 42512 H1 TIP3 5360 42.916 84.482 24.296 1.00 0.00 WT3 H ATOM 42513 H2 TIP3 5360 42.276 83.826 23.090 1.00 0.00 WT3 H ATOM 42514 OH2 TIP3 5363 33.333 26.337 50.490 1.00 0.00 WT3 O ATOM 42515 H1 TIP3 5363 32.763 26.694 51.170 1.00 0.00 WT3 H ATOM 42516 H2 TIP3 5363 32.733 26.027 49.811 1.00 0.00 WT3 H ATOM 42517 OH2 TIP3 5364 64.588 3.257 55.015 1.00 0.00 WT3 O ATOM 42518 H1 TIP3 5364 65.539 3.361 54.996 1.00 0.00 WT3 H ATOM 42519 H2 TIP3 5364 64.383 2.782 54.209 1.00 0.00 WT3 H ATOM 42520 OH2 TIP3 5369 56.115 62.644 -17.952 1.00 0.00 WT3 O ATOM 42521 H1 TIP3 5369 56.725 62.204 -17.359 1.00 0.00 WT3 H ATOM 42522 H2 TIP3 5369 55.804 61.950 -18.534 1.00 0.00 WT3 H ATOM 42523 OH2 TIP3 5370 87.807 85.890 3.396 1.00 0.00 WT3 O ATOM 42524 H1 TIP3 5370 88.075 85.330 2.668 1.00 0.00 WT3 H ATOM 42525 H2 TIP3 5370 87.363 85.298 4.003 1.00 0.00 WT3 H ATOM 42526 OH2 TIP3 5371 66.884 62.887 33.362 1.00 0.00 WT3 O ATOM 42527 H1 TIP3 5371 66.647 62.495 32.521 1.00 0.00 WT3 H ATOM 42528 H2 TIP3 5371 66.207 63.545 33.519 1.00 0.00 WT3 H ATOM 42529 OH2 TIP3 5372 40.864 65.012 44.403 1.00 0.00 WT3 O ATOM 42530 H1 TIP3 5372 41.770 65.057 44.096 1.00 0.00 WT3 H ATOM 42531 H2 TIP3 5372 40.580 65.925 44.445 1.00 0.00 WT3 H ATOM 42532 OH2 TIP3 5374 35.895 83.896 55.765 1.00 0.00 WT3 O ATOM 42533 H1 TIP3 5374 35.842 83.084 56.269 1.00 0.00 WT3 H ATOM 42534 H2 TIP3 5374 35.565 83.663 54.897 1.00 0.00 WT3 H ATOM 42535 OH2 TIP3 5375 34.613 54.309 -8.099 1.00 0.00 WT3 O ATOM 42536 H1 TIP3 5375 34.931 54.349 -7.197 1.00 0.00 WT3 H ATOM 42537 H2 TIP3 5375 33.702 54.599 -8.044 1.00 0.00 WT3 H ATOM 42538 OH2 TIP3 5376 37.672 9.596 25.661 1.00 0.00 WT3 O ATOM 42539 H1 TIP3 5376 38.103 10.101 24.971 1.00 0.00 WT3 H ATOM 42540 H2 TIP3 5376 38.390 9.180 26.138 1.00 0.00 WT3 H ATOM 42541 OH2 TIP3 5377 39.453 71.319 59.614 1.00 0.00 WT3 O ATOM 42542 H1 TIP3 5377 39.615 71.321 60.558 1.00 0.00 WT3 H ATOM 42543 H2 TIP3 5377 39.687 72.202 59.328 1.00 0.00 WT3 H ATOM 42544 OH2 TIP3 5378 41.682 58.566 4.489 1.00 0.00 WT3 O ATOM 42545 H1 TIP3 5378 42.060 57.973 5.139 1.00 0.00 WT3 H ATOM 42546 H2 TIP3 5378 42.416 59.111 4.206 1.00 0.00 WT3 H ATOM 42547 OH2 TIP3 5379 79.549 72.281 -11.469 1.00 0.00 WT3 O ATOM 42548 H1 TIP3 5379 80.209 72.918 -11.744 1.00 0.00 WT3 H ATOM 42549 H2 TIP3 5379 79.673 72.202 -10.523 1.00 0.00 WT3 H ATOM 42550 OH2 TIP3 5380 49.786 79.797 -4.023 1.00 0.00 WT3 O ATOM 42551 H1 TIP3 5380 50.124 80.537 -3.517 1.00 0.00 WT3 H ATOM 42552 H2 TIP3 5380 50.424 79.098 -3.879 1.00 0.00 WT3 H ATOM 42553 OH2 TIP3 5381 45.228 45.263 -9.770 1.00 0.00 WT3 O ATOM 42554 H1 TIP3 5381 45.106 45.766 -10.576 1.00 0.00 WT3 H ATOM 42555 H2 TIP3 5381 45.066 45.892 -9.067 1.00 0.00 WT3 H ATOM 42556 OH2 TIP3 5382 70.165 7.816 62.645 1.00 0.00 WT3 O ATOM 42557 H1 TIP3 5382 70.015 6.952 62.260 1.00 0.00 WT3 H ATOM 42558 H2 TIP3 5382 71.082 7.801 62.918 1.00 0.00 WT3 H ATOM 42559 OH2 TIP3 5383 45.888 53.435 8.395 1.00 0.00 WT3 O ATOM 42560 H1 TIP3 5383 46.578 53.463 7.731 1.00 0.00 WT3 H ATOM 42561 H2 TIP3 5383 46.344 53.208 9.205 1.00 0.00 WT3 H ATOM 42562 OH2 TIP3 5384 70.205 60.427 -10.806 1.00 0.00 WT3 O ATOM 42563 H1 TIP3 5384 69.571 59.745 -11.028 1.00 0.00 WT3 H ATOM 42564 H2 TIP3 5384 70.942 59.953 -10.421 1.00 0.00 WT3 H ATOM 42565 OH2 TIP3 5385 29.474 54.967 54.863 1.00 0.00 WT3 O ATOM 42566 H1 TIP3 5385 29.878 54.184 54.490 1.00 0.00 WT3 H ATOM 42567 H2 TIP3 5385 28.869 54.633 55.525 1.00 0.00 WT3 H ATOM 42568 OH2 TIP3 5388 57.005 81.023 49.655 1.00 0.00 WT3 O ATOM 42569 H1 TIP3 5388 56.390 80.547 49.096 1.00 0.00 WT3 H ATOM 42570 H2 TIP3 5388 56.479 81.717 50.052 1.00 0.00 WT3 H ATOM 42571 OH2 TIP3 5389 39.415 55.270 32.372 1.00 0.00 WT3 O ATOM 42572 H1 TIP3 5389 38.658 54.882 31.934 1.00 0.00 WT3 H ATOM 42573 H2 TIP3 5389 39.490 56.145 31.991 1.00 0.00 WT3 H ATOM 42574 OH2 TIP3 5390 32.049 68.334 58.730 1.00 0.00 WT3 O ATOM 42575 H1 TIP3 5390 31.522 68.969 59.214 1.00 0.00 WT3 H ATOM 42576 H2 TIP3 5390 31.829 67.490 59.124 1.00 0.00 WT3 H ATOM 42577 OH2 TIP3 5392 84.728 15.259 41.797 1.00 0.00 WT3 O ATOM 42578 H1 TIP3 5392 85.643 15.387 41.547 1.00 0.00 WT3 H ATOM 42579 H2 TIP3 5392 84.414 16.136 42.015 1.00 0.00 WT3 H ATOM 42580 OH2 TIP3 5393 84.801 7.149 -14.315 1.00 0.00 WT3 O ATOM 42581 H1 TIP3 5393 85.620 7.506 -14.658 1.00 0.00 WT3 H ATOM 42582 H2 TIP3 5393 84.726 7.521 -13.436 1.00 0.00 WT3 H ATOM 42583 OH2 TIP3 5394 57.064 79.760 -5.432 1.00 0.00 WT3 O ATOM 42584 H1 TIP3 5394 58.018 79.806 -5.374 1.00 0.00 WT3 H ATOM 42585 H2 TIP3 5394 56.774 79.652 -4.526 1.00 0.00 WT3 H ATOM 42586 OH2 TIP3 5396 75.961 1.793 1.767 1.00 0.00 WT3 O ATOM 42587 H1 TIP3 5396 75.033 1.615 1.916 1.00 0.00 WT3 H ATOM 42588 H2 TIP3 5396 76.305 2.016 2.632 1.00 0.00 WT3 H ATOM 42589 OH2 TIP3 5397 55.236 46.583 56.736 1.00 0.00 WT3 O ATOM 42590 H1 TIP3 5397 54.883 46.808 57.597 1.00 0.00 WT3 H ATOM 42591 H2 TIP3 5397 55.979 47.176 56.619 1.00 0.00 WT3 H ATOM 42592 OH2 TIP3 5398 35.282 84.022 -9.004 1.00 0.00 WT3 O ATOM 42593 H1 TIP3 5398 35.087 84.071 -9.940 1.00 0.00 WT3 H ATOM 42594 H2 TIP3 5398 34.861 83.213 -8.713 1.00 0.00 WT3 H ATOM 42595 OH2 TIP3 5399 31.161 0.740 53.856 1.00 0.00 WT3 O ATOM 42596 H1 TIP3 5399 31.731 1.044 54.563 1.00 0.00 WT3 H ATOM 42597 H2 TIP3 5399 31.709 0.143 53.347 1.00 0.00 WT3 H ATOM 42598 OH2 TIP3 5400 24.462 18.270 -3.526 1.00 0.00 WT3 O ATOM 42599 H1 TIP3 5400 24.827 17.446 -3.848 1.00 0.00 WT3 H ATOM 42600 H2 TIP3 5400 25.225 18.792 -3.279 1.00 0.00 WT3 H ATOM 42601 OH2 TIP3 5401 60.224 81.819 31.268 1.00 0.00 WT3 O ATOM 42602 H1 TIP3 5401 59.486 81.497 31.785 1.00 0.00 WT3 H ATOM 42603 H2 TIP3 5401 60.929 81.195 31.442 1.00 0.00 WT3 H ATOM 42604 OH2 TIP3 5402 82.740 56.631 -18.396 1.00 0.00 WT3 O ATOM 42605 H1 TIP3 5402 82.561 55.981 -17.716 1.00 0.00 WT3 H ATOM 42606 H2 TIP3 5402 83.625 56.426 -18.697 1.00 0.00 WT3 H ATOM 42607 OH2 TIP3 5404 46.173 87.472 11.897 1.00 0.00 WT3 O ATOM 42608 H1 TIP3 5404 45.332 87.771 12.242 1.00 0.00 WT3 H ATOM 42609 H2 TIP3 5404 46.419 86.741 12.464 1.00 0.00 WT3 H ATOM 42610 OH2 TIP3 5408 82.278 72.735 4.532 1.00 0.00 WT3 O ATOM 42611 H1 TIP3 5408 81.374 72.717 4.846 1.00 0.00 WT3 H ATOM 42612 H2 TIP3 5408 82.788 72.354 5.247 1.00 0.00 WT3 H ATOM 42613 OH2 TIP3 5409 34.557 14.098 53.879 1.00 0.00 WT3 O ATOM 42614 H1 TIP3 5409 33.847 14.180 53.242 1.00 0.00 WT3 H ATOM 42615 H2 TIP3 5409 34.617 14.963 54.284 1.00 0.00 WT3 H ATOM 42616 OH2 TIP3 5413 63.422 19.722 26.485 1.00 0.00 WT3 O ATOM 42617 H1 TIP3 5413 62.566 20.062 26.743 1.00 0.00 WT3 H ATOM 42618 H2 TIP3 5413 63.261 19.271 25.656 1.00 0.00 WT3 H ATOM 42619 OH2 TIP3 5414 21.017 76.385 1.575 1.00 0.00 WT3 O ATOM 42620 H1 TIP3 5414 20.927 75.434 1.629 1.00 0.00 WT3 H ATOM 42621 H2 TIP3 5414 21.955 76.544 1.689 1.00 0.00 WT3 H ATOM 42622 OH2 TIP3 5417 60.245 63.103 51.084 1.00 0.00 WT3 O ATOM 42623 H1 TIP3 5417 60.352 62.314 50.552 1.00 0.00 WT3 H ATOM 42624 H2 TIP3 5417 59.306 63.287 51.053 1.00 0.00 WT3 H ATOM 42625 OH2 TIP3 5418 46.767 0.732 28.575 1.00 0.00 WT3 O ATOM 42626 H1 TIP3 5418 46.500 0.533 27.678 1.00 0.00 WT3 H ATOM 42627 H2 TIP3 5418 46.902 -0.124 28.980 1.00 0.00 WT3 H ATOM 42628 OH2 TIP3 5419 36.290 47.782 49.146 1.00 0.00 WT3 O ATOM 42629 H1 TIP3 5419 35.859 48.260 48.437 1.00 0.00 WT3 H ATOM 42630 H2 TIP3 5419 37.120 48.240 49.274 1.00 0.00 WT3 H ATOM 42631 OH2 TIP3 5420 44.625 3.185 -15.997 1.00 0.00 WT3 O ATOM 42632 H1 TIP3 5420 45.190 2.745 -15.362 1.00 0.00 WT3 H ATOM 42633 H2 TIP3 5420 44.779 4.118 -15.850 1.00 0.00 WT3 H ATOM 42634 OH2 TIP3 5421 45.827 87.086 55.981 1.00 0.00 WT3 O ATOM 42635 H1 TIP3 5421 44.967 86.779 55.695 1.00 0.00 WT3 H ATOM 42636 H2 TIP3 5421 45.846 86.905 56.921 1.00 0.00 WT3 H ATOM 42637 OH2 TIP3 5422 32.401 56.899 9.756 1.00 0.00 WT3 O ATOM 42638 H1 TIP3 5422 32.741 57.786 9.881 1.00 0.00 WT3 H ATOM 42639 H2 TIP3 5422 32.850 56.579 8.974 1.00 0.00 WT3 H ATOM 42640 OH2 TIP3 5423 70.402 78.193 -14.190 1.00 0.00 WT3 O ATOM 42641 H1 TIP3 5423 71.058 77.861 -14.802 1.00 0.00 WT3 H ATOM 42642 H2 TIP3 5423 70.447 79.145 -14.281 1.00 0.00 WT3 H ATOM 42643 OH2 TIP3 5424 69.105 86.070 11.304 1.00 0.00 WT3 O ATOM 42644 H1 TIP3 5424 69.435 86.968 11.278 1.00 0.00 WT3 H ATOM 42645 H2 TIP3 5424 68.704 85.937 10.445 1.00 0.00 WT3 H ATOM 42646 OH2 TIP3 5426 30.221 81.394 -3.593 1.00 0.00 WT3 O ATOM 42647 H1 TIP3 5426 29.271 81.279 -3.580 1.00 0.00 WT3 H ATOM 42648 H2 TIP3 5426 30.565 80.532 -3.828 1.00 0.00 WT3 H ATOM 42649 OH2 TIP3 5427 46.538 24.157 57.670 1.00 0.00 WT3 O ATOM 42650 H1 TIP3 5427 46.049 24.895 58.034 1.00 0.00 WT3 H ATOM 42651 H2 TIP3 5427 46.345 24.180 56.733 1.00 0.00 WT3 H ATOM 42652 OH2 TIP3 5428 63.017 69.482 40.426 1.00 0.00 WT3 O ATOM 42653 H1 TIP3 5428 63.588 70.197 40.145 1.00 0.00 WT3 H ATOM 42654 H2 TIP3 5428 63.251 68.750 39.856 1.00 0.00 WT3 H ATOM 42655 OH2 TIP3 5429 79.650 63.644 26.270 1.00 0.00 WT3 O ATOM 42656 H1 TIP3 5429 78.729 63.869 26.402 1.00 0.00 WT3 H ATOM 42657 H2 TIP3 5429 79.810 63.820 25.343 1.00 0.00 WT3 H ATOM 42658 OH2 TIP3 5430 65.636 58.220 -16.883 1.00 0.00 WT3 O ATOM 42659 H1 TIP3 5430 65.120 57.808 -17.576 1.00 0.00 WT3 H ATOM 42660 H2 TIP3 5430 65.004 58.748 -16.395 1.00 0.00 WT3 H ATOM 42661 OH2 TIP3 5432 64.822 90.954 24.890 1.00 0.00 WT3 O ATOM 42662 H1 TIP3 5432 64.627 91.454 25.682 1.00 0.00 WT3 H ATOM 42663 H2 TIP3 5432 65.510 90.344 25.154 1.00 0.00 WT3 H ATOM 42664 OH2 TIP3 5434 63.070 31.528 62.862 1.00 0.00 WT3 O ATOM 42665 H1 TIP3 5434 63.545 32.351 62.980 1.00 0.00 WT3 H ATOM 42666 H2 TIP3 5434 62.524 31.452 63.645 1.00 0.00 WT3 H ATOM 42667 OH2 TIP3 5436 72.792 18.852 3.513 1.00 0.00 WT3 O ATOM 42668 H1 TIP3 5436 72.203 18.168 3.196 1.00 0.00 WT3 H ATOM 42669 H2 TIP3 5436 73.012 18.585 4.406 1.00 0.00 WT3 H ATOM 42670 OH2 TIP3 5437 26.929 79.897 34.917 1.00 0.00 WT3 O ATOM 42671 H1 TIP3 5437 26.083 79.931 35.362 1.00 0.00 WT3 H ATOM 42672 H2 TIP3 5437 27.316 80.759 35.071 1.00 0.00 WT3 H ATOM 42673 OH2 TIP3 5438 64.607 93.399 23.637 1.00 0.00 WT3 O ATOM 42674 H1 TIP3 5438 63.722 93.476 23.993 1.00 0.00 WT3 H ATOM 42675 H2 TIP3 5438 64.805 92.463 23.687 1.00 0.00 WT3 H ATOM 42676 OH2 TIP3 5440 60.921 55.362 -14.772 1.00 0.00 WT3 O ATOM 42677 H1 TIP3 5440 61.851 55.467 -14.572 1.00 0.00 WT3 H ATOM 42678 H2 TIP3 5440 60.593 54.775 -14.090 1.00 0.00 WT3 H ATOM 42679 OH2 TIP3 5441 83.678 66.589 37.351 1.00 0.00 WT3 O ATOM 42680 H1 TIP3 5441 84.632 66.556 37.281 1.00 0.00 WT3 H ATOM 42681 H2 TIP3 5441 83.415 67.269 36.731 1.00 0.00 WT3 H ATOM 42682 OH2 TIP3 5442 52.350 74.551 47.021 1.00 0.00 WT3 O ATOM 42683 H1 TIP3 5442 53.114 74.357 47.565 1.00 0.00 WT3 H ATOM 42684 H2 TIP3 5442 51.686 73.925 47.308 1.00 0.00 WT3 H ATOM 42685 OH2 TIP3 5443 72.894 47.999 45.955 1.00 0.00 WT3 O ATOM 42686 H1 TIP3 5443 73.419 47.212 45.807 1.00 0.00 WT3 H ATOM 42687 H2 TIP3 5443 72.616 47.934 46.868 1.00 0.00 WT3 H ATOM 42688 OH2 TIP3 5444 36.353 14.075 -9.159 1.00 0.00 WT3 O ATOM 42689 H1 TIP3 5444 36.128 13.318 -8.618 1.00 0.00 WT3 H ATOM 42690 H2 TIP3 5444 35.718 14.746 -8.908 1.00 0.00 WT3 H ATOM 42691 OH2 TIP3 5446 72.751 84.097 19.915 1.00 0.00 WT3 O ATOM 42692 H1 TIP3 5446 73.334 83.740 19.245 1.00 0.00 WT3 H ATOM 42693 H2 TIP3 5446 71.874 84.013 19.540 1.00 0.00 WT3 H ATOM 42694 OH2 TIP3 5447 86.228 58.505 -9.391 1.00 0.00 WT3 O ATOM 42695 H1 TIP3 5447 86.869 57.917 -8.991 1.00 0.00 WT3 H ATOM 42696 H2 TIP3 5447 85.967 59.094 -8.683 1.00 0.00 WT3 H ATOM 42697 OH2 TIP3 5448 54.451 9.742 -9.064 1.00 0.00 WT3 O ATOM 42698 H1 TIP3 5448 53.564 9.604 -8.730 1.00 0.00 WT3 H ATOM 42699 H2 TIP3 5448 54.328 9.957 -9.988 1.00 0.00 WT3 H ATOM 42700 OH2 TIP3 5449 85.357 76.051 38.666 1.00 0.00 WT3 O ATOM 42701 H1 TIP3 5449 86.058 75.558 38.240 1.00 0.00 WT3 H ATOM 42702 H2 TIP3 5449 85.238 76.825 38.116 1.00 0.00 WT3 H ATOM 42703 OH2 TIP3 5450 83.905 45.891 22.892 1.00 0.00 WT3 O ATOM 42704 H1 TIP3 5450 83.966 46.175 23.804 1.00 0.00 WT3 H ATOM 42705 H2 TIP3 5450 83.987 46.698 22.384 1.00 0.00 WT3 H ATOM 42706 OH2 TIP3 5451 71.877 25.063 57.306 1.00 0.00 WT3 O ATOM 42707 H1 TIP3 5451 72.827 25.167 57.243 1.00 0.00 WT3 H ATOM 42708 H2 TIP3 5451 71.529 25.940 57.149 1.00 0.00 WT3 H ATOM 42709 OH2 TIP3 5452 61.317 41.003 67.226 1.00 0.00 WT3 O ATOM 42710 H1 TIP3 5452 61.708 41.877 67.207 1.00 0.00 WT3 H ATOM 42711 H2 TIP3 5452 61.219 40.764 66.304 1.00 0.00 WT3 H ATOM 42712 OH2 TIP3 5453 60.621 70.345 64.935 1.00 0.00 WT3 O ATOM 42713 H1 TIP3 5453 61.099 71.065 65.348 1.00 0.00 WT3 H ATOM 42714 H2 TIP3 5453 59.703 70.510 65.152 1.00 0.00 WT3 H ATOM 42715 OH2 TIP3 5455 32.996 67.567 -16.099 1.00 0.00 WT3 O ATOM 42716 H1 TIP3 5455 32.299 67.932 -16.644 1.00 0.00 WT3 H ATOM 42717 H2 TIP3 5455 32.566 66.880 -15.589 1.00 0.00 WT3 H ATOM 42718 OH2 TIP3 5456 47.669 18.309 2.993 1.00 0.00 WT3 O ATOM 42719 H1 TIP3 5456 46.936 17.706 3.116 1.00 0.00 WT3 H ATOM 42720 H2 TIP3 5456 47.311 19.170 3.208 1.00 0.00 WT3 H ATOM 42721 OH2 TIP3 5457 82.219 37.856 37.790 1.00 0.00 WT3 O ATOM 42722 H1 TIP3 5457 83.107 37.947 37.443 1.00 0.00 WT3 H ATOM 42723 H2 TIP3 5457 81.972 36.954 37.586 1.00 0.00 WT3 H ATOM 42724 OH2 TIP3 5458 62.873 44.587 53.014 1.00 0.00 WT3 O ATOM 42725 H1 TIP3 5458 63.035 44.685 52.076 1.00 0.00 WT3 H ATOM 42726 H2 TIP3 5458 63.312 43.770 53.250 1.00 0.00 WT3 H ATOM 42727 OH2 TIP3 5459 66.286 71.843 65.738 1.00 0.00 WT3 O ATOM 42728 H1 TIP3 5459 65.667 72.572 65.708 1.00 0.00 WT3 H ATOM 42729 H2 TIP3 5459 65.738 71.060 65.698 1.00 0.00 WT3 H ATOM 42730 OH2 TIP3 5460 61.256 75.191 -0.026 1.00 0.00 WT3 O ATOM 42731 H1 TIP3 5460 61.072 75.646 0.796 1.00 0.00 WT3 H ATOM 42732 H2 TIP3 5460 60.405 75.129 -0.461 1.00 0.00 WT3 H ATOM 42733 OH2 TIP3 5461 34.732 66.151 -18.748 1.00 0.00 WT3 O ATOM 42734 H1 TIP3 5461 35.279 66.451 -18.021 1.00 0.00 WT3 H ATOM 42735 H2 TIP3 5461 33.835 66.279 -18.440 1.00 0.00 WT3 H ATOM 42736 OH2 TIP3 5462 52.436 16.593 44.861 1.00 0.00 WT3 O ATOM 42737 H1 TIP3 5462 52.772 16.665 43.968 1.00 0.00 WT3 H ATOM 42738 H2 TIP3 5462 53.073 16.039 45.313 1.00 0.00 WT3 H ATOM 42739 OH2 TIP3 5463 71.080 70.651 18.347 1.00 0.00 WT3 O ATOM 42740 H1 TIP3 5463 71.475 71.338 17.809 1.00 0.00 WT3 H ATOM 42741 H2 TIP3 5463 70.197 70.547 17.992 1.00 0.00 WT3 H ATOM 42742 OH2 TIP3 5464 84.328 82.455 15.223 1.00 0.00 WT3 O ATOM 42743 H1 TIP3 5464 84.931 83.096 15.601 1.00 0.00 WT3 H ATOM 42744 H2 TIP3 5464 83.717 82.253 15.932 1.00 0.00 WT3 H ATOM 42745 OH2 TIP3 5465 50.984 27.643 40.611 1.00 0.00 WT3 O ATOM 42746 H1 TIP3 5465 50.263 27.015 40.579 1.00 0.00 WT3 H ATOM 42747 H2 TIP3 5465 50.638 28.427 40.185 1.00 0.00 WT3 H ATOM 42748 OH2 TIP3 5466 28.256 28.570 28.525 1.00 0.00 WT3 O ATOM 42749 H1 TIP3 5466 28.755 28.217 27.789 1.00 0.00 WT3 H ATOM 42750 H2 TIP3 5466 28.904 28.693 29.219 1.00 0.00 WT3 H ATOM 42751 OH2 TIP3 5469 81.679 39.648 -14.230 1.00 0.00 WT3 O ATOM 42752 H1 TIP3 5469 81.770 39.257 -13.360 1.00 0.00 WT3 H ATOM 42753 H2 TIP3 5469 80.755 39.891 -14.288 1.00 0.00 WT3 H ATOM 42754 OH2 TIP3 5470 62.073 75.865 -18.052 1.00 0.00 WT3 O ATOM 42755 H1 TIP3 5470 61.472 76.280 -17.434 1.00 0.00 WT3 H ATOM 42756 H2 TIP3 5470 61.556 75.169 -18.458 1.00 0.00 WT3 H ATOM 42757 OH2 TIP3 5471 50.026 76.055 52.457 1.00 0.00 WT3 O ATOM 42758 H1 TIP3 5471 49.824 76.962 52.685 1.00 0.00 WT3 H ATOM 42759 H2 TIP3 5471 50.393 75.681 53.258 1.00 0.00 WT3 H ATOM 42760 OH2 TIP3 5472 59.330 2.902 0.028 1.00 0.00 WT3 O ATOM 42761 H1 TIP3 5472 60.176 2.461 -0.048 1.00 0.00 WT3 H ATOM 42762 H2 TIP3 5472 59.212 3.035 0.969 1.00 0.00 WT3 H ATOM 42763 OH2 TIP3 5473 55.245 87.053 25.072 1.00 0.00 WT3 O ATOM 42764 H1 TIP3 5473 54.691 87.744 24.708 1.00 0.00 WT3 H ATOM 42765 H2 TIP3 5473 55.072 87.077 26.013 1.00 0.00 WT3 H ATOM 42766 OH2 TIP3 5474 60.766 3.504 -11.955 1.00 0.00 WT3 O ATOM 42767 H1 TIP3 5474 60.147 2.817 -12.202 1.00 0.00 WT3 H ATOM 42768 H2 TIP3 5474 61.394 3.066 -11.380 1.00 0.00 WT3 H ATOM 42769 OH2 TIP3 5476 42.424 89.144 3.319 1.00 0.00 WT3 O ATOM 42770 H1 TIP3 5476 41.836 89.100 4.073 1.00 0.00 WT3 H ATOM 42771 H2 TIP3 5476 43.141 88.549 3.539 1.00 0.00 WT3 H ATOM 42772 OH2 TIP3 5477 50.722 67.823 47.876 1.00 0.00 WT3 O ATOM 42773 H1 TIP3 5477 51.246 67.035 47.733 1.00 0.00 WT3 H ATOM 42774 H2 TIP3 5477 50.225 67.640 48.674 1.00 0.00 WT3 H ATOM 42775 OH2 TIP3 5478 62.860 67.489 38.478 1.00 0.00 WT3 O ATOM 42776 H1 TIP3 5478 62.235 66.765 38.521 1.00 0.00 WT3 H ATOM 42777 H2 TIP3 5478 62.688 67.903 37.632 1.00 0.00 WT3 H ATOM 42778 OH2 TIP3 5479 89.037 59.708 -15.934 1.00 0.00 WT3 O ATOM 42779 H1 TIP3 5479 88.091 59.580 -16.012 1.00 0.00 WT3 H ATOM 42780 H2 TIP3 5479 89.212 60.510 -16.426 1.00 0.00 WT3 H ATOM 42781 OH2 TIP3 5480 67.235 70.328 29.309 1.00 0.00 WT3 O ATOM 42782 H1 TIP3 5480 67.626 69.732 28.670 1.00 0.00 WT3 H ATOM 42783 H2 TIP3 5480 66.307 70.353 29.076 1.00 0.00 WT3 H ATOM 42784 OH2 TIP3 5481 60.229 80.870 38.651 1.00 0.00 WT3 O ATOM 42785 H1 TIP3 5481 60.520 80.577 37.788 1.00 0.00 WT3 H ATOM 42786 H2 TIP3 5481 60.977 81.351 39.006 1.00 0.00 WT3 H ATOM 42787 OH2 TIP3 5482 63.784 25.976 60.798 1.00 0.00 WT3 O ATOM 42788 H1 TIP3 5482 64.174 26.155 59.942 1.00 0.00 WT3 H ATOM 42789 H2 TIP3 5482 62.863 25.797 60.609 1.00 0.00 WT3 H ATOM 42790 OH2 TIP3 5484 23.969 82.069 35.871 1.00 0.00 WT3 O ATOM 42791 H1 TIP3 5484 23.422 81.290 35.772 1.00 0.00 WT3 H ATOM 42792 H2 TIP3 5484 24.471 82.115 35.058 1.00 0.00 WT3 H ATOM 42793 OH2 TIP3 5485 88.324 76.171 -2.298 1.00 0.00 WT3 O ATOM 42794 H1 TIP3 5485 87.435 76.465 -2.099 1.00 0.00 WT3 H ATOM 42795 H2 TIP3 5485 88.252 75.219 -2.367 1.00 0.00 WT3 H ATOM 42796 OH2 TIP3 5487 73.969 32.154 31.247 1.00 0.00 WT3 O ATOM 42797 H1 TIP3 5487 74.748 31.610 31.124 1.00 0.00 WT3 H ATOM 42798 H2 TIP3 5487 74.120 32.603 32.079 1.00 0.00 WT3 H ATOM 42799 OH2 TIP3 5489 72.737 31.183 57.144 1.00 0.00 WT3 O ATOM 42800 H1 TIP3 5489 73.468 31.790 57.026 1.00 0.00 WT3 H ATOM 42801 H2 TIP3 5489 72.373 31.074 56.265 1.00 0.00 WT3 H ATOM 42802 OH2 TIP3 5490 34.425 12.179 36.806 1.00 0.00 WT3 O ATOM 42803 H1 TIP3 5490 33.708 12.612 36.343 1.00 0.00 WT3 H ATOM 42804 H2 TIP3 5490 34.911 12.894 37.218 1.00 0.00 WT3 H ATOM 42805 OH2 TIP3 5491 75.963 1.855 -5.990 1.00 0.00 WT3 O ATOM 42806 H1 TIP3 5491 76.516 2.630 -5.892 1.00 0.00 WT3 H ATOM 42807 H2 TIP3 5491 75.823 1.545 -5.095 1.00 0.00 WT3 H ATOM 42808 OH2 TIP3 5492 42.591 51.421 63.037 1.00 0.00 WT3 O ATOM 42809 H1 TIP3 5492 42.812 52.015 63.754 1.00 0.00 WT3 H ATOM 42810 H2 TIP3 5492 41.907 51.879 62.548 1.00 0.00 WT3 H ATOM 42811 OH2 TIP3 5493 72.069 53.414 4.662 1.00 0.00 WT3 O ATOM 42812 H1 TIP3 5493 72.075 52.505 4.361 1.00 0.00 WT3 H ATOM 42813 H2 TIP3 5493 71.357 53.451 5.300 1.00 0.00 WT3 H ATOM 42814 OH2 TIP3 5494 86.763 85.875 9.265 1.00 0.00 WT3 O ATOM 42815 H1 TIP3 5494 86.166 86.119 9.972 1.00 0.00 WT3 H ATOM 42816 H2 TIP3 5494 87.484 86.501 9.333 1.00 0.00 WT3 H ATOM 42817 OH2 TIP3 5496 51.457 86.392 17.465 1.00 0.00 WT3 O ATOM 42818 H1 TIP3 5496 50.811 86.246 18.156 1.00 0.00 WT3 H ATOM 42819 H2 TIP3 5496 52.226 85.896 17.746 1.00 0.00 WT3 H ATOM 42820 OH2 TIP3 5497 85.402 2.509 -12.180 1.00 0.00 WT3 O ATOM 42821 H1 TIP3 5497 85.402 1.981 -12.978 1.00 0.00 WT3 H ATOM 42822 H2 TIP3 5497 84.929 1.978 -11.540 1.00 0.00 WT3 H ATOM 42823 OH2 TIP3 5498 56.959 21.916 26.673 1.00 0.00 WT3 O ATOM 42824 H1 TIP3 5498 57.272 22.601 26.083 1.00 0.00 WT3 H ATOM 42825 H2 TIP3 5498 56.005 21.973 26.621 1.00 0.00 WT3 H ATOM 42826 OH2 TIP3 5503 50.360 17.080 -5.459 1.00 0.00 WT3 O ATOM 42827 H1 TIP3 5503 49.985 17.806 -4.960 1.00 0.00 WT3 H ATOM 42828 H2 TIP3 5503 49.862 16.312 -5.176 1.00 0.00 WT3 H ATOM 42829 OH2 TIP3 5504 65.903 77.753 11.611 1.00 0.00 WT3 O ATOM 42830 H1 TIP3 5504 65.376 77.705 10.813 1.00 0.00 WT3 H ATOM 42831 H2 TIP3 5504 65.268 77.924 12.307 1.00 0.00 WT3 H ATOM 42832 OH2 TIP3 5505 29.487 4.549 35.280 1.00 0.00 WT3 O ATOM 42833 H1 TIP3 5505 30.115 4.915 34.658 1.00 0.00 WT3 H ATOM 42834 H2 TIP3 5505 29.699 3.617 35.315 1.00 0.00 WT3 H ATOM 42835 OH2 TIP3 5513 84.124 36.015 52.300 1.00 0.00 WT3 O ATOM 42836 H1 TIP3 5513 84.837 35.400 52.131 1.00 0.00 WT3 H ATOM 42837 H2 TIP3 5513 84.560 36.801 52.631 1.00 0.00 WT3 H ATOM 42838 OH2 TIP3 5514 78.617 3.184 48.088 1.00 0.00 WT3 O ATOM 42839 H1 TIP3 5514 79.172 3.071 48.860 1.00 0.00 WT3 H ATOM 42840 H2 TIP3 5514 79.174 3.639 47.457 1.00 0.00 WT3 H ATOM 42841 OH2 TIP3 5517 37.773 79.434 37.402 1.00 0.00 WT3 O ATOM 42842 H1 TIP3 5517 37.071 79.868 36.918 1.00 0.00 WT3 H ATOM 42843 H2 TIP3 5517 38.369 79.113 36.724 1.00 0.00 WT3 H ATOM 42844 OH2 TIP3 5518 34.777 39.161 50.717 1.00 0.00 WT3 O ATOM 42845 H1 TIP3 5518 34.796 38.542 49.987 1.00 0.00 WT3 H ATOM 42846 H2 TIP3 5518 34.241 39.888 50.401 1.00 0.00 WT3 H ATOM 42847 OH2 TIP3 5519 30.566 22.926 -7.840 1.00 0.00 WT3 O ATOM 42848 H1 TIP3 5519 31.092 23.352 -8.517 1.00 0.00 WT3 H ATOM 42849 H2 TIP3 5519 29.941 23.596 -7.565 1.00 0.00 WT3 H ATOM 42850 OH2 TIP3 5520 76.260 84.943 66.918 1.00 0.00 WT3 O ATOM 42851 H1 TIP3 5520 76.859 84.331 67.344 1.00 0.00 WT3 H ATOM 42852 H2 TIP3 5520 76.708 85.787 66.960 1.00 0.00 WT3 H ATOM 42853 OH2 TIP3 5523 72.349 55.982 61.828 1.00 0.00 WT3 O ATOM 42854 H1 TIP3 5523 71.925 55.429 62.485 1.00 0.00 WT3 H ATOM 42855 H2 TIP3 5523 71.938 56.839 61.935 1.00 0.00 WT3 H ATOM 42856 OH2 TIP3 5526 31.112 58.089 22.617 1.00 0.00 WT3 O ATOM 42857 H1 TIP3 5526 31.429 58.938 22.923 1.00 0.00 WT3 H ATOM 42858 H2 TIP3 5526 31.887 57.528 22.618 1.00 0.00 WT3 H ATOM 42859 OH2 TIP3 5528 83.728 71.436 8.125 1.00 0.00 WT3 O ATOM 42860 H1 TIP3 5528 83.331 70.595 8.352 1.00 0.00 WT3 H ATOM 42861 H2 TIP3 5528 84.065 71.310 7.238 1.00 0.00 WT3 H ATOM 42862 OH2 TIP3 5529 76.668 38.898 18.824 1.00 0.00 WT3 O ATOM 42863 H1 TIP3 5529 77.154 39.379 18.153 1.00 0.00 WT3 H ATOM 42864 H2 TIP3 5529 75.755 38.954 18.545 1.00 0.00 WT3 H ATOM 42865 OH2 TIP3 5537 78.958 22.257 53.060 1.00 0.00 WT3 O ATOM 42866 H1 TIP3 5537 79.038 21.731 52.264 1.00 0.00 WT3 H ATOM 42867 H2 TIP3 5537 79.117 23.156 52.770 1.00 0.00 WT3 H ATOM 42868 OH2 TIP3 5538 85.279 64.632 -2.488 1.00 0.00 WT3 O ATOM 42869 H1 TIP3 5538 84.652 65.346 -2.607 1.00 0.00 WT3 H ATOM 42870 H2 TIP3 5538 85.420 64.287 -3.369 1.00 0.00 WT3 H ATOM 42871 OH2 TIP3 5544 77.169 9.330 49.489 1.00 0.00 WT3 O ATOM 42872 H1 TIP3 5544 77.059 10.079 50.074 1.00 0.00 WT3 H ATOM 42873 H2 TIP3 5544 77.261 9.716 48.619 1.00 0.00 WT3 H ATOM 42874 OH2 TIP3 5553 83.342 92.119 51.512 1.00 0.00 WT3 O ATOM 42875 H1 TIP3 5553 82.787 92.847 51.234 1.00 0.00 WT3 H ATOM 42876 H2 TIP3 5553 83.992 92.033 50.814 1.00 0.00 WT3 H ATOM 42877 OH2 TIP3 5561 53.538 48.344 41.729 1.00 0.00 WT3 O ATOM 42878 H1 TIP3 5561 52.746 47.816 41.634 1.00 0.00 WT3 H ATOM 42879 H2 TIP3 5561 54.212 47.851 41.261 1.00 0.00 WT3 H ATOM 42880 OH2 TIP3 5650 75.171 52.088 -13.754 1.00 0.00 WT3 O ATOM 42881 H1 TIP3 5650 76.058 51.798 -13.969 1.00 0.00 WT3 H ATOM 42882 H2 TIP3 5650 74.691 51.280 -13.573 1.00 0.00 WT3 H ATOM 42883 OH2 TIP3 5654 71.844 81.554 12.058 1.00 0.00 WT3 O ATOM 42884 H1 TIP3 5654 72.125 80.641 12.123 1.00 0.00 WT3 H ATOM 42885 H2 TIP3 5654 70.890 81.508 11.995 1.00 0.00 WT3 H ATOM 42886 OH2 TIP3 5669 89.183 53.076 58.699 1.00 0.00 WT3 O ATOM 42887 H1 TIP3 5669 89.630 52.339 58.282 1.00 0.00 WT3 H ATOM 42888 H2 TIP3 5669 89.891 53.653 58.987 1.00 0.00 WT3 H ATOM 42889 OH2 TIP3 5676 51.257 81.053 8.492 1.00 0.00 WT3 O ATOM 42890 H1 TIP3 5676 51.376 80.138 8.744 1.00 0.00 WT3 H ATOM 42891 H2 TIP3 5676 50.315 81.204 8.575 1.00 0.00 WT3 H ATOM 42892 OH2 TIP3 5678 90.852 39.031 56.172 1.00 0.00 WT3 O ATOM 42893 H1 TIP3 5678 90.274 38.491 55.633 1.00 0.00 WT3 H ATOM 42894 H2 TIP3 5678 90.260 39.606 56.658 1.00 0.00 WT3 H ATOM 42895 OH2 TIP3 5679 24.341 49.519 24.248 1.00 0.00 WT3 O ATOM 42896 H1 TIP3 5679 24.370 50.426 23.942 1.00 0.00 WT3 H ATOM 42897 H2 TIP3 5679 25.236 49.200 24.136 1.00 0.00 WT3 H ATOM 42898 OH2 TIP3 5690 36.871 71.805 18.844 1.00 0.00 WT3 O ATOM 42899 H1 TIP3 5690 37.360 71.523 19.616 1.00 0.00 WT3 H ATOM 42900 H2 TIP3 5690 36.305 71.063 18.634 1.00 0.00 WT3 H ATOM 42901 OH2 TIP3 5691 29.748 74.838 38.560 1.00 0.00 WT3 O ATOM 42902 H1 TIP3 5691 30.102 74.100 39.056 1.00 0.00 WT3 H ATOM 42903 H2 TIP3 5691 30.424 75.040 37.914 1.00 0.00 WT3 H ATOM 42904 OH2 TIP3 5692 80.465 72.141 22.145 1.00 0.00 WT3 O ATOM 42905 H1 TIP3 5692 79.550 71.905 22.302 1.00 0.00 WT3 H ATOM 42906 H2 TIP3 5692 80.952 71.334 22.311 1.00 0.00 WT3 H ATOM 42907 OH2 TIP3 5697 44.513 43.605 49.820 1.00 0.00 WT3 O ATOM 42908 H1 TIP3 5697 45.362 43.883 50.163 1.00 0.00 WT3 H ATOM 42909 H2 TIP3 5697 44.665 43.469 48.884 1.00 0.00 WT3 H ATOM 42910 OH2 TIP3 5706 90.748 80.877 -7.000 1.00 0.00 WT3 O ATOM 42911 H1 TIP3 5706 90.760 81.518 -6.290 1.00 0.00 WT3 H ATOM 42912 H2 TIP3 5706 89.846 80.889 -7.320 1.00 0.00 WT3 H ATOM 42913 OH2 TIP3 5710 34.837 70.709 -2.300 1.00 0.00 WT3 O ATOM 42914 H1 TIP3 5710 34.604 69.880 -2.718 1.00 0.00 WT3 H ATOM 42915 H2 TIP3 5710 35.367 70.456 -1.544 1.00 0.00 WT3 H ATOM 42916 OH2 TIP3 5711 81.491 4.514 -9.200 1.00 0.00 WT3 O ATOM 42917 H1 TIP3 5711 80.549 4.363 -9.270 1.00 0.00 WT3 H ATOM 42918 H2 TIP3 5711 81.575 5.210 -8.548 1.00 0.00 WT3 H ATOM 42919 OH2 TIP3 5714 26.785 31.032 27.854 1.00 0.00 WT3 O ATOM 42920 H1 TIP3 5714 27.185 30.181 28.033 1.00 0.00 WT3 H ATOM 42921 H2 TIP3 5714 26.449 30.956 26.960 1.00 0.00 WT3 H ATOM 42922 OH2 TIP3 5715 48.897 54.652 -15.680 1.00 0.00 WT3 O ATOM 42923 H1 TIP3 5715 49.130 53.989 -16.330 1.00 0.00 WT3 H ATOM 42924 H2 TIP3 5715 48.925 54.188 -14.843 1.00 0.00 WT3 H ATOM 42925 OH2 TIP3 5720 68.630 40.286 24.583 1.00 0.00 WT3 O ATOM 42926 H1 TIP3 5720 67.737 40.235 24.244 1.00 0.00 WT3 H ATOM 42927 H2 TIP3 5720 69.138 39.714 24.008 1.00 0.00 WT3 H ATOM 42928 OH2 TIP3 5723 32.681 93.029 -13.073 1.00 0.00 WT3 O ATOM 42929 H1 TIP3 5723 32.812 92.767 -13.984 1.00 0.00 WT3 H ATOM 42930 H2 TIP3 5723 33.409 92.625 -12.600 1.00 0.00 WT3 H ATOM 42931 OH2 TIP3 5727 45.329 86.385 32.569 1.00 0.00 WT3 O ATOM 42932 H1 TIP3 5727 45.683 85.565 32.224 1.00 0.00 WT3 H ATOM 42933 H2 TIP3 5727 45.316 86.261 33.518 1.00 0.00 WT3 H ATOM 42934 OH2 TIP3 5733 76.735 63.263 42.090 1.00 0.00 WT3 O ATOM 42935 H1 TIP3 5733 76.123 63.611 41.441 1.00 0.00 WT3 H ATOM 42936 H2 TIP3 5733 76.304 62.479 42.430 1.00 0.00 WT3 H ATOM 42937 OH2 TIP3 5734 34.615 35.471 -1.073 1.00 0.00 WT3 O ATOM 42938 H1 TIP3 5734 34.900 35.915 -0.274 1.00 0.00 WT3 H ATOM 42939 H2 TIP3 5734 35.131 35.876 -1.769 1.00 0.00 WT3 H ATOM 42940 OH2 TIP3 5736 73.950 66.047 21.147 1.00 0.00 WT3 O ATOM 42941 H1 TIP3 5736 73.009 65.885 21.203 1.00 0.00 WT3 H ATOM 42942 H2 TIP3 5736 74.108 66.763 21.763 1.00 0.00 WT3 H ATOM 42943 OH2 TIP3 5738 55.184 55.385 -5.130 1.00 0.00 WT3 O ATOM 42944 H1 TIP3 5738 55.317 55.711 -4.240 1.00 0.00 WT3 H ATOM 42945 H2 TIP3 5738 54.294 55.655 -5.354 1.00 0.00 WT3 H ATOM 42946 OH2 TIP3 5744 82.860 51.611 63.899 1.00 0.00 WT3 O ATOM 42947 H1 TIP3 5744 82.235 52.333 63.959 1.00 0.00 WT3 H ATOM 42948 H2 TIP3 5744 83.646 52.005 63.520 1.00 0.00 WT3 H ATOM 42949 OH2 TIP3 5749 26.717 84.397 39.736 1.00 0.00 WT3 O ATOM 42950 H1 TIP3 5749 26.512 84.143 40.636 1.00 0.00 WT3 H ATOM 42951 H2 TIP3 5749 26.597 83.595 39.227 1.00 0.00 WT3 H ATOM 42952 OH2 TIP3 5750 44.959 94.642 -17.280 1.00 0.00 WT3 O ATOM 42953 H1 TIP3 5750 44.385 95.154 -16.711 1.00 0.00 WT3 H ATOM 42954 H2 TIP3 5750 44.738 93.731 -17.088 1.00 0.00 WT3 H ATOM 42955 OH2 TIP3 5753 80.153 52.540 24.648 1.00 0.00 WT3 O ATOM 42956 H1 TIP3 5753 80.366 52.826 23.759 1.00 0.00 WT3 H ATOM 42957 H2 TIP3 5753 80.077 51.588 24.581 1.00 0.00 WT3 H ATOM 42958 OH2 TIP3 5754 62.543 22.637 6.789 1.00 0.00 WT3 O ATOM 42959 H1 TIP3 5754 61.728 22.301 7.163 1.00 0.00 WT3 H ATOM 42960 H2 TIP3 5754 62.451 22.498 5.847 1.00 0.00 WT3 H ATOM 42961 OH2 TIP3 5755 70.059 74.407 29.371 1.00 0.00 WT3 O ATOM 42962 H1 TIP3 5755 70.053 73.452 29.306 1.00 0.00 WT3 H ATOM 42963 H2 TIP3 5755 69.334 74.690 28.814 1.00 0.00 WT3 H ATOM 42964 OH2 TIP3 5756 24.426 85.270 -16.255 1.00 0.00 WT3 O ATOM 42965 H1 TIP3 5756 24.115 84.733 -15.526 1.00 0.00 WT3 H ATOM 42966 H2 TIP3 5756 25.069 84.719 -16.701 1.00 0.00 WT3 H ATOM 42967 OH2 TIP3 5757 22.904 23.332 -2.232 1.00 0.00 WT3 O ATOM 42968 H1 TIP3 5757 22.573 24.230 -2.223 1.00 0.00 WT3 H ATOM 42969 H2 TIP3 5757 22.129 22.788 -2.091 1.00 0.00 WT3 H ATOM 42970 OH2 TIP3 5758 87.180 71.776 8.758 1.00 0.00 WT3 O ATOM 42971 H1 TIP3 5758 86.567 72.247 9.322 1.00 0.00 WT3 H ATOM 42972 H2 TIP3 5758 87.916 72.378 8.646 1.00 0.00 WT3 H ATOM 42973 OH2 TIP3 5764 80.796 60.004 62.457 1.00 0.00 WT3 O ATOM 42974 H1 TIP3 5764 80.013 59.543 62.157 1.00 0.00 WT3 H ATOM 42975 H2 TIP3 5764 80.968 59.645 63.328 1.00 0.00 WT3 H ATOM 42976 OH2 TIP3 5768 29.173 33.829 30.033 1.00 0.00 WT3 O ATOM 42977 H1 TIP3 5768 29.245 33.528 29.127 1.00 0.00 WT3 H ATOM 42978 H2 TIP3 5768 28.268 33.637 30.278 1.00 0.00 WT3 H ATOM 42979 OH2 TIP3 5772 34.711 74.748 20.333 1.00 0.00 WT3 O ATOM 42980 H1 TIP3 5772 35.584 74.662 20.715 1.00 0.00 WT3 H ATOM 42981 H2 TIP3 5772 34.651 74.028 19.706 1.00 0.00 WT3 H ATOM 42982 OH2 TIP3 5774 52.518 38.991 -16.100 1.00 0.00 WT3 O ATOM 42983 H1 TIP3 5774 52.821 39.236 -16.974 1.00 0.00 WT3 H ATOM 42984 H2 TIP3 5774 52.273 39.820 -15.689 1.00 0.00 WT3 H ATOM 42985 OH2 TIP3 5776 65.360 76.369 -9.615 1.00 0.00 WT3 O ATOM 42986 H1 TIP3 5776 65.688 75.839 -10.341 1.00 0.00 WT3 H ATOM 42987 H2 TIP3 5776 65.919 77.147 -9.615 1.00 0.00 WT3 H ATOM 42988 OH2 TIP3 5777 49.821 73.648 54.797 1.00 0.00 WT3 O ATOM 42989 H1 TIP3 5777 49.205 73.173 54.238 1.00 0.00 WT3 H ATOM 42990 H2 TIP3 5777 50.567 73.055 54.889 1.00 0.00 WT3 H ATOM 42991 OH2 TIP3 5778 27.816 9.297 -8.509 1.00 0.00 WT3 O ATOM 42992 H1 TIP3 5778 27.380 10.129 -8.696 1.00 0.00 WT3 H ATOM 42993 H2 TIP3 5778 27.427 9.001 -7.687 1.00 0.00 WT3 H ATOM 42994 OH2 TIP3 5779 89.963 23.286 9.412 1.00 0.00 WT3 O ATOM 42995 H1 TIP3 5779 90.729 23.464 8.867 1.00 0.00 WT3 H ATOM 42996 H2 TIP3 5779 89.217 23.391 8.821 1.00 0.00 WT3 H ATOM 42997 OH2 TIP3 5780 67.500 39.186 28.915 1.00 0.00 WT3 O ATOM 42998 H1 TIP3 5780 68.383 39.413 29.205 1.00 0.00 WT3 H ATOM 42999 H2 TIP3 5780 67.333 39.769 28.174 1.00 0.00 WT3 H ATOM 43000 OH2 TIP3 5781 82.427 85.893 49.491 1.00 0.00 WT3 O ATOM 43001 H1 TIP3 5781 81.809 86.222 48.837 1.00 0.00 WT3 H ATOM 43002 H2 TIP3 5781 82.129 85.002 49.676 1.00 0.00 WT3 H ATOM 43003 OH2 TIP3 5782 26.911 28.353 13.367 1.00 0.00 WT3 O ATOM 43004 H1 TIP3 5782 27.466 27.626 13.649 1.00 0.00 WT3 H ATOM 43005 H2 TIP3 5782 27.016 29.015 14.051 1.00 0.00 WT3 H ATOM 43006 OH2 TIP3 5787 56.670 66.529 15.756 1.00 0.00 WT3 O ATOM 43007 H1 TIP3 5787 56.170 66.136 15.041 1.00 0.00 WT3 H ATOM 43008 H2 TIP3 5787 57.501 66.053 15.758 1.00 0.00 WT3 H ATOM 43009 OH2 TIP3 5790 64.761 66.986 27.609 1.00 0.00 WT3 O ATOM 43010 H1 TIP3 5790 64.356 67.255 26.785 1.00 0.00 WT3 H ATOM 43011 H2 TIP3 5790 64.041 66.615 28.120 1.00 0.00 WT3 H ATOM 43012 OH2 TIP3 5795 54.405 84.791 14.748 1.00 0.00 WT3 O ATOM 43013 H1 TIP3 5795 54.898 84.536 13.969 1.00 0.00 WT3 H ATOM 43014 H2 TIP3 5795 53.599 84.275 14.702 1.00 0.00 WT3 H ATOM 43015 OH2 TIP3 5797 20.833 13.943 -1.516 1.00 0.00 WT3 O ATOM 43016 H1 TIP3 5797 20.303 13.393 -2.094 1.00 0.00 WT3 H ATOM 43017 H2 TIP3 5797 20.194 14.431 -0.997 1.00 0.00 WT3 H ATOM 43018 OH2 TIP3 5798 62.168 22.184 -6.718 1.00 0.00 WT3 O ATOM 43019 H1 TIP3 5798 62.311 21.924 -5.808 1.00 0.00 WT3 H ATOM 43020 H2 TIP3 5798 62.996 22.579 -6.989 1.00 0.00 WT3 H ATOM 43021 OH2 TIP3 5799 51.514 89.130 60.271 1.00 0.00 WT3 O ATOM 43022 H1 TIP3 5799 51.216 89.127 59.362 1.00 0.00 WT3 H ATOM 43023 H2 TIP3 5799 52.391 89.512 60.236 1.00 0.00 WT3 H ATOM 43024 OH2 TIP3 5800 84.474 34.442 -8.653 1.00 0.00 WT3 O ATOM 43025 H1 TIP3 5800 84.462 34.269 -7.712 1.00 0.00 WT3 H ATOM 43026 H2 TIP3 5800 83.589 34.226 -8.949 1.00 0.00 WT3 H ATOM 43027 OH2 TIP3 5801 67.004 74.964 14.742 1.00 0.00 WT3 O ATOM 43028 H1 TIP3 5801 66.272 74.394 14.976 1.00 0.00 WT3 H ATOM 43029 H2 TIP3 5801 66.780 75.812 15.124 1.00 0.00 WT3 H ATOM 43030 OH2 TIP3 5802 68.400 7.573 12.278 1.00 0.00 WT3 O ATOM 43031 H1 TIP3 5802 68.430 8.066 13.097 1.00 0.00 WT3 H ATOM 43032 H2 TIP3 5802 69.241 7.116 12.241 1.00 0.00 WT3 H ATOM 43033 OH2 TIP3 5803 48.836 65.900 1.570 1.00 0.00 WT3 O ATOM 43034 H1 TIP3 5803 48.441 65.209 2.103 1.00 0.00 WT3 H ATOM 43035 H2 TIP3 5803 49.770 65.858 1.777 1.00 0.00 WT3 H ATOM 43036 OH2 TIP3 5808 82.617 27.567 32.358 1.00 0.00 WT3 O ATOM 43037 H1 TIP3 5808 83.096 28.385 32.489 1.00 0.00 WT3 H ATOM 43038 H2 TIP3 5808 82.829 27.305 31.462 1.00 0.00 WT3 H ATOM 43039 OH2 TIP3 5809 63.927 96.030 22.490 1.00 0.00 WT3 O ATOM 43040 H1 TIP3 5809 63.001 96.003 22.732 1.00 0.00 WT3 H ATOM 43041 H2 TIP3 5809 64.318 95.292 22.959 1.00 0.00 WT3 H ATOM 43042 OH2 TIP3 5810 71.373 24.445 42.746 1.00 0.00 WT3 O ATOM 43043 H1 TIP3 5810 70.693 23.975 43.229 1.00 0.00 WT3 H ATOM 43044 H2 TIP3 5810 71.791 23.774 42.206 1.00 0.00 WT3 H ATOM 43045 OH2 TIP3 5812 79.701 91.900 18.700 1.00 0.00 WT3 O ATOM 43046 H1 TIP3 5812 79.899 92.620 19.298 1.00 0.00 WT3 H ATOM 43047 H2 TIP3 5812 79.015 91.401 19.144 1.00 0.00 WT3 H ATOM 43048 OH2 TIP3 5813 76.466 67.602 50.970 1.00 0.00 WT3 O ATOM 43049 H1 TIP3 5813 75.989 66.963 50.441 1.00 0.00 WT3 H ATOM 43050 H2 TIP3 5813 77.164 67.095 51.386 1.00 0.00 WT3 H ATOM 43051 OH2 TIP3 5814 70.092 45.613 -5.184 1.00 0.00 WT3 O ATOM 43052 H1 TIP3 5814 69.572 44.902 -4.810 1.00 0.00 WT3 H ATOM 43053 H2 TIP3 5814 69.955 46.350 -4.589 1.00 0.00 WT3 H ATOM 43054 OH2 TIP3 5815 46.394 1.680 50.903 1.00 0.00 WT3 O ATOM 43055 H1 TIP3 5815 46.861 1.837 51.723 1.00 0.00 WT3 H ATOM 43056 H2 TIP3 5815 46.828 2.249 50.267 1.00 0.00 WT3 H ATOM 43057 OH2 TIP3 5816 66.453 61.609 27.880 1.00 0.00 WT3 O ATOM 43058 H1 TIP3 5816 66.124 60.760 27.586 1.00 0.00 WT3 H ATOM 43059 H2 TIP3 5816 65.674 62.163 27.933 1.00 0.00 WT3 H ATOM 43060 OH2 TIP3 5817 69.522 55.085 35.417 1.00 0.00 WT3 O ATOM 43061 H1 TIP3 5817 68.584 55.018 35.237 1.00 0.00 WT3 H ATOM 43062 H2 TIP3 5817 69.874 55.579 34.676 1.00 0.00 WT3 H ATOM 43063 OH2 TIP3 5818 36.716 8.650 46.316 1.00 0.00 WT3 O ATOM 43064 H1 TIP3 5818 36.925 7.722 46.211 1.00 0.00 WT3 H ATOM 43065 H2 TIP3 5818 36.034 8.667 46.987 1.00 0.00 WT3 H ATOM 43066 OH2 TIP3 5819 44.929 80.099 7.795 1.00 0.00 WT3 O ATOM 43067 H1 TIP3 5819 45.202 80.939 8.165 1.00 0.00 WT3 H ATOM 43068 H2 TIP3 5819 45.057 79.471 8.506 1.00 0.00 WT3 H ATOM 43069 OH2 TIP3 5820 73.353 77.972 61.487 1.00 0.00 WT3 O ATOM 43070 H1 TIP3 5820 73.887 77.824 62.268 1.00 0.00 WT3 H ATOM 43071 H2 TIP3 5820 72.961 77.120 61.299 1.00 0.00 WT3 H ATOM 43072 OH2 TIP3 5821 32.771 49.971 15.744 1.00 0.00 WT3 O ATOM 43073 H1 TIP3 5821 33.160 49.979 14.869 1.00 0.00 WT3 H ATOM 43074 H2 TIP3 5821 32.774 49.048 15.999 1.00 0.00 WT3 H ATOM 43075 OH2 TIP3 5823 33.660 66.748 16.000 1.00 0.00 WT3 O ATOM 43076 H1 TIP3 5823 34.600 66.568 16.025 1.00 0.00 WT3 H ATOM 43077 H2 TIP3 5823 33.291 66.026 15.491 1.00 0.00 WT3 H ATOM 43078 OH2 TIP3 5827 60.597 1.544 18.302 1.00 0.00 WT3 O ATOM 43079 H1 TIP3 5827 60.513 0.591 18.317 1.00 0.00 WT3 H ATOM 43080 H2 TIP3 5827 61.425 1.719 18.748 1.00 0.00 WT3 H ATOM 43081 OH2 TIP3 5828 85.294 70.537 45.225 1.00 0.00 WT3 O ATOM 43082 H1 TIP3 5828 85.326 71.056 46.029 1.00 0.00 WT3 H ATOM 43083 H2 TIP3 5828 84.675 69.833 45.419 1.00 0.00 WT3 H ATOM 43084 OH2 TIP3 5829 51.957 92.576 -4.793 1.00 0.00 WT3 O ATOM 43085 H1 TIP3 5829 52.311 92.260 -5.624 1.00 0.00 WT3 H ATOM 43086 H2 TIP3 5829 51.182 92.035 -4.641 1.00 0.00 WT3 H ATOM 43087 OH2 TIP3 5830 56.406 73.182 29.559 1.00 0.00 WT3 O ATOM 43088 H1 TIP3 5830 55.857 72.791 28.879 1.00 0.00 WT3 H ATOM 43089 H2 TIP3 5830 55.947 72.991 30.377 1.00 0.00 WT3 H ATOM 43090 OH2 TIP3 5832 89.984 88.497 11.802 1.00 0.00 WT3 O ATOM 43091 H1 TIP3 5832 89.859 87.573 12.020 1.00 0.00 WT3 H ATOM 43092 H2 TIP3 5832 89.940 88.950 12.644 1.00 0.00 WT3 H ATOM 43093 OH2 TIP3 5835 46.576 82.216 52.821 1.00 0.00 WT3 O ATOM 43094 H1 TIP3 5835 46.518 83.080 53.228 1.00 0.00 WT3 H ATOM 43095 H2 TIP3 5835 46.981 81.663 53.490 1.00 0.00 WT3 H ATOM 43096 OH2 TIP3 5836 43.281 18.400 -19.861 1.00 0.00 WT3 O ATOM 43097 H1 TIP3 5836 42.952 19.069 -19.260 1.00 0.00 WT3 H ATOM 43098 H2 TIP3 5836 43.157 17.575 -19.393 1.00 0.00 WT3 H ATOM 43099 OH2 TIP3 5837 39.132 73.179 -6.229 1.00 0.00 WT3 O ATOM 43100 H1 TIP3 5837 38.184 73.075 -6.156 1.00 0.00 WT3 H ATOM 43101 H2 TIP3 5837 39.469 72.919 -5.371 1.00 0.00 WT3 H ATOM 43102 OH2 TIP3 5838 83.998 30.752 46.542 1.00 0.00 WT3 O ATOM 43103 H1 TIP3 5838 83.848 29.835 46.770 1.00 0.00 WT3 H ATOM 43104 H2 TIP3 5838 84.769 31.002 47.052 1.00 0.00 WT3 H ATOM 43105 OH2 TIP3 5839 75.014 26.450 58.589 1.00 0.00 WT3 O ATOM 43106 H1 TIP3 5839 75.189 25.629 58.129 1.00 0.00 WT3 H ATOM 43107 H2 TIP3 5839 75.740 26.537 59.208 1.00 0.00 WT3 H ATOM 43108 OH2 TIP3 5840 62.527 66.699 53.463 1.00 0.00 WT3 O ATOM 43109 H1 TIP3 5840 62.685 65.766 53.315 1.00 0.00 WT3 H ATOM 43110 H2 TIP3 5840 61.692 66.873 53.028 1.00 0.00 WT3 H ATOM 43111 OH2 TIP3 5841 69.024 49.015 -6.167 1.00 0.00 WT3 O ATOM 43112 H1 TIP3 5841 68.220 48.696 -6.575 1.00 0.00 WT3 H ATOM 43113 H2 TIP3 5841 68.942 48.766 -5.246 1.00 0.00 WT3 H ATOM 43114 OH2 TIP3 5842 77.242 77.686 -13.838 1.00 0.00 WT3 O ATOM 43115 H1 TIP3 5842 76.943 76.990 -14.424 1.00 0.00 WT3 H ATOM 43116 H2 TIP3 5842 76.804 77.503 -13.006 1.00 0.00 WT3 H ATOM 43117 OH2 TIP3 5843 45.182 85.847 60.984 1.00 0.00 WT3 O ATOM 43118 H1 TIP3 5843 45.475 86.686 61.339 1.00 0.00 WT3 H ATOM 43119 H2 TIP3 5843 45.452 85.203 61.639 1.00 0.00 WT3 H ATOM 43120 OH2 TIP3 5844 64.551 17.480 19.081 1.00 0.00 WT3 O ATOM 43121 H1 TIP3 5844 64.560 18.434 19.005 1.00 0.00 WT3 H ATOM 43122 H2 TIP3 5844 65.365 17.198 18.664 1.00 0.00 WT3 H ATOM 43123 OH2 TIP3 5845 63.982 54.626 -17.503 1.00 0.00 WT3 O ATOM 43124 H1 TIP3 5845 64.307 55.455 -17.854 1.00 0.00 WT3 H ATOM 43125 H2 TIP3 5845 63.661 54.150 -18.269 1.00 0.00 WT3 H ATOM 43126 OH2 TIP3 5846 85.047 47.910 53.666 1.00 0.00 WT3 O ATOM 43127 H1 TIP3 5846 84.898 48.819 53.407 1.00 0.00 WT3 H ATOM 43128 H2 TIP3 5846 84.188 47.494 53.591 1.00 0.00 WT3 H ATOM 43129 OH2 TIP3 5848 74.012 62.369 -0.416 1.00 0.00 WT3 O ATOM 43130 H1 TIP3 5848 74.184 61.651 0.193 1.00 0.00 WT3 H ATOM 43131 H2 TIP3 5848 73.919 61.943 -1.268 1.00 0.00 WT3 H ATOM 43132 OH2 TIP3 5850 44.045 41.630 -19.628 1.00 0.00 WT3 O ATOM 43133 H1 TIP3 5850 44.326 40.770 -19.941 1.00 0.00 WT3 H ATOM 43134 H2 TIP3 5850 44.328 41.658 -18.715 1.00 0.00 WT3 H ATOM 43135 OH2 TIP3 5851 40.050 6.222 14.430 1.00 0.00 WT3 O ATOM 43136 H1 TIP3 5851 39.859 5.812 15.274 1.00 0.00 WT3 H ATOM 43137 H2 TIP3 5851 39.808 7.141 14.549 1.00 0.00 WT3 H ATOM 43138 OH2 TIP3 5853 28.623 59.903 -8.054 1.00 0.00 WT3 O ATOM 43139 H1 TIP3 5853 28.509 59.997 -9.000 1.00 0.00 WT3 H ATOM 43140 H2 TIP3 5853 27.865 60.349 -7.676 1.00 0.00 WT3 H ATOM 43141 OH2 TIP3 5854 48.189 69.059 55.552 1.00 0.00 WT3 O ATOM 43142 H1 TIP3 5854 47.519 69.561 56.016 1.00 0.00 WT3 H ATOM 43143 H2 TIP3 5854 47.991 69.194 54.625 1.00 0.00 WT3 H ATOM 43144 OH2 TIP3 5855 48.761 84.353 42.719 1.00 0.00 WT3 O ATOM 43145 H1 TIP3 5855 48.801 83.552 42.196 1.00 0.00 WT3 H ATOM 43146 H2 TIP3 5855 48.565 84.051 43.606 1.00 0.00 WT3 H ATOM 43147 OH2 TIP3 5856 59.444 5.174 20.278 1.00 0.00 WT3 O ATOM 43148 H1 TIP3 5856 59.431 4.961 19.345 1.00 0.00 WT3 H ATOM 43149 H2 TIP3 5856 59.562 6.123 20.306 1.00 0.00 WT3 H ATOM 43150 OH2 TIP3 5857 34.423 90.497 28.937 1.00 0.00 WT3 O ATOM 43151 H1 TIP3 5857 35.182 90.855 28.477 1.00 0.00 WT3 H ATOM 43152 H2 TIP3 5857 33.885 90.109 28.247 1.00 0.00 WT3 H ATOM 43153 OH2 TIP3 5858 43.433 76.640 66.898 1.00 0.00 WT3 O ATOM 43154 H1 TIP3 5858 42.517 76.858 67.070 1.00 0.00 WT3 H ATOM 43155 H2 TIP3 5858 43.698 77.248 66.207 1.00 0.00 WT3 H ATOM 43156 OH2 TIP3 5859 27.462 75.237 35.343 1.00 0.00 WT3 O ATOM 43157 H1 TIP3 5859 27.829 74.640 35.995 1.00 0.00 WT3 H ATOM 43158 H2 TIP3 5859 27.855 76.086 35.547 1.00 0.00 WT3 H ATOM 43159 OH2 TIP3 5860 32.034 85.465 8.235 1.00 0.00 WT3 O ATOM 43160 H1 TIP3 5860 31.670 84.584 8.141 1.00 0.00 WT3 H ATOM 43161 H2 TIP3 5860 31.925 85.671 9.163 1.00 0.00 WT3 H ATOM 43162 OH2 TIP3 5861 71.972 63.785 -1.651 1.00 0.00 WT3 O ATOM 43163 H1 TIP3 5861 72.588 63.154 -1.278 1.00 0.00 WT3 H ATOM 43164 H2 TIP3 5861 71.610 64.243 -0.893 1.00 0.00 WT3 H ATOM 43165 OH2 TIP3 5862 75.812 81.935 3.225 1.00 0.00 WT3 O ATOM 43166 H1 TIP3 5862 75.807 82.881 3.076 1.00 0.00 WT3 H ATOM 43167 H2 TIP3 5862 76.600 81.626 2.778 1.00 0.00 WT3 H ATOM 43168 OH2 TIP3 5863 41.485 18.246 -4.101 1.00 0.00 WT3 O ATOM 43169 H1 TIP3 5863 41.848 18.399 -3.229 1.00 0.00 WT3 H ATOM 43170 H2 TIP3 5863 40.796 18.904 -4.194 1.00 0.00 WT3 H ATOM 43171 OH2 TIP3 5864 70.819 56.919 7.849 1.00 0.00 WT3 O ATOM 43172 H1 TIP3 5864 70.460 57.541 7.216 1.00 0.00 WT3 H ATOM 43173 H2 TIP3 5864 70.402 57.154 8.678 1.00 0.00 WT3 H ATOM 43174 OH2 TIP3 5865 74.996 64.980 -0.270 1.00 0.00 WT3 O ATOM 43175 H1 TIP3 5865 74.670 64.079 -0.271 1.00 0.00 WT3 H ATOM 43176 H2 TIP3 5865 74.347 65.469 0.235 1.00 0.00 WT3 H ATOM 43177 OH2 TIP3 5866 73.852 94.198 5.970 1.00 0.00 WT3 O ATOM 43178 H1 TIP3 5866 74.394 93.485 5.631 1.00 0.00 WT3 H ATOM 43179 H2 TIP3 5866 72.957 93.863 5.923 1.00 0.00 WT3 H ATOM 43180 OH2 TIP3 5868 49.303 68.335 12.785 1.00 0.00 WT3 O ATOM 43181 H1 TIP3 5868 49.946 67.761 13.202 1.00 0.00 WT3 H ATOM 43182 H2 TIP3 5868 49.590 69.220 13.011 1.00 0.00 WT3 H ATOM 43183 OH2 TIP3 5870 53.299 18.253 -2.061 1.00 0.00 WT3 O ATOM 43184 H1 TIP3 5870 53.342 19.121 -2.462 1.00 0.00 WT3 H ATOM 43185 H2 TIP3 5870 53.419 17.645 -2.790 1.00 0.00 WT3 H ATOM 43186 OH2 TIP3 5871 30.672 4.004 11.053 1.00 0.00 WT3 O ATOM 43187 H1 TIP3 5871 31.116 4.226 11.872 1.00 0.00 WT3 H ATOM 43188 H2 TIP3 5871 30.947 3.106 10.867 1.00 0.00 WT3 H ATOM 43189 OH2 TIP3 5872 66.683 70.534 -10.855 1.00 0.00 WT3 O ATOM 43190 H1 TIP3 5872 67.566 70.296 -10.571 1.00 0.00 WT3 H ATOM 43191 H2 TIP3 5872 66.795 70.837 -11.756 1.00 0.00 WT3 H ATOM 43192 OH2 TIP3 5874 67.629 92.875 55.541 1.00 0.00 WT3 O ATOM 43193 H1 TIP3 5874 68.221 92.585 56.235 1.00 0.00 WT3 H ATOM 43194 H2 TIP3 5874 67.493 92.097 55.001 1.00 0.00 WT3 H ATOM 43195 OH2 TIP3 5875 47.420 80.457 -6.023 1.00 0.00 WT3 O ATOM 43196 H1 TIP3 5875 48.021 79.959 -5.469 1.00 0.00 WT3 H ATOM 43197 H2 TIP3 5875 47.665 80.219 -6.917 1.00 0.00 WT3 H ATOM 43198 OH2 TIP3 5876 20.722 68.578 17.091 1.00 0.00 WT3 O ATOM 43199 H1 TIP3 5876 20.808 69.439 17.499 1.00 0.00 WT3 H ATOM 43200 H2 TIP3 5876 20.512 68.765 16.176 1.00 0.00 WT3 H ATOM 43201 OH2 TIP3 5877 63.609 89.771 66.283 1.00 0.00 WT3 O ATOM 43202 H1 TIP3 5877 64.551 89.641 66.176 1.00 0.00 WT3 H ATOM 43203 H2 TIP3 5877 63.527 90.290 67.082 1.00 0.00 WT3 H ATOM 43204 OH2 TIP3 5878 32.489 7.266 5.517 1.00 0.00 WT3 O ATOM 43205 H1 TIP3 5878 32.067 7.675 4.762 1.00 0.00 WT3 H ATOM 43206 H2 TIP3 5878 31.943 7.517 6.262 1.00 0.00 WT3 H ATOM 43207 OH2 TIP3 5879 83.008 83.549 39.790 1.00 0.00 WT3 O ATOM 43208 H1 TIP3 5879 82.876 83.851 38.891 1.00 0.00 WT3 H ATOM 43209 H2 TIP3 5879 82.431 82.790 39.875 1.00 0.00 WT3 H ATOM 43210 OH2 TIP3 5880 34.325 63.698 37.552 1.00 0.00 WT3 O ATOM 43211 H1 TIP3 5880 34.725 64.190 38.269 1.00 0.00 WT3 H ATOM 43212 H2 TIP3 5880 34.192 64.346 36.861 1.00 0.00 WT3 H ATOM 43213 OH2 TIP3 5881 75.421 87.959 -15.018 1.00 0.00 WT3 O ATOM 43214 H1 TIP3 5881 76.155 87.347 -14.958 1.00 0.00 WT3 H ATOM 43215 H2 TIP3 5881 75.199 87.976 -15.949 1.00 0.00 WT3 H ATOM 43216 OH2 TIP3 5882 23.568 84.209 52.337 1.00 0.00 WT3 O ATOM 43217 H1 TIP3 5882 22.950 84.874 52.641 1.00 0.00 WT3 H ATOM 43218 H2 TIP3 5882 23.059 83.663 51.739 1.00 0.00 WT3 H ATOM 43219 OH2 TIP3 5883 32.890 70.325 12.839 1.00 0.00 WT3 O ATOM 43220 H1 TIP3 5883 33.822 70.185 13.007 1.00 0.00 WT3 H ATOM 43221 H2 TIP3 5883 32.445 69.748 13.460 1.00 0.00 WT3 H ATOM 43222 OH2 TIP3 5884 73.506 28.334 -10.318 1.00 0.00 WT3 O ATOM 43223 H1 TIP3 5884 73.742 27.444 -10.580 1.00 0.00 WT3 H ATOM 43224 H2 TIP3 5884 72.699 28.229 -9.814 1.00 0.00 WT3 H ATOM 43225 OH2 TIP3 5886 30.448 47.466 -15.496 1.00 0.00 WT3 O ATOM 43226 H1 TIP3 5886 30.517 47.919 -14.656 1.00 0.00 WT3 H ATOM 43227 H2 TIP3 5886 29.698 46.880 -15.392 1.00 0.00 WT3 H ATOM 43228 OH2 TIP3 5887 43.140 81.766 -2.584 1.00 0.00 WT3 O ATOM 43229 H1 TIP3 5887 42.386 81.221 -2.360 1.00 0.00 WT3 H ATOM 43230 H2 TIP3 5887 43.380 81.492 -3.469 1.00 0.00 WT3 H ATOM 43231 OH2 TIP3 5888 40.411 6.041 26.562 1.00 0.00 WT3 O ATOM 43232 H1 TIP3 5888 40.724 5.991 27.465 1.00 0.00 WT3 H ATOM 43233 H2 TIP3 5888 40.090 6.938 26.469 1.00 0.00 WT3 H ATOM 43234 OH2 TIP3 5889 56.770 76.066 3.427 1.00 0.00 WT3 O ATOM 43235 H1 TIP3 5889 57.641 76.064 3.822 1.00 0.00 WT3 H ATOM 43236 H2 TIP3 5889 56.258 75.466 3.970 1.00 0.00 WT3 H ATOM 43237 OH2 TIP3 5890 23.511 59.349 17.573 1.00 0.00 WT3 O ATOM 43238 H1 TIP3 5890 22.728 59.548 18.086 1.00 0.00 WT3 H ATOM 43239 H2 TIP3 5890 23.388 59.826 16.752 1.00 0.00 WT3 H ATOM 43240 OH2 TIP3 5891 61.614 14.445 10.675 1.00 0.00 WT3 O ATOM 43241 H1 TIP3 5891 61.228 15.320 10.635 1.00 0.00 WT3 H ATOM 43242 H2 TIP3 5891 62.411 14.509 10.149 1.00 0.00 WT3 H ATOM 43243 OH2 TIP3 5892 40.452 61.044 -7.368 1.00 0.00 WT3 O ATOM 43244 H1 TIP3 5892 41.197 61.383 -7.863 1.00 0.00 WT3 H ATOM 43245 H2 TIP3 5892 40.843 60.637 -6.594 1.00 0.00 WT3 H ATOM 43246 OH2 TIP3 5893 31.782 81.691 21.799 1.00 0.00 WT3 O ATOM 43247 H1 TIP3 5893 31.818 81.877 22.738 1.00 0.00 WT3 H ATOM 43248 H2 TIP3 5893 32.119 80.799 21.719 1.00 0.00 WT3 H ATOM 43249 OH2 TIP3 5894 28.236 58.907 29.126 1.00 0.00 WT3 O ATOM 43250 H1 TIP3 5894 29.138 58.622 29.271 1.00 0.00 WT3 H ATOM 43251 H2 TIP3 5894 27.753 58.098 28.958 1.00 0.00 WT3 H ATOM 43252 OH2 TIP3 5895 76.246 80.630 15.478 1.00 0.00 WT3 O ATOM 43253 H1 TIP3 5895 77.009 80.067 15.604 1.00 0.00 WT3 H ATOM 43254 H2 TIP3 5895 75.543 80.029 15.229 1.00 0.00 WT3 H ATOM 43255 OH2 TIP3 5898 81.331 67.421 20.461 1.00 0.00 WT3 O ATOM 43256 H1 TIP3 5898 81.685 68.144 20.979 1.00 0.00 WT3 H ATOM 43257 H2 TIP3 5898 80.408 67.643 20.338 1.00 0.00 WT3 H ATOM 43258 OH2 TIP3 5899 52.176 88.772 12.867 1.00 0.00 WT3 O ATOM 43259 H1 TIP3 5899 51.229 88.907 12.896 1.00 0.00 WT3 H ATOM 43260 H2 TIP3 5899 52.368 88.239 13.638 1.00 0.00 WT3 H ATOM 43261 OH2 TIP3 5900 69.784 55.604 -0.200 1.00 0.00 WT3 O ATOM 43262 H1 TIP3 5900 69.621 54.733 -0.561 1.00 0.00 WT3 H ATOM 43263 H2 TIP3 5900 70.737 55.662 -0.133 1.00 0.00 WT3 H ATOM 43264 OH2 TIP3 5901 65.342 14.576 26.955 1.00 0.00 WT3 O ATOM 43265 H1 TIP3 5901 65.571 14.178 27.795 1.00 0.00 WT3 H ATOM 43266 H2 TIP3 5901 64.769 13.935 26.535 1.00 0.00 WT3 H ATOM 43267 OH2 TIP3 5902 89.053 41.909 1.589 1.00 0.00 WT3 O ATOM 43268 H1 TIP3 5902 89.349 41.022 1.383 1.00 0.00 WT3 H ATOM 43269 H2 TIP3 5902 89.003 42.348 0.740 1.00 0.00 WT3 H ATOM 43270 OH2 TIP3 5903 38.915 87.521 66.294 1.00 0.00 WT3 O ATOM 43271 H1 TIP3 5903 38.552 87.545 65.408 1.00 0.00 WT3 H ATOM 43272 H2 TIP3 5903 39.415 88.334 66.371 1.00 0.00 WT3 H ATOM 43273 OH2 TIP3 5906 58.634 71.157 51.369 1.00 0.00 WT3 O ATOM 43274 H1 TIP3 5906 58.453 70.357 51.862 1.00 0.00 WT3 H ATOM 43275 H2 TIP3 5906 57.919 71.750 51.603 1.00 0.00 WT3 H ATOM 43276 OH2 TIP3 5907 71.659 74.619 32.062 1.00 0.00 WT3 O ATOM 43277 H1 TIP3 5907 71.339 75.166 31.345 1.00 0.00 WT3 H ATOM 43278 H2 TIP3 5907 72.607 74.752 32.061 1.00 0.00 WT3 H ATOM 43279 OH2 TIP3 5909 63.137 78.204 38.554 1.00 0.00 WT3 O ATOM 43280 H1 TIP3 5909 62.757 77.747 37.804 1.00 0.00 WT3 H ATOM 43281 H2 TIP3 5909 63.667 78.902 38.168 1.00 0.00 WT3 H ATOM 43282 OH2 TIP3 5910 88.778 73.753 52.227 1.00 0.00 WT3 O ATOM 43283 H1 TIP3 5910 88.935 74.266 53.020 1.00 0.00 WT3 H ATOM 43284 H2 TIP3 5910 89.651 73.487 51.936 1.00 0.00 WT3 H ATOM 43285 OH2 TIP3 5911 83.640 45.201 12.596 1.00 0.00 WT3 O ATOM 43286 H1 TIP3 5911 83.489 44.278 12.392 1.00 0.00 WT3 H ATOM 43287 H2 TIP3 5911 82.841 45.644 12.311 1.00 0.00 WT3 H ATOM 43288 OH2 TIP3 5912 70.001 10.790 11.035 1.00 0.00 WT3 O ATOM 43289 H1 TIP3 5912 70.847 10.932 11.461 1.00 0.00 WT3 H ATOM 43290 H2 TIP3 5912 69.618 10.049 11.505 1.00 0.00 WT3 H ATOM 43291 OH2 TIP3 5913 23.486 75.129 33.190 1.00 0.00 WT3 O ATOM 43292 H1 TIP3 5913 23.983 75.926 33.374 1.00 0.00 WT3 H ATOM 43293 H2 TIP3 5913 23.120 75.271 32.317 1.00 0.00 WT3 H ATOM 43294 OH2 TIP3 5916 75.652 94.063 -9.412 1.00 0.00 WT3 O ATOM 43295 H1 TIP3 5916 75.311 93.227 -9.732 1.00 0.00 WT3 H ATOM 43296 H2 TIP3 5916 74.895 94.496 -9.018 1.00 0.00 WT3 H ATOM 43297 OH2 TIP3 5917 20.491 95.903 -12.960 1.00 0.00 WT3 O ATOM 43298 H1 TIP3 5917 21.248 95.590 -12.465 1.00 0.00 WT3 H ATOM 43299 H2 TIP3 5917 19.818 96.056 -12.298 1.00 0.00 WT3 H ATOM 43300 OH2 TIP3 5918 45.217 61.532 64.469 1.00 0.00 WT3 O ATOM 43301 H1 TIP3 5918 45.764 60.841 64.095 1.00 0.00 WT3 H ATOM 43302 H2 TIP3 5918 44.326 61.188 64.415 1.00 0.00 WT3 H ATOM 43303 OH2 TIP3 5919 87.398 74.927 2.037 1.00 0.00 WT3 O ATOM 43304 H1 TIP3 5919 87.856 75.424 2.715 1.00 0.00 WT3 H ATOM 43305 H2 TIP3 5919 88.079 74.392 1.630 1.00 0.00 WT3 H ATOM 43306 OH2 TIP3 5920 72.593 32.442 46.782 1.00 0.00 WT3 O ATOM 43307 H1 TIP3 5920 72.120 31.624 46.940 1.00 0.00 WT3 H ATOM 43308 H2 TIP3 5920 73.197 32.236 46.068 1.00 0.00 WT3 H ATOM 43309 OH2 TIP3 5921 49.707 49.067 46.344 1.00 0.00 WT3 O ATOM 43310 H1 TIP3 5921 50.638 49.244 46.208 1.00 0.00 WT3 H ATOM 43311 H2 TIP3 5921 49.261 49.821 45.959 1.00 0.00 WT3 H ATOM 43312 OH2 TIP3 5922 63.777 57.038 25.713 1.00 0.00 WT3 O ATOM 43313 H1 TIP3 5922 63.311 56.489 25.083 1.00 0.00 WT3 H ATOM 43314 H2 TIP3 5922 63.112 57.643 26.042 1.00 0.00 WT3 H ATOM 43315 OH2 TIP3 5923 34.428 49.879 7.718 1.00 0.00 WT3 O ATOM 43316 H1 TIP3 5923 33.551 49.550 7.522 1.00 0.00 WT3 H ATOM 43317 H2 TIP3 5923 34.525 50.651 7.160 1.00 0.00 WT3 H ATOM 43318 OH2 TIP3 5924 56.687 16.750 3.516 1.00 0.00 WT3 O ATOM 43319 H1 TIP3 5924 57.552 16.976 3.860 1.00 0.00 WT3 H ATOM 43320 H2 TIP3 5924 56.267 16.263 4.225 1.00 0.00 WT3 H ATOM 43321 OH2 TIP3 5926 67.597 77.131 -0.592 1.00 0.00 WT3 O ATOM 43322 H1 TIP3 5926 67.733 77.162 -1.539 1.00 0.00 WT3 H ATOM 43323 H2 TIP3 5926 67.742 76.214 -0.359 1.00 0.00 WT3 H ATOM 43324 OH2 TIP3 5931 32.242 85.770 60.228 1.00 0.00 WT3 O ATOM 43325 H1 TIP3 5931 31.919 86.327 60.936 1.00 0.00 WT3 H ATOM 43326 H2 TIP3 5931 32.755 85.094 60.670 1.00 0.00 WT3 H ATOM 43327 OH2 TIP3 5932 28.899 46.225 43.662 1.00 0.00 WT3 O ATOM 43328 H1 TIP3 5932 29.582 45.729 44.112 1.00 0.00 WT3 H ATOM 43329 H2 TIP3 5932 28.092 45.996 44.124 1.00 0.00 WT3 H ATOM 43330 OH2 TIP3 5934 65.682 4.386 66.714 1.00 0.00 WT3 O ATOM 43331 H1 TIP3 5934 65.787 3.949 65.869 1.00 0.00 WT3 H ATOM 43332 H2 TIP3 5934 65.908 5.300 66.542 1.00 0.00 WT3 H ATOM 43333 OH2 TIP3 5935 61.543 89.327 12.216 1.00 0.00 WT3 O ATOM 43334 H1 TIP3 5935 61.454 88.699 11.499 1.00 0.00 WT3 H ATOM 43335 H2 TIP3 5935 61.088 88.919 12.952 1.00 0.00 WT3 H ATOM 43336 OH2 TIP3 5936 31.852 49.359 12.296 1.00 0.00 WT3 O ATOM 43337 H1 TIP3 5936 32.594 49.964 12.315 1.00 0.00 WT3 H ATOM 43338 H2 TIP3 5936 32.141 48.644 11.729 1.00 0.00 WT3 H ATOM 43339 OH2 TIP3 5938 63.964 32.994 10.168 1.00 0.00 WT3 O ATOM 43340 H1 TIP3 5938 63.063 33.074 9.856 1.00 0.00 WT3 H ATOM 43341 H2 TIP3 5938 64.501 33.112 9.384 1.00 0.00 WT3 H ATOM 43342 OH2 TIP3 5939 29.562 69.703 59.956 1.00 0.00 WT3 O ATOM 43343 H1 TIP3 5939 28.943 69.442 59.274 1.00 0.00 WT3 H ATOM 43344 H2 TIP3 5939 29.841 70.583 59.702 1.00 0.00 WT3 H ATOM 43345 OH2 TIP3 5942 23.652 77.490 1.098 1.00 0.00 WT3 O ATOM 43346 H1 TIP3 5942 23.995 77.105 0.291 1.00 0.00 WT3 H ATOM 43347 H2 TIP3 5942 23.178 78.270 0.809 1.00 0.00 WT3 H ATOM 43348 OH2 TIP3 5945 71.898 71.435 -17.152 1.00 0.00 WT3 O ATOM 43349 H1 TIP3 5945 72.823 71.222 -17.276 1.00 0.00 WT3 H ATOM 43350 H2 TIP3 5945 71.441 70.603 -17.283 1.00 0.00 WT3 H ATOM 43351 OH2 TIP3 5948 74.189 91.899 13.044 1.00 0.00 WT3 O ATOM 43352 H1 TIP3 5948 74.769 92.658 13.098 1.00 0.00 WT3 H ATOM 43353 H2 TIP3 5948 73.308 92.271 13.013 1.00 0.00 WT3 H ATOM 43354 OH2 TIP3 5949 36.628 15.306 51.619 1.00 0.00 WT3 O ATOM 43355 H1 TIP3 5949 37.389 15.522 51.081 1.00 0.00 WT3 H ATOM 43356 H2 TIP3 5949 35.954 15.048 50.989 1.00 0.00 WT3 H ATOM 43357 OH2 TIP3 5951 36.259 53.788 4.076 1.00 0.00 WT3 O ATOM 43358 H1 TIP3 5951 36.721 54.616 4.214 1.00 0.00 WT3 H ATOM 43359 H2 TIP3 5951 35.408 54.044 3.721 1.00 0.00 WT3 H ATOM 43360 OH2 TIP3 5952 68.398 35.196 -1.379 1.00 0.00 WT3 O ATOM 43361 H1 TIP3 5952 68.507 36.089 -1.052 1.00 0.00 WT3 H ATOM 43362 H2 TIP3 5952 67.680 35.257 -2.010 1.00 0.00 WT3 H ATOM 43363 OH2 TIP3 5953 74.612 33.370 57.162 1.00 0.00 WT3 O ATOM 43364 H1 TIP3 5953 75.145 33.290 57.952 1.00 0.00 WT3 H ATOM 43365 H2 TIP3 5953 75.219 33.193 56.443 1.00 0.00 WT3 H ATOM 43366 OH2 TIP3 5954 29.654 57.268 41.875 1.00 0.00 WT3 O ATOM 43367 H1 TIP3 5954 29.097 56.865 41.209 1.00 0.00 WT3 H ATOM 43368 H2 TIP3 5954 30.108 57.974 41.413 1.00 0.00 WT3 H ATOM 43369 OH2 TIP3 5955 80.704 23.904 51.386 1.00 0.00 WT3 O ATOM 43370 H1 TIP3 5955 81.445 24.429 51.083 1.00 0.00 WT3 H ATOM 43371 H2 TIP3 5955 80.990 22.998 51.274 1.00 0.00 WT3 H ATOM 43372 OH2 TIP3 5956 43.667 80.990 44.163 1.00 0.00 WT3 O ATOM 43373 H1 TIP3 5956 43.160 80.384 43.622 1.00 0.00 WT3 H ATOM 43374 H2 TIP3 5956 43.054 81.694 44.373 1.00 0.00 WT3 H ATOM 43375 OH2 TIP3 5957 67.770 88.381 51.096 1.00 0.00 WT3 O ATOM 43376 H1 TIP3 5957 68.561 88.216 51.610 1.00 0.00 WT3 H ATOM 43377 H2 TIP3 5957 67.844 87.789 50.347 1.00 0.00 WT3 H ATOM 43378 OH2 TIP3 5959 29.166 23.708 5.570 1.00 0.00 WT3 O ATOM 43379 H1 TIP3 5959 29.894 24.214 5.931 1.00 0.00 WT3 H ATOM 43380 H2 TIP3 5959 28.849 24.234 4.836 1.00 0.00 WT3 H ATOM 43381 OH2 TIP3 5965 80.610 82.054 22.074 1.00 0.00 WT3 O ATOM 43382 H1 TIP3 5965 80.715 81.112 22.211 1.00 0.00 WT3 H ATOM 43383 H2 TIP3 5965 80.269 82.130 21.183 1.00 0.00 WT3 H ATOM 43384 OH2 TIP3 5971 86.692 4.651 47.847 1.00 0.00 WT3 O ATOM 43385 H1 TIP3 5971 86.495 5.177 48.622 1.00 0.00 WT3 H ATOM 43386 H2 TIP3 5971 85.999 3.992 47.821 1.00 0.00 WT3 H ATOM 43387 OH2 TIP3 5972 36.622 87.744 -2.568 1.00 0.00 WT3 O ATOM 43388 H1 TIP3 5972 36.252 87.974 -1.716 1.00 0.00 WT3 H ATOM 43389 H2 TIP3 5972 37.393 88.304 -2.654 1.00 0.00 WT3 H ATOM 43390 OH2 TIP3 5975 80.370 71.287 47.114 1.00 0.00 WT3 O ATOM 43391 H1 TIP3 5975 80.380 71.493 48.048 1.00 0.00 WT3 H ATOM 43392 H2 TIP3 5975 80.505 70.341 47.074 1.00 0.00 WT3 H ATOM 43393 OH2 TIP3 5977 70.604 90.736 1.279 1.00 0.00 WT3 O ATOM 43394 H1 TIP3 5977 70.603 91.667 1.502 1.00 0.00 WT3 H ATOM 43395 H2 TIP3 5977 69.932 90.650 0.603 1.00 0.00 WT3 H ATOM 43396 OH2 TIP3 5981 68.850 0.487 48.780 1.00 0.00 WT3 O ATOM 43397 H1 TIP3 5981 69.186 0.398 49.672 1.00 0.00 WT3 H ATOM 43398 H2 TIP3 5981 67.903 0.566 48.888 1.00 0.00 WT3 H ATOM 43399 OH2 TIP3 5983 66.199 71.931 61.677 1.00 0.00 WT3 O ATOM 43400 H1 TIP3 5983 67.015 72.391 61.478 1.00 0.00 WT3 H ATOM 43401 H2 TIP3 5983 65.516 72.592 61.562 1.00 0.00 WT3 H ATOM 43402 OH2 TIP3 5985 47.034 95.932 35.099 1.00 0.00 WT3 O ATOM 43403 H1 TIP3 5985 47.985 95.837 35.051 1.00 0.00 WT3 H ATOM 43404 H2 TIP3 5985 46.731 95.120 35.506 1.00 0.00 WT3 H ATOM 43405 OH2 TIP3 5994 76.606 42.721 4.022 1.00 0.00 WT3 O ATOM 43406 H1 TIP3 5994 77.294 43.246 4.432 1.00 0.00 WT3 H ATOM 43407 H2 TIP3 5994 75.856 42.806 4.610 1.00 0.00 WT3 H ATOM 43408 OH2 TIP3 5996 45.427 88.407 47.131 1.00 0.00 WT3 O ATOM 43409 H1 TIP3 5996 45.501 89.074 46.448 1.00 0.00 WT3 H ATOM 43410 H2 TIP3 5996 45.240 88.901 47.929 1.00 0.00 WT3 H ATOM 43411 OH2 TIP3 6004 52.757 82.704 -9.131 1.00 0.00 WT3 O ATOM 43412 H1 TIP3 6004 52.006 82.476 -9.680 1.00 0.00 WT3 H ATOM 43413 H2 TIP3 6004 53.505 82.294 -9.566 1.00 0.00 WT3 H ATOM 43414 OH2 TIP3 6090 54.595 39.452 -7.780 1.00 0.00 WT3 O ATOM 43415 H1 TIP3 6090 53.813 39.392 -7.231 1.00 0.00 WT3 H ATOM 43416 H2 TIP3 6090 55.022 40.263 -7.503 1.00 0.00 WT3 H ATOM 43417 OH2 TIP3 6091 73.526 61.183 -2.874 1.00 0.00 WT3 O ATOM 43418 H1 TIP3 6091 73.758 60.541 -3.544 1.00 0.00 WT3 H ATOM 43419 H2 TIP3 6091 72.738 60.828 -2.464 1.00 0.00 WT3 H ATOM 43420 OH2 TIP3 6107 54.665 31.108 37.838 1.00 0.00 WT3 O ATOM 43421 H1 TIP3 6107 55.123 31.935 37.987 1.00 0.00 WT3 H ATOM 43422 H2 TIP3 6107 54.674 30.997 36.887 1.00 0.00 WT3 H ATOM 43423 OH2 TIP3 6110 67.846 63.226 -17.740 1.00 0.00 WT3 O ATOM 43424 H1 TIP3 6110 67.798 62.510 -18.373 1.00 0.00 WT3 H ATOM 43425 H2 TIP3 6110 67.021 63.699 -17.849 1.00 0.00 WT3 H ATOM 43426 OH2 TIP3 6126 51.741 77.964 41.019 1.00 0.00 WT3 O ATOM 43427 H1 TIP3 6126 52.395 78.160 40.349 1.00 0.00 WT3 H ATOM 43428 H2 TIP3 6126 51.553 77.032 40.906 1.00 0.00 WT3 H ATOM 43429 OH2 TIP3 6131 27.976 87.284 -13.347 1.00 0.00 WT3 O ATOM 43430 H1 TIP3 6131 28.613 86.904 -13.952 1.00 0.00 WT3 H ATOM 43431 H2 TIP3 6131 28.472 87.940 -12.857 1.00 0.00 WT3 H ATOM 43432 OH2 TIP3 6134 61.589 37.685 39.514 1.00 0.00 WT3 O ATOM 43433 H1 TIP3 6134 60.814 38.246 39.535 1.00 0.00 WT3 H ATOM 43434 H2 TIP3 6134 62.279 38.241 39.152 1.00 0.00 WT3 H ATOM 43435 OH2 TIP3 6136 58.444 93.480 23.137 1.00 0.00 WT3 O ATOM 43436 H1 TIP3 6136 57.512 93.261 23.131 1.00 0.00 WT3 H ATOM 43437 H2 TIP3 6136 58.881 92.665 23.383 1.00 0.00 WT3 H ATOM 43438 OH2 TIP3 6138 37.304 67.329 -14.481 1.00 0.00 WT3 O ATOM 43439 H1 TIP3 6138 38.071 67.445 -13.919 1.00 0.00 WT3 H ATOM 43440 H2 TIP3 6138 36.992 66.446 -14.282 1.00 0.00 WT3 H ATOM 43441 OH2 TIP3 6146 30.447 59.246 45.460 1.00 0.00 WT3 O ATOM 43442 H1 TIP3 6146 30.603 58.847 46.316 1.00 0.00 WT3 H ATOM 43443 H2 TIP3 6146 29.782 59.915 45.624 1.00 0.00 WT3 H ATOM 43444 OH2 TIP3 6147 73.595 8.200 -11.151 1.00 0.00 WT3 O ATOM 43445 H1 TIP3 6147 74.261 8.622 -11.694 1.00 0.00 WT3 H ATOM 43446 H2 TIP3 6147 74.094 7.676 -10.525 1.00 0.00 WT3 H ATOM 43447 OH2 TIP3 6157 89.652 68.558 -18.900 1.00 0.00 WT3 O ATOM 43448 H1 TIP3 6157 89.994 68.812 -18.043 1.00 0.00 WT3 H ATOM 43449 H2 TIP3 6157 89.332 67.664 -18.775 1.00 0.00 WT3 H ATOM 43450 OH2 TIP3 6158 34.405 29.359 5.815 1.00 0.00 WT3 O ATOM 43451 H1 TIP3 6158 34.516 29.702 4.929 1.00 0.00 WT3 H ATOM 43452 H2 TIP3 6158 33.464 29.205 5.897 1.00 0.00 WT3 H ATOM 43453 OH2 TIP3 6163 51.424 75.429 -6.191 1.00 0.00 WT3 O ATOM 43454 H1 TIP3 6163 50.635 75.935 -6.387 1.00 0.00 WT3 H ATOM 43455 H2 TIP3 6163 52.144 76.047 -6.323 1.00 0.00 WT3 H ATOM 43456 OH2 TIP3 6166 75.501 9.179 53.348 1.00 0.00 WT3 O ATOM 43457 H1 TIP3 6166 75.750 8.303 53.642 1.00 0.00 WT3 H ATOM 43458 H2 TIP3 6166 76.315 9.561 53.018 1.00 0.00 WT3 H ATOM 43459 OH2 TIP3 6174 90.236 47.709 11.923 1.00 0.00 WT3 O ATOM 43460 H1 TIP3 6174 90.444 46.853 12.297 1.00 0.00 WT3 H ATOM 43461 H2 TIP3 6174 90.923 48.288 12.251 1.00 0.00 WT3 H ATOM 43462 OH2 TIP3 6176 88.723 3.686 -8.542 1.00 0.00 WT3 O ATOM 43463 H1 TIP3 6176 88.357 3.188 -7.812 1.00 0.00 WT3 H ATOM 43464 H2 TIP3 6176 87.996 4.224 -8.854 1.00 0.00 WT3 H ATOM 43465 OH2 TIP3 6177 81.690 30.451 30.004 1.00 0.00 WT3 O ATOM 43466 H1 TIP3 6177 80.828 30.158 30.299 1.00 0.00 WT3 H ATOM 43467 H2 TIP3 6177 82.006 31.016 30.709 1.00 0.00 WT3 H ATOM 43468 OH2 TIP3 6178 39.392 76.870 3.892 1.00 0.00 WT3 O ATOM 43469 H1 TIP3 6178 40.344 76.944 3.818 1.00 0.00 WT3 H ATOM 43470 H2 TIP3 6178 39.211 75.943 3.739 1.00 0.00 WT3 H ATOM 43471 OH2 TIP3 6179 48.796 50.681 36.117 1.00 0.00 WT3 O ATOM 43472 H1 TIP3 6179 49.614 50.975 35.717 1.00 0.00 WT3 H ATOM 43473 H2 TIP3 6179 48.256 50.399 35.378 1.00 0.00 WT3 H ATOM 43474 OH2 TIP3 6181 47.701 35.900 14.910 1.00 0.00 WT3 O ATOM 43475 H1 TIP3 6181 47.334 35.914 15.794 1.00 0.00 WT3 H ATOM 43476 H2 TIP3 6181 47.131 35.305 14.424 1.00 0.00 WT3 H ATOM 43477 OH2 TIP3 6183 52.106 35.231 -4.566 1.00 0.00 WT3 O ATOM 43478 H1 TIP3 6183 52.961 35.582 -4.315 1.00 0.00 WT3 H ATOM 43479 H2 TIP3 6183 51.914 35.646 -5.407 1.00 0.00 WT3 H ATOM 43480 OH2 TIP3 6189 73.149 72.899 51.216 1.00 0.00 WT3 O ATOM 43481 H1 TIP3 6189 73.817 72.276 50.928 1.00 0.00 WT3 H ATOM 43482 H2 TIP3 6189 72.576 73.005 50.457 1.00 0.00 WT3 H ATOM 43483 OH2 TIP3 6192 27.356 6.610 60.033 1.00 0.00 WT3 O ATOM 43484 H1 TIP3 6192 27.095 7.525 59.934 1.00 0.00 WT3 H ATOM 43485 H2 TIP3 6192 28.130 6.520 59.477 1.00 0.00 WT3 H ATOM 43486 OH2 TIP3 6194 63.894 74.537 39.276 1.00 0.00 WT3 O ATOM 43487 H1 TIP3 6194 63.244 74.002 38.822 1.00 0.00 WT3 H ATOM 43488 H2 TIP3 6194 64.659 73.967 39.359 1.00 0.00 WT3 H ATOM 43489 OH2 TIP3 6195 74.169 18.949 -18.801 1.00 0.00 WT3 O ATOM 43490 H1 TIP3 6195 74.030 18.217 -19.402 1.00 0.00 WT3 H ATOM 43491 H2 TIP3 6195 73.357 19.454 -18.845 1.00 0.00 WT3 H ATOM 43492 OH2 TIP3 6198 48.476 34.551 -3.412 1.00 0.00 WT3 O ATOM 43493 H1 TIP3 6198 49.017 35.111 -2.855 1.00 0.00 WT3 H ATOM 43494 H2 TIP3 6198 48.420 35.022 -4.244 1.00 0.00 WT3 H ATOM 43495 OH2 TIP3 6199 39.119 47.645 32.837 1.00 0.00 WT3 O ATOM 43496 H1 TIP3 6199 39.479 47.319 32.012 1.00 0.00 WT3 H ATOM 43497 H2 TIP3 6199 39.884 47.785 33.394 1.00 0.00 WT3 H ATOM 43498 OH2 TIP3 6200 83.201 62.671 -16.950 1.00 0.00 WT3 O ATOM 43499 H1 TIP3 6200 83.025 61.867 -16.460 1.00 0.00 WT3 H ATOM 43500 H2 TIP3 6200 83.157 63.366 -16.294 1.00 0.00 WT3 H ATOM 43501 OH2 TIP3 6202 41.171 15.285 63.440 1.00 0.00 WT3 O ATOM 43502 H1 TIP3 6202 40.898 16.174 63.666 1.00 0.00 WT3 H ATOM 43503 H2 TIP3 6202 41.211 15.282 62.483 1.00 0.00 WT3 H ATOM 43504 OH2 TIP3 6203 71.406 28.945 -3.830 1.00 0.00 WT3 O ATOM 43505 H1 TIP3 6203 70.541 28.579 -3.642 1.00 0.00 WT3 H ATOM 43506 H2 TIP3 6203 71.727 29.248 -2.981 1.00 0.00 WT3 H ATOM 43507 OH2 TIP3 6205 85.520 82.997 62.783 1.00 0.00 WT3 O ATOM 43508 H1 TIP3 6205 85.017 82.367 63.298 1.00 0.00 WT3 H ATOM 43509 H2 TIP3 6205 85.466 82.671 61.885 1.00 0.00 WT3 H ATOM 43510 OH2 TIP3 6207 69.991 51.481 -6.071 1.00 0.00 WT3 O ATOM 43511 H1 TIP3 6207 69.536 50.641 -6.120 1.00 0.00 WT3 H ATOM 43512 H2 TIP3 6207 69.519 51.972 -5.400 1.00 0.00 WT3 H ATOM 43513 OH2 TIP3 6212 77.423 83.422 12.330 1.00 0.00 WT3 O ATOM 43514 H1 TIP3 6212 78.042 84.125 12.526 1.00 0.00 WT3 H ATOM 43515 H2 TIP3 6212 77.959 82.630 12.300 1.00 0.00 WT3 H ATOM 43516 OH2 TIP3 6213 62.751 89.395 39.765 1.00 0.00 WT3 O ATOM 43517 H1 TIP3 6213 63.280 89.191 38.994 1.00 0.00 WT3 H ATOM 43518 H2 TIP3 6213 62.144 88.658 39.841 1.00 0.00 WT3 H ATOM 43519 OH2 TIP3 6214 33.150 88.954 21.061 1.00 0.00 WT3 O ATOM 43520 H1 TIP3 6214 33.540 89.821 20.951 1.00 0.00 WT3 H ATOM 43521 H2 TIP3 6214 33.605 88.404 20.422 1.00 0.00 WT3 H ATOM 43522 OH2 TIP3 6215 66.348 55.424 -15.129 1.00 0.00 WT3 O ATOM 43523 H1 TIP3 6215 66.815 56.259 -15.137 1.00 0.00 WT3 H ATOM 43524 H2 TIP3 6215 66.208 55.217 -16.053 1.00 0.00 WT3 H ATOM 43525 OH2 TIP3 6216 64.133 45.297 48.012 1.00 0.00 WT3 O ATOM 43526 H1 TIP3 6216 64.621 44.954 47.263 1.00 0.00 WT3 H ATOM 43527 H2 TIP3 6216 63.243 45.421 47.682 1.00 0.00 WT3 H ATOM 43528 OH2 TIP3 6217 87.398 93.007 -6.113 1.00 0.00 WT3 O ATOM 43529 H1 TIP3 6217 87.551 92.331 -6.774 1.00 0.00 WT3 H ATOM 43530 H2 TIP3 6217 86.754 93.592 -6.513 1.00 0.00 WT3 H ATOM 43531 OH2 TIP3 6218 66.872 82.013 -3.257 1.00 0.00 WT3 O ATOM 43532 H1 TIP3 6218 66.529 82.486 -4.015 1.00 0.00 WT3 H ATOM 43533 H2 TIP3 6218 67.210 81.194 -3.618 1.00 0.00 WT3 H ATOM 43534 OH2 TIP3 6219 89.991 56.820 66.431 1.00 0.00 WT3 O ATOM 43535 H1 TIP3 6219 89.754 57.695 66.739 1.00 0.00 WT3 H ATOM 43536 H2 TIP3 6219 89.357 56.629 65.739 1.00 0.00 WT3 H ATOM 43537 OH2 TIP3 6220 83.983 51.415 21.963 1.00 0.00 WT3 O ATOM 43538 H1 TIP3 6220 83.339 50.803 22.318 1.00 0.00 WT3 H ATOM 43539 H2 TIP3 6220 83.724 52.267 22.315 1.00 0.00 WT3 H ATOM 43540 OH2 TIP3 6221 75.527 44.381 60.736 1.00 0.00 WT3 O ATOM 43541 H1 TIP3 6221 75.089 45.117 60.309 1.00 0.00 WT3 H ATOM 43542 H2 TIP3 6221 75.404 43.647 60.134 1.00 0.00 WT3 H ATOM 43543 OH2 TIP3 6223 26.457 91.021 10.420 1.00 0.00 WT3 O ATOM 43544 H1 TIP3 6223 26.183 91.010 11.337 1.00 0.00 WT3 H ATOM 43545 H2 TIP3 6223 26.595 90.099 10.200 1.00 0.00 WT3 H ATOM 43546 OH2 TIP3 6224 72.639 59.229 20.000 1.00 0.00 WT3 O ATOM 43547 H1 TIP3 6224 72.057 59.578 20.674 1.00 0.00 WT3 H ATOM 43548 H2 TIP3 6224 72.067 58.713 19.432 1.00 0.00 WT3 H ATOM 43549 OH2 TIP3 6225 67.417 54.564 28.397 1.00 0.00 WT3 O ATOM 43550 H1 TIP3 6225 66.667 54.481 27.808 1.00 0.00 WT3 H ATOM 43551 H2 TIP3 6225 67.269 55.389 28.860 1.00 0.00 WT3 H ATOM 43552 OH2 TIP3 6227 78.030 43.144 28.027 1.00 0.00 WT3 O ATOM 43553 H1 TIP3 6227 78.949 43.297 28.248 1.00 0.00 WT3 H ATOM 43554 H2 TIP3 6227 78.026 42.290 27.595 1.00 0.00 WT3 H ATOM 43555 OH2 TIP3 6230 82.321 73.809 13.847 1.00 0.00 WT3 O ATOM 43556 H1 TIP3 6230 83.025 73.984 14.472 1.00 0.00 WT3 H ATOM 43557 H2 TIP3 6230 81.968 74.673 13.635 1.00 0.00 WT3 H ATOM 43558 OH2 TIP3 6231 60.626 91.113 24.981 1.00 0.00 WT3 O ATOM 43559 H1 TIP3 6231 59.839 90.762 25.398 1.00 0.00 WT3 H ATOM 43560 H2 TIP3 6231 61.024 90.359 24.545 1.00 0.00 WT3 H ATOM 43561 OH2 TIP3 6232 89.099 72.258 49.669 1.00 0.00 WT3 O ATOM 43562 H1 TIP3 6232 88.759 71.453 49.280 1.00 0.00 WT3 H ATOM 43563 H2 TIP3 6232 88.998 72.131 50.612 1.00 0.00 WT3 H ATOM 43564 OH2 TIP3 6233 34.363 71.534 -8.179 1.00 0.00 WT3 O ATOM 43565 H1 TIP3 6233 34.359 72.422 -8.537 1.00 0.00 WT3 H ATOM 43566 H2 TIP3 6233 34.172 70.972 -8.929 1.00 0.00 WT3 H ATOM 43567 OH2 TIP3 6235 39.793 81.328 60.907 1.00 0.00 WT3 O ATOM 43568 H1 TIP3 6235 39.335 80.821 60.237 1.00 0.00 WT3 H ATOM 43569 H2 TIP3 6235 40.218 80.670 61.457 1.00 0.00 WT3 H ATOM 43570 OH2 TIP3 6236 81.709 85.980 19.622 1.00 0.00 WT3 O ATOM 43571 H1 TIP3 6236 82.194 85.869 20.440 1.00 0.00 WT3 H ATOM 43572 H2 TIP3 6236 80.789 85.967 19.884 1.00 0.00 WT3 H ATOM 43573 OH2 TIP3 6237 73.953 18.011 5.948 1.00 0.00 WT3 O ATOM 43574 H1 TIP3 6237 74.032 18.047 6.901 1.00 0.00 WT3 H ATOM 43575 H2 TIP3 6237 74.457 18.763 5.637 1.00 0.00 WT3 H ATOM 43576 OH2 TIP3 6238 36.143 38.799 47.825 1.00 0.00 WT3 O ATOM 43577 H1 TIP3 6238 36.667 38.021 48.016 1.00 0.00 WT3 H ATOM 43578 H2 TIP3 6238 36.649 39.273 47.164 1.00 0.00 WT3 H ATOM 43579 OH2 TIP3 6240 71.157 95.621 55.386 1.00 0.00 WT3 O ATOM 43580 H1 TIP3 6240 71.998 95.169 55.320 1.00 0.00 WT3 H ATOM 43581 H2 TIP3 6240 71.205 96.314 54.728 1.00 0.00 WT3 H ATOM 43582 OH2 TIP3 6241 80.946 1.175 11.714 1.00 0.00 WT3 O ATOM 43583 H1 TIP3 6241 81.059 0.226 11.652 1.00 0.00 WT3 H ATOM 43584 H2 TIP3 6241 81.752 1.537 11.347 1.00 0.00 WT3 H ATOM 43585 OH2 TIP3 6242 25.938 35.148 13.247 1.00 0.00 WT3 O ATOM 43586 H1 TIP3 6242 26.801 34.743 13.332 1.00 0.00 WT3 H ATOM 43587 H2 TIP3 6242 25.962 35.591 12.399 1.00 0.00 WT3 H ATOM 43588 OH2 TIP3 6243 50.725 68.159 53.607 1.00 0.00 WT3 O ATOM 43589 H1 TIP3 6243 50.888 69.001 53.183 1.00 0.00 WT3 H ATOM 43590 H2 TIP3 6243 49.829 67.934 53.357 1.00 0.00 WT3 H ATOM 43591 OH2 TIP3 6245 78.775 89.501 39.620 1.00 0.00 WT3 O ATOM 43592 H1 TIP3 6245 77.865 89.203 39.645 1.00 0.00 WT3 H ATOM 43593 H2 TIP3 6245 78.735 90.417 39.894 1.00 0.00 WT3 H ATOM 43594 OH2 TIP3 6246 50.534 8.953 14.357 1.00 0.00 WT3 O ATOM 43595 H1 TIP3 6246 51.333 9.146 13.867 1.00 0.00 WT3 H ATOM 43596 H2 TIP3 6246 50.001 8.436 13.753 1.00 0.00 WT3 H ATOM 43597 OH2 TIP3 6247 35.395 72.553 31.714 1.00 0.00 WT3 O ATOM 43598 H1 TIP3 6247 36.138 72.972 32.148 1.00 0.00 WT3 H ATOM 43599 H2 TIP3 6247 35.793 71.918 31.118 1.00 0.00 WT3 H ATOM 43600 OH2 TIP3 6248 37.209 68.697 62.805 1.00 0.00 WT3 O ATOM 43601 H1 TIP3 6248 37.448 69.606 62.985 1.00 0.00 WT3 H ATOM 43602 H2 TIP3 6248 36.511 68.758 62.152 1.00 0.00 WT3 H ATOM 43603 OH2 TIP3 6249 26.331 23.493 -5.942 1.00 0.00 WT3 O ATOM 43604 H1 TIP3 6249 25.698 23.038 -5.387 1.00 0.00 WT3 H ATOM 43605 H2 TIP3 6249 27.184 23.180 -5.640 1.00 0.00 WT3 H ATOM 43606 OH2 TIP3 6250 81.917 24.628 4.956 1.00 0.00 WT3 O ATOM 43607 H1 TIP3 6250 82.542 25.278 4.635 1.00 0.00 WT3 H ATOM 43608 H2 TIP3 6250 81.115 25.126 5.117 1.00 0.00 WT3 H ATOM 43609 OH2 TIP3 6251 73.869 82.337 10.325 1.00 0.00 WT3 O ATOM 43610 H1 TIP3 6251 73.811 81.983 9.438 1.00 0.00 WT3 H ATOM 43611 H2 TIP3 6251 72.959 82.410 10.614 1.00 0.00 WT3 H ATOM 43612 OH2 TIP3 6253 87.169 23.691 33.156 1.00 0.00 WT3 O ATOM 43613 H1 TIP3 6253 87.981 23.448 32.711 1.00 0.00 WT3 H ATOM 43614 H2 TIP3 6253 86.776 24.356 32.591 1.00 0.00 WT3 H ATOM 43615 OH2 TIP3 6254 70.405 35.154 20.217 1.00 0.00 WT3 O ATOM 43616 H1 TIP3 6254 70.394 34.428 19.593 1.00 0.00 WT3 H ATOM 43617 H2 TIP3 6254 69.496 35.237 20.505 1.00 0.00 WT3 H ATOM 43618 OH2 TIP3 6255 22.394 86.794 8.220 1.00 0.00 WT3 O ATOM 43619 H1 TIP3 6255 22.206 86.306 9.021 1.00 0.00 WT3 H ATOM 43620 H2 TIP3 6255 22.123 86.208 7.513 1.00 0.00 WT3 H ATOM 43621 OH2 TIP3 6256 62.834 22.387 63.100 1.00 0.00 WT3 O ATOM 43622 H1 TIP3 6256 63.261 22.059 63.892 1.00 0.00 WT3 H ATOM 43623 H2 TIP3 6256 63.532 22.412 62.444 1.00 0.00 WT3 H ATOM 43624 OH2 TIP3 6257 76.334 60.165 4.375 1.00 0.00 WT3 O ATOM 43625 H1 TIP3 6257 76.731 59.630 5.063 1.00 0.00 WT3 H ATOM 43626 H2 TIP3 6257 76.527 61.067 4.631 1.00 0.00 WT3 H ATOM 43627 OH2 TIP3 6258 66.358 77.145 2.860 1.00 0.00 WT3 O ATOM 43628 H1 TIP3 6258 65.956 76.996 2.004 1.00 0.00 WT3 H ATOM 43629 H2 TIP3 6258 66.560 76.268 3.187 1.00 0.00 WT3 H ATOM 43630 OH2 TIP3 6260 59.447 72.618 -16.361 1.00 0.00 WT3 O ATOM 43631 H1 TIP3 6260 59.232 72.246 -15.506 1.00 0.00 WT3 H ATOM 43632 H2 TIP3 6260 60.103 72.023 -16.724 1.00 0.00 WT3 H ATOM 43633 OH2 TIP3 6261 64.671 81.691 29.139 1.00 0.00 WT3 O ATOM 43634 H1 TIP3 6261 65.436 81.322 28.698 1.00 0.00 WT3 H ATOM 43635 H2 TIP3 6261 64.201 80.930 29.483 1.00 0.00 WT3 H ATOM 43636 OH2 TIP3 6263 24.709 2.822 -7.589 1.00 0.00 WT3 O ATOM 43637 H1 TIP3 6263 25.395 2.155 -7.599 1.00 0.00 WT3 H ATOM 43638 H2 TIP3 6263 25.049 3.524 -8.145 1.00 0.00 WT3 H ATOM 43639 OH2 TIP3 6264 70.233 9.022 0.983 1.00 0.00 WT3 O ATOM 43640 H1 TIP3 6264 69.663 9.452 1.621 1.00 0.00 WT3 H ATOM 43641 H2 TIP3 6264 70.561 8.246 1.438 1.00 0.00 WT3 H ATOM 43642 OH2 TIP3 6266 70.727 36.404 -11.306 1.00 0.00 WT3 O ATOM 43643 H1 TIP3 6266 70.259 35.642 -11.648 1.00 0.00 WT3 H ATOM 43644 H2 TIP3 6266 71.636 36.113 -11.230 1.00 0.00 WT3 H ATOM 43645 OH2 TIP3 6268 61.203 95.552 7.104 1.00 0.00 WT3 O ATOM 43646 H1 TIP3 6268 61.700 95.638 6.290 1.00 0.00 WT3 H ATOM 43647 H2 TIP3 6268 61.793 95.088 7.698 1.00 0.00 WT3 H ATOM 43648 OH2 TIP3 6269 53.181 25.471 -13.043 1.00 0.00 WT3 O ATOM 43649 H1 TIP3 6269 54.001 25.950 -12.923 1.00 0.00 WT3 H ATOM 43650 H2 TIP3 6269 52.505 26.070 -12.727 1.00 0.00 WT3 H ATOM 43651 OH2 TIP3 6270 67.739 38.171 35.247 1.00 0.00 WT3 O ATOM 43652 H1 TIP3 6270 67.876 38.362 34.320 1.00 0.00 WT3 H ATOM 43653 H2 TIP3 6270 66.924 38.623 35.467 1.00 0.00 WT3 H ATOM 43654 OH2 TIP3 6271 23.438 25.307 29.716 1.00 0.00 WT3 O ATOM 43655 H1 TIP3 6271 22.521 25.542 29.572 1.00 0.00 WT3 H ATOM 43656 H2 TIP3 6271 23.858 25.450 28.868 1.00 0.00 WT3 H ATOM 43657 OH2 TIP3 6272 29.781 17.574 -11.058 1.00 0.00 WT3 O ATOM 43658 H1 TIP3 6272 29.164 17.690 -10.335 1.00 0.00 WT3 H ATOM 43659 H2 TIP3 6272 29.246 17.664 -11.847 1.00 0.00 WT3 H ATOM 43660 OH2 TIP3 6273 31.193 34.935 44.930 1.00 0.00 WT3 O ATOM 43661 H1 TIP3 6273 31.772 34.607 45.618 1.00 0.00 WT3 H ATOM 43662 H2 TIP3 6273 31.694 35.631 44.505 1.00 0.00 WT3 H ATOM 43663 OH2 TIP3 6274 83.343 5.394 2.646 1.00 0.00 WT3 O ATOM 43664 H1 TIP3 6274 83.505 4.453 2.713 1.00 0.00 WT3 H ATOM 43665 H2 TIP3 6274 82.517 5.462 2.167 1.00 0.00 WT3 H ATOM 43666 OH2 TIP3 6275 79.743 67.220 4.326 1.00 0.00 WT3 O ATOM 43667 H1 TIP3 6275 79.747 66.846 3.445 1.00 0.00 WT3 H ATOM 43668 H2 TIP3 6275 80.602 67.633 4.415 1.00 0.00 WT3 H ATOM 43669 OH2 TIP3 6276 55.003 95.247 -5.185 1.00 0.00 WT3 O ATOM 43670 H1 TIP3 6276 55.210 96.163 -5.001 1.00 0.00 WT3 H ATOM 43671 H2 TIP3 6276 54.425 95.280 -5.948 1.00 0.00 WT3 H ATOM 43672 OH2 TIP3 6277 38.452 49.729 49.495 1.00 0.00 WT3 O ATOM 43673 H1 TIP3 6277 39.383 49.825 49.696 1.00 0.00 WT3 H ATOM 43674 H2 TIP3 6277 38.099 50.616 49.563 1.00 0.00 WT3 H ATOM 43675 OH2 TIP3 6278 83.168 71.220 34.048 1.00 0.00 WT3 O ATOM 43676 H1 TIP3 6278 83.473 71.868 33.412 1.00 0.00 WT3 H ATOM 43677 H2 TIP3 6278 82.265 71.035 33.789 1.00 0.00 WT3 H ATOM 43678 OH2 TIP3 6279 64.973 12.121 28.561 1.00 0.00 WT3 O ATOM 43679 H1 TIP3 6279 65.551 12.349 29.289 1.00 0.00 WT3 H ATOM 43680 H2 TIP3 6279 64.111 12.439 28.830 1.00 0.00 WT3 H ATOM 43681 OH2 TIP3 6280 66.109 78.459 29.505 1.00 0.00 WT3 O ATOM 43682 H1 TIP3 6280 65.767 77.953 28.768 1.00 0.00 WT3 H ATOM 43683 H2 TIP3 6280 67.051 78.288 29.496 1.00 0.00 WT3 H ATOM 43684 OH2 TIP3 6281 89.013 84.651 45.102 1.00 0.00 WT3 O ATOM 43685 H1 TIP3 6281 88.982 85.465 45.603 1.00 0.00 WT3 H ATOM 43686 H2 TIP3 6281 88.375 84.778 44.399 1.00 0.00 WT3 H ATOM 43687 OH2 TIP3 6282 79.749 56.225 20.941 1.00 0.00 WT3 O ATOM 43688 H1 TIP3 6282 79.719 56.498 20.024 1.00 0.00 WT3 H ATOM 43689 H2 TIP3 6282 78.831 56.180 21.208 1.00 0.00 WT3 H ATOM 43690 OH2 TIP3 6283 52.610 67.812 41.516 1.00 0.00 WT3 O ATOM 43691 H1 TIP3 6283 52.376 66.944 41.189 1.00 0.00 WT3 H ATOM 43692 H2 TIP3 6283 53.520 67.933 41.247 1.00 0.00 WT3 H ATOM 43693 OH2 TIP3 6284 64.624 35.580 44.871 1.00 0.00 WT3 O ATOM 43694 H1 TIP3 6284 64.186 35.214 44.103 1.00 0.00 WT3 H ATOM 43695 H2 TIP3 6284 65.550 35.378 44.739 1.00 0.00 WT3 H ATOM 43696 OH2 TIP3 6285 58.439 14.583 -19.392 1.00 0.00 WT3 O ATOM 43697 H1 TIP3 6285 58.556 15.365 -18.853 1.00 0.00 WT3 H ATOM 43698 H2 TIP3 6285 57.662 14.770 -19.920 1.00 0.00 WT3 H ATOM 43699 OH2 TIP3 6286 70.149 71.776 62.896 1.00 0.00 WT3 O ATOM 43700 H1 TIP3 6286 69.388 72.317 63.108 1.00 0.00 WT3 H ATOM 43701 H2 TIP3 6286 70.413 72.065 62.022 1.00 0.00 WT3 H ATOM 43702 OH2 TIP3 6287 28.015 49.164 -8.652 1.00 0.00 WT3 O ATOM 43703 H1 TIP3 6287 28.253 50.086 -8.553 1.00 0.00 WT3 H ATOM 43704 H2 TIP3 6287 27.156 49.182 -9.074 1.00 0.00 WT3 H ATOM 43705 OH2 TIP3 6288 32.806 13.403 63.516 1.00 0.00 WT3 O ATOM 43706 H1 TIP3 6288 32.674 13.777 64.388 1.00 0.00 WT3 H ATOM 43707 H2 TIP3 6288 33.638 12.934 63.580 1.00 0.00 WT3 H ATOM 43708 OH2 TIP3 6289 75.979 10.826 1.128 1.00 0.00 WT3 O ATOM 43709 H1 TIP3 6289 76.003 11.638 0.621 1.00 0.00 WT3 H ATOM 43710 H2 TIP3 6289 76.704 10.908 1.747 1.00 0.00 WT3 H ATOM 43711 OH2 TIP3 6290 21.680 93.885 -3.702 1.00 0.00 WT3 O ATOM 43712 H1 TIP3 6290 21.855 93.230 -3.027 1.00 0.00 WT3 H ATOM 43713 H2 TIP3 6290 21.296 94.622 -3.228 1.00 0.00 WT3 H ATOM 43714 OH2 TIP3 6292 79.459 5.883 54.612 1.00 0.00 WT3 O ATOM 43715 H1 TIP3 6292 80.386 5.801 54.388 1.00 0.00 WT3 H ATOM 43716 H2 TIP3 6292 78.997 5.494 53.869 1.00 0.00 WT3 H ATOM 43717 OH2 TIP3 6295 84.439 75.447 34.367 1.00 0.00 WT3 O ATOM 43718 H1 TIP3 6295 83.922 75.089 35.089 1.00 0.00 WT3 H ATOM 43719 H2 TIP3 6295 84.332 76.395 34.442 1.00 0.00 WT3 H ATOM 43720 OH2 TIP3 6296 27.686 44.459 8.197 1.00 0.00 WT3 O ATOM 43721 H1 TIP3 6296 28.201 45.144 7.771 1.00 0.00 WT3 H ATOM 43722 H2 TIP3 6296 28.330 43.800 8.456 1.00 0.00 WT3 H ATOM 43723 OH2 TIP3 6297 21.803 92.218 50.694 1.00 0.00 WT3 O ATOM 43724 H1 TIP3 6297 21.027 91.718 50.948 1.00 0.00 WT3 H ATOM 43725 H2 TIP3 6297 22.071 92.670 51.494 1.00 0.00 WT3 H ATOM 43726 OH2 TIP3 6298 40.992 82.537 15.434 1.00 0.00 WT3 O ATOM 43727 H1 TIP3 6298 41.056 82.596 16.387 1.00 0.00 WT3 H ATOM 43728 H2 TIP3 6298 40.252 81.949 15.279 1.00 0.00 WT3 H ATOM 43729 OH2 TIP3 6299 33.140 31.507 54.938 1.00 0.00 WT3 O ATOM 43730 H1 TIP3 6299 32.936 31.921 54.099 1.00 0.00 WT3 H ATOM 43731 H2 TIP3 6299 33.755 32.107 55.359 1.00 0.00 WT3 H ATOM 43732 OH2 TIP3 6300 39.312 96.165 59.786 1.00 0.00 WT3 O ATOM 43733 H1 TIP3 6300 38.969 95.686 60.541 1.00 0.00 WT3 H ATOM 43734 H2 TIP3 6300 39.036 95.648 59.029 1.00 0.00 WT3 H ATOM 43735 OH2 TIP3 6301 70.129 76.503 11.861 1.00 0.00 WT3 O ATOM 43736 H1 TIP3 6301 69.554 75.751 11.727 1.00 0.00 WT3 H ATOM 43737 H2 TIP3 6301 69.558 77.181 12.224 1.00 0.00 WT3 H ATOM 43738 OH2 TIP3 6303 68.747 88.419 -0.393 1.00 0.00 WT3 O ATOM 43739 H1 TIP3 6303 69.209 89.178 -0.750 1.00 0.00 WT3 H ATOM 43740 H2 TIP3 6303 69.419 87.934 0.087 1.00 0.00 WT3 H ATOM 43741 OH2 TIP3 6304 63.059 59.593 -16.146 1.00 0.00 WT3 O ATOM 43742 H1 TIP3 6304 63.098 60.512 -15.882 1.00 0.00 WT3 H ATOM 43743 H2 TIP3 6304 62.150 59.459 -16.414 1.00 0.00 WT3 H ATOM 43744 OH2 TIP3 6305 53.194 68.647 2.596 1.00 0.00 WT3 O ATOM 43745 H1 TIP3 6305 53.345 67.707 2.492 1.00 0.00 WT3 H ATOM 43746 H2 TIP3 6305 52.446 68.705 3.191 1.00 0.00 WT3 H ATOM 43747 OH2 TIP3 6307 54.697 15.510 8.558 1.00 0.00 WT3 O ATOM 43748 H1 TIP3 6307 54.566 15.410 9.501 1.00 0.00 WT3 H ATOM 43749 H2 TIP3 6307 53.836 15.758 8.222 1.00 0.00 WT3 H ATOM 43750 OH2 TIP3 6308 46.492 41.188 13.218 1.00 0.00 WT3 O ATOM 43751 H1 TIP3 6308 45.593 40.874 13.314 1.00 0.00 WT3 H ATOM 43752 H2 TIP3 6308 47.034 40.460 13.522 1.00 0.00 WT3 H ATOM 43753 OH2 TIP3 6309 70.950 94.048 -18.152 1.00 0.00 WT3 O ATOM 43754 H1 TIP3 6309 71.839 94.369 -18.002 1.00 0.00 WT3 H ATOM 43755 H2 TIP3 6309 70.384 94.727 -17.785 1.00 0.00 WT3 H ATOM 43756 OH2 TIP3 6311 72.355 93.911 24.037 1.00 0.00 WT3 O ATOM 43757 H1 TIP3 6311 72.269 92.991 24.285 1.00 0.00 WT3 H ATOM 43758 H2 TIP3 6311 71.554 94.103 23.548 1.00 0.00 WT3 H ATOM 43759 OH2 TIP3 6312 34.177 77.088 63.470 1.00 0.00 WT3 O ATOM 43760 H1 TIP3 6312 34.773 77.043 64.218 1.00 0.00 WT3 H ATOM 43761 H2 TIP3 6312 33.435 77.605 63.785 1.00 0.00 WT3 H ATOM 43762 OH2 TIP3 6313 81.884 91.893 40.830 1.00 0.00 WT3 O ATOM 43763 H1 TIP3 6313 81.975 91.488 39.968 1.00 0.00 WT3 H ATOM 43764 H2 TIP3 6313 82.633 91.567 41.329 1.00 0.00 WT3 H ATOM 43765 OH2 TIP3 6317 41.363 69.731 30.750 1.00 0.00 WT3 O ATOM 43766 H1 TIP3 6317 42.044 70.014 30.138 1.00 0.00 WT3 H ATOM 43767 H2 TIP3 6317 41.538 70.227 31.549 1.00 0.00 WT3 H ATOM 43768 OH2 TIP3 6318 86.786 54.987 45.123 1.00 0.00 WT3 O ATOM 43769 H1 TIP3 6318 87.603 54.527 45.313 1.00 0.00 WT3 H ATOM 43770 H2 TIP3 6318 87.026 55.914 45.127 1.00 0.00 WT3 H ATOM 43771 OH2 TIP3 6319 39.800 93.053 59.197 1.00 0.00 WT3 O ATOM 43772 H1 TIP3 6319 40.328 92.442 58.683 1.00 0.00 WT3 H ATOM 43773 H2 TIP3 6319 39.507 93.709 58.564 1.00 0.00 WT3 H ATOM 43774 OH2 TIP3 6320 62.584 86.774 -0.484 1.00 0.00 WT3 O ATOM 43775 H1 TIP3 6320 63.224 86.314 0.060 1.00 0.00 WT3 H ATOM 43776 H2 TIP3 6320 63.111 87.350 -1.038 1.00 0.00 WT3 H ATOM 43777 OH2 TIP3 6321 88.343 92.685 33.427 1.00 0.00 WT3 O ATOM 43778 H1 TIP3 6321 87.909 91.833 33.386 1.00 0.00 WT3 H ATOM 43779 H2 TIP3 6321 89.198 92.501 33.817 1.00 0.00 WT3 H ATOM 43780 OH2 TIP3 6323 25.648 38.627 5.709 1.00 0.00 WT3 O ATOM 43781 H1 TIP3 6323 26.331 38.023 6.001 1.00 0.00 WT3 H ATOM 43782 H2 TIP3 6323 25.269 38.971 6.518 1.00 0.00 WT3 H ATOM 43783 OH2 TIP3 6325 85.564 65.031 34.782 1.00 0.00 WT3 O ATOM 43784 H1 TIP3 6325 84.822 64.442 34.648 1.00 0.00 WT3 H ATOM 43785 H2 TIP3 6325 85.883 65.221 33.900 1.00 0.00 WT3 H ATOM 43786 OH2 TIP3 6327 87.866 92.874 44.386 1.00 0.00 WT3 O ATOM 43787 H1 TIP3 6327 87.690 93.218 45.262 1.00 0.00 WT3 H ATOM 43788 H2 TIP3 6327 87.807 93.638 43.812 1.00 0.00 WT3 H ATOM 43789 OH2 TIP3 6328 59.509 80.316 13.745 1.00 0.00 WT3 O ATOM 43790 H1 TIP3 6328 59.093 80.274 14.605 1.00 0.00 WT3 H ATOM 43791 H2 TIP3 6328 60.447 80.343 13.933 1.00 0.00 WT3 H ATOM 43792 OH2 TIP3 6329 28.354 29.413 8.928 1.00 0.00 WT3 O ATOM 43793 H1 TIP3 6329 27.804 29.802 9.608 1.00 0.00 WT3 H ATOM 43794 H2 TIP3 6329 29.250 29.562 9.230 1.00 0.00 WT3 H ATOM 43795 OH2 TIP3 6330 45.493 90.113 49.497 1.00 0.00 WT3 O ATOM 43796 H1 TIP3 6330 44.848 90.156 50.203 1.00 0.00 WT3 H ATOM 43797 H2 TIP3 6330 46.217 89.606 49.865 1.00 0.00 WT3 H ATOM 43798 OH2 TIP3 6331 76.860 77.010 38.414 1.00 0.00 WT3 O ATOM 43799 H1 TIP3 6331 76.413 77.811 38.688 1.00 0.00 WT3 H ATOM 43800 H2 TIP3 6331 76.211 76.318 38.542 1.00 0.00 WT3 H ATOM 43801 OH2 TIP3 6332 24.536 68.107 58.885 1.00 0.00 WT3 O ATOM 43802 H1 TIP3 6332 23.630 68.035 59.185 1.00 0.00 WT3 H ATOM 43803 H2 TIP3 6332 24.465 68.237 57.939 1.00 0.00 WT3 H ATOM 43804 OH2 TIP3 6333 70.310 88.277 -4.612 1.00 0.00 WT3 O ATOM 43805 H1 TIP3 6333 70.366 87.882 -5.482 1.00 0.00 WT3 H ATOM 43806 H2 TIP3 6333 69.791 89.071 -4.742 1.00 0.00 WT3 H ATOM 43807 OH2 TIP3 6335 49.617 88.039 48.297 1.00 0.00 WT3 O ATOM 43808 H1 TIP3 6335 50.553 87.993 48.104 1.00 0.00 WT3 H ATOM 43809 H2 TIP3 6335 49.246 88.537 47.569 1.00 0.00 WT3 H ATOM 43810 OH2 TIP3 6337 84.848 48.905 23.746 1.00 0.00 WT3 O ATOM 43811 H1 TIP3 6337 84.647 48.687 22.836 1.00 0.00 WT3 H ATOM 43812 H2 TIP3 6337 84.880 48.060 24.195 1.00 0.00 WT3 H ATOM 43813 OH2 TIP3 6339 85.629 5.833 55.120 1.00 0.00 WT3 O ATOM 43814 H1 TIP3 6339 85.340 6.519 54.517 1.00 0.00 WT3 H ATOM 43815 H2 TIP3 6339 86.548 6.037 55.293 1.00 0.00 WT3 H ATOM 43816 OH2 TIP3 6340 31.278 51.906 41.840 1.00 0.00 WT3 O ATOM 43817 H1 TIP3 6340 31.459 52.538 41.145 1.00 0.00 WT3 H ATOM 43818 H2 TIP3 6340 32.122 51.774 42.271 1.00 0.00 WT3 H ATOM 43819 OH2 TIP3 6342 70.140 53.687 6.766 1.00 0.00 WT3 O ATOM 43820 H1 TIP3 6342 71.039 53.798 7.075 1.00 0.00 WT3 H ATOM 43821 H2 TIP3 6342 69.624 54.279 7.314 1.00 0.00 WT3 H ATOM 43822 OH2 TIP3 6344 66.315 56.441 30.081 1.00 0.00 WT3 O ATOM 43823 H1 TIP3 6344 65.626 55.852 30.389 1.00 0.00 WT3 H ATOM 43824 H2 TIP3 6344 66.267 57.195 30.669 1.00 0.00 WT3 H ATOM 43825 OH2 TIP3 6345 55.227 77.359 -0.843 1.00 0.00 WT3 O ATOM 43826 H1 TIP3 6345 54.324 77.047 -0.793 1.00 0.00 WT3 H ATOM 43827 H2 TIP3 6345 55.677 76.905 -0.131 1.00 0.00 WT3 H ATOM 43828 OH2 TIP3 6346 36.038 3.761 20.671 1.00 0.00 WT3 O ATOM 43829 H1 TIP3 6346 36.275 3.975 21.574 1.00 0.00 WT3 H ATOM 43830 H2 TIP3 6346 36.872 3.568 20.243 1.00 0.00 WT3 H ATOM 43831 OH2 TIP3 6347 46.991 54.492 -10.037 1.00 0.00 WT3 O ATOM 43832 H1 TIP3 6347 47.653 54.966 -10.540 1.00 0.00 WT3 H ATOM 43833 H2 TIP3 6347 47.037 54.873 -9.160 1.00 0.00 WT3 H ATOM 43834 OH2 TIP3 6348 58.210 88.106 -1.801 1.00 0.00 WT3 O ATOM 43835 H1 TIP3 6348 57.316 88.379 -2.007 1.00 0.00 WT3 H ATOM 43836 H2 TIP3 6348 58.118 87.211 -1.473 1.00 0.00 WT3 H ATOM 43837 OH2 TIP3 6349 49.455 88.768 39.332 1.00 0.00 WT3 O ATOM 43838 H1 TIP3 6349 49.498 88.012 39.918 1.00 0.00 WT3 H ATOM 43839 H2 TIP3 6349 49.983 89.438 39.767 1.00 0.00 WT3 H ATOM 43840 OH2 TIP3 6351 29.001 10.671 42.423 1.00 0.00 WT3 O ATOM 43841 H1 TIP3 6351 28.356 10.580 41.722 1.00 0.00 WT3 H ATOM 43842 H2 TIP3 6351 29.543 11.413 42.156 1.00 0.00 WT3 H ATOM 43843 OH2 TIP3 6353 20.956 18.731 -14.326 1.00 0.00 WT3 O ATOM 43844 H1 TIP3 6353 21.009 19.523 -14.861 1.00 0.00 WT3 H ATOM 43845 H2 TIP3 6353 20.674 19.041 -13.466 1.00 0.00 WT3 H ATOM 43846 OH2 TIP3 6356 27.344 25.415 29.831 1.00 0.00 WT3 O ATOM 43847 H1 TIP3 6356 27.806 24.576 29.851 1.00 0.00 WT3 H ATOM 43848 H2 TIP3 6356 27.641 25.833 29.023 1.00 0.00 WT3 H ATOM 43849 OH2 TIP3 6357 28.996 52.417 58.783 1.00 0.00 WT3 O ATOM 43850 H1 TIP3 6357 29.854 52.357 59.202 1.00 0.00 WT3 H ATOM 43851 H2 TIP3 6357 28.370 52.334 59.503 1.00 0.00 WT3 H ATOM 43852 OH2 TIP3 6359 44.245 15.425 6.272 1.00 0.00 WT3 O ATOM 43853 H1 TIP3 6359 43.771 14.970 6.968 1.00 0.00 WT3 H ATOM 43854 H2 TIP3 6359 43.575 15.938 5.821 1.00 0.00 WT3 H ATOM 43855 OH2 TIP3 6360 35.630 42.478 51.039 1.00 0.00 WT3 O ATOM 43856 H1 TIP3 6360 35.883 41.599 50.755 1.00 0.00 WT3 H ATOM 43857 H2 TIP3 6360 36.335 43.044 50.724 1.00 0.00 WT3 H ATOM 43858 OH2 TIP3 6361 51.603 60.409 -7.007 1.00 0.00 WT3 O ATOM 43859 H1 TIP3 6361 52.005 61.262 -6.843 1.00 0.00 WT3 H ATOM 43860 H2 TIP3 6361 51.840 59.882 -6.245 1.00 0.00 WT3 H ATOM 43861 OH2 TIP3 6362 57.199 77.804 17.887 1.00 0.00 WT3 O ATOM 43862 H1 TIP3 6362 56.854 78.681 18.050 1.00 0.00 WT3 H ATOM 43863 H2 TIP3 6362 57.532 77.841 16.990 1.00 0.00 WT3 H ATOM 43864 OH2 TIP3 6363 76.365 80.124 37.763 1.00 0.00 WT3 O ATOM 43865 H1 TIP3 6363 76.494 81.073 37.745 1.00 0.00 WT3 H ATOM 43866 H2 TIP3 6363 75.427 80.006 37.619 1.00 0.00 WT3 H ATOM 43867 OH2 TIP3 6364 47.747 8.635 63.900 1.00 0.00 WT3 O ATOM 43868 H1 TIP3 6364 47.607 9.568 64.062 1.00 0.00 WT3 H ATOM 43869 H2 TIP3 6364 48.043 8.288 64.742 1.00 0.00 WT3 H ATOM 43870 OH2 TIP3 6365 89.987 95.723 32.829 1.00 0.00 WT3 O ATOM 43871 H1 TIP3 6365 89.542 95.685 31.983 1.00 0.00 WT3 H ATOM 43872 H2 TIP3 6365 90.000 94.816 33.135 1.00 0.00 WT3 H ATOM 43873 OH2 TIP3 6366 23.520 6.285 -12.106 1.00 0.00 WT3 O ATOM 43874 H1 TIP3 6366 23.315 5.667 -11.404 1.00 0.00 WT3 H ATOM 43875 H2 TIP3 6366 23.411 5.779 -12.911 1.00 0.00 WT3 H ATOM 43876 OH2 TIP3 6369 35.854 76.448 -10.895 1.00 0.00 WT3 O ATOM 43877 H1 TIP3 6369 35.012 76.868 -10.721 1.00 0.00 WT3 H ATOM 43878 H2 TIP3 6369 36.324 76.497 -10.062 1.00 0.00 WT3 H ATOM 43879 OH2 TIP3 6370 61.239 41.904 37.510 1.00 0.00 WT3 O ATOM 43880 H1 TIP3 6370 62.125 42.203 37.718 1.00 0.00 WT3 H ATOM 43881 H2 TIP3 6370 61.359 41.281 36.793 1.00 0.00 WT3 H ATOM 43882 OH2 TIP3 6371 31.088 54.920 4.339 1.00 0.00 WT3 O ATOM 43883 H1 TIP3 6371 30.777 54.851 5.242 1.00 0.00 WT3 H ATOM 43884 H2 TIP3 6371 31.851 54.342 4.303 1.00 0.00 WT3 H ATOM 43885 OH2 TIP3 6372 81.104 26.059 34.277 1.00 0.00 WT3 O ATOM 43886 H1 TIP3 6372 80.945 26.725 34.946 1.00 0.00 WT3 H ATOM 43887 H2 TIP3 6372 81.667 26.493 33.636 1.00 0.00 WT3 H ATOM 43888 OH2 TIP3 6373 57.031 8.824 -2.151 1.00 0.00 WT3 O ATOM 43889 H1 TIP3 6373 56.429 8.275 -2.653 1.00 0.00 WT3 H ATOM 43890 H2 TIP3 6373 57.315 8.268 -1.425 1.00 0.00 WT3 H ATOM 43891 OH2 TIP3 6374 68.166 74.985 49.496 1.00 0.00 WT3 O ATOM 43892 H1 TIP3 6374 67.496 74.515 48.999 1.00 0.00 WT3 H ATOM 43893 H2 TIP3 6374 68.898 75.077 48.887 1.00 0.00 WT3 H ATOM 43894 OH2 TIP3 6375 44.501 78.211 -6.176 1.00 0.00 WT3 O ATOM 43895 H1 TIP3 6375 44.804 78.953 -5.653 1.00 0.00 WT3 H ATOM 43896 H2 TIP3 6375 45.195 77.557 -6.089 1.00 0.00 WT3 H ATOM 43897 OH2 TIP3 6377 86.440 88.390 19.584 1.00 0.00 WT3 O ATOM 43898 H1 TIP3 6377 87.043 88.232 18.857 1.00 0.00 WT3 H ATOM 43899 H2 TIP3 6377 86.382 87.548 20.035 1.00 0.00 WT3 H ATOM 43900 OH2 TIP3 6380 51.175 74.744 41.001 1.00 0.00 WT3 O ATOM 43901 H1 TIP3 6380 50.286 74.491 40.754 1.00 0.00 WT3 H ATOM 43902 H2 TIP3 6380 51.741 74.177 40.477 1.00 0.00 WT3 H ATOM 43903 OH2 TIP3 6381 40.827 74.135 -17.893 1.00 0.00 WT3 O ATOM 43904 H1 TIP3 6381 41.720 74.015 -18.217 1.00 0.00 WT3 H ATOM 43905 H2 TIP3 6381 40.423 73.271 -17.977 1.00 0.00 WT3 H ATOM 43906 OH2 TIP3 6384 32.265 30.833 29.981 1.00 0.00 WT3 O ATOM 43907 H1 TIP3 6384 32.637 31.048 29.126 1.00 0.00 WT3 H ATOM 43908 H2 TIP3 6384 32.349 31.640 30.489 1.00 0.00 WT3 H ATOM 43909 OH2 TIP3 6386 28.084 87.359 34.378 1.00 0.00 WT3 O ATOM 43910 H1 TIP3 6386 28.066 88.133 33.815 1.00 0.00 WT3 H ATOM 43911 H2 TIP3 6386 27.524 87.589 35.119 1.00 0.00 WT3 H ATOM 43912 OH2 TIP3 6388 67.050 31.455 12.308 1.00 0.00 WT3 O ATOM 43913 H1 TIP3 6388 66.850 32.360 12.545 1.00 0.00 WT3 H ATOM 43914 H2 TIP3 6388 66.850 31.401 11.374 1.00 0.00 WT3 H ATOM 43915 OH2 TIP3 6390 42.892 89.219 -7.540 1.00 0.00 WT3 O ATOM 43916 H1 TIP3 6390 43.289 88.643 -6.886 1.00 0.00 WT3 H ATOM 43917 H2 TIP3 6390 41.981 88.930 -7.592 1.00 0.00 WT3 H ATOM 43918 OH2 TIP3 6391 50.904 73.478 29.920 1.00 0.00 WT3 O ATOM 43919 H1 TIP3 6391 51.271 72.601 29.809 1.00 0.00 WT3 H ATOM 43920 H2 TIP3 6391 50.198 73.526 29.274 1.00 0.00 WT3 H ATOM 43921 OH2 TIP3 6393 39.326 90.936 -9.263 1.00 0.00 WT3 O ATOM 43922 H1 TIP3 6393 38.532 90.413 -9.375 1.00 0.00 WT3 H ATOM 43923 H2 TIP3 6393 40.037 90.351 -9.523 1.00 0.00 WT3 H ATOM 43924 OH2 TIP3 6395 31.252 12.888 29.264 1.00 0.00 WT3 O ATOM 43925 H1 TIP3 6395 31.953 13.004 28.622 1.00 0.00 WT3 H ATOM 43926 H2 TIP3 6395 30.829 12.068 29.013 1.00 0.00 WT3 H ATOM 43927 OH2 TIP3 6400 85.753 44.490 52.920 1.00 0.00 WT3 O ATOM 43928 H1 TIP3 6400 84.846 44.328 53.181 1.00 0.00 WT3 H ATOM 43929 H2 TIP3 6400 86.191 44.759 53.727 1.00 0.00 WT3 H ATOM 43930 OH2 TIP3 6401 39.612 95.577 63.556 1.00 0.00 WT3 O ATOM 43931 H1 TIP3 6401 39.406 94.967 62.848 1.00 0.00 WT3 H ATOM 43932 H2 TIP3 6401 39.935 95.022 64.266 1.00 0.00 WT3 H ATOM 43933 OH2 TIP3 6403 40.500 73.311 32.506 1.00 0.00 WT3 O ATOM 43934 H1 TIP3 6403 40.546 73.701 33.379 1.00 0.00 WT3 H ATOM 43935 H2 TIP3 6403 41.317 72.819 32.420 1.00 0.00 WT3 H ATOM 43936 OH2 TIP3 6411 46.250 9.054 38.678 1.00 0.00 WT3 O ATOM 43937 H1 TIP3 6411 46.535 8.162 38.876 1.00 0.00 WT3 H ATOM 43938 H2 TIP3 6411 46.970 9.430 38.173 1.00 0.00 WT3 H ATOM 43939 OH2 TIP3 6417 41.671 85.913 27.972 1.00 0.00 WT3 O ATOM 43940 H1 TIP3 6417 41.731 86.291 27.095 1.00 0.00 WT3 H ATOM 43941 H2 TIP3 6417 42.557 85.603 28.160 1.00 0.00 WT3 H ATOM 43942 OH2 TIP3 6420 79.250 5.753 -19.692 1.00 0.00 WT3 O ATOM 43943 H1 TIP3 6420 79.125 5.437 -18.798 1.00 0.00 WT3 H ATOM 43944 H2 TIP3 6420 78.401 6.123 -19.936 1.00 0.00 WT3 H ATOM 43945 OH2 TIP3 6421 88.331 3.771 1.810 1.00 0.00 WT3 O ATOM 43946 H1 TIP3 6421 87.798 4.220 2.466 1.00 0.00 WT3 H ATOM 43947 H2 TIP3 6421 88.826 3.120 2.307 1.00 0.00 WT3 H ATOM 43948 OH2 TIP3 6424 22.522 42.279 19.288 1.00 0.00 WT3 O ATOM 43949 H1 TIP3 6424 22.082 41.968 18.497 1.00 0.00 WT3 H ATOM 43950 H2 TIP3 6424 22.035 43.064 19.541 1.00 0.00 WT3 H ATOM 43951 OH2 TIP3 6428 21.801 95.588 7.630 1.00 0.00 WT3 O ATOM 43952 H1 TIP3 6428 22.115 95.667 6.729 1.00 0.00 WT3 H ATOM 43953 H2 TIP3 6428 21.297 96.388 7.780 1.00 0.00 WT3 H ATOM 43954 OH2 TIP3 6429 66.543 19.897 -10.609 1.00 0.00 WT3 O ATOM 43955 H1 TIP3 6429 67.275 20.335 -11.043 1.00 0.00 WT3 H ATOM 43956 H2 TIP3 6429 66.651 20.112 -9.682 1.00 0.00 WT3 H ATOM 43957 OH2 TIP3 6441 72.568 20.571 43.846 1.00 0.00 WT3 O ATOM 43958 H1 TIP3 6441 73.157 20.886 43.160 1.00 0.00 WT3 H ATOM 43959 H2 TIP3 6441 73.052 20.709 44.660 1.00 0.00 WT3 H ATOM 43960 OH2 TIP3 6492 65.744 3.500 50.782 1.00 0.00 WT3 O ATOM 43961 H1 TIP3 6492 65.407 3.083 51.575 1.00 0.00 WT3 H ATOM 43962 H2 TIP3 6492 65.868 4.417 51.028 1.00 0.00 WT3 H ATOM 43963 OH2 TIP3 6499 57.918 65.579 13.001 1.00 0.00 WT3 O ATOM 43964 H1 TIP3 6499 58.561 65.448 13.698 1.00 0.00 WT3 H ATOM 43965 H2 TIP3 6499 57.526 64.715 12.872 1.00 0.00 WT3 H ATOM 43966 OH2 TIP3 6536 35.032 77.196 7.097 1.00 0.00 WT3 O ATOM 43967 H1 TIP3 6536 35.871 76.785 6.888 1.00 0.00 WT3 H ATOM 43968 H2 TIP3 6536 34.703 76.702 7.848 1.00 0.00 WT3 H ATOM 43969 OH2 TIP3 6551 70.748 63.924 56.584 1.00 0.00 WT3 O ATOM 43970 H1 TIP3 6551 70.291 63.940 55.742 1.00 0.00 WT3 H ATOM 43971 H2 TIP3 6551 71.091 64.811 56.688 1.00 0.00 WT3 H ATOM 43972 OH2 TIP3 6555 79.492 42.509 65.976 1.00 0.00 WT3 O ATOM 43973 H1 TIP3 6555 78.878 42.342 66.690 1.00 0.00 WT3 H ATOM 43974 H2 TIP3 6555 79.460 41.716 65.441 1.00 0.00 WT3 H ATOM 43975 OH2 TIP3 6569 23.787 53.713 -11.169 1.00 0.00 WT3 O ATOM 43976 H1 TIP3 6569 23.043 53.737 -10.568 1.00 0.00 WT3 H ATOM 43977 H2 TIP3 6569 24.226 54.554 -11.042 1.00 0.00 WT3 H ATOM 43978 OH2 TIP3 6571 32.165 73.599 -15.148 1.00 0.00 WT3 O ATOM 43979 H1 TIP3 6571 33.054 73.251 -15.221 1.00 0.00 WT3 H ATOM 43980 H2 TIP3 6571 32.098 73.897 -14.241 1.00 0.00 WT3 H ATOM 43981 OH2 TIP3 6575 83.911 73.394 32.728 1.00 0.00 WT3 O ATOM 43982 H1 TIP3 6575 84.249 74.132 33.235 1.00 0.00 WT3 H ATOM 43983 H2 TIP3 6575 83.221 73.772 32.184 1.00 0.00 WT3 H ATOM 43984 OH2 TIP3 6579 83.498 53.358 -13.362 1.00 0.00 WT3 O ATOM 43985 H1 TIP3 6579 84.403 53.668 -13.395 1.00 0.00 WT3 H ATOM 43986 H2 TIP3 6579 83.516 52.515 -13.816 1.00 0.00 WT3 H ATOM 43987 OH2 TIP3 6592 62.875 59.635 33.369 1.00 0.00 WT3 O ATOM 43988 H1 TIP3 6592 61.983 59.976 33.311 1.00 0.00 WT3 H ATOM 43989 H2 TIP3 6592 62.930 58.984 32.670 1.00 0.00 WT3 H ATOM 43990 OH2 TIP3 6595 72.678 75.621 15.663 1.00 0.00 WT3 O ATOM 43991 H1 TIP3 6595 72.073 74.884 15.744 1.00 0.00 WT3 H ATOM 43992 H2 TIP3 6595 72.384 76.088 14.881 1.00 0.00 WT3 H ATOM 43993 OH2 TIP3 6597 32.900 53.263 45.113 1.00 0.00 WT3 O ATOM 43994 H1 TIP3 6597 32.648 53.674 45.940 1.00 0.00 WT3 H ATOM 43995 H2 TIP3 6597 33.171 53.993 44.555 1.00 0.00 WT3 H ATOM 43996 OH2 TIP3 6602 42.155 29.973 4.921 1.00 0.00 WT3 O ATOM 43997 H1 TIP3 6602 42.749 29.565 4.291 1.00 0.00 WT3 H ATOM 43998 H2 TIP3 6602 42.677 30.066 5.718 1.00 0.00 WT3 H ATOM 43999 OH2 TIP3 6603 67.910 46.996 13.809 1.00 0.00 WT3 O ATOM 44000 H1 TIP3 6603 67.569 46.294 13.255 1.00 0.00 WT3 H ATOM 44001 H2 TIP3 6603 67.186 47.212 14.396 1.00 0.00 WT3 H ATOM 44002 OH2 TIP3 6606 83.158 75.004 25.616 1.00 0.00 WT3 O ATOM 44003 H1 TIP3 6606 82.556 75.260 26.315 1.00 0.00 WT3 H ATOM 44004 H2 TIP3 6606 82.590 74.671 24.920 1.00 0.00 WT3 H ATOM 44005 OH2 TIP3 6613 63.936 64.392 57.646 1.00 0.00 WT3 O ATOM 44006 H1 TIP3 6613 63.026 64.360 57.941 1.00 0.00 WT3 H ATOM 44007 H2 TIP3 6613 64.382 63.730 58.173 1.00 0.00 WT3 H ATOM 44008 OH2 TIP3 6614 45.179 58.751 -6.858 1.00 0.00 WT3 O ATOM 44009 H1 TIP3 6614 46.121 58.847 -6.719 1.00 0.00 WT3 H ATOM 44010 H2 TIP3 6614 45.106 58.154 -7.603 1.00 0.00 WT3 H ATOM 44011 OH2 TIP3 6615 87.343 38.371 30.778 1.00 0.00 WT3 O ATOM 44012 H1 TIP3 6615 86.606 38.356 30.167 1.00 0.00 WT3 H ATOM 44013 H2 TIP3 6615 88.112 38.208 30.232 1.00 0.00 WT3 H ATOM 44014 OH2 TIP3 6616 82.645 5.805 9.880 1.00 0.00 WT3 O ATOM 44015 H1 TIP3 6616 81.889 5.430 10.331 1.00 0.00 WT3 H ATOM 44016 H2 TIP3 6616 83.390 5.294 10.194 1.00 0.00 WT3 H ATOM 44017 OH2 TIP3 6618 82.479 68.564 -5.704 1.00 0.00 WT3 O ATOM 44018 H1 TIP3 6618 81.861 68.618 -4.975 1.00 0.00 WT3 H ATOM 44019 H2 TIP3 6618 81.930 68.592 -6.487 1.00 0.00 WT3 H ATOM 44020 OH2 TIP3 6620 27.250 43.965 1.058 1.00 0.00 WT3 O ATOM 44021 H1 TIP3 6620 26.452 43.657 1.488 1.00 0.00 WT3 H ATOM 44022 H2 TIP3 6620 27.415 44.824 1.446 1.00 0.00 WT3 H ATOM 44023 OH2 TIP3 6621 43.737 85.209 -9.284 1.00 0.00 WT3 O ATOM 44024 H1 TIP3 6621 42.949 85.356 -9.806 1.00 0.00 WT3 H ATOM 44025 H2 TIP3 6621 43.444 84.659 -8.557 1.00 0.00 WT3 H ATOM 44026 OH2 TIP3 6622 75.081 43.463 10.776 1.00 0.00 WT3 O ATOM 44027 H1 TIP3 6622 74.538 43.273 10.011 1.00 0.00 WT3 H ATOM 44028 H2 TIP3 6622 74.968 42.702 11.346 1.00 0.00 WT3 H ATOM 44029 OH2 TIP3 6623 87.662 75.733 -7.179 1.00 0.00 WT3 O ATOM 44030 H1 TIP3 6623 88.126 76.546 -6.980 1.00 0.00 WT3 H ATOM 44031 H2 TIP3 6623 88.278 75.229 -7.712 1.00 0.00 WT3 H ATOM 44032 OH2 TIP3 6625 78.339 6.573 50.036 1.00 0.00 WT3 O ATOM 44033 H1 TIP3 6625 77.784 7.333 50.209 1.00 0.00 WT3 H ATOM 44034 H2 TIP3 6625 77.755 5.821 50.137 1.00 0.00 WT3 H ATOM 44035 OH2 TIP3 6627 47.981 86.536 9.046 1.00 0.00 WT3 O ATOM 44036 H1 TIP3 6627 48.271 87.347 9.462 1.00 0.00 WT3 H ATOM 44037 H2 TIP3 6627 48.722 85.938 9.144 1.00 0.00 WT3 H ATOM 44038 OH2 TIP3 6628 59.463 73.875 53.337 1.00 0.00 WT3 O ATOM 44039 H1 TIP3 6628 59.040 74.347 52.620 1.00 0.00 WT3 H ATOM 44040 H2 TIP3 6628 60.400 74.008 53.192 1.00 0.00 WT3 H ATOM 44041 OH2 TIP3 6629 34.123 73.347 -1.473 1.00 0.00 WT3 O ATOM 44042 H1 TIP3 6629 34.247 72.530 -1.956 1.00 0.00 WT3 H ATOM 44043 H2 TIP3 6629 34.988 73.551 -1.118 1.00 0.00 WT3 H ATOM 44044 OH2 TIP3 6632 68.601 9.323 14.414 1.00 0.00 WT3 O ATOM 44045 H1 TIP3 6632 69.006 10.159 14.184 1.00 0.00 WT3 H ATOM 44046 H2 TIP3 6632 67.844 9.563 14.949 1.00 0.00 WT3 H ATOM 44047 OH2 TIP3 6634 74.334 63.632 -15.515 1.00 0.00 WT3 O ATOM 44048 H1 TIP3 6634 74.739 64.480 -15.692 1.00 0.00 WT3 H ATOM 44049 H2 TIP3 6634 73.395 63.789 -15.615 1.00 0.00 WT3 H ATOM 44050 OH2 TIP3 6637 82.917 2.055 -8.436 1.00 0.00 WT3 O ATOM 44051 H1 TIP3 6637 82.379 2.642 -8.967 1.00 0.00 WT3 H ATOM 44052 H2 TIP3 6637 83.492 1.620 -9.066 1.00 0.00 WT3 H ATOM 44053 OH2 TIP3 6639 61.581 51.386 37.150 1.00 0.00 WT3 O ATOM 44054 H1 TIP3 6639 60.871 50.798 36.894 1.00 0.00 WT3 H ATOM 44055 H2 TIP3 6639 61.263 52.260 36.921 1.00 0.00 WT3 H ATOM 44056 OH2 TIP3 6640 87.961 96.107 -1.481 1.00 0.00 WT3 O ATOM 44057 H1 TIP3 6640 88.159 95.582 -0.705 1.00 0.00 WT3 H ATOM 44058 H2 TIP3 6640 88.010 97.013 -1.176 1.00 0.00 WT3 H ATOM 44059 OH2 TIP3 6641 45.976 28.980 -0.113 1.00 0.00 WT3 O ATOM 44060 H1 TIP3 6641 45.542 29.797 -0.361 1.00 0.00 WT3 H ATOM 44061 H2 TIP3 6641 46.540 29.222 0.622 1.00 0.00 WT3 H ATOM 44062 OH2 TIP3 6644 54.888 7.504 -3.195 1.00 0.00 WT3 O ATOM 44063 H1 TIP3 6644 54.674 6.593 -2.992 1.00 0.00 WT3 H ATOM 44064 H2 TIP3 6644 54.562 7.634 -4.085 1.00 0.00 WT3 H ATOM 44065 OH2 TIP3 6645 28.313 92.359 -16.708 1.00 0.00 WT3 O ATOM 44066 H1 TIP3 6645 28.096 91.448 -16.513 1.00 0.00 WT3 H ATOM 44067 H2 TIP3 6645 29.084 92.307 -17.274 1.00 0.00 WT3 H ATOM 44068 OH2 TIP3 6648 54.124 68.784 21.520 1.00 0.00 WT3 O ATOM 44069 H1 TIP3 6648 54.942 69.054 21.939 1.00 0.00 WT3 H ATOM 44070 H2 TIP3 6648 54.251 67.857 21.321 1.00 0.00 WT3 H ATOM 44071 OH2 TIP3 6649 82.433 77.087 57.708 1.00 0.00 WT3 O ATOM 44072 H1 TIP3 6649 82.017 77.474 58.479 1.00 0.00 WT3 H ATOM 44073 H2 TIP3 6649 82.151 77.641 56.980 1.00 0.00 WT3 H ATOM 44074 OH2 TIP3 6650 65.196 55.483 33.254 1.00 0.00 WT3 O ATOM 44075 H1 TIP3 6650 64.983 56.201 32.658 1.00 0.00 WT3 H ATOM 44076 H2 TIP3 6650 64.813 55.745 34.091 1.00 0.00 WT3 H ATOM 44077 OH2 TIP3 6651 68.594 63.526 41.104 1.00 0.00 WT3 O ATOM 44078 H1 TIP3 6651 68.020 64.288 41.186 1.00 0.00 WT3 H ATOM 44079 H2 TIP3 6651 68.084 62.893 40.600 1.00 0.00 WT3 H ATOM 44080 OH2 TIP3 6652 53.026 91.544 -11.383 1.00 0.00 WT3 O ATOM 44081 H1 TIP3 6652 52.571 92.081 -10.734 1.00 0.00 WT3 H ATOM 44082 H2 TIP3 6652 53.571 90.953 -10.864 1.00 0.00 WT3 H ATOM 44083 OH2 TIP3 6653 21.930 6.900 66.583 1.00 0.00 WT3 O ATOM 44084 H1 TIP3 6653 21.717 6.169 66.004 1.00 0.00 WT3 H ATOM 44085 H2 TIP3 6653 22.860 7.066 66.429 1.00 0.00 WT3 H ATOM 44086 OH2 TIP3 6655 51.390 3.945 -17.006 1.00 0.00 WT3 O ATOM 44087 H1 TIP3 6655 51.019 4.583 -16.397 1.00 0.00 WT3 H ATOM 44088 H2 TIP3 6655 50.727 3.852 -17.690 1.00 0.00 WT3 H ATOM 44089 OH2 TIP3 6658 38.442 59.513 35.943 1.00 0.00 WT3 O ATOM 44090 H1 TIP3 6658 38.630 59.401 36.875 1.00 0.00 WT3 H ATOM 44091 H2 TIP3 6658 38.861 58.763 35.522 1.00 0.00 WT3 H ATOM 44092 OH2 TIP3 6659 60.851 40.319 49.815 1.00 0.00 WT3 O ATOM 44093 H1 TIP3 6659 60.890 40.609 50.726 1.00 0.00 WT3 H ATOM 44094 H2 TIP3 6659 59.916 40.240 49.627 1.00 0.00 WT3 H ATOM 44095 OH2 TIP3 6660 41.356 10.329 49.046 1.00 0.00 WT3 O ATOM 44096 H1 TIP3 6660 40.948 10.195 49.902 1.00 0.00 WT3 H ATOM 44097 H2 TIP3 6660 41.302 11.274 48.900 1.00 0.00 WT3 H ATOM 44098 OH2 TIP3 6661 55.954 79.561 -15.440 1.00 0.00 WT3 O ATOM 44099 H1 TIP3 6661 55.526 78.854 -14.957 1.00 0.00 WT3 H ATOM 44100 H2 TIP3 6661 56.849 79.576 -15.101 1.00 0.00 WT3 H ATOM 44101 OH2 TIP3 6662 54.808 12.605 51.429 1.00 0.00 WT3 O ATOM 44102 H1 TIP3 6662 55.576 13.171 51.349 1.00 0.00 WT3 H ATOM 44103 H2 TIP3 6662 54.549 12.680 52.347 1.00 0.00 WT3 H ATOM 44104 OH2 TIP3 6664 43.982 68.272 52.316 1.00 0.00 WT3 O ATOM 44105 H1 TIP3 6664 43.375 68.698 51.711 1.00 0.00 WT3 H ATOM 44106 H2 TIP3 6664 44.681 67.933 51.756 1.00 0.00 WT3 H ATOM 44107 OH2 TIP3 6665 88.718 10.708 -7.183 1.00 0.00 WT3 O ATOM 44108 H1 TIP3 6665 89.357 10.210 -7.693 1.00 0.00 WT3 H ATOM 44109 H2 TIP3 6665 88.689 11.566 -7.607 1.00 0.00 WT3 H ATOM 44110 OH2 TIP3 6666 38.940 38.080 25.239 1.00 0.00 WT3 O ATOM 44111 H1 TIP3 6666 39.203 37.243 24.857 1.00 0.00 WT3 H ATOM 44112 H2 TIP3 6666 39.747 38.595 25.266 1.00 0.00 WT3 H ATOM 44113 OH2 TIP3 6668 62.998 9.391 25.096 1.00 0.00 WT3 O ATOM 44114 H1 TIP3 6668 62.129 9.613 25.430 1.00 0.00 WT3 H ATOM 44115 H2 TIP3 6668 63.569 10.080 25.436 1.00 0.00 WT3 H ATOM 44116 OH2 TIP3 6670 30.801 86.964 62.365 1.00 0.00 WT3 O ATOM 44117 H1 TIP3 6670 30.066 86.475 61.996 1.00 0.00 WT3 H ATOM 44118 H2 TIP3 6670 30.922 86.594 63.239 1.00 0.00 WT3 H ATOM 44119 OH2 TIP3 6671 28.097 82.785 9.447 1.00 0.00 WT3 O ATOM 44120 H1 TIP3 6671 28.110 81.986 9.974 1.00 0.00 WT3 H ATOM 44121 H2 TIP3 6671 27.178 83.052 9.439 1.00 0.00 WT3 H ATOM 44122 OH2 TIP3 6673 67.578 7.981 23.407 1.00 0.00 WT3 O ATOM 44123 H1 TIP3 6673 67.411 8.887 23.666 1.00 0.00 WT3 H ATOM 44124 H2 TIP3 6673 66.742 7.674 23.055 1.00 0.00 WT3 H ATOM 44125 OH2 TIP3 6674 43.188 60.656 39.252 1.00 0.00 WT3 O ATOM 44126 H1 TIP3 6674 42.509 60.902 39.880 1.00 0.00 WT3 H ATOM 44127 H2 TIP3 6674 43.851 60.210 39.779 1.00 0.00 WT3 H ATOM 44128 OH2 TIP3 6677 90.710 9.222 54.501 1.00 0.00 WT3 O ATOM 44129 H1 TIP3 6677 90.690 10.104 54.130 1.00 0.00 WT3 H ATOM 44130 H2 TIP3 6677 89.792 8.955 54.537 1.00 0.00 WT3 H ATOM 44131 OH2 TIP3 6679 26.661 40.471 13.781 1.00 0.00 WT3 O ATOM 44132 H1 TIP3 6679 26.897 41.047 14.508 1.00 0.00 WT3 H ATOM 44133 H2 TIP3 6679 26.873 39.591 14.093 1.00 0.00 WT3 H ATOM 44134 OH2 TIP3 6680 32.050 82.538 24.445 1.00 0.00 WT3 O ATOM 44135 H1 TIP3 6680 32.656 83.275 24.527 1.00 0.00 WT3 H ATOM 44136 H2 TIP3 6680 31.291 82.792 24.970 1.00 0.00 WT3 H ATOM 44137 OH2 TIP3 6681 30.171 56.787 17.730 1.00 0.00 WT3 O ATOM 44138 H1 TIP3 6681 31.104 56.620 17.865 1.00 0.00 WT3 H ATOM 44139 H2 TIP3 6681 29.929 57.385 18.437 1.00 0.00 WT3 H ATOM 44140 OH2 TIP3 6682 75.292 49.554 45.118 1.00 0.00 WT3 O ATOM 44141 H1 TIP3 6682 74.975 50.278 44.578 1.00 0.00 WT3 H ATOM 44142 H2 TIP3 6682 74.528 49.281 45.626 1.00 0.00 WT3 H ATOM 44143 OH2 TIP3 6684 83.607 12.616 42.644 1.00 0.00 WT3 O ATOM 44144 H1 TIP3 6684 84.027 13.398 43.003 1.00 0.00 WT3 H ATOM 44145 H2 TIP3 6684 84.007 11.889 43.122 1.00 0.00 WT3 H ATOM 44146 OH2 TIP3 6685 34.984 9.473 54.799 1.00 0.00 WT3 O ATOM 44147 H1 TIP3 6685 34.970 9.340 55.747 1.00 0.00 WT3 H ATOM 44148 H2 TIP3 6685 35.739 10.042 54.648 1.00 0.00 WT3 H ATOM 44149 OH2 TIP3 6686 81.779 57.046 -3.336 1.00 0.00 WT3 O ATOM 44150 H1 TIP3 6686 82.564 56.527 -3.510 1.00 0.00 WT3 H ATOM 44151 H2 TIP3 6686 82.112 57.880 -3.005 1.00 0.00 WT3 H ATOM 44152 OH2 TIP3 6687 44.270 65.120 -1.620 1.00 0.00 WT3 O ATOM 44153 H1 TIP3 6687 44.899 64.499 -1.252 1.00 0.00 WT3 H ATOM 44154 H2 TIP3 6687 43.457 64.948 -1.145 1.00 0.00 WT3 H ATOM 44155 OH2 TIP3 6689 88.802 45.589 37.261 1.00 0.00 WT3 O ATOM 44156 H1 TIP3 6689 87.987 46.074 37.136 1.00 0.00 WT3 H ATOM 44157 H2 TIP3 6689 89.470 46.128 36.836 1.00 0.00 WT3 H ATOM 44158 OH2 TIP3 6690 61.197 65.646 -10.514 1.00 0.00 WT3 O ATOM 44159 H1 TIP3 6690 60.969 65.905 -9.621 1.00 0.00 WT3 H ATOM 44160 H2 TIP3 6690 60.862 66.356 -11.062 1.00 0.00 WT3 H ATOM 44161 OH2 TIP3 6691 67.471 62.401 47.504 1.00 0.00 WT3 O ATOM 44162 H1 TIP3 6691 67.492 62.080 46.602 1.00 0.00 WT3 H ATOM 44163 H2 TIP3 6691 67.584 63.348 47.424 1.00 0.00 WT3 H ATOM 44164 OH2 TIP3 6692 76.793 91.555 -0.176 1.00 0.00 WT3 O ATOM 44165 H1 TIP3 6692 76.354 92.376 0.048 1.00 0.00 WT3 H ATOM 44166 H2 TIP3 6692 76.085 90.966 -0.433 1.00 0.00 WT3 H ATOM 44167 OH2 TIP3 6694 80.551 43.770 28.431 1.00 0.00 WT3 O ATOM 44168 H1 TIP3 6694 81.108 43.516 29.167 1.00 0.00 WT3 H ATOM 44169 H2 TIP3 6694 80.838 44.655 28.207 1.00 0.00 WT3 H ATOM 44170 OH2 TIP3 6695 83.158 78.556 32.002 1.00 0.00 WT3 O ATOM 44171 H1 TIP3 6695 83.094 78.422 31.056 1.00 0.00 WT3 H ATOM 44172 H2 TIP3 6695 82.411 79.115 32.215 1.00 0.00 WT3 H ATOM 44173 OH2 TIP3 6697 62.582 94.103 66.092 1.00 0.00 WT3 O ATOM 44174 H1 TIP3 6697 62.517 94.443 65.200 1.00 0.00 WT3 H ATOM 44175 H2 TIP3 6697 62.119 94.748 66.628 1.00 0.00 WT3 H ATOM 44176 OH2 TIP3 6698 59.123 18.075 43.326 1.00 0.00 WT3 O ATOM 44177 H1 TIP3 6698 59.593 18.879 43.104 1.00 0.00 WT3 H ATOM 44178 H2 TIP3 6698 59.341 17.467 42.620 1.00 0.00 WT3 H ATOM 44179 OH2 TIP3 6700 88.866 60.187 26.630 1.00 0.00 WT3 O ATOM 44180 H1 TIP3 6700 89.551 60.802 26.371 1.00 0.00 WT3 H ATOM 44181 H2 TIP3 6700 89.140 59.350 26.256 1.00 0.00 WT3 H ATOM 44182 OH2 TIP3 6701 53.484 85.636 -8.533 1.00 0.00 WT3 O ATOM 44183 H1 TIP3 6701 54.417 85.484 -8.379 1.00 0.00 WT3 H ATOM 44184 H2 TIP3 6701 53.131 84.771 -8.741 1.00 0.00 WT3 H ATOM 44185 OH2 TIP3 6702 54.531 15.169 11.210 1.00 0.00 WT3 O ATOM 44186 H1 TIP3 6702 55.023 14.531 11.727 1.00 0.00 WT3 H ATOM 44187 H2 TIP3 6702 53.999 15.639 11.853 1.00 0.00 WT3 H ATOM 44188 OH2 TIP3 6703 66.963 57.316 46.567 1.00 0.00 WT3 O ATOM 44189 H1 TIP3 6703 67.406 56.528 46.881 1.00 0.00 WT3 H ATOM 44190 H2 TIP3 6703 66.274 56.991 45.988 1.00 0.00 WT3 H ATOM 44191 OH2 TIP3 6704 24.633 15.438 -1.469 1.00 0.00 WT3 O ATOM 44192 H1 TIP3 6704 24.973 16.054 -0.820 1.00 0.00 WT3 H ATOM 44193 H2 TIP3 6704 23.727 15.715 -1.610 1.00 0.00 WT3 H ATOM 44194 OH2 TIP3 6705 60.358 82.914 -10.557 1.00 0.00 WT3 O ATOM 44195 H1 TIP3 6705 59.956 82.965 -11.424 1.00 0.00 WT3 H ATOM 44196 H2 TIP3 6705 60.315 81.985 -10.327 1.00 0.00 WT3 H ATOM 44197 OH2 TIP3 6706 23.052 62.267 17.045 1.00 0.00 WT3 O ATOM 44198 H1 TIP3 6706 23.707 62.898 17.342 1.00 0.00 WT3 H ATOM 44199 H2 TIP3 6706 22.369 62.297 17.716 1.00 0.00 WT3 H ATOM 44200 OH2 TIP3 6708 42.276 10.190 -13.669 1.00 0.00 WT3 O ATOM 44201 H1 TIP3 6708 42.139 11.039 -13.250 1.00 0.00 WT3 H ATOM 44202 H2 TIP3 6708 42.060 10.339 -14.590 1.00 0.00 WT3 H ATOM 44203 OH2 TIP3 6709 59.016 31.615 -15.335 1.00 0.00 WT3 O ATOM 44204 H1 TIP3 6709 58.381 31.938 -14.695 1.00 0.00 WT3 H ATOM 44205 H2 TIP3 6709 58.738 32.002 -16.165 1.00 0.00 WT3 H ATOM 44206 OH2 TIP3 6710 21.041 30.963 41.055 1.00 0.00 WT3 O ATOM 44207 H1 TIP3 6710 20.988 31.823 41.470 1.00 0.00 WT3 H ATOM 44208 H2 TIP3 6710 21.282 31.149 40.147 1.00 0.00 WT3 H ATOM 44209 OH2 TIP3 6712 82.797 35.584 33.339 1.00 0.00 WT3 O ATOM 44210 H1 TIP3 6712 83.474 35.831 32.708 1.00 0.00 WT3 H ATOM 44211 H2 TIP3 6712 83.282 35.269 34.101 1.00 0.00 WT3 H ATOM 44212 OH2 TIP3 6714 65.941 77.144 57.833 1.00 0.00 WT3 O ATOM 44213 H1 TIP3 6714 65.096 77.579 57.720 1.00 0.00 WT3 H ATOM 44214 H2 TIP3 6714 66.295 77.514 58.642 1.00 0.00 WT3 H ATOM 44215 OH2 TIP3 6715 53.359 59.937 -1.905 1.00 0.00 WT3 O ATOM 44216 H1 TIP3 6715 53.383 60.306 -1.022 1.00 0.00 WT3 H ATOM 44217 H2 TIP3 6715 52.565 60.302 -2.295 1.00 0.00 WT3 H ATOM 44218 OH2 TIP3 6716 47.010 87.895 30.902 1.00 0.00 WT3 O ATOM 44219 H1 TIP3 6716 46.431 87.598 31.604 1.00 0.00 WT3 H ATOM 44220 H2 TIP3 6716 46.781 87.343 30.154 1.00 0.00 WT3 H ATOM 44221 OH2 TIP3 6717 56.194 86.680 58.883 1.00 0.00 WT3 O ATOM 44222 H1 TIP3 6717 55.743 87.494 58.659 1.00 0.00 WT3 H ATOM 44223 H2 TIP3 6717 55.894 86.476 59.769 1.00 0.00 WT3 H ATOM 44224 OH2 TIP3 6718 71.042 10.066 8.365 1.00 0.00 WT3 O ATOM 44225 H1 TIP3 6718 70.839 10.866 7.880 1.00 0.00 WT3 H ATOM 44226 H2 TIP3 6718 71.014 10.329 9.285 1.00 0.00 WT3 H ATOM 44227 OH2 TIP3 6719 62.653 19.099 55.269 1.00 0.00 WT3 O ATOM 44228 H1 TIP3 6719 61.736 19.005 55.530 1.00 0.00 WT3 H ATOM 44229 H2 TIP3 6719 62.923 18.216 55.020 1.00 0.00 WT3 H ATOM 44230 OH2 TIP3 6720 27.675 28.858 -0.554 1.00 0.00 WT3 O ATOM 44231 H1 TIP3 6720 27.797 29.335 -1.375 1.00 0.00 WT3 H ATOM 44232 H2 TIP3 6720 28.231 29.318 0.075 1.00 0.00 WT3 H ATOM 44233 OH2 TIP3 6721 35.050 27.689 12.908 1.00 0.00 WT3 O ATOM 44234 H1 TIP3 6721 35.348 28.069 13.734 1.00 0.00 WT3 H ATOM 44235 H2 TIP3 6721 34.613 26.876 13.161 1.00 0.00 WT3 H ATOM 44236 OH2 TIP3 6722 65.867 8.179 -14.479 1.00 0.00 WT3 O ATOM 44237 H1 TIP3 6722 66.529 8.599 -15.030 1.00 0.00 WT3 H ATOM 44238 H2 TIP3 6722 65.432 8.905 -14.032 1.00 0.00 WT3 H ATOM 44239 OH2 TIP3 6723 77.888 54.218 -13.993 1.00 0.00 WT3 O ATOM 44240 H1 TIP3 6723 77.703 53.535 -13.348 1.00 0.00 WT3 H ATOM 44241 H2 TIP3 6723 77.647 55.033 -13.554 1.00 0.00 WT3 H ATOM 44242 OH2 TIP3 6724 38.972 55.729 59.694 1.00 0.00 WT3 O ATOM 44243 H1 TIP3 6724 38.911 54.999 59.078 1.00 0.00 WT3 H ATOM 44244 H2 TIP3 6724 38.298 55.546 60.349 1.00 0.00 WT3 H ATOM 44245 OH2 TIP3 6726 55.375 64.612 45.893 1.00 0.00 WT3 O ATOM 44246 H1 TIP3 6726 54.755 64.178 45.306 1.00 0.00 WT3 H ATOM 44247 H2 TIP3 6726 56.213 64.188 45.712 1.00 0.00 WT3 H ATOM 44248 OH2 TIP3 6727 39.190 74.383 0.510 1.00 0.00 WT3 O ATOM 44249 H1 TIP3 6727 39.379 73.463 0.697 1.00 0.00 WT3 H ATOM 44250 H2 TIP3 6727 38.959 74.758 1.360 1.00 0.00 WT3 H ATOM 44251 OH2 TIP3 6728 46.859 74.026 25.189 1.00 0.00 WT3 O ATOM 44252 H1 TIP3 6728 47.285 74.588 24.543 1.00 0.00 WT3 H ATOM 44253 H2 TIP3 6728 47.294 73.178 25.094 1.00 0.00 WT3 H ATOM 44254 OH2 TIP3 6729 50.420 28.798 20.275 1.00 0.00 WT3 O ATOM 44255 H1 TIP3 6729 49.772 28.834 20.978 1.00 0.00 WT3 H ATOM 44256 H2 TIP3 6729 50.684 29.709 20.144 1.00 0.00 WT3 H ATOM 44257 OH2 TIP3 6730 68.865 94.155 60.191 1.00 0.00 WT3 O ATOM 44258 H1 TIP3 6730 69.155 93.728 60.997 1.00 0.00 WT3 H ATOM 44259 H2 TIP3 6730 69.633 94.137 59.620 1.00 0.00 WT3 H ATOM 44260 OH2 TIP3 6731 37.481 11.918 -15.580 1.00 0.00 WT3 O ATOM 44261 H1 TIP3 6731 37.648 11.710 -16.499 1.00 0.00 WT3 H ATOM 44262 H2 TIP3 6731 38.265 12.388 -15.294 1.00 0.00 WT3 H ATOM 44263 OH2 TIP3 6732 27.208 68.850 45.864 1.00 0.00 WT3 O ATOM 44264 H1 TIP3 6732 27.352 68.157 46.509 1.00 0.00 WT3 H ATOM 44265 H2 TIP3 6732 27.806 68.639 45.147 1.00 0.00 WT3 H ATOM 44266 OH2 TIP3 6733 35.584 12.680 17.218 1.00 0.00 WT3 O ATOM 44267 H1 TIP3 6733 36.497 12.433 17.365 1.00 0.00 WT3 H ATOM 44268 H2 TIP3 6733 35.399 13.330 17.895 1.00 0.00 WT3 H ATOM 44269 OH2 TIP3 6734 30.668 96.223 14.855 1.00 0.00 WT3 O ATOM 44270 H1 TIP3 6734 30.981 95.326 14.977 1.00 0.00 WT3 H ATOM 44271 H2 TIP3 6734 31.314 96.625 14.275 1.00 0.00 WT3 H ATOM 44272 OH2 TIP3 6735 51.610 56.751 58.929 1.00 0.00 WT3 O ATOM 44273 H1 TIP3 6735 51.866 57.657 58.754 1.00 0.00 WT3 H ATOM 44274 H2 TIP3 6735 50.769 56.822 59.381 1.00 0.00 WT3 H ATOM 44275 OH2 TIP3 6736 53.202 89.312 26.563 1.00 0.00 WT3 O ATOM 44276 H1 TIP3 6736 53.363 89.608 27.459 1.00 0.00 WT3 H ATOM 44277 H2 TIP3 6736 52.964 88.389 26.654 1.00 0.00 WT3 H ATOM 44278 OH2 TIP3 6737 61.669 52.783 30.646 1.00 0.00 WT3 O ATOM 44279 H1 TIP3 6737 61.057 53.489 30.853 1.00 0.00 WT3 H ATOM 44280 H2 TIP3 6737 61.485 52.566 29.733 1.00 0.00 WT3 H ATOM 44281 OH2 TIP3 6738 61.655 81.234 23.120 1.00 0.00 WT3 O ATOM 44282 H1 TIP3 6738 61.218 80.765 23.831 1.00 0.00 WT3 H ATOM 44283 H2 TIP3 6738 61.426 80.742 22.332 1.00 0.00 WT3 H ATOM 44284 OH2 TIP3 6739 27.992 22.150 -16.984 1.00 0.00 WT3 O ATOM 44285 H1 TIP3 6739 27.693 21.833 -17.836 1.00 0.00 WT3 H ATOM 44286 H2 TIP3 6739 28.925 22.323 -17.106 1.00 0.00 WT3 H ATOM 44287 OH2 TIP3 6740 24.936 3.682 32.582 1.00 0.00 WT3 O ATOM 44288 H1 TIP3 6740 25.124 3.550 33.512 1.00 0.00 WT3 H ATOM 44289 H2 TIP3 6740 24.480 4.523 32.547 1.00 0.00 WT3 H ATOM 44290 OH2 TIP3 6741 51.483 74.095 32.693 1.00 0.00 WT3 O ATOM 44291 H1 TIP3 6741 51.658 73.350 33.267 1.00 0.00 WT3 H ATOM 44292 H2 TIP3 6741 51.065 73.711 31.922 1.00 0.00 WT3 H ATOM 44293 OH2 TIP3 6742 40.152 95.155 15.480 1.00 0.00 WT3 O ATOM 44294 H1 TIP3 6742 40.316 94.403 14.911 1.00 0.00 WT3 H ATOM 44295 H2 TIP3 6742 40.983 95.298 15.934 1.00 0.00 WT3 H ATOM 44296 OH2 TIP3 6743 82.960 57.174 64.844 1.00 0.00 WT3 O ATOM 44297 H1 TIP3 6743 82.306 57.564 65.424 1.00 0.00 WT3 H ATOM 44298 H2 TIP3 6743 83.348 56.468 65.361 1.00 0.00 WT3 H ATOM 44299 OH2 TIP3 6744 87.829 78.136 14.463 1.00 0.00 WT3 O ATOM 44300 H1 TIP3 6744 88.150 77.584 15.176 1.00 0.00 WT3 H ATOM 44301 H2 TIP3 6744 87.784 79.014 14.842 1.00 0.00 WT3 H ATOM 44302 OH2 TIP3 6745 83.636 26.069 13.684 1.00 0.00 WT3 O ATOM 44303 H1 TIP3 6745 83.427 25.724 14.552 1.00 0.00 WT3 H ATOM 44304 H2 TIP3 6745 82.883 25.832 13.143 1.00 0.00 WT3 H ATOM 44305 OH2 TIP3 6746 60.334 4.831 14.666 1.00 0.00 WT3 O ATOM 44306 H1 TIP3 6746 60.040 5.086 13.792 1.00 0.00 WT3 H ATOM 44307 H2 TIP3 6746 60.827 4.022 14.528 1.00 0.00 WT3 H ATOM 44308 OH2 TIP3 6747 85.520 76.721 41.251 1.00 0.00 WT3 O ATOM 44309 H1 TIP3 6747 85.376 76.329 40.390 1.00 0.00 WT3 H ATOM 44310 H2 TIP3 6747 86.089 76.101 41.706 1.00 0.00 WT3 H ATOM 44311 OH2 TIP3 6749 45.812 26.119 28.197 1.00 0.00 WT3 O ATOM 44312 H1 TIP3 6749 46.174 26.812 27.646 1.00 0.00 WT3 H ATOM 44313 H2 TIP3 6749 44.890 26.068 27.945 1.00 0.00 WT3 H ATOM 44314 OH2 TIP3 6750 59.809 67.612 40.504 1.00 0.00 WT3 O ATOM 44315 H1 TIP3 6750 58.976 67.787 40.066 1.00 0.00 WT3 H ATOM 44316 H2 TIP3 6750 59.835 66.660 40.601 1.00 0.00 WT3 H ATOM 44317 OH2 TIP3 6751 31.383 35.706 22.033 1.00 0.00 WT3 O ATOM 44318 H1 TIP3 6751 30.619 36.000 22.529 1.00 0.00 WT3 H ATOM 44319 H2 TIP3 6751 31.123 35.798 21.116 1.00 0.00 WT3 H ATOM 44320 OH2 TIP3 6752 78.439 58.837 61.643 1.00 0.00 WT3 O ATOM 44321 H1 TIP3 6752 77.978 58.773 60.806 1.00 0.00 WT3 H ATOM 44322 H2 TIP3 6752 77.768 59.121 62.265 1.00 0.00 WT3 H ATOM 44323 OH2 TIP3 6753 27.907 4.744 8.336 1.00 0.00 WT3 O ATOM 44324 H1 TIP3 6753 28.765 5.075 8.602 1.00 0.00 WT3 H ATOM 44325 H2 TIP3 6753 28.023 3.796 8.279 1.00 0.00 WT3 H ATOM 44326 OH2 TIP3 6755 60.307 85.284 36.007 1.00 0.00 WT3 O ATOM 44327 H1 TIP3 6755 59.915 85.556 35.177 1.00 0.00 WT3 H ATOM 44328 H2 TIP3 6755 59.588 84.875 36.488 1.00 0.00 WT3 H ATOM 44329 OH2 TIP3 6757 33.467 92.235 46.536 1.00 0.00 WT3 O ATOM 44330 H1 TIP3 6757 34.127 91.602 46.818 1.00 0.00 WT3 H ATOM 44331 H2 TIP3 6757 33.799 92.576 45.706 1.00 0.00 WT3 H ATOM 44332 OH2 TIP3 6760 88.841 87.111 46.785 1.00 0.00 WT3 O ATOM 44333 H1 TIP3 6760 89.535 86.571 47.164 1.00 0.00 WT3 H ATOM 44334 H2 TIP3 6760 88.037 86.792 47.196 1.00 0.00 WT3 H ATOM 44335 OH2 TIP3 6761 73.417 68.222 30.866 1.00 0.00 WT3 O ATOM 44336 H1 TIP3 6761 73.253 69.115 30.564 1.00 0.00 WT3 H ATOM 44337 H2 TIP3 6761 72.546 67.860 31.029 1.00 0.00 WT3 H ATOM 44338 OH2 TIP3 6762 66.822 85.262 36.795 1.00 0.00 WT3 O ATOM 44339 H1 TIP3 6762 66.613 84.667 36.075 1.00 0.00 WT3 H ATOM 44340 H2 TIP3 6762 66.004 85.339 37.287 1.00 0.00 WT3 H ATOM 44341 OH2 TIP3 6763 79.380 27.859 24.184 1.00 0.00 WT3 O ATOM 44342 H1 TIP3 6763 79.294 28.683 23.704 1.00 0.00 WT3 H ATOM 44343 H2 TIP3 6763 79.981 28.060 24.901 1.00 0.00 WT3 H ATOM 44344 OH2 TIP3 6764 56.629 86.960 -17.142 1.00 0.00 WT3 O ATOM 44345 H1 TIP3 6764 57.108 86.163 -17.370 1.00 0.00 WT3 H ATOM 44346 H2 TIP3 6764 55.861 86.949 -17.712 1.00 0.00 WT3 H ATOM 44347 OH2 TIP3 6765 62.101 86.737 -14.003 1.00 0.00 WT3 O ATOM 44348 H1 TIP3 6765 61.456 87.437 -13.895 1.00 0.00 WT3 H ATOM 44349 H2 TIP3 6765 62.112 86.289 -13.157 1.00 0.00 WT3 H ATOM 44350 OH2 TIP3 6766 69.598 32.502 48.569 1.00 0.00 WT3 O ATOM 44351 H1 TIP3 6766 69.607 33.073 47.801 1.00 0.00 WT3 H ATOM 44352 H2 TIP3 6766 68.933 32.882 49.143 1.00 0.00 WT3 H ATOM 44353 OH2 TIP3 6767 56.535 70.030 60.324 1.00 0.00 WT3 O ATOM 44354 H1 TIP3 6767 56.454 70.512 59.501 1.00 0.00 WT3 H ATOM 44355 H2 TIP3 6767 57.197 69.362 60.146 1.00 0.00 WT3 H ATOM 44356 OH2 TIP3 6769 45.289 39.362 -5.909 1.00 0.00 WT3 O ATOM 44357 H1 TIP3 6769 46.123 39.667 -5.554 1.00 0.00 WT3 H ATOM 44358 H2 TIP3 6769 44.822 39.004 -5.154 1.00 0.00 WT3 H ATOM 44359 OH2 TIP3 6770 80.202 39.430 59.988 1.00 0.00 WT3 O ATOM 44360 H1 TIP3 6770 80.287 38.664 59.420 1.00 0.00 WT3 H ATOM 44361 H2 TIP3 6770 79.786 40.093 59.438 1.00 0.00 WT3 H ATOM 44362 OH2 TIP3 6771 37.570 89.420 8.211 1.00 0.00 WT3 O ATOM 44363 H1 TIP3 6771 36.924 88.868 8.651 1.00 0.00 WT3 H ATOM 44364 H2 TIP3 6771 37.424 89.263 7.278 1.00 0.00 WT3 H ATOM 44365 OH2 TIP3 6772 32.291 92.503 66.880 1.00 0.00 WT3 O ATOM 44366 H1 TIP3 6772 32.541 93.427 66.843 1.00 0.00 WT3 H ATOM 44367 H2 TIP3 6772 33.113 92.039 67.039 1.00 0.00 WT3 H ATOM 44368 OH2 TIP3 6773 75.254 85.455 32.134 1.00 0.00 WT3 O ATOM 44369 H1 TIP3 6773 76.131 85.443 32.517 1.00 0.00 WT3 H ATOM 44370 H2 TIP3 6773 74.934 84.559 32.238 1.00 0.00 WT3 H ATOM 44371 OH2 TIP3 6774 56.733 3.443 44.391 1.00 0.00 WT3 O ATOM 44372 H1 TIP3 6774 56.303 2.592 44.296 1.00 0.00 WT3 H ATOM 44373 H2 TIP3 6774 57.660 3.232 44.500 1.00 0.00 WT3 H ATOM 44374 OH2 TIP3 6775 83.476 89.739 -6.262 1.00 0.00 WT3 O ATOM 44375 H1 TIP3 6775 83.598 89.066 -6.931 1.00 0.00 WT3 H ATOM 44376 H2 TIP3 6775 83.329 90.545 -6.756 1.00 0.00 WT3 H ATOM 44377 OH2 TIP3 6776 21.132 91.433 40.388 1.00 0.00 WT3 O ATOM 44378 H1 TIP3 6776 22.042 91.223 40.179 1.00 0.00 WT3 H ATOM 44379 H2 TIP3 6776 20.930 90.895 41.153 1.00 0.00 WT3 H ATOM 44380 OH2 TIP3 6778 30.490 72.541 50.687 1.00 0.00 WT3 O ATOM 44381 H1 TIP3 6778 30.029 72.900 49.929 1.00 0.00 WT3 H ATOM 44382 H2 TIP3 6778 30.554 73.274 51.299 1.00 0.00 WT3 H ATOM 44383 OH2 TIP3 6779 62.820 18.930 65.732 1.00 0.00 WT3 O ATOM 44384 H1 TIP3 6779 63.358 19.721 65.725 1.00 0.00 WT3 H ATOM 44385 H2 TIP3 6779 62.853 18.609 64.830 1.00 0.00 WT3 H ATOM 44386 OH2 TIP3 6780 48.955 71.929 52.693 1.00 0.00 WT3 O ATOM 44387 H1 TIP3 6780 49.453 71.257 52.228 1.00 0.00 WT3 H ATOM 44388 H2 TIP3 6780 48.206 72.108 52.125 1.00 0.00 WT3 H ATOM 44389 OH2 TIP3 6781 27.404 89.531 32.905 1.00 0.00 WT3 O ATOM 44390 H1 TIP3 6781 27.822 90.383 32.779 1.00 0.00 WT3 H ATOM 44391 H2 TIP3 6781 27.230 89.215 32.019 1.00 0.00 WT3 H ATOM 44392 OH2 TIP3 6782 53.694 55.724 57.258 1.00 0.00 WT3 O ATOM 44393 H1 TIP3 6782 53.546 56.183 56.432 1.00 0.00 WT3 H ATOM 44394 H2 TIP3 6782 52.926 55.932 57.790 1.00 0.00 WT3 H ATOM 44395 OH2 TIP3 6783 22.880 35.732 -2.432 1.00 0.00 WT3 O ATOM 44396 H1 TIP3 6783 22.139 35.871 -1.843 1.00 0.00 WT3 H ATOM 44397 H2 TIP3 6783 23.480 36.452 -2.236 1.00 0.00 WT3 H ATOM 44398 OH2 TIP3 6785 42.486 77.444 12.379 1.00 0.00 WT3 O ATOM 44399 H1 TIP3 6785 43.403 77.240 12.196 1.00 0.00 WT3 H ATOM 44400 H2 TIP3 6785 42.029 76.609 12.276 1.00 0.00 WT3 H ATOM 44401 OH2 TIP3 6786 46.863 95.767 10.728 1.00 0.00 WT3 O ATOM 44402 H1 TIP3 6786 46.416 94.961 10.986 1.00 0.00 WT3 H ATOM 44403 H2 TIP3 6786 46.759 96.350 11.480 1.00 0.00 WT3 H ATOM 44404 OH2 TIP3 6787 51.851 19.759 17.037 1.00 0.00 WT3 O ATOM 44405 H1 TIP3 6787 51.364 20.577 17.135 1.00 0.00 WT3 H ATOM 44406 H2 TIP3 6787 51.527 19.383 16.218 1.00 0.00 WT3 H ATOM 44407 OH2 TIP3 6788 24.203 91.716 18.385 1.00 0.00 WT3 O ATOM 44408 H1 TIP3 6788 25.147 91.700 18.536 1.00 0.00 WT3 H ATOM 44409 H2 TIP3 6788 24.043 92.557 17.956 1.00 0.00 WT3 H ATOM 44410 OH2 TIP3 6789 60.617 78.106 7.316 1.00 0.00 WT3 O ATOM 44411 H1 TIP3 6789 59.732 77.830 7.552 1.00 0.00 WT3 H ATOM 44412 H2 TIP3 6789 61.187 77.445 7.708 1.00 0.00 WT3 H ATOM 44413 OH2 TIP3 6791 70.653 95.175 0.105 1.00 0.00 WT3 O ATOM 44414 H1 TIP3 6791 71.547 95.161 0.447 1.00 0.00 WT3 H ATOM 44415 H2 TIP3 6791 70.132 94.732 0.775 1.00 0.00 WT3 H ATOM 44416 OH2 TIP3 6792 59.336 93.619 -6.058 1.00 0.00 WT3 O ATOM 44417 H1 TIP3 6792 60.000 93.103 -5.601 1.00 0.00 WT3 H ATOM 44418 H2 TIP3 6792 58.613 93.686 -5.433 1.00 0.00 WT3 H ATOM 44419 OH2 TIP3 6794 52.418 83.356 7.366 1.00 0.00 WT3 O ATOM 44420 H1 TIP3 6794 52.232 82.565 7.871 1.00 0.00 WT3 H ATOM 44421 H2 TIP3 6794 53.344 83.535 7.533 1.00 0.00 WT3 H ATOM 44422 OH2 TIP3 6795 75.550 44.853 38.497 1.00 0.00 WT3 O ATOM 44423 H1 TIP3 6795 75.060 45.090 37.709 1.00 0.00 WT3 H ATOM 44424 H2 TIP3 6795 76.447 44.718 38.189 1.00 0.00 WT3 H ATOM 44425 OH2 TIP3 6799 59.058 76.905 43.005 1.00 0.00 WT3 O ATOM 44426 H1 TIP3 6799 58.454 76.925 42.262 1.00 0.00 WT3 H ATOM 44427 H2 TIP3 6799 58.491 76.922 43.776 1.00 0.00 WT3 H ATOM 44428 OH2 TIP3 6800 32.145 44.995 16.732 1.00 0.00 WT3 O ATOM 44429 H1 TIP3 6800 32.185 44.573 17.590 1.00 0.00 WT3 H ATOM 44430 H2 TIP3 6800 32.525 44.354 16.131 1.00 0.00 WT3 H ATOM 44431 OH2 TIP3 6802 24.229 85.629 41.664 1.00 0.00 WT3 O ATOM 44432 H1 TIP3 6802 23.508 85.116 41.301 1.00 0.00 WT3 H ATOM 44433 H2 TIP3 6802 24.610 85.066 42.337 1.00 0.00 WT3 H ATOM 44434 OH2 TIP3 6803 64.312 19.195 22.670 1.00 0.00 WT3 O ATOM 44435 H1 TIP3 6803 64.454 19.809 21.949 1.00 0.00 WT3 H ATOM 44436 H2 TIP3 6803 63.366 19.053 22.682 1.00 0.00 WT3 H ATOM 44437 OH2 TIP3 6804 76.036 68.568 30.172 1.00 0.00 WT3 O ATOM 44438 H1 TIP3 6804 76.045 68.147 29.313 1.00 0.00 WT3 H ATOM 44439 H2 TIP3 6804 75.178 68.352 30.537 1.00 0.00 WT3 H ATOM 44440 OH2 TIP3 6806 65.344 63.559 15.787 1.00 0.00 WT3 O ATOM 44441 H1 TIP3 6806 65.345 63.941 14.909 1.00 0.00 WT3 H ATOM 44442 H2 TIP3 6806 64.549 63.025 15.815 1.00 0.00 WT3 H ATOM 44443 OH2 TIP3 6808 62.188 1.174 11.876 1.00 0.00 WT3 O ATOM 44444 H1 TIP3 6808 62.530 0.281 11.926 1.00 0.00 WT3 H ATOM 44445 H2 TIP3 6808 62.968 1.725 11.808 1.00 0.00 WT3 H ATOM 44446 OH2 TIP3 6813 44.838 30.939 -10.806 1.00 0.00 WT3 O ATOM 44447 H1 TIP3 6813 44.687 30.825 -9.868 1.00 0.00 WT3 H ATOM 44448 H2 TIP3 6813 45.686 31.379 -10.861 1.00 0.00 WT3 H ATOM 44449 OH2 TIP3 6814 75.473 86.782 16.841 1.00 0.00 WT3 O ATOM 44450 H1 TIP3 6814 76.379 86.520 16.674 1.00 0.00 WT3 H ATOM 44451 H2 TIP3 6814 75.513 87.277 17.659 1.00 0.00 WT3 H ATOM 44452 OH2 TIP3 6817 46.072 85.913 17.265 1.00 0.00 WT3 O ATOM 44453 H1 TIP3 6817 45.576 85.098 17.189 1.00 0.00 WT3 H ATOM 44454 H2 TIP3 6817 46.159 86.054 18.208 1.00 0.00 WT3 H ATOM 44455 OH2 TIP3 6818 32.973 40.547 -0.507 1.00 0.00 WT3 O ATOM 44456 H1 TIP3 6818 33.710 41.155 -0.557 1.00 0.00 WT3 H ATOM 44457 H2 TIP3 6818 32.982 40.233 0.398 1.00 0.00 WT3 H ATOM 44458 OH2 TIP3 6819 31.534 43.862 14.046 1.00 0.00 WT3 O ATOM 44459 H1 TIP3 6819 31.286 44.767 13.857 1.00 0.00 WT3 H ATOM 44460 H2 TIP3 6819 32.082 43.603 13.305 1.00 0.00 WT3 H ATOM 44461 OH2 TIP3 6820 43.635 68.575 -9.370 1.00 0.00 WT3 O ATOM 44462 H1 TIP3 6820 42.754 68.687 -9.013 1.00 0.00 WT3 H ATOM 44463 H2 TIP3 6820 44.120 68.125 -8.679 1.00 0.00 WT3 H ATOM 44464 OH2 TIP3 6823 83.616 87.288 40.675 1.00 0.00 WT3 O ATOM 44465 H1 TIP3 6823 82.877 87.753 40.284 1.00 0.00 WT3 H ATOM 44466 H2 TIP3 6823 84.134 86.989 39.928 1.00 0.00 WT3 H ATOM 44467 OH2 TIP3 6824 56.480 20.175 39.246 1.00 0.00 WT3 O ATOM 44468 H1 TIP3 6824 55.963 20.241 40.049 1.00 0.00 WT3 H ATOM 44469 H2 TIP3 6824 55.906 20.518 38.562 1.00 0.00 WT3 H ATOM 44470 OH2 TIP3 6825 50.999 22.318 4.310 1.00 0.00 WT3 O ATOM 44471 H1 TIP3 6825 50.924 23.114 4.837 1.00 0.00 WT3 H ATOM 44472 H2 TIP3 6825 51.780 21.880 4.646 1.00 0.00 WT3 H ATOM 44473 OH2 TIP3 6826 59.736 13.314 61.585 1.00 0.00 WT3 O ATOM 44474 H1 TIP3 6826 59.060 12.728 61.245 1.00 0.00 WT3 H ATOM 44475 H2 TIP3 6826 60.096 12.851 62.342 1.00 0.00 WT3 H ATOM 44476 OH2 TIP3 6827 72.563 25.999 -2.136 1.00 0.00 WT3 O ATOM 44477 H1 TIP3 6827 73.230 25.326 -2.003 1.00 0.00 WT3 H ATOM 44478 H2 TIP3 6827 72.724 26.324 -3.023 1.00 0.00 WT3 H ATOM 44479 OH2 TIP3 6837 23.603 79.881 39.106 1.00 0.00 WT3 O ATOM 44480 H1 TIP3 6837 24.007 79.420 39.842 1.00 0.00 WT3 H ATOM 44481 H2 TIP3 6837 23.439 79.198 38.456 1.00 0.00 WT3 H ATOM 44482 OH2 TIP3 6838 69.215 80.092 16.060 1.00 0.00 WT3 O ATOM 44483 H1 TIP3 6838 68.850 80.976 16.019 1.00 0.00 WT3 H ATOM 44484 H2 TIP3 6838 70.068 80.165 15.632 1.00 0.00 WT3 H ATOM 44485 OH2 TIP3 6841 70.782 72.824 41.640 1.00 0.00 WT3 O ATOM 44486 H1 TIP3 6841 71.583 72.492 42.046 1.00 0.00 WT3 H ATOM 44487 H2 TIP3 6841 70.438 72.079 41.146 1.00 0.00 WT3 H ATOM 44488 OH2 TIP3 6842 57.660 92.470 -11.156 1.00 0.00 WT3 O ATOM 44489 H1 TIP3 6842 57.723 92.886 -10.296 1.00 0.00 WT3 H ATOM 44490 H2 TIP3 6842 56.728 92.279 -11.262 1.00 0.00 WT3 H ATOM 44491 OH2 TIP3 6843 26.395 1.415 -16.817 1.00 0.00 WT3 O ATOM 44492 H1 TIP3 6843 25.941 1.905 -16.131 1.00 0.00 WT3 H ATOM 44493 H2 TIP3 6843 25.776 1.394 -17.547 1.00 0.00 WT3 H ATOM 44494 OH2 TIP3 6845 38.771 64.931 61.131 1.00 0.00 WT3 O ATOM 44495 H1 TIP3 6845 39.457 64.389 61.521 1.00 0.00 WT3 H ATOM 44496 H2 TIP3 6845 39.059 65.831 61.285 1.00 0.00 WT3 H ATOM 44497 OH2 TIP3 6853 85.835 72.096 65.736 1.00 0.00 WT3 O ATOM 44498 H1 TIP3 6853 84.945 72.254 65.423 1.00 0.00 WT3 H ATOM 44499 H2 TIP3 6853 85.804 71.217 66.115 1.00 0.00 WT3 H ATOM 44500 OH2 TIP3 6855 45.091 84.849 5.004 1.00 0.00 WT3 O ATOM 44501 H1 TIP3 6855 45.866 84.731 4.455 1.00 0.00 WT3 H ATOM 44502 H2 TIP3 6855 45.420 85.276 5.795 1.00 0.00 WT3 H ATOM 44503 OH2 TIP3 6857 65.383 67.196 3.131 1.00 0.00 WT3 O ATOM 44504 H1 TIP3 6857 65.262 66.704 2.319 1.00 0.00 WT3 H ATOM 44505 H2 TIP3 6857 66.304 67.066 3.356 1.00 0.00 WT3 H ATOM 44506 OH2 TIP3 6860 51.879 24.006 -14.938 1.00 0.00 WT3 O ATOM 44507 H1 TIP3 6860 52.317 24.418 -14.193 1.00 0.00 WT3 H ATOM 44508 H2 TIP3 6860 52.007 23.067 -14.803 1.00 0.00 WT3 H ATOM 44509 OH2 TIP3 6863 21.682 24.776 35.618 1.00 0.00 WT3 O ATOM 44510 H1 TIP3 6863 21.759 25.543 35.051 1.00 0.00 WT3 H ATOM 44511 H2 TIP3 6863 22.521 24.732 36.076 1.00 0.00 WT3 H ATOM 44512 OH2 TIP3 6864 63.246 91.232 -15.427 1.00 0.00 WT3 O ATOM 44513 H1 TIP3 6864 63.609 90.362 -15.260 1.00 0.00 WT3 H ATOM 44514 H2 TIP3 6864 64.010 91.781 -15.604 1.00 0.00 WT3 H ATOM 44515 OH2 TIP3 6865 58.640 84.360 31.659 1.00 0.00 WT3 O ATOM 44516 H1 TIP3 6865 58.197 84.465 30.817 1.00 0.00 WT3 H ATOM 44517 H2 TIP3 6865 58.650 83.415 31.809 1.00 0.00 WT3 H ATOM 44518 OH2 TIP3 6872 86.612 19.206 -11.251 1.00 0.00 WT3 O ATOM 44519 H1 TIP3 6872 87.535 19.342 -11.463 1.00 0.00 WT3 H ATOM 44520 H2 TIP3 6872 86.613 18.947 -10.329 1.00 0.00 WT3 H ATOM 44521 OH2 TIP3 6877 59.957 85.625 -2.130 1.00 0.00 WT3 O ATOM 44522 H1 TIP3 6877 59.777 84.817 -2.610 1.00 0.00 WT3 H ATOM 44523 H2 TIP3 6877 59.502 86.306 -2.626 1.00 0.00 WT3 H ATOM 44524 OH2 TIP3 6878 74.003 95.562 9.190 1.00 0.00 WT3 O ATOM 44525 H1 TIP3 6878 74.446 96.258 8.705 1.00 0.00 WT3 H ATOM 44526 H2 TIP3 6878 74.164 94.771 8.676 1.00 0.00 WT3 H ATOM 44527 OH2 TIP3 6881 60.698 16.528 16.264 1.00 0.00 WT3 O ATOM 44528 H1 TIP3 6881 60.374 17.373 16.576 1.00 0.00 WT3 H ATOM 44529 H2 TIP3 6881 61.208 16.181 16.996 1.00 0.00 WT3 H ATOM 44530 OH2 TIP3 6892 58.147 92.972 4.416 1.00 0.00 WT3 O ATOM 44531 H1 TIP3 6892 58.204 92.036 4.224 1.00 0.00 WT3 H ATOM 44532 H2 TIP3 6892 59.040 93.224 4.652 1.00 0.00 WT3 H ATOM 44533 OH2 TIP3 6895 87.548 12.567 47.696 1.00 0.00 WT3 O ATOM 44534 H1 TIP3 6895 86.780 12.467 48.259 1.00 0.00 WT3 H ATOM 44535 H2 TIP3 6895 88.270 12.732 48.303 1.00 0.00 WT3 H ATOM 44536 OH2 TIP3 6896 75.109 93.841 23.862 1.00 0.00 WT3 O ATOM 44537 H1 TIP3 6896 74.234 94.161 24.079 1.00 0.00 WT3 H ATOM 44538 H2 TIP3 6896 74.978 93.289 23.091 1.00 0.00 WT3 H ATOM 44539 OH2 TIP3 6909 54.341 12.451 35.624 1.00 0.00 WT3 O ATOM 44540 H1 TIP3 6909 53.498 11.999 35.666 1.00 0.00 WT3 H ATOM 44541 H2 TIP3 6909 54.361 12.996 36.410 1.00 0.00 WT3 H ATOM 44542 OH2 TIP3 6916 50.645 12.130 -12.062 1.00 0.00 WT3 O ATOM 44543 H1 TIP3 6916 50.142 12.943 -12.005 1.00 0.00 WT3 H ATOM 44544 H2 TIP3 6916 50.657 11.920 -12.995 1.00 0.00 WT3 H ATOM 44545 OH2 TIP3 6921 79.026 80.955 7.608 1.00 0.00 WT3 O ATOM 44546 H1 TIP3 6921 79.022 80.065 7.961 1.00 0.00 WT3 H ATOM 44547 H2 TIP3 6921 78.851 81.515 8.364 1.00 0.00 WT3 H ATOM 44548 OH2 TIP3 6952 42.264 1.975 31.676 1.00 0.00 WT3 O ATOM 44549 H1 TIP3 6952 43.023 1.408 31.541 1.00 0.00 WT3 H ATOM 44550 H2 TIP3 6952 42.318 2.619 30.969 1.00 0.00 WT3 H ATOM 44551 OH2 TIP3 6953 72.225 68.680 -10.349 1.00 0.00 WT3 O ATOM 44552 H1 TIP3 6953 72.160 67.983 -11.003 1.00 0.00 WT3 H ATOM 44553 H2 TIP3 6953 71.326 68.986 -10.234 1.00 0.00 WT3 H ATOM 44554 OH2 TIP3 6955 48.423 47.276 4.158 1.00 0.00 WT3 O ATOM 44555 H1 TIP3 6955 48.450 48.193 3.885 1.00 0.00 WT3 H ATOM 44556 H2 TIP3 6955 48.335 47.311 5.110 1.00 0.00 WT3 H ATOM 44557 OH2 TIP3 6967 62.721 3.244 30.244 1.00 0.00 WT3 O ATOM 44558 H1 TIP3 6967 62.911 4.182 30.209 1.00 0.00 WT3 H ATOM 44559 H2 TIP3 6967 63.256 2.918 30.967 1.00 0.00 WT3 H ATOM 44560 OH2 TIP3 6976 71.696 85.786 53.525 1.00 0.00 WT3 O ATOM 44561 H1 TIP3 6976 72.516 85.443 53.171 1.00 0.00 WT3 H ATOM 44562 H2 TIP3 6976 71.897 86.691 53.764 1.00 0.00 WT3 H ATOM 44563 OH2 TIP3 6979 43.804 20.794 33.353 1.00 0.00 WT3 O ATOM 44564 H1 TIP3 6979 44.226 19.943 33.234 1.00 0.00 WT3 H ATOM 44565 H2 TIP3 6979 43.826 20.943 34.298 1.00 0.00 WT3 H ATOM 44566 OH2 TIP3 6988 27.858 40.368 6.836 1.00 0.00 WT3 O ATOM 44567 H1 TIP3 6988 27.277 40.842 7.431 1.00 0.00 WT3 H ATOM 44568 H2 TIP3 6988 27.411 40.397 5.990 1.00 0.00 WT3 H ATOM 44569 OH2 TIP3 6994 63.964 57.194 34.860 1.00 0.00 WT3 O ATOM 44570 H1 TIP3 6994 63.325 57.764 34.433 1.00 0.00 WT3 H ATOM 44571 H2 TIP3 6994 63.436 56.521 35.290 1.00 0.00 WT3 H ATOM 44572 OH2 TIP3 7003 59.373 68.535 24.657 1.00 0.00 WT3 O ATOM 44573 H1 TIP3 7003 58.905 69.227 24.190 1.00 0.00 WT3 H ATOM 44574 H2 TIP3 7003 59.531 67.863 23.994 1.00 0.00 WT3 H ATOM 44575 OH2 TIP3 7012 30.009 55.954 51.904 1.00 0.00 WT3 O ATOM 44576 H1 TIP3 7012 30.486 56.777 52.012 1.00 0.00 WT3 H ATOM 44577 H2 TIP3 7012 29.406 55.927 52.646 1.00 0.00 WT3 H ATOM 44578 OH2 TIP3 7016 60.880 45.473 11.381 1.00 0.00 WT3 O ATOM 44579 H1 TIP3 7016 60.199 44.819 11.539 1.00 0.00 WT3 H ATOM 44580 H2 TIP3 7016 60.757 46.121 12.074 1.00 0.00 WT3 H ATOM 44581 OH2 TIP3 7017 37.095 84.259 -5.352 1.00 0.00 WT3 O ATOM 44582 H1 TIP3 7017 37.153 84.683 -6.208 1.00 0.00 WT3 H ATOM 44583 H2 TIP3 7017 36.156 84.162 -5.195 1.00 0.00 WT3 H ATOM 44584 OH2 TIP3 7019 52.370 66.721 50.034 1.00 0.00 WT3 O ATOM 44585 H1 TIP3 7019 52.797 67.488 50.416 1.00 0.00 WT3 H ATOM 44586 H2 TIP3 7019 52.915 66.494 49.281 1.00 0.00 WT3 H ATOM 44587 OH2 TIP3 7020 21.760 72.722 -18.294 1.00 0.00 WT3 O ATOM 44588 H1 TIP3 7020 22.596 73.188 -18.293 1.00 0.00 WT3 H ATOM 44589 H2 TIP3 7020 21.862 72.045 -17.625 1.00 0.00 WT3 H ATOM 44590 OH2 TIP3 7021 59.586 77.096 16.230 1.00 0.00 WT3 O ATOM 44591 H1 TIP3 7021 60.511 77.048 15.987 1.00 0.00 WT3 H ATOM 44592 H2 TIP3 7021 59.529 76.609 17.052 1.00 0.00 WT3 H ATOM 44593 OH2 TIP3 7023 20.674 71.272 17.607 1.00 0.00 WT3 O ATOM 44594 H1 TIP3 7023 21.441 71.618 17.151 1.00 0.00 WT3 H ATOM 44595 H2 TIP3 7023 20.489 71.919 18.289 1.00 0.00 WT3 H ATOM 44596 OH2 TIP3 7027 44.831 24.481 -4.316 1.00 0.00 WT3 O ATOM 44597 H1 TIP3 7027 44.991 23.871 -5.036 1.00 0.00 WT3 H ATOM 44598 H2 TIP3 7027 45.043 23.981 -3.527 1.00 0.00 WT3 H ATOM 44599 OH2 TIP3 7029 58.009 82.812 13.310 1.00 0.00 WT3 O ATOM 44600 H1 TIP3 7029 57.321 82.668 12.659 1.00 0.00 WT3 H ATOM 44601 H2 TIP3 7029 58.469 81.974 13.361 1.00 0.00 WT3 H ATOM 44602 OH2 TIP3 7040 40.477 63.677 -16.934 1.00 0.00 WT3 O ATOM 44603 H1 TIP3 7040 39.989 63.227 -16.244 1.00 0.00 WT3 H ATOM 44604 H2 TIP3 7040 41.284 63.170 -17.028 1.00 0.00 WT3 H ATOM 44605 OH2 TIP3 7041 27.966 70.798 4.244 1.00 0.00 WT3 O ATOM 44606 H1 TIP3 7041 27.698 71.712 4.154 1.00 0.00 WT3 H ATOM 44607 H2 TIP3 7041 28.832 70.841 4.650 1.00 0.00 WT3 H ATOM 44608 OH2 TIP3 7042 48.789 96.284 24.396 1.00 0.00 WT3 O ATOM 44609 H1 TIP3 7042 48.328 96.738 23.690 1.00 0.00 WT3 H ATOM 44610 H2 TIP3 7042 48.265 96.461 25.177 1.00 0.00 WT3 H ATOM 44611 OH2 TIP3 7043 23.938 28.421 39.238 1.00 0.00 WT3 O ATOM 44612 H1 TIP3 7043 23.964 27.464 39.234 1.00 0.00 WT3 H ATOM 44613 H2 TIP3 7043 23.434 28.651 38.458 1.00 0.00 WT3 H ATOM 44614 OH2 TIP3 7048 64.686 85.357 38.345 1.00 0.00 WT3 O ATOM 44615 H1 TIP3 7048 64.421 84.906 39.147 1.00 0.00 WT3 H ATOM 44616 H2 TIP3 7048 63.997 85.148 37.714 1.00 0.00 WT3 H ATOM 44617 OH2 TIP3 7050 71.873 57.981 26.383 1.00 0.00 WT3 O ATOM 44618 H1 TIP3 7050 71.427 57.889 27.225 1.00 0.00 WT3 H ATOM 44619 H2 TIP3 7050 71.165 58.041 25.742 1.00 0.00 WT3 H ATOM 44620 OH2 TIP3 7051 88.868 69.592 51.312 1.00 0.00 WT3 O ATOM 44621 H1 TIP3 7051 89.444 68.829 51.254 1.00 0.00 WT3 H ATOM 44622 H2 TIP3 7051 87.994 69.223 51.436 1.00 0.00 WT3 H ATOM 44623 OH2 TIP3 7052 90.078 16.886 58.807 1.00 0.00 WT3 O ATOM 44624 H1 TIP3 7052 89.722 17.591 58.267 1.00 0.00 WT3 H ATOM 44625 H2 TIP3 7052 90.738 17.312 59.354 1.00 0.00 WT3 H ATOM 44626 OH2 TIP3 7053 56.570 58.647 19.101 1.00 0.00 WT3 O ATOM 44627 H1 TIP3 7053 55.736 58.179 19.130 1.00 0.00 WT3 H ATOM 44628 H2 TIP3 7053 56.396 59.415 18.557 1.00 0.00 WT3 H ATOM 44629 OH2 TIP3 7054 50.536 60.271 3.928 1.00 0.00 WT3 O ATOM 44630 H1 TIP3 7054 51.024 59.451 3.859 1.00 0.00 WT3 H ATOM 44631 H2 TIP3 7054 51.209 60.951 3.943 1.00 0.00 WT3 H ATOM 44632 OH2 TIP3 7056 46.674 74.988 5.459 1.00 0.00 WT3 O ATOM 44633 H1 TIP3 7056 47.601 74.767 5.549 1.00 0.00 WT3 H ATOM 44634 H2 TIP3 7056 46.229 74.142 5.412 1.00 0.00 WT3 H ATOM 44635 OH2 TIP3 7058 84.366 78.331 -0.394 1.00 0.00 WT3 O ATOM 44636 H1 TIP3 7058 84.762 78.263 -1.263 1.00 0.00 WT3 H ATOM 44637 H2 TIP3 7058 83.577 78.855 -0.530 1.00 0.00 WT3 H ATOM 44638 OH2 TIP3 7059 86.832 24.398 2.814 1.00 0.00 WT3 O ATOM 44639 H1 TIP3 7059 86.744 25.225 2.342 1.00 0.00 WT3 H ATOM 44640 H2 TIP3 7059 87.614 23.991 2.442 1.00 0.00 WT3 H ATOM 44641 OH2 TIP3 7060 55.589 86.984 39.613 1.00 0.00 WT3 O ATOM 44642 H1 TIP3 7060 56.036 86.922 40.458 1.00 0.00 WT3 H ATOM 44643 H2 TIP3 7060 56.295 86.984 38.967 1.00 0.00 WT3 H ATOM 44644 OH2 TIP3 7062 31.144 18.998 54.774 1.00 0.00 WT3 O ATOM 44645 H1 TIP3 7062 31.916 18.500 55.044 1.00 0.00 WT3 H ATOM 44646 H2 TIP3 7062 31.330 19.896 55.049 1.00 0.00 WT3 H ATOM 44647 OH2 TIP3 7063 26.087 87.271 58.039 1.00 0.00 WT3 O ATOM 44648 H1 TIP3 7063 25.216 87.597 57.811 1.00 0.00 WT3 H ATOM 44649 H2 TIP3 7063 25.936 86.375 58.339 1.00 0.00 WT3 H ATOM 44650 OH2 TIP3 7065 81.607 21.919 -3.192 1.00 0.00 WT3 O ATOM 44651 H1 TIP3 7065 82.381 22.209 -2.710 1.00 0.00 WT3 H ATOM 44652 H2 TIP3 7065 81.850 22.009 -4.114 1.00 0.00 WT3 H ATOM 44653 OH2 TIP3 7069 63.115 47.836 59.855 1.00 0.00 WT3 O ATOM 44654 H1 TIP3 7069 62.527 48.424 59.380 1.00 0.00 WT3 H ATOM 44655 H2 TIP3 7069 63.914 48.348 59.983 1.00 0.00 WT3 H ATOM 44656 OH2 TIP3 7071 28.786 66.806 28.600 1.00 0.00 WT3 O ATOM 44657 H1 TIP3 7071 28.641 67.688 28.945 1.00 0.00 WT3 H ATOM 44658 H2 TIP3 7071 29.066 66.946 27.695 1.00 0.00 WT3 H ATOM 44659 OH2 TIP3 7073 53.384 94.643 26.551 1.00 0.00 WT3 O ATOM 44660 H1 TIP3 7073 52.780 95.101 25.967 1.00 0.00 WT3 H ATOM 44661 H2 TIP3 7073 53.822 95.340 27.039 1.00 0.00 WT3 H ATOM 44662 OH2 TIP3 7074 65.698 59.142 40.478 1.00 0.00 WT3 O ATOM 44663 H1 TIP3 7074 64.973 58.867 41.038 1.00 0.00 WT3 H ATOM 44664 H2 TIP3 7074 65.297 59.290 39.621 1.00 0.00 WT3 H ATOM 44665 OH2 TIP3 7075 22.474 64.557 61.444 1.00 0.00 WT3 O ATOM 44666 H1 TIP3 7075 22.747 64.157 60.618 1.00 0.00 WT3 H ATOM 44667 H2 TIP3 7075 21.703 64.056 61.710 1.00 0.00 WT3 H ATOM 44668 OH2 TIP3 7076 87.669 13.391 -17.020 1.00 0.00 WT3 O ATOM 44669 H1 TIP3 7076 88.474 13.176 -16.549 1.00 0.00 WT3 H ATOM 44670 H2 TIP3 7076 87.003 13.464 -16.337 1.00 0.00 WT3 H ATOM 44671 OH2 TIP3 7077 62.870 27.216 65.051 1.00 0.00 WT3 O ATOM 44672 H1 TIP3 7077 63.157 27.743 64.305 1.00 0.00 WT3 H ATOM 44673 H2 TIP3 7077 62.921 27.812 65.799 1.00 0.00 WT3 H ATOM 44674 OH2 TIP3 7078 49.996 36.244 52.684 1.00 0.00 WT3 O ATOM 44675 H1 TIP3 7078 50.030 37.191 52.819 1.00 0.00 WT3 H ATOM 44676 H2 TIP3 7078 49.381 36.126 51.960 1.00 0.00 WT3 H ATOM 44677 OH2 TIP3 7079 85.424 34.825 22.082 1.00 0.00 WT3 O ATOM 44678 H1 TIP3 7079 86.324 34.631 21.819 1.00 0.00 WT3 H ATOM 44679 H2 TIP3 7079 85.127 35.484 21.455 1.00 0.00 WT3 H ATOM 44680 OH2 TIP3 7081 79.126 81.114 66.519 1.00 0.00 WT3 O ATOM 44681 H1 TIP3 7081 78.898 82.034 66.387 1.00 0.00 WT3 H ATOM 44682 H2 TIP3 7081 78.366 80.739 66.963 1.00 0.00 WT3 H ATOM 44683 OH2 TIP3 7082 30.384 21.601 41.396 1.00 0.00 WT3 O ATOM 44684 H1 TIP3 7082 30.892 22.245 41.888 1.00 0.00 WT3 H ATOM 44685 H2 TIP3 7082 29.502 21.658 41.765 1.00 0.00 WT3 H ATOM 44686 OH2 TIP3 7086 24.912 93.553 30.399 1.00 0.00 WT3 O ATOM 44687 H1 TIP3 7086 25.016 92.926 31.115 1.00 0.00 WT3 H ATOM 44688 H2 TIP3 7086 25.489 94.281 30.632 1.00 0.00 WT3 H ATOM 44689 OH2 TIP3 7088 59.004 89.623 26.636 1.00 0.00 WT3 O ATOM 44690 H1 TIP3 7088 59.271 88.766 26.305 1.00 0.00 WT3 H ATOM 44691 H2 TIP3 7088 59.233 89.604 27.565 1.00 0.00 WT3 H ATOM 44692 OH2 TIP3 7089 83.492 57.963 56.995 1.00 0.00 WT3 O ATOM 44693 H1 TIP3 7089 82.964 57.206 56.741 1.00 0.00 WT3 H ATOM 44694 H2 TIP3 7089 82.880 58.699 56.976 1.00 0.00 WT3 H ATOM 44695 OH2 TIP3 7090 46.095 93.358 12.116 1.00 0.00 WT3 O ATOM 44696 H1 TIP3 7090 46.586 92.687 12.590 1.00 0.00 WT3 H ATOM 44697 H2 TIP3 7090 45.429 92.870 11.631 1.00 0.00 WT3 H ATOM 44698 OH2 TIP3 7091 60.340 23.436 -4.661 1.00 0.00 WT3 O ATOM 44699 H1 TIP3 7091 60.945 23.890 -4.075 1.00 0.00 WT3 H ATOM 44700 H2 TIP3 7091 60.878 23.180 -5.410 1.00 0.00 WT3 H ATOM 44701 OH2 TIP3 7092 74.811 54.821 15.183 1.00 0.00 WT3 O ATOM 44702 H1 TIP3 7092 74.045 54.250 15.234 1.00 0.00 WT3 H ATOM 44703 H2 TIP3 7092 75.541 54.269 15.464 1.00 0.00 WT3 H ATOM 44704 OH2 TIP3 7095 74.323 5.658 39.820 1.00 0.00 WT3 O ATOM 44705 H1 TIP3 7095 75.200 5.827 39.476 1.00 0.00 WT3 H ATOM 44706 H2 TIP3 7095 74.327 6.051 40.693 1.00 0.00 WT3 H ATOM 44707 OH2 TIP3 7096 67.548 39.815 -13.565 1.00 0.00 WT3 O ATOM 44708 H1 TIP3 7096 67.937 39.151 -14.134 1.00 0.00 WT3 H ATOM 44709 H2 TIP3 7096 66.981 40.325 -14.144 1.00 0.00 WT3 H ATOM 44710 OH2 TIP3 7097 37.381 36.553 2.486 1.00 0.00 WT3 O ATOM 44711 H1 TIP3 7097 37.897 36.887 1.752 1.00 0.00 WT3 H ATOM 44712 H2 TIP3 7097 37.972 36.602 3.237 1.00 0.00 WT3 H ATOM 44713 OH2 TIP3 7098 79.665 11.049 60.607 1.00 0.00 WT3 O ATOM 44714 H1 TIP3 7098 79.645 12.001 60.712 1.00 0.00 WT3 H ATOM 44715 H2 TIP3 7098 79.130 10.882 59.831 1.00 0.00 WT3 H ATOM 44716 OH2 TIP3 7099 86.520 76.933 30.507 1.00 0.00 WT3 O ATOM 44717 H1 TIP3 7099 87.259 76.451 30.136 1.00 0.00 WT3 H ATOM 44718 H2 TIP3 7099 85.746 76.495 30.152 1.00 0.00 WT3 H ATOM 44719 OH2 TIP3 7101 72.342 64.315 40.272 1.00 0.00 WT3 O ATOM 44720 H1 TIP3 7101 71.911 65.106 39.949 1.00 0.00 WT3 H ATOM 44721 H2 TIP3 7101 71.755 63.602 40.018 1.00 0.00 WT3 H ATOM 44722 OH2 TIP3 7102 26.498 9.932 66.196 1.00 0.00 WT3 O ATOM 44723 H1 TIP3 7102 27.144 9.859 66.899 1.00 0.00 WT3 H ATOM 44724 H2 TIP3 7102 25.975 9.134 66.266 1.00 0.00 WT3 H ATOM 44725 OH2 TIP3 7103 64.473 75.021 -7.029 1.00 0.00 WT3 O ATOM 44726 H1 TIP3 7103 65.185 75.549 -7.389 1.00 0.00 WT3 H ATOM 44727 H2 TIP3 7103 64.426 74.257 -7.603 1.00 0.00 WT3 H ATOM 44728 OH2 TIP3 7104 79.477 2.568 53.832 1.00 0.00 WT3 O ATOM 44729 H1 TIP3 7104 79.705 1.808 54.368 1.00 0.00 WT3 H ATOM 44730 H2 TIP3 7104 80.281 2.776 53.356 1.00 0.00 WT3 H ATOM 44731 OH2 TIP3 7106 36.586 85.499 16.727 1.00 0.00 WT3 O ATOM 44732 H1 TIP3 7106 36.187 84.647 16.903 1.00 0.00 WT3 H ATOM 44733 H2 TIP3 7106 37.039 85.385 15.892 1.00 0.00 WT3 H ATOM 44734 OH2 TIP3 7111 30.585 90.358 -3.710 1.00 0.00 WT3 O ATOM 44735 H1 TIP3 7111 30.594 90.343 -4.668 1.00 0.00 WT3 H ATOM 44736 H2 TIP3 7111 31.232 89.700 -3.454 1.00 0.00 WT3 H ATOM 44737 OH2 TIP3 7113 68.393 80.208 36.453 1.00 0.00 WT3 O ATOM 44738 H1 TIP3 7113 68.003 81.079 36.524 1.00 0.00 WT3 H ATOM 44739 H2 TIP3 7113 68.479 80.059 35.511 1.00 0.00 WT3 H ATOM 44740 OH2 TIP3 7114 66.663 14.286 -14.114 1.00 0.00 WT3 O ATOM 44741 H1 TIP3 7114 67.492 14.121 -13.666 1.00 0.00 WT3 H ATOM 44742 H2 TIP3 7114 66.251 14.985 -13.606 1.00 0.00 WT3 H ATOM 44743 OH2 TIP3 7115 33.652 89.441 18.067 1.00 0.00 WT3 O ATOM 44744 H1 TIP3 7115 33.807 88.498 18.006 1.00 0.00 WT3 H ATOM 44745 H2 TIP3 7115 34.476 89.798 18.400 1.00 0.00 WT3 H ATOM 44746 OH2 TIP3 7117 71.718 78.133 6.822 1.00 0.00 WT3 O ATOM 44747 H1 TIP3 7117 71.526 77.417 7.427 1.00 0.00 WT3 H ATOM 44748 H2 TIP3 7117 72.633 78.000 6.575 1.00 0.00 WT3 H ATOM 44749 OH2 TIP3 7118 66.530 71.950 54.872 1.00 0.00 WT3 O ATOM 44750 H1 TIP3 7118 66.485 71.106 55.320 1.00 0.00 WT3 H ATOM 44751 H2 TIP3 7118 65.692 72.370 55.067 1.00 0.00 WT3 H ATOM 44752 OH2 TIP3 7119 66.223 63.421 -4.520 1.00 0.00 WT3 O ATOM 44753 H1 TIP3 7119 66.162 63.075 -3.629 1.00 0.00 WT3 H ATOM 44754 H2 TIP3 7119 65.503 63.002 -4.991 1.00 0.00 WT3 H ATOM 44755 OH2 TIP3 7120 82.997 24.253 8.962 1.00 0.00 WT3 O ATOM 44756 H1 TIP3 7120 83.027 25.172 8.694 1.00 0.00 WT3 H ATOM 44757 H2 TIP3 7120 83.852 24.091 9.360 1.00 0.00 WT3 H ATOM 44758 OH2 TIP3 7121 31.104 65.334 -18.836 1.00 0.00 WT3 O ATOM 44759 H1 TIP3 7121 31.597 65.828 -19.491 1.00 0.00 WT3 H ATOM 44760 H2 TIP3 7121 30.301 65.839 -18.708 1.00 0.00 WT3 H ATOM 44761 OH2 TIP3 7122 29.735 56.758 6.794 1.00 0.00 WT3 O ATOM 44762 H1 TIP3 7122 28.923 56.675 7.294 1.00 0.00 WT3 H ATOM 44763 H2 TIP3 7122 30.341 57.196 7.392 1.00 0.00 WT3 H ATOM 44764 OH2 TIP3 7123 23.706 80.960 23.118 1.00 0.00 WT3 O ATOM 44765 H1 TIP3 7123 23.625 80.274 23.780 1.00 0.00 WT3 H ATOM 44766 H2 TIP3 7123 22.812 81.096 22.803 1.00 0.00 WT3 H ATOM 44767 OH2 TIP3 7126 48.615 64.061 -10.523 1.00 0.00 WT3 O ATOM 44768 H1 TIP3 7126 48.829 64.867 -10.053 1.00 0.00 WT3 H ATOM 44769 H2 TIP3 7126 48.647 63.377 -9.854 1.00 0.00 WT3 H ATOM 44770 OH2 TIP3 7127 72.146 78.405 41.508 1.00 0.00 WT3 O ATOM 44771 H1 TIP3 7127 72.369 78.732 40.636 1.00 0.00 WT3 H ATOM 44772 H2 TIP3 7127 71.705 79.140 41.935 1.00 0.00 WT3 H ATOM 44773 OH2 TIP3 7128 32.447 34.215 52.875 1.00 0.00 WT3 O ATOM 44774 H1 TIP3 7128 32.877 33.911 52.075 1.00 0.00 WT3 H ATOM 44775 H2 TIP3 7128 31.663 33.671 52.948 1.00 0.00 WT3 H ATOM 44776 OH2 TIP3 7129 62.892 84.614 36.323 1.00 0.00 WT3 O ATOM 44777 H1 TIP3 7129 61.951 84.678 36.160 1.00 0.00 WT3 H ATOM 44778 H2 TIP3 7129 63.170 83.845 35.825 1.00 0.00 WT3 H ATOM 44779 OH2 TIP3 7131 59.608 19.907 48.779 1.00 0.00 WT3 O ATOM 44780 H1 TIP3 7131 59.895 20.204 47.916 1.00 0.00 WT3 H ATOM 44781 H2 TIP3 7131 58.781 20.364 48.928 1.00 0.00 WT3 H ATOM 44782 OH2 TIP3 7133 43.220 74.778 -4.799 1.00 0.00 WT3 O ATOM 44783 H1 TIP3 7133 42.773 74.145 -5.362 1.00 0.00 WT3 H ATOM 44784 H2 TIP3 7133 44.144 74.533 -4.850 1.00 0.00 WT3 H ATOM 44785 OH2 TIP3 7134 26.129 70.036 0.390 1.00 0.00 WT3 O ATOM 44786 H1 TIP3 7134 25.277 69.873 0.795 1.00 0.00 WT3 H ATOM 44787 H2 TIP3 7134 26.673 69.300 0.671 1.00 0.00 WT3 H ATOM 44788 OH2 TIP3 7135 22.421 53.865 35.760 1.00 0.00 WT3 O ATOM 44789 H1 TIP3 7135 21.978 53.521 36.536 1.00 0.00 WT3 H ATOM 44790 H2 TIP3 7135 22.521 53.106 35.186 1.00 0.00 WT3 H ATOM 44791 OH2 TIP3 7136 64.610 83.583 48.601 1.00 0.00 WT3 O ATOM 44792 H1 TIP3 7136 63.933 84.029 49.109 1.00 0.00 WT3 H ATOM 44793 H2 TIP3 7136 65.432 83.843 49.017 1.00 0.00 WT3 H ATOM 44794 OH2 TIP3 7137 41.553 24.743 44.675 1.00 0.00 WT3 O ATOM 44795 H1 TIP3 7137 41.123 25.415 44.146 1.00 0.00 WT3 H ATOM 44796 H2 TIP3 7137 42.116 25.233 45.274 1.00 0.00 WT3 H ATOM 44797 OH2 TIP3 7139 27.083 56.238 7.833 1.00 0.00 WT3 O ATOM 44798 H1 TIP3 7139 27.157 56.949 8.470 1.00 0.00 WT3 H ATOM 44799 H2 TIP3 7139 26.356 56.498 7.266 1.00 0.00 WT3 H ATOM 44800 OH2 TIP3 7140 88.308 63.679 10.969 1.00 0.00 WT3 O ATOM 44801 H1 TIP3 7140 88.743 64.243 10.330 1.00 0.00 WT3 H ATOM 44802 H2 TIP3 7140 89.018 63.348 11.520 1.00 0.00 WT3 H ATOM 44803 OH2 TIP3 7141 60.999 91.765 -4.982 1.00 0.00 WT3 O ATOM 44804 H1 TIP3 7141 60.332 91.212 -4.575 1.00 0.00 WT3 H ATOM 44805 H2 TIP3 7141 61.560 92.038 -4.256 1.00 0.00 WT3 H ATOM 44806 OH2 TIP3 7142 73.062 32.180 25.814 1.00 0.00 WT3 O ATOM 44807 H1 TIP3 7142 72.132 32.400 25.766 1.00 0.00 WT3 H ATOM 44808 H2 TIP3 7142 73.496 32.856 25.294 1.00 0.00 WT3 H ATOM 44809 OH2 TIP3 7143 25.927 46.265 53.889 1.00 0.00 WT3 O ATOM 44810 H1 TIP3 7143 26.564 46.469 54.574 1.00 0.00 WT3 H ATOM 44811 H2 TIP3 7143 25.631 45.377 54.094 1.00 0.00 WT3 H ATOM 44812 OH2 TIP3 7144 44.657 11.849 29.178 1.00 0.00 WT3 O ATOM 44813 H1 TIP3 7144 44.047 12.417 28.709 1.00 0.00 WT3 H ATOM 44814 H2 TIP3 7144 45.519 12.086 28.833 1.00 0.00 WT3 H ATOM 44815 OH2 TIP3 7145 51.002 90.335 -15.377 1.00 0.00 WT3 O ATOM 44816 H1 TIP3 7145 50.146 90.062 -15.707 1.00 0.00 WT3 H ATOM 44817 H2 TIP3 7145 51.243 89.657 -14.746 1.00 0.00 WT3 H ATOM 44818 OH2 TIP3 7146 34.958 32.619 36.126 1.00 0.00 WT3 O ATOM 44819 H1 TIP3 7146 35.331 33.477 36.329 1.00 0.00 WT3 H ATOM 44820 H2 TIP3 7146 34.075 32.648 36.493 1.00 0.00 WT3 H ATOM 44821 OH2 TIP3 7147 72.636 82.149 8.095 1.00 0.00 WT3 O ATOM 44822 H1 TIP3 7147 72.032 82.884 8.196 1.00 0.00 WT3 H ATOM 44823 H2 TIP3 7147 72.084 81.423 7.802 1.00 0.00 WT3 H ATOM 44824 OH2 TIP3 7148 52.848 23.578 17.471 1.00 0.00 WT3 O ATOM 44825 H1 TIP3 7148 52.546 24.479 17.356 1.00 0.00 WT3 H ATOM 44826 H2 TIP3 7148 52.092 23.039 17.235 1.00 0.00 WT3 H ATOM 44827 OH2 TIP3 7150 66.433 14.374 57.512 1.00 0.00 WT3 O ATOM 44828 H1 TIP3 7150 66.804 15.145 57.941 1.00 0.00 WT3 H ATOM 44829 H2 TIP3 7150 67.056 13.672 57.700 1.00 0.00 WT3 H ATOM 44830 OH2 TIP3 7152 33.337 88.005 24.216 1.00 0.00 WT3 O ATOM 44831 H1 TIP3 7152 33.328 88.268 23.295 1.00 0.00 WT3 H ATOM 44832 H2 TIP3 7152 34.022 87.338 24.267 1.00 0.00 WT3 H ATOM 44833 OH2 TIP3 7153 31.872 53.678 20.302 1.00 0.00 WT3 O ATOM 44834 H1 TIP3 7153 32.455 53.837 21.044 1.00 0.00 WT3 H ATOM 44835 H2 TIP3 7153 32.167 54.291 19.629 1.00 0.00 WT3 H ATOM 44836 OH2 TIP3 7154 61.443 79.975 16.720 1.00 0.00 WT3 O ATOM 44837 H1 TIP3 7154 61.467 80.819 17.172 1.00 0.00 WT3 H ATOM 44838 H2 TIP3 7154 60.593 79.602 16.953 1.00 0.00 WT3 H ATOM 44839 OH2 TIP3 7155 77.937 54.545 58.951 1.00 0.00 WT3 O ATOM 44840 H1 TIP3 7155 77.771 55.377 58.508 1.00 0.00 WT3 H ATOM 44841 H2 TIP3 7155 77.729 54.717 59.870 1.00 0.00 WT3 H ATOM 44842 OH2 TIP3 7156 89.801 92.770 17.414 1.00 0.00 WT3 O ATOM 44843 H1 TIP3 7156 90.276 92.857 16.588 1.00 0.00 WT3 H ATOM 44844 H2 TIP3 7156 90.479 92.580 18.063 1.00 0.00 WT3 H ATOM 44845 OH2 TIP3 7157 33.484 68.203 21.115 1.00 0.00 WT3 O ATOM 44846 H1 TIP3 7157 33.319 67.573 20.414 1.00 0.00 WT3 H ATOM 44847 H2 TIP3 7157 33.480 67.678 21.916 1.00 0.00 WT3 H ATOM 44848 OH2 TIP3 7158 65.232 60.201 53.152 1.00 0.00 WT3 O ATOM 44849 H1 TIP3 7158 65.121 59.355 52.717 1.00 0.00 WT3 H ATOM 44850 H2 TIP3 7158 64.842 60.834 52.550 1.00 0.00 WT3 H ATOM 44851 OH2 TIP3 7159 44.458 2.929 17.397 1.00 0.00 WT3 O ATOM 44852 H1 TIP3 7159 45.231 2.670 16.895 1.00 0.00 WT3 H ATOM 44853 H2 TIP3 7159 44.699 2.766 18.309 1.00 0.00 WT3 H ATOM 44854 OH2 TIP3 7160 42.352 37.852 -14.366 1.00 0.00 WT3 O ATOM 44855 H1 TIP3 7160 43.259 38.122 -14.513 1.00 0.00 WT3 H ATOM 44856 H2 TIP3 7160 42.209 37.991 -13.430 1.00 0.00 WT3 H ATOM 44857 OH2 TIP3 7161 73.381 95.443 -4.238 1.00 0.00 WT3 O ATOM 44858 H1 TIP3 7161 73.215 96.058 -4.953 1.00 0.00 WT3 H ATOM 44859 H2 TIP3 7161 72.586 94.912 -4.190 1.00 0.00 WT3 H ATOM 44860 OH2 TIP3 7162 74.397 67.001 63.822 1.00 0.00 WT3 O ATOM 44861 H1 TIP3 7162 74.192 66.391 63.113 1.00 0.00 WT3 H ATOM 44862 H2 TIP3 7162 73.736 67.690 63.744 1.00 0.00 WT3 H ATOM 44863 OH2 TIP3 7163 74.036 58.380 28.656 1.00 0.00 WT3 O ATOM 44864 H1 TIP3 7163 74.313 58.575 27.760 1.00 0.00 WT3 H ATOM 44865 H2 TIP3 7163 73.747 57.468 28.624 1.00 0.00 WT3 H ATOM 44866 OH2 TIP3 7164 37.219 91.537 21.564 1.00 0.00 WT3 O ATOM 44867 H1 TIP3 7164 36.686 91.274 22.314 1.00 0.00 WT3 H ATOM 44868 H2 TIP3 7164 36.657 92.131 21.066 1.00 0.00 WT3 H ATOM 44869 OH2 TIP3 7165 72.669 20.757 55.967 1.00 0.00 WT3 O ATOM 44870 H1 TIP3 7165 71.990 21.418 56.107 1.00 0.00 WT3 H ATOM 44871 H2 TIP3 7165 73.400 21.045 56.513 1.00 0.00 WT3 H ATOM 44872 OH2 TIP3 7166 49.574 33.000 61.795 1.00 0.00 WT3 O ATOM 44873 H1 TIP3 7166 48.971 32.346 62.148 1.00 0.00 WT3 H ATOM 44874 H2 TIP3 7166 49.257 33.832 62.146 1.00 0.00 WT3 H ATOM 44875 OH2 TIP3 7167 90.093 77.141 47.318 1.00 0.00 WT3 O ATOM 44876 H1 TIP3 7167 90.980 77.239 47.665 1.00 0.00 WT3 H ATOM 44877 H2 TIP3 7167 89.806 76.283 47.631 1.00 0.00 WT3 H ATOM 44878 OH2 TIP3 7168 73.930 49.331 -12.780 1.00 0.00 WT3 O ATOM 44879 H1 TIP3 7168 74.684 48.742 -12.764 1.00 0.00 WT3 H ATOM 44880 H2 TIP3 7168 73.297 48.926 -12.186 1.00 0.00 WT3 H ATOM 44881 OH2 TIP3 7169 65.152 11.883 -5.310 1.00 0.00 WT3 O ATOM 44882 H1 TIP3 7169 66.104 11.961 -5.373 1.00 0.00 WT3 H ATOM 44883 H2 TIP3 7169 64.829 12.775 -5.436 1.00 0.00 WT3 H ATOM 44884 OH2 TIP3 7170 85.974 16.509 -6.551 1.00 0.00 WT3 O ATOM 44885 H1 TIP3 7170 85.736 17.362 -6.189 1.00 0.00 WT3 H ATOM 44886 H2 TIP3 7170 86.640 16.172 -5.952 1.00 0.00 WT3 H ATOM 44887 OH2 TIP3 7172 32.887 76.875 5.145 1.00 0.00 WT3 O ATOM 44888 H1 TIP3 7172 33.751 76.888 5.555 1.00 0.00 WT3 H ATOM 44889 H2 TIP3 7172 33.066 76.767 4.210 1.00 0.00 WT3 H ATOM 44890 OH2 TIP3 7173 78.258 69.697 5.364 1.00 0.00 WT3 O ATOM 44891 H1 TIP3 7173 77.351 69.828 5.641 1.00 0.00 WT3 H ATOM 44892 H2 TIP3 7173 78.204 69.041 4.669 1.00 0.00 WT3 H ATOM 44893 OH2 TIP3 7175 48.486 17.001 61.581 1.00 0.00 WT3 O ATOM 44894 H1 TIP3 7175 47.586 17.159 61.865 1.00 0.00 WT3 H ATOM 44895 H2 TIP3 7175 48.801 16.305 62.158 1.00 0.00 WT3 H ATOM 44896 OH2 TIP3 7177 74.150 49.689 42.200 1.00 0.00 WT3 O ATOM 44897 H1 TIP3 7177 74.149 48.796 42.546 1.00 0.00 WT3 H ATOM 44898 H2 TIP3 7177 73.225 49.896 42.067 1.00 0.00 WT3 H ATOM 44899 OH2 TIP3 7178 22.527 15.710 7.579 1.00 0.00 WT3 O ATOM 44900 H1 TIP3 7178 23.392 15.409 7.302 1.00 0.00 WT3 H ATOM 44901 H2 TIP3 7178 22.699 16.512 8.073 1.00 0.00 WT3 H ATOM 44902 OH2 TIP3 7180 43.205 83.456 45.183 1.00 0.00 WT3 O ATOM 44903 H1 TIP3 7180 42.973 83.997 45.937 1.00 0.00 WT3 H ATOM 44904 H2 TIP3 7180 44.091 83.735 44.951 1.00 0.00 WT3 H ATOM 44905 OH2 TIP3 7181 68.921 41.619 64.128 1.00 0.00 WT3 O ATOM 44906 H1 TIP3 7181 69.842 41.826 63.970 1.00 0.00 WT3 H ATOM 44907 H2 TIP3 7181 68.546 41.513 63.253 1.00 0.00 WT3 H ATOM 44908 OH2 TIP3 7182 57.322 75.121 -3.207 1.00 0.00 WT3 O ATOM 44909 H1 TIP3 7182 57.849 75.464 -3.928 1.00 0.00 WT3 H ATOM 44910 H2 TIP3 7182 56.416 75.256 -3.486 1.00 0.00 WT3 H ATOM 44911 OH2 TIP3 7183 80.126 54.427 -17.396 1.00 0.00 WT3 O ATOM 44912 H1 TIP3 7183 79.754 55.214 -17.795 1.00 0.00 WT3 H ATOM 44913 H2 TIP3 7183 79.366 53.888 -17.176 1.00 0.00 WT3 H ATOM 44914 OH2 TIP3 7184 48.870 74.702 16.268 1.00 0.00 WT3 O ATOM 44915 H1 TIP3 7184 49.671 74.193 16.392 1.00 0.00 WT3 H ATOM 44916 H2 TIP3 7184 48.724 75.130 17.112 1.00 0.00 WT3 H ATOM 44917 OH2 TIP3 7186 70.626 88.655 52.123 1.00 0.00 WT3 O ATOM 44918 H1 TIP3 7186 71.028 88.910 51.292 1.00 0.00 WT3 H ATOM 44919 H2 TIP3 7186 71.334 88.242 52.616 1.00 0.00 WT3 H ATOM 44920 OH2 TIP3 7187 41.758 28.396 12.923 1.00 0.00 WT3 O ATOM 44921 H1 TIP3 7187 41.243 28.198 13.705 1.00 0.00 WT3 H ATOM 44922 H2 TIP3 7187 42.650 28.131 13.149 1.00 0.00 WT3 H ATOM 44923 OH2 TIP3 7189 25.531 87.727 -6.308 1.00 0.00 WT3 O ATOM 44924 H1 TIP3 7189 26.472 87.656 -6.465 1.00 0.00 WT3 H ATOM 44925 H2 TIP3 7189 25.233 88.394 -6.926 1.00 0.00 WT3 H ATOM 44926 OH2 TIP3 7190 31.566 19.383 -17.232 1.00 0.00 WT3 O ATOM 44927 H1 TIP3 7190 31.262 18.477 -17.297 1.00 0.00 WT3 H ATOM 44928 H2 TIP3 7190 30.810 19.866 -16.898 1.00 0.00 WT3 H ATOM 44929 OH2 TIP3 7191 23.289 8.534 4.698 1.00 0.00 WT3 O ATOM 44930 H1 TIP3 7191 23.779 8.934 3.979 1.00 0.00 WT3 H ATOM 44931 H2 TIP3 7191 22.821 9.263 5.104 1.00 0.00 WT3 H ATOM 44932 OH2 TIP3 7192 58.575 9.123 16.389 1.00 0.00 WT3 O ATOM 44933 H1 TIP3 7192 58.073 8.336 16.603 1.00 0.00 WT3 H ATOM 44934 H2 TIP3 7192 59.440 8.796 16.143 1.00 0.00 WT3 H ATOM 44935 OH2 TIP3 7193 26.058 44.876 12.605 1.00 0.00 WT3 O ATOM 44936 H1 TIP3 7193 25.559 45.438 12.012 1.00 0.00 WT3 H ATOM 44937 H2 TIP3 7193 25.428 44.216 12.896 1.00 0.00 WT3 H ATOM 44938 OH2 TIP3 7194 32.393 25.260 12.640 1.00 0.00 WT3 O ATOM 44939 H1 TIP3 7194 31.446 25.268 12.506 1.00 0.00 WT3 H ATOM 44940 H2 TIP3 7194 32.681 24.427 12.266 1.00 0.00 WT3 H ATOM 44941 OH2 TIP3 7195 31.048 72.970 9.869 1.00 0.00 WT3 O ATOM 44942 H1 TIP3 7195 30.401 72.465 10.362 1.00 0.00 WT3 H ATOM 44943 H2 TIP3 7195 31.880 72.533 10.048 1.00 0.00 WT3 H ATOM 44944 OH2 TIP3 7196 45.923 37.497 49.893 1.00 0.00 WT3 O ATOM 44945 H1 TIP3 7196 46.122 38.426 50.013 1.00 0.00 WT3 H ATOM 44946 H2 TIP3 7196 46.211 37.304 49.001 1.00 0.00 WT3 H ATOM 44947 OH2 TIP3 7197 51.691 79.293 34.381 1.00 0.00 WT3 O ATOM 44948 H1 TIP3 7197 51.403 78.465 33.996 1.00 0.00 WT3 H ATOM 44949 H2 TIP3 7197 52.355 79.042 35.022 1.00 0.00 WT3 H ATOM 44950 OH2 TIP3 7198 45.443 26.386 -12.689 1.00 0.00 WT3 O ATOM 44951 H1 TIP3 7198 46.399 26.348 -12.696 1.00 0.00 WT3 H ATOM 44952 H2 TIP3 7198 45.185 26.113 -13.569 1.00 0.00 WT3 H ATOM 44953 OH2 TIP3 7199 64.850 90.365 43.080 1.00 0.00 WT3 O ATOM 44954 H1 TIP3 7199 64.832 89.887 42.251 1.00 0.00 WT3 H ATOM 44955 H2 TIP3 7199 63.984 90.770 43.142 1.00 0.00 WT3 H ATOM 44956 OH2 TIP3 7200 25.594 20.276 1.418 1.00 0.00 WT3 O ATOM 44957 H1 TIP3 7200 25.338 21.197 1.359 1.00 0.00 WT3 H ATOM 44958 H2 TIP3 7200 24.837 19.795 1.085 1.00 0.00 WT3 H ATOM 44959 OH2 TIP3 7201 48.050 72.729 41.685 1.00 0.00 WT3 O ATOM 44960 H1 TIP3 7201 48.107 73.603 41.299 1.00 0.00 WT3 H ATOM 44961 H2 TIP3 7201 47.262 72.347 41.298 1.00 0.00 WT3 H ATOM 44962 OH2 TIP3 7202 51.389 32.712 5.901 1.00 0.00 WT3 O ATOM 44963 H1 TIP3 7202 51.141 32.326 6.741 1.00 0.00 WT3 H ATOM 44964 H2 TIP3 7202 51.714 33.584 6.125 1.00 0.00 WT3 H ATOM 44965 OH2 TIP3 7203 88.555 71.100 -19.862 1.00 0.00 WT3 O ATOM 44966 H1 TIP3 7203 88.583 70.468 -19.144 1.00 0.00 WT3 H ATOM 44967 H2 TIP3 7203 89.450 71.118 -20.201 1.00 0.00 WT3 H ATOM 44968 OH2 TIP3 7204 89.058 65.285 4.083 1.00 0.00 WT3 O ATOM 44969 H1 TIP3 7204 88.691 66.072 4.486 1.00 0.00 WT3 H ATOM 44970 H2 TIP3 7204 89.981 65.496 3.942 1.00 0.00 WT3 H ATOM 44971 OH2 TIP3 7205 86.531 88.980 42.526 1.00 0.00 WT3 O ATOM 44972 H1 TIP3 7205 87.298 89.215 43.049 1.00 0.00 WT3 H ATOM 44973 H2 TIP3 7205 85.977 88.480 43.125 1.00 0.00 WT3 H ATOM 44974 OH2 TIP3 7206 31.559 60.483 60.039 1.00 0.00 WT3 O ATOM 44975 H1 TIP3 7206 32.267 60.493 60.684 1.00 0.00 WT3 H ATOM 44976 H2 TIP3 7206 31.957 60.112 59.252 1.00 0.00 WT3 H ATOM 44977 OH2 TIP3 7208 61.886 76.923 -6.939 1.00 0.00 WT3 O ATOM 44978 H1 TIP3 7208 62.715 76.448 -7.004 1.00 0.00 WT3 H ATOM 44979 H2 TIP3 7208 62.041 77.584 -6.265 1.00 0.00 WT3 H ATOM 44980 OH2 TIP3 7209 45.512 14.807 50.542 1.00 0.00 WT3 O ATOM 44981 H1 TIP3 7209 45.606 15.175 49.664 1.00 0.00 WT3 H ATOM 44982 H2 TIP3 7209 44.582 14.909 50.747 1.00 0.00 WT3 H ATOM 44983 OH2 TIP3 7210 52.750 86.821 27.108 1.00 0.00 WT3 O ATOM 44984 H1 TIP3 7210 52.226 86.876 27.907 1.00 0.00 WT3 H ATOM 44985 H2 TIP3 7210 52.384 86.075 26.633 1.00 0.00 WT3 H ATOM 44986 OH2 TIP3 7211 40.707 57.261 61.263 1.00 0.00 WT3 O ATOM 44987 H1 TIP3 7211 41.230 57.308 60.462 1.00 0.00 WT3 H ATOM 44988 H2 TIP3 7211 39.968 56.697 61.035 1.00 0.00 WT3 H ATOM 44989 OH2 TIP3 7213 28.156 65.797 3.088 1.00 0.00 WT3 O ATOM 44990 H1 TIP3 7213 28.419 66.181 3.924 1.00 0.00 WT3 H ATOM 44991 H2 TIP3 7213 28.967 65.747 2.581 1.00 0.00 WT3 H ATOM 44992 OH2 TIP3 7215 74.778 93.409 18.992 1.00 0.00 WT3 O ATOM 44993 H1 TIP3 7215 75.523 93.374 18.392 1.00 0.00 WT3 H ATOM 44994 H2 TIP3 7215 74.990 94.118 19.599 1.00 0.00 WT3 H ATOM 44995 OH2 TIP3 7216 61.372 84.048 22.793 1.00 0.00 WT3 O ATOM 44996 H1 TIP3 7216 60.447 84.253 22.930 1.00 0.00 WT3 H ATOM 44997 H2 TIP3 7216 61.424 83.097 22.890 1.00 0.00 WT3 H ATOM 44998 OH2 TIP3 7217 54.763 74.968 -4.508 1.00 0.00 WT3 O ATOM 44999 H1 TIP3 7217 54.198 74.308 -4.106 1.00 0.00 WT3 H ATOM 45000 H2 TIP3 7217 54.410 75.804 -4.204 1.00 0.00 WT3 H ATOM 45001 OH2 TIP3 7219 35.467 72.735 7.768 1.00 0.00 WT3 O ATOM 45002 H1 TIP3 7219 35.775 73.347 8.438 1.00 0.00 WT3 H ATOM 45003 H2 TIP3 7219 34.513 72.799 7.807 1.00 0.00 WT3 H ATOM 45004 OH2 TIP3 7222 81.707 2.867 -0.996 1.00 0.00 WT3 O ATOM 45005 H1 TIP3 7222 82.411 3.477 -1.215 1.00 0.00 WT3 H ATOM 45006 H2 TIP3 7222 80.989 3.425 -0.699 1.00 0.00 WT3 H ATOM 45007 OH2 TIP3 7223 76.377 46.752 7.831 1.00 0.00 WT3 O ATOM 45008 H1 TIP3 7223 76.582 46.974 8.740 1.00 0.00 WT3 H ATOM 45009 H2 TIP3 7223 75.477 47.054 7.709 1.00 0.00 WT3 H ATOM 45010 OH2 TIP3 7224 48.268 5.650 28.400 1.00 0.00 WT3 O ATOM 45011 H1 TIP3 7224 48.289 5.868 27.468 1.00 0.00 WT3 H ATOM 45012 H2 TIP3 7224 47.822 4.803 28.437 1.00 0.00 WT3 H ATOM 45013 OH2 TIP3 7227 86.186 63.226 22.171 1.00 0.00 WT3 O ATOM 45014 H1 TIP3 7227 86.433 62.425 21.709 1.00 0.00 WT3 H ATOM 45015 H2 TIP3 7227 85.566 62.935 22.840 1.00 0.00 WT3 H ATOM 45016 OH2 TIP3 7228 75.031 43.212 -1.382 1.00 0.00 WT3 O ATOM 45017 H1 TIP3 7228 74.683 43.564 -0.562 1.00 0.00 WT3 H ATOM 45018 H2 TIP3 7228 74.718 42.308 -1.407 1.00 0.00 WT3 H ATOM 45019 OH2 TIP3 7229 40.003 84.683 -6.272 1.00 0.00 WT3 O ATOM 45020 H1 TIP3 7229 40.091 84.987 -5.368 1.00 0.00 WT3 H ATOM 45021 H2 TIP3 7229 39.066 84.515 -6.377 1.00 0.00 WT3 H ATOM 45022 OH2 TIP3 7230 38.052 17.094 49.743 1.00 0.00 WT3 O ATOM 45023 H1 TIP3 7230 39.001 17.219 49.761 1.00 0.00 WT3 H ATOM 45024 H2 TIP3 7230 37.895 16.559 48.966 1.00 0.00 WT3 H ATOM 45025 OH2 TIP3 7231 69.793 1.335 24.241 1.00 0.00 WT3 O ATOM 45026 H1 TIP3 7231 69.605 0.580 24.799 1.00 0.00 WT3 H ATOM 45027 H2 TIP3 7231 68.931 1.675 24.000 1.00 0.00 WT3 H ATOM 45028 OH2 TIP3 7232 41.387 63.936 1.641 1.00 0.00 WT3 O ATOM 45029 H1 TIP3 7232 41.595 63.248 2.273 1.00 0.00 WT3 H ATOM 45030 H2 TIP3 7232 40.509 63.716 1.327 1.00 0.00 WT3 H ATOM 45031 OH2 TIP3 7234 24.065 37.766 32.749 1.00 0.00 WT3 O ATOM 45032 H1 TIP3 7234 24.897 38.022 32.350 1.00 0.00 WT3 H ATOM 45033 H2 TIP3 7234 24.157 36.828 32.914 1.00 0.00 WT3 H ATOM 45034 OH2 TIP3 7235 90.517 77.159 -1.042 1.00 0.00 WT3 O ATOM 45035 H1 TIP3 7235 90.527 76.835 -0.141 1.00 0.00 WT3 H ATOM 45036 H2 TIP3 7235 89.710 76.804 -1.416 1.00 0.00 WT3 H ATOM 45037 OH2 TIP3 7238 54.750 30.626 20.976 1.00 0.00 WT3 O ATOM 45038 H1 TIP3 7238 54.415 31.497 20.762 1.00 0.00 WT3 H ATOM 45039 H2 TIP3 7238 54.278 30.376 21.771 1.00 0.00 WT3 H ATOM 45040 OH2 TIP3 7239 66.292 59.251 20.954 1.00 0.00 WT3 O ATOM 45041 H1 TIP3 7239 66.221 58.385 20.552 1.00 0.00 WT3 H ATOM 45042 H2 TIP3 7239 65.955 59.132 21.842 1.00 0.00 WT3 H ATOM 45043 OH2 TIP3 7240 41.577 60.867 10.220 1.00 0.00 WT3 O ATOM 45044 H1 TIP3 7240 41.474 61.269 11.083 1.00 0.00 WT3 H ATOM 45045 H2 TIP3 7240 42.363 60.327 10.300 1.00 0.00 WT3 H ATOM 45046 OH2 TIP3 7241 79.145 6.980 -17.003 1.00 0.00 WT3 O ATOM 45047 H1 TIP3 7241 79.743 7.160 -16.277 1.00 0.00 WT3 H ATOM 45048 H2 TIP3 7241 78.465 6.425 -16.622 1.00 0.00 WT3 H ATOM 45049 OH2 TIP3 7243 27.844 10.540 53.819 1.00 0.00 WT3 O ATOM 45050 H1 TIP3 7243 27.815 10.382 52.875 1.00 0.00 WT3 H ATOM 45051 H2 TIP3 7243 28.609 11.101 53.946 1.00 0.00 WT3 H ATOM 45052 OH2 TIP3 7244 88.821 95.854 24.328 1.00 0.00 WT3 O ATOM 45053 H1 TIP3 7244 87.994 96.298 24.139 1.00 0.00 WT3 H ATOM 45054 H2 TIP3 7244 88.562 95.035 24.751 1.00 0.00 WT3 H ATOM 45055 OH2 TIP3 7245 35.134 93.761 -17.763 1.00 0.00 WT3 O ATOM 45056 H1 TIP3 7245 34.790 94.141 -18.572 1.00 0.00 WT3 H ATOM 45057 H2 TIP3 7245 36.079 93.910 -17.812 1.00 0.00 WT3 H ATOM 45058 OH2 TIP3 7247 38.716 80.941 15.725 1.00 0.00 WT3 O ATOM 45059 H1 TIP3 7247 38.511 80.075 16.078 1.00 0.00 WT3 H ATOM 45060 H2 TIP3 7247 38.279 81.551 16.320 1.00 0.00 WT3 H ATOM 45061 OH2 TIP3 7248 35.944 73.459 50.798 1.00 0.00 WT3 O ATOM 45062 H1 TIP3 7248 36.495 72.706 50.581 1.00 0.00 WT3 H ATOM 45063 H2 TIP3 7248 36.215 73.707 51.682 1.00 0.00 WT3 H ATOM 45064 OH2 TIP3 7249 75.964 50.797 59.545 1.00 0.00 WT3 O ATOM 45065 H1 TIP3 7249 76.457 50.557 60.329 1.00 0.00 WT3 H ATOM 45066 H2 TIP3 7249 76.082 50.057 58.950 1.00 0.00 WT3 H ATOM 45067 OH2 TIP3 7250 69.517 77.427 66.271 1.00 0.00 WT3 O ATOM 45068 H1 TIP3 7250 69.461 76.759 66.955 1.00 0.00 WT3 H ATOM 45069 H2 TIP3 7250 70.162 78.053 66.599 1.00 0.00 WT3 H ATOM 45070 OH2 TIP3 7252 90.219 18.566 41.858 1.00 0.00 WT3 O ATOM 45071 H1 TIP3 7252 90.017 17.826 41.285 1.00 0.00 WT3 H ATOM 45072 H2 TIP3 7252 89.374 18.815 42.234 1.00 0.00 WT3 H ATOM 45073 OH2 TIP3 7253 65.371 90.675 48.280 1.00 0.00 WT3 O ATOM 45074 H1 TIP3 7253 64.744 91.289 48.663 1.00 0.00 WT3 H ATOM 45075 H2 TIP3 7253 66.136 90.724 48.854 1.00 0.00 WT3 H ATOM 45076 OH2 TIP3 7254 89.308 34.863 25.344 1.00 0.00 WT3 O ATOM 45077 H1 TIP3 7254 88.410 34.546 25.244 1.00 0.00 WT3 H ATOM 45078 H2 TIP3 7254 89.220 35.814 25.413 1.00 0.00 WT3 H ATOM 45079 OH2 TIP3 7256 49.336 0.697 3.541 1.00 0.00 WT3 O ATOM 45080 H1 TIP3 7256 50.015 1.214 3.975 1.00 0.00 WT3 H ATOM 45081 H2 TIP3 7256 49.341 1.006 2.635 1.00 0.00 WT3 H ATOM 45082 OH2 TIP3 7257 65.215 62.725 40.614 1.00 0.00 WT3 O ATOM 45083 H1 TIP3 7257 65.904 62.627 39.957 1.00 0.00 WT3 H ATOM 45084 H2 TIP3 7257 64.568 62.058 40.384 1.00 0.00 WT3 H ATOM 45085 OH2 TIP3 7258 60.625 79.427 57.430 1.00 0.00 WT3 O ATOM 45086 H1 TIP3 7258 60.347 79.481 56.515 1.00 0.00 WT3 H ATOM 45087 H2 TIP3 7258 59.832 79.184 57.907 1.00 0.00 WT3 H ATOM 45088 OH2 TIP3 7259 79.248 63.295 40.626 1.00 0.00 WT3 O ATOM 45089 H1 TIP3 7259 78.393 63.609 40.923 1.00 0.00 WT3 H ATOM 45090 H2 TIP3 7259 79.755 64.092 40.471 1.00 0.00 WT3 H ATOM 45091 OH2 TIP3 7260 64.555 52.974 21.341 1.00 0.00 WT3 O ATOM 45092 H1 TIP3 7260 64.761 52.040 21.324 1.00 0.00 WT3 H ATOM 45093 H2 TIP3 7260 63.701 53.023 21.772 1.00 0.00 WT3 H ATOM 45094 OH2 TIP3 7262 24.504 86.141 -10.147 1.00 0.00 WT3 O ATOM 45095 H1 TIP3 7262 23.811 85.973 -10.786 1.00 0.00 WT3 H ATOM 45096 H2 TIP3 7262 24.134 86.800 -9.560 1.00 0.00 WT3 H ATOM 45097 OH2 TIP3 7264 34.895 3.826 -6.260 1.00 0.00 WT3 O ATOM 45098 H1 TIP3 7264 34.030 3.770 -6.666 1.00 0.00 WT3 H ATOM 45099 H2 TIP3 7264 35.476 4.097 -6.970 1.00 0.00 WT3 H ATOM 45100 OH2 TIP3 7266 43.803 12.466 51.713 1.00 0.00 WT3 O ATOM 45101 H1 TIP3 7266 43.434 13.299 51.420 1.00 0.00 WT3 H ATOM 45102 H2 TIP3 7266 44.202 12.091 50.928 1.00 0.00 WT3 H ATOM 45103 OH2 TIP3 7267 65.975 91.473 1.829 1.00 0.00 WT3 O ATOM 45104 H1 TIP3 7267 66.086 90.716 1.253 1.00 0.00 WT3 H ATOM 45105 H2 TIP3 7267 65.322 92.017 1.387 1.00 0.00 WT3 H ATOM 45106 OH2 TIP3 7270 76.931 92.350 12.648 1.00 0.00 WT3 O ATOM 45107 H1 TIP3 7270 76.293 91.792 12.203 1.00 0.00 WT3 H ATOM 45108 H2 TIP3 7270 77.386 91.762 13.250 1.00 0.00 WT3 H ATOM 45109 OH2 TIP3 7275 56.115 74.796 39.349 1.00 0.00 WT3 O ATOM 45110 H1 TIP3 7275 55.878 74.065 39.920 1.00 0.00 WT3 H ATOM 45111 H2 TIP3 7275 55.278 75.129 39.026 1.00 0.00 WT3 H ATOM 45112 OH2 TIP3 7280 69.160 59.824 46.390 1.00 0.00 WT3 O ATOM 45113 H1 TIP3 7280 68.353 60.006 45.909 1.00 0.00 WT3 H ATOM 45114 H2 TIP3 7280 68.872 59.343 47.166 1.00 0.00 WT3 H ATOM 45115 OH2 TIP3 7281 70.538 71.774 37.493 1.00 0.00 WT3 O ATOM 45116 H1 TIP3 7281 69.905 72.476 37.339 1.00 0.00 WT3 H ATOM 45117 H2 TIP3 7281 70.654 71.365 36.635 1.00 0.00 WT3 H ATOM 45118 OH2 TIP3 7282 74.453 12.676 -17.655 1.00 0.00 WT3 O ATOM 45119 H1 TIP3 7282 74.857 12.418 -16.826 1.00 0.00 WT3 H ATOM 45120 H2 TIP3 7282 73.915 11.924 -17.903 1.00 0.00 WT3 H ATOM 45121 OH2 TIP3 7283 24.635 11.350 52.178 1.00 0.00 WT3 O ATOM 45122 H1 TIP3 7283 25.506 11.174 51.822 1.00 0.00 WT3 H ATOM 45123 H2 TIP3 7283 24.034 11.104 51.474 1.00 0.00 WT3 H ATOM 45124 OH2 TIP3 7284 26.875 7.057 7.732 1.00 0.00 WT3 O ATOM 45125 H1 TIP3 7284 26.659 7.363 8.613 1.00 0.00 WT3 H ATOM 45126 H2 TIP3 7284 27.192 6.163 7.860 1.00 0.00 WT3 H ATOM 45127 OH2 TIP3 7286 51.491 82.056 54.803 1.00 0.00 WT3 O ATOM 45128 H1 TIP3 7286 51.704 81.408 54.131 1.00 0.00 WT3 H ATOM 45129 H2 TIP3 7286 51.639 81.600 55.631 1.00 0.00 WT3 H ATOM 45130 OH2 TIP3 7295 58.860 28.808 7.499 1.00 0.00 WT3 O ATOM 45131 H1 TIP3 7295 58.677 29.607 7.993 1.00 0.00 WT3 H ATOM 45132 H2 TIP3 7295 59.511 28.345 8.026 1.00 0.00 WT3 H ATOM 45133 OH2 TIP3 7299 39.646 80.024 32.496 1.00 0.00 WT3 O ATOM 45134 H1 TIP3 7299 39.963 80.866 32.824 1.00 0.00 WT3 H ATOM 45135 H2 TIP3 7299 40.276 79.777 31.820 1.00 0.00 WT3 H ATOM 45136 OH2 TIP3 7301 76.418 1.552 50.690 1.00 0.00 WT3 O ATOM 45137 H1 TIP3 7301 76.660 0.972 49.968 1.00 0.00 WT3 H ATOM 45138 H2 TIP3 7301 75.503 1.777 50.521 1.00 0.00 WT3 H ATOM 45139 OH2 TIP3 7302 57.628 0.102 -2.761 1.00 0.00 WT3 O ATOM 45140 H1 TIP3 7302 58.486 0.297 -2.385 1.00 0.00 WT3 H ATOM 45141 H2 TIP3 7302 57.565 0.675 -3.525 1.00 0.00 WT3 H ATOM 45142 OH2 TIP3 7305 21.566 84.983 15.069 1.00 0.00 WT3 O ATOM 45143 H1 TIP3 7305 21.907 84.102 15.223 1.00 0.00 WT3 H ATOM 45144 H2 TIP3 7305 22.294 85.564 15.292 1.00 0.00 WT3 H ATOM 45145 OH2 TIP3 7311 79.221 69.412 52.855 1.00 0.00 WT3 O ATOM 45146 H1 TIP3 7311 79.901 70.026 52.580 1.00 0.00 WT3 H ATOM 45147 H2 TIP3 7311 78.471 69.618 52.297 1.00 0.00 WT3 H ATOM 45148 OH2 TIP3 7312 55.574 74.420 5.007 1.00 0.00 WT3 O ATOM 45149 H1 TIP3 7312 54.711 74.053 4.819 1.00 0.00 WT3 H ATOM 45150 H2 TIP3 7312 55.931 73.855 5.692 1.00 0.00 WT3 H ATOM 45151 OH2 TIP3 7322 55.266 63.516 58.446 1.00 0.00 WT3 O ATOM 45152 H1 TIP3 7322 54.911 62.892 57.814 1.00 0.00 WT3 H ATOM 45153 H2 TIP3 7322 54.502 63.831 58.928 1.00 0.00 WT3 H ATOM 45154 OH2 TIP3 7340 73.670 85.640 29.623 1.00 0.00 WT3 O ATOM 45155 H1 TIP3 7340 73.964 85.820 30.516 1.00 0.00 WT3 H ATOM 45156 H2 TIP3 7340 74.133 84.840 29.374 1.00 0.00 WT3 H ATOM 45157 OH2 TIP3 7343 76.694 2.377 32.593 1.00 0.00 WT3 O ATOM 45158 H1 TIP3 7343 76.491 2.615 31.688 1.00 0.00 WT3 H ATOM 45159 H2 TIP3 7343 76.603 1.425 32.617 1.00 0.00 WT3 H ATOM 45160 OH2 TIP3 7366 86.214 41.815 52.298 1.00 0.00 WT3 O ATOM 45161 H1 TIP3 7366 85.647 41.855 53.068 1.00 0.00 WT3 H ATOM 45162 H2 TIP3 7366 86.528 42.713 52.185 1.00 0.00 WT3 H ATOM 45163 OH2 TIP3 7408 21.122 60.458 18.699 1.00 0.00 WT3 O ATOM 45164 H1 TIP3 7408 20.959 59.517 18.750 1.00 0.00 WT3 H ATOM 45165 H2 TIP3 7408 20.393 60.801 18.183 1.00 0.00 WT3 H ATOM 45166 OH2 TIP3 7412 71.314 42.179 48.696 1.00 0.00 WT3 O ATOM 45167 H1 TIP3 7412 70.729 41.538 48.292 1.00 0.00 WT3 H ATOM 45168 H2 TIP3 7412 72.179 41.772 48.658 1.00 0.00 WT3 H ATOM 45169 OH2 TIP3 7415 48.293 89.423 46.204 1.00 0.00 WT3 O ATOM 45170 H1 TIP3 7415 48.169 88.763 45.523 1.00 0.00 WT3 H ATOM 45171 H2 TIP3 7415 47.422 89.798 46.337 1.00 0.00 WT3 H ATOM 45172 OH2 TIP3 7418 50.439 18.439 -0.902 1.00 0.00 WT3 O ATOM 45173 H1 TIP3 7418 51.234 18.059 -1.277 1.00 0.00 WT3 H ATOM 45174 H2 TIP3 7418 50.699 19.320 -0.632 1.00 0.00 WT3 H ATOM 45175 OH2 TIP3 7431 25.225 70.020 10.773 1.00 0.00 WT3 O ATOM 45176 H1 TIP3 7431 24.637 70.664 11.168 1.00 0.00 WT3 H ATOM 45177 H2 TIP3 7431 25.846 69.804 11.468 1.00 0.00 WT3 H ATOM 45178 OH2 TIP3 7435 48.779 92.904 14.988 1.00 0.00 WT3 O ATOM 45179 H1 TIP3 7435 48.736 93.842 14.803 1.00 0.00 WT3 H ATOM 45180 H2 TIP3 7435 49.177 92.849 15.857 1.00 0.00 WT3 H ATOM 45181 OH2 TIP3 7436 43.752 55.329 33.627 1.00 0.00 WT3 O ATOM 45182 H1 TIP3 7436 43.260 55.894 34.223 1.00 0.00 WT3 H ATOM 45183 H2 TIP3 7436 44.375 54.869 34.191 1.00 0.00 WT3 H ATOM 45184 OH2 TIP3 7437 68.878 37.763 -0.112 1.00 0.00 WT3 O ATOM 45185 H1 TIP3 7437 69.504 37.876 0.603 1.00 0.00 WT3 H ATOM 45186 H2 TIP3 7437 68.045 37.585 0.324 1.00 0.00 WT3 H ATOM 45187 OH2 TIP3 7439 81.328 1.474 3.240 1.00 0.00 WT3 O ATOM 45188 H1 TIP3 7439 81.011 0.719 2.744 1.00 0.00 WT3 H ATOM 45189 H2 TIP3 7439 80.809 2.210 2.914 1.00 0.00 WT3 H ATOM 45190 OH2 TIP3 7451 85.156 67.471 44.476 1.00 0.00 WT3 O ATOM 45191 H1 TIP3 7451 84.317 67.799 44.799 1.00 0.00 WT3 H ATOM 45192 H2 TIP3 7451 85.656 68.259 44.262 1.00 0.00 WT3 H ATOM 45193 OH2 TIP3 7456 54.075 72.194 24.200 1.00 0.00 WT3 O ATOM 45194 H1 TIP3 7456 54.004 72.056 25.145 1.00 0.00 WT3 H ATOM 45195 H2 TIP3 7456 54.365 73.102 24.112 1.00 0.00 WT3 H ATOM 45196 OH2 TIP3 7461 31.180 21.106 57.004 1.00 0.00 WT3 O ATOM 45197 H1 TIP3 7461 30.254 21.115 57.246 1.00 0.00 WT3 H ATOM 45198 H2 TIP3 7461 31.511 21.958 57.288 1.00 0.00 WT3 H ATOM 45199 OH2 TIP3 7467 42.493 96.646 40.919 1.00 0.00 WT3 O ATOM 45200 H1 TIP3 7467 43.256 96.541 41.488 1.00 0.00 WT3 H ATOM 45201 H2 TIP3 7467 42.733 96.197 40.109 1.00 0.00 WT3 H ATOM 45202 OH2 TIP3 7471 76.364 79.823 -15.041 1.00 0.00 WT3 O ATOM 45203 H1 TIP3 7471 76.626 78.955 -14.733 1.00 0.00 WT3 H ATOM 45204 H2 TIP3 7471 76.932 80.428 -14.565 1.00 0.00 WT3 H ATOM 45205 OH2 TIP3 7472 59.391 5.128 26.654 1.00 0.00 WT3 O ATOM 45206 H1 TIP3 7472 59.111 4.721 27.475 1.00 0.00 WT3 H ATOM 45207 H2 TIP3 7472 59.563 4.391 26.068 1.00 0.00 WT3 H ATOM 45208 OH2 TIP3 7473 74.718 47.788 52.451 1.00 0.00 WT3 O ATOM 45209 H1 TIP3 7473 74.436 48.520 53.000 1.00 0.00 WT3 H ATOM 45210 H2 TIP3 7473 74.541 48.078 51.555 1.00 0.00 WT3 H ATOM 45211 OH2 TIP3 7474 41.278 45.546 27.967 1.00 0.00 WT3 O ATOM 45212 H1 TIP3 7474 41.255 45.284 27.046 1.00 0.00 WT3 H ATOM 45213 H2 TIP3 7474 41.808 46.343 27.977 1.00 0.00 WT3 H ATOM 45214 OH2 TIP3 7476 21.104 54.522 48.169 1.00 0.00 WT3 O ATOM 45215 H1 TIP3 7476 21.796 54.034 47.723 1.00 0.00 WT3 H ATOM 45216 H2 TIP3 7476 21.310 55.441 47.996 1.00 0.00 WT3 H ATOM 45217 OH2 TIP3 7479 28.488 57.466 57.044 1.00 0.00 WT3 O ATOM 45218 H1 TIP3 7479 28.906 57.530 56.185 1.00 0.00 WT3 H ATOM 45219 H2 TIP3 7479 27.551 57.434 56.853 1.00 0.00 WT3 H ATOM 45220 OH2 TIP3 7480 53.190 48.467 -8.649 1.00 0.00 WT3 O ATOM 45221 H1 TIP3 7480 52.290 48.626 -8.931 1.00 0.00 WT3 H ATOM 45222 H2 TIP3 7480 53.108 48.146 -7.751 1.00 0.00 WT3 H ATOM 45223 OH2 TIP3 7483 71.119 0.891 12.201 1.00 0.00 WT3 O ATOM 45224 H1 TIP3 7483 71.193 0.385 11.392 1.00 0.00 WT3 H ATOM 45225 H2 TIP3 7483 70.223 0.736 12.500 1.00 0.00 WT3 H ATOM 45226 OH2 TIP3 7486 82.853 50.271 16.018 1.00 0.00 WT3 O ATOM 45227 H1 TIP3 7486 83.618 49.991 15.514 1.00 0.00 WT3 H ATOM 45228 H2 TIP3 7486 82.325 49.478 16.111 1.00 0.00 WT3 H ATOM 45229 OH2 TIP3 7490 52.809 35.076 41.641 1.00 0.00 WT3 O ATOM 45230 H1 TIP3 7490 53.343 35.610 41.052 1.00 0.00 WT3 H ATOM 45231 H2 TIP3 7490 51.987 35.559 41.724 1.00 0.00 WT3 H ATOM 45232 OH2 TIP3 7492 61.463 54.700 60.122 1.00 0.00 WT3 O ATOM 45233 H1 TIP3 7492 60.996 54.175 60.771 1.00 0.00 WT3 H ATOM 45234 H2 TIP3 7492 60.835 54.812 59.407 1.00 0.00 WT3 H ATOM 45235 OH2 TIP3 7493 89.717 49.674 46.052 1.00 0.00 WT3 O ATOM 45236 H1 TIP3 7493 90.668 49.780 46.019 1.00 0.00 WT3 H ATOM 45237 H2 TIP3 7493 89.444 49.673 45.135 1.00 0.00 WT3 H ATOM 45238 OH2 TIP3 7494 60.543 39.084 -3.703 1.00 0.00 WT3 O ATOM 45239 H1 TIP3 7494 59.690 39.240 -3.299 1.00 0.00 WT3 H ATOM 45240 H2 TIP3 7494 61.163 39.549 -3.141 1.00 0.00 WT3 H ATOM 45241 OH2 TIP3 7495 46.789 10.892 0.149 1.00 0.00 WT3 O ATOM 45242 H1 TIP3 7495 46.143 11.536 0.438 1.00 0.00 WT3 H ATOM 45243 H2 TIP3 7495 47.325 10.726 0.924 1.00 0.00 WT3 H ATOM 45244 OH2 TIP3 7497 29.351 39.361 -8.352 1.00 0.00 WT3 O ATOM 45245 H1 TIP3 7497 28.880 40.047 -8.826 1.00 0.00 WT3 H ATOM 45246 H2 TIP3 7497 29.501 39.731 -7.482 1.00 0.00 WT3 H ATOM 45247 OH2 TIP3 7498 39.167 58.414 15.121 1.00 0.00 WT3 O ATOM 45248 H1 TIP3 7498 39.687 59.122 15.502 1.00 0.00 WT3 H ATOM 45249 H2 TIP3 7498 38.710 58.024 15.867 1.00 0.00 WT3 H ATOM 45250 OH2 TIP3 7500 73.028 44.474 57.199 1.00 0.00 WT3 O ATOM 45251 H1 TIP3 7500 72.859 44.592 56.264 1.00 0.00 WT3 H ATOM 45252 H2 TIP3 7500 72.842 45.329 57.587 1.00 0.00 WT3 H ATOM 45253 OH2 TIP3 7501 29.314 63.674 -2.923 1.00 0.00 WT3 O ATOM 45254 H1 TIP3 7501 28.813 64.475 -2.769 1.00 0.00 WT3 H ATOM 45255 H2 TIP3 7501 29.484 63.326 -2.047 1.00 0.00 WT3 H ATOM 45256 OH2 TIP3 7503 62.867 83.620 46.047 1.00 0.00 WT3 O ATOM 45257 H1 TIP3 7503 63.533 83.661 46.733 1.00 0.00 WT3 H ATOM 45258 H2 TIP3 7503 62.134 84.128 46.393 1.00 0.00 WT3 H ATOM 45259 OH2 TIP3 7504 62.264 80.144 3.076 1.00 0.00 WT3 O ATOM 45260 H1 TIP3 7504 62.101 79.202 3.040 1.00 0.00 WT3 H ATOM 45261 H2 TIP3 7504 62.080 80.386 3.983 1.00 0.00 WT3 H ATOM 45262 OH2 TIP3 7505 57.854 71.606 -4.079 1.00 0.00 WT3 O ATOM 45263 H1 TIP3 7505 56.933 71.348 -4.115 1.00 0.00 WT3 H ATOM 45264 H2 TIP3 7505 58.193 71.177 -3.293 1.00 0.00 WT3 H ATOM 45265 OH2 TIP3 7507 39.068 93.637 52.170 1.00 0.00 WT3 O ATOM 45266 H1 TIP3 7507 39.248 94.236 51.445 1.00 0.00 WT3 H ATOM 45267 H2 TIP3 7507 38.118 93.525 52.158 1.00 0.00 WT3 H ATOM 45268 OH2 TIP3 7508 73.932 1.705 -10.025 1.00 0.00 WT3 O ATOM 45269 H1 TIP3 7508 73.300 1.422 -10.685 1.00 0.00 WT3 H ATOM 45270 H2 TIP3 7508 74.113 0.918 -9.511 1.00 0.00 WT3 H ATOM 45271 OH2 TIP3 7509 51.644 53.514 50.299 1.00 0.00 WT3 O ATOM 45272 H1 TIP3 7509 52.023 54.280 49.868 1.00 0.00 WT3 H ATOM 45273 H2 TIP3 7509 51.674 52.825 49.635 1.00 0.00 WT3 H ATOM 45274 OH2 TIP3 7510 82.603 32.420 -9.396 1.00 0.00 WT3 O ATOM 45275 H1 TIP3 7510 82.058 31.952 -10.029 1.00 0.00 WT3 H ATOM 45276 H2 TIP3 7510 83.209 31.758 -9.065 1.00 0.00 WT3 H ATOM 45277 OH2 TIP3 7511 51.362 51.992 -11.677 1.00 0.00 WT3 O ATOM 45278 H1 TIP3 7511 52.244 51.764 -11.971 1.00 0.00 WT3 H ATOM 45279 H2 TIP3 7511 51.493 52.707 -11.056 1.00 0.00 WT3 H ATOM 45280 OH2 TIP3 7513 86.862 66.588 11.238 1.00 0.00 WT3 O ATOM 45281 H1 TIP3 7513 86.052 66.997 10.932 1.00 0.00 WT3 H ATOM 45282 H2 TIP3 7513 86.632 65.667 11.365 1.00 0.00 WT3 H ATOM 45283 OH2 TIP3 7516 82.153 94.015 4.607 1.00 0.00 WT3 O ATOM 45284 H1 TIP3 7516 81.670 94.275 3.822 1.00 0.00 WT3 H ATOM 45285 H2 TIP3 7516 82.792 93.375 4.294 1.00 0.00 WT3 H ATOM 45286 OH2 TIP3 7519 21.277 51.350 6.120 1.00 0.00 WT3 O ATOM 45287 H1 TIP3 7519 21.440 50.694 6.797 1.00 0.00 WT3 H ATOM 45288 H2 TIP3 7519 21.109 50.841 5.328 1.00 0.00 WT3 H ATOM 45289 OH2 TIP3 7520 73.109 47.678 38.169 1.00 0.00 WT3 O ATOM 45290 H1 TIP3 7520 73.356 48.326 37.509 1.00 0.00 WT3 H ATOM 45291 H2 TIP3 7520 72.205 47.898 38.394 1.00 0.00 WT3 H ATOM 45292 OH2 TIP3 7522 85.808 50.544 26.108 1.00 0.00 WT3 O ATOM 45293 H1 TIP3 7522 85.127 51.216 26.125 1.00 0.00 WT3 H ATOM 45294 H2 TIP3 7522 85.683 50.095 25.272 1.00 0.00 WT3 H ATOM 45295 OH2 TIP3 7523 51.228 23.920 31.733 1.00 0.00 WT3 O ATOM 45296 H1 TIP3 7523 50.491 24.505 31.558 1.00 0.00 WT3 H ATOM 45297 H2 TIP3 7523 51.053 23.147 31.197 1.00 0.00 WT3 H ATOM 45298 OH2 TIP3 7524 47.147 87.136 -14.416 1.00 0.00 WT3 O ATOM 45299 H1 TIP3 7524 46.804 87.951 -14.049 1.00 0.00 WT3 H ATOM 45300 H2 TIP3 7524 46.700 87.045 -15.258 1.00 0.00 WT3 H ATOM 45301 OH2 TIP3 7525 60.528 59.823 22.910 1.00 0.00 WT3 O ATOM 45302 H1 TIP3 7525 59.919 60.553 22.790 1.00 0.00 WT3 H ATOM 45303 H2 TIP3 7525 60.062 59.063 22.562 1.00 0.00 WT3 H ATOM 45304 OH2 TIP3 7526 22.123 51.952 19.801 1.00 0.00 WT3 O ATOM 45305 H1 TIP3 7526 22.123 51.825 20.750 1.00 0.00 WT3 H ATOM 45306 H2 TIP3 7526 22.766 52.644 19.652 1.00 0.00 WT3 H ATOM 45307 OH2 TIP3 7527 88.733 65.248 7.874 1.00 0.00 WT3 O ATOM 45308 H1 TIP3 7527 88.384 64.479 8.325 1.00 0.00 WT3 H ATOM 45309 H2 TIP3 7527 88.542 65.090 6.949 1.00 0.00 WT3 H ATOM 45310 OH2 TIP3 7528 89.173 41.689 49.630 1.00 0.00 WT3 O ATOM 45311 H1 TIP3 7528 89.550 41.453 50.477 1.00 0.00 WT3 H ATOM 45312 H2 TIP3 7528 88.881 42.594 49.740 1.00 0.00 WT3 H ATOM 45313 OH2 TIP3 7529 55.095 72.163 26.931 1.00 0.00 WT3 O ATOM 45314 H1 TIP3 7529 55.725 71.772 26.326 1.00 0.00 WT3 H ATOM 45315 H2 TIP3 7529 54.555 71.428 27.224 1.00 0.00 WT3 H ATOM 45316 OH2 TIP3 7530 53.130 67.655 31.152 1.00 0.00 WT3 O ATOM 45317 H1 TIP3 7530 53.436 68.287 31.803 1.00 0.00 WT3 H ATOM 45318 H2 TIP3 7530 53.718 67.774 30.407 1.00 0.00 WT3 H ATOM 45319 OH2 TIP3 7531 86.476 36.511 28.421 1.00 0.00 WT3 O ATOM 45320 H1 TIP3 7531 85.907 36.226 27.707 1.00 0.00 WT3 H ATOM 45321 H2 TIP3 7531 86.812 37.361 28.137 1.00 0.00 WT3 H ATOM 45322 OH2 TIP3 7532 75.191 84.244 47.605 1.00 0.00 WT3 O ATOM 45323 H1 TIP3 7532 75.735 83.516 47.305 1.00 0.00 WT3 H ATOM 45324 H2 TIP3 7532 75.657 85.028 47.314 1.00 0.00 WT3 H ATOM 45325 OH2 TIP3 7537 24.534 71.102 13.670 1.00 0.00 WT3 O ATOM 45326 H1 TIP3 7537 24.118 71.781 14.201 1.00 0.00 WT3 H ATOM 45327 H2 TIP3 7537 24.328 70.284 14.122 1.00 0.00 WT3 H ATOM 45328 OH2 TIP3 7538 90.205 78.555 5.556 1.00 0.00 WT3 O ATOM 45329 H1 TIP3 7538 90.738 77.760 5.561 1.00 0.00 WT3 H ATOM 45330 H2 TIP3 7538 89.763 78.552 6.405 1.00 0.00 WT3 H ATOM 45331 OH2 TIP3 7539 77.861 94.736 -8.303 1.00 0.00 WT3 O ATOM 45332 H1 TIP3 7539 77.264 94.334 -8.934 1.00 0.00 WT3 H ATOM 45333 H2 TIP3 7539 77.352 94.795 -7.494 1.00 0.00 WT3 H ATOM 45334 OH2 TIP3 7540 80.461 30.025 26.165 1.00 0.00 WT3 O ATOM 45335 H1 TIP3 7540 80.577 30.245 25.241 1.00 0.00 WT3 H ATOM 45336 H2 TIP3 7540 80.003 30.779 26.536 1.00 0.00 WT3 H ATOM 45337 OH2 TIP3 7541 27.240 5.941 51.680 1.00 0.00 WT3 O ATOM 45338 H1 TIP3 7541 26.518 6.554 51.544 1.00 0.00 WT3 H ATOM 45339 H2 TIP3 7541 27.066 5.226 51.067 1.00 0.00 WT3 H ATOM 45340 OH2 TIP3 7542 81.752 61.699 23.786 1.00 0.00 WT3 O ATOM 45341 H1 TIP3 7542 81.162 61.673 23.033 1.00 0.00 WT3 H ATOM 45342 H2 TIP3 7542 81.252 62.150 24.467 1.00 0.00 WT3 H ATOM 45343 OH2 TIP3 7544 82.677 72.397 38.494 1.00 0.00 WT3 O ATOM 45344 H1 TIP3 7544 82.701 72.453 39.449 1.00 0.00 WT3 H ATOM 45345 H2 TIP3 7544 83.265 71.672 38.281 1.00 0.00 WT3 H ATOM 45346 OH2 TIP3 7545 35.693 59.818 20.039 1.00 0.00 WT3 O ATOM 45347 H1 TIP3 7545 35.535 60.077 20.947 1.00 0.00 WT3 H ATOM 45348 H2 TIP3 7545 36.582 60.121 19.855 1.00 0.00 WT3 H ATOM 45349 OH2 TIP3 7547 69.755 33.602 64.616 1.00 0.00 WT3 O ATOM 45350 H1 TIP3 7547 69.367 34.105 63.900 1.00 0.00 WT3 H ATOM 45351 H2 TIP3 7547 69.122 33.676 65.331 1.00 0.00 WT3 H ATOM 45352 OH2 TIP3 7550 29.980 89.393 1.395 1.00 0.00 WT3 O ATOM 45353 H1 TIP3 7550 29.193 88.987 1.759 1.00 0.00 WT3 H ATOM 45354 H2 TIP3 7550 29.795 90.332 1.413 1.00 0.00 WT3 H ATOM 45355 OH2 TIP3 7551 31.902 22.310 23.029 1.00 0.00 WT3 O ATOM 45356 H1 TIP3 7551 31.860 22.651 22.136 1.00 0.00 WT3 H ATOM 45357 H2 TIP3 7551 32.834 22.320 23.246 1.00 0.00 WT3 H ATOM 45358 OH2 TIP3 7552 64.655 71.680 -8.132 1.00 0.00 WT3 O ATOM 45359 H1 TIP3 7552 64.519 71.901 -9.054 1.00 0.00 WT3 H ATOM 45360 H2 TIP3 7552 65.476 71.188 -8.122 1.00 0.00 WT3 H ATOM 45361 OH2 TIP3 7553 35.430 79.214 33.343 1.00 0.00 WT3 O ATOM 45362 H1 TIP3 7553 35.715 78.502 33.916 1.00 0.00 WT3 H ATOM 45363 H2 TIP3 7553 35.071 78.774 32.573 1.00 0.00 WT3 H ATOM 45364 OH2 TIP3 7554 45.111 74.444 47.804 1.00 0.00 WT3 O ATOM 45365 H1 TIP3 7554 44.545 73.763 48.168 1.00 0.00 WT3 H ATOM 45366 H2 TIP3 7554 45.709 73.974 47.223 1.00 0.00 WT3 H ATOM 45367 OH2 TIP3 7555 61.591 55.835 -5.219 1.00 0.00 WT3 O ATOM 45368 H1 TIP3 7555 62.119 55.290 -4.636 1.00 0.00 WT3 H ATOM 45369 H2 TIP3 7555 60.785 55.999 -4.730 1.00 0.00 WT3 H ATOM 45370 OH2 TIP3 7556 62.183 53.175 22.501 1.00 0.00 WT3 O ATOM 45371 H1 TIP3 7556 61.537 52.558 22.844 1.00 0.00 WT3 H ATOM 45372 H2 TIP3 7556 61.851 53.414 21.635 1.00 0.00 WT3 H ATOM 45373 OH2 TIP3 7557 58.483 20.536 24.586 1.00 0.00 WT3 O ATOM 45374 H1 TIP3 7557 58.594 20.806 25.497 1.00 0.00 WT3 H ATOM 45375 H2 TIP3 7557 57.607 20.842 24.349 1.00 0.00 WT3 H ATOM 45376 OH2 TIP3 7558 34.353 74.003 43.815 1.00 0.00 WT3 O ATOM 45377 H1 TIP3 7558 33.793 73.261 43.587 1.00 0.00 WT3 H ATOM 45378 H2 TIP3 7558 34.908 74.131 43.046 1.00 0.00 WT3 H ATOM 45379 OH2 TIP3 7559 26.590 22.492 7.170 1.00 0.00 WT3 O ATOM 45380 H1 TIP3 7559 27.512 22.561 7.418 1.00 0.00 WT3 H ATOM 45381 H2 TIP3 7559 26.524 22.987 6.352 1.00 0.00 WT3 H ATOM 45382 OH2 TIP3 7560 90.187 79.124 1.647 1.00 0.00 WT3 O ATOM 45383 H1 TIP3 7560 89.739 79.472 2.418 1.00 0.00 WT3 H ATOM 45384 H2 TIP3 7560 90.087 78.175 1.719 1.00 0.00 WT3 H ATOM 45385 OH2 TIP3 7561 37.899 77.944 -15.870 1.00 0.00 WT3 O ATOM 45386 H1 TIP3 7561 37.776 77.565 -14.999 1.00 0.00 WT3 H ATOM 45387 H2 TIP3 7561 38.827 78.177 -15.900 1.00 0.00 WT3 H ATOM 45388 OH2 TIP3 7562 68.731 65.827 63.592 1.00 0.00 WT3 O ATOM 45389 H1 TIP3 7562 69.642 65.533 63.597 1.00 0.00 WT3 H ATOM 45390 H2 TIP3 7562 68.702 66.510 62.923 1.00 0.00 WT3 H ATOM 45391 OH2 TIP3 7563 76.673 60.398 18.842 1.00 0.00 WT3 O ATOM 45392 H1 TIP3 7563 76.211 61.179 18.540 1.00 0.00 WT3 H ATOM 45393 H2 TIP3 7563 77.315 60.727 19.472 1.00 0.00 WT3 H ATOM 45394 OH2 TIP3 7564 74.598 8.811 -18.802 1.00 0.00 WT3 O ATOM 45395 H1 TIP3 7564 73.978 9.528 -18.670 1.00 0.00 WT3 H ATOM 45396 H2 TIP3 7564 75.028 9.015 -19.633 1.00 0.00 WT3 H ATOM 45397 OH2 TIP3 7567 68.498 60.398 33.164 1.00 0.00 WT3 O ATOM 45398 H1 TIP3 7567 67.633 60.601 33.520 1.00 0.00 WT3 H ATOM 45399 H2 TIP3 7567 68.487 59.450 33.033 1.00 0.00 WT3 H ATOM 45400 OH2 TIP3 7568 30.467 49.154 -7.344 1.00 0.00 WT3 O ATOM 45401 H1 TIP3 7568 30.116 49.877 -6.825 1.00 0.00 WT3 H ATOM 45402 H2 TIP3 7568 29.730 48.862 -7.880 1.00 0.00 WT3 H ATOM 45403 OH2 TIP3 7570 31.293 26.435 36.866 1.00 0.00 WT3 O ATOM 45404 H1 TIP3 7570 30.907 26.981 37.551 1.00 0.00 WT3 H ATOM 45405 H2 TIP3 7570 30.587 26.307 36.234 1.00 0.00 WT3 H ATOM 45406 OH2 TIP3 7571 87.965 44.252 49.653 1.00 0.00 WT3 O ATOM 45407 H1 TIP3 7571 87.073 43.992 49.885 1.00 0.00 WT3 H ATOM 45408 H2 TIP3 7571 87.904 45.192 49.483 1.00 0.00 WT3 H ATOM 45409 OH2 TIP3 7572 56.203 17.124 60.412 1.00 0.00 WT3 O ATOM 45410 H1 TIP3 7572 56.764 17.296 59.656 1.00 0.00 WT3 H ATOM 45411 H2 TIP3 7572 56.722 16.542 60.968 1.00 0.00 WT3 H ATOM 45412 OH2 TIP3 7574 77.052 4.122 -5.162 1.00 0.00 WT3 O ATOM 45413 H1 TIP3 7574 77.211 3.542 -4.417 1.00 0.00 WT3 H ATOM 45414 H2 TIP3 7574 77.336 4.985 -4.860 1.00 0.00 WT3 H ATOM 45415 OH2 TIP3 7575 43.812 80.977 -14.170 1.00 0.00 WT3 O ATOM 45416 H1 TIP3 7575 43.850 80.667 -13.266 1.00 0.00 WT3 H ATOM 45417 H2 TIP3 7575 44.286 80.313 -14.672 1.00 0.00 WT3 H ATOM 45418 OH2 TIP3 7576 41.613 94.434 2.404 1.00 0.00 WT3 O ATOM 45419 H1 TIP3 7576 41.014 93.692 2.488 1.00 0.00 WT3 H ATOM 45420 H2 TIP3 7576 41.455 94.960 3.188 1.00 0.00 WT3 H ATOM 45421 OH2 TIP3 7578 48.177 68.423 65.502 1.00 0.00 WT3 O ATOM 45422 H1 TIP3 7578 49.029 68.855 65.566 1.00 0.00 WT3 H ATOM 45423 H2 TIP3 7578 47.842 68.680 64.643 1.00 0.00 WT3 H ATOM 45424 OH2 TIP3 7579 38.772 69.784 31.712 1.00 0.00 WT3 O ATOM 45425 H1 TIP3 7579 39.288 69.811 32.518 1.00 0.00 WT3 H ATOM 45426 H2 TIP3 7579 39.391 69.493 31.041 1.00 0.00 WT3 H ATOM 45427 OH2 TIP3 7580 69.845 62.408 2.831 1.00 0.00 WT3 O ATOM 45428 H1 TIP3 7580 70.383 62.701 3.566 1.00 0.00 WT3 H ATOM 45429 H2 TIP3 7580 69.150 63.062 2.764 1.00 0.00 WT3 H ATOM 45430 OH2 TIP3 7581 58.250 1.901 40.402 1.00 0.00 WT3 O ATOM 45431 H1 TIP3 7581 57.695 2.632 40.675 1.00 0.00 WT3 H ATOM 45432 H2 TIP3 7581 57.809 1.124 40.746 1.00 0.00 WT3 H ATOM 45433 OH2 TIP3 7582 52.703 10.008 28.627 1.00 0.00 WT3 O ATOM 45434 H1 TIP3 7582 51.868 9.547 28.549 1.00 0.00 WT3 H ATOM 45435 H2 TIP3 7582 53.120 9.894 27.773 1.00 0.00 WT3 H ATOM 45436 OH2 TIP3 7584 84.011 41.400 41.005 1.00 0.00 WT3 O ATOM 45437 H1 TIP3 7584 83.952 42.339 41.178 1.00 0.00 WT3 H ATOM 45438 H2 TIP3 7584 83.860 40.989 41.857 1.00 0.00 WT3 H ATOM 45439 OH2 TIP3 7585 25.109 9.429 56.689 1.00 0.00 WT3 O ATOM 45440 H1 TIP3 7585 25.227 10.379 56.677 1.00 0.00 WT3 H ATOM 45441 H2 TIP3 7585 24.168 9.302 56.565 1.00 0.00 WT3 H ATOM 45442 OH2 TIP3 7586 28.366 7.193 -13.892 1.00 0.00 WT3 O ATOM 45443 H1 TIP3 7586 28.142 8.096 -13.666 1.00 0.00 WT3 H ATOM 45444 H2 TIP3 7586 28.873 6.877 -13.144 1.00 0.00 WT3 H ATOM 45445 OH2 TIP3 7587 21.915 18.748 53.489 1.00 0.00 WT3 O ATOM 45446 H1 TIP3 7587 22.847 18.958 53.424 1.00 0.00 WT3 H ATOM 45447 H2 TIP3 7587 21.803 18.428 54.384 1.00 0.00 WT3 H ATOM 45448 OH2 TIP3 7588 75.586 69.182 37.178 1.00 0.00 WT3 O ATOM 45449 H1 TIP3 7588 75.070 69.986 37.244 1.00 0.00 WT3 H ATOM 45450 H2 TIP3 7588 74.989 68.545 36.786 1.00 0.00 WT3 H ATOM 45451 OH2 TIP3 7589 21.068 89.473 -6.885 1.00 0.00 WT3 O ATOM 45452 H1 TIP3 7589 21.488 89.505 -6.026 1.00 0.00 WT3 H ATOM 45453 H2 TIP3 7589 20.827 90.382 -7.068 1.00 0.00 WT3 H ATOM 45454 OH2 TIP3 7590 66.271 68.397 -3.007 1.00 0.00 WT3 O ATOM 45455 H1 TIP3 7590 66.770 67.680 -3.398 1.00 0.00 WT3 H ATOM 45456 H2 TIP3 7590 65.880 68.853 -3.752 1.00 0.00 WT3 H ATOM 45457 OH2 TIP3 7591 71.574 79.681 14.524 1.00 0.00 WT3 O ATOM 45458 H1 TIP3 7591 72.225 80.302 14.198 1.00 0.00 WT3 H ATOM 45459 H2 TIP3 7591 71.771 78.864 14.066 1.00 0.00 WT3 H ATOM 45460 OH2 TIP3 7592 47.941 16.655 29.505 1.00 0.00 WT3 O ATOM 45461 H1 TIP3 7592 47.463 17.066 28.785 1.00 0.00 WT3 H ATOM 45462 H2 TIP3 7592 48.059 17.357 30.145 1.00 0.00 WT3 H ATOM 45463 OH2 TIP3 7593 31.839 2.861 24.406 1.00 0.00 WT3 O ATOM 45464 H1 TIP3 7593 31.928 2.080 23.860 1.00 0.00 WT3 H ATOM 45465 H2 TIP3 7593 31.607 3.558 23.792 1.00 0.00 WT3 H ATOM 45466 OH2 TIP3 7594 89.720 74.413 48.218 1.00 0.00 WT3 O ATOM 45467 H1 TIP3 7594 89.606 73.689 48.835 1.00 0.00 WT3 H ATOM 45468 H2 TIP3 7594 90.219 74.035 47.494 1.00 0.00 WT3 H ATOM 45469 OH2 TIP3 7595 32.325 81.502 29.324 1.00 0.00 WT3 O ATOM 45470 H1 TIP3 7595 32.283 80.788 28.689 1.00 0.00 WT3 H ATOM 45471 H2 TIP3 7595 31.439 81.862 29.340 1.00 0.00 WT3 H ATOM 45472 OH2 TIP3 7596 58.820 79.634 -14.818 1.00 0.00 WT3 O ATOM 45473 H1 TIP3 7596 59.451 79.161 -15.361 1.00 0.00 WT3 H ATOM 45474 H2 TIP3 7596 58.645 79.044 -14.085 1.00 0.00 WT3 H ATOM 45475 OH2 TIP3 7597 61.215 16.976 11.245 1.00 0.00 WT3 O ATOM 45476 H1 TIP3 7597 60.838 16.943 12.124 1.00 0.00 WT3 H ATOM 45477 H2 TIP3 7597 60.904 17.805 10.882 1.00 0.00 WT3 H ATOM 45478 OH2 TIP3 7598 85.784 2.305 32.504 1.00 0.00 WT3 O ATOM 45479 H1 TIP3 7598 85.425 2.686 31.702 1.00 0.00 WT3 H ATOM 45480 H2 TIP3 7598 86.008 1.406 32.263 1.00 0.00 WT3 H ATOM 45481 OH2 TIP3 7599 33.576 35.305 15.105 1.00 0.00 WT3 O ATOM 45482 H1 TIP3 7599 34.482 35.009 15.015 1.00 0.00 WT3 H ATOM 45483 H2 TIP3 7599 33.451 35.411 16.048 1.00 0.00 WT3 H ATOM 45484 OH2 TIP3 7600 27.296 26.909 -13.291 1.00 0.00 WT3 O ATOM 45485 H1 TIP3 7600 26.468 26.742 -13.741 1.00 0.00 WT3 H ATOM 45486 H2 TIP3 7600 27.707 26.048 -13.216 1.00 0.00 WT3 H ATOM 45487 OH2 TIP3 7602 80.029 0.571 55.584 1.00 0.00 WT3 O ATOM 45488 H1 TIP3 7602 79.960 1.066 56.400 1.00 0.00 WT3 H ATOM 45489 H2 TIP3 7602 80.671 -0.114 55.771 1.00 0.00 WT3 H ATOM 45490 OH2 TIP3 7604 67.671 4.050 -12.600 1.00 0.00 WT3 O ATOM 45491 H1 TIP3 7604 68.456 3.512 -12.496 1.00 0.00 WT3 H ATOM 45492 H2 TIP3 7604 68.003 4.943 -12.697 1.00 0.00 WT3 H ATOM 45493 OH2 TIP3 7605 83.022 15.919 -5.630 1.00 0.00 WT3 O ATOM 45494 H1 TIP3 7605 83.927 15.609 -5.678 1.00 0.00 WT3 H ATOM 45495 H2 TIP3 7605 83.067 16.706 -5.086 1.00 0.00 WT3 H ATOM 45496 OH2 TIP3 7606 83.514 42.306 33.431 1.00 0.00 WT3 O ATOM 45497 H1 TIP3 7606 84.458 42.158 33.485 1.00 0.00 WT3 H ATOM 45498 H2 TIP3 7606 83.127 41.562 33.893 1.00 0.00 WT3 H ATOM 45499 OH2 TIP3 7608 57.816 29.109 5.109 1.00 0.00 WT3 O ATOM 45500 H1 TIP3 7608 58.248 28.900 5.937 1.00 0.00 WT3 H ATOM 45501 H2 TIP3 7608 57.538 30.020 5.207 1.00 0.00 WT3 H ATOM 45502 OH2 TIP3 7609 41.888 14.089 14.496 1.00 0.00 WT3 O ATOM 45503 H1 TIP3 7609 42.402 13.725 15.217 1.00 0.00 WT3 H ATOM 45504 H2 TIP3 7609 42.466 14.734 14.091 1.00 0.00 WT3 H ATOM 45505 OH2 TIP3 7610 27.148 90.296 18.735 1.00 0.00 WT3 O ATOM 45506 H1 TIP3 7610 26.750 90.683 19.515 1.00 0.00 WT3 H ATOM 45507 H2 TIP3 7610 26.471 89.718 18.382 1.00 0.00 WT3 H ATOM 45508 OH2 TIP3 7611 43.418 12.608 3.089 1.00 0.00 WT3 O ATOM 45509 H1 TIP3 7611 42.755 13.156 2.669 1.00 0.00 WT3 H ATOM 45510 H2 TIP3 7611 42.916 11.947 3.566 1.00 0.00 WT3 H ATOM 45511 OH2 TIP3 7612 64.476 82.447 38.946 1.00 0.00 WT3 O ATOM 45512 H1 TIP3 7612 65.215 82.760 38.424 1.00 0.00 WT3 H ATOM 45513 H2 TIP3 7612 64.826 81.702 39.435 1.00 0.00 WT3 H ATOM 45514 OH2 TIP3 7613 31.720 16.067 30.077 1.00 0.00 WT3 O ATOM 45515 H1 TIP3 7613 31.499 15.712 30.938 1.00 0.00 WT3 H ATOM 45516 H2 TIP3 7613 32.063 15.319 29.589 1.00 0.00 WT3 H ATOM 45517 OH2 TIP3 7614 24.885 39.146 38.051 1.00 0.00 WT3 O ATOM 45518 H1 TIP3 7614 24.867 38.511 37.335 1.00 0.00 WT3 H ATOM 45519 H2 TIP3 7614 24.124 39.705 37.895 1.00 0.00 WT3 H ATOM 45520 OH2 TIP3 7615 71.391 52.140 -11.627 1.00 0.00 WT3 O ATOM 45521 H1 TIP3 7615 70.563 52.112 -12.107 1.00 0.00 WT3 H ATOM 45522 H2 TIP3 7615 71.192 51.739 -10.781 1.00 0.00 WT3 H ATOM 45523 OH2 TIP3 7616 30.304 75.909 16.488 1.00 0.00 WT3 O ATOM 45524 H1 TIP3 7616 30.915 76.151 15.792 1.00 0.00 WT3 H ATOM 45525 H2 TIP3 7616 30.729 76.205 17.293 1.00 0.00 WT3 H ATOM 45526 OH2 TIP3 7617 70.732 58.278 54.761 1.00 0.00 WT3 O ATOM 45527 H1 TIP3 7617 71.225 57.484 54.553 1.00 0.00 WT3 H ATOM 45528 H2 TIP3 7617 70.028 58.300 54.113 1.00 0.00 WT3 H ATOM 45529 OH2 TIP3 7618 54.200 14.309 42.434 1.00 0.00 WT3 O ATOM 45530 H1 TIP3 7618 53.269 14.425 42.244 1.00 0.00 WT3 H ATOM 45531 H2 TIP3 7618 54.221 13.671 43.147 1.00 0.00 WT3 H ATOM 45532 OH2 TIP3 7619 89.279 40.860 13.528 1.00 0.00 WT3 O ATOM 45533 H1 TIP3 7619 89.994 41.472 13.352 1.00 0.00 WT3 H ATOM 45534 H2 TIP3 7619 89.693 39.997 13.514 1.00 0.00 WT3 H ATOM 45535 OH2 TIP3 7620 81.328 0.894 -3.077 1.00 0.00 WT3 O ATOM 45536 H1 TIP3 7620 81.161 1.328 -2.241 1.00 0.00 WT3 H ATOM 45537 H2 TIP3 7620 82.270 0.991 -3.214 1.00 0.00 WT3 H ATOM 45538 OH2 TIP3 7621 61.878 84.881 26.844 1.00 0.00 WT3 O ATOM 45539 H1 TIP3 7621 61.767 84.770 27.788 1.00 0.00 WT3 H ATOM 45540 H2 TIP3 7621 61.670 84.022 26.476 1.00 0.00 WT3 H ATOM 45541 OH2 TIP3 7623 45.176 12.074 42.369 1.00 0.00 WT3 O ATOM 45542 H1 TIP3 7623 45.233 11.231 41.919 1.00 0.00 WT3 H ATOM 45543 H2 TIP3 7623 46.009 12.505 42.179 1.00 0.00 WT3 H ATOM 45544 OH2 TIP3 7624 59.453 85.129 55.611 1.00 0.00 WT3 O ATOM 45545 H1 TIP3 7624 59.099 84.600 54.896 1.00 0.00 WT3 H ATOM 45546 H2 TIP3 7624 60.298 85.438 55.285 1.00 0.00 WT3 H ATOM 45547 OH2 TIP3 7625 88.963 22.638 -17.745 1.00 0.00 WT3 O ATOM 45548 H1 TIP3 7625 89.747 22.103 -17.872 1.00 0.00 WT3 H ATOM 45549 H2 TIP3 7625 89.200 23.247 -17.046 1.00 0.00 WT3 H ATOM 45550 OH2 TIP3 7626 81.013 85.230 24.109 1.00 0.00 WT3 O ATOM 45551 H1 TIP3 7626 81.521 85.089 23.310 1.00 0.00 WT3 H ATOM 45552 H2 TIP3 7626 80.811 84.349 24.424 1.00 0.00 WT3 H ATOM 45553 OH2 TIP3 7627 86.069 82.135 18.086 1.00 0.00 WT3 O ATOM 45554 H1 TIP3 7627 86.204 81.213 17.867 1.00 0.00 WT3 H ATOM 45555 H2 TIP3 7627 86.392 82.218 18.984 1.00 0.00 WT3 H ATOM 45556 OH2 TIP3 7628 32.361 81.813 43.251 1.00 0.00 WT3 O ATOM 45557 H1 TIP3 7628 32.732 80.931 43.209 1.00 0.00 WT3 H ATOM 45558 H2 TIP3 7628 32.970 82.353 42.747 1.00 0.00 WT3 H ATOM 45559 OH2 TIP3 7629 20.777 76.243 31.068 1.00 0.00 WT3 O ATOM 45560 H1 TIP3 7629 21.465 75.652 30.764 1.00 0.00 WT3 H ATOM 45561 H2 TIP3 7629 20.332 75.757 31.762 1.00 0.00 WT3 H ATOM 45562 OH2 TIP3 7630 30.157 73.487 -5.861 1.00 0.00 WT3 O ATOM 45563 H1 TIP3 7630 30.826 73.544 -6.544 1.00 0.00 WT3 H ATOM 45564 H2 TIP3 7630 30.322 72.647 -5.433 1.00 0.00 WT3 H ATOM 45565 OH2 TIP3 7631 43.054 53.417 17.055 1.00 0.00 WT3 O ATOM 45566 H1 TIP3 7631 42.655 54.112 17.578 1.00 0.00 WT3 H ATOM 45567 H2 TIP3 7631 43.996 53.544 17.165 1.00 0.00 WT3 H ATOM 45568 OH2 TIP3 7632 74.630 32.183 63.175 1.00 0.00 WT3 O ATOM 45569 H1 TIP3 7632 73.838 32.703 63.316 1.00 0.00 WT3 H ATOM 45570 H2 TIP3 7632 75.339 32.727 63.518 1.00 0.00 WT3 H ATOM 45571 OH2 TIP3 7633 74.590 61.655 10.881 1.00 0.00 WT3 O ATOM 45572 H1 TIP3 7633 74.828 62.468 11.326 1.00 0.00 WT3 H ATOM 45573 H2 TIP3 7633 73.754 61.849 10.457 1.00 0.00 WT3 H ATOM 45574 OH2 TIP3 7634 88.980 57.049 13.451 1.00 0.00 WT3 O ATOM 45575 H1 TIP3 7634 88.611 57.550 14.178 1.00 0.00 WT3 H ATOM 45576 H2 TIP3 7634 88.821 56.134 13.686 1.00 0.00 WT3 H ATOM 45577 OH2 TIP3 7635 52.748 73.101 5.515 1.00 0.00 WT3 O ATOM 45578 H1 TIP3 7635 52.641 73.429 6.408 1.00 0.00 WT3 H ATOM 45579 H2 TIP3 7635 52.815 72.151 5.615 1.00 0.00 WT3 H ATOM 45580 OH2 TIP3 7636 81.526 69.403 36.258 1.00 0.00 WT3 O ATOM 45581 H1 TIP3 7636 82.321 69.934 36.292 1.00 0.00 WT3 H ATOM 45582 H2 TIP3 7636 81.164 69.567 35.387 1.00 0.00 WT3 H ATOM 45583 OH2 TIP3 7637 88.172 25.873 35.468 1.00 0.00 WT3 O ATOM 45584 H1 TIP3 7637 87.886 26.501 34.806 1.00 0.00 WT3 H ATOM 45585 H2 TIP3 7637 88.073 25.019 35.048 1.00 0.00 WT3 H ATOM 45586 OH2 TIP3 7638 69.675 3.201 63.046 1.00 0.00 WT3 O ATOM 45587 H1 TIP3 7638 69.570 3.757 62.274 1.00 0.00 WT3 H ATOM 45588 H2 TIP3 7638 69.475 2.318 62.736 1.00 0.00 WT3 H ATOM 45589 OH2 TIP3 7639 42.170 96.636 12.384 1.00 0.00 WT3 O ATOM 45590 H1 TIP3 7639 41.910 96.776 13.294 1.00 0.00 WT3 H ATOM 45591 H2 TIP3 7639 42.065 95.694 12.247 1.00 0.00 WT3 H ATOM 45592 OH2 TIP3 7640 67.000 75.665 62.862 1.00 0.00 WT3 O ATOM 45593 H1 TIP3 7640 67.849 75.917 63.225 1.00 0.00 WT3 H ATOM 45594 H2 TIP3 7640 66.701 76.443 62.391 1.00 0.00 WT3 H ATOM 45595 OH2 TIP3 7641 34.956 68.420 5.458 1.00 0.00 WT3 O ATOM 45596 H1 TIP3 7641 35.771 68.571 5.936 1.00 0.00 WT3 H ATOM 45597 H2 TIP3 7641 34.294 68.308 6.140 1.00 0.00 WT3 H ATOM 45598 OH2 TIP3 7642 80.789 44.423 -12.185 1.00 0.00 WT3 O ATOM 45599 H1 TIP3 7642 80.699 43.691 -11.574 1.00 0.00 WT3 H ATOM 45600 H2 TIP3 7642 81.424 45.006 -11.769 1.00 0.00 WT3 H ATOM 45601 OH2 TIP3 7643 52.095 74.155 0.636 1.00 0.00 WT3 O ATOM 45602 H1 TIP3 7643 52.874 73.769 0.236 1.00 0.00 WT3 H ATOM 45603 H2 TIP3 7643 52.211 74.011 1.575 1.00 0.00 WT3 H ATOM 45604 OH2 TIP3 7644 36.371 53.812 9.762 1.00 0.00 WT3 O ATOM 45605 H1 TIP3 7644 36.851 53.440 9.022 1.00 0.00 WT3 H ATOM 45606 H2 TIP3 7644 36.957 54.483 10.114 1.00 0.00 WT3 H ATOM 45607 OH2 TIP3 7645 73.130 85.699 63.872 1.00 0.00 WT3 O ATOM 45608 H1 TIP3 7645 74.070 85.750 63.699 1.00 0.00 WT3 H ATOM 45609 H2 TIP3 7645 73.068 85.328 64.752 1.00 0.00 WT3 H ATOM 45610 OH2 TIP3 7646 55.882 84.480 25.507 1.00 0.00 WT3 O ATOM 45611 H1 TIP3 7646 56.807 84.425 25.747 1.00 0.00 WT3 H ATOM 45612 H2 TIP3 7646 55.759 85.388 25.232 1.00 0.00 WT3 H ATOM 45613 OH2 TIP3 7647 81.278 19.760 5.581 1.00 0.00 WT3 O ATOM 45614 H1 TIP3 7647 81.573 19.267 6.347 1.00 0.00 WT3 H ATOM 45615 H2 TIP3 7647 81.660 20.630 5.694 1.00 0.00 WT3 H ATOM 45616 OH2 TIP3 7649 80.602 47.004 6.730 1.00 0.00 WT3 O ATOM 45617 H1 TIP3 7649 80.375 47.017 7.660 1.00 0.00 WT3 H ATOM 45618 H2 TIP3 7649 81.066 47.829 6.585 1.00 0.00 WT3 H ATOM 45619 OH2 TIP3 7650 65.117 87.053 -19.078 1.00 0.00 WT3 O ATOM 45620 H1 TIP3 7650 65.622 86.248 -19.193 1.00 0.00 WT3 H ATOM 45621 H2 TIP3 7650 65.741 87.756 -19.262 1.00 0.00 WT3 H ATOM 45622 OH2 TIP3 7651 55.475 79.568 45.659 1.00 0.00 WT3 O ATOM 45623 H1 TIP3 7651 55.854 80.157 45.006 1.00 0.00 WT3 H ATOM 45624 H2 TIP3 7651 54.648 79.282 45.272 1.00 0.00 WT3 H ATOM 45625 OH2 TIP3 7652 22.437 53.578 65.661 1.00 0.00 WT3 O ATOM 45626 H1 TIP3 7652 21.553 53.230 65.543 1.00 0.00 WT3 H ATOM 45627 H2 TIP3 7652 22.893 52.908 66.169 1.00 0.00 WT3 H ATOM 45628 OH2 TIP3 7653 47.051 81.284 5.484 1.00 0.00 WT3 O ATOM 45629 H1 TIP3 7653 46.707 80.697 6.157 1.00 0.00 WT3 H ATOM 45630 H2 TIP3 7653 47.656 80.742 4.979 1.00 0.00 WT3 H ATOM 45631 OH2 TIP3 7654 56.015 23.647 -4.383 1.00 0.00 WT3 O ATOM 45632 H1 TIP3 7654 56.585 23.022 -3.936 1.00 0.00 WT3 H ATOM 45633 H2 TIP3 7654 55.140 23.264 -4.316 1.00 0.00 WT3 H ATOM 45634 OH2 TIP3 7656 22.451 62.929 4.024 1.00 0.00 WT3 O ATOM 45635 H1 TIP3 7656 23.138 63.488 3.661 1.00 0.00 WT3 H ATOM 45636 H2 TIP3 7656 22.876 62.081 4.153 1.00 0.00 WT3 H ATOM 45637 OH2 TIP3 7657 51.324 94.416 31.053 1.00 0.00 WT3 O ATOM 45638 H1 TIP3 7657 51.071 94.743 30.189 1.00 0.00 WT3 H ATOM 45639 H2 TIP3 7657 52.139 93.938 30.900 1.00 0.00 WT3 H ATOM 45640 OH2 TIP3 7658 59.842 76.038 -8.038 1.00 0.00 WT3 O ATOM 45641 H1 TIP3 7658 60.280 75.458 -8.660 1.00 0.00 WT3 H ATOM 45642 H2 TIP3 7658 60.553 76.423 -7.526 1.00 0.00 WT3 H ATOM 45643 OH2 TIP3 7659 47.071 2.037 39.911 1.00 0.00 WT3 O ATOM 45644 H1 TIP3 7659 46.800 1.199 39.537 1.00 0.00 WT3 H ATOM 45645 H2 TIP3 7659 46.355 2.281 40.498 1.00 0.00 WT3 H ATOM 45646 OH2 TIP3 7661 26.288 61.349 -2.163 1.00 0.00 WT3 O ATOM 45647 H1 TIP3 7661 26.052 61.180 -1.251 1.00 0.00 WT3 H ATOM 45648 H2 TIP3 7661 27.028 61.955 -2.112 1.00 0.00 WT3 H ATOM 45649 OH2 TIP3 7663 60.941 67.833 58.486 1.00 0.00 WT3 O ATOM 45650 H1 TIP3 7663 61.316 67.408 57.715 1.00 0.00 WT3 H ATOM 45651 H2 TIP3 7663 60.000 67.674 58.415 1.00 0.00 WT3 H ATOM 45652 OH2 TIP3 7664 52.768 87.083 1.304 1.00 0.00 WT3 O ATOM 45653 H1 TIP3 7664 52.959 87.019 2.240 1.00 0.00 WT3 H ATOM 45654 H2 TIP3 7664 53.593 87.366 0.909 1.00 0.00 WT3 H ATOM 45655 OH2 TIP3 7665 64.376 64.465 -12.083 1.00 0.00 WT3 O ATOM 45656 H1 TIP3 7665 63.820 63.694 -11.973 1.00 0.00 WT3 H ATOM 45657 H2 TIP3 7665 64.100 64.843 -12.918 1.00 0.00 WT3 H ATOM 45658 OH2 TIP3 7666 89.827 0.838 35.047 1.00 0.00 WT3 O ATOM 45659 H1 TIP3 7666 89.057 1.393 34.922 1.00 0.00 WT3 H ATOM 45660 H2 TIP3 7666 89.909 0.353 34.226 1.00 0.00 WT3 H ATOM 45661 OH2 TIP3 7668 65.182 10.728 3.788 1.00 0.00 WT3 O ATOM 45662 H1 TIP3 7668 64.361 11.207 3.900 1.00 0.00 WT3 H ATOM 45663 H2 TIP3 7668 65.336 10.315 4.638 1.00 0.00 WT3 H ATOM 45664 OH2 TIP3 7669 43.789 35.581 58.593 1.00 0.00 WT3 O ATOM 45665 H1 TIP3 7669 43.945 36.408 58.138 1.00 0.00 WT3 H ATOM 45666 H2 TIP3 7669 43.841 34.916 57.907 1.00 0.00 WT3 H ATOM 45667 OH2 TIP3 7670 67.913 31.693 -13.826 1.00 0.00 WT3 O ATOM 45668 H1 TIP3 7670 67.609 32.583 -13.650 1.00 0.00 WT3 H ATOM 45669 H2 TIP3 7670 68.692 31.593 -13.278 1.00 0.00 WT3 H ATOM 45670 OH2 TIP3 7671 65.050 41.843 10.861 1.00 0.00 WT3 O ATOM 45671 H1 TIP3 7671 65.655 41.384 11.444 1.00 0.00 WT3 H ATOM 45672 H2 TIP3 7671 64.434 42.279 11.450 1.00 0.00 WT3 H ATOM 45673 OH2 TIP3 7674 31.395 65.926 -14.619 1.00 0.00 WT3 O ATOM 45674 H1 TIP3 7674 31.435 65.226 -15.270 1.00 0.00 WT3 H ATOM 45675 H2 TIP3 7674 31.793 65.547 -13.835 1.00 0.00 WT3 H ATOM 45676 OH2 TIP3 7675 71.019 80.180 22.267 1.00 0.00 WT3 O ATOM 45677 H1 TIP3 7675 70.203 80.452 21.847 1.00 0.00 WT3 H ATOM 45678 H2 TIP3 7675 70.978 79.224 22.277 1.00 0.00 WT3 H ATOM 45679 OH2 TIP3 7676 80.536 41.100 44.255 1.00 0.00 WT3 O ATOM 45680 H1 TIP3 7676 80.636 41.460 45.136 1.00 0.00 WT3 H ATOM 45681 H2 TIP3 7676 79.766 41.544 43.900 1.00 0.00 WT3 H ATOM 45682 OH2 TIP3 7677 24.762 70.413 60.280 1.00 0.00 WT3 O ATOM 45683 H1 TIP3 7677 25.556 70.893 60.042 1.00 0.00 WT3 H ATOM 45684 H2 TIP3 7677 24.812 69.601 59.775 1.00 0.00 WT3 H ATOM 45685 OH2 TIP3 7678 38.728 92.660 36.233 1.00 0.00 WT3 O ATOM 45686 H1 TIP3 7678 38.370 92.047 36.875 1.00 0.00 WT3 H ATOM 45687 H2 TIP3 7678 39.592 92.307 36.020 1.00 0.00 WT3 H ATOM 45688 OH2 TIP3 7679 72.078 2.742 9.660 1.00 0.00 WT3 O ATOM 45689 H1 TIP3 7679 71.398 2.362 10.216 1.00 0.00 WT3 H ATOM 45690 H2 TIP3 7679 72.895 2.575 10.131 1.00 0.00 WT3 H ATOM 45691 OH2 TIP3 7680 31.101 61.297 1.504 1.00 0.00 WT3 O ATOM 45692 H1 TIP3 7680 31.039 60.575 2.130 1.00 0.00 WT3 H ATOM 45693 H2 TIP3 7680 31.802 61.852 1.846 1.00 0.00 WT3 H ATOM 45694 OH2 TIP3 7681 69.898 55.331 -17.661 1.00 0.00 WT3 O ATOM 45695 H1 TIP3 7681 70.496 55.507 -16.934 1.00 0.00 WT3 H ATOM 45696 H2 TIP3 7681 69.102 55.813 -17.438 1.00 0.00 WT3 H ATOM 45697 OH2 TIP3 7682 62.366 79.352 -4.717 1.00 0.00 WT3 O ATOM 45698 H1 TIP3 7682 62.578 80.268 -4.896 1.00 0.00 WT3 H ATOM 45699 H2 TIP3 7682 63.156 78.998 -4.309 1.00 0.00 WT3 H ATOM 45700 OH2 TIP3 7683 78.247 28.458 27.608 1.00 0.00 WT3 O ATOM 45701 H1 TIP3 7683 77.536 28.523 26.970 1.00 0.00 WT3 H ATOM 45702 H2 TIP3 7683 79.046 28.515 27.084 1.00 0.00 WT3 H ATOM 45703 OH2 TIP3 7684 90.012 55.834 -2.705 1.00 0.00 WT3 O ATOM 45704 H1 TIP3 7684 89.839 55.000 -3.143 1.00 0.00 WT3 H ATOM 45705 H2 TIP3 7684 90.721 56.228 -3.213 1.00 0.00 WT3 H ATOM 45706 OH2 TIP3 7685 60.721 93.207 33.067 1.00 0.00 WT3 O ATOM 45707 H1 TIP3 7685 60.717 93.891 33.736 1.00 0.00 WT3 H ATOM 45708 H2 TIP3 7685 61.279 92.519 33.430 1.00 0.00 WT3 H ATOM 45709 OH2 TIP3 7686 84.105 0.788 -10.454 1.00 0.00 WT3 O ATOM 45710 H1 TIP3 7686 83.455 0.351 -11.004 1.00 0.00 WT3 H ATOM 45711 H2 TIP3 7686 84.751 0.109 -10.261 1.00 0.00 WT3 H ATOM 45712 OH2 TIP3 7690 87.587 92.255 66.414 1.00 0.00 WT3 O ATOM 45713 H1 TIP3 7690 88.016 92.835 67.043 1.00 0.00 WT3 H ATOM 45714 H2 TIP3 7690 86.914 92.799 66.006 1.00 0.00 WT3 H ATOM 45715 OH2 TIP3 7691 86.025 86.966 -13.048 1.00 0.00 WT3 O ATOM 45716 H1 TIP3 7691 86.054 86.861 -12.097 1.00 0.00 WT3 H ATOM 45717 H2 TIP3 7691 85.565 86.188 -13.361 1.00 0.00 WT3 H ATOM 45718 OH2 TIP3 7694 78.012 85.157 32.996 1.00 0.00 WT3 O ATOM 45719 H1 TIP3 7694 78.409 84.374 33.379 1.00 0.00 WT3 H ATOM 45720 H2 TIP3 7694 78.456 85.264 32.155 1.00 0.00 WT3 H ATOM 45721 OH2 TIP3 7695 69.104 32.323 45.397 1.00 0.00 WT3 O ATOM 45722 H1 TIP3 7695 69.947 32.769 45.305 1.00 0.00 WT3 H ATOM 45723 H2 TIP3 7695 69.054 31.746 44.635 1.00 0.00 WT3 H ATOM 45724 OH2 TIP3 7696 23.608 83.758 -3.499 1.00 0.00 WT3 O ATOM 45725 H1 TIP3 7696 23.898 83.817 -2.589 1.00 0.00 WT3 H ATOM 45726 H2 TIP3 7696 22.994 83.024 -3.508 1.00 0.00 WT3 H ATOM 45727 OH2 TIP3 7697 22.164 93.982 28.856 1.00 0.00 WT3 O ATOM 45728 H1 TIP3 7697 22.062 93.729 29.773 1.00 0.00 WT3 H ATOM 45729 H2 TIP3 7697 23.102 94.148 28.756 1.00 0.00 WT3 H ATOM 45730 OH2 TIP3 7698 58.213 42.642 0.895 1.00 0.00 WT3 O ATOM 45731 H1 TIP3 7698 58.388 42.975 1.775 1.00 0.00 WT3 H ATOM 45732 H2 TIP3 7698 57.483 42.033 1.009 1.00 0.00 WT3 H ATOM 45733 OH2 TIP3 7700 38.854 78.439 -10.667 1.00 0.00 WT3 O ATOM 45734 H1 TIP3 7700 39.385 78.071 -9.962 1.00 0.00 WT3 H ATOM 45735 H2 TIP3 7700 38.038 78.703 -10.241 1.00 0.00 WT3 H ATOM 45736 OH2 TIP3 7701 35.490 55.889 -2.457 1.00 0.00 WT3 O ATOM 45737 H1 TIP3 7701 35.625 56.671 -2.992 1.00 0.00 WT3 H ATOM 45738 H2 TIP3 7701 36.151 55.952 -1.768 1.00 0.00 WT3 H ATOM 45739 OH2 TIP3 7702 49.967 89.207 16.258 1.00 0.00 WT3 O ATOM 45740 H1 TIP3 7702 50.344 90.035 16.556 1.00 0.00 WT3 H ATOM 45741 H2 TIP3 7702 50.719 88.625 16.153 1.00 0.00 WT3 H ATOM 45742 OH2 TIP3 7704 86.413 79.459 5.294 1.00 0.00 WT3 O ATOM 45743 H1 TIP3 7704 85.671 79.761 4.770 1.00 0.00 WT3 H ATOM 45744 H2 TIP3 7704 86.092 78.671 5.732 1.00 0.00 WT3 H ATOM 45745 OH2 TIP3 7705 42.606 65.674 50.818 1.00 0.00 WT3 O ATOM 45746 H1 TIP3 7705 42.134 65.989 51.589 1.00 0.00 WT3 H ATOM 45747 H2 TIP3 7705 42.719 66.452 50.272 1.00 0.00 WT3 H ATOM 45748 OH2 TIP3 7706 51.923 77.374 13.714 1.00 0.00 WT3 O ATOM 45749 H1 TIP3 7706 51.164 76.835 13.938 1.00 0.00 WT3 H ATOM 45750 H2 TIP3 7706 52.130 77.133 12.811 1.00 0.00 WT3 H ATOM 45751 OH2 TIP3 7707 31.587 96.433 -18.787 1.00 0.00 WT3 O ATOM 45752 H1 TIP3 7707 31.602 95.634 -18.260 1.00 0.00 WT3 H ATOM 45753 H2 TIP3 7707 30.724 96.430 -19.201 1.00 0.00 WT3 H ATOM 45754 OH2 TIP3 7708 67.739 8.827 62.094 1.00 0.00 WT3 O ATOM 45755 H1 TIP3 7708 68.672 8.621 62.156 1.00 0.00 WT3 H ATOM 45756 H2 TIP3 7708 67.309 8.151 62.617 1.00 0.00 WT3 H ATOM 45757 OH2 TIP3 7709 82.231 19.606 43.853 1.00 0.00 WT3 O ATOM 45758 H1 TIP3 7709 83.096 19.848 43.521 1.00 0.00 WT3 H ATOM 45759 H2 TIP3 7709 81.699 20.392 43.733 1.00 0.00 WT3 H ATOM 45760 OH2 TIP3 7710 81.637 93.304 14.081 1.00 0.00 WT3 O ATOM 45761 H1 TIP3 7710 80.967 92.883 14.619 1.00 0.00 WT3 H ATOM 45762 H2 TIP3 7710 82.139 93.837 14.697 1.00 0.00 WT3 H ATOM 45763 OH2 TIP3 7712 67.827 12.507 -5.964 1.00 0.00 WT3 O ATOM 45764 H1 TIP3 7712 68.526 12.036 -5.511 1.00 0.00 WT3 H ATOM 45765 H2 TIP3 7712 68.163 13.398 -6.064 1.00 0.00 WT3 H ATOM 45766 OH2 TIP3 7713 56.057 21.353 52.803 1.00 0.00 WT3 O ATOM 45767 H1 TIP3 7713 55.742 21.366 53.707 1.00 0.00 WT3 H ATOM 45768 H2 TIP3 7713 56.834 21.913 52.811 1.00 0.00 WT3 H ATOM 45769 OH2 TIP3 7714 29.575 94.018 61.283 1.00 0.00 WT3 O ATOM 45770 H1 TIP3 7714 28.677 94.201 61.557 1.00 0.00 WT3 H ATOM 45771 H2 TIP3 7714 29.482 93.455 60.515 1.00 0.00 WT3 H ATOM 45772 OH2 TIP3 7716 53.665 14.577 2.058 1.00 0.00 WT3 O ATOM 45773 H1 TIP3 7716 53.716 13.725 1.624 1.00 0.00 WT3 H ATOM 45774 H2 TIP3 7716 53.928 15.205 1.385 1.00 0.00 WT3 H ATOM 45775 OH2 TIP3 7717 23.049 18.679 -11.503 1.00 0.00 WT3 O ATOM 45776 H1 TIP3 7717 22.602 19.089 -12.244 1.00 0.00 WT3 H ATOM 45777 H2 TIP3 7717 23.266 19.407 -10.921 1.00 0.00 WT3 H ATOM 45778 OH2 TIP3 7721 40.110 2.408 24.059 1.00 0.00 WT3 O ATOM 45779 H1 TIP3 7721 39.666 2.841 23.329 1.00 0.00 WT3 H ATOM 45780 H2 TIP3 7721 39.720 2.799 24.842 1.00 0.00 WT3 H ATOM 45781 OH2 TIP3 7722 74.838 15.769 4.600 1.00 0.00 WT3 O ATOM 45782 H1 TIP3 7722 75.223 15.849 3.727 1.00 0.00 WT3 H ATOM 45783 H2 TIP3 7722 74.211 16.490 4.653 1.00 0.00 WT3 H ATOM 45784 OH2 TIP3 7723 48.203 77.867 56.494 1.00 0.00 WT3 O ATOM 45785 H1 TIP3 7723 48.967 77.502 56.047 1.00 0.00 WT3 H ATOM 45786 H2 TIP3 7723 48.546 78.198 57.324 1.00 0.00 WT3 H ATOM 45787 OH2 TIP3 7724 28.798 83.781 57.834 1.00 0.00 WT3 O ATOM 45788 H1 TIP3 7724 29.533 83.737 57.223 1.00 0.00 WT3 H ATOM 45789 H2 TIP3 7724 28.480 84.681 57.763 1.00 0.00 WT3 H ATOM 45790 OH2 TIP3 7733 35.351 21.663 29.110 1.00 0.00 WT3 O ATOM 45791 H1 TIP3 7733 35.065 22.242 29.817 1.00 0.00 WT3 H ATOM 45792 H2 TIP3 7733 36.169 21.281 29.430 1.00 0.00 WT3 H ATOM 45793 OH2 TIP3 7734 35.318 67.790 26.144 1.00 0.00 WT3 O ATOM 45794 H1 TIP3 7734 35.527 66.905 26.443 1.00 0.00 WT3 H ATOM 45795 H2 TIP3 7734 36.147 68.133 25.812 1.00 0.00 WT3 H ATOM 45796 OH2 TIP3 7735 75.026 76.988 12.836 1.00 0.00 WT3 O ATOM 45797 H1 TIP3 7735 75.135 76.265 12.219 1.00 0.00 WT3 H ATOM 45798 H2 TIP3 7735 75.673 76.819 13.521 1.00 0.00 WT3 H ATOM 45799 OH2 TIP3 7739 74.148 4.131 52.143 1.00 0.00 WT3 O ATOM 45800 H1 TIP3 7739 73.857 3.335 51.698 1.00 0.00 WT3 H ATOM 45801 H2 TIP3 7739 73.516 4.799 51.877 1.00 0.00 WT3 H ATOM 45802 OH2 TIP3 7743 33.075 79.275 27.402 1.00 0.00 WT3 O ATOM 45803 H1 TIP3 7743 33.939 79.123 27.785 1.00 0.00 WT3 H ATOM 45804 H2 TIP3 7743 32.583 78.477 27.594 1.00 0.00 WT3 H ATOM 45805 OH2 TIP3 7744 52.625 52.784 20.715 1.00 0.00 WT3 O ATOM 45806 H1 TIP3 7744 52.112 52.000 20.519 1.00 0.00 WT3 H ATOM 45807 H2 TIP3 7744 52.501 53.350 19.953 1.00 0.00 WT3 H ATOM 45808 OH2 TIP3 7757 36.657 71.118 29.705 1.00 0.00 WT3 O ATOM 45809 H1 TIP3 7757 37.584 71.011 29.918 1.00 0.00 WT3 H ATOM 45810 H2 TIP3 7757 36.319 70.224 29.651 1.00 0.00 WT3 H ATOM 45811 OH2 TIP3 7791 53.893 72.144 60.921 1.00 0.00 WT3 O ATOM 45812 H1 TIP3 7791 54.125 72.483 61.786 1.00 0.00 WT3 H ATOM 45813 H2 TIP3 7791 53.686 71.222 61.073 1.00 0.00 WT3 H ATOM 45814 OH2 TIP3 7855 86.801 6.337 50.162 1.00 0.00 WT3 O ATOM 45815 H1 TIP3 7855 87.451 6.701 49.561 1.00 0.00 WT3 H ATOM 45816 H2 TIP3 7855 87.317 5.969 50.879 1.00 0.00 WT3 H ATOM 45817 OH2 TIP3 7867 55.760 88.363 50.184 1.00 0.00 WT3 O ATOM 45818 H1 TIP3 7867 56.446 88.572 49.551 1.00 0.00 WT3 H ATOM 45819 H2 TIP3 7867 56.226 87.964 50.920 1.00 0.00 WT3 H ATOM 45820 OH2 TIP3 7869 58.047 65.130 27.436 1.00 0.00 WT3 O ATOM 45821 H1 TIP3 7869 57.431 64.934 28.142 1.00 0.00 WT3 H ATOM 45822 H2 TIP3 7869 57.838 64.493 26.752 1.00 0.00 WT3 H ATOM 45823 OH2 TIP3 7872 55.435 32.880 -0.672 1.00 0.00 WT3 O ATOM 45824 H1 TIP3 7872 54.525 33.094 -0.466 1.00 0.00 WT3 H ATOM 45825 H2 TIP3 7872 55.772 32.470 0.124 1.00 0.00 WT3 H ATOM 45826 OH2 TIP3 7876 74.138 7.946 11.933 1.00 0.00 WT3 O ATOM 45827 H1 TIP3 7876 74.491 8.249 11.096 1.00 0.00 WT3 H ATOM 45828 H2 TIP3 7876 74.911 7.728 12.454 1.00 0.00 WT3 H ATOM 45829 OH2 TIP3 7883 59.377 43.510 -12.387 1.00 0.00 WT3 O ATOM 45830 H1 TIP3 7883 59.584 44.176 -11.731 1.00 0.00 WT3 H ATOM 45831 H2 TIP3 7883 58.571 43.103 -12.069 1.00 0.00 WT3 H ATOM 45832 OH2 TIP3 7886 66.377 67.500 29.790 1.00 0.00 WT3 O ATOM 45833 H1 TIP3 7886 67.167 67.810 29.347 1.00 0.00 WT3 H ATOM 45834 H2 TIP3 7886 65.705 67.498 29.108 1.00 0.00 WT3 H ATOM 45835 OH2 TIP3 7891 83.945 90.983 38.929 1.00 0.00 WT3 O ATOM 45836 H1 TIP3 7891 84.379 91.339 39.704 1.00 0.00 WT3 H ATOM 45837 H2 TIP3 7891 83.793 91.744 38.368 1.00 0.00 WT3 H ATOM 45838 OH2 TIP3 7894 48.793 26.326 39.320 1.00 0.00 WT3 O ATOM 45839 H1 TIP3 7894 48.342 26.920 38.720 1.00 0.00 WT3 H ATOM 45840 H2 TIP3 7894 48.822 25.490 38.853 1.00 0.00 WT3 H ATOM 45841 OH2 TIP3 7895 77.705 90.571 -3.844 1.00 0.00 WT3 O ATOM 45842 H1 TIP3 7895 78.201 90.408 -3.043 1.00 0.00 WT3 H ATOM 45843 H2 TIP3 7895 77.254 91.400 -3.683 1.00 0.00 WT3 H ATOM 45844 OH2 TIP3 7896 37.732 54.481 0.678 1.00 0.00 WT3 O ATOM 45845 H1 TIP3 7896 38.460 53.917 0.417 1.00 0.00 WT3 H ATOM 45846 H2 TIP3 7896 37.811 55.252 0.115 1.00 0.00 WT3 H ATOM 45847 OH2 TIP3 7897 38.385 91.173 48.896 1.00 0.00 WT3 O ATOM 45848 H1 TIP3 7897 37.805 91.916 49.066 1.00 0.00 WT3 H ATOM 45849 H2 TIP3 7897 39.263 91.555 48.874 1.00 0.00 WT3 H ATOM 45850 OH2 TIP3 7901 76.569 74.962 -1.417 1.00 0.00 WT3 O ATOM 45851 H1 TIP3 7901 76.074 75.781 -1.422 1.00 0.00 WT3 H ATOM 45852 H2 TIP3 7901 75.937 74.297 -1.690 1.00 0.00 WT3 H ATOM 45853 OH2 TIP3 7908 84.292 30.835 8.238 1.00 0.00 WT3 O ATOM 45854 H1 TIP3 7908 85.243 30.781 8.334 1.00 0.00 WT3 H ATOM 45855 H2 TIP3 7908 84.155 31.526 7.589 1.00 0.00 WT3 H ATOM 45856 OH2 TIP3 7915 81.775 47.671 41.652 1.00 0.00 WT3 O ATOM 45857 H1 TIP3 7915 82.482 47.327 42.198 1.00 0.00 WT3 H ATOM 45858 H2 TIP3 7915 80.975 47.455 42.130 1.00 0.00 WT3 H ATOM 45859 OH2 TIP3 7922 43.602 93.517 54.019 1.00 0.00 WT3 O ATOM 45860 H1 TIP3 7922 43.531 94.301 53.475 1.00 0.00 WT3 H ATOM 45861 H2 TIP3 7922 42.966 92.907 53.646 1.00 0.00 WT3 H ATOM 45862 OH2 TIP3 7923 62.293 69.172 -1.127 1.00 0.00 WT3 O ATOM 45863 H1 TIP3 7923 61.841 68.329 -1.145 1.00 0.00 WT3 H ATOM 45864 H2 TIP3 7923 61.676 69.766 -0.701 1.00 0.00 WT3 H ATOM 45865 OH2 TIP3 7924 77.088 38.721 42.681 1.00 0.00 WT3 O ATOM 45866 H1 TIP3 7924 77.974 38.474 42.946 1.00 0.00 WT3 H ATOM 45867 H2 TIP3 7924 77.127 38.767 41.726 1.00 0.00 WT3 H ATOM 45868 OH2 TIP3 7926 64.806 2.575 14.747 1.00 0.00 WT3 O ATOM 45869 H1 TIP3 7926 65.195 2.792 15.594 1.00 0.00 WT3 H ATOM 45870 H2 TIP3 7926 64.069 2.003 14.961 1.00 0.00 WT3 H ATOM 45871 OH2 TIP3 7927 49.472 78.064 1.999 1.00 0.00 WT3 O ATOM 45872 H1 TIP3 7927 50.389 77.788 1.993 1.00 0.00 WT3 H ATOM 45873 H2 TIP3 7927 48.976 77.250 1.915 1.00 0.00 WT3 H ATOM 45874 OH2 TIP3 7929 30.939 85.181 2.729 1.00 0.00 WT3 O ATOM 45875 H1 TIP3 7929 31.685 85.759 2.564 1.00 0.00 WT3 H ATOM 45876 H2 TIP3 7929 31.274 84.302 2.555 1.00 0.00 WT3 H ATOM 45877 OH2 TIP3 7930 89.371 80.212 18.385 1.00 0.00 WT3 O ATOM 45878 H1 TIP3 7930 89.633 80.931 18.960 1.00 0.00 WT3 H ATOM 45879 H2 TIP3 7930 90.136 79.638 18.354 1.00 0.00 WT3 H ATOM 45880 OH2 TIP3 7931 66.862 31.340 66.684 1.00 0.00 WT3 O ATOM 45881 H1 TIP3 7931 66.649 31.227 65.757 1.00 0.00 WT3 H ATOM 45882 H2 TIP3 7931 66.092 31.011 67.148 1.00 0.00 WT3 H ATOM 45883 OH2 TIP3 7932 35.680 14.072 14.195 1.00 0.00 WT3 O ATOM 45884 H1 TIP3 7932 35.685 13.955 15.145 1.00 0.00 WT3 H ATOM 45885 H2 TIP3 7932 36.159 14.888 14.051 1.00 0.00 WT3 H ATOM 45886 OH2 TIP3 7933 77.410 25.234 28.257 1.00 0.00 WT3 O ATOM 45887 H1 TIP3 7933 77.875 24.435 28.011 1.00 0.00 WT3 H ATOM 45888 H2 TIP3 7933 78.095 25.898 28.332 1.00 0.00 WT3 H ATOM 45889 OH2 TIP3 7937 72.754 86.463 42.854 1.00 0.00 WT3 O ATOM 45890 H1 TIP3 7937 72.045 85.913 42.521 1.00 0.00 WT3 H ATOM 45891 H2 TIP3 7937 72.346 86.992 43.539 1.00 0.00 WT3 H ATOM 45892 OH2 TIP3 7938 43.111 14.313 47.956 1.00 0.00 WT3 O ATOM 45893 H1 TIP3 7938 43.954 14.765 47.913 1.00 0.00 WT3 H ATOM 45894 H2 TIP3 7938 42.540 14.813 47.373 1.00 0.00 WT3 H ATOM 45895 OH2 TIP3 7939 82.921 3.305 41.985 1.00 0.00 WT3 O ATOM 45896 H1 TIP3 7939 82.593 2.729 41.294 1.00 0.00 WT3 H ATOM 45897 H2 TIP3 7939 83.871 3.295 41.874 1.00 0.00 WT3 H ATOM 45898 OH2 TIP3 7941 38.277 74.764 67.002 1.00 0.00 WT3 O ATOM 45899 H1 TIP3 7941 39.024 74.939 66.429 1.00 0.00 WT3 H ATOM 45900 H2 TIP3 7941 37.882 73.968 66.645 1.00 0.00 WT3 H ATOM 45901 OH2 TIP3 7942 48.764 66.868 5.160 1.00 0.00 WT3 O ATOM 45902 H1 TIP3 7942 48.757 66.695 6.101 1.00 0.00 WT3 H ATOM 45903 H2 TIP3 7942 49.403 66.249 4.807 1.00 0.00 WT3 H ATOM 45904 OH2 TIP3 7943 50.575 78.730 6.906 1.00 0.00 WT3 O ATOM 45905 H1 TIP3 7943 50.932 79.082 6.091 1.00 0.00 WT3 H ATOM 45906 H2 TIP3 7943 51.170 78.016 7.140 1.00 0.00 WT3 H ATOM 45907 OH2 TIP3 7945 78.808 63.199 12.462 1.00 0.00 WT3 O ATOM 45908 H1 TIP3 7945 78.280 63.356 11.679 1.00 0.00 WT3 H ATOM 45909 H2 TIP3 7945 79.029 64.074 12.782 1.00 0.00 WT3 H ATOM 45910 OH2 TIP3 7947 64.122 92.971 27.054 1.00 0.00 WT3 O ATOM 45911 H1 TIP3 7947 64.767 93.660 27.214 1.00 0.00 WT3 H ATOM 45912 H2 TIP3 7947 63.594 92.947 27.852 1.00 0.00 WT3 H ATOM 45913 OH2 TIP3 7948 82.719 40.863 -16.329 1.00 0.00 WT3 O ATOM 45914 H1 TIP3 7948 81.956 40.931 -16.904 1.00 0.00 WT3 H ATOM 45915 H2 TIP3 7948 82.416 40.335 -15.590 1.00 0.00 WT3 H ATOM 45916 OH2 TIP3 7949 55.305 24.753 19.083 1.00 0.00 WT3 O ATOM 45917 H1 TIP3 7949 54.508 25.171 18.758 1.00 0.00 WT3 H ATOM 45918 H2 TIP3 7949 55.495 25.206 19.905 1.00 0.00 WT3 H ATOM 45919 OH2 TIP3 7950 74.967 67.482 33.156 1.00 0.00 WT3 O ATOM 45920 H1 TIP3 7950 74.216 67.506 32.563 1.00 0.00 WT3 H ATOM 45921 H2 TIP3 7950 75.280 66.578 33.109 1.00 0.00 WT3 H ATOM 45922 OH2 TIP3 7951 79.956 52.461 11.380 1.00 0.00 WT3 O ATOM 45923 H1 TIP3 7951 79.201 51.945 11.096 1.00 0.00 WT3 H ATOM 45924 H2 TIP3 7951 80.153 52.134 12.258 1.00 0.00 WT3 H ATOM 45925 OH2 TIP3 7952 48.686 57.320 9.327 1.00 0.00 WT3 O ATOM 45926 H1 TIP3 7952 48.470 58.221 9.571 1.00 0.00 WT3 H ATOM 45927 H2 TIP3 7952 49.581 57.194 9.642 1.00 0.00 WT3 H ATOM 45928 OH2 TIP3 7953 21.962 45.833 -19.926 1.00 0.00 WT3 O ATOM 45929 H1 TIP3 7953 21.255 46.346 -19.535 1.00 0.00 WT3 H ATOM 45930 H2 TIP3 7953 22.761 46.300 -19.682 1.00 0.00 WT3 H ATOM 45931 OH2 TIP3 7955 68.987 6.953 8.583 1.00 0.00 WT3 O ATOM 45932 H1 TIP3 7955 68.577 7.348 9.352 1.00 0.00 WT3 H ATOM 45933 H2 TIP3 7955 68.253 6.663 8.041 1.00 0.00 WT3 H ATOM 45934 OH2 TIP3 7957 47.461 93.212 34.684 1.00 0.00 WT3 O ATOM 45935 H1 TIP3 7957 47.108 92.349 34.469 1.00 0.00 WT3 H ATOM 45936 H2 TIP3 7957 47.895 93.501 33.881 1.00 0.00 WT3 H ATOM 45937 OH2 TIP3 7958 69.738 90.580 54.454 1.00 0.00 WT3 O ATOM 45938 H1 TIP3 7958 70.129 89.813 54.037 1.00 0.00 WT3 H ATOM 45939 H2 TIP3 7958 70.429 90.923 55.022 1.00 0.00 WT3 H ATOM 45940 OH2 TIP3 7960 32.037 23.916 -13.983 1.00 0.00 WT3 O ATOM 45941 H1 TIP3 7960 32.706 24.195 -14.609 1.00 0.00 WT3 H ATOM 45942 H2 TIP3 7960 31.587 23.193 -14.419 1.00 0.00 WT3 H ATOM 45943 OH2 TIP3 7961 41.596 15.919 -18.307 1.00 0.00 WT3 O ATOM 45944 H1 TIP3 7961 41.872 15.939 -17.391 1.00 0.00 WT3 H ATOM 45945 H2 TIP3 7961 42.361 15.590 -18.780 1.00 0.00 WT3 H ATOM 45946 OH2 TIP3 7962 23.892 58.322 58.023 1.00 0.00 WT3 O ATOM 45947 H1 TIP3 7962 23.070 58.367 57.536 1.00 0.00 WT3 H ATOM 45948 H2 TIP3 7962 24.478 57.817 57.459 1.00 0.00 WT3 H ATOM 45949 OH2 TIP3 7963 46.012 42.897 0.536 1.00 0.00 WT3 O ATOM 45950 H1 TIP3 7963 45.316 43.476 0.847 1.00 0.00 WT3 H ATOM 45951 H2 TIP3 7963 46.513 42.681 1.322 1.00 0.00 WT3 H ATOM 45952 OH2 TIP3 7964 89.316 9.297 -0.924 1.00 0.00 WT3 O ATOM 45953 H1 TIP3 7964 89.779 9.885 -0.327 1.00 0.00 WT3 H ATOM 45954 H2 TIP3 7964 89.785 8.466 -0.853 1.00 0.00 WT3 H ATOM 45955 OH2 TIP3 7965 21.806 52.427 -0.184 1.00 0.00 WT3 O ATOM 45956 H1 TIP3 7965 22.166 52.942 -0.906 1.00 0.00 WT3 H ATOM 45957 H2 TIP3 7965 20.862 52.581 -0.226 1.00 0.00 WT3 H ATOM 45958 OH2 TIP3 7966 76.001 44.091 18.313 1.00 0.00 WT3 O ATOM 45959 H1 TIP3 7966 76.751 44.402 18.819 1.00 0.00 WT3 H ATOM 45960 H2 TIP3 7966 75.552 44.889 18.033 1.00 0.00 WT3 H ATOM 45961 OH2 TIP3 7967 53.464 96.106 40.506 1.00 0.00 WT3 O ATOM 45962 H1 TIP3 7967 53.749 95.334 40.018 1.00 0.00 WT3 H ATOM 45963 H2 TIP3 7967 53.676 96.844 39.934 1.00 0.00 WT3 H ATOM 45964 OH2 TIP3 7969 51.733 95.674 24.782 1.00 0.00 WT3 O ATOM 45965 H1 TIP3 7969 52.020 95.099 24.073 1.00 0.00 WT3 H ATOM 45966 H2 TIP3 7969 50.788 95.759 24.655 1.00 0.00 WT3 H ATOM 45967 OH2 TIP3 7970 81.443 80.001 19.572 1.00 0.00 WT3 O ATOM 45968 H1 TIP3 7970 82.387 79.932 19.712 1.00 0.00 WT3 H ATOM 45969 H2 TIP3 7970 81.090 79.174 19.900 1.00 0.00 WT3 H ATOM 45970 OH2 TIP3 7973 86.041 85.235 59.599 1.00 0.00 WT3 O ATOM 45971 H1 TIP3 7973 85.134 85.230 59.292 1.00 0.00 WT3 H ATOM 45972 H2 TIP3 7973 86.388 84.382 59.336 1.00 0.00 WT3 H ATOM 45973 OH2 TIP3 7974 20.889 7.668 -15.509 1.00 0.00 WT3 O ATOM 45974 H1 TIP3 7974 20.658 7.513 -16.424 1.00 0.00 WT3 H ATOM 45975 H2 TIP3 7974 20.154 8.169 -15.156 1.00 0.00 WT3 H ATOM 45976 OH2 TIP3 7976 68.060 78.253 9.910 1.00 0.00 WT3 O ATOM 45977 H1 TIP3 7976 67.333 78.050 10.499 1.00 0.00 WT3 H ATOM 45978 H2 TIP3 7976 68.101 77.505 9.314 1.00 0.00 WT3 H ATOM 45979 OH2 TIP3 7978 61.836 68.645 61.115 1.00 0.00 WT3 O ATOM 45980 H1 TIP3 7978 61.373 68.673 60.278 1.00 0.00 WT3 H ATOM 45981 H2 TIP3 7978 62.728 68.382 60.887 1.00 0.00 WT3 H ATOM 45982 OH2 TIP3 7980 49.328 68.409 9.619 1.00 0.00 WT3 O ATOM 45983 H1 TIP3 7980 49.058 67.789 10.297 1.00 0.00 WT3 H ATOM 45984 H2 TIP3 7980 48.561 68.967 9.486 1.00 0.00 WT3 H ATOM 45985 OH2 TIP3 7981 43.280 71.093 60.505 1.00 0.00 WT3 O ATOM 45986 H1 TIP3 7981 42.861 70.733 61.286 1.00 0.00 WT3 H ATOM 45987 H2 TIP3 7981 42.553 71.335 59.932 1.00 0.00 WT3 H ATOM 45988 OH2 TIP3 7982 42.608 84.594 -17.564 1.00 0.00 WT3 O ATOM 45989 H1 TIP3 7982 42.118 85.183 -18.138 1.00 0.00 WT3 H ATOM 45990 H2 TIP3 7982 42.066 84.517 -16.779 1.00 0.00 WT3 H ATOM 45991 OH2 TIP3 7983 33.620 19.650 31.076 1.00 0.00 WT3 O ATOM 45992 H1 TIP3 7983 33.250 19.736 31.954 1.00 0.00 WT3 H ATOM 45993 H2 TIP3 7983 32.927 19.958 30.492 1.00 0.00 WT3 H ATOM 45994 OH2 TIP3 7984 70.893 84.463 -14.272 1.00 0.00 WT3 O ATOM 45995 H1 TIP3 7984 71.572 83.795 -14.368 1.00 0.00 WT3 H ATOM 45996 H2 TIP3 7984 70.081 84.016 -14.511 1.00 0.00 WT3 H ATOM 45997 OH2 TIP3 7985 66.886 79.139 52.399 1.00 0.00 WT3 O ATOM 45998 H1 TIP3 7985 67.249 78.771 53.205 1.00 0.00 WT3 H ATOM 45999 H2 TIP3 7985 66.624 78.375 51.884 1.00 0.00 WT3 H ATOM 46000 OH2 TIP3 7986 21.553 68.136 47.594 1.00 0.00 WT3 O ATOM 46001 H1 TIP3 7986 22.368 68.081 47.095 1.00 0.00 WT3 H ATOM 46002 H2 TIP3 7986 21.321 69.065 47.573 1.00 0.00 WT3 H ATOM 46003 OH2 TIP3 7987 27.467 64.925 -11.902 1.00 0.00 WT3 O ATOM 46004 H1 TIP3 7987 28.109 65.337 -12.480 1.00 0.00 WT3 H ATOM 46005 H2 TIP3 7987 27.048 64.258 -12.445 1.00 0.00 WT3 H ATOM 46006 OH2 TIP3 7988 60.350 4.215 -6.118 1.00 0.00 WT3 O ATOM 46007 H1 TIP3 7988 59.923 3.361 -6.048 1.00 0.00 WT3 H ATOM 46008 H2 TIP3 7988 60.181 4.637 -5.275 1.00 0.00 WT3 H ATOM 46009 OH2 TIP3 7989 77.035 34.874 -7.496 1.00 0.00 WT3 O ATOM 46010 H1 TIP3 7989 77.407 35.662 -7.101 1.00 0.00 WT3 H ATOM 46011 H2 TIP3 7989 76.749 34.344 -6.752 1.00 0.00 WT3 H ATOM 46012 OH2 TIP3 7990 86.643 20.112 7.908 1.00 0.00 WT3 O ATOM 46013 H1 TIP3 7990 87.599 20.134 7.878 1.00 0.00 WT3 H ATOM 46014 H2 TIP3 7990 86.369 20.846 7.357 1.00 0.00 WT3 H ATOM 46015 OH2 TIP3 7991 42.274 89.914 10.920 1.00 0.00 WT3 O ATOM 46016 H1 TIP3 7991 41.940 89.062 11.198 1.00 0.00 WT3 H ATOM 46017 H2 TIP3 7991 41.795 90.110 10.116 1.00 0.00 WT3 H ATOM 46018 OH2 TIP3 7992 25.306 36.854 62.291 1.00 0.00 WT3 O ATOM 46019 H1 TIP3 7992 25.591 36.614 61.410 1.00 0.00 WT3 H ATOM 46020 H2 TIP3 7992 25.344 37.810 62.304 1.00 0.00 WT3 H ATOM 46021 OH2 TIP3 7993 46.640 55.716 63.119 1.00 0.00 WT3 O ATOM 46022 H1 TIP3 7993 47.443 56.205 63.297 1.00 0.00 WT3 H ATOM 46023 H2 TIP3 7993 46.658 54.990 63.741 1.00 0.00 WT3 H ATOM 46024 OH2 TIP3 7995 82.109 68.983 40.075 1.00 0.00 WT3 O ATOM 46025 H1 TIP3 7995 82.793 68.332 40.234 1.00 0.00 WT3 H ATOM 46026 H2 TIP3 7995 81.576 68.605 39.375 1.00 0.00 WT3 H ATOM 46027 OH2 TIP3 7996 84.356 95.830 1.804 1.00 0.00 WT3 O ATOM 46028 H1 TIP3 7996 84.812 95.121 1.350 1.00 0.00 WT3 H ATOM 46029 H2 TIP3 7996 84.107 96.439 1.108 1.00 0.00 WT3 H ATOM 46030 OH2 TIP3 7997 81.104 54.382 31.638 1.00 0.00 WT3 O ATOM 46031 H1 TIP3 7997 81.848 54.895 31.954 1.00 0.00 WT3 H ATOM 46032 H2 TIP3 7997 80.570 55.009 31.150 1.00 0.00 WT3 H ATOM 46033 OH2 TIP3 7999 71.041 64.097 -17.830 1.00 0.00 WT3 O ATOM 46034 H1 TIP3 7999 71.652 64.045 -18.565 1.00 0.00 WT3 H ATOM 46035 H2 TIP3 7999 70.512 63.302 -17.902 1.00 0.00 WT3 H ATOM 46036 OH2 TIP3 8001 77.060 84.368 -16.214 1.00 0.00 WT3 O ATOM 46037 H1 TIP3 8001 77.406 85.130 -15.749 1.00 0.00 WT3 H ATOM 46038 H2 TIP3 8001 77.323 84.504 -17.125 1.00 0.00 WT3 H ATOM 46039 OH2 TIP3 8002 82.421 44.621 -1.373 1.00 0.00 WT3 O ATOM 46040 H1 TIP3 8002 81.680 44.760 -1.963 1.00 0.00 WT3 H ATOM 46041 H2 TIP3 8002 82.075 44.059 -0.680 1.00 0.00 WT3 H ATOM 46042 OH2 TIP3 8003 49.567 85.600 19.039 1.00 0.00 WT3 O ATOM 46043 H1 TIP3 8003 49.423 84.833 19.592 1.00 0.00 WT3 H ATOM 46044 H2 TIP3 8003 48.936 85.504 18.326 1.00 0.00 WT3 H ATOM 46045 OH2 TIP3 8004 73.925 94.490 63.610 1.00 0.00 WT3 O ATOM 46046 H1 TIP3 8004 73.994 95.079 64.362 1.00 0.00 WT3 H ATOM 46047 H2 TIP3 8004 74.188 95.026 62.861 1.00 0.00 WT3 H ATOM 46048 OH2 TIP3 8005 47.509 93.905 23.680 1.00 0.00 WT3 O ATOM 46049 H1 TIP3 8005 47.609 94.852 23.784 1.00 0.00 WT3 H ATOM 46050 H2 TIP3 8005 47.728 93.740 22.763 1.00 0.00 WT3 H ATOM 46051 OH2 TIP3 8006 29.398 60.807 25.312 1.00 0.00 WT3 O ATOM 46052 H1 TIP3 8006 30.140 60.626 24.736 1.00 0.00 WT3 H ATOM 46053 H2 TIP3 8006 29.280 60.000 25.813 1.00 0.00 WT3 H ATOM 46054 OH2 TIP3 8007 62.660 48.560 13.615 1.00 0.00 WT3 O ATOM 46055 H1 TIP3 8007 62.665 48.618 14.571 1.00 0.00 WT3 H ATOM 46056 H2 TIP3 8007 61.797 48.205 13.401 1.00 0.00 WT3 H ATOM 46057 OH2 TIP3 8008 50.651 70.939 54.673 1.00 0.00 WT3 O ATOM 46058 H1 TIP3 8008 49.898 70.566 55.131 1.00 0.00 WT3 H ATOM 46059 H2 TIP3 8008 50.294 71.261 53.846 1.00 0.00 WT3 H ATOM 46060 OH2 TIP3 8009 21.239 43.933 15.221 1.00 0.00 WT3 O ATOM 46061 H1 TIP3 8009 20.844 43.400 15.911 1.00 0.00 WT3 H ATOM 46062 H2 TIP3 8009 21.817 44.538 15.687 1.00 0.00 WT3 H ATOM 46063 OH2 TIP3 8011 64.724 3.471 61.646 1.00 0.00 WT3 O ATOM 46064 H1 TIP3 8011 65.237 2.701 61.888 1.00 0.00 WT3 H ATOM 46065 H2 TIP3 8011 65.371 4.102 61.331 1.00 0.00 WT3 H ATOM 46066 OH2 TIP3 8013 70.672 58.315 40.732 1.00 0.00 WT3 O ATOM 46067 H1 TIP3 8013 70.150 59.118 40.757 1.00 0.00 WT3 H ATOM 46068 H2 TIP3 8013 70.149 57.675 41.214 1.00 0.00 WT3 H ATOM 46069 OH2 TIP3 8014 90.581 46.307 -12.020 1.00 0.00 WT3 O ATOM 46070 H1 TIP3 8014 90.437 45.587 -12.634 1.00 0.00 WT3 H ATOM 46071 H2 TIP3 8014 89.977 46.132 -11.298 1.00 0.00 WT3 H ATOM 46072 OH2 TIP3 8016 24.382 88.792 0.048 1.00 0.00 WT3 O ATOM 46073 H1 TIP3 8016 25.258 88.528 -0.232 1.00 0.00 WT3 H ATOM 46074 H2 TIP3 8016 24.533 89.482 0.694 1.00 0.00 WT3 H ATOM 46075 OH2 TIP3 8017 24.786 32.425 12.508 1.00 0.00 WT3 O ATOM 46076 H1 TIP3 8017 24.653 32.730 11.610 1.00 0.00 WT3 H ATOM 46077 H2 TIP3 8017 25.276 33.129 12.931 1.00 0.00 WT3 H ATOM 46078 OH2 TIP3 8018 68.223 67.077 -19.942 1.00 0.00 WT3 O ATOM 46079 H1 TIP3 8018 68.749 66.880 -19.167 1.00 0.00 WT3 H ATOM 46080 H2 TIP3 8018 67.328 66.853 -19.688 1.00 0.00 WT3 H ATOM 46081 OH2 TIP3 8019 88.827 76.519 3.722 1.00 0.00 WT3 O ATOM 46082 H1 TIP3 8019 89.773 76.664 3.736 1.00 0.00 WT3 H ATOM 46083 H2 TIP3 8019 88.564 76.559 4.641 1.00 0.00 WT3 H ATOM 46084 OH2 TIP3 8022 69.193 51.827 12.980 1.00 0.00 WT3 O ATOM 46085 H1 TIP3 8022 68.265 52.033 12.873 1.00 0.00 WT3 H ATOM 46086 H2 TIP3 8022 69.535 51.792 12.086 1.00 0.00 WT3 H ATOM 46087 OH2 TIP3 8023 30.183 89.761 -6.377 1.00 0.00 WT3 O ATOM 46088 H1 TIP3 8023 30.675 89.571 -7.175 1.00 0.00 WT3 H ATOM 46089 H2 TIP3 8023 29.746 90.594 -6.557 1.00 0.00 WT3 H ATOM 46090 OH2 TIP3 8024 37.220 60.167 6.609 1.00 0.00 WT3 O ATOM 46091 H1 TIP3 8024 38.176 60.198 6.609 1.00 0.00 WT3 H ATOM 46092 H2 TIP3 8024 36.958 60.807 7.270 1.00 0.00 WT3 H ATOM 46093 OH2 TIP3 8025 20.505 69.435 41.329 1.00 0.00 WT3 O ATOM 46094 H1 TIP3 8025 20.506 68.896 40.538 1.00 0.00 WT3 H ATOM 46095 H2 TIP3 8025 21.277 69.148 41.816 1.00 0.00 WT3 H ATOM 46096 OH2 TIP3 8026 23.748 39.840 41.598 1.00 0.00 WT3 O ATOM 46097 H1 TIP3 8026 23.445 40.706 41.327 1.00 0.00 WT3 H ATOM 46098 H2 TIP3 8026 23.228 39.229 41.076 1.00 0.00 WT3 H ATOM 46099 OH2 TIP3 8027 79.694 23.036 61.673 1.00 0.00 WT3 O ATOM 46100 H1 TIP3 8027 79.836 23.507 62.494 1.00 0.00 WT3 H ATOM 46101 H2 TIP3 8027 80.573 22.791 61.382 1.00 0.00 WT3 H ATOM 46102 OH2 TIP3 8028 67.074 44.141 34.854 1.00 0.00 WT3 O ATOM 46103 H1 TIP3 8028 67.335 43.570 35.576 1.00 0.00 WT3 H ATOM 46104 H2 TIP3 8028 67.875 44.269 34.347 1.00 0.00 WT3 H ATOM 46105 OH2 TIP3 8029 69.923 53.284 -15.003 1.00 0.00 WT3 O ATOM 46106 H1 TIP3 8029 69.071 53.553 -15.346 1.00 0.00 WT3 H ATOM 46107 H2 TIP3 8029 69.726 52.560 -14.409 1.00 0.00 WT3 H ATOM 46108 OH2 TIP3 8030 69.231 28.312 -17.259 1.00 0.00 WT3 O ATOM 46109 H1 TIP3 8030 69.573 29.114 -16.866 1.00 0.00 WT3 H ATOM 46110 H2 TIP3 8030 68.286 28.454 -17.311 1.00 0.00 WT3 H ATOM 46111 OH2 TIP3 8032 30.567 96.089 43.418 1.00 0.00 WT3 O ATOM 46112 H1 TIP3 8032 30.374 95.987 44.350 1.00 0.00 WT3 H ATOM 46113 H2 TIP3 8032 30.785 95.206 43.120 1.00 0.00 WT3 H ATOM 46114 OH2 TIP3 8034 66.206 72.028 33.700 1.00 0.00 WT3 O ATOM 46115 H1 TIP3 8034 66.925 71.976 33.070 1.00 0.00 WT3 H ATOM 46116 H2 TIP3 8034 65.535 71.445 33.346 1.00 0.00 WT3 H ATOM 46117 OH2 TIP3 8035 40.954 94.200 19.801 1.00 0.00 WT3 O ATOM 46118 H1 TIP3 8035 40.267 93.962 20.424 1.00 0.00 WT3 H ATOM 46119 H2 TIP3 8035 40.913 93.521 19.128 1.00 0.00 WT3 H ATOM 46120 OH2 TIP3 8036 90.238 62.933 13.008 1.00 0.00 WT3 O ATOM 46121 H1 TIP3 8036 90.346 62.040 12.681 1.00 0.00 WT3 H ATOM 46122 H2 TIP3 8036 90.939 63.039 13.651 1.00 0.00 WT3 H ATOM 46123 OH2 TIP3 8037 27.324 51.472 -13.264 1.00 0.00 WT3 O ATOM 46124 H1 TIP3 8037 27.208 52.080 -12.533 1.00 0.00 WT3 H ATOM 46125 H2 TIP3 8037 27.124 51.992 -14.042 1.00 0.00 WT3 H ATOM 46126 OH2 TIP3 8038 90.085 80.022 60.796 1.00 0.00 WT3 O ATOM 46127 H1 TIP3 8038 90.987 79.705 60.843 1.00 0.00 WT3 H ATOM 46128 H2 TIP3 8038 89.816 79.847 59.895 1.00 0.00 WT3 H ATOM 46129 OH2 TIP3 8039 45.583 22.401 29.982 1.00 0.00 WT3 O ATOM 46130 H1 TIP3 8039 45.213 21.578 29.663 1.00 0.00 WT3 H ATOM 46131 H2 TIP3 8039 45.045 23.080 29.576 1.00 0.00 WT3 H ATOM 46132 OH2 TIP3 8040 88.775 59.744 49.854 1.00 0.00 WT3 O ATOM 46133 H1 TIP3 8040 88.229 60.503 50.059 1.00 0.00 WT3 H ATOM 46134 H2 TIP3 8040 89.255 59.568 50.663 1.00 0.00 WT3 H ATOM 46135 OH2 TIP3 8041 53.546 20.475 52.170 1.00 0.00 WT3 O ATOM 46136 H1 TIP3 8041 53.368 20.891 51.327 1.00 0.00 WT3 H ATOM 46137 H2 TIP3 8041 54.408 20.807 52.424 1.00 0.00 WT3 H ATOM 46138 OH2 TIP3 8042 89.995 52.279 8.828 1.00 0.00 WT3 O ATOM 46139 H1 TIP3 8042 90.692 52.926 8.932 1.00 0.00 WT3 H ATOM 46140 H2 TIP3 8042 90.273 51.538 9.366 1.00 0.00 WT3 H ATOM 46141 OH2 TIP3 8043 81.324 4.231 -5.334 1.00 0.00 WT3 O ATOM 46142 H1 TIP3 8043 80.840 4.824 -5.908 1.00 0.00 WT3 H ATOM 46143 H2 TIP3 8043 80.837 4.243 -4.510 1.00 0.00 WT3 H ATOM 46144 OH2 TIP3 8045 74.191 35.713 30.314 1.00 0.00 WT3 O ATOM 46145 H1 TIP3 8045 74.968 35.185 30.129 1.00 0.00 WT3 H ATOM 46146 H2 TIP3 8045 74.303 35.994 31.223 1.00 0.00 WT3 H ATOM 46147 OH2 TIP3 8046 59.292 86.556 0.994 1.00 0.00 WT3 O ATOM 46148 H1 TIP3 8046 59.268 87.387 1.468 1.00 0.00 WT3 H ATOM 46149 H2 TIP3 8046 58.637 86.012 1.430 1.00 0.00 WT3 H ATOM 46150 OH2 TIP3 8047 85.461 29.781 -16.478 1.00 0.00 WT3 O ATOM 46151 H1 TIP3 8047 85.282 30.015 -15.567 1.00 0.00 WT3 H ATOM 46152 H2 TIP3 8047 86.367 29.473 -16.473 1.00 0.00 WT3 H ATOM 46153 OH2 TIP3 8049 81.147 56.409 18.544 1.00 0.00 WT3 O ATOM 46154 H1 TIP3 8049 81.983 56.147 18.930 1.00 0.00 WT3 H ATOM 46155 H2 TIP3 8049 81.342 56.542 17.616 1.00 0.00 WT3 H ATOM 46156 OH2 TIP3 8051 48.531 42.264 -14.116 1.00 0.00 WT3 O ATOM 46157 H1 TIP3 8051 48.925 42.115 -14.975 1.00 0.00 WT3 H ATOM 46158 H2 TIP3 8051 49.238 42.091 -13.494 1.00 0.00 WT3 H ATOM 46159 OH2 TIP3 8052 48.707 7.393 12.863 1.00 0.00 WT3 O ATOM 46160 H1 TIP3 8052 48.227 8.011 13.414 1.00 0.00 WT3 H ATOM 46161 H2 TIP3 8052 48.748 7.817 12.006 1.00 0.00 WT3 H ATOM 46162 OH2 TIP3 8053 61.207 90.932 6.643 1.00 0.00 WT3 O ATOM 46163 H1 TIP3 8053 61.072 91.649 6.023 1.00 0.00 WT3 H ATOM 46164 H2 TIP3 8053 60.954 91.297 7.491 1.00 0.00 WT3 H ATOM 46165 OH2 TIP3 8054 53.185 78.309 43.576 1.00 0.00 WT3 O ATOM 46166 H1 TIP3 8054 52.494 78.555 42.961 1.00 0.00 WT3 H ATOM 46167 H2 TIP3 8054 52.976 77.408 43.825 1.00 0.00 WT3 H ATOM 46168 OH2 TIP3 8055 38.766 30.110 32.901 1.00 0.00 WT3 O ATOM 46169 H1 TIP3 8055 37.905 30.341 32.554 1.00 0.00 WT3 H ATOM 46170 H2 TIP3 8055 39.338 30.825 32.622 1.00 0.00 WT3 H ATOM 46171 OH2 TIP3 8056 83.687 75.718 -3.574 1.00 0.00 WT3 O ATOM 46172 H1 TIP3 8056 83.255 75.542 -2.738 1.00 0.00 WT3 H ATOM 46173 H2 TIP3 8056 83.787 74.856 -3.978 1.00 0.00 WT3 H ATOM 46174 OH2 TIP3 8057 37.301 85.345 -7.618 1.00 0.00 WT3 O ATOM 46175 H1 TIP3 8057 37.319 86.240 -7.955 1.00 0.00 WT3 H ATOM 46176 H2 TIP3 8057 36.808 84.852 -8.274 1.00 0.00 WT3 H ATOM 46177 OH2 TIP3 8058 73.686 1.544 11.507 1.00 0.00 WT3 O ATOM 46178 H1 TIP3 8058 74.370 0.905 11.705 1.00 0.00 WT3 H ATOM 46179 H2 TIP3 8058 72.874 1.122 11.789 1.00 0.00 WT3 H ATOM 46180 OH2 TIP3 8059 42.365 84.299 42.723 1.00 0.00 WT3 O ATOM 46181 H1 TIP3 8059 42.270 84.204 43.670 1.00 0.00 WT3 H ATOM 46182 H2 TIP3 8059 43.192 84.768 42.610 1.00 0.00 WT3 H ATOM 46183 OH2 TIP3 8060 83.202 60.054 49.839 1.00 0.00 WT3 O ATOM 46184 H1 TIP3 8060 84.019 60.153 49.351 1.00 0.00 WT3 H ATOM 46185 H2 TIP3 8060 82.517 60.274 49.208 1.00 0.00 WT3 H ATOM 46186 OH2 TIP3 8061 53.706 21.727 -4.305 1.00 0.00 WT3 O ATOM 46187 H1 TIP3 8061 54.274 20.970 -4.449 1.00 0.00 WT3 H ATOM 46188 H2 TIP3 8061 53.256 21.851 -5.141 1.00 0.00 WT3 H ATOM 46189 OH2 TIP3 8062 50.261 68.566 57.247 1.00 0.00 WT3 O ATOM 46190 H1 TIP3 8062 50.821 69.341 57.273 1.00 0.00 WT3 H ATOM 46191 H2 TIP3 8062 50.016 68.477 56.326 1.00 0.00 WT3 H ATOM 46192 OH2 TIP3 8063 88.015 23.302 56.879 1.00 0.00 WT3 O ATOM 46193 H1 TIP3 8063 87.419 24.021 56.671 1.00 0.00 WT3 H ATOM 46194 H2 TIP3 8063 88.889 23.661 56.722 1.00 0.00 WT3 H ATOM 46195 OH2 TIP3 8064 83.123 58.425 -0.928 1.00 0.00 WT3 O ATOM 46196 H1 TIP3 8064 82.270 58.113 -0.624 1.00 0.00 WT3 H ATOM 46197 H2 TIP3 8064 83.067 59.378 -0.864 1.00 0.00 WT3 H ATOM 46198 OH2 TIP3 8065 37.215 21.642 23.348 1.00 0.00 WT3 O ATOM 46199 H1 TIP3 8065 37.369 20.731 23.598 1.00 0.00 WT3 H ATOM 46200 H2 TIP3 8065 38.045 21.928 22.966 1.00 0.00 WT3 H ATOM 46201 OH2 TIP3 8066 67.933 63.648 43.731 1.00 0.00 WT3 O ATOM 46202 H1 TIP3 8066 67.001 63.853 43.651 1.00 0.00 WT3 H ATOM 46203 H2 TIP3 8066 68.161 63.240 42.895 1.00 0.00 WT3 H ATOM 46204 OH2 TIP3 8067 23.760 54.617 -7.087 1.00 0.00 WT3 O ATOM 46205 H1 TIP3 8067 22.940 54.899 -6.681 1.00 0.00 WT3 H ATOM 46206 H2 TIP3 8067 24.081 55.395 -7.544 1.00 0.00 WT3 H ATOM 46207 OH2 TIP3 8068 67.953 93.211 2.154 1.00 0.00 WT3 O ATOM 46208 H1 TIP3 8068 67.225 92.591 2.192 1.00 0.00 WT3 H ATOM 46209 H2 TIP3 8068 67.552 94.062 2.329 1.00 0.00 WT3 H ATOM 46210 OH2 TIP3 8069 76.405 30.061 -18.313 1.00 0.00 WT3 O ATOM 46211 H1 TIP3 8069 76.373 30.466 -19.180 1.00 0.00 WT3 H ATOM 46212 H2 TIP3 8069 76.638 29.149 -18.483 1.00 0.00 WT3 H ATOM 46213 OH2 TIP3 8070 54.744 30.959 7.001 1.00 0.00 WT3 O ATOM 46214 H1 TIP3 8070 55.089 30.174 7.426 1.00 0.00 WT3 H ATOM 46215 H2 TIP3 8070 54.165 31.351 7.655 1.00 0.00 WT3 H ATOM 46216 OH2 TIP3 8071 88.633 75.845 41.915 1.00 0.00 WT3 O ATOM 46217 H1 TIP3 8071 89.279 75.412 42.473 1.00 0.00 WT3 H ATOM 46218 H2 TIP3 8071 88.553 75.272 41.152 1.00 0.00 WT3 H ATOM 46219 OH2 TIP3 8073 80.108 61.108 -17.773 1.00 0.00 WT3 O ATOM 46220 H1 TIP3 8073 80.721 61.182 -17.041 1.00 0.00 WT3 H ATOM 46221 H2 TIP3 8073 79.312 60.746 -17.383 1.00 0.00 WT3 H ATOM 46222 OH2 TIP3 8074 38.664 21.053 65.201 1.00 0.00 WT3 O ATOM 46223 H1 TIP3 8074 38.101 21.120 65.973 1.00 0.00 WT3 H ATOM 46224 H2 TIP3 8074 38.155 20.537 64.576 1.00 0.00 WT3 H ATOM 46225 OH2 TIP3 8075 36.448 12.723 24.961 1.00 0.00 WT3 O ATOM 46226 H1 TIP3 8075 37.189 12.419 25.484 1.00 0.00 WT3 H ATOM 46227 H2 TIP3 8075 36.670 13.626 24.733 1.00 0.00 WT3 H ATOM 46228 OH2 TIP3 8076 61.779 73.235 -14.239 1.00 0.00 WT3 O ATOM 46229 H1 TIP3 8076 60.914 72.979 -13.920 1.00 0.00 WT3 H ATOM 46230 H2 TIP3 8076 61.976 74.047 -13.773 1.00 0.00 WT3 H ATOM 46231 OH2 TIP3 8077 66.879 2.439 23.519 1.00 0.00 WT3 O ATOM 46232 H1 TIP3 8077 66.293 3.179 23.362 1.00 0.00 WT3 H ATOM 46233 H2 TIP3 8077 66.920 1.982 22.678 1.00 0.00 WT3 H ATOM 46234 OH2 TIP3 8079 79.496 25.719 5.675 1.00 0.00 WT3 O ATOM 46235 H1 TIP3 8079 78.747 25.256 6.048 1.00 0.00 WT3 H ATOM 46236 H2 TIP3 8079 79.708 26.393 6.321 1.00 0.00 WT3 H ATOM 46237 OH2 TIP3 8080 72.185 1.910 15.332 1.00 0.00 WT3 O ATOM 46238 H1 TIP3 8080 72.629 2.686 14.991 1.00 0.00 WT3 H ATOM 46239 H2 TIP3 8080 72.679 1.173 14.974 1.00 0.00 WT3 H ATOM 46240 OH2 TIP3 8081 76.963 69.463 -17.323 1.00 0.00 WT3 O ATOM 46241 H1 TIP3 8081 77.444 68.677 -17.585 1.00 0.00 WT3 H ATOM 46242 H2 TIP3 8081 77.037 69.483 -16.369 1.00 0.00 WT3 H ATOM 46243 OH2 TIP3 8082 64.960 6.500 26.964 1.00 0.00 WT3 O ATOM 46244 H1 TIP3 8082 64.296 6.162 26.363 1.00 0.00 WT3 H ATOM 46245 H2 TIP3 8082 65.491 5.736 27.190 1.00 0.00 WT3 H ATOM 46246 OH2 TIP3 8083 37.389 88.757 28.480 1.00 0.00 WT3 O ATOM 46247 H1 TIP3 8083 37.004 89.405 29.071 1.00 0.00 WT3 H ATOM 46248 H2 TIP3 8083 38.179 88.459 28.931 1.00 0.00 WT3 H ATOM 46249 OH2 TIP3 8084 69.548 22.923 4.936 1.00 0.00 WT3 O ATOM 46250 H1 TIP3 8084 69.802 23.512 4.225 1.00 0.00 WT3 H ATOM 46251 H2 TIP3 8084 68.794 23.351 5.344 1.00 0.00 WT3 H ATOM 46252 OH2 TIP3 8085 42.093 0.828 60.048 1.00 0.00 WT3 O ATOM 46253 H1 TIP3 8085 42.066 1.325 60.866 1.00 0.00 WT3 H ATOM 46254 H2 TIP3 8085 41.185 0.811 59.748 1.00 0.00 WT3 H ATOM 46255 OH2 TIP3 8086 46.712 80.325 -13.959 1.00 0.00 WT3 O ATOM 46256 H1 TIP3 8086 46.596 80.763 -14.801 1.00 0.00 WT3 H ATOM 46257 H2 TIP3 8086 47.565 79.895 -14.027 1.00 0.00 WT3 H ATOM 46258 OH2 TIP3 8087 81.561 63.415 -9.130 1.00 0.00 WT3 O ATOM 46259 H1 TIP3 8087 81.821 63.227 -8.228 1.00 0.00 WT3 H ATOM 46260 H2 TIP3 8087 80.670 63.756 -9.056 1.00 0.00 WT3 H ATOM 46261 OH2 TIP3 8088 62.992 14.293 4.474 1.00 0.00 WT3 O ATOM 46262 H1 TIP3 8088 63.640 14.552 5.130 1.00 0.00 WT3 H ATOM 46263 H2 TIP3 8088 62.276 14.919 4.584 1.00 0.00 WT3 H ATOM 46264 OH2 TIP3 8089 70.029 84.281 39.531 1.00 0.00 WT3 O ATOM 46265 H1 TIP3 8089 69.144 83.919 39.584 1.00 0.00 WT3 H ATOM 46266 H2 TIP3 8089 70.073 84.680 38.662 1.00 0.00 WT3 H ATOM 46267 OH2 TIP3 8090 60.583 58.182 46.151 1.00 0.00 WT3 O ATOM 46268 H1 TIP3 8090 59.945 57.988 46.838 1.00 0.00 WT3 H ATOM 46269 H2 TIP3 8090 60.112 58.020 45.334 1.00 0.00 WT3 H ATOM 46270 OH2 TIP3 8091 79.494 52.096 65.916 1.00 0.00 WT3 O ATOM 46271 H1 TIP3 8091 78.705 51.707 65.539 1.00 0.00 WT3 H ATOM 46272 H2 TIP3 8091 79.471 51.841 66.838 1.00 0.00 WT3 H ATOM 46273 OH2 TIP3 8092 31.808 60.977 63.194 1.00 0.00 WT3 O ATOM 46274 H1 TIP3 8092 31.230 60.813 63.940 1.00 0.00 WT3 H ATOM 46275 H2 TIP3 8092 31.647 60.243 62.601 1.00 0.00 WT3 H ATOM 46276 OH2 TIP3 8093 45.679 36.539 -18.335 1.00 0.00 WT3 O ATOM 46277 H1 TIP3 8093 46.269 35.947 -17.868 1.00 0.00 WT3 H ATOM 46278 H2 TIP3 8093 46.144 37.376 -18.353 1.00 0.00 WT3 H ATOM 46279 OH2 TIP3 8094 76.911 58.713 38.091 1.00 0.00 WT3 O ATOM 46280 H1 TIP3 8094 76.776 58.741 39.038 1.00 0.00 WT3 H ATOM 46281 H2 TIP3 8094 76.048 58.507 37.731 1.00 0.00 WT3 H ATOM 46282 OH2 TIP3 8095 69.967 34.107 32.646 1.00 0.00 WT3 O ATOM 46283 H1 TIP3 8095 70.269 35.013 32.589 1.00 0.00 WT3 H ATOM 46284 H2 TIP3 8095 69.044 34.145 32.394 1.00 0.00 WT3 H ATOM 46285 OH2 TIP3 8096 34.141 79.538 30.872 1.00 0.00 WT3 O ATOM 46286 H1 TIP3 8096 33.590 80.238 30.523 1.00 0.00 WT3 H ATOM 46287 H2 TIP3 8096 34.526 79.127 30.098 1.00 0.00 WT3 H ATOM 46288 OH2 TIP3 8097 78.061 71.881 61.567 1.00 0.00 WT3 O ATOM 46289 H1 TIP3 8097 77.192 71.511 61.413 1.00 0.00 WT3 H ATOM 46290 H2 TIP3 8097 78.054 72.136 62.489 1.00 0.00 WT3 H ATOM 46291 OH2 TIP3 8099 23.813 10.891 46.973 1.00 0.00 WT3 O ATOM 46292 H1 TIP3 8099 23.934 10.560 46.083 1.00 0.00 WT3 H ATOM 46293 H2 TIP3 8099 23.931 11.837 46.895 1.00 0.00 WT3 H ATOM 46294 OH2 TIP3 8100 77.239 78.255 50.899 1.00 0.00 WT3 O ATOM 46295 H1 TIP3 8100 76.444 77.864 50.538 1.00 0.00 WT3 H ATOM 46296 H2 TIP3 8100 77.884 77.548 50.880 1.00 0.00 WT3 H ATOM 46297 OH2 TIP3 8101 58.504 19.632 21.904 1.00 0.00 WT3 O ATOM 46298 H1 TIP3 8101 58.585 19.533 22.852 1.00 0.00 WT3 H ATOM 46299 H2 TIP3 8101 58.477 20.578 21.763 1.00 0.00 WT3 H ATOM 46300 OH2 TIP3 8102 33.664 84.133 26.061 1.00 0.00 WT3 O ATOM 46301 H1 TIP3 8102 34.141 83.569 26.670 1.00 0.00 WT3 H ATOM 46302 H2 TIP3 8102 33.251 84.793 26.618 1.00 0.00 WT3 H ATOM 46303 OH2 TIP3 8103 38.314 28.649 0.868 1.00 0.00 WT3 O ATOM 46304 H1 TIP3 8103 38.626 28.415 1.742 1.00 0.00 WT3 H ATOM 46305 H2 TIP3 8103 38.232 29.602 0.890 1.00 0.00 WT3 H ATOM 46306 OH2 TIP3 8104 44.208 74.568 10.742 1.00 0.00 WT3 O ATOM 46307 H1 TIP3 8104 43.881 74.245 9.903 1.00 0.00 WT3 H ATOM 46308 H2 TIP3 8104 44.282 73.786 11.289 1.00 0.00 WT3 H ATOM 46309 OH2 TIP3 8105 78.369 49.076 -0.939 1.00 0.00 WT3 O ATOM 46310 H1 TIP3 8105 78.476 49.366 -0.034 1.00 0.00 WT3 H ATOM 46311 H2 TIP3 8105 78.071 49.856 -1.407 1.00 0.00 WT3 H ATOM 46312 OH2 TIP3 8106 74.316 79.227 2.267 1.00 0.00 WT3 O ATOM 46313 H1 TIP3 8106 74.548 79.228 1.338 1.00 0.00 WT3 H ATOM 46314 H2 TIP3 8106 74.475 78.328 2.553 1.00 0.00 WT3 H ATOM 46315 OH2 TIP3 8107 89.097 31.290 -3.413 1.00 0.00 WT3 O ATOM 46316 H1 TIP3 8107 88.892 31.493 -2.500 1.00 0.00 WT3 H ATOM 46317 H2 TIP3 8107 89.904 31.774 -3.590 1.00 0.00 WT3 H ATOM 46318 OH2 TIP3 8108 79.469 77.830 -18.565 1.00 0.00 WT3 O ATOM 46319 H1 TIP3 8108 78.965 77.934 -19.372 1.00 0.00 WT3 H ATOM 46320 H2 TIP3 8108 79.645 78.724 -18.274 1.00 0.00 WT3 H ATOM 46321 OH2 TIP3 8109 81.888 28.543 9.712 1.00 0.00 WT3 O ATOM 46322 H1 TIP3 8109 82.597 29.042 10.118 1.00 0.00 WT3 H ATOM 46323 H2 TIP3 8109 81.188 28.545 10.365 1.00 0.00 WT3 H ATOM 46324 OH2 TIP3 8110 22.227 49.247 -18.513 1.00 0.00 WT3 O ATOM 46325 H1 TIP3 8110 21.333 48.928 -18.639 1.00 0.00 WT3 H ATOM 46326 H2 TIP3 8110 22.762 48.454 -18.473 1.00 0.00 WT3 H ATOM 46327 OH2 TIP3 8111 62.402 80.370 10.577 1.00 0.00 WT3 O ATOM 46328 H1 TIP3 8111 62.834 80.476 9.729 1.00 0.00 WT3 H ATOM 46329 H2 TIP3 8111 62.919 79.702 11.027 1.00 0.00 WT3 H ATOM 46330 OH2 TIP3 8112 28.910 70.402 51.379 1.00 0.00 WT3 O ATOM 46331 H1 TIP3 8112 28.250 70.252 50.702 1.00 0.00 WT3 H ATOM 46332 H2 TIP3 8112 29.390 71.174 51.079 1.00 0.00 WT3 H ATOM 46333 OH2 TIP3 8113 86.135 62.987 28.784 1.00 0.00 WT3 O ATOM 46334 H1 TIP3 8113 85.946 63.829 28.370 1.00 0.00 WT3 H ATOM 46335 H2 TIP3 8113 86.499 62.450 28.079 1.00 0.00 WT3 H ATOM 46336 OH2 TIP3 8114 80.888 5.750 1.505 1.00 0.00 WT3 O ATOM 46337 H1 TIP3 8114 80.687 6.684 1.570 1.00 0.00 WT3 H ATOM 46338 H2 TIP3 8114 80.455 5.466 0.700 1.00 0.00 WT3 H ATOM 46339 OH2 TIP3 8116 43.973 93.843 -13.444 1.00 0.00 WT3 O ATOM 46340 H1 TIP3 8116 44.070 93.250 -14.189 1.00 0.00 WT3 H ATOM 46341 H2 TIP3 8116 43.912 94.713 -13.837 1.00 0.00 WT3 H ATOM 46342 OH2 TIP3 8117 72.856 77.525 22.337 1.00 0.00 WT3 O ATOM 46343 H1 TIP3 8117 72.068 77.045 22.591 1.00 0.00 WT3 H ATOM 46344 H2 TIP3 8117 73.476 77.361 23.048 1.00 0.00 WT3 H ATOM 46345 OH2 TIP3 8118 82.101 88.679 29.187 1.00 0.00 WT3 O ATOM 46346 H1 TIP3 8118 82.811 88.131 28.855 1.00 0.00 WT3 H ATOM 46347 H2 TIP3 8118 82.190 89.503 28.708 1.00 0.00 WT3 H ATOM 46348 OH2 TIP3 8121 54.225 82.059 20.796 1.00 0.00 WT3 O ATOM 46349 H1 TIP3 8121 53.799 81.554 21.488 1.00 0.00 WT3 H ATOM 46350 H2 TIP3 8121 53.549 82.663 20.489 1.00 0.00 WT3 H ATOM 46351 OH2 TIP3 8122 50.245 94.143 17.289 1.00 0.00 WT3 O ATOM 46352 H1 TIP3 8122 50.889 93.573 16.869 1.00 0.00 WT3 H ATOM 46353 H2 TIP3 8122 50.765 94.851 17.671 1.00 0.00 WT3 H ATOM 46354 OH2 TIP3 8123 89.218 66.987 54.034 1.00 0.00 WT3 O ATOM 46355 H1 TIP3 8123 89.903 67.028 53.367 1.00 0.00 WT3 H ATOM 46356 H2 TIP3 8123 88.891 66.088 53.987 1.00 0.00 WT3 H ATOM 46357 OH2 TIP3 8128 30.995 63.819 6.929 1.00 0.00 WT3 O ATOM 46358 H1 TIP3 8128 30.769 63.777 7.858 1.00 0.00 WT3 H ATOM 46359 H2 TIP3 8128 30.158 63.957 6.484 1.00 0.00 WT3 H ATOM 46360 OH2 TIP3 8129 75.822 83.181 40.246 1.00 0.00 WT3 O ATOM 46361 H1 TIP3 8129 75.696 83.100 39.300 1.00 0.00 WT3 H ATOM 46362 H2 TIP3 8129 74.947 83.363 40.590 1.00 0.00 WT3 H ATOM 46363 OH2 TIP3 8133 35.976 78.487 9.911 1.00 0.00 WT3 O ATOM 46364 H1 TIP3 8133 35.829 77.981 9.111 1.00 0.00 WT3 H ATOM 46365 H2 TIP3 8133 36.790 78.963 9.748 1.00 0.00 WT3 H ATOM 46366 OH2 TIP3 8135 80.256 95.022 -16.367 1.00 0.00 WT3 O ATOM 46367 H1 TIP3 8135 79.612 95.700 -16.569 1.00 0.00 WT3 H ATOM 46368 H2 TIP3 8135 81.094 95.485 -16.348 1.00 0.00 WT3 H ATOM 46369 OH2 TIP3 8137 57.787 66.002 23.151 1.00 0.00 WT3 O ATOM 46370 H1 TIP3 8137 58.513 65.947 22.530 1.00 0.00 WT3 H ATOM 46371 H2 TIP3 8137 57.008 66.091 22.602 1.00 0.00 WT3 H ATOM 46372 OH2 TIP3 8138 88.972 71.128 4.729 1.00 0.00 WT3 O ATOM 46373 H1 TIP3 8138 88.627 70.731 5.529 1.00 0.00 WT3 H ATOM 46374 H2 TIP3 8138 88.221 71.578 4.342 1.00 0.00 WT3 H ATOM 46375 OH2 TIP3 8142 67.534 45.166 -0.536 1.00 0.00 WT3 O ATOM 46376 H1 TIP3 8142 67.625 44.491 0.137 1.00 0.00 WT3 H ATOM 46377 H2 TIP3 8142 66.731 45.632 -0.302 1.00 0.00 WT3 H ATOM 46378 OH2 TIP3 8143 82.871 88.425 43.247 1.00 0.00 WT3 O ATOM 46379 H1 TIP3 8143 82.110 88.953 43.004 1.00 0.00 WT3 H ATOM 46380 H2 TIP3 8143 83.079 87.926 42.456 1.00 0.00 WT3 H ATOM 46381 OH2 TIP3 8146 74.203 56.834 -2.165 1.00 0.00 WT3 O ATOM 46382 H1 TIP3 8146 73.792 57.502 -2.714 1.00 0.00 WT3 H ATOM 46383 H2 TIP3 8146 74.341 57.267 -1.322 1.00 0.00 WT3 H ATOM 46384 OH2 TIP3 8147 21.093 21.241 65.779 1.00 0.00 WT3 O ATOM 46385 H1 TIP3 8147 21.378 21.793 66.507 1.00 0.00 WT3 H ATOM 46386 H2 TIP3 8147 20.163 21.440 65.677 1.00 0.00 WT3 H ATOM 46387 OH2 TIP3 8150 90.533 33.435 9.721 1.00 0.00 WT3 O ATOM 46388 H1 TIP3 8150 90.441 33.686 10.640 1.00 0.00 WT3 H ATOM 46389 H2 TIP3 8150 90.577 32.479 9.737 1.00 0.00 WT3 H ATOM 46390 OH2 TIP3 8154 45.769 87.690 22.486 1.00 0.00 WT3 O ATOM 46391 H1 TIP3 8154 45.205 88.450 22.342 1.00 0.00 WT3 H ATOM 46392 H2 TIP3 8154 45.752 87.217 21.654 1.00 0.00 WT3 H ATOM 46393 OH2 TIP3 8155 30.264 58.490 9.044 1.00 0.00 WT3 O ATOM 46394 H1 TIP3 8155 30.202 59.145 9.739 1.00 0.00 WT3 H ATOM 46395 H2 TIP3 8155 30.818 57.801 9.411 1.00 0.00 WT3 H ATOM 46396 OH2 TIP3 8158 83.635 3.055 60.132 1.00 0.00 WT3 O ATOM 46397 H1 TIP3 8158 83.806 2.335 60.740 1.00 0.00 WT3 H ATOM 46398 H2 TIP3 8158 84.449 3.148 59.636 1.00 0.00 WT3 H ATOM 46399 OH2 TIP3 8159 59.552 79.423 -2.660 1.00 0.00 WT3 O ATOM 46400 H1 TIP3 8159 59.088 78.615 -2.438 1.00 0.00 WT3 H ATOM 46401 H2 TIP3 8159 60.110 79.596 -1.902 1.00 0.00 WT3 H ATOM 46402 OH2 TIP3 8170 33.777 68.482 34.989 1.00 0.00 WT3 O ATOM 46403 H1 TIP3 8170 34.339 67.711 35.077 1.00 0.00 WT3 H ATOM 46404 H2 TIP3 8170 33.963 68.815 34.111 1.00 0.00 WT3 H ATOM 46405 OH2 TIP3 8174 87.124 37.703 -13.611 1.00 0.00 WT3 O ATOM 46406 H1 TIP3 8174 86.474 37.687 -14.314 1.00 0.00 WT3 H ATOM 46407 H2 TIP3 8174 87.107 38.604 -13.289 1.00 0.00 WT3 H ATOM 46408 OH2 TIP3 8178 84.028 39.992 36.894 1.00 0.00 WT3 O ATOM 46409 H1 TIP3 8178 83.499 40.385 37.588 1.00 0.00 WT3 H ATOM 46410 H2 TIP3 8178 84.786 40.572 36.812 1.00 0.00 WT3 H ATOM 46411 OH2 TIP3 8180 49.215 87.836 6.201 1.00 0.00 WT3 O ATOM 46412 H1 TIP3 8180 48.315 87.730 5.892 1.00 0.00 WT3 H ATOM 46413 H2 TIP3 8180 49.227 87.407 7.057 1.00 0.00 WT3 H ATOM 46414 OH2 TIP3 8183 86.101 57.686 36.098 1.00 0.00 WT3 O ATOM 46415 H1 TIP3 8183 85.780 57.287 36.907 1.00 0.00 WT3 H ATOM 46416 H2 TIP3 8183 85.448 57.447 35.439 1.00 0.00 WT3 H ATOM 46417 OH2 TIP3 8185 23.038 81.788 19.090 1.00 0.00 WT3 O ATOM 46418 H1 TIP3 8185 23.194 82.491 19.721 1.00 0.00 WT3 H ATOM 46419 H2 TIP3 8185 22.169 81.455 19.313 1.00 0.00 WT3 H ATOM 46420 OH2 TIP3 8201 31.225 22.434 34.453 1.00 0.00 WT3 O ATOM 46421 H1 TIP3 8201 31.584 22.463 33.566 1.00 0.00 WT3 H ATOM 46422 H2 TIP3 8201 30.281 22.529 34.333 1.00 0.00 WT3 H ATOM 46423 OH2 TIP3 8202 50.220 79.546 -19.655 1.00 0.00 WT3 O ATOM 46424 H1 TIP3 8202 49.727 80.339 -19.447 1.00 0.00 WT3 H ATOM 46425 H2 TIP3 8202 50.930 79.528 -19.013 1.00 0.00 WT3 H ATOM 46426 OH2 TIP3 8206 50.223 80.310 28.890 1.00 0.00 WT3 O ATOM 46427 H1 TIP3 8206 50.548 80.608 28.041 1.00 0.00 WT3 H ATOM 46428 H2 TIP3 8206 50.485 79.391 28.939 1.00 0.00 WT3 H ATOM 46429 OH2 TIP3 8219 25.751 29.076 41.304 1.00 0.00 WT3 O ATOM 46430 H1 TIP3 8219 25.157 29.466 41.945 1.00 0.00 WT3 H ATOM 46431 H2 TIP3 8219 25.241 29.041 40.495 1.00 0.00 WT3 H ATOM 46432 OH2 TIP3 8228 85.226 54.023 0.702 1.00 0.00 WT3 O ATOM 46433 H1 TIP3 8228 84.579 54.357 1.324 1.00 0.00 WT3 H ATOM 46434 H2 TIP3 8228 85.780 53.440 1.222 1.00 0.00 WT3 H ATOM 46435 OH2 TIP3 8267 25.927 67.901 -3.135 1.00 0.00 WT3 O ATOM 46436 H1 TIP3 8267 25.124 67.654 -3.594 1.00 0.00 WT3 H ATOM 46437 H2 TIP3 8267 25.993 68.848 -3.261 1.00 0.00 WT3 H ATOM 46438 OH2 TIP3 8270 31.018 72.520 -10.565 1.00 0.00 WT3 O ATOM 46439 H1 TIP3 8270 30.628 71.733 -10.186 1.00 0.00 WT3 H ATOM 46440 H2 TIP3 8270 31.868 72.231 -10.898 1.00 0.00 WT3 H ATOM 46441 OH2 TIP3 8290 90.259 41.193 39.256 1.00 0.00 WT3 O ATOM 46442 H1 TIP3 8290 89.447 40.866 39.645 1.00 0.00 WT3 H ATOM 46443 H2 TIP3 8290 90.248 40.858 38.360 1.00 0.00 WT3 H ATOM 46444 OH2 TIP3 8304 64.986 84.921 -10.428 1.00 0.00 WT3 O ATOM 46445 H1 TIP3 8304 64.844 84.058 -10.039 1.00 0.00 WT3 H ATOM 46446 H2 TIP3 8304 65.784 85.244 -10.010 1.00 0.00 WT3 H ATOM 46447 OH2 TIP3 8309 66.683 65.659 41.001 1.00 0.00 WT3 O ATOM 46448 H1 TIP3 8309 66.212 65.185 41.687 1.00 0.00 WT3 H ATOM 46449 H2 TIP3 8309 66.111 65.604 40.235 1.00 0.00 WT3 H ATOM 46450 OH2 TIP3 8319 49.632 81.349 44.015 1.00 0.00 WT3 O ATOM 46451 H1 TIP3 8319 49.973 80.736 44.667 1.00 0.00 WT3 H ATOM 46452 H2 TIP3 8319 49.916 80.989 43.175 1.00 0.00 WT3 H ATOM 46453 OH2 TIP3 8322 28.389 56.584 22.856 1.00 0.00 WT3 O ATOM 46454 H1 TIP3 8322 29.252 56.945 22.652 1.00 0.00 WT3 H ATOM 46455 H2 TIP3 8322 27.772 57.243 22.538 1.00 0.00 WT3 H ATOM 46456 OH2 TIP3 8324 68.513 91.053 14.220 1.00 0.00 WT3 O ATOM 46457 H1 TIP3 8324 68.428 90.433 14.945 1.00 0.00 WT3 H ATOM 46458 H2 TIP3 8324 69.300 90.770 13.754 1.00 0.00 WT3 H ATOM 46459 OH2 TIP3 8327 66.173 8.704 58.580 1.00 0.00 WT3 O ATOM 46460 H1 TIP3 8327 66.429 9.237 59.333 1.00 0.00 WT3 H ATOM 46461 H2 TIP3 8327 65.341 9.079 58.292 1.00 0.00 WT3 H ATOM 46462 OH2 TIP3 8339 65.448 21.940 52.398 1.00 0.00 WT3 O ATOM 46463 H1 TIP3 8339 65.541 22.614 51.725 1.00 0.00 WT3 H ATOM 46464 H2 TIP3 8339 66.124 21.296 52.188 1.00 0.00 WT3 H ATOM 46465 OH2 TIP3 8345 24.114 75.265 9.470 1.00 0.00 WT3 O ATOM 46466 H1 TIP3 8345 23.835 75.074 10.366 1.00 0.00 WT3 H ATOM 46467 H2 TIP3 8345 25.041 75.489 9.550 1.00 0.00 WT3 H ATOM 46468 OH2 TIP3 8348 86.321 70.733 21.676 1.00 0.00 WT3 O ATOM 46469 H1 TIP3 8348 85.984 69.915 21.312 1.00 0.00 WT3 H ATOM 46470 H2 TIP3 8348 86.502 71.280 20.911 1.00 0.00 WT3 H ATOM 46471 OH2 TIP3 8349 37.700 54.003 14.771 1.00 0.00 WT3 O ATOM 46472 H1 TIP3 8349 38.366 54.548 15.190 1.00 0.00 WT3 H ATOM 46473 H2 TIP3 8349 37.264 53.556 15.497 1.00 0.00 WT3 H ATOM 46474 OH2 TIP3 8354 27.515 66.156 8.560 1.00 0.00 WT3 O ATOM 46475 H1 TIP3 8354 27.071 66.959 8.287 1.00 0.00 WT3 H ATOM 46476 H2 TIP3 8354 28.192 66.451 9.169 1.00 0.00 WT3 H ATOM 46477 OH2 TIP3 8355 83.197 77.557 64.910 1.00 0.00 WT3 O ATOM 46478 H1 TIP3 8355 82.772 77.563 65.768 1.00 0.00 WT3 H ATOM 46479 H2 TIP3 8355 84.134 77.587 65.106 1.00 0.00 WT3 H ATOM 46480 OH2 TIP3 8359 52.064 38.891 30.214 1.00 0.00 WT3 O ATOM 46481 H1 TIP3 8359 52.432 38.412 29.471 1.00 0.00 WT3 H ATOM 46482 H2 TIP3 8359 51.294 39.332 29.857 1.00 0.00 WT3 H ATOM 46483 OH2 TIP3 8360 64.747 74.253 60.680 1.00 0.00 WT3 O ATOM 46484 H1 TIP3 8360 64.303 75.102 60.671 1.00 0.00 WT3 H ATOM 46485 H2 TIP3 8360 64.983 74.096 59.766 1.00 0.00 WT3 H ATOM 46486 OH2 TIP3 8364 35.603 58.611 -9.695 1.00 0.00 WT3 O ATOM 46487 H1 TIP3 8364 36.217 57.907 -9.487 1.00 0.00 WT3 H ATOM 46488 H2 TIP3 8364 34.740 58.240 -9.513 1.00 0.00 WT3 H ATOM 46489 OH2 TIP3 8365 87.982 76.553 16.771 1.00 0.00 WT3 O ATOM 46490 H1 TIP3 8365 88.693 76.239 17.330 1.00 0.00 WT3 H ATOM 46491 H2 TIP3 8365 87.229 76.014 17.015 1.00 0.00 WT3 H ATOM 46492 OH2 TIP3 8369 32.271 44.123 54.120 1.00 0.00 WT3 O ATOM 46493 H1 TIP3 8369 31.692 43.793 54.807 1.00 0.00 WT3 H ATOM 46494 H2 TIP3 8369 31.784 44.844 53.721 1.00 0.00 WT3 H ATOM 46495 OH2 TIP3 8370 71.742 6.030 14.558 1.00 0.00 WT3 O ATOM 46496 H1 TIP3 8370 71.910 6.509 13.747 1.00 0.00 WT3 H ATOM 46497 H2 TIP3 8370 72.265 5.232 14.478 1.00 0.00 WT3 H ATOM 46498 OH2 TIP3 8372 26.138 19.974 46.800 1.00 0.00 WT3 O ATOM 46499 H1 TIP3 8372 25.677 20.470 46.124 1.00 0.00 WT3 H ATOM 46500 H2 TIP3 8372 26.347 19.138 46.385 1.00 0.00 WT3 H ATOM 46501 OH2 TIP3 8375 25.779 78.449 61.005 1.00 0.00 WT3 O ATOM 46502 H1 TIP3 8375 25.901 77.690 60.435 1.00 0.00 WT3 H ATOM 46503 H2 TIP3 8375 25.558 79.164 60.409 1.00 0.00 WT3 H ATOM 46504 OH2 TIP3 8376 79.115 69.189 14.413 1.00 0.00 WT3 O ATOM 46505 H1 TIP3 8376 79.058 68.585 15.153 1.00 0.00 WT3 H ATOM 46506 H2 TIP3 8376 78.672 68.733 13.697 1.00 0.00 WT3 H ATOM 46507 OH2 TIP3 8377 63.867 16.743 54.367 1.00 0.00 WT3 O ATOM 46508 H1 TIP3 8377 64.203 15.888 54.637 1.00 0.00 WT3 H ATOM 46509 H2 TIP3 8377 63.778 16.677 53.416 1.00 0.00 WT3 H ATOM 46510 OH2 TIP3 8378 69.896 43.456 -10.109 1.00 0.00 WT3 O ATOM 46511 H1 TIP3 8378 69.455 44.190 -9.680 1.00 0.00 WT3 H ATOM 46512 H2 TIP3 8378 69.185 42.929 -10.473 1.00 0.00 WT3 H ATOM 46513 OH2 TIP3 8381 67.517 68.625 14.726 1.00 0.00 WT3 O ATOM 46514 H1 TIP3 8381 68.012 67.819 14.878 1.00 0.00 WT3 H ATOM 46515 H2 TIP3 8381 68.061 69.130 14.123 1.00 0.00 WT3 H ATOM 46516 OH2 TIP3 8382 29.895 77.548 53.714 1.00 0.00 WT3 O ATOM 46517 H1 TIP3 8382 30.776 77.178 53.673 1.00 0.00 WT3 H ATOM 46518 H2 TIP3 8382 29.924 78.304 53.127 1.00 0.00 WT3 H ATOM 46519 OH2 TIP3 8384 37.153 52.660 17.323 1.00 0.00 WT3 O ATOM 46520 H1 TIP3 8384 38.098 52.672 17.471 1.00 0.00 WT3 H ATOM 46521 H2 TIP3 8384 36.849 53.510 17.640 1.00 0.00 WT3 H ATOM 46522 OH2 TIP3 8386 30.635 9.434 -11.997 1.00 0.00 WT3 O ATOM 46523 H1 TIP3 8386 29.915 9.314 -12.616 1.00 0.00 WT3 H ATOM 46524 H2 TIP3 8386 31.151 10.152 -12.364 1.00 0.00 WT3 H ATOM 46525 OH2 TIP3 8388 51.759 89.160 -1.160 1.00 0.00 WT3 O ATOM 46526 H1 TIP3 8388 51.583 88.977 -2.083 1.00 0.00 WT3 H ATOM 46527 H2 TIP3 8388 52.154 88.355 -0.826 1.00 0.00 WT3 H ATOM 46528 OH2 TIP3 8389 89.514 66.051 42.143 1.00 0.00 WT3 O ATOM 46529 H1 TIP3 8389 90.177 66.156 41.460 1.00 0.00 WT3 H ATOM 46530 H2 TIP3 8389 88.841 65.501 41.742 1.00 0.00 WT3 H ATOM 46531 OH2 TIP3 8391 59.189 65.993 49.438 1.00 0.00 WT3 O ATOM 46532 H1 TIP3 8391 59.680 65.849 48.630 1.00 0.00 WT3 H ATOM 46533 H2 TIP3 8391 58.452 66.545 49.176 1.00 0.00 WT3 H ATOM 46534 OH2 TIP3 8392 71.983 80.401 57.861 1.00 0.00 WT3 O ATOM 46535 H1 TIP3 8392 71.136 80.754 58.133 1.00 0.00 WT3 H ATOM 46536 H2 TIP3 8392 72.624 81.018 58.212 1.00 0.00 WT3 H ATOM 46537 OH2 TIP3 8393 64.574 45.807 -0.119 1.00 0.00 WT3 O ATOM 46538 H1 TIP3 8393 65.121 46.437 0.350 1.00 0.00 WT3 H ATOM 46539 H2 TIP3 8393 63.739 46.259 -0.243 1.00 0.00 WT3 H ATOM 46540 OH2 TIP3 8394 85.609 52.880 15.644 1.00 0.00 WT3 O ATOM 46541 H1 TIP3 8394 86.447 53.024 15.204 1.00 0.00 WT3 H ATOM 46542 H2 TIP3 8394 84.962 52.893 14.939 1.00 0.00 WT3 H ATOM 46543 OH2 TIP3 8396 70.140 72.368 20.846 1.00 0.00 WT3 O ATOM 46544 H1 TIP3 8396 69.579 71.783 20.337 1.00 0.00 WT3 H ATOM 46545 H2 TIP3 8396 70.911 71.839 21.054 1.00 0.00 WT3 H ATOM 46546 OH2 TIP3 8397 56.157 72.750 51.747 1.00 0.00 WT3 O ATOM 46547 H1 TIP3 8397 55.597 71.974 51.763 1.00 0.00 WT3 H ATOM 46548 H2 TIP3 8397 55.696 73.390 52.288 1.00 0.00 WT3 H ATOM 46549 OH2 TIP3 8399 82.838 46.531 58.013 1.00 0.00 WT3 O ATOM 46550 H1 TIP3 8399 82.601 46.401 58.931 1.00 0.00 WT3 H ATOM 46551 H2 TIP3 8399 83.679 46.987 58.044 1.00 0.00 WT3 H ATOM 46552 OH2 TIP3 8401 36.599 35.930 -13.435 1.00 0.00 WT3 O ATOM 46553 H1 TIP3 8401 37.295 36.563 -13.258 1.00 0.00 WT3 H ATOM 46554 H2 TIP3 8401 36.696 35.721 -14.364 1.00 0.00 WT3 H ATOM 46555 OH2 TIP3 8402 84.890 55.930 -3.890 1.00 0.00 WT3 O ATOM 46556 H1 TIP3 8402 85.023 55.793 -2.952 1.00 0.00 WT3 H ATOM 46557 H2 TIP3 8402 84.864 55.048 -4.260 1.00 0.00 WT3 H ATOM 46558 OH2 TIP3 8403 75.043 55.835 34.501 1.00 0.00 WT3 O ATOM 46559 H1 TIP3 8403 75.806 55.529 34.011 1.00 0.00 WT3 H ATOM 46560 H2 TIP3 8403 74.294 55.583 33.960 1.00 0.00 WT3 H ATOM 46561 OH2 TIP3 8404 72.021 83.408 61.701 1.00 0.00 WT3 O ATOM 46562 H1 TIP3 8404 71.585 82.907 62.390 1.00 0.00 WT3 H ATOM 46563 H2 TIP3 8404 72.237 84.244 62.113 1.00 0.00 WT3 H ATOM 46564 OH2 TIP3 8406 63.095 74.883 2.747 1.00 0.00 WT3 O ATOM 46565 H1 TIP3 8406 62.858 74.067 3.188 1.00 0.00 WT3 H ATOM 46566 H2 TIP3 8406 62.936 74.710 1.819 1.00 0.00 WT3 H ATOM 46567 OH2 TIP3 8408 29.707 40.705 -6.147 1.00 0.00 WT3 O ATOM 46568 H1 TIP3 8408 30.255 41.488 -6.210 1.00 0.00 WT3 H ATOM 46569 H2 TIP3 8408 29.162 40.856 -5.375 1.00 0.00 WT3 H ATOM 46570 OH2 TIP3 8409 42.263 96.098 21.250 1.00 0.00 WT3 O ATOM 46571 H1 TIP3 8409 41.935 95.221 21.053 1.00 0.00 WT3 H ATOM 46572 H2 TIP3 8409 43.068 96.174 20.737 1.00 0.00 WT3 H ATOM 46573 OH2 TIP3 8410 30.670 50.054 22.273 1.00 0.00 WT3 O ATOM 46574 H1 TIP3 8410 31.514 50.405 21.987 1.00 0.00 WT3 H ATOM 46575 H2 TIP3 8410 30.607 49.201 21.844 1.00 0.00 WT3 H ATOM 46576 OH2 TIP3 8411 37.702 40.100 23.497 1.00 0.00 WT3 O ATOM 46577 H1 TIP3 8411 38.292 39.464 23.901 1.00 0.00 WT3 H ATOM 46578 H2 TIP3 8411 38.172 40.932 23.552 1.00 0.00 WT3 H ATOM 46579 OH2 TIP3 8412 63.340 22.869 59.296 1.00 0.00 WT3 O ATOM 46580 H1 TIP3 8412 62.535 23.244 59.654 1.00 0.00 WT3 H ATOM 46581 H2 TIP3 8412 63.045 22.122 58.774 1.00 0.00 WT3 H ATOM 46582 OH2 TIP3 8413 48.482 53.680 50.488 1.00 0.00 WT3 O ATOM 46583 H1 TIP3 8413 49.230 54.256 50.644 1.00 0.00 WT3 H ATOM 46584 H2 TIP3 8413 48.645 53.303 49.623 1.00 0.00 WT3 H ATOM 46585 OH2 TIP3 8414 37.726 84.981 33.793 1.00 0.00 WT3 O ATOM 46586 H1 TIP3 8414 38.096 85.310 34.613 1.00 0.00 WT3 H ATOM 46587 H2 TIP3 8414 36.780 85.000 33.933 1.00 0.00 WT3 H ATOM 46588 OH2 TIP3 8415 35.147 32.475 19.805 1.00 0.00 WT3 O ATOM 46589 H1 TIP3 8415 34.403 32.405 20.403 1.00 0.00 WT3 H ATOM 46590 H2 TIP3 8415 34.924 33.207 19.230 1.00 0.00 WT3 H ATOM 46591 OH2 TIP3 8416 84.316 69.905 59.321 1.00 0.00 WT3 O ATOM 46592 H1 TIP3 8416 84.262 70.793 59.674 1.00 0.00 WT3 H ATOM 46593 H2 TIP3 8416 83.765 69.924 58.539 1.00 0.00 WT3 H ATOM 46594 OH2 TIP3 8419 34.833 22.767 23.497 1.00 0.00 WT3 O ATOM 46595 H1 TIP3 8419 35.503 22.088 23.418 1.00 0.00 WT3 H ATOM 46596 H2 TIP3 8419 34.541 22.711 24.406 1.00 0.00 WT3 H ATOM 46597 OH2 TIP3 8420 38.643 90.026 -12.094 1.00 0.00 WT3 O ATOM 46598 H1 TIP3 8420 38.310 90.665 -12.724 1.00 0.00 WT3 H ATOM 46599 H2 TIP3 8420 39.254 90.521 -11.549 1.00 0.00 WT3 H ATOM 46600 OH2 TIP3 8421 90.120 44.824 12.836 1.00 0.00 WT3 O ATOM 46601 H1 TIP3 8421 90.417 44.565 13.708 1.00 0.00 WT3 H ATOM 46602 H2 TIP3 8421 89.180 44.644 12.839 1.00 0.00 WT3 H ATOM 46603 OH2 TIP3 8422 81.541 50.053 25.505 1.00 0.00 WT3 O ATOM 46604 H1 TIP3 8422 80.959 49.447 25.965 1.00 0.00 WT3 H ATOM 46605 H2 TIP3 8422 81.651 50.786 26.111 1.00 0.00 WT3 H ATOM 46606 OH2 TIP3 8423 86.742 65.328 45.233 1.00 0.00 WT3 O ATOM 46607 H1 TIP3 8423 86.206 64.536 45.278 1.00 0.00 WT3 H ATOM 46608 H2 TIP3 8423 86.108 66.042 45.161 1.00 0.00 WT3 H ATOM 46609 OH2 TIP3 8424 53.641 47.562 58.854 1.00 0.00 WT3 O ATOM 46610 H1 TIP3 8424 54.247 48.108 59.353 1.00 0.00 WT3 H ATOM 46611 H2 TIP3 8424 53.251 48.158 58.214 1.00 0.00 WT3 H ATOM 46612 OH2 TIP3 8425 49.221 48.522 58.715 1.00 0.00 WT3 O ATOM 46613 H1 TIP3 8425 48.520 49.139 58.926 1.00 0.00 WT3 H ATOM 46614 H2 TIP3 8425 49.810 49.014 58.143 1.00 0.00 WT3 H ATOM 46615 OH2 TIP3 8426 80.487 33.890 -8.309 1.00 0.00 WT3 O ATOM 46616 H1 TIP3 8426 79.601 33.532 -8.370 1.00 0.00 WT3 H ATOM 46617 H2 TIP3 8426 81.057 33.166 -8.566 1.00 0.00 WT3 H ATOM 46618 OH2 TIP3 8427 71.118 2.167 -15.456 1.00 0.00 WT3 O ATOM 46619 H1 TIP3 8427 71.009 2.844 -14.788 1.00 0.00 WT3 H ATOM 46620 H2 TIP3 8427 70.960 1.345 -14.992 1.00 0.00 WT3 H ATOM 46621 OH2 TIP3 8428 70.411 24.992 -0.074 1.00 0.00 WT3 O ATOM 46622 H1 TIP3 8428 71.254 24.967 -0.527 1.00 0.00 WT3 H ATOM 46623 H2 TIP3 8428 69.785 24.653 -0.714 1.00 0.00 WT3 H ATOM 46624 OH2 TIP3 8429 82.718 52.344 -3.004 1.00 0.00 WT3 O ATOM 46625 H1 TIP3 8429 82.629 51.536 -2.499 1.00 0.00 WT3 H ATOM 46626 H2 TIP3 8429 82.990 53.000 -2.363 1.00 0.00 WT3 H ATOM 46627 OH2 TIP3 8430 42.761 8.934 39.913 1.00 0.00 WT3 O ATOM 46628 H1 TIP3 8430 43.148 8.421 39.203 1.00 0.00 WT3 H ATOM 46629 H2 TIP3 8430 42.407 9.712 39.481 1.00 0.00 WT3 H ATOM 46630 OH2 TIP3 8431 55.860 81.944 -9.498 1.00 0.00 WT3 O ATOM 46631 H1 TIP3 8431 55.767 81.207 -8.894 1.00 0.00 WT3 H ATOM 46632 H2 TIP3 8431 56.424 81.611 -10.196 1.00 0.00 WT3 H ATOM 46633 OH2 TIP3 8432 74.282 77.333 5.795 1.00 0.00 WT3 O ATOM 46634 H1 TIP3 8432 74.234 77.059 6.711 1.00 0.00 WT3 H ATOM 46635 H2 TIP3 8432 75.219 77.361 5.602 1.00 0.00 WT3 H ATOM 46636 OH2 TIP3 8433 55.110 5.503 50.036 1.00 0.00 WT3 O ATOM 46637 H1 TIP3 8433 55.599 6.055 50.646 1.00 0.00 WT3 H ATOM 46638 H2 TIP3 8433 54.998 4.673 50.500 1.00 0.00 WT3 H ATOM 46639 OH2 TIP3 8434 86.151 34.731 56.092 1.00 0.00 WT3 O ATOM 46640 H1 TIP3 8434 86.365 33.832 56.341 1.00 0.00 WT3 H ATOM 46641 H2 TIP3 8434 85.240 34.845 56.361 1.00 0.00 WT3 H ATOM 46642 OH2 TIP3 8435 70.144 84.869 55.809 1.00 0.00 WT3 O ATOM 46643 H1 TIP3 8435 69.646 84.134 55.450 1.00 0.00 WT3 H ATOM 46644 H2 TIP3 8435 70.677 85.178 55.077 1.00 0.00 WT3 H ATOM 46645 OH2 TIP3 8437 28.486 61.357 50.866 1.00 0.00 WT3 O ATOM 46646 H1 TIP3 8437 28.837 61.813 50.101 1.00 0.00 WT3 H ATOM 46647 H2 TIP3 8437 27.901 60.693 50.502 1.00 0.00 WT3 H ATOM 46648 OH2 TIP3 8438 20.927 8.324 37.184 1.00 0.00 WT3 O ATOM 46649 H1 TIP3 8438 20.078 8.036 37.518 1.00 0.00 WT3 H ATOM 46650 H2 TIP3 8438 21.454 7.525 37.147 1.00 0.00 WT3 H ATOM 46651 OH2 TIP3 8439 73.573 95.158 48.822 1.00 0.00 WT3 O ATOM 46652 H1 TIP3 8439 72.926 94.523 49.130 1.00 0.00 WT3 H ATOM 46653 H2 TIP3 8439 74.118 95.336 49.588 1.00 0.00 WT3 H ATOM 46654 OH2 TIP3 8441 61.509 64.666 61.208 1.00 0.00 WT3 O ATOM 46655 H1 TIP3 8441 62.457 64.786 61.269 1.00 0.00 WT3 H ATOM 46656 H2 TIP3 8441 61.283 64.980 60.333 1.00 0.00 WT3 H ATOM 46657 OH2 TIP3 8442 82.313 37.523 -12.524 1.00 0.00 WT3 O ATOM 46658 H1 TIP3 8442 82.694 38.125 -11.885 1.00 0.00 WT3 H ATOM 46659 H2 TIP3 8442 82.299 36.676 -12.077 1.00 0.00 WT3 H ATOM 46660 OH2 TIP3 8443 73.010 77.761 -6.330 1.00 0.00 WT3 O ATOM 46661 H1 TIP3 8443 73.260 76.961 -6.793 1.00 0.00 WT3 H ATOM 46662 H2 TIP3 8443 73.737 77.928 -5.730 1.00 0.00 WT3 H ATOM 46663 OH2 TIP3 8444 32.785 1.091 13.555 1.00 0.00 WT3 O ATOM 46664 H1 TIP3 8444 32.647 1.383 12.654 1.00 0.00 WT3 H ATOM 46665 H2 TIP3 8444 33.651 1.425 13.786 1.00 0.00 WT3 H ATOM 46666 OH2 TIP3 8445 38.730 69.754 4.884 1.00 0.00 WT3 O ATOM 46667 H1 TIP3 8445 38.482 69.553 5.786 1.00 0.00 WT3 H ATOM 46668 H2 TIP3 8445 38.125 69.241 4.349 1.00 0.00 WT3 H ATOM 46669 OH2 TIP3 8446 55.293 67.372 18.025 1.00 0.00 WT3 O ATOM 46670 H1 TIP3 8446 55.851 66.935 17.382 1.00 0.00 WT3 H ATOM 46671 H2 TIP3 8446 54.438 67.433 17.599 1.00 0.00 WT3 H ATOM 46672 OH2 TIP3 8447 50.507 56.211 -13.850 1.00 0.00 WT3 O ATOM 46673 H1 TIP3 8447 50.704 56.927 -14.454 1.00 0.00 WT3 H ATOM 46674 H2 TIP3 8447 50.914 55.442 -14.247 1.00 0.00 WT3 H ATOM 46675 OH2 TIP3 8448 21.389 79.133 -18.259 1.00 0.00 WT3 O ATOM 46676 H1 TIP3 8448 22.116 79.754 -18.301 1.00 0.00 WT3 H ATOM 46677 H2 TIP3 8448 20.652 79.600 -18.654 1.00 0.00 WT3 H ATOM 46678 OH2 TIP3 8450 25.641 64.606 6.698 1.00 0.00 WT3 O ATOM 46679 H1 TIP3 8450 24.693 64.503 6.772 1.00 0.00 WT3 H ATOM 46680 H2 TIP3 8450 25.795 65.537 6.858 1.00 0.00 WT3 H ATOM 46681 OH2 TIP3 8451 47.639 39.259 25.767 1.00 0.00 WT3 O ATOM 46682 H1 TIP3 8451 47.121 39.139 24.971 1.00 0.00 WT3 H ATOM 46683 H2 TIP3 8451 48.193 38.479 25.813 1.00 0.00 WT3 H ATOM 46684 OH2 TIP3 8453 77.270 25.956 -13.657 1.00 0.00 WT3 O ATOM 46685 H1 TIP3 8453 77.046 26.886 -13.650 1.00 0.00 WT3 H ATOM 46686 H2 TIP3 8453 76.542 25.537 -14.117 1.00 0.00 WT3 H ATOM 46687 OH2 TIP3 8455 32.414 80.170 2.640 1.00 0.00 WT3 O ATOM 46688 H1 TIP3 8455 31.963 79.363 2.392 1.00 0.00 WT3 H ATOM 46689 H2 TIP3 8455 33.320 80.035 2.360 1.00 0.00 WT3 H ATOM 46690 OH2 TIP3 8456 66.647 54.706 -6.439 1.00 0.00 WT3 O ATOM 46691 H1 TIP3 8456 66.697 55.633 -6.203 1.00 0.00 WT3 H ATOM 46692 H2 TIP3 8456 67.297 54.600 -7.134 1.00 0.00 WT3 H ATOM 46693 OH2 TIP3 8457 52.084 83.809 -13.124 1.00 0.00 WT3 O ATOM 46694 H1 TIP3 8457 51.509 83.920 -12.367 1.00 0.00 WT3 H ATOM 46695 H2 TIP3 8457 51.615 83.201 -13.695 1.00 0.00 WT3 H ATOM 46696 OH2 TIP3 8458 20.250 86.559 25.443 1.00 0.00 WT3 O ATOM 46697 H1 TIP3 8458 20.813 86.924 26.125 1.00 0.00 WT3 H ATOM 46698 H2 TIP3 8458 20.751 86.667 24.635 1.00 0.00 WT3 H ATOM 46699 OH2 TIP3 8459 71.849 73.816 25.077 1.00 0.00 WT3 O ATOM 46700 H1 TIP3 8459 72.050 73.724 26.008 1.00 0.00 WT3 H ATOM 46701 H2 TIP3 8459 71.265 73.084 24.883 1.00 0.00 WT3 H ATOM 46702 OH2 TIP3 8461 25.208 49.445 66.799 1.00 0.00 WT3 O ATOM 46703 H1 TIP3 8461 25.620 48.756 67.321 1.00 0.00 WT3 H ATOM 46704 H2 TIP3 8461 25.920 50.053 66.600 1.00 0.00 WT3 H ATOM 46705 OH2 TIP3 8462 46.988 30.899 52.916 1.00 0.00 WT3 O ATOM 46706 H1 TIP3 8462 47.663 31.046 53.578 1.00 0.00 WT3 H ATOM 46707 H2 TIP3 8462 47.012 31.685 52.370 1.00 0.00 WT3 H ATOM 46708 OH2 TIP3 8463 83.523 78.440 -8.611 1.00 0.00 WT3 O ATOM 46709 H1 TIP3 8463 83.718 77.871 -7.867 1.00 0.00 WT3 H ATOM 46710 H2 TIP3 8463 83.289 79.280 -8.217 1.00 0.00 WT3 H ATOM 46711 OH2 TIP3 8464 55.010 36.987 -13.631 1.00 0.00 WT3 O ATOM 46712 H1 TIP3 8464 55.272 36.708 -12.753 1.00 0.00 WT3 H ATOM 46713 H2 TIP3 8464 54.068 36.818 -13.664 1.00 0.00 WT3 H ATOM 46714 OH2 TIP3 8465 84.647 45.191 -12.535 1.00 0.00 WT3 O ATOM 46715 H1 TIP3 8465 83.972 44.952 -13.170 1.00 0.00 WT3 H ATOM 46716 H2 TIP3 8465 85.467 45.139 -13.025 1.00 0.00 WT3 H ATOM 46717 OH2 TIP3 8466 63.908 38.465 5.308 1.00 0.00 WT3 O ATOM 46718 H1 TIP3 8466 63.522 37.828 5.908 1.00 0.00 WT3 H ATOM 46719 H2 TIP3 8466 63.707 39.316 5.698 1.00 0.00 WT3 H ATOM 46720 OH2 TIP3 8467 43.838 60.288 45.657 1.00 0.00 WT3 O ATOM 46721 H1 TIP3 8467 43.524 60.225 44.755 1.00 0.00 WT3 H ATOM 46722 H2 TIP3 8467 44.734 60.614 45.577 1.00 0.00 WT3 H ATOM 46723 OH2 TIP3 8468 25.829 82.490 48.980 1.00 0.00 WT3 O ATOM 46724 H1 TIP3 8468 25.344 83.097 48.421 1.00 0.00 WT3 H ATOM 46725 H2 TIP3 8468 26.744 82.606 48.723 1.00 0.00 WT3 H ATOM 46726 OH2 TIP3 8469 64.620 59.079 37.688 1.00 0.00 WT3 O ATOM 46727 H1 TIP3 8469 63.992 59.726 37.366 1.00 0.00 WT3 H ATOM 46728 H2 TIP3 8469 64.198 58.235 37.530 1.00 0.00 WT3 H ATOM 46729 OH2 TIP3 8470 55.191 50.184 -8.240 1.00 0.00 WT3 O ATOM 46730 H1 TIP3 8470 54.466 49.722 -8.660 1.00 0.00 WT3 H ATOM 46731 H2 TIP3 8470 54.778 50.923 -7.793 1.00 0.00 WT3 H ATOM 46732 OH2 TIP3 8472 31.693 82.792 52.136 1.00 0.00 WT3 O ATOM 46733 H1 TIP3 8472 31.710 82.487 51.228 1.00 0.00 WT3 H ATOM 46734 H2 TIP3 8472 31.592 81.994 52.655 1.00 0.00 WT3 H ATOM 46735 OH2 TIP3 8473 70.467 34.457 9.947 1.00 0.00 WT3 O ATOM 46736 H1 TIP3 8473 70.029 34.660 10.774 1.00 0.00 WT3 H ATOM 46737 H2 TIP3 8473 70.011 34.992 9.297 1.00 0.00 WT3 H ATOM 46738 OH2 TIP3 8474 68.795 58.104 49.710 1.00 0.00 WT3 O ATOM 46739 H1 TIP3 8474 67.981 57.823 49.292 1.00 0.00 WT3 H ATOM 46740 H2 TIP3 8474 68.887 59.024 49.462 1.00 0.00 WT3 H ATOM 46741 OH2 TIP3 8475 24.193 52.547 14.682 1.00 0.00 WT3 O ATOM 46742 H1 TIP3 8475 24.299 52.438 13.737 1.00 0.00 WT3 H ATOM 46743 H2 TIP3 8475 24.775 51.890 15.066 1.00 0.00 WT3 H ATOM 46744 OH2 TIP3 8476 82.638 82.553 36.842 1.00 0.00 WT3 O ATOM 46745 H1 TIP3 8476 82.168 81.795 37.189 1.00 0.00 WT3 H ATOM 46746 H2 TIP3 8476 81.960 83.084 36.425 1.00 0.00 WT3 H ATOM 46747 OH2 TIP3 8477 25.201 85.921 12.398 1.00 0.00 WT3 O ATOM 46748 H1 TIP3 8477 25.434 85.007 12.236 1.00 0.00 WT3 H ATOM 46749 H2 TIP3 8477 26.041 86.373 12.474 1.00 0.00 WT3 H ATOM 46750 OH2 TIP3 8478 21.921 86.131 47.628 1.00 0.00 WT3 O ATOM 46751 H1 TIP3 8478 22.006 85.445 46.967 1.00 0.00 WT3 H ATOM 46752 H2 TIP3 8478 22.533 86.812 47.348 1.00 0.00 WT3 H ATOM 46753 OH2 TIP3 8479 21.567 48.525 41.290 1.00 0.00 WT3 O ATOM 46754 H1 TIP3 8479 21.018 48.862 40.582 1.00 0.00 WT3 H ATOM 46755 H2 TIP3 8479 21.166 48.868 42.089 1.00 0.00 WT3 H ATOM 46756 OH2 TIP3 8480 81.802 50.225 31.840 1.00 0.00 WT3 O ATOM 46757 H1 TIP3 8480 82.214 49.377 32.002 1.00 0.00 WT3 H ATOM 46758 H2 TIP3 8480 81.662 50.595 32.711 1.00 0.00 WT3 H ATOM 46759 OH2 TIP3 8481 73.231 25.041 51.983 1.00 0.00 WT3 O ATOM 46760 H1 TIP3 8481 73.209 25.993 51.885 1.00 0.00 WT3 H ATOM 46761 H2 TIP3 8481 72.365 24.815 52.324 1.00 0.00 WT3 H ATOM 46762 OH2 TIP3 8482 48.574 92.703 -17.339 1.00 0.00 WT3 O ATOM 46763 H1 TIP3 8482 49.440 92.599 -17.734 1.00 0.00 WT3 H ATOM 46764 H2 TIP3 8482 47.971 92.719 -18.082 1.00 0.00 WT3 H ATOM 46765 OH2 TIP3 8483 50.211 67.325 62.441 1.00 0.00 WT3 O ATOM 46766 H1 TIP3 8483 50.416 67.183 61.517 1.00 0.00 WT3 H ATOM 46767 H2 TIP3 8483 50.758 68.067 62.698 1.00 0.00 WT3 H ATOM 46768 OH2 TIP3 8484 52.113 79.465 62.722 1.00 0.00 WT3 O ATOM 46769 H1 TIP3 8484 51.195 79.309 62.502 1.00 0.00 WT3 H ATOM 46770 H2 TIP3 8484 52.108 80.290 63.206 1.00 0.00 WT3 H ATOM 46771 OH2 TIP3 8485 65.043 92.864 -16.880 1.00 0.00 WT3 O ATOM 46772 H1 TIP3 8485 65.637 92.804 -17.629 1.00 0.00 WT3 H ATOM 46773 H2 TIP3 8485 65.534 93.358 -16.223 1.00 0.00 WT3 H ATOM 46774 OH2 TIP3 8486 32.171 66.070 41.281 1.00 0.00 WT3 O ATOM 46775 H1 TIP3 8486 32.947 65.661 41.665 1.00 0.00 WT3 H ATOM 46776 H2 TIP3 8486 32.053 65.622 40.443 1.00 0.00 WT3 H ATOM 46777 OH2 TIP3 8487 79.297 65.726 65.270 1.00 0.00 WT3 O ATOM 46778 H1 TIP3 8487 78.480 65.459 64.849 1.00 0.00 WT3 H ATOM 46779 H2 TIP3 8487 79.910 65.016 65.078 1.00 0.00 WT3 H ATOM 46780 OH2 TIP3 8489 39.527 48.964 52.459 1.00 0.00 WT3 O ATOM 46781 H1 TIP3 8489 39.978 48.343 51.887 1.00 0.00 WT3 H ATOM 46782 H2 TIP3 8489 39.536 48.545 53.320 1.00 0.00 WT3 H ATOM 46783 OH2 TIP3 8490 54.882 10.041 47.121 1.00 0.00 WT3 O ATOM 46784 H1 TIP3 8490 53.970 9.897 47.372 1.00 0.00 WT3 H ATOM 46785 H2 TIP3 8490 55.324 10.265 47.940 1.00 0.00 WT3 H ATOM 46786 OH2 TIP3 8491 49.257 96.334 54.037 1.00 0.00 WT3 O ATOM 46787 H1 TIP3 8491 49.768 95.533 54.154 1.00 0.00 WT3 H ATOM 46788 H2 TIP3 8491 49.905 97.001 53.808 1.00 0.00 WT3 H ATOM 46789 OH2 TIP3 8492 75.171 15.293 -4.197 1.00 0.00 WT3 O ATOM 46790 H1 TIP3 8492 74.261 15.032 -4.051 1.00 0.00 WT3 H ATOM 46791 H2 TIP3 8492 75.475 14.717 -4.899 1.00 0.00 WT3 H ATOM 46792 OH2 TIP3 8494 71.230 94.163 -5.104 1.00 0.00 WT3 O ATOM 46793 H1 TIP3 8494 70.704 94.462 -4.363 1.00 0.00 WT3 H ATOM 46794 H2 TIP3 8494 70.591 93.977 -5.792 1.00 0.00 WT3 H ATOM 46795 OH2 TIP3 8495 72.610 40.452 54.664 1.00 0.00 WT3 O ATOM 46796 H1 TIP3 8495 72.484 39.628 55.135 1.00 0.00 WT3 H ATOM 46797 H2 TIP3 8495 71.791 40.930 54.794 1.00 0.00 WT3 H ATOM 46798 OH2 TIP3 8496 77.272 89.714 17.099 1.00 0.00 WT3 O ATOM 46799 H1 TIP3 8496 77.975 89.088 16.927 1.00 0.00 WT3 H ATOM 46800 H2 TIP3 8496 77.133 89.664 18.045 1.00 0.00 WT3 H ATOM 46801 OH2 TIP3 8497 58.009 72.014 40.051 1.00 0.00 WT3 O ATOM 46802 H1 TIP3 8497 57.991 71.824 39.113 1.00 0.00 WT3 H ATOM 46803 H2 TIP3 8497 57.097 72.204 40.274 1.00 0.00 WT3 H ATOM 46804 OH2 TIP3 8498 72.253 82.367 -0.923 1.00 0.00 WT3 O ATOM 46805 H1 TIP3 8498 71.863 83.141 -1.330 1.00 0.00 WT3 H ATOM 46806 H2 TIP3 8498 72.330 81.734 -1.637 1.00 0.00 WT3 H ATOM 46807 OH2 TIP3 8499 20.778 29.851 -12.414 1.00 0.00 WT3 O ATOM 46808 H1 TIP3 8499 19.980 29.936 -11.893 1.00 0.00 WT3 H ATOM 46809 H2 TIP3 8499 20.747 28.958 -12.756 1.00 0.00 WT3 H ATOM 46810 OH2 TIP3 8501 53.236 24.568 62.898 1.00 0.00 WT3 O ATOM 46811 H1 TIP3 8501 52.579 25.256 62.999 1.00 0.00 WT3 H ATOM 46812 H2 TIP3 8501 53.089 24.222 62.017 1.00 0.00 WT3 H ATOM 46813 OH2 TIP3 8502 29.024 82.018 -14.774 1.00 0.00 WT3 O ATOM 46814 H1 TIP3 8502 29.255 82.237 -15.677 1.00 0.00 WT3 H ATOM 46815 H2 TIP3 8502 29.127 82.839 -14.294 1.00 0.00 WT3 H ATOM 46816 OH2 TIP3 8503 62.160 51.381 39.794 1.00 0.00 WT3 O ATOM 46817 H1 TIP3 8503 61.997 51.475 38.855 1.00 0.00 WT3 H ATOM 46818 H2 TIP3 8503 61.437 51.851 40.211 1.00 0.00 WT3 H ATOM 46819 OH2 TIP3 8505 30.704 22.730 -17.646 1.00 0.00 WT3 O ATOM 46820 H1 TIP3 8505 30.981 23.642 -17.740 1.00 0.00 WT3 H ATOM 46821 H2 TIP3 8505 31.377 22.330 -17.096 1.00 0.00 WT3 H ATOM 46822 OH2 TIP3 8507 69.642 7.916 -1.450 1.00 0.00 WT3 O ATOM 46823 H1 TIP3 8507 70.485 7.888 -1.902 1.00 0.00 WT3 H ATOM 46824 H2 TIP3 8507 69.849 8.254 -0.578 1.00 0.00 WT3 H ATOM 46825 OH2 TIP3 8508 84.242 95.509 -16.095 1.00 0.00 WT3 O ATOM 46826 H1 TIP3 8508 84.891 95.144 -16.696 1.00 0.00 WT3 H ATOM 46827 H2 TIP3 8508 84.169 94.858 -15.396 1.00 0.00 WT3 H ATOM 46828 OH2 TIP3 8509 42.695 81.963 -9.554 1.00 0.00 WT3 O ATOM 46829 H1 TIP3 8509 43.092 81.615 -8.755 1.00 0.00 WT3 H ATOM 46830 H2 TIP3 8509 41.828 82.262 -9.280 1.00 0.00 WT3 H ATOM 46831 OH2 TIP3 8510 29.288 78.177 23.876 1.00 0.00 WT3 O ATOM 46832 H1 TIP3 8510 29.533 79.020 23.493 1.00 0.00 WT3 H ATOM 46833 H2 TIP3 8510 28.805 77.730 23.180 1.00 0.00 WT3 H ATOM 46834 OH2 TIP3 8512 35.375 7.531 -12.498 1.00 0.00 WT3 O ATOM 46835 H1 TIP3 8512 36.172 7.002 -12.476 1.00 0.00 WT3 H ATOM 46836 H2 TIP3 8512 35.325 7.852 -13.398 1.00 0.00 WT3 H ATOM 46837 OH2 TIP3 8513 52.999 73.193 -8.594 1.00 0.00 WT3 O ATOM 46838 H1 TIP3 8513 52.782 72.572 -7.897 1.00 0.00 WT3 H ATOM 46839 H2 TIP3 8513 52.317 73.862 -8.540 1.00 0.00 WT3 H ATOM 46840 OH2 TIP3 8514 20.797 60.416 7.100 1.00 0.00 WT3 O ATOM 46841 H1 TIP3 8514 21.132 59.848 7.793 1.00 0.00 WT3 H ATOM 46842 H2 TIP3 8514 21.487 60.419 6.437 1.00 0.00 WT3 H ATOM 46843 OH2 TIP3 8515 41.575 46.878 -16.320 1.00 0.00 WT3 O ATOM 46844 H1 TIP3 8515 42.531 46.927 -16.314 1.00 0.00 WT3 H ATOM 46845 H2 TIP3 8515 41.320 47.082 -15.420 1.00 0.00 WT3 H ATOM 46846 OH2 TIP3 8516 36.529 45.027 2.409 1.00 0.00 WT3 O ATOM 46847 H1 TIP3 8516 36.333 45.946 2.593 1.00 0.00 WT3 H ATOM 46848 H2 TIP3 8516 35.739 44.693 1.984 1.00 0.00 WT3 H ATOM 46849 OH2 TIP3 8517 76.600 73.762 36.221 1.00 0.00 WT3 O ATOM 46850 H1 TIP3 8517 76.127 73.681 35.393 1.00 0.00 WT3 H ATOM 46851 H2 TIP3 8517 77.499 73.509 36.010 1.00 0.00 WT3 H ATOM 46852 OH2 TIP3 8518 59.214 0.734 -12.400 1.00 0.00 WT3 O ATOM 46853 H1 TIP3 8518 58.763 0.565 -13.227 1.00 0.00 WT3 H ATOM 46854 H2 TIP3 8518 59.683 -0.079 -12.212 1.00 0.00 WT3 H ATOM 46855 OH2 TIP3 8519 80.964 67.756 11.248 1.00 0.00 WT3 O ATOM 46856 H1 TIP3 8519 81.129 67.231 12.031 1.00 0.00 WT3 H ATOM 46857 H2 TIP3 8519 80.204 67.342 10.838 1.00 0.00 WT3 H ATOM 46858 OH2 TIP3 8520 39.368 81.961 0.691 1.00 0.00 WT3 O ATOM 46859 H1 TIP3 8520 40.260 82.177 0.960 1.00 0.00 WT3 H ATOM 46860 H2 TIP3 8520 39.030 82.770 0.306 1.00 0.00 WT3 H ATOM 46861 OH2 TIP3 8521 20.446 71.890 -15.024 1.00 0.00 WT3 O ATOM 46862 H1 TIP3 8521 20.332 71.504 -14.155 1.00 0.00 WT3 H ATOM 46863 H2 TIP3 8521 20.908 72.712 -14.862 1.00 0.00 WT3 H ATOM 46864 OH2 TIP3 8522 85.044 56.897 -15.412 1.00 0.00 WT3 O ATOM 46865 H1 TIP3 8522 84.146 56.907 -15.081 1.00 0.00 WT3 H ATOM 46866 H2 TIP3 8522 85.443 56.129 -15.003 1.00 0.00 WT3 H ATOM 46867 OH2 TIP3 8523 88.850 17.114 36.542 1.00 0.00 WT3 O ATOM 46868 H1 TIP3 8523 88.859 17.212 37.494 1.00 0.00 WT3 H ATOM 46869 H2 TIP3 8523 88.420 17.907 36.223 1.00 0.00 WT3 H ATOM 46870 OH2 TIP3 8524 65.148 6.022 42.694 1.00 0.00 WT3 O ATOM 46871 H1 TIP3 8524 66.037 5.825 42.990 1.00 0.00 WT3 H ATOM 46872 H2 TIP3 8524 65.247 6.250 41.770 1.00 0.00 WT3 H ATOM 46873 OH2 TIP3 8525 45.987 84.325 54.509 1.00 0.00 WT3 O ATOM 46874 H1 TIP3 8525 45.241 84.264 55.106 1.00 0.00 WT3 H ATOM 46875 H2 TIP3 8525 45.736 85.002 53.880 1.00 0.00 WT3 H ATOM 46876 OH2 TIP3 8526 22.778 77.465 46.958 1.00 0.00 WT3 O ATOM 46877 H1 TIP3 8526 22.657 78.293 47.423 1.00 0.00 WT3 H ATOM 46878 H2 TIP3 8526 23.564 77.083 47.349 1.00 0.00 WT3 H ATOM 46879 OH2 TIP3 8527 60.538 65.120 63.897 1.00 0.00 WT3 O ATOM 46880 H1 TIP3 8527 60.780 65.304 62.989 1.00 0.00 WT3 H ATOM 46881 H2 TIP3 8527 60.479 65.982 64.309 1.00 0.00 WT3 H ATOM 46882 OH2 TIP3 8528 67.012 47.167 -6.645 1.00 0.00 WT3 O ATOM 46883 H1 TIP3 8528 67.087 46.494 -5.968 1.00 0.00 WT3 H ATOM 46884 H2 TIP3 8528 66.462 47.844 -6.251 1.00 0.00 WT3 H ATOM 46885 OH2 TIP3 8529 41.184 92.165 48.773 1.00 0.00 WT3 O ATOM 46886 H1 TIP3 8529 41.019 92.003 47.845 1.00 0.00 WT3 H ATOM 46887 H2 TIP3 8529 41.941 92.751 48.784 1.00 0.00 WT3 H ATOM 46888 OH2 TIP3 8530 34.868 6.824 -6.916 1.00 0.00 WT3 O ATOM 46889 H1 TIP3 8530 33.969 6.737 -6.598 1.00 0.00 WT3 H ATOM 46890 H2 TIP3 8530 34.801 6.709 -7.863 1.00 0.00 WT3 H ATOM 46891 OH2 TIP3 8531 22.377 70.485 -2.243 1.00 0.00 WT3 O ATOM 46892 H1 TIP3 8531 23.117 69.911 -2.048 1.00 0.00 WT3 H ATOM 46893 H2 TIP3 8531 22.526 71.260 -1.700 1.00 0.00 WT3 H ATOM 46894 OH2 TIP3 8532 58.246 50.840 51.784 1.00 0.00 WT3 O ATOM 46895 H1 TIP3 8532 57.911 51.465 52.426 1.00 0.00 WT3 H ATOM 46896 H2 TIP3 8532 59.198 50.915 51.851 1.00 0.00 WT3 H ATOM 46897 OH2 TIP3 8534 89.925 92.703 12.267 1.00 0.00 WT3 O ATOM 46898 H1 TIP3 8534 89.776 92.466 11.352 1.00 0.00 WT3 H ATOM 46899 H2 TIP3 8534 90.345 91.932 12.649 1.00 0.00 WT3 H ATOM 46900 OH2 TIP3 8535 22.739 34.546 -9.272 1.00 0.00 WT3 O ATOM 46901 H1 TIP3 8535 22.817 33.694 -9.702 1.00 0.00 WT3 H ATOM 46902 H2 TIP3 8535 21.800 34.655 -9.123 1.00 0.00 WT3 H ATOM 46903 OH2 TIP3 8536 34.465 83.406 -14.505 1.00 0.00 WT3 O ATOM 46904 H1 TIP3 8536 33.666 83.861 -14.770 1.00 0.00 WT3 H ATOM 46905 H2 TIP3 8536 35.118 83.671 -15.153 1.00 0.00 WT3 H ATOM 46906 OH2 TIP3 8538 27.731 95.093 -5.963 1.00 0.00 WT3 O ATOM 46907 H1 TIP3 8538 27.697 95.384 -5.051 1.00 0.00 WT3 H ATOM 46908 H2 TIP3 8538 27.655 94.140 -5.913 1.00 0.00 WT3 H ATOM 46909 OH2 TIP3 8539 85.481 5.843 -3.776 1.00 0.00 WT3 O ATOM 46910 H1 TIP3 8539 85.731 6.552 -3.184 1.00 0.00 WT3 H ATOM 46911 H2 TIP3 8539 84.977 6.274 -4.467 1.00 0.00 WT3 H ATOM 46912 OH2 TIP3 8541 78.196 68.234 64.035 1.00 0.00 WT3 O ATOM 46913 H1 TIP3 8541 77.415 68.212 64.588 1.00 0.00 WT3 H ATOM 46914 H2 TIP3 8541 78.699 67.464 64.299 1.00 0.00 WT3 H ATOM 46915 OH2 TIP3 8542 72.514 50.830 0.962 1.00 0.00 WT3 O ATOM 46916 H1 TIP3 8542 72.002 51.071 1.734 1.00 0.00 WT3 H ATOM 46917 H2 TIP3 8542 73.191 50.242 1.296 1.00 0.00 WT3 H ATOM 46918 OH2 TIP3 8543 24.168 91.229 32.380 1.00 0.00 WT3 O ATOM 46919 H1 TIP3 8543 25.045 91.568 32.558 1.00 0.00 WT3 H ATOM 46920 H2 TIP3 8543 24.317 90.354 32.021 1.00 0.00 WT3 H ATOM 46921 OH2 TIP3 8544 32.085 11.828 -4.554 1.00 0.00 WT3 O ATOM 46922 H1 TIP3 8544 31.838 11.862 -5.478 1.00 0.00 WT3 H ATOM 46923 H2 TIP3 8544 31.917 10.922 -4.294 1.00 0.00 WT3 H ATOM 46924 OH2 TIP3 8545 48.584 78.563 25.657 1.00 0.00 WT3 O ATOM 46925 H1 TIP3 8545 48.725 77.715 25.236 1.00 0.00 WT3 H ATOM 46926 H2 TIP3 8545 47.635 78.625 25.762 1.00 0.00 WT3 H ATOM 46927 OH2 TIP3 8546 52.876 62.085 4.061 1.00 0.00 WT3 O ATOM 46928 H1 TIP3 8546 53.633 61.834 3.532 1.00 0.00 WT3 H ATOM 46929 H2 TIP3 8546 52.419 62.738 3.531 1.00 0.00 WT3 H ATOM 46930 OH2 TIP3 8547 76.910 93.952 47.742 1.00 0.00 WT3 O ATOM 46931 H1 TIP3 8547 76.238 94.154 47.091 1.00 0.00 WT3 H ATOM 46932 H2 TIP3 8547 77.106 93.025 47.606 1.00 0.00 WT3 H ATOM 46933 OH2 TIP3 8548 70.585 71.313 53.351 1.00 0.00 WT3 O ATOM 46934 H1 TIP3 8548 70.135 71.758 52.633 1.00 0.00 WT3 H ATOM 46935 H2 TIP3 8548 70.973 72.020 53.867 1.00 0.00 WT3 H ATOM 46936 OH2 TIP3 8549 32.874 36.663 7.618 1.00 0.00 WT3 O ATOM 46937 H1 TIP3 8549 33.634 36.099 7.764 1.00 0.00 WT3 H ATOM 46938 H2 TIP3 8549 33.199 37.549 7.779 1.00 0.00 WT3 H ATOM 46939 OH2 TIP3 8550 58.644 94.980 8.246 1.00 0.00 WT3 O ATOM 46940 H1 TIP3 8550 59.206 95.332 7.556 1.00 0.00 WT3 H ATOM 46941 H2 TIP3 8550 58.758 94.031 8.188 1.00 0.00 WT3 H ATOM 46942 OH2 TIP3 8552 23.269 23.047 12.441 1.00 0.00 WT3 O ATOM 46943 H1 TIP3 8552 24.121 23.424 12.223 1.00 0.00 WT3 H ATOM 46944 H2 TIP3 8552 23.003 23.502 13.240 1.00 0.00 WT3 H ATOM 46945 OH2 TIP3 8554 31.906 92.997 23.603 1.00 0.00 WT3 O ATOM 46946 H1 TIP3 8554 31.247 93.109 24.288 1.00 0.00 WT3 H ATOM 46947 H2 TIP3 8554 31.483 92.437 22.952 1.00 0.00 WT3 H ATOM 46948 OH2 TIP3 8555 31.828 92.800 8.279 1.00 0.00 WT3 O ATOM 46949 H1 TIP3 8555 32.665 92.561 8.678 1.00 0.00 WT3 H ATOM 46950 H2 TIP3 8555 32.068 93.297 7.497 1.00 0.00 WT3 H ATOM 46951 OH2 TIP3 8556 36.114 14.580 27.696 1.00 0.00 WT3 O ATOM 46952 H1 TIP3 8556 36.642 13.802 27.875 1.00 0.00 WT3 H ATOM 46953 H2 TIP3 8556 36.696 15.157 27.201 1.00 0.00 WT3 H ATOM 46954 OH2 TIP3 8557 23.357 54.885 11.205 1.00 0.00 WT3 O ATOM 46955 H1 TIP3 8557 24.069 54.345 11.548 1.00 0.00 WT3 H ATOM 46956 H2 TIP3 8557 22.765 55.002 11.948 1.00 0.00 WT3 H ATOM 46957 OH2 TIP3 8558 82.182 90.652 27.465 1.00 0.00 WT3 O ATOM 46958 H1 TIP3 8558 82.548 90.815 26.595 1.00 0.00 WT3 H ATOM 46959 H2 TIP3 8558 81.275 90.950 27.403 1.00 0.00 WT3 H ATOM 46960 OH2 TIP3 8560 24.351 34.899 -11.499 1.00 0.00 WT3 O ATOM 46961 H1 TIP3 8560 24.318 35.703 -12.017 1.00 0.00 WT3 H ATOM 46962 H2 TIP3 8560 23.844 35.099 -10.713 1.00 0.00 WT3 H ATOM 46963 OH2 TIP3 8561 30.591 44.422 -8.538 1.00 0.00 WT3 O ATOM 46964 H1 TIP3 8561 30.395 44.087 -9.413 1.00 0.00 WT3 H ATOM 46965 H2 TIP3 8561 29.902 45.064 -8.367 1.00 0.00 WT3 H ATOM 46966 OH2 TIP3 8562 40.210 23.082 46.366 1.00 0.00 WT3 O ATOM 46967 H1 TIP3 8562 40.672 23.659 45.758 1.00 0.00 WT3 H ATOM 46968 H2 TIP3 8562 39.564 22.630 45.824 1.00 0.00 WT3 H ATOM 46969 OH2 TIP3 8564 34.403 76.679 -15.624 1.00 0.00 WT3 O ATOM 46970 H1 TIP3 8564 34.495 76.743 -14.673 1.00 0.00 WT3 H ATOM 46971 H2 TIP3 8564 33.462 76.579 -15.768 1.00 0.00 WT3 H ATOM 46972 OH2 TIP3 8565 46.191 81.177 43.358 1.00 0.00 WT3 O ATOM 46973 H1 TIP3 8565 45.288 81.026 43.640 1.00 0.00 WT3 H ATOM 46974 H2 TIP3 8565 46.551 81.771 44.016 1.00 0.00 WT3 H ATOM 46975 OH2 TIP3 8566 34.397 6.120 30.491 1.00 0.00 WT3 O ATOM 46976 H1 TIP3 8566 33.510 6.095 30.852 1.00 0.00 WT3 H ATOM 46977 H2 TIP3 8566 34.324 5.681 29.644 1.00 0.00 WT3 H ATOM 46978 OH2 TIP3 8567 22.773 42.296 -18.776 1.00 0.00 WT3 O ATOM 46979 H1 TIP3 8567 22.051 41.704 -18.561 1.00 0.00 WT3 H ATOM 46980 H2 TIP3 8567 22.586 42.588 -19.668 1.00 0.00 WT3 H ATOM 46981 OH2 TIP3 8571 77.505 80.516 -9.693 1.00 0.00 WT3 O ATOM 46982 H1 TIP3 8571 76.818 79.876 -9.879 1.00 0.00 WT3 H ATOM 46983 H2 TIP3 8571 77.162 81.343 -10.032 1.00 0.00 WT3 H ATOM 46984 OH2 TIP3 8573 67.301 79.082 59.490 1.00 0.00 WT3 O ATOM 46985 H1 TIP3 8573 67.296 80.022 59.667 1.00 0.00 WT3 H ATOM 46986 H2 TIP3 8573 68.229 78.857 59.415 1.00 0.00 WT3 H ATOM 46987 OH2 TIP3 8574 51.050 13.796 40.397 1.00 0.00 WT3 O ATOM 46988 H1 TIP3 8574 51.325 13.463 41.250 1.00 0.00 WT3 H ATOM 46989 H2 TIP3 8574 51.748 14.396 40.136 1.00 0.00 WT3 H ATOM 46990 OH2 TIP3 8577 39.631 32.730 -14.569 1.00 0.00 WT3 O ATOM 46991 H1 TIP3 8577 40.531 32.508 -14.330 1.00 0.00 WT3 H ATOM 46992 H2 TIP3 8577 39.703 33.572 -15.019 1.00 0.00 WT3 H ATOM 46993 OH2 TIP3 8579 62.010 18.638 40.793 1.00 0.00 WT3 O ATOM 46994 H1 TIP3 8579 62.024 17.826 41.299 1.00 0.00 WT3 H ATOM 46995 H2 TIP3 8579 61.921 18.353 39.884 1.00 0.00 WT3 H ATOM 46996 OH2 TIP3 8581 26.800 59.825 41.669 1.00 0.00 WT3 O ATOM 46997 H1 TIP3 8581 27.447 60.531 41.685 1.00 0.00 WT3 H ATOM 46998 H2 TIP3 8581 27.274 59.058 41.990 1.00 0.00 WT3 H ATOM 46999 OH2 TIP3 8582 47.073 3.100 36.980 1.00 0.00 WT3 O ATOM 47000 H1 TIP3 8582 47.188 2.890 37.907 1.00 0.00 WT3 H ATOM 47001 H2 TIP3 8582 46.141 2.955 36.815 1.00 0.00 WT3 H ATOM 47002 OH2 TIP3 8583 86.242 57.055 48.442 1.00 0.00 WT3 O ATOM 47003 H1 TIP3 8583 85.525 56.464 48.209 1.00 0.00 WT3 H ATOM 47004 H2 TIP3 8583 87.001 56.481 48.545 1.00 0.00 WT3 H ATOM 47005 OH2 TIP3 8584 28.524 51.616 -6.901 1.00 0.00 WT3 O ATOM 47006 H1 TIP3 8584 27.879 52.318 -6.804 1.00 0.00 WT3 H ATOM 47007 H2 TIP3 8584 29.292 51.930 -6.424 1.00 0.00 WT3 H ATOM 47008 OH2 TIP3 8585 67.874 46.020 22.278 1.00 0.00 WT3 O ATOM 47009 H1 TIP3 8585 68.260 46.887 22.150 1.00 0.00 WT3 H ATOM 47010 H2 TIP3 8585 66.990 46.197 22.600 1.00 0.00 WT3 H ATOM 47011 OH2 TIP3 8590 54.548 76.535 -19.499 1.00 0.00 WT3 O ATOM 47012 H1 TIP3 8590 54.674 76.433 -18.556 1.00 0.00 WT3 H ATOM 47013 H2 TIP3 8590 54.773 77.448 -19.674 1.00 0.00 WT3 H ATOM 47014 OH2 TIP3 8591 51.071 11.977 42.858 1.00 0.00 WT3 O ATOM 47015 H1 TIP3 8591 50.692 11.128 43.084 1.00 0.00 WT3 H ATOM 47016 H2 TIP3 8591 52.013 11.816 42.813 1.00 0.00 WT3 H ATOM 47017 OH2 TIP3 8594 82.372 6.349 -14.548 1.00 0.00 WT3 O ATOM 47018 H1 TIP3 8594 82.481 5.480 -14.161 1.00 0.00 WT3 H ATOM 47019 H2 TIP3 8594 83.245 6.740 -14.511 1.00 0.00 WT3 H ATOM 47020 OH2 TIP3 8598 76.352 64.259 10.847 1.00 0.00 WT3 O ATOM 47021 H1 TIP3 8598 76.439 64.544 11.757 1.00 0.00 WT3 H ATOM 47022 H2 TIP3 8598 75.780 64.913 10.445 1.00 0.00 WT3 H ATOM 47023 OH2 TIP3 8600 62.534 27.239 37.233 1.00 0.00 WT3 O ATOM 47024 H1 TIP3 8600 62.833 26.330 37.255 1.00 0.00 WT3 H ATOM 47025 H2 TIP3 8600 63.290 27.733 36.915 1.00 0.00 WT3 H ATOM 47026 OH2 TIP3 8602 63.197 28.160 13.984 1.00 0.00 WT3 O ATOM 47027 H1 TIP3 8602 62.306 28.151 13.634 1.00 0.00 WT3 H ATOM 47028 H2 TIP3 8602 63.666 28.784 13.430 1.00 0.00 WT3 H ATOM 47029 OH2 TIP3 8605 24.512 40.134 66.978 1.00 0.00 WT3 O ATOM 47030 H1 TIP3 8605 24.336 40.764 67.677 1.00 0.00 WT3 H ATOM 47031 H2 TIP3 8605 25.336 40.429 66.591 1.00 0.00 WT3 H ATOM 47032 OH2 TIP3 8614 87.482 23.183 46.968 1.00 0.00 WT3 O ATOM 47033 H1 TIP3 8614 87.637 22.685 47.770 1.00 0.00 WT3 H ATOM 47034 H2 TIP3 8614 88.199 22.932 46.387 1.00 0.00 WT3 H ATOM 47035 OH2 TIP3 8615 59.700 72.581 -0.202 1.00 0.00 WT3 O ATOM 47036 H1 TIP3 8615 59.387 73.075 0.556 1.00 0.00 WT3 H ATOM 47037 H2 TIP3 8615 60.520 72.183 0.092 1.00 0.00 WT3 H ATOM 47038 OH2 TIP3 8621 83.396 76.215 52.756 1.00 0.00 WT3 O ATOM 47039 H1 TIP3 8621 83.218 76.087 53.688 1.00 0.00 WT3 H ATOM 47040 H2 TIP3 8621 83.654 77.134 52.685 1.00 0.00 WT3 H ATOM 47041 OH2 TIP3 8625 48.818 77.205 5.362 1.00 0.00 WT3 O ATOM 47042 H1 TIP3 8625 49.160 77.828 6.003 1.00 0.00 WT3 H ATOM 47043 H2 TIP3 8625 48.969 76.346 5.757 1.00 0.00 WT3 H ATOM 47044 OH2 TIP3 8627 67.459 86.483 8.883 1.00 0.00 WT3 O ATOM 47045 H1 TIP3 8627 67.146 86.769 8.025 1.00 0.00 WT3 H ATOM 47046 H2 TIP3 8627 67.214 87.192 9.477 1.00 0.00 WT3 H ATOM 47047 OH2 TIP3 8635 42.218 90.101 50.209 1.00 0.00 WT3 O ATOM 47048 H1 TIP3 8635 41.866 90.825 49.691 1.00 0.00 WT3 H ATOM 47049 H2 TIP3 8635 42.225 89.357 49.607 1.00 0.00 WT3 H ATOM 47050 OH2 TIP3 8637 77.632 8.899 38.290 1.00 0.00 WT3 O ATOM 47051 H1 TIP3 8637 77.098 9.320 38.965 1.00 0.00 WT3 H ATOM 47052 H2 TIP3 8637 77.040 8.274 37.872 1.00 0.00 WT3 H ATOM 47053 OH2 TIP3 8638 28.648 42.919 32.710 1.00 0.00 WT3 O ATOM 47054 H1 TIP3 8638 28.108 42.439 32.082 1.00 0.00 WT3 H ATOM 47055 H2 TIP3 8638 29.058 43.612 32.193 1.00 0.00 WT3 H ATOM 47056 OH2 TIP3 8640 73.877 21.335 34.710 1.00 0.00 WT3 O ATOM 47057 H1 TIP3 8640 73.329 21.904 34.169 1.00 0.00 WT3 H ATOM 47058 H2 TIP3 8640 74.410 21.938 35.228 1.00 0.00 WT3 H ATOM 47059 OH2 TIP3 8645 72.412 68.104 -15.028 1.00 0.00 WT3 O ATOM 47060 H1 TIP3 8645 72.094 68.665 -14.321 1.00 0.00 WT3 H ATOM 47061 H2 TIP3 8645 72.096 68.524 -15.828 1.00 0.00 WT3 H ATOM 47062 OH2 TIP3 8647 57.308 3.733 32.631 1.00 0.00 WT3 O ATOM 47063 H1 TIP3 8647 57.172 3.913 33.562 1.00 0.00 WT3 H ATOM 47064 H2 TIP3 8647 57.955 3.028 32.616 1.00 0.00 WT3 H ATOM 47065 OH2 TIP3 8649 22.132 38.593 8.972 1.00 0.00 WT3 O ATOM 47066 H1 TIP3 8649 22.933 38.083 9.098 1.00 0.00 WT3 H ATOM 47067 H2 TIP3 8649 22.377 39.275 8.348 1.00 0.00 WT3 H ATOM 47068 OH2 TIP3 8669 38.776 7.445 65.563 1.00 0.00 WT3 O ATOM 47069 H1 TIP3 8669 39.629 7.492 65.130 1.00 0.00 WT3 H ATOM 47070 H2 TIP3 8669 38.851 6.700 66.160 1.00 0.00 WT3 H ATOM 47071 OH2 TIP3 8753 88.914 55.841 39.417 1.00 0.00 WT3 O ATOM 47072 H1 TIP3 8753 88.313 56.585 39.407 1.00 0.00 WT3 H ATOM 47073 H2 TIP3 8753 89.218 55.791 40.324 1.00 0.00 WT3 H ATOM 47074 OH2 TIP3 8760 43.476 90.264 -19.122 1.00 0.00 WT3 O ATOM 47075 H1 TIP3 8760 44.176 90.280 -18.469 1.00 0.00 WT3 H ATOM 47076 H2 TIP3 8760 43.649 91.024 -19.678 1.00 0.00 WT3 H ATOM 47077 OH2 TIP3 8762 63.104 21.420 47.630 1.00 0.00 WT3 O ATOM 47078 H1 TIP3 8762 63.801 21.975 47.281 1.00 0.00 WT3 H ATOM 47079 H2 TIP3 8762 62.376 21.535 47.019 1.00 0.00 WT3 H ATOM 47080 OH2 TIP3 8777 47.403 69.971 0.587 1.00 0.00 WT3 O ATOM 47081 H1 TIP3 8777 47.039 70.562 1.246 1.00 0.00 WT3 H ATOM 47082 H2 TIP3 8777 48.078 69.478 1.054 1.00 0.00 WT3 H ATOM 47083 OH2 TIP3 8779 33.640 57.803 -5.924 1.00 0.00 WT3 O ATOM 47084 H1 TIP3 8779 32.815 57.826 -5.440 1.00 0.00 WT3 H ATOM 47085 H2 TIP3 8779 34.055 58.644 -5.731 1.00 0.00 WT3 H ATOM 47086 OH2 TIP3 8780 50.951 71.120 -11.361 1.00 0.00 WT3 O ATOM 47087 H1 TIP3 8780 50.653 70.705 -10.552 1.00 0.00 WT3 H ATOM 47088 H2 TIP3 8780 50.465 70.672 -12.054 1.00 0.00 WT3 H ATOM 47089 OH2 TIP3 8782 74.926 91.995 50.316 1.00 0.00 WT3 O ATOM 47090 H1 TIP3 8782 75.774 91.552 50.341 1.00 0.00 WT3 H ATOM 47091 H2 TIP3 8782 74.674 91.978 49.392 1.00 0.00 WT3 H ATOM 47092 OH2 TIP3 8790 66.010 40.639 38.691 1.00 0.00 WT3 O ATOM 47093 H1 TIP3 8790 66.064 39.684 38.746 1.00 0.00 WT3 H ATOM 47094 H2 TIP3 8790 66.917 40.925 38.589 1.00 0.00 WT3 H ATOM 47095 OH2 TIP3 8792 55.623 2.149 0.002 1.00 0.00 WT3 O ATOM 47096 H1 TIP3 8792 56.078 2.136 0.844 1.00 0.00 WT3 H ATOM 47097 H2 TIP3 8792 54.900 2.764 0.129 1.00 0.00 WT3 H ATOM 47098 OH2 TIP3 8794 22.857 10.859 -14.106 1.00 0.00 WT3 O ATOM 47099 H1 TIP3 8794 23.127 11.497 -14.767 1.00 0.00 WT3 H ATOM 47100 H2 TIP3 8794 23.094 10.010 -14.482 1.00 0.00 WT3 H ATOM 47101 OH2 TIP3 8799 27.216 96.162 -3.262 1.00 0.00 WT3 O ATOM 47102 H1 TIP3 8799 27.454 97.063 -3.044 1.00 0.00 WT3 H ATOM 47103 H2 TIP3 8799 27.414 95.663 -2.470 1.00 0.00 WT3 H ATOM 47104 OH2 TIP3 8801 84.250 39.847 12.085 1.00 0.00 WT3 O ATOM 47105 H1 TIP3 8801 84.914 39.196 11.859 1.00 0.00 WT3 H ATOM 47106 H2 TIP3 8801 84.427 40.064 13.000 1.00 0.00 WT3 H ATOM 47107 OH2 TIP3 8802 54.765 44.640 55.091 1.00 0.00 WT3 O ATOM 47108 H1 TIP3 8802 55.026 45.360 55.665 1.00 0.00 WT3 H ATOM 47109 H2 TIP3 8802 54.481 45.068 54.283 1.00 0.00 WT3 H ATOM 47110 OH2 TIP3 8803 27.274 70.854 -6.083 1.00 0.00 WT3 O ATOM 47111 H1 TIP3 8803 27.373 71.235 -5.211 1.00 0.00 WT3 H ATOM 47112 H2 TIP3 8803 28.170 70.682 -6.372 1.00 0.00 WT3 H ATOM 47113 OH2 TIP3 8807 57.921 87.489 -5.691 1.00 0.00 WT3 O ATOM 47114 H1 TIP3 8807 57.846 86.613 -5.313 1.00 0.00 WT3 H ATOM 47115 H2 TIP3 8807 57.098 87.920 -5.463 1.00 0.00 WT3 H ATOM 47116 OH2 TIP3 8813 34.189 94.595 66.847 1.00 0.00 WT3 O ATOM 47117 H1 TIP3 8813 34.200 94.278 65.944 1.00 0.00 WT3 H ATOM 47118 H2 TIP3 8813 33.640 95.380 66.819 1.00 0.00 WT3 H ATOM 47119 OH2 TIP3 8816 88.590 67.142 -12.644 1.00 0.00 WT3 O ATOM 47120 H1 TIP3 8816 88.132 66.339 -12.395 1.00 0.00 WT3 H ATOM 47121 H2 TIP3 8816 88.848 67.538 -11.811 1.00 0.00 WT3 H ATOM 47122 OH2 TIP3 8820 83.452 65.333 -8.526 1.00 0.00 WT3 O ATOM 47123 H1 TIP3 8820 82.977 66.103 -8.840 1.00 0.00 WT3 H ATOM 47124 H2 TIP3 8820 82.963 64.590 -8.877 1.00 0.00 WT3 H ATOM 47125 OH2 TIP3 8822 74.261 8.581 49.531 1.00 0.00 WT3 O ATOM 47126 H1 TIP3 8822 75.087 9.058 49.607 1.00 0.00 WT3 H ATOM 47127 H2 TIP3 8822 74.256 8.250 48.632 1.00 0.00 WT3 H ATOM 47128 OH2 TIP3 8823 68.868 76.554 42.104 1.00 0.00 WT3 O ATOM 47129 H1 TIP3 8823 68.060 76.993 41.836 1.00 0.00 WT3 H ATOM 47130 H2 TIP3 8823 69.186 76.131 41.307 1.00 0.00 WT3 H ATOM 47131 OH2 TIP3 8824 26.653 55.754 25.669 1.00 0.00 WT3 O ATOM 47132 H1 TIP3 8824 27.002 54.971 25.244 1.00 0.00 WT3 H ATOM 47133 H2 TIP3 8824 25.702 55.658 25.605 1.00 0.00 WT3 H ATOM 47134 OH2 TIP3 8829 87.706 31.126 -14.475 1.00 0.00 WT3 O ATOM 47135 H1 TIP3 8829 86.996 31.543 -13.987 1.00 0.00 WT3 H ATOM 47136 H2 TIP3 8829 87.833 31.687 -15.240 1.00 0.00 WT3 H ATOM 47137 OH2 TIP3 8830 85.288 75.139 -7.922 1.00 0.00 WT3 O ATOM 47138 H1 TIP3 8830 86.158 75.279 -7.549 1.00 0.00 WT3 H ATOM 47139 H2 TIP3 8830 84.773 74.779 -7.200 1.00 0.00 WT3 H ATOM 47140 OH2 TIP3 8831 72.952 74.550 11.463 1.00 0.00 WT3 O ATOM 47141 H1 TIP3 8831 72.068 74.446 11.814 1.00 0.00 WT3 H ATOM 47142 H2 TIP3 8831 72.865 74.354 10.530 1.00 0.00 WT3 H ATOM 47143 OH2 TIP3 8833 66.850 75.875 22.959 1.00 0.00 WT3 O ATOM 47144 H1 TIP3 8833 66.131 75.277 23.165 1.00 0.00 WT3 H ATOM 47145 H2 TIP3 8833 67.136 75.614 22.084 1.00 0.00 WT3 H ATOM 47146 OH2 TIP3 8836 63.722 16.935 12.573 1.00 0.00 WT3 O ATOM 47147 H1 TIP3 8836 62.817 16.843 12.277 1.00 0.00 WT3 H ATOM 47148 H2 TIP3 8836 63.650 17.291 13.458 1.00 0.00 WT3 H ATOM 47149 OH2 TIP3 8837 44.551 32.885 55.709 1.00 0.00 WT3 O ATOM 47150 H1 TIP3 8837 43.711 33.210 56.033 1.00 0.00 WT3 H ATOM 47151 H2 TIP3 8837 44.568 31.964 55.969 1.00 0.00 WT3 H ATOM 47152 OH2 TIP3 8838 40.515 39.638 42.916 1.00 0.00 WT3 O ATOM 47153 H1 TIP3 8838 39.646 40.025 43.022 1.00 0.00 WT3 H ATOM 47154 H2 TIP3 8838 40.345 38.737 42.642 1.00 0.00 WT3 H ATOM 47155 OH2 TIP3 8840 28.946 16.617 -19.332 1.00 0.00 WT3 O ATOM 47156 H1 TIP3 8840 28.770 16.604 -18.391 1.00 0.00 WT3 H ATOM 47157 H2 TIP3 8840 28.180 17.048 -19.713 1.00 0.00 WT3 H ATOM 47158 OH2 TIP3 8842 32.895 95.405 -14.220 1.00 0.00 WT3 O ATOM 47159 H1 TIP3 8842 32.971 94.579 -13.743 1.00 0.00 WT3 H ATOM 47160 H2 TIP3 8842 32.212 95.889 -13.756 1.00 0.00 WT3 H ATOM 47161 OH2 TIP3 8843 50.207 76.174 55.438 1.00 0.00 WT3 O ATOM 47162 H1 TIP3 8843 49.763 75.345 55.260 1.00 0.00 WT3 H ATOM 47163 H2 TIP3 8843 50.981 75.928 55.943 1.00 0.00 WT3 H ATOM 47164 OH2 TIP3 8844 73.985 24.501 62.736 1.00 0.00 WT3 O ATOM 47165 H1 TIP3 8844 74.285 25.300 62.301 1.00 0.00 WT3 H ATOM 47166 H2 TIP3 8844 73.030 24.574 62.740 1.00 0.00 WT3 H ATOM 47167 OH2 TIP3 8845 49.335 25.655 50.008 1.00 0.00 WT3 O ATOM 47168 H1 TIP3 8845 49.295 24.778 50.389 1.00 0.00 WT3 H ATOM 47169 H2 TIP3 8845 49.058 25.534 49.100 1.00 0.00 WT3 H ATOM 47170 OH2 TIP3 8846 60.007 53.965 -17.198 1.00 0.00 WT3 O ATOM 47171 H1 TIP3 8846 59.191 54.030 -16.701 1.00 0.00 WT3 H ATOM 47172 H2 TIP3 8846 60.413 54.827 -17.106 1.00 0.00 WT3 H ATOM 47173 OH2 TIP3 8847 88.032 21.258 -13.705 1.00 0.00 WT3 O ATOM 47174 H1 TIP3 8847 87.759 21.973 -13.130 1.00 0.00 WT3 H ATOM 47175 H2 TIP3 8847 87.259 21.068 -14.235 1.00 0.00 WT3 H ATOM 47176 OH2 TIP3 8848 44.115 55.737 -16.492 1.00 0.00 WT3 O ATOM 47177 H1 TIP3 8848 43.559 55.809 -17.268 1.00 0.00 WT3 H ATOM 47178 H2 TIP3 8848 44.482 56.614 -16.378 1.00 0.00 WT3 H ATOM 47179 OH2 TIP3 8849 67.189 54.346 52.107 1.00 0.00 WT3 O ATOM 47180 H1 TIP3 8849 66.257 54.179 51.963 1.00 0.00 WT3 H ATOM 47181 H2 TIP3 8849 67.586 54.250 51.241 1.00 0.00 WT3 H ATOM 47182 OH2 TIP3 8852 48.062 63.057 50.202 1.00 0.00 WT3 O ATOM 47183 H1 TIP3 8852 47.678 62.732 49.388 1.00 0.00 WT3 H ATOM 47184 H2 TIP3 8852 48.943 63.339 49.955 1.00 0.00 WT3 H ATOM 47185 OH2 TIP3 8855 28.598 71.731 34.740 1.00 0.00 WT3 O ATOM 47186 H1 TIP3 8855 28.976 72.515 34.342 1.00 0.00 WT3 H ATOM 47187 H2 TIP3 8855 29.349 71.160 34.904 1.00 0.00 WT3 H ATOM 47188 OH2 TIP3 8856 64.570 65.002 61.156 1.00 0.00 WT3 O ATOM 47189 H1 TIP3 8856 65.139 64.556 60.530 1.00 0.00 WT3 H ATOM 47190 H2 TIP3 8856 65.172 65.414 61.776 1.00 0.00 WT3 H ATOM 47191 OH2 TIP3 8857 54.988 4.474 34.241 1.00 0.00 WT3 O ATOM 47192 H1 TIP3 8857 55.124 5.393 34.470 1.00 0.00 WT3 H ATOM 47193 H2 TIP3 8857 54.930 4.471 33.286 1.00 0.00 WT3 H ATOM 47194 OH2 TIP3 8859 61.281 30.340 6.340 1.00 0.00 WT3 O ATOM 47195 H1 TIP3 8859 61.832 29.558 6.316 1.00 0.00 WT3 H ATOM 47196 H2 TIP3 8859 60.405 30.010 6.537 1.00 0.00 WT3 H ATOM 47197 OH2 TIP3 8861 26.530 56.533 65.689 1.00 0.00 WT3 O ATOM 47198 H1 TIP3 8861 25.639 56.577 65.341 1.00 0.00 WT3 H ATOM 47199 H2 TIP3 8861 26.860 55.683 65.400 1.00 0.00 WT3 H ATOM 47200 OH2 TIP3 8863 27.125 89.541 58.777 1.00 0.00 WT3 O ATOM 47201 H1 TIP3 8863 26.777 88.715 58.441 1.00 0.00 WT3 H ATOM 47202 H2 TIP3 8863 26.489 89.819 59.437 1.00 0.00 WT3 H ATOM 47203 OH2 TIP3 8864 82.184 77.601 -13.529 1.00 0.00 WT3 O ATOM 47204 H1 TIP3 8864 81.369 77.208 -13.839 1.00 0.00 WT3 H ATOM 47205 H2 TIP3 8864 81.984 77.902 -12.642 1.00 0.00 WT3 H ATOM 47206 OH2 TIP3 8865 33.860 44.906 1.970 1.00 0.00 WT3 O ATOM 47207 H1 TIP3 8865 33.321 45.111 2.734 1.00 0.00 WT3 H ATOM 47208 H2 TIP3 8865 33.283 45.055 1.221 1.00 0.00 WT3 H ATOM 47209 OH2 TIP3 8866 44.893 14.049 -8.635 1.00 0.00 WT3 O ATOM 47210 H1 TIP3 8866 45.469 13.461 -9.125 1.00 0.00 WT3 H ATOM 47211 H2 TIP3 8866 45.321 14.904 -8.689 1.00 0.00 WT3 H ATOM 47212 OH2 TIP3 8867 42.359 45.230 33.914 1.00 0.00 WT3 O ATOM 47213 H1 TIP3 8867 42.979 45.478 33.228 1.00 0.00 WT3 H ATOM 47214 H2 TIP3 8867 42.173 46.047 34.376 1.00 0.00 WT3 H ATOM 47215 OH2 TIP3 8869 56.999 86.904 45.826 1.00 0.00 WT3 O ATOM 47216 H1 TIP3 8869 56.194 86.790 45.321 1.00 0.00 WT3 H ATOM 47217 H2 TIP3 8869 56.703 86.993 46.732 1.00 0.00 WT3 H ATOM 47218 OH2 TIP3 8870 89.172 72.822 -17.605 1.00 0.00 WT3 O ATOM 47219 H1 TIP3 8870 89.090 72.545 -16.692 1.00 0.00 WT3 H ATOM 47220 H2 TIP3 8870 90.114 72.928 -17.740 1.00 0.00 WT3 H ATOM 47221 OH2 TIP3 8871 67.708 60.272 -1.380 1.00 0.00 WT3 O ATOM 47222 H1 TIP3 8871 68.424 59.680 -1.149 1.00 0.00 WT3 H ATOM 47223 H2 TIP3 8871 66.917 59.812 -1.099 1.00 0.00 WT3 H ATOM 47224 OH2 TIP3 8878 42.012 59.769 49.201 1.00 0.00 WT3 O ATOM 47225 H1 TIP3 8878 41.452 60.277 49.788 1.00 0.00 WT3 H ATOM 47226 H2 TIP3 8878 42.547 60.423 48.753 1.00 0.00 WT3 H ATOM 47227 OH2 TIP3 8879 83.809 36.903 56.609 1.00 0.00 WT3 O ATOM 47228 H1 TIP3 8879 84.275 37.739 56.587 1.00 0.00 WT3 H ATOM 47229 H2 TIP3 8879 82.993 37.094 57.070 1.00 0.00 WT3 H ATOM 47230 OH2 TIP3 8881 25.212 54.312 -0.662 1.00 0.00 WT3 O ATOM 47231 H1 TIP3 8881 26.147 54.134 -0.565 1.00 0.00 WT3 H ATOM 47232 H2 TIP3 8881 24.919 54.544 0.219 1.00 0.00 WT3 H ATOM 47233 OH2 TIP3 8882 71.059 45.213 48.312 1.00 0.00 WT3 O ATOM 47234 H1 TIP3 8882 71.350 44.415 48.754 1.00 0.00 WT3 H ATOM 47235 H2 TIP3 8882 70.906 44.943 47.406 1.00 0.00 WT3 H ATOM 47236 OH2 TIP3 8883 65.510 39.673 8.980 1.00 0.00 WT3 O ATOM 47237 H1 TIP3 8883 65.224 40.273 9.670 1.00 0.00 WT3 H ATOM 47238 H2 TIP3 8883 64.698 39.354 8.588 1.00 0.00 WT3 H ATOM 47239 OH2 TIP3 8884 33.428 33.245 1.572 1.00 0.00 WT3 O ATOM 47240 H1 TIP3 8884 33.607 32.973 2.472 1.00 0.00 WT3 H ATOM 47241 H2 TIP3 8884 33.785 34.131 1.514 1.00 0.00 WT3 H ATOM 47242 OH2 TIP3 8885 67.230 86.510 20.471 1.00 0.00 WT3 O ATOM 47243 H1 TIP3 8885 67.076 85.680 20.021 1.00 0.00 WT3 H ATOM 47244 H2 TIP3 8885 67.631 86.261 21.304 1.00 0.00 WT3 H ATOM 47245 OH2 TIP3 8886 62.315 48.864 -14.054 1.00 0.00 WT3 O ATOM 47246 H1 TIP3 8886 62.647 49.657 -13.633 1.00 0.00 WT3 H ATOM 47247 H2 TIP3 8886 62.168 48.252 -13.333 1.00 0.00 WT3 H ATOM 47248 OH2 TIP3 8887 22.451 5.442 -14.723 1.00 0.00 WT3 O ATOM 47249 H1 TIP3 8887 21.932 6.219 -14.933 1.00 0.00 WT3 H ATOM 47250 H2 TIP3 8887 21.875 4.706 -14.930 1.00 0.00 WT3 H ATOM 47251 OH2 TIP3 8888 38.221 38.153 -4.457 1.00 0.00 WT3 O ATOM 47252 H1 TIP3 8888 38.065 38.673 -5.245 1.00 0.00 WT3 H ATOM 47253 H2 TIP3 8888 39.122 38.358 -4.209 1.00 0.00 WT3 H ATOM 47254 OH2 TIP3 8893 43.569 51.407 -19.242 1.00 0.00 WT3 O ATOM 47255 H1 TIP3 8893 44.040 51.465 -20.073 1.00 0.00 WT3 H ATOM 47256 H2 TIP3 8893 44.184 50.978 -18.647 1.00 0.00 WT3 H ATOM 47257 OH2 TIP3 8894 42.058 86.383 21.416 1.00 0.00 WT3 O ATOM 47258 H1 TIP3 8894 42.095 85.785 22.162 1.00 0.00 WT3 H ATOM 47259 H2 TIP3 8894 42.332 85.851 20.668 1.00 0.00 WT3 H ATOM 47260 OH2 TIP3 8895 78.543 58.661 -19.992 1.00 0.00 WT3 O ATOM 47261 H1 TIP3 8895 78.363 59.568 -19.743 1.00 0.00 WT3 H ATOM 47262 H2 TIP3 8895 79.253 58.389 -19.410 1.00 0.00 WT3 H ATOM 47263 OH2 TIP3 8896 30.023 91.665 -18.818 1.00 0.00 WT3 O ATOM 47264 H1 TIP3 8896 30.159 90.721 -18.903 1.00 0.00 WT3 H ATOM 47265 H2 TIP3 8896 30.871 92.050 -19.040 1.00 0.00 WT3 H ATOM 47266 OH2 TIP3 8897 84.280 12.269 -11.677 1.00 0.00 WT3 O ATOM 47267 H1 TIP3 8897 84.248 11.643 -12.400 1.00 0.00 WT3 H ATOM 47268 H2 TIP3 8897 83.982 13.094 -12.060 1.00 0.00 WT3 H ATOM 47269 OH2 TIP3 8898 35.398 67.738 53.013 1.00 0.00 WT3 O ATOM 47270 H1 TIP3 8898 36.346 67.708 52.887 1.00 0.00 WT3 H ATOM 47271 H2 TIP3 8898 35.167 68.657 52.877 1.00 0.00 WT3 H ATOM 47272 OH2 TIP3 8899 67.785 39.077 60.549 1.00 0.00 WT3 O ATOM 47273 H1 TIP3 8899 68.239 38.909 61.375 1.00 0.00 WT3 H ATOM 47274 H2 TIP3 8899 68.006 39.983 60.334 1.00 0.00 WT3 H ATOM 47275 OH2 TIP3 8900 52.535 88.698 52.030 1.00 0.00 WT3 O ATOM 47276 H1 TIP3 8900 52.746 88.051 51.357 1.00 0.00 WT3 H ATOM 47277 H2 TIP3 8900 51.581 88.773 52.001 1.00 0.00 WT3 H ATOM 47278 OH2 TIP3 8901 34.477 10.017 3.831 1.00 0.00 WT3 O ATOM 47279 H1 TIP3 8901 34.703 10.328 2.955 1.00 0.00 WT3 H ATOM 47280 H2 TIP3 8901 33.520 10.020 3.847 1.00 0.00 WT3 H ATOM 47281 OH2 TIP3 8902 49.756 39.759 29.321 1.00 0.00 WT3 O ATOM 47282 H1 TIP3 8902 49.991 40.198 28.503 1.00 0.00 WT3 H ATOM 47283 H2 TIP3 8902 49.168 39.053 29.054 1.00 0.00 WT3 H ATOM 47284 OH2 TIP3 8903 66.064 41.069 -2.902 1.00 0.00 WT3 O ATOM 47285 H1 TIP3 8903 66.674 41.525 -2.322 1.00 0.00 WT3 H ATOM 47286 H2 TIP3 8903 65.455 41.748 -3.192 1.00 0.00 WT3 H ATOM 47287 OH2 TIP3 8904 86.818 61.627 50.140 1.00 0.00 WT3 O ATOM 47288 H1 TIP3 8904 86.708 62.420 49.616 1.00 0.00 WT3 H ATOM 47289 H2 TIP3 8904 86.431 61.844 50.988 1.00 0.00 WT3 H ATOM 47290 OH2 TIP3 8905 77.150 3.624 10.220 1.00 0.00 WT3 O ATOM 47291 H1 TIP3 8905 76.203 3.577 10.350 1.00 0.00 WT3 H ATOM 47292 H2 TIP3 8905 77.490 2.838 10.646 1.00 0.00 WT3 H ATOM 47293 OH2 TIP3 8907 79.892 51.315 -3.052 1.00 0.00 WT3 O ATOM 47294 H1 TIP3 8907 80.240 51.809 -3.795 1.00 0.00 WT3 H ATOM 47295 H2 TIP3 8907 79.720 51.978 -2.383 1.00 0.00 WT3 H ATOM 47296 OH2 TIP3 8910 58.323 73.516 1.892 1.00 0.00 WT3 O ATOM 47297 H1 TIP3 8910 58.096 74.086 2.627 1.00 0.00 WT3 H ATOM 47298 H2 TIP3 8910 58.186 72.629 2.225 1.00 0.00 WT3 H ATOM 47299 OH2 TIP3 8911 78.120 26.041 3.178 1.00 0.00 WT3 O ATOM 47300 H1 TIP3 8911 78.540 26.096 4.037 1.00 0.00 WT3 H ATOM 47301 H2 TIP3 8911 78.326 25.159 2.867 1.00 0.00 WT3 H ATOM 47302 OH2 TIP3 8912 73.440 21.994 -16.348 1.00 0.00 WT3 O ATOM 47303 H1 TIP3 8912 72.928 21.282 -16.732 1.00 0.00 WT3 H ATOM 47304 H2 TIP3 8912 73.489 22.654 -17.039 1.00 0.00 WT3 H ATOM 47305 OH2 TIP3 8913 47.841 59.146 -15.279 1.00 0.00 WT3 O ATOM 47306 H1 TIP3 8913 48.152 59.589 -14.490 1.00 0.00 WT3 H ATOM 47307 H2 TIP3 8913 47.966 59.787 -15.980 1.00 0.00 WT3 H ATOM 47308 OH2 TIP3 8914 68.326 93.919 -10.066 1.00 0.00 WT3 O ATOM 47309 H1 TIP3 8914 67.753 94.673 -10.205 1.00 0.00 WT3 H ATOM 47310 H2 TIP3 8914 68.080 93.300 -10.754 1.00 0.00 WT3 H ATOM 47311 OH2 TIP3 8915 26.105 77.990 13.132 1.00 0.00 WT3 O ATOM 47312 H1 TIP3 8915 26.911 78.501 13.199 1.00 0.00 WT3 H ATOM 47313 H2 TIP3 8915 25.828 77.858 14.039 1.00 0.00 WT3 H ATOM 47314 OH2 TIP3 8917 76.638 81.074 51.299 1.00 0.00 WT3 O ATOM 47315 H1 TIP3 8917 77.296 80.581 51.790 1.00 0.00 WT3 H ATOM 47316 H2 TIP3 8917 75.801 80.711 51.586 1.00 0.00 WT3 H ATOM 47317 OH2 TIP3 8918 84.112 78.548 28.447 1.00 0.00 WT3 O ATOM 47318 H1 TIP3 8918 83.157 78.584 28.391 1.00 0.00 WT3 H ATOM 47319 H2 TIP3 8918 84.399 78.372 27.551 1.00 0.00 WT3 H ATOM 47320 OH2 TIP3 8919 33.254 76.705 2.188 1.00 0.00 WT3 O ATOM 47321 H1 TIP3 8919 32.354 76.654 1.867 1.00 0.00 WT3 H ATOM 47322 H2 TIP3 8919 33.795 76.601 1.405 1.00 0.00 WT3 H ATOM 47323 OH2 TIP3 8920 32.076 58.757 41.318 1.00 0.00 WT3 O ATOM 47324 H1 TIP3 8920 32.886 59.151 41.642 1.00 0.00 WT3 H ATOM 47325 H2 TIP3 8920 32.287 58.468 40.430 1.00 0.00 WT3 H ATOM 47326 OH2 TIP3 8921 36.384 56.789 30.898 1.00 0.00 WT3 O ATOM 47327 H1 TIP3 8921 37.278 57.036 31.133 1.00 0.00 WT3 H ATOM 47328 H2 TIP3 8921 36.300 57.040 29.978 1.00 0.00 WT3 H ATOM 47329 OH2 TIP3 8922 38.048 64.416 33.832 1.00 0.00 WT3 O ATOM 47330 H1 TIP3 8922 38.563 64.473 34.636 1.00 0.00 WT3 H ATOM 47331 H2 TIP3 8922 38.698 64.316 33.136 1.00 0.00 WT3 H ATOM 47332 OH2 TIP3 8923 26.356 80.432 41.441 1.00 0.00 WT3 O ATOM 47333 H1 TIP3 8923 26.010 79.605 41.106 1.00 0.00 WT3 H ATOM 47334 H2 TIP3 8923 25.756 80.675 42.147 1.00 0.00 WT3 H ATOM 47335 OH2 TIP3 8924 40.755 78.125 -15.625 1.00 0.00 WT3 O ATOM 47336 H1 TIP3 8924 40.944 77.188 -15.660 1.00 0.00 WT3 H ATOM 47337 H2 TIP3 8924 40.779 78.341 -14.693 1.00 0.00 WT3 H ATOM 47338 OH2 TIP3 8926 29.460 93.220 3.540 1.00 0.00 WT3 O ATOM 47339 H1 TIP3 8926 29.646 92.800 2.700 1.00 0.00 WT3 H ATOM 47340 H2 TIP3 8926 29.964 92.714 4.178 1.00 0.00 WT3 H ATOM 47341 OH2 TIP3 8927 86.007 38.960 -9.370 1.00 0.00 WT3 O ATOM 47342 H1 TIP3 8927 86.706 39.531 -9.052 1.00 0.00 WT3 H ATOM 47343 H2 TIP3 8927 85.285 39.100 -8.757 1.00 0.00 WT3 H ATOM 47344 OH2 TIP3 8928 46.281 78.374 65.543 1.00 0.00 WT3 O ATOM 47345 H1 TIP3 8928 47.163 78.088 65.305 1.00 0.00 WT3 H ATOM 47346 H2 TIP3 8928 45.700 77.802 65.042 1.00 0.00 WT3 H ATOM 47347 OH2 TIP3 8929 60.112 34.515 15.891 1.00 0.00 WT3 O ATOM 47348 H1 TIP3 8929 59.807 35.420 15.823 1.00 0.00 WT3 H ATOM 47349 H2 TIP3 8929 59.311 33.992 15.900 1.00 0.00 WT3 H ATOM 47350 OH2 TIP3 8930 32.131 77.995 32.126 1.00 0.00 WT3 O ATOM 47351 H1 TIP3 8930 32.833 78.489 31.702 1.00 0.00 WT3 H ATOM 47352 H2 TIP3 8930 32.552 77.188 32.424 1.00 0.00 WT3 H ATOM 47353 OH2 TIP3 8931 57.257 48.226 55.928 1.00 0.00 WT3 O ATOM 47354 H1 TIP3 8931 57.318 47.889 55.035 1.00 0.00 WT3 H ATOM 47355 H2 TIP3 8931 57.425 49.165 55.843 1.00 0.00 WT3 H ATOM 47356 OH2 TIP3 8932 41.468 91.981 25.399 1.00 0.00 WT3 O ATOM 47357 H1 TIP3 8932 40.550 91.717 25.349 1.00 0.00 WT3 H ATOM 47358 H2 TIP3 8932 41.441 92.937 25.437 1.00 0.00 WT3 H ATOM 47359 OH2 TIP3 8933 46.459 26.731 31.122 1.00 0.00 WT3 O ATOM 47360 H1 TIP3 8933 46.309 26.219 30.328 1.00 0.00 WT3 H ATOM 47361 H2 TIP3 8933 45.769 26.449 31.723 1.00 0.00 WT3 H ATOM 47362 OH2 TIP3 8934 69.113 92.683 25.787 1.00 0.00 WT3 O ATOM 47363 H1 TIP3 8934 69.883 92.128 25.912 1.00 0.00 WT3 H ATOM 47364 H2 TIP3 8934 68.837 92.511 24.886 1.00 0.00 WT3 H ATOM 47365 OH2 TIP3 8935 32.684 58.021 -2.259 1.00 0.00 WT3 O ATOM 47366 H1 TIP3 8935 33.641 58.026 -2.271 1.00 0.00 WT3 H ATOM 47367 H2 TIP3 8935 32.444 57.140 -2.547 1.00 0.00 WT3 H ATOM 47368 OH2 TIP3 8936 55.896 84.664 65.150 1.00 0.00 WT3 O ATOM 47369 H1 TIP3 8936 55.631 85.509 65.515 1.00 0.00 WT3 H ATOM 47370 H2 TIP3 8936 55.476 84.016 65.717 1.00 0.00 WT3 H ATOM 47371 OH2 TIP3 8937 76.016 13.984 43.503 1.00 0.00 WT3 O ATOM 47372 H1 TIP3 8937 76.333 13.260 42.963 1.00 0.00 WT3 H ATOM 47373 H2 TIP3 8937 75.186 14.238 43.100 1.00 0.00 WT3 H ATOM 47374 OH2 TIP3 8938 21.657 32.749 48.027 1.00 0.00 WT3 O ATOM 47375 H1 TIP3 8938 22.246 32.102 47.640 1.00 0.00 WT3 H ATOM 47376 H2 TIP3 8938 21.867 33.566 47.575 1.00 0.00 WT3 H ATOM 47377 OH2 TIP3 8939 39.341 1.969 9.141 1.00 0.00 WT3 O ATOM 47378 H1 TIP3 8939 39.562 1.653 10.017 1.00 0.00 WT3 H ATOM 47379 H2 TIP3 8939 39.320 1.179 8.600 1.00 0.00 WT3 H ATOM 47380 OH2 TIP3 8940 45.227 70.245 -10.918 1.00 0.00 WT3 O ATOM 47381 H1 TIP3 8940 45.277 70.799 -10.139 1.00 0.00 WT3 H ATOM 47382 H2 TIP3 8940 44.589 69.569 -10.692 1.00 0.00 WT3 H ATOM 47383 OH2 TIP3 8941 50.772 92.391 65.722 1.00 0.00 WT3 O ATOM 47384 H1 TIP3 8941 50.562 91.472 65.554 1.00 0.00 WT3 H ATOM 47385 H2 TIP3 8941 51.612 92.365 66.181 1.00 0.00 WT3 H ATOM 47386 OH2 TIP3 8942 50.811 6.585 37.037 1.00 0.00 WT3 O ATOM 47387 H1 TIP3 8942 50.880 5.778 37.548 1.00 0.00 WT3 H ATOM 47388 H2 TIP3 8942 51.716 6.816 36.829 1.00 0.00 WT3 H ATOM 47389 OH2 TIP3 8943 29.208 25.158 -1.445 1.00 0.00 WT3 O ATOM 47390 H1 TIP3 8943 29.472 24.333 -1.853 1.00 0.00 WT3 H ATOM 47391 H2 TIP3 8943 28.446 25.442 -1.949 1.00 0.00 WT3 H ATOM 47392 OH2 TIP3 8944 37.813 95.219 36.717 1.00 0.00 WT3 O ATOM 47393 H1 TIP3 8944 37.987 94.280 36.656 1.00 0.00 WT3 H ATOM 47394 H2 TIP3 8944 37.641 95.490 35.815 1.00 0.00 WT3 H ATOM 47395 OH2 TIP3 8945 69.451 2.447 -17.634 1.00 0.00 WT3 O ATOM 47396 H1 TIP3 8945 68.540 2.265 -17.406 1.00 0.00 WT3 H ATOM 47397 H2 TIP3 8945 69.909 2.471 -16.794 1.00 0.00 WT3 H ATOM 47398 OH2 TIP3 8946 38.993 2.570 42.951 1.00 0.00 WT3 O ATOM 47399 H1 TIP3 8946 39.537 3.350 43.059 1.00 0.00 WT3 H ATOM 47400 H2 TIP3 8946 38.982 2.415 42.006 1.00 0.00 WT3 H ATOM 47401 OH2 TIP3 8947 46.362 44.156 -13.606 1.00 0.00 WT3 O ATOM 47402 H1 TIP3 8947 46.890 44.753 -13.077 1.00 0.00 WT3 H ATOM 47403 H2 TIP3 8947 46.941 43.413 -13.779 1.00 0.00 WT3 H ATOM 47404 OH2 TIP3 8948 46.210 72.348 -17.801 1.00 0.00 WT3 O ATOM 47405 H1 TIP3 8948 45.761 71.581 -17.445 1.00 0.00 WT3 H ATOM 47406 H2 TIP3 8948 46.857 71.988 -18.407 1.00 0.00 WT3 H ATOM 47407 OH2 TIP3 8949 43.428 94.020 0.364 1.00 0.00 WT3 O ATOM 47408 H1 TIP3 8949 42.706 93.825 0.962 1.00 0.00 WT3 H ATOM 47409 H2 TIP3 8949 43.019 94.497 -0.358 1.00 0.00 WT3 H ATOM 47410 OH2 TIP3 8951 26.762 79.208 -18.081 1.00 0.00 WT3 O ATOM 47411 H1 TIP3 8951 26.849 80.150 -17.935 1.00 0.00 WT3 H ATOM 47412 H2 TIP3 8951 26.106 78.926 -17.444 1.00 0.00 WT3 H ATOM 47413 OH2 TIP3 8952 26.595 71.940 30.691 1.00 0.00 WT3 O ATOM 47414 H1 TIP3 8952 27.079 71.118 30.770 1.00 0.00 WT3 H ATOM 47415 H2 TIP3 8952 26.917 72.479 31.413 1.00 0.00 WT3 H ATOM 47416 OH2 TIP3 8953 54.206 5.495 24.328 1.00 0.00 WT3 O ATOM 47417 H1 TIP3 8953 53.364 5.172 24.008 1.00 0.00 WT3 H ATOM 47418 H2 TIP3 8953 54.219 6.420 24.079 1.00 0.00 WT3 H ATOM 47419 OH2 TIP3 8954 61.491 5.657 0.562 1.00 0.00 WT3 O ATOM 47420 H1 TIP3 8954 60.837 6.350 0.468 1.00 0.00 WT3 H ATOM 47421 H2 TIP3 8954 61.954 5.650 -0.276 1.00 0.00 WT3 H ATOM 47422 OH2 TIP3 8956 36.521 92.816 33.960 1.00 0.00 WT3 O ATOM 47423 H1 TIP3 8956 35.777 92.609 34.525 1.00 0.00 WT3 H ATOM 47424 H2 TIP3 8956 37.232 93.022 34.567 1.00 0.00 WT3 H ATOM 47425 OH2 TIP3 8958 75.022 82.256 61.829 1.00 0.00 WT3 O ATOM 47426 H1 TIP3 8958 75.599 82.972 61.565 1.00 0.00 WT3 H ATOM 47427 H2 TIP3 8958 74.141 82.625 61.774 1.00 0.00 WT3 H ATOM 47428 OH2 TIP3 8959 56.460 88.983 33.057 1.00 0.00 WT3 O ATOM 47429 H1 TIP3 8959 55.795 89.671 33.091 1.00 0.00 WT3 H ATOM 47430 H2 TIP3 8959 56.126 88.299 33.638 1.00 0.00 WT3 H ATOM 47431 OH2 TIP3 8960 31.709 81.853 49.784 1.00 0.00 WT3 O ATOM 47432 H1 TIP3 8960 32.439 82.095 49.214 1.00 0.00 WT3 H ATOM 47433 H2 TIP3 8960 31.655 80.900 49.713 1.00 0.00 WT3 H ATOM 47434 OH2 TIP3 8961 32.107 72.156 47.402 1.00 0.00 WT3 O ATOM 47435 H1 TIP3 8961 32.260 73.087 47.241 1.00 0.00 WT3 H ATOM 47436 H2 TIP3 8961 32.958 71.744 47.254 1.00 0.00 WT3 H ATOM 47437 OH2 TIP3 8962 75.344 43.361 47.878 1.00 0.00 WT3 O ATOM 47438 H1 TIP3 8962 76.207 43.752 47.741 1.00 0.00 WT3 H ATOM 47439 H2 TIP3 8962 75.230 43.357 48.828 1.00 0.00 WT3 H ATOM 47440 OH2 TIP3 8965 29.962 80.174 7.148 1.00 0.00 WT3 O ATOM 47441 H1 TIP3 8965 29.343 80.279 7.871 1.00 0.00 WT3 H ATOM 47442 H2 TIP3 8965 30.562 79.489 7.444 1.00 0.00 WT3 H ATOM 47443 OH2 TIP3 8966 63.422 4.498 3.142 1.00 0.00 WT3 O ATOM 47444 H1 TIP3 8966 63.334 3.683 3.637 1.00 0.00 WT3 H ATOM 47445 H2 TIP3 8966 62.563 4.627 2.739 1.00 0.00 WT3 H ATOM 47446 OH2 TIP3 8969 36.051 88.235 65.318 1.00 0.00 WT3 O ATOM 47447 H1 TIP3 8969 36.789 88.281 64.711 1.00 0.00 WT3 H ATOM 47448 H2 TIP3 8969 35.704 87.350 65.207 1.00 0.00 WT3 H ATOM 47449 OH2 TIP3 8970 77.877 86.181 47.266 1.00 0.00 WT3 O ATOM 47450 H1 TIP3 8970 78.577 85.740 47.747 1.00 0.00 WT3 H ATOM 47451 H2 TIP3 8970 78.328 86.829 46.725 1.00 0.00 WT3 H ATOM 47452 OH2 TIP3 8971 89.938 83.557 31.334 1.00 0.00 WT3 O ATOM 47453 H1 TIP3 8971 90.139 84.458 31.587 1.00 0.00 WT3 H ATOM 47454 H2 TIP3 8971 89.491 83.638 30.492 1.00 0.00 WT3 H ATOM 47455 OH2 TIP3 8972 55.645 32.009 -12.708 1.00 0.00 WT3 O ATOM 47456 H1 TIP3 8972 56.018 31.129 -12.650 1.00 0.00 WT3 H ATOM 47457 H2 TIP3 8972 55.990 32.362 -13.527 1.00 0.00 WT3 H ATOM 47458 OH2 TIP3 8973 77.579 0.838 14.801 1.00 0.00 WT3 O ATOM 47459 H1 TIP3 8973 77.235 -0.050 14.895 1.00 0.00 WT3 H ATOM 47460 H2 TIP3 8973 77.895 0.879 13.898 1.00 0.00 WT3 H ATOM 47461 OH2 TIP3 8974 24.294 13.754 54.006 1.00 0.00 WT3 O ATOM 47462 H1 TIP3 8974 23.433 14.122 53.806 1.00 0.00 WT3 H ATOM 47463 H2 TIP3 8974 24.400 13.038 53.380 1.00 0.00 WT3 H ATOM 47464 OH2 TIP3 8975 36.767 43.354 17.662 1.00 0.00 WT3 O ATOM 47465 H1 TIP3 8975 37.062 42.450 17.554 1.00 0.00 WT3 H ATOM 47466 H2 TIP3 8975 37.491 43.884 17.327 1.00 0.00 WT3 H ATOM 47467 OH2 TIP3 8976 39.698 87.068 38.626 1.00 0.00 WT3 O ATOM 47468 H1 TIP3 8976 39.934 87.995 38.658 1.00 0.00 WT3 H ATOM 47469 H2 TIP3 8976 40.445 86.616 39.020 1.00 0.00 WT3 H ATOM 47470 OH2 TIP3 8977 36.250 88.654 -5.501 1.00 0.00 WT3 O ATOM 47471 H1 TIP3 8977 36.628 88.447 -4.647 1.00 0.00 WT3 H ATOM 47472 H2 TIP3 8977 35.511 88.052 -5.590 1.00 0.00 WT3 H ATOM 47473 OH2 TIP3 8978 30.309 13.654 -15.459 1.00 0.00 WT3 O ATOM 47474 H1 TIP3 8978 30.917 13.302 -14.809 1.00 0.00 WT3 H ATOM 47475 H2 TIP3 8978 30.803 14.345 -15.900 1.00 0.00 WT3 H ATOM 47476 OH2 TIP3 8979 66.631 68.262 37.799 1.00 0.00 WT3 O ATOM 47477 H1 TIP3 8979 65.871 68.076 38.350 1.00 0.00 WT3 H ATOM 47478 H2 TIP3 8979 66.386 69.049 37.311 1.00 0.00 WT3 H ATOM 47479 OH2 TIP3 8980 90.083 25.833 62.393 1.00 0.00 WT3 O ATOM 47480 H1 TIP3 8980 89.462 26.075 63.080 1.00 0.00 WT3 H ATOM 47481 H2 TIP3 8980 90.941 26.049 62.758 1.00 0.00 WT3 H ATOM 47482 OH2 TIP3 8981 77.244 90.761 19.855 1.00 0.00 WT3 O ATOM 47483 H1 TIP3 8981 76.321 90.751 20.109 1.00 0.00 WT3 H ATOM 47484 H2 TIP3 8981 77.718 90.592 20.670 1.00 0.00 WT3 H ATOM 47485 OH2 TIP3 8982 76.374 70.944 27.590 1.00 0.00 WT3 O ATOM 47486 H1 TIP3 8982 76.447 70.260 26.924 1.00 0.00 WT3 H ATOM 47487 H2 TIP3 8982 75.450 70.938 27.839 1.00 0.00 WT3 H ATOM 47488 OH2 TIP3 8983 57.599 3.480 9.823 1.00 0.00 WT3 O ATOM 47489 H1 TIP3 8983 57.119 3.234 9.032 1.00 0.00 WT3 H ATOM 47490 H2 TIP3 8983 58.473 3.111 9.698 1.00 0.00 WT3 H ATOM 47491 OH2 TIP3 8984 68.527 50.995 33.250 1.00 0.00 WT3 O ATOM 47492 H1 TIP3 8984 69.046 51.794 33.343 1.00 0.00 WT3 H ATOM 47493 H2 TIP3 8984 67.644 51.305 33.046 1.00 0.00 WT3 H ATOM 47494 OH2 TIP3 8985 75.851 28.076 65.478 1.00 0.00 WT3 O ATOM 47495 H1 TIP3 8985 75.142 28.390 66.040 1.00 0.00 WT3 H ATOM 47496 H2 TIP3 8985 75.616 28.380 64.602 1.00 0.00 WT3 H ATOM 47497 OH2 TIP3 8986 74.350 30.064 5.851 1.00 0.00 WT3 O ATOM 47498 H1 TIP3 8986 73.898 30.515 6.565 1.00 0.00 WT3 H ATOM 47499 H2 TIP3 8986 74.654 29.244 6.240 1.00 0.00 WT3 H ATOM 47500 OH2 TIP3 8987 23.593 7.408 54.241 1.00 0.00 WT3 O ATOM 47501 H1 TIP3 8987 24.523 7.515 54.443 1.00 0.00 WT3 H ATOM 47502 H2 TIP3 8987 23.403 6.497 54.462 1.00 0.00 WT3 H ATOM 47503 OH2 TIP3 8988 56.656 94.167 2.742 1.00 0.00 WT3 O ATOM 47504 H1 TIP3 8988 55.802 94.507 3.009 1.00 0.00 WT3 H ATOM 47505 H2 TIP3 8988 57.053 93.852 3.554 1.00 0.00 WT3 H ATOM 47506 OH2 TIP3 8992 31.952 72.714 36.436 1.00 0.00 WT3 O ATOM 47507 H1 TIP3 8992 31.401 71.968 36.200 1.00 0.00 WT3 H ATOM 47508 H2 TIP3 8992 32.820 72.336 36.576 1.00 0.00 WT3 H ATOM 47509 OH2 TIP3 8993 79.704 76.988 53.794 1.00 0.00 WT3 O ATOM 47510 H1 TIP3 8993 80.130 76.192 53.479 1.00 0.00 WT3 H ATOM 47511 H2 TIP3 8993 78.795 76.904 53.506 1.00 0.00 WT3 H ATOM 47512 OH2 TIP3 8995 51.665 87.146 43.952 1.00 0.00 WT3 O ATOM 47513 H1 TIP3 8995 50.773 87.179 44.297 1.00 0.00 WT3 H ATOM 47514 H2 TIP3 8995 52.053 87.983 44.208 1.00 0.00 WT3 H ATOM 47515 OH2 TIP3 8996 86.290 26.906 38.604 1.00 0.00 WT3 O ATOM 47516 H1 TIP3 8996 86.575 27.199 39.469 1.00 0.00 WT3 H ATOM 47517 H2 TIP3 8996 85.436 26.502 38.756 1.00 0.00 WT3 H ATOM 47518 OH2 TIP3 8997 31.762 8.522 47.825 1.00 0.00 WT3 O ATOM 47519 H1 TIP3 8997 31.733 8.840 48.727 1.00 0.00 WT3 H ATOM 47520 H2 TIP3 8997 32.604 8.072 47.756 1.00 0.00 WT3 H ATOM 47521 OH2 TIP3 8998 69.598 21.262 -14.190 1.00 0.00 WT3 O ATOM 47522 H1 TIP3 8998 69.898 20.584 -13.585 1.00 0.00 WT3 H ATOM 47523 H2 TIP3 8998 69.823 22.086 -13.759 1.00 0.00 WT3 H ATOM 47524 OH2 TIP3 9001 27.890 46.756 13.208 1.00 0.00 WT3 O ATOM 47525 H1 TIP3 9001 28.123 46.699 14.135 1.00 0.00 WT3 H ATOM 47526 H2 TIP3 9001 27.485 45.912 13.010 1.00 0.00 WT3 H ATOM 47527 OH2 TIP3 9003 82.194 32.597 24.440 1.00 0.00 WT3 O ATOM 47528 H1 TIP3 9003 81.304 32.395 24.151 1.00 0.00 WT3 H ATOM 47529 H2 TIP3 9003 82.264 32.187 25.303 1.00 0.00 WT3 H ATOM 47530 OH2 TIP3 9004 29.336 92.002 18.515 1.00 0.00 WT3 O ATOM 47531 H1 TIP3 9004 30.122 91.636 18.109 1.00 0.00 WT3 H ATOM 47532 H2 TIP3 9004 28.649 91.362 18.330 1.00 0.00 WT3 H ATOM 47533 OH2 TIP3 9006 54.547 21.820 32.897 1.00 0.00 WT3 O ATOM 47534 H1 TIP3 9006 55.215 22.031 32.244 1.00 0.00 WT3 H ATOM 47535 H2 TIP3 9006 54.148 21.010 32.579 1.00 0.00 WT3 H ATOM 47536 OH2 TIP3 9008 64.626 30.416 -18.618 1.00 0.00 WT3 O ATOM 47537 H1 TIP3 9008 63.915 30.999 -18.884 1.00 0.00 WT3 H ATOM 47538 H2 TIP3 9008 64.246 29.538 -18.660 1.00 0.00 WT3 H ATOM 47539 OH2 TIP3 9009 22.095 58.297 27.047 1.00 0.00 WT3 O ATOM 47540 H1 TIP3 9009 22.550 59.097 27.311 1.00 0.00 WT3 H ATOM 47541 H2 TIP3 9009 22.395 58.135 26.153 1.00 0.00 WT3 H ATOM 47542 OH2 TIP3 9010 62.680 28.586 -19.339 1.00 0.00 WT3 O ATOM 47543 H1 TIP3 9010 61.824 28.994 -19.207 1.00 0.00 WT3 H ATOM 47544 H2 TIP3 9010 62.554 27.675 -19.075 1.00 0.00 WT3 H ATOM 47545 OH2 TIP3 9014 53.907 24.391 -7.199 1.00 0.00 WT3 O ATOM 47546 H1 TIP3 9014 53.666 24.984 -6.488 1.00 0.00 WT3 H ATOM 47547 H2 TIP3 9014 53.285 23.667 -7.129 1.00 0.00 WT3 H ATOM 47548 OH2 TIP3 9015 83.137 53.477 17.241 1.00 0.00 WT3 O ATOM 47549 H1 TIP3 9015 83.026 52.997 16.420 1.00 0.00 WT3 H ATOM 47550 H2 TIP3 9015 83.512 52.836 17.845 1.00 0.00 WT3 H ATOM 47551 OH2 TIP3 9017 25.192 80.169 20.573 1.00 0.00 WT3 O ATOM 47552 H1 TIP3 9017 24.368 79.804 20.252 1.00 0.00 WT3 H ATOM 47553 H2 TIP3 9017 24.939 80.717 21.316 1.00 0.00 WT3 H ATOM 47554 OH2 TIP3 9018 23.380 38.541 64.900 1.00 0.00 WT3 O ATOM 47555 H1 TIP3 9018 24.075 37.953 64.604 1.00 0.00 WT3 H ATOM 47556 H2 TIP3 9018 23.834 39.213 65.408 1.00 0.00 WT3 H ATOM 47557 OH2 TIP3 9019 60.696 9.733 0.414 1.00 0.00 WT3 O ATOM 47558 H1 TIP3 9019 60.748 10.111 -0.464 1.00 0.00 WT3 H ATOM 47559 H2 TIP3 9019 61.589 9.446 0.605 1.00 0.00 WT3 H ATOM 47560 OH2 TIP3 9020 32.950 62.690 66.071 1.00 0.00 WT3 O ATOM 47561 H1 TIP3 9020 32.415 62.116 65.524 1.00 0.00 WT3 H ATOM 47562 H2 TIP3 9020 32.540 62.648 66.935 1.00 0.00 WT3 H ATOM 47563 OH2 TIP3 9022 71.488 49.778 35.403 1.00 0.00 WT3 O ATOM 47564 H1 TIP3 9022 70.899 50.422 35.794 1.00 0.00 WT3 H ATOM 47565 H2 TIP3 9022 70.917 49.218 34.877 1.00 0.00 WT3 H ATOM 47566 OH2 TIP3 9023 60.009 8.589 42.825 1.00 0.00 WT3 O ATOM 47567 H1 TIP3 9023 59.269 8.592 42.218 1.00 0.00 WT3 H ATOM 47568 H2 TIP3 9023 59.620 8.382 43.675 1.00 0.00 WT3 H ATOM 47569 OH2 TIP3 9024 39.070 45.523 19.526 1.00 0.00 WT3 O ATOM 47570 H1 TIP3 9024 39.884 46.021 19.456 1.00 0.00 WT3 H ATOM 47571 H2 TIP3 9024 39.238 44.884 20.219 1.00 0.00 WT3 H ATOM 47572 OH2 TIP3 9026 26.059 95.626 46.658 1.00 0.00 WT3 O ATOM 47573 H1 TIP3 9026 26.442 94.972 46.074 1.00 0.00 WT3 H ATOM 47574 H2 TIP3 9026 26.563 95.549 47.468 1.00 0.00 WT3 H ATOM 47575 OH2 TIP3 9027 61.160 54.081 20.251 1.00 0.00 WT3 O ATOM 47576 H1 TIP3 9027 61.434 54.103 19.335 1.00 0.00 WT3 H ATOM 47577 H2 TIP3 9027 60.498 54.770 20.320 1.00 0.00 WT3 H ATOM 47578 OH2 TIP3 9030 40.109 79.079 22.808 1.00 0.00 WT3 O ATOM 47579 H1 TIP3 9030 40.421 78.211 23.065 1.00 0.00 WT3 H ATOM 47580 H2 TIP3 9030 39.535 78.915 22.059 1.00 0.00 WT3 H ATOM 47581 OH2 TIP3 9039 86.715 80.181 46.657 1.00 0.00 WT3 O ATOM 47582 H1 TIP3 9039 87.475 80.610 46.264 1.00 0.00 WT3 H ATOM 47583 H2 TIP3 9039 86.518 79.455 46.065 1.00 0.00 WT3 H ATOM 47584 OH2 TIP3 9041 39.191 78.550 35.258 1.00 0.00 WT3 O ATOM 47585 H1 TIP3 9041 39.385 77.630 35.081 1.00 0.00 WT3 H ATOM 47586 H2 TIP3 9041 38.965 78.916 34.403 1.00 0.00 WT3 H ATOM 47587 OH2 TIP3 9042 87.771 90.408 25.673 1.00 0.00 WT3 O ATOM 47588 H1 TIP3 9042 86.977 90.135 26.131 1.00 0.00 WT3 H ATOM 47589 H2 TIP3 9042 87.714 91.363 25.640 1.00 0.00 WT3 H ATOM 47590 OH2 TIP3 9047 40.892 20.280 66.707 1.00 0.00 WT3 O ATOM 47591 H1 TIP3 9047 41.471 19.854 66.075 1.00 0.00 WT3 H ATOM 47592 H2 TIP3 9047 40.072 20.410 66.231 1.00 0.00 WT3 H ATOM 47593 OH2 TIP3 9050 31.526 82.381 1.507 1.00 0.00 WT3 O ATOM 47594 H1 TIP3 9050 31.630 81.482 1.821 1.00 0.00 WT3 H ATOM 47595 H2 TIP3 9050 31.731 82.334 0.573 1.00 0.00 WT3 H ATOM 47596 OH2 TIP3 9053 34.291 83.598 53.107 1.00 0.00 WT3 O ATOM 47597 H1 TIP3 9053 33.393 83.360 52.875 1.00 0.00 WT3 H ATOM 47598 H2 TIP3 9053 34.571 84.189 52.409 1.00 0.00 WT3 H ATOM 47599 OH2 TIP3 9054 46.654 57.571 1.994 1.00 0.00 WT3 O ATOM 47600 H1 TIP3 9054 47.505 57.588 2.433 1.00 0.00 WT3 H ATOM 47601 H2 TIP3 9054 46.091 57.067 2.582 1.00 0.00 WT3 H ATOM 47602 OH2 TIP3 9055 63.620 3.346 26.420 1.00 0.00 WT3 O ATOM 47603 H1 TIP3 9055 64.296 3.549 27.066 1.00 0.00 WT3 H ATOM 47604 H2 TIP3 9055 64.043 2.739 25.812 1.00 0.00 WT3 H ATOM 47605 OH2 TIP3 9057 60.829 60.302 42.658 1.00 0.00 WT3 O ATOM 47606 H1 TIP3 9057 60.894 61.256 42.686 1.00 0.00 WT3 H ATOM 47607 H2 TIP3 9057 59.932 60.131 42.372 1.00 0.00 WT3 H ATOM 47608 OH2 TIP3 9060 32.510 5.341 22.675 1.00 0.00 WT3 O ATOM 47609 H1 TIP3 9060 31.637 5.726 22.748 1.00 0.00 WT3 H ATOM 47610 H2 TIP3 9060 33.102 6.092 22.653 1.00 0.00 WT3 H ATOM 47611 OH2 TIP3 9061 84.228 42.613 0.697 1.00 0.00 WT3 O ATOM 47612 H1 TIP3 9061 83.749 43.402 0.949 1.00 0.00 WT3 H ATOM 47613 H2 TIP3 9061 84.817 42.444 1.433 1.00 0.00 WT3 H ATOM 47614 OH2 TIP3 9063 66.953 33.648 8.480 1.00 0.00 WT3 O ATOM 47615 H1 TIP3 9063 66.245 34.286 8.564 1.00 0.00 WT3 H ATOM 47616 H2 TIP3 9063 67.747 34.178 8.407 1.00 0.00 WT3 H ATOM 47617 OH2 TIP3 9066 39.994 7.490 -2.676 1.00 0.00 WT3 O ATOM 47618 H1 TIP3 9066 39.568 7.410 -1.822 1.00 0.00 WT3 H ATOM 47619 H2 TIP3 9066 40.270 6.599 -2.890 1.00 0.00 WT3 H ATOM 47620 OH2 TIP3 9067 81.360 18.689 66.550 1.00 0.00 WT3 O ATOM 47621 H1 TIP3 9067 81.452 18.066 65.830 1.00 0.00 WT3 H ATOM 47622 H2 TIP3 9067 81.180 18.145 67.317 1.00 0.00 WT3 H ATOM 47623 OH2 TIP3 9070 56.917 91.062 -2.968 1.00 0.00 WT3 O ATOM 47624 H1 TIP3 9070 57.201 91.753 -2.369 1.00 0.00 WT3 H ATOM 47625 H2 TIP3 9070 57.095 91.413 -3.840 1.00 0.00 WT3 H ATOM 47626 OH2 TIP3 9072 84.227 65.872 -12.648 1.00 0.00 WT3 O ATOM 47627 H1 TIP3 9072 84.379 66.111 -11.733 1.00 0.00 WT3 H ATOM 47628 H2 TIP3 9072 83.587 66.513 -12.960 1.00 0.00 WT3 H ATOM 47629 OH2 TIP3 9082 85.335 87.434 61.265 1.00 0.00 WT3 O ATOM 47630 H1 TIP3 9082 84.891 86.780 61.804 1.00 0.00 WT3 H ATOM 47631 H2 TIP3 9082 85.867 86.922 60.656 1.00 0.00 WT3 H ATOM 47632 OH2 TIP3 9084 56.601 7.491 60.578 1.00 0.00 WT3 O ATOM 47633 H1 TIP3 9084 56.004 7.138 61.237 1.00 0.00 WT3 H ATOM 47634 H2 TIP3 9084 57.068 6.726 60.242 1.00 0.00 WT3 H ATOM 47635 OH2 TIP3 9090 87.253 64.862 65.200 1.00 0.00 WT3 O ATOM 47636 H1 TIP3 9090 87.335 63.921 65.351 1.00 0.00 WT3 H ATOM 47637 H2 TIP3 9090 86.365 64.975 64.861 1.00 0.00 WT3 H ATOM 47638 OH2 TIP3 9094 61.516 77.260 25.185 1.00 0.00 WT3 O ATOM 47639 H1 TIP3 9094 61.341 77.096 24.258 1.00 0.00 WT3 H ATOM 47640 H2 TIP3 9094 60.649 77.301 25.588 1.00 0.00 WT3 H ATOM 47641 OH2 TIP3 9096 69.088 78.506 13.550 1.00 0.00 WT3 O ATOM 47642 H1 TIP3 9096 69.968 78.551 13.925 1.00 0.00 WT3 H ATOM 47643 H2 TIP3 9096 68.772 79.409 13.572 1.00 0.00 WT3 H ATOM 47644 OH2 TIP3 9109 62.093 55.996 52.431 1.00 0.00 WT3 O ATOM 47645 H1 TIP3 9109 61.673 55.150 52.585 1.00 0.00 WT3 H ATOM 47646 H2 TIP3 9109 62.966 55.775 52.105 1.00 0.00 WT3 H ATOM 47647 OH2 TIP3 9117 86.858 22.011 35.316 1.00 0.00 WT3 O ATOM 47648 H1 TIP3 9117 86.454 22.698 35.847 1.00 0.00 WT3 H ATOM 47649 H2 TIP3 9117 87.131 22.458 34.515 1.00 0.00 WT3 H ATOM 47650 OH2 TIP3 9129 75.299 59.493 -9.677 1.00 0.00 WT3 O ATOM 47651 H1 TIP3 9129 74.389 59.199 -9.633 1.00 0.00 WT3 H ATOM 47652 H2 TIP3 9129 75.322 60.094 -10.422 1.00 0.00 WT3 H ATOM 47653 OH2 TIP3 9137 66.289 40.021 20.439 1.00 0.00 WT3 O ATOM 47654 H1 TIP3 9137 65.687 40.162 21.170 1.00 0.00 WT3 H ATOM 47655 H2 TIP3 9137 65.950 39.243 19.996 1.00 0.00 WT3 H ATOM 47656 OH2 TIP3 9146 64.671 10.285 43.438 1.00 0.00 WT3 O ATOM 47657 H1 TIP3 9146 65.124 10.331 42.596 1.00 0.00 WT3 H ATOM 47658 H2 TIP3 9146 63.748 10.173 43.209 1.00 0.00 WT3 H ATOM 47659 OH2 TIP3 9151 45.665 79.319 15.161 1.00 0.00 WT3 O ATOM 47660 H1 TIP3 9151 45.233 78.616 14.676 1.00 0.00 WT3 H ATOM 47661 H2 TIP3 9151 44.965 79.720 15.676 1.00 0.00 WT3 H ATOM 47662 OH2 TIP3 9165 78.221 59.663 -14.001 1.00 0.00 WT3 O ATOM 47663 H1 TIP3 9165 77.923 60.467 -14.428 1.00 0.00 WT3 H ATOM 47664 H2 TIP3 9165 78.248 59.883 -13.070 1.00 0.00 WT3 H ATOM 47665 OH2 TIP3 9168 35.371 39.040 -5.461 1.00 0.00 WT3 O ATOM 47666 H1 TIP3 9168 35.948 39.756 -5.195 1.00 0.00 WT3 H ATOM 47667 H2 TIP3 9168 35.295 38.491 -4.681 1.00 0.00 WT3 H ATOM 47668 OH2 TIP3 9169 86.352 39.609 19.223 1.00 0.00 WT3 O ATOM 47669 H1 TIP3 9169 86.950 40.096 18.656 1.00 0.00 WT3 H ATOM 47670 H2 TIP3 9169 85.495 39.706 18.807 1.00 0.00 WT3 H ATOM 47671 OH2 TIP3 9178 90.292 43.099 44.323 1.00 0.00 WT3 O ATOM 47672 H1 TIP3 9178 89.823 43.617 43.669 1.00 0.00 WT3 H ATOM 47673 H2 TIP3 9178 90.172 43.581 45.141 1.00 0.00 WT3 H ATOM 47674 OH2 TIP3 9201 35.167 90.188 54.112 1.00 0.00 WT3 O ATOM 47675 H1 TIP3 9201 35.583 89.878 53.307 1.00 0.00 WT3 H ATOM 47676 H2 TIP3 9201 34.542 90.852 53.819 1.00 0.00 WT3 H ATOM 47677 OH2 TIP3 9210 34.030 35.208 25.811 1.00 0.00 WT3 O ATOM 47678 H1 TIP3 9210 34.743 35.844 25.873 1.00 0.00 WT3 H ATOM 47679 H2 TIP3 9210 34.387 34.498 25.278 1.00 0.00 WT3 H ATOM 47680 OH2 TIP3 9212 89.617 62.772 31.111 1.00 0.00 WT3 O ATOM 47681 H1 TIP3 9212 89.087 61.979 31.022 1.00 0.00 WT3 H ATOM 47682 H2 TIP3 9212 90.063 62.669 31.951 1.00 0.00 WT3 H ATOM 47683 OH2 TIP3 9214 76.769 56.865 40.475 1.00 0.00 WT3 O ATOM 47684 H1 TIP3 9214 76.171 57.353 41.041 1.00 0.00 WT3 H ATOM 47685 H2 TIP3 9214 76.254 56.119 40.169 1.00 0.00 WT3 H ATOM 47686 OH2 TIP3 9226 73.099 51.642 -3.973 1.00 0.00 WT3 O ATOM 47687 H1 TIP3 9226 72.968 51.001 -3.275 1.00 0.00 WT3 H ATOM 47688 H2 TIP3 9226 73.056 52.490 -3.530 1.00 0.00 WT3 H ATOM 47689 OH2 TIP3 9230 44.553 81.460 58.539 1.00 0.00 WT3 O ATOM 47690 H1 TIP3 9230 44.961 81.208 59.367 1.00 0.00 WT3 H ATOM 47691 H2 TIP3 9230 44.571 80.662 58.010 1.00 0.00 WT3 H ATOM 47692 OH2 TIP3 9231 48.906 1.989 -12.286 1.00 0.00 WT3 O ATOM 47693 H1 TIP3 9231 49.502 1.922 -13.032 1.00 0.00 WT3 H ATOM 47694 H2 TIP3 9231 48.297 1.259 -12.400 1.00 0.00 WT3 H ATOM 47695 OH2 TIP3 9234 84.188 78.523 16.187 1.00 0.00 WT3 O ATOM 47696 H1 TIP3 9234 83.255 78.337 16.297 1.00 0.00 WT3 H ATOM 47697 H2 TIP3 9234 84.574 78.323 17.040 1.00 0.00 WT3 H ATOM 47698 OH2 TIP3 9240 25.377 83.111 11.979 1.00 0.00 WT3 O ATOM 47699 H1 TIP3 9240 24.924 82.330 12.298 1.00 0.00 WT3 H ATOM 47700 H2 TIP3 9240 26.109 83.227 12.584 1.00 0.00 WT3 H ATOM 47701 OH2 TIP3 9241 30.860 64.175 51.976 1.00 0.00 WT3 O ATOM 47702 H1 TIP3 9241 30.750 63.607 51.213 1.00 0.00 WT3 H ATOM 47703 H2 TIP3 9241 31.762 64.488 51.915 1.00 0.00 WT3 H ATOM 47704 OH2 TIP3 9243 50.040 91.239 54.844 1.00 0.00 WT3 O ATOM 47705 H1 TIP3 9243 49.539 91.105 54.040 1.00 0.00 WT3 H ATOM 47706 H2 TIP3 9243 50.515 90.417 54.970 1.00 0.00 WT3 H ATOM 47707 OH2 TIP3 9246 82.572 62.790 15.867 1.00 0.00 WT3 O ATOM 47708 H1 TIP3 9246 82.292 61.912 15.606 1.00 0.00 WT3 H ATOM 47709 H2 TIP3 9246 83.524 62.724 15.946 1.00 0.00 WT3 H ATOM 47710 OH2 TIP3 9250 37.778 56.496 -0.898 1.00 0.00 WT3 O ATOM 47711 H1 TIP3 9250 38.475 56.911 -1.406 1.00 0.00 WT3 H ATOM 47712 H2 TIP3 9250 37.264 57.226 -0.554 1.00 0.00 WT3 H ATOM 47713 OH2 TIP3 9252 39.067 74.070 54.782 1.00 0.00 WT3 O ATOM 47714 H1 TIP3 9252 39.439 74.932 54.596 1.00 0.00 WT3 H ATOM 47715 H2 TIP3 9252 39.826 73.497 54.885 1.00 0.00 WT3 H ATOM 47716 OH2 TIP3 9253 64.607 36.176 22.111 1.00 0.00 WT3 O ATOM 47717 H1 TIP3 9253 64.137 36.577 22.842 1.00 0.00 WT3 H ATOM 47718 H2 TIP3 9253 63.978 35.565 21.727 1.00 0.00 WT3 H ATOM 47719 OH2 TIP3 9255 66.769 66.646 0.235 1.00 0.00 WT3 O ATOM 47720 H1 TIP3 9255 66.557 67.342 -0.386 1.00 0.00 WT3 H ATOM 47721 H2 TIP3 9255 67.583 66.934 0.650 1.00 0.00 WT3 H ATOM 47722 OH2 TIP3 9257 83.587 52.242 37.602 1.00 0.00 WT3 O ATOM 47723 H1 TIP3 9257 84.150 52.876 37.157 1.00 0.00 WT3 H ATOM 47724 H2 TIP3 9257 82.852 52.761 37.928 1.00 0.00 WT3 H ATOM 47725 OH2 TIP3 9260 71.420 17.158 50.194 1.00 0.00 WT3 O ATOM 47726 H1 TIP3 9260 71.376 18.002 49.744 1.00 0.00 WT3 H ATOM 47727 H2 TIP3 9260 70.980 17.310 51.031 1.00 0.00 WT3 H ATOM 47728 OH2 TIP3 9261 69.411 68.963 -14.265 1.00 0.00 WT3 O ATOM 47729 H1 TIP3 9261 69.379 68.055 -13.965 1.00 0.00 WT3 H ATOM 47730 H2 TIP3 9261 70.047 69.385 -13.687 1.00 0.00 WT3 H ATOM 47731 OH2 TIP3 4 64.946 54.934 27.308 1.00 0.00 WT4 O ATOM 47732 H1 TIP3 4 64.113 54.629 26.950 1.00 0.00 WT4 H ATOM 47733 H2 TIP3 4 64.893 55.889 27.260 1.00 0.00 WT4 H ATOM 47734 OH2 TIP3 5 32.265 38.091 4.526 1.00 0.00 WT4 O ATOM 47735 H1 TIP3 5 32.846 38.616 5.077 1.00 0.00 WT4 H ATOM 47736 H2 TIP3 5 32.452 37.186 4.774 1.00 0.00 WT4 H ATOM 47737 OH2 TIP3 7 42.829 7.156 -12.902 1.00 0.00 WT4 O ATOM 47738 H1 TIP3 7 43.144 7.459 -12.051 1.00 0.00 WT4 H ATOM 47739 H2 TIP3 7 42.894 7.924 -13.470 1.00 0.00 WT4 H ATOM 47740 OH2 TIP3 11 23.608 89.331 20.494 1.00 0.00 WT4 O ATOM 47741 H1 TIP3 11 22.672 89.394 20.305 1.00 0.00 WT4 H ATOM 47742 H2 TIP3 11 24.035 89.650 19.699 1.00 0.00 WT4 H ATOM 47743 OH2 TIP3 21 81.547 56.932 40.466 1.00 0.00 WT4 O ATOM 47744 H1 TIP3 21 82.259 57.501 40.758 1.00 0.00 WT4 H ATOM 47745 H2 TIP3 21 80.774 57.497 40.459 1.00 0.00 WT4 H ATOM 47746 OH2 TIP3 22 78.182 32.682 -8.507 1.00 0.00 WT4 O ATOM 47747 H1 TIP3 22 77.947 32.073 -7.808 1.00 0.00 WT4 H ATOM 47748 H2 TIP3 22 77.691 33.479 -8.307 1.00 0.00 WT4 H ATOM 47749 OH2 TIP3 23 38.341 51.435 -1.412 1.00 0.00 WT4 O ATOM 47750 H1 TIP3 23 38.763 51.643 -0.578 1.00 0.00 WT4 H ATOM 47751 H2 TIP3 23 38.603 50.533 -1.595 1.00 0.00 WT4 H ATOM 47752 OH2 TIP3 24 69.377 59.834 21.288 1.00 0.00 WT4 O ATOM 47753 H1 TIP3 24 68.470 59.892 20.990 1.00 0.00 WT4 H ATOM 47754 H2 TIP3 24 69.367 59.151 21.959 1.00 0.00 WT4 H ATOM 47755 OH2 TIP3 25 61.144 54.672 38.833 1.00 0.00 WT4 O ATOM 47756 H1 TIP3 25 60.466 54.394 39.449 1.00 0.00 WT4 H ATOM 47757 H2 TIP3 25 60.873 54.300 37.994 1.00 0.00 WT4 H ATOM 47758 OH2 TIP3 27 51.867 47.920 -17.336 1.00 0.00 WT4 O ATOM 47759 H1 TIP3 27 51.988 48.742 -16.860 1.00 0.00 WT4 H ATOM 47760 H2 TIP3 27 51.491 47.322 -16.690 1.00 0.00 WT4 H ATOM 47761 OH2 TIP3 29 21.170 81.112 65.103 1.00 0.00 WT4 O ATOM 47762 H1 TIP3 29 20.309 81.495 64.938 1.00 0.00 WT4 H ATOM 47763 H2 TIP3 29 21.779 81.847 65.032 1.00 0.00 WT4 H ATOM 47764 OH2 TIP3 31 69.212 94.008 47.840 1.00 0.00 WT4 O ATOM 47765 H1 TIP3 31 69.777 93.519 48.438 1.00 0.00 WT4 H ATOM 47766 H2 TIP3 31 69.412 94.927 48.018 1.00 0.00 WT4 H ATOM 47767 OH2 TIP3 43 28.416 46.765 55.424 1.00 0.00 WT4 O ATOM 47768 H1 TIP3 43 28.131 47.661 55.245 1.00 0.00 WT4 H ATOM 47769 H2 TIP3 43 29.363 46.782 55.288 1.00 0.00 WT4 H ATOM 47770 OH2 TIP3 44 37.023 86.021 -18.882 1.00 0.00 WT4 O ATOM 47771 H1 TIP3 44 37.023 85.270 -19.475 1.00 0.00 WT4 H ATOM 47772 H2 TIP3 44 37.697 86.604 -19.232 1.00 0.00 WT4 H ATOM 47773 OH2 TIP3 46 90.354 50.857 -10.552 1.00 0.00 WT4 O ATOM 47774 H1 TIP3 46 89.540 51.064 -11.012 1.00 0.00 WT4 H ATOM 47775 H2 TIP3 46 90.749 50.153 -11.067 1.00 0.00 WT4 H ATOM 47776 OH2 TIP3 47 53.003 69.876 55.660 1.00 0.00 WT4 O ATOM 47777 H1 TIP3 47 53.553 69.262 55.173 1.00 0.00 WT4 H ATOM 47778 H2 TIP3 47 52.343 70.161 55.027 1.00 0.00 WT4 H ATOM 47779 OH2 TIP3 48 62.209 23.873 48.645 1.00 0.00 WT4 O ATOM 47780 H1 TIP3 48 62.842 23.168 48.777 1.00 0.00 WT4 H ATOM 47781 H2 TIP3 48 61.641 23.557 47.942 1.00 0.00 WT4 H ATOM 47782 OH2 TIP3 50 35.308 70.628 4.080 1.00 0.00 WT4 O ATOM 47783 H1 TIP3 50 35.015 69.832 4.524 1.00 0.00 WT4 H ATOM 47784 H2 TIP3 50 34.991 71.342 4.633 1.00 0.00 WT4 H ATOM 47785 OH2 TIP3 64 39.872 80.548 -12.438 1.00 0.00 WT4 O ATOM 47786 H1 TIP3 64 39.830 80.286 -11.518 1.00 0.00 WT4 H ATOM 47787 H2 TIP3 64 39.670 79.748 -12.924 1.00 0.00 WT4 H ATOM 47788 OH2 TIP3 66 66.121 29.488 45.021 1.00 0.00 WT4 O ATOM 47789 H1 TIP3 66 65.176 29.520 45.169 1.00 0.00 WT4 H ATOM 47790 H2 TIP3 66 66.481 30.130 45.633 1.00 0.00 WT4 H ATOM 47791 OH2 TIP3 67 71.712 50.986 62.837 1.00 0.00 WT4 O ATOM 47792 H1 TIP3 67 72.047 51.057 61.943 1.00 0.00 WT4 H ATOM 47793 H2 TIP3 67 70.884 50.514 62.745 1.00 0.00 WT4 H ATOM 47794 OH2 TIP3 68 39.628 64.779 49.489 1.00 0.00 WT4 O ATOM 47795 H1 TIP3 68 40.279 64.681 48.795 1.00 0.00 WT4 H ATOM 47796 H2 TIP3 68 40.080 65.271 50.174 1.00 0.00 WT4 H ATOM 47797 OH2 TIP3 69 42.830 63.964 41.259 1.00 0.00 WT4 O ATOM 47798 H1 TIP3 69 42.522 64.855 41.427 1.00 0.00 WT4 H ATOM 47799 H2 TIP3 69 43.407 63.767 41.996 1.00 0.00 WT4 H ATOM 47800 OH2 TIP3 70 50.096 61.364 48.146 1.00 0.00 WT4 O ATOM 47801 H1 TIP3 70 49.360 61.010 47.647 1.00 0.00 WT4 H ATOM 47802 H2 TIP3 70 50.404 62.106 47.627 1.00 0.00 WT4 H ATOM 47803 OH2 TIP3 72 68.132 86.897 -16.264 1.00 0.00 WT4 O ATOM 47804 H1 TIP3 72 67.727 87.757 -16.373 1.00 0.00 WT4 H ATOM 47805 H2 TIP3 72 69.029 87.013 -16.578 1.00 0.00 WT4 H ATOM 47806 OH2 TIP3 83 87.359 91.068 58.090 1.00 0.00 WT4 O ATOM 47807 H1 TIP3 83 87.221 91.624 58.857 1.00 0.00 WT4 H ATOM 47808 H2 TIP3 83 87.941 91.579 57.526 1.00 0.00 WT4 H ATOM 47809 OH2 TIP3 86 42.955 47.311 59.534 1.00 0.00 WT4 O ATOM 47810 H1 TIP3 86 42.629 48.206 59.445 1.00 0.00 WT4 H ATOM 47811 H2 TIP3 86 42.273 46.766 59.141 1.00 0.00 WT4 H ATOM 47812 OH2 TIP3 87 23.277 46.929 38.876 1.00 0.00 WT4 O ATOM 47813 H1 TIP3 87 23.546 47.524 39.576 1.00 0.00 WT4 H ATOM 47814 H2 TIP3 87 24.019 46.333 38.770 1.00 0.00 WT4 H ATOM 47815 OH2 TIP3 88 80.450 80.176 41.752 1.00 0.00 WT4 O ATOM 47816 H1 TIP3 88 80.384 79.394 41.204 1.00 0.00 WT4 H ATOM 47817 H2 TIP3 88 79.593 80.596 41.674 1.00 0.00 WT4 H ATOM 47818 OH2 TIP3 90 89.598 87.479 14.850 1.00 0.00 WT4 O ATOM 47819 H1 TIP3 90 90.378 87.429 15.402 1.00 0.00 WT4 H ATOM 47820 H2 TIP3 90 89.290 86.575 14.787 1.00 0.00 WT4 H ATOM 47821 OH2 TIP3 91 36.876 52.775 66.157 1.00 0.00 WT4 O ATOM 47822 H1 TIP3 91 37.689 52.276 66.228 1.00 0.00 WT4 H ATOM 47823 H2 TIP3 91 37.059 53.598 66.609 1.00 0.00 WT4 H ATOM 47824 OH2 TIP3 93 57.538 68.979 53.142 1.00 0.00 WT4 O ATOM 47825 H1 TIP3 93 57.949 68.353 53.738 1.00 0.00 WT4 H ATOM 47826 H2 TIP3 93 57.169 68.438 52.444 1.00 0.00 WT4 H ATOM 47827 OH2 TIP3 107 74.507 77.548 64.026 1.00 0.00 WT4 O ATOM 47828 H1 TIP3 107 73.870 76.959 64.430 1.00 0.00 WT4 H ATOM 47829 H2 TIP3 107 75.356 77.148 64.213 1.00 0.00 WT4 H ATOM 47830 OH2 TIP3 108 73.427 65.356 6.014 1.00 0.00 WT4 O ATOM 47831 H1 TIP3 108 72.865 65.960 6.500 1.00 0.00 WT4 H ATOM 47832 H2 TIP3 108 74.306 65.723 6.103 1.00 0.00 WT4 H ATOM 47833 OH2 TIP3 109 54.332 57.607 -8.795 1.00 0.00 WT4 O ATOM 47834 H1 TIP3 109 54.160 57.996 -7.938 1.00 0.00 WT4 H ATOM 47835 H2 TIP3 109 54.480 58.355 -9.373 1.00 0.00 WT4 H ATOM 47836 OH2 TIP3 110 44.332 92.575 66.894 1.00 0.00 WT4 O ATOM 47837 H1 TIP3 110 44.257 93.127 66.116 1.00 0.00 WT4 H ATOM 47838 H2 TIP3 110 43.702 92.946 67.513 1.00 0.00 WT4 H ATOM 47839 OH2 TIP3 111 42.549 48.377 31.897 1.00 0.00 WT4 O ATOM 47840 H1 TIP3 111 41.834 48.930 31.585 1.00 0.00 WT4 H ATOM 47841 H2 TIP3 111 43.293 48.610 31.341 1.00 0.00 WT4 H ATOM 47842 OH2 TIP3 112 23.651 12.443 43.879 1.00 0.00 WT4 O ATOM 47843 H1 TIP3 112 24.530 12.787 44.035 1.00 0.00 WT4 H ATOM 47844 H2 TIP3 112 23.734 11.926 43.078 1.00 0.00 WT4 H ATOM 47845 OH2 TIP3 113 85.685 79.697 -18.297 1.00 0.00 WT4 O ATOM 47846 H1 TIP3 113 86.158 78.983 -17.869 1.00 0.00 WT4 H ATOM 47847 H2 TIP3 113 84.985 79.923 -17.684 1.00 0.00 WT4 H ATOM 47848 OH2 TIP3 114 22.959 62.923 -13.576 1.00 0.00 WT4 O ATOM 47849 H1 TIP3 114 23.465 62.123 -13.436 1.00 0.00 WT4 H ATOM 47850 H2 TIP3 114 23.572 63.632 -13.378 1.00 0.00 WT4 H ATOM 47851 OH2 TIP3 129 59.243 26.800 29.553 1.00 0.00 WT4 O ATOM 47852 H1 TIP3 129 59.338 27.673 29.934 1.00 0.00 WT4 H ATOM 47853 H2 TIP3 129 59.781 26.824 28.761 1.00 0.00 WT4 H ATOM 47854 OH2 TIP3 130 36.178 23.622 44.569 1.00 0.00 WT4 O ATOM 47855 H1 TIP3 130 36.653 22.791 44.533 1.00 0.00 WT4 H ATOM 47856 H2 TIP3 130 36.632 24.129 45.242 1.00 0.00 WT4 H ATOM 47857 OH2 TIP3 132 67.181 69.982 -6.704 1.00 0.00 WT4 O ATOM 47858 H1 TIP3 132 66.354 70.056 -6.227 1.00 0.00 WT4 H ATOM 47859 H2 TIP3 132 66.924 69.726 -7.590 1.00 0.00 WT4 H ATOM 47860 OH2 TIP3 133 81.362 91.651 49.373 1.00 0.00 WT4 O ATOM 47861 H1 TIP3 133 81.908 90.923 49.075 1.00 0.00 WT4 H ATOM 47862 H2 TIP3 133 80.464 91.349 49.234 1.00 0.00 WT4 H ATOM 47863 OH2 TIP3 144 21.618 16.712 5.336 1.00 0.00 WT4 O ATOM 47864 H1 TIP3 144 22.043 16.239 6.051 1.00 0.00 WT4 H ATOM 47865 H2 TIP3 144 22.302 17.283 4.986 1.00 0.00 WT4 H ATOM 47866 OH2 TIP3 145 65.463 81.963 19.693 1.00 0.00 WT4 O ATOM 47867 H1 TIP3 145 65.404 81.018 19.553 1.00 0.00 WT4 H ATOM 47868 H2 TIP3 145 64.626 82.200 20.092 1.00 0.00 WT4 H ATOM 47869 OH2 TIP3 149 38.796 38.567 65.512 1.00 0.00 WT4 O ATOM 47870 H1 TIP3 149 38.375 38.566 64.653 1.00 0.00 WT4 H ATOM 47871 H2 TIP3 149 38.266 37.970 66.040 1.00 0.00 WT4 H ATOM 47872 OH2 TIP3 150 78.585 94.203 24.491 1.00 0.00 WT4 O ATOM 47873 H1 TIP3 150 78.392 94.687 25.294 1.00 0.00 WT4 H ATOM 47874 H2 TIP3 150 77.734 94.088 24.069 1.00 0.00 WT4 H ATOM 47875 OH2 TIP3 151 41.415 15.067 39.943 1.00 0.00 WT4 O ATOM 47876 H1 TIP3 151 41.912 15.474 39.234 1.00 0.00 WT4 H ATOM 47877 H2 TIP3 151 42.076 14.825 40.592 1.00 0.00 WT4 H ATOM 47878 OH2 TIP3 152 25.839 59.524 65.060 1.00 0.00 WT4 O ATOM 47879 H1 TIP3 152 25.052 59.831 65.510 1.00 0.00 WT4 H ATOM 47880 H2 TIP3 152 25.533 58.811 64.500 1.00 0.00 WT4 H ATOM 47881 OH2 TIP3 154 90.227 42.188 4.267 1.00 0.00 WT4 O ATOM 47882 H1 TIP3 154 89.656 41.999 3.522 1.00 0.00 WT4 H ATOM 47883 H2 TIP3 154 90.658 41.354 4.456 1.00 0.00 WT4 H ATOM 47884 OH2 TIP3 167 40.531 88.437 59.624 1.00 0.00 WT4 O ATOM 47885 H1 TIP3 167 40.393 89.257 59.149 1.00 0.00 WT4 H ATOM 47886 H2 TIP3 167 41.266 88.020 59.176 1.00 0.00 WT4 H ATOM 47887 OH2 TIP3 171 35.718 80.818 -14.068 1.00 0.00 WT4 O ATOM 47888 H1 TIP3 171 35.188 81.615 -14.047 1.00 0.00 WT4 H ATOM 47889 H2 TIP3 171 36.616 81.130 -14.178 1.00 0.00 WT4 H ATOM 47890 OH2 TIP3 192 76.264 34.389 64.294 1.00 0.00 WT4 O ATOM 47891 H1 TIP3 192 77.041 34.505 64.841 1.00 0.00 WT4 H ATOM 47892 H2 TIP3 192 76.069 35.267 63.966 1.00 0.00 WT4 H ATOM 47893 OH2 TIP3 193 61.729 34.780 -8.867 1.00 0.00 WT4 O ATOM 47894 H1 TIP3 193 60.842 34.849 -9.218 1.00 0.00 WT4 H ATOM 47895 H2 TIP3 193 61.991 33.878 -9.049 1.00 0.00 WT4 H ATOM 47896 OH2 TIP3 212 90.463 10.647 50.623 1.00 0.00 WT4 O ATOM 47897 H1 TIP3 212 90.117 9.758 50.536 1.00 0.00 WT4 H ATOM 47898 H2 TIP3 212 90.656 10.738 51.556 1.00 0.00 WT4 H ATOM 47899 OH2 TIP3 236 87.331 68.637 62.910 1.00 0.00 WT4 O ATOM 47900 H1 TIP3 236 86.470 69.007 62.718 1.00 0.00 WT4 H ATOM 47901 H2 TIP3 236 87.344 68.539 63.862 1.00 0.00 WT4 H ATOM 47902 OH2 TIP3 237 84.178 96.170 12.046 1.00 0.00 WT4 O ATOM 47903 H1 TIP3 237 83.344 95.797 11.760 1.00 0.00 WT4 H ATOM 47904 H2 TIP3 237 84.333 96.899 11.445 1.00 0.00 WT4 H ATOM 47905 OH2 TIP3 239 47.232 33.152 51.362 1.00 0.00 WT4 O ATOM 47906 H1 TIP3 239 48.067 33.608 51.469 1.00 0.00 WT4 H ATOM 47907 H2 TIP3 239 46.711 33.732 50.806 1.00 0.00 WT4 H ATOM 47908 OH2 TIP3 256 70.420 64.306 31.209 1.00 0.00 WT4 O ATOM 47909 H1 TIP3 256 69.605 64.028 30.791 1.00 0.00 WT4 H ATOM 47910 H2 TIP3 256 70.385 63.920 32.084 1.00 0.00 WT4 H ATOM 47911 OH2 TIP3 407 87.864 47.312 57.751 1.00 0.00 WT4 O ATOM 47912 H1 TIP3 407 87.324 46.536 57.902 1.00 0.00 WT4 H ATOM 47913 H2 TIP3 407 87.258 48.047 57.844 1.00 0.00 WT4 H ATOM 47914 OH2 TIP3 430 82.073 71.463 -1.201 1.00 0.00 WT4 O ATOM 47915 H1 TIP3 430 81.260 70.975 -1.328 1.00 0.00 WT4 H ATOM 47916 H2 TIP3 430 82.757 70.795 -1.200 1.00 0.00 WT4 H ATOM 47917 OH2 TIP3 443 76.954 68.392 -3.142 1.00 0.00 WT4 O ATOM 47918 H1 TIP3 443 77.155 69.159 -3.679 1.00 0.00 WT4 H ATOM 47919 H2 TIP3 443 77.677 67.787 -3.308 1.00 0.00 WT4 H ATOM 47920 OH2 TIP3 444 61.383 82.503 11.915 1.00 0.00 WT4 O ATOM 47921 H1 TIP3 444 61.304 82.060 12.759 1.00 0.00 WT4 H ATOM 47922 H2 TIP3 444 61.676 81.821 11.311 1.00 0.00 WT4 H ATOM 47923 OH2 TIP3 447 55.518 76.002 63.174 1.00 0.00 WT4 O ATOM 47924 H1 TIP3 447 56.412 75.740 62.956 1.00 0.00 WT4 H ATOM 47925 H2 TIP3 447 55.435 75.818 64.110 1.00 0.00 WT4 H ATOM 47926 OH2 TIP3 449 24.041 74.152 65.598 1.00 0.00 WT4 O ATOM 47927 H1 TIP3 449 23.709 75.049 65.573 1.00 0.00 WT4 H ATOM 47928 H2 TIP3 449 23.263 73.606 65.484 1.00 0.00 WT4 H ATOM 47929 OH2 TIP3 450 44.299 26.039 3.771 1.00 0.00 WT4 O ATOM 47930 H1 TIP3 450 45.221 25.781 3.778 1.00 0.00 WT4 H ATOM 47931 H2 TIP3 450 44.259 26.799 4.353 1.00 0.00 WT4 H ATOM 47932 OH2 TIP3 465 25.749 61.740 13.344 1.00 0.00 WT4 O ATOM 47933 H1 TIP3 465 26.554 62.253 13.266 1.00 0.00 WT4 H ATOM 47934 H2 TIP3 465 25.126 62.182 12.767 1.00 0.00 WT4 H ATOM 47935 OH2 TIP3 466 87.648 50.382 59.454 1.00 0.00 WT4 O ATOM 47936 H1 TIP3 466 88.381 50.965 59.655 1.00 0.00 WT4 H ATOM 47937 H2 TIP3 466 87.384 50.625 58.567 1.00 0.00 WT4 H ATOM 47938 OH2 TIP3 467 23.529 83.636 46.591 1.00 0.00 WT4 O ATOM 47939 H1 TIP3 467 24.122 84.363 46.401 1.00 0.00 WT4 H ATOM 47940 H2 TIP3 467 23.622 83.049 45.841 1.00 0.00 WT4 H ATOM 47941 OH2 TIP3 469 63.960 45.815 61.555 1.00 0.00 WT4 O ATOM 47942 H1 TIP3 469 64.213 45.122 60.946 1.00 0.00 WT4 H ATOM 47943 H2 TIP3 469 63.593 46.502 60.998 1.00 0.00 WT4 H ATOM 47944 OH2 TIP3 478 32.471 75.739 14.812 1.00 0.00 WT4 O ATOM 47945 H1 TIP3 478 32.238 74.812 14.762 1.00 0.00 WT4 H ATOM 47946 H2 TIP3 478 32.772 75.958 13.930 1.00 0.00 WT4 H ATOM 47947 OH2 TIP3 484 31.902 76.895 18.536 1.00 0.00 WT4 O ATOM 47948 H1 TIP3 484 32.794 76.617 18.327 1.00 0.00 WT4 H ATOM 47949 H2 TIP3 484 31.669 76.392 19.316 1.00 0.00 WT4 H ATOM 47950 OH2 TIP3 485 27.356 66.258 59.399 1.00 0.00 WT4 O ATOM 47951 H1 TIP3 485 27.849 66.907 58.897 1.00 0.00 WT4 H ATOM 47952 H2 TIP3 485 26.446 66.387 59.129 1.00 0.00 WT4 H ATOM 47953 OH2 TIP3 486 85.171 42.904 18.977 1.00 0.00 WT4 O ATOM 47954 H1 TIP3 486 86.035 42.494 18.944 1.00 0.00 WT4 H ATOM 47955 H2 TIP3 486 84.774 42.565 19.779 1.00 0.00 WT4 H ATOM 47956 OH2 TIP3 488 84.104 52.604 59.246 1.00 0.00 WT4 O ATOM 47957 H1 TIP3 488 83.981 53.470 59.636 1.00 0.00 WT4 H ATOM 47958 H2 TIP3 488 83.301 52.448 58.750 1.00 0.00 WT4 H ATOM 47959 OH2 TIP3 489 31.166 15.644 -12.588 1.00 0.00 WT4 O ATOM 47960 H1 TIP3 489 30.866 16.251 -11.910 1.00 0.00 WT4 H ATOM 47961 H2 TIP3 489 31.415 14.854 -12.108 1.00 0.00 WT4 H ATOM 47962 OH2 TIP3 492 48.125 23.810 53.540 1.00 0.00 WT4 O ATOM 47963 H1 TIP3 492 47.316 24.218 53.848 1.00 0.00 WT4 H ATOM 47964 H2 TIP3 492 48.560 23.509 54.338 1.00 0.00 WT4 H ATOM 47965 OH2 TIP3 503 24.639 61.214 42.161 1.00 0.00 WT4 O ATOM 47966 H1 TIP3 503 25.384 60.699 41.853 1.00 0.00 WT4 H ATOM 47967 H2 TIP3 503 24.502 60.921 43.062 1.00 0.00 WT4 H ATOM 47968 OH2 TIP3 506 68.414 94.692 63.966 1.00 0.00 WT4 O ATOM 47969 H1 TIP3 506 68.005 93.827 63.939 1.00 0.00 WT4 H ATOM 47970 H2 TIP3 506 67.918 95.172 64.629 1.00 0.00 WT4 H ATOM 47971 OH2 TIP3 507 22.765 71.419 -5.073 1.00 0.00 WT4 O ATOM 47972 H1 TIP3 507 22.364 70.580 -5.299 1.00 0.00 WT4 H ATOM 47973 H2 TIP3 507 22.968 71.344 -4.140 1.00 0.00 WT4 H ATOM 47974 OH2 TIP3 508 44.672 0.188 30.882 1.00 0.00 WT4 O ATOM 47975 H1 TIP3 508 44.285 0.170 30.007 1.00 0.00 WT4 H ATOM 47976 H2 TIP3 508 45.363 0.848 30.825 1.00 0.00 WT4 H ATOM 47977 OH2 TIP3 509 30.648 83.343 -9.041 1.00 0.00 WT4 O ATOM 47978 H1 TIP3 509 31.219 83.607 -8.319 1.00 0.00 WT4 H ATOM 47979 H2 TIP3 509 30.187 84.145 -9.287 1.00 0.00 WT4 H ATOM 47980 OH2 TIP3 511 85.654 76.664 14.725 1.00 0.00 WT4 O ATOM 47981 H1 TIP3 511 86.549 76.871 14.995 1.00 0.00 WT4 H ATOM 47982 H2 TIP3 511 85.128 77.388 15.064 1.00 0.00 WT4 H ATOM 47983 OH2 TIP3 512 69.473 61.303 54.000 1.00 0.00 WT4 O ATOM 47984 H1 TIP3 512 69.674 60.939 53.138 1.00 0.00 WT4 H ATOM 47985 H2 TIP3 512 68.630 60.915 54.234 1.00 0.00 WT4 H ATOM 47986 OH2 TIP3 513 37.320 7.604 59.564 1.00 0.00 WT4 O ATOM 47987 H1 TIP3 513 37.851 7.372 60.326 1.00 0.00 WT4 H ATOM 47988 H2 TIP3 513 36.446 7.762 59.920 1.00 0.00 WT4 H ATOM 47989 OH2 TIP3 517 65.819 74.962 -13.205 1.00 0.00 WT4 O ATOM 47990 H1 TIP3 517 66.194 74.439 -13.913 1.00 0.00 WT4 H ATOM 47991 H2 TIP3 517 66.033 75.867 -13.435 1.00 0.00 WT4 H ATOM 47992 OH2 TIP3 528 51.166 67.070 -18.927 1.00 0.00 WT4 O ATOM 47993 H1 TIP3 528 51.328 67.348 -18.025 1.00 0.00 WT4 H ATOM 47994 H2 TIP3 528 51.792 66.362 -19.077 1.00 0.00 WT4 H ATOM 47995 OH2 TIP3 529 89.946 72.175 -4.478 1.00 0.00 WT4 O ATOM 47996 H1 TIP3 529 89.415 71.396 -4.646 1.00 0.00 WT4 H ATOM 47997 H2 TIP3 529 90.729 72.051 -5.014 1.00 0.00 WT4 H ATOM 47998 OH2 TIP3 530 44.602 89.374 -1.134 1.00 0.00 WT4 O ATOM 47999 H1 TIP3 530 45.269 89.390 -0.448 1.00 0.00 WT4 H ATOM 48000 H2 TIP3 530 43.824 89.750 -0.721 1.00 0.00 WT4 H ATOM 48001 OH2 TIP3 532 28.119 1.520 49.343 1.00 0.00 WT4 O ATOM 48002 H1 TIP3 532 28.908 1.739 49.838 1.00 0.00 WT4 H ATOM 48003 H2 TIP3 532 28.284 1.862 48.464 1.00 0.00 WT4 H ATOM 48004 OH2 TIP3 533 47.190 63.638 -4.776 1.00 0.00 WT4 O ATOM 48005 H1 TIP3 533 46.572 63.091 -4.290 1.00 0.00 WT4 H ATOM 48006 H2 TIP3 533 47.535 64.248 -4.125 1.00 0.00 WT4 H ATOM 48007 OH2 TIP3 535 35.362 83.354 39.063 1.00 0.00 WT4 O ATOM 48008 H1 TIP3 535 35.519 84.259 38.796 1.00 0.00 WT4 H ATOM 48009 H2 TIP3 535 36.132 82.875 38.756 1.00 0.00 WT4 H ATOM 48010 OH2 TIP3 543 29.805 44.955 -2.636 1.00 0.00 WT4 O ATOM 48011 H1 TIP3 543 30.629 44.729 -3.067 1.00 0.00 WT4 H ATOM 48012 H2 TIP3 543 29.888 44.593 -1.754 1.00 0.00 WT4 H ATOM 48013 OH2 TIP3 547 44.357 82.386 6.050 1.00 0.00 WT4 O ATOM 48014 H1 TIP3 547 44.288 83.272 5.695 1.00 0.00 WT4 H ATOM 48015 H2 TIP3 547 45.244 82.106 5.824 1.00 0.00 WT4 H ATOM 48016 OH2 TIP3 549 85.355 76.271 57.980 1.00 0.00 WT4 O ATOM 48017 H1 TIP3 549 84.732 76.987 57.855 1.00 0.00 WT4 H ATOM 48018 H2 TIP3 549 85.571 76.300 58.912 1.00 0.00 WT4 H ATOM 48019 OH2 TIP3 550 70.135 17.205 62.455 1.00 0.00 WT4 O ATOM 48020 H1 TIP3 550 70.039 16.288 62.710 1.00 0.00 WT4 H ATOM 48021 H2 TIP3 550 70.298 17.176 61.512 1.00 0.00 WT4 H ATOM 48022 OH2 TIP3 551 87.546 10.620 -19.117 1.00 0.00 WT4 O ATOM 48023 H1 TIP3 551 87.446 10.374 -20.036 1.00 0.00 WT4 H ATOM 48024 H2 TIP3 551 86.766 11.138 -18.921 1.00 0.00 WT4 H ATOM 48025 OH2 TIP3 554 43.967 77.066 9.357 1.00 0.00 WT4 O ATOM 48026 H1 TIP3 554 44.185 76.251 9.808 1.00 0.00 WT4 H ATOM 48027 H2 TIP3 554 44.635 77.149 8.676 1.00 0.00 WT4 H ATOM 48028 OH2 TIP3 558 38.754 13.887 16.963 1.00 0.00 WT4 O ATOM 48029 H1 TIP3 558 38.844 14.274 16.092 1.00 0.00 WT4 H ATOM 48030 H2 TIP3 558 39.154 14.528 17.552 1.00 0.00 WT4 H ATOM 48031 OH2 TIP3 562 70.019 23.264 44.752 1.00 0.00 WT4 O ATOM 48032 H1 TIP3 562 70.359 23.236 45.646 1.00 0.00 WT4 H ATOM 48033 H2 TIP3 562 69.805 22.353 44.548 1.00 0.00 WT4 H ATOM 48034 OH2 TIP3 568 65.235 59.386 -0.432 1.00 0.00 WT4 O ATOM 48035 H1 TIP3 568 64.427 58.883 -0.332 1.00 0.00 WT4 H ATOM 48036 H2 TIP3 568 65.811 59.053 0.257 1.00 0.00 WT4 H ATOM 48037 OH2 TIP3 572 76.281 69.863 -14.781 1.00 0.00 WT4 O ATOM 48038 H1 TIP3 572 76.592 70.376 -14.035 1.00 0.00 WT4 H ATOM 48039 H2 TIP3 572 75.983 69.038 -14.397 1.00 0.00 WT4 H ATOM 48040 OH2 TIP3 573 20.724 5.986 54.705 1.00 0.00 WT4 O ATOM 48041 H1 TIP3 573 21.475 5.861 55.285 1.00 0.00 WT4 H ATOM 48042 H2 TIP3 573 20.404 5.100 54.531 1.00 0.00 WT4 H ATOM 48043 OH2 TIP3 574 72.285 81.923 44.787 1.00 0.00 WT4 O ATOM 48044 H1 TIP3 574 73.003 82.546 44.679 1.00 0.00 WT4 H ATOM 48045 H2 TIP3 574 71.678 82.358 45.387 1.00 0.00 WT4 H ATOM 48046 OH2 TIP3 575 23.196 49.051 50.566 1.00 0.00 WT4 O ATOM 48047 H1 TIP3 575 22.564 48.357 50.378 1.00 0.00 WT4 H ATOM 48048 H2 TIP3 575 22.793 49.844 50.213 1.00 0.00 WT4 H ATOM 48049 OH2 TIP3 584 80.256 84.982 -12.603 1.00 0.00 WT4 O ATOM 48050 H1 TIP3 584 79.323 85.120 -12.438 1.00 0.00 WT4 H ATOM 48051 H2 TIP3 584 80.646 85.852 -12.518 1.00 0.00 WT4 H ATOM 48052 OH2 TIP3 591 27.973 49.369 51.180 1.00 0.00 WT4 O ATOM 48053 H1 TIP3 591 28.235 48.542 50.775 1.00 0.00 WT4 H ATOM 48054 H2 TIP3 591 27.035 49.272 51.339 1.00 0.00 WT4 H ATOM 48055 OH2 TIP3 592 83.207 37.993 17.062 1.00 0.00 WT4 O ATOM 48056 H1 TIP3 592 82.253 38.020 17.140 1.00 0.00 WT4 H ATOM 48057 H2 TIP3 592 83.518 38.641 17.694 1.00 0.00 WT4 H ATOM 48058 OH2 TIP3 593 60.643 76.564 51.020 1.00 0.00 WT4 O ATOM 48059 H1 TIP3 593 60.512 77.478 51.270 1.00 0.00 WT4 H ATOM 48060 H2 TIP3 593 59.766 76.180 51.044 1.00 0.00 WT4 H ATOM 48061 OH2 TIP3 594 48.524 66.030 8.029 1.00 0.00 WT4 O ATOM 48062 H1 TIP3 594 47.944 65.421 8.486 1.00 0.00 WT4 H ATOM 48063 H2 TIP3 594 49.055 66.421 8.722 1.00 0.00 WT4 H ATOM 48064 OH2 TIP3 595 84.145 13.467 66.453 1.00 0.00 WT4 O ATOM 48065 H1 TIP3 595 84.797 14.072 66.808 1.00 0.00 WT4 H ATOM 48066 H2 TIP3 595 84.588 12.619 66.439 1.00 0.00 WT4 H ATOM 48067 OH2 TIP3 612 71.972 4.847 43.286 1.00 0.00 WT4 O ATOM 48068 H1 TIP3 612 71.414 4.101 43.506 1.00 0.00 WT4 H ATOM 48069 H2 TIP3 612 71.528 5.601 43.674 1.00 0.00 WT4 H ATOM 48070 OH2 TIP3 613 58.163 83.713 48.367 1.00 0.00 WT4 O ATOM 48071 H1 TIP3 613 57.383 84.128 47.998 1.00 0.00 WT4 H ATOM 48072 H2 TIP3 613 58.195 82.852 47.950 1.00 0.00 WT4 H ATOM 48073 OH2 TIP3 617 82.303 92.610 43.558 1.00 0.00 WT4 O ATOM 48074 H1 TIP3 617 81.741 92.006 43.073 1.00 0.00 WT4 H ATOM 48075 H2 TIP3 617 81.705 93.277 43.896 1.00 0.00 WT4 H ATOM 48076 OH2 TIP3 632 59.207 49.741 4.597 1.00 0.00 WT4 O ATOM 48077 H1 TIP3 632 59.010 49.541 5.512 1.00 0.00 WT4 H ATOM 48078 H2 TIP3 632 60.087 49.389 4.459 1.00 0.00 WT4 H ATOM 48079 OH2 TIP3 634 38.939 83.196 62.601 1.00 0.00 WT4 O ATOM 48080 H1 TIP3 634 38.536 82.432 63.013 1.00 0.00 WT4 H ATOM 48081 H2 TIP3 634 39.516 82.831 61.930 1.00 0.00 WT4 H ATOM 48082 OH2 TIP3 635 79.026 38.611 25.030 1.00 0.00 WT4 O ATOM 48083 H1 TIP3 635 78.394 38.824 24.343 1.00 0.00 WT4 H ATOM 48084 H2 TIP3 635 79.783 38.264 24.559 1.00 0.00 WT4 H ATOM 48085 OH2 TIP3 638 33.611 38.618 26.232 1.00 0.00 WT4 O ATOM 48086 H1 TIP3 638 33.010 38.250 25.584 1.00 0.00 WT4 H ATOM 48087 H2 TIP3 638 33.739 39.524 25.954 1.00 0.00 WT4 H ATOM 48088 OH2 TIP3 640 44.010 12.807 56.244 1.00 0.00 WT4 O ATOM 48089 H1 TIP3 640 44.243 13.730 56.139 1.00 0.00 WT4 H ATOM 48090 H2 TIP3 640 44.486 12.526 57.025 1.00 0.00 WT4 H ATOM 48091 OH2 TIP3 656 71.567 90.285 34.154 1.00 0.00 WT4 O ATOM 48092 H1 TIP3 656 70.889 89.712 34.511 1.00 0.00 WT4 H ATOM 48093 H2 TIP3 656 71.860 89.843 33.357 1.00 0.00 WT4 H ATOM 48094 OH2 TIP3 659 88.556 67.498 5.296 1.00 0.00 WT4 O ATOM 48095 H1 TIP3 659 88.063 68.296 5.489 1.00 0.00 WT4 H ATOM 48096 H2 TIP3 659 89.468 67.732 5.469 1.00 0.00 WT4 H ATOM 48097 OH2 TIP3 660 28.606 18.050 -8.347 1.00 0.00 WT4 O ATOM 48098 H1 TIP3 660 29.272 18.718 -8.183 1.00 0.00 WT4 H ATOM 48099 H2 TIP3 660 27.779 18.477 -8.124 1.00 0.00 WT4 H ATOM 48100 OH2 TIP3 682 30.062 53.256 -8.949 1.00 0.00 WT4 O ATOM 48101 H1 TIP3 682 29.310 53.119 -8.373 1.00 0.00 WT4 H ATOM 48102 H2 TIP3 682 29.916 52.658 -9.682 1.00 0.00 WT4 H ATOM 48103 OH2 TIP3 695 86.760 78.903 24.621 1.00 0.00 WT4 O ATOM 48104 H1 TIP3 695 86.001 78.381 24.360 1.00 0.00 WT4 H ATOM 48105 H2 TIP3 695 87.112 78.447 25.386 1.00 0.00 WT4 H ATOM 48106 OH2 TIP3 697 65.258 49.369 8.931 1.00 0.00 WT4 O ATOM 48107 H1 TIP3 697 65.653 49.181 9.783 1.00 0.00 WT4 H ATOM 48108 H2 TIP3 697 64.365 49.031 9.001 1.00 0.00 WT4 H ATOM 48109 OH2 TIP3 758 20.474 58.876 1.838 1.00 0.00 WT4 O ATOM 48110 H1 TIP3 758 21.116 58.232 1.537 1.00 0.00 WT4 H ATOM 48111 H2 TIP3 758 20.679 59.669 1.343 1.00 0.00 WT4 H ATOM 48112 OH2 TIP3 805 62.704 18.363 62.895 1.00 0.00 WT4 O ATOM 48113 H1 TIP3 805 63.022 18.596 62.023 1.00 0.00 WT4 H ATOM 48114 H2 TIP3 805 63.131 17.528 63.091 1.00 0.00 WT4 H ATOM 48115 OH2 TIP3 822 81.669 47.212 38.885 1.00 0.00 WT4 O ATOM 48116 H1 TIP3 822 81.279 47.487 39.715 1.00 0.00 WT4 H ATOM 48117 H2 TIP3 822 81.839 46.277 38.998 1.00 0.00 WT4 H ATOM 48118 OH2 TIP3 848 40.880 55.714 0.415 1.00 0.00 WT4 O ATOM 48119 H1 TIP3 848 40.434 56.538 0.219 1.00 0.00 WT4 H ATOM 48120 H2 TIP3 848 41.429 55.914 1.173 1.00 0.00 WT4 H ATOM 48121 OH2 TIP3 849 33.815 45.964 7.961 1.00 0.00 WT4 O ATOM 48122 H1 TIP3 849 34.743 45.787 7.810 1.00 0.00 WT4 H ATOM 48123 H2 TIP3 849 33.752 46.132 8.901 1.00 0.00 WT4 H ATOM 48124 OH2 TIP3 866 42.577 54.216 59.477 1.00 0.00 WT4 O ATOM 48125 H1 TIP3 866 42.808 54.340 60.397 1.00 0.00 WT4 H ATOM 48126 H2 TIP3 866 43.418 54.124 59.028 1.00 0.00 WT4 H ATOM 48127 OH2 TIP3 867 24.351 65.198 3.954 1.00 0.00 WT4 O ATOM 48128 H1 TIP3 867 25.089 64.777 4.395 1.00 0.00 WT4 H ATOM 48129 H2 TIP3 867 24.719 65.998 3.579 1.00 0.00 WT4 H ATOM 48130 OH2 TIP3 887 57.482 22.469 44.546 1.00 0.00 WT4 O ATOM 48131 H1 TIP3 887 56.691 22.997 44.435 1.00 0.00 WT4 H ATOM 48132 H2 TIP3 887 58.106 22.837 43.921 1.00 0.00 WT4 H ATOM 48133 OH2 TIP3 888 58.142 25.585 2.163 1.00 0.00 WT4 O ATOM 48134 H1 TIP3 888 58.707 26.102 2.737 1.00 0.00 WT4 H ATOM 48135 H2 TIP3 888 57.651 26.235 1.660 1.00 0.00 WT4 H ATOM 48136 OH2 TIP3 891 38.407 41.312 43.062 1.00 0.00 WT4 O ATOM 48137 H1 TIP3 891 37.508 41.076 42.834 1.00 0.00 WT4 H ATOM 48138 H2 TIP3 891 38.613 42.054 42.493 1.00 0.00 WT4 H ATOM 48139 OH2 TIP3 906 23.443 22.816 -11.473 1.00 0.00 WT4 O ATOM 48140 H1 TIP3 906 24.391 22.709 -11.388 1.00 0.00 WT4 H ATOM 48141 H2 TIP3 906 23.076 22.236 -10.806 1.00 0.00 WT4 H ATOM 48142 OH2 TIP3 908 90.045 49.943 39.538 1.00 0.00 WT4 O ATOM 48143 H1 TIP3 908 89.700 49.831 38.652 1.00 0.00 WT4 H ATOM 48144 H2 TIP3 908 89.292 50.233 40.054 1.00 0.00 WT4 H ATOM 48145 OH2 TIP3 912 57.696 51.087 55.808 1.00 0.00 WT4 O ATOM 48146 H1 TIP3 912 57.420 51.671 55.101 1.00 0.00 WT4 H ATOM 48147 H2 TIP3 912 57.934 51.674 56.526 1.00 0.00 WT4 H ATOM 48148 OH2 TIP3 924 45.741 40.632 -1.007 1.00 0.00 WT4 O ATOM 48149 H1 TIP3 924 45.737 41.285 -0.307 1.00 0.00 WT4 H ATOM 48150 H2 TIP3 924 46.648 40.613 -1.312 1.00 0.00 WT4 H ATOM 48151 OH2 TIP3 927 68.497 35.007 39.448 1.00 0.00 WT4 O ATOM 48152 H1 TIP3 927 67.591 35.209 39.680 1.00 0.00 WT4 H ATOM 48153 H2 TIP3 927 68.884 35.854 39.227 1.00 0.00 WT4 H ATOM 48154 OH2 TIP3 928 53.584 42.557 -8.768 1.00 0.00 WT4 O ATOM 48155 H1 TIP3 928 53.572 42.783 -7.838 1.00 0.00 WT4 H ATOM 48156 H2 TIP3 928 52.846 41.957 -8.879 1.00 0.00 WT4 H ATOM 48157 OH2 TIP3 929 39.169 31.807 24.654 1.00 0.00 WT4 O ATOM 48158 H1 TIP3 929 40.027 31.885 24.237 1.00 0.00 WT4 H ATOM 48159 H2 TIP3 929 38.661 32.536 24.296 1.00 0.00 WT4 H ATOM 48160 OH2 TIP3 930 50.391 11.546 19.162 1.00 0.00 WT4 O ATOM 48161 H1 TIP3 930 50.551 12.139 19.897 1.00 0.00 WT4 H ATOM 48162 H2 TIP3 930 49.951 10.792 19.554 1.00 0.00 WT4 H ATOM 48163 OH2 TIP3 932 84.023 76.343 47.981 1.00 0.00 WT4 O ATOM 48164 H1 TIP3 932 83.618 75.741 48.604 1.00 0.00 WT4 H ATOM 48165 H2 TIP3 932 83.344 76.503 47.325 1.00 0.00 WT4 H ATOM 48166 OH2 TIP3 942 50.215 46.463 62.534 1.00 0.00 WT4 O ATOM 48167 H1 TIP3 942 49.467 45.913 62.301 1.00 0.00 WT4 H ATOM 48168 H2 TIP3 942 50.827 46.355 61.806 1.00 0.00 WT4 H ATOM 48169 OH2 TIP3 947 52.212 76.700 -15.934 1.00 0.00 WT4 O ATOM 48170 H1 TIP3 947 51.943 75.794 -16.087 1.00 0.00 WT4 H ATOM 48171 H2 TIP3 947 52.041 76.848 -15.004 1.00 0.00 WT4 H ATOM 48172 OH2 TIP3 948 25.872 71.882 53.972 1.00 0.00 WT4 O ATOM 48173 H1 TIP3 948 25.963 72.443 53.202 1.00 0.00 WT4 H ATOM 48174 H2 TIP3 948 26.703 71.409 54.024 1.00 0.00 WT4 H ATOM 48175 OH2 TIP3 950 74.316 73.434 62.168 1.00 0.00 WT4 O ATOM 48176 H1 TIP3 950 74.934 73.666 62.862 1.00 0.00 WT4 H ATOM 48177 H2 TIP3 950 73.906 72.625 62.473 1.00 0.00 WT4 H ATOM 48178 OH2 TIP3 951 65.837 76.021 34.412 1.00 0.00 WT4 O ATOM 48179 H1 TIP3 951 65.278 76.333 33.701 1.00 0.00 WT4 H ATOM 48180 H2 TIP3 951 65.567 75.113 34.549 1.00 0.00 WT4 H ATOM 48181 OH2 TIP3 952 44.380 75.420 24.995 1.00 0.00 WT4 O ATOM 48182 H1 TIP3 952 43.945 75.154 24.184 1.00 0.00 WT4 H ATOM 48183 H2 TIP3 952 45.136 74.837 25.063 1.00 0.00 WT4 H ATOM 48184 OH2 TIP3 953 51.979 54.290 61.896 1.00 0.00 WT4 O ATOM 48185 H1 TIP3 953 51.427 54.325 61.115 1.00 0.00 WT4 H ATOM 48186 H2 TIP3 953 51.418 53.903 62.569 1.00 0.00 WT4 H ATOM 48187 OH2 TIP3 956 68.627 8.441 65.834 1.00 0.00 WT4 O ATOM 48188 H1 TIP3 956 67.809 8.405 65.337 1.00 0.00 WT4 H ATOM 48189 H2 TIP3 956 69.112 7.666 65.554 1.00 0.00 WT4 H ATOM 48190 OH2 TIP3 964 26.613 17.903 8.531 1.00 0.00 WT4 O ATOM 48191 H1 TIP3 964 27.110 17.234 8.060 1.00 0.00 WT4 H ATOM 48192 H2 TIP3 964 27.047 17.968 9.382 1.00 0.00 WT4 H ATOM 48193 OH2 TIP3 970 35.699 76.156 1.223 1.00 0.00 WT4 O ATOM 48194 H1 TIP3 970 36.598 76.449 1.075 1.00 0.00 WT4 H ATOM 48195 H2 TIP3 970 35.790 75.350 1.732 1.00 0.00 WT4 H ATOM 48196 OH2 TIP3 972 26.715 73.140 66.019 1.00 0.00 WT4 O ATOM 48197 H1 TIP3 972 25.781 73.317 65.901 1.00 0.00 WT4 H ATOM 48198 H2 TIP3 972 26.746 72.272 66.420 1.00 0.00 WT4 H ATOM 48199 OH2 TIP3 974 34.636 42.478 36.356 1.00 0.00 WT4 O ATOM 48200 H1 TIP3 974 34.927 43.023 37.087 1.00 0.00 WT4 H ATOM 48201 H2 TIP3 974 33.688 42.605 36.325 1.00 0.00 WT4 H ATOM 48202 OH2 TIP3 985 29.851 93.355 25.850 1.00 0.00 WT4 O ATOM 48203 H1 TIP3 985 28.992 92.967 26.014 1.00 0.00 WT4 H ATOM 48204 H2 TIP3 985 30.414 92.988 26.532 1.00 0.00 WT4 H ATOM 48205 OH2 TIP3 987 26.453 63.824 52.958 1.00 0.00 WT4 O ATOM 48206 H1 TIP3 987 25.990 64.358 52.312 1.00 0.00 WT4 H ATOM 48207 H2 TIP3 987 27.133 63.376 52.455 1.00 0.00 WT4 H ATOM 48208 OH2 TIP3 988 53.070 83.566 4.530 1.00 0.00 WT4 O ATOM 48209 H1 TIP3 988 53.124 84.196 5.249 1.00 0.00 WT4 H ATOM 48210 H2 TIP3 988 52.160 83.272 4.535 1.00 0.00 WT4 H ATOM 48211 OH2 TIP3 992 84.669 67.221 24.471 1.00 0.00 WT4 O ATOM 48212 H1 TIP3 992 84.708 66.643 25.234 1.00 0.00 WT4 H ATOM 48213 H2 TIP3 992 83.986 66.843 23.918 1.00 0.00 WT4 H ATOM 48214 OH2 TIP3 993 85.552 54.319 -17.004 1.00 0.00 WT4 O ATOM 48215 H1 TIP3 993 86.074 53.911 -16.313 1.00 0.00 WT4 H ATOM 48216 H2 TIP3 993 84.675 54.396 -16.628 1.00 0.00 WT4 H ATOM 48217 OH2 TIP3 995 88.738 64.748 -0.032 1.00 0.00 WT4 O ATOM 48218 H1 TIP3 995 89.112 64.756 0.849 1.00 0.00 WT4 H ATOM 48219 H2 TIP3 995 87.793 64.692 0.109 1.00 0.00 WT4 H ATOM 48220 OH2 TIP3 1007 41.179 89.612 23.518 1.00 0.00 WT4 O ATOM 48221 H1 TIP3 1007 40.549 89.149 24.070 1.00 0.00 WT4 H ATOM 48222 H2 TIP3 1007 41.334 90.440 23.974 1.00 0.00 WT4 H ATOM 48223 OH2 TIP3 1010 88.952 6.990 2.302 1.00 0.00 WT4 O ATOM 48224 H1 TIP3 1010 89.880 7.051 2.073 1.00 0.00 WT4 H ATOM 48225 H2 TIP3 1010 88.795 7.746 2.868 1.00 0.00 WT4 H ATOM 48226 OH2 TIP3 1011 63.384 20.902 41.653 1.00 0.00 WT4 O ATOM 48227 H1 TIP3 1011 63.237 20.912 42.599 1.00 0.00 WT4 H ATOM 48228 H2 TIP3 1011 62.989 20.082 41.358 1.00 0.00 WT4 H ATOM 48229 OH2 TIP3 1013 50.052 5.467 -15.320 1.00 0.00 WT4 O ATOM 48230 H1 TIP3 1013 49.806 6.243 -14.817 1.00 0.00 WT4 H ATOM 48231 H2 TIP3 1013 49.290 4.891 -15.258 1.00 0.00 WT4 H ATOM 48232 OH2 TIP3 1014 40.102 53.065 0.282 1.00 0.00 WT4 O ATOM 48233 H1 TIP3 1014 40.564 53.901 0.347 1.00 0.00 WT4 H ATOM 48234 H2 TIP3 1014 40.474 52.530 0.983 1.00 0.00 WT4 H ATOM 48235 OH2 TIP3 1017 85.164 33.498 44.943 1.00 0.00 WT4 O ATOM 48236 H1 TIP3 1017 84.524 33.293 45.624 1.00 0.00 WT4 H ATOM 48237 H2 TIP3 1017 85.296 34.443 45.014 1.00 0.00 WT4 H ATOM 48238 OH2 TIP3 1018 28.492 79.139 5.066 1.00 0.00 WT4 O ATOM 48239 H1 TIP3 1018 28.894 79.419 5.888 1.00 0.00 WT4 H ATOM 48240 H2 TIP3 1018 28.235 79.954 4.634 1.00 0.00 WT4 H ATOM 48241 OH2 TIP3 1027 72.669 67.441 24.914 1.00 0.00 WT4 O ATOM 48242 H1 TIP3 1027 72.903 67.556 25.835 1.00 0.00 WT4 H ATOM 48243 H2 TIP3 1027 71.938 68.045 24.775 1.00 0.00 WT4 H ATOM 48244 OH2 TIP3 1032 30.289 51.182 -13.404 1.00 0.00 WT4 O ATOM 48245 H1 TIP3 1032 29.593 51.702 -13.807 1.00 0.00 WT4 H ATOM 48246 H2 TIP3 1032 31.081 51.706 -13.524 1.00 0.00 WT4 H ATOM 48247 OH2 TIP3 1033 57.904 90.796 61.834 1.00 0.00 WT4 O ATOM 48248 H1 TIP3 1033 58.617 91.224 62.310 1.00 0.00 WT4 H ATOM 48249 H2 TIP3 1033 58.319 90.049 61.402 1.00 0.00 WT4 H ATOM 48250 OH2 TIP3 1040 57.834 95.240 51.671 1.00 0.00 WT4 O ATOM 48251 H1 TIP3 1040 58.725 95.039 51.961 1.00 0.00 WT4 H ATOM 48252 H2 TIP3 1040 57.273 94.887 52.362 1.00 0.00 WT4 H ATOM 48253 OH2 TIP3 1051 88.392 8.317 43.068 1.00 0.00 WT4 O ATOM 48254 H1 TIP3 1051 87.789 8.236 43.807 1.00 0.00 WT4 H ATOM 48255 H2 TIP3 1051 89.120 7.735 43.287 1.00 0.00 WT4 H ATOM 48256 OH2 TIP3 1053 27.755 76.486 61.766 1.00 0.00 WT4 O ATOM 48257 H1 TIP3 1053 28.439 77.068 62.099 1.00 0.00 WT4 H ATOM 48258 H2 TIP3 1053 26.958 77.016 61.790 1.00 0.00 WT4 H ATOM 48259 OH2 TIP3 1054 67.814 26.178 -19.085 1.00 0.00 WT4 O ATOM 48260 H1 TIP3 1054 67.170 26.787 -18.724 1.00 0.00 WT4 H ATOM 48261 H2 TIP3 1054 68.592 26.302 -18.542 1.00 0.00 WT4 H ATOM 48262 OH2 TIP3 1055 60.056 75.209 18.636 1.00 0.00 WT4 O ATOM 48263 H1 TIP3 1055 59.584 74.998 19.441 1.00 0.00 WT4 H ATOM 48264 H2 TIP3 1055 60.097 74.381 18.157 1.00 0.00 WT4 H ATOM 48265 OH2 TIP3 1058 59.413 86.560 62.546 1.00 0.00 WT4 O ATOM 48266 H1 TIP3 1058 59.807 86.155 61.774 1.00 0.00 WT4 H ATOM 48267 H2 TIP3 1058 58.868 85.872 62.927 1.00 0.00 WT4 H ATOM 48268 OH2 TIP3 1059 70.573 40.338 39.563 1.00 0.00 WT4 O ATOM 48269 H1 TIP3 1059 70.005 40.976 39.994 1.00 0.00 WT4 H ATOM 48270 H2 TIP3 1059 70.091 40.078 38.778 1.00 0.00 WT4 H ATOM 48271 OH2 TIP3 1076 88.396 94.495 18.918 1.00 0.00 WT4 O ATOM 48272 H1 TIP3 1076 88.742 93.741 18.439 1.00 0.00 WT4 H ATOM 48273 H2 TIP3 1076 88.644 94.335 19.828 1.00 0.00 WT4 H ATOM 48274 OH2 TIP3 1094 86.754 10.469 45.755 1.00 0.00 WT4 O ATOM 48275 H1 TIP3 1094 86.887 9.615 46.166 1.00 0.00 WT4 H ATOM 48276 H2 TIP3 1094 86.950 11.101 46.447 1.00 0.00 WT4 H ATOM 48277 OH2 TIP3 1096 74.191 37.412 10.161 1.00 0.00 WT4 O ATOM 48278 H1 TIP3 1096 73.637 38.160 9.934 1.00 0.00 WT4 H ATOM 48279 H2 TIP3 1096 73.655 36.888 10.756 1.00 0.00 WT4 H ATOM 48280 OH2 TIP3 1098 81.730 90.428 -4.203 1.00 0.00 WT4 O ATOM 48281 H1 TIP3 1098 81.231 89.614 -4.276 1.00 0.00 WT4 H ATOM 48282 H2 TIP3 1098 82.450 90.325 -4.824 1.00 0.00 WT4 H ATOM 48283 OH2 TIP3 1112 61.699 37.642 23.023 1.00 0.00 WT4 O ATOM 48284 H1 TIP3 1112 60.869 37.652 22.548 1.00 0.00 WT4 H ATOM 48285 H2 TIP3 1112 61.570 38.257 23.746 1.00 0.00 WT4 H ATOM 48286 OH2 TIP3 1115 44.811 71.856 34.433 1.00 0.00 WT4 O ATOM 48287 H1 TIP3 1115 45.119 70.956 34.538 1.00 0.00 WT4 H ATOM 48288 H2 TIP3 1115 45.607 72.366 34.284 1.00 0.00 WT4 H ATOM 48289 OH2 TIP3 1117 71.199 75.379 40.091 1.00 0.00 WT4 O ATOM 48290 H1 TIP3 1117 71.117 74.443 40.273 1.00 0.00 WT4 H ATOM 48291 H2 TIP3 1117 71.788 75.705 40.772 1.00 0.00 WT4 H ATOM 48292 OH2 TIP3 1119 50.166 94.626 -0.073 1.00 0.00 WT4 O ATOM 48293 H1 TIP3 1119 51.071 94.581 -0.380 1.00 0.00 WT4 H ATOM 48294 H2 TIP3 1119 49.639 94.456 -0.854 1.00 0.00 WT4 H ATOM 48295 OH2 TIP3 1122 28.337 60.758 46.159 1.00 0.00 WT4 O ATOM 48296 H1 TIP3 1122 27.439 60.428 46.190 1.00 0.00 WT4 H ATOM 48297 H2 TIP3 1122 28.273 61.581 45.674 1.00 0.00 WT4 H ATOM 48298 OH2 TIP3 1137 36.420 93.130 52.288 1.00 0.00 WT4 O ATOM 48299 H1 TIP3 1137 35.775 93.147 51.582 1.00 0.00 WT4 H ATOM 48300 H2 TIP3 1137 35.972 93.532 53.033 1.00 0.00 WT4 H ATOM 48301 OH2 TIP3 1201 36.243 77.399 45.435 1.00 0.00 WT4 O ATOM 48302 H1 TIP3 1201 36.095 78.337 45.309 1.00 0.00 WT4 H ATOM 48303 H2 TIP3 1201 36.347 77.297 46.381 1.00 0.00 WT4 H ATOM 48304 OH2 TIP3 1301 29.704 18.600 52.462 1.00 0.00 WT4 O ATOM 48305 H1 TIP3 1301 30.133 18.659 53.315 1.00 0.00 WT4 H ATOM 48306 H2 TIP3 1301 30.299 19.052 51.863 1.00 0.00 WT4 H ATOM 48307 OH2 TIP3 1305 87.819 60.517 41.023 1.00 0.00 WT4 O ATOM 48308 H1 TIP3 1305 88.235 60.663 40.173 1.00 0.00 WT4 H ATOM 48309 H2 TIP3 1305 87.490 59.619 40.978 1.00 0.00 WT4 H ATOM 48310 OH2 TIP3 1307 49.213 88.367 -0.332 1.00 0.00 WT4 O ATOM 48311 H1 TIP3 1307 49.423 87.962 0.510 1.00 0.00 WT4 H ATOM 48312 H2 TIP3 1307 50.064 88.561 -0.723 1.00 0.00 WT4 H ATOM 48313 OH2 TIP3 1308 30.064 79.252 28.476 1.00 0.00 WT4 O ATOM 48314 H1 TIP3 1308 29.430 79.023 27.797 1.00 0.00 WT4 H ATOM 48315 H2 TIP3 1308 29.844 80.152 28.717 1.00 0.00 WT4 H ATOM 48316 OH2 TIP3 1322 80.668 74.375 52.719 1.00 0.00 WT4 O ATOM 48317 H1 TIP3 1322 80.001 73.757 52.418 1.00 0.00 WT4 H ATOM 48318 H2 TIP3 1322 81.069 74.707 51.916 1.00 0.00 WT4 H ATOM 48319 OH2 TIP3 1327 40.122 47.143 41.373 1.00 0.00 WT4 O ATOM 48320 H1 TIP3 1327 40.071 47.745 42.115 1.00 0.00 WT4 H ATOM 48321 H2 TIP3 1327 39.356 46.576 41.470 1.00 0.00 WT4 H ATOM 48322 OH2 TIP3 1328 21.670 35.901 41.377 1.00 0.00 WT4 O ATOM 48323 H1 TIP3 1328 22.590 36.000 41.133 1.00 0.00 WT4 H ATOM 48324 H2 TIP3 1328 21.336 36.797 41.419 1.00 0.00 WT4 H ATOM 48325 OH2 TIP3 1329 43.324 74.727 56.579 1.00 0.00 WT4 O ATOM 48326 H1 TIP3 1329 43.568 75.021 55.702 1.00 0.00 WT4 H ATOM 48327 H2 TIP3 1329 42.402 74.968 56.665 1.00 0.00 WT4 H ATOM 48328 OH2 TIP3 1330 36.748 66.889 16.325 1.00 0.00 WT4 O ATOM 48329 H1 TIP3 1330 37.457 67.425 16.680 1.00 0.00 WT4 H ATOM 48330 H2 TIP3 1330 37.135 66.448 15.569 1.00 0.00 WT4 H ATOM 48331 OH2 TIP3 1331 30.013 68.159 42.143 1.00 0.00 WT4 O ATOM 48332 H1 TIP3 1331 30.940 67.919 42.133 1.00 0.00 WT4 H ATOM 48333 H2 TIP3 1331 29.994 69.056 41.809 1.00 0.00 WT4 H ATOM 48334 OH2 TIP3 1333 42.410 3.486 -1.032 1.00 0.00 WT4 O ATOM 48335 H1 TIP3 1333 43.281 3.319 -1.391 1.00 0.00 WT4 H ATOM 48336 H2 TIP3 1333 42.565 4.069 -0.288 1.00 0.00 WT4 H ATOM 48337 OH2 TIP3 1344 82.992 54.016 5.413 1.00 0.00 WT4 O ATOM 48338 H1 TIP3 1344 82.703 54.111 6.321 1.00 0.00 WT4 H ATOM 48339 H2 TIP3 1344 83.478 53.192 5.401 1.00 0.00 WT4 H ATOM 48340 OH2 TIP3 1349 24.620 66.700 46.476 1.00 0.00 WT4 O ATOM 48341 H1 TIP3 1349 25.533 66.874 46.246 1.00 0.00 WT4 H ATOM 48342 H2 TIP3 1349 24.664 65.976 47.101 1.00 0.00 WT4 H ATOM 48343 OH2 TIP3 1350 31.529 62.801 56.445 1.00 0.00 WT4 O ATOM 48344 H1 TIP3 1350 31.211 63.700 56.370 1.00 0.00 WT4 H ATOM 48345 H2 TIP3 1350 32.035 62.657 55.645 1.00 0.00 WT4 H ATOM 48346 OH2 TIP3 1351 50.061 56.069 50.409 1.00 0.00 WT4 O ATOM 48347 H1 TIP3 1351 50.241 55.633 49.576 1.00 0.00 WT4 H ATOM 48348 H2 TIP3 1351 50.303 56.983 50.258 1.00 0.00 WT4 H ATOM 48349 OH2 TIP3 1352 85.552 56.222 58.321 1.00 0.00 WT4 O ATOM 48350 H1 TIP3 1352 84.718 56.296 57.857 1.00 0.00 WT4 H ATOM 48351 H2 TIP3 1352 85.350 55.696 59.095 1.00 0.00 WT4 H ATOM 48352 OH2 TIP3 1354 22.880 44.534 58.211 1.00 0.00 WT4 O ATOM 48353 H1 TIP3 1354 22.155 44.934 58.691 1.00 0.00 WT4 H ATOM 48354 H2 TIP3 1354 22.500 43.753 57.809 1.00 0.00 WT4 H ATOM 48355 OH2 TIP3 1367 21.321 15.120 64.308 1.00 0.00 WT4 O ATOM 48356 H1 TIP3 1367 20.469 15.552 64.373 1.00 0.00 WT4 H ATOM 48357 H2 TIP3 1367 21.115 14.220 64.055 1.00 0.00 WT4 H ATOM 48358 OH2 TIP3 1368 38.378 6.804 -13.207 1.00 0.00 WT4 O ATOM 48359 H1 TIP3 1368 39.009 7.432 -13.557 1.00 0.00 WT4 H ATOM 48360 H2 TIP3 1368 38.792 6.464 -12.414 1.00 0.00 WT4 H ATOM 48361 OH2 TIP3 1370 38.925 76.756 24.200 1.00 0.00 WT4 O ATOM 48362 H1 TIP3 1370 39.391 76.510 25.000 1.00 0.00 WT4 H ATOM 48363 H2 TIP3 1370 38.806 75.932 23.728 1.00 0.00 WT4 H ATOM 48364 OH2 TIP3 1371 84.944 58.562 -4.638 1.00 0.00 WT4 O ATOM 48365 H1 TIP3 1371 85.366 58.664 -3.785 1.00 0.00 WT4 H ATOM 48366 H2 TIP3 1371 84.701 57.636 -4.677 1.00 0.00 WT4 H ATOM 48367 OH2 TIP3 1374 30.683 67.473 45.338 1.00 0.00 WT4 O ATOM 48368 H1 TIP3 1374 30.349 66.893 44.653 1.00 0.00 WT4 H ATOM 48369 H2 TIP3 1374 30.979 68.253 44.869 1.00 0.00 WT4 H ATOM 48370 OH2 TIP3 1375 79.401 68.595 57.797 1.00 0.00 WT4 O ATOM 48371 H1 TIP3 1375 80.274 68.216 57.698 1.00 0.00 WT4 H ATOM 48372 H2 TIP3 1375 78.975 68.439 56.955 1.00 0.00 WT4 H ATOM 48373 OH2 TIP3 1386 21.563 66.319 37.059 1.00 0.00 WT4 O ATOM 48374 H1 TIP3 1386 20.671 65.993 36.940 1.00 0.00 WT4 H ATOM 48375 H2 TIP3 1386 21.647 67.030 36.424 1.00 0.00 WT4 H ATOM 48376 OH2 TIP3 1387 50.691 71.911 7.507 1.00 0.00 WT4 O ATOM 48377 H1 TIP3 1387 51.247 72.675 7.662 1.00 0.00 WT4 H ATOM 48378 H2 TIP3 1387 50.754 71.401 8.315 1.00 0.00 WT4 H ATOM 48379 OH2 TIP3 1388 49.846 14.058 -18.128 1.00 0.00 WT4 O ATOM 48380 H1 TIP3 1388 50.211 14.426 -18.933 1.00 0.00 WT4 H ATOM 48381 H2 TIP3 1388 50.489 13.407 -17.849 1.00 0.00 WT4 H ATOM 48382 OH2 TIP3 1389 45.070 9.308 45.048 1.00 0.00 WT4 O ATOM 48383 H1 TIP3 1389 44.791 9.496 45.945 1.00 0.00 WT4 H ATOM 48384 H2 TIP3 1389 45.098 10.164 44.621 1.00 0.00 WT4 H ATOM 48385 OH2 TIP3 1392 47.690 71.786 3.153 1.00 0.00 WT4 O ATOM 48386 H1 TIP3 1392 47.573 70.990 3.673 1.00 0.00 WT4 H ATOM 48387 H2 TIP3 1392 48.635 71.843 3.011 1.00 0.00 WT4 H ATOM 48388 OH2 TIP3 1393 27.467 7.693 -10.769 1.00 0.00 WT4 O ATOM 48389 H1 TIP3 1393 27.625 8.515 -10.304 1.00 0.00 WT4 H ATOM 48390 H2 TIP3 1393 28.331 7.288 -10.838 1.00 0.00 WT4 H ATOM 48391 OH2 TIP3 1407 42.675 80.530 64.760 1.00 0.00 WT4 O ATOM 48392 H1 TIP3 1407 42.436 81.454 64.685 1.00 0.00 WT4 H ATOM 48393 H2 TIP3 1407 42.714 80.368 65.702 1.00 0.00 WT4 H ATOM 48394 OH2 TIP3 1408 84.419 57.970 44.252 1.00 0.00 WT4 O ATOM 48395 H1 TIP3 1408 83.704 58.022 44.887 1.00 0.00 WT4 H ATOM 48396 H2 TIP3 1408 85.199 58.220 44.748 1.00 0.00 WT4 H ATOM 48397 OH2 TIP3 1411 44.862 29.102 -8.515 1.00 0.00 WT4 O ATOM 48398 H1 TIP3 1411 44.827 28.151 -8.613 1.00 0.00 WT4 H ATOM 48399 H2 TIP3 1411 43.949 29.383 -8.569 1.00 0.00 WT4 H ATOM 48400 OH2 TIP3 1412 59.604 58.102 33.160 1.00 0.00 WT4 O ATOM 48401 H1 TIP3 1412 59.712 58.089 32.209 1.00 0.00 WT4 H ATOM 48402 H2 TIP3 1412 58.658 58.040 33.294 1.00 0.00 WT4 H ATOM 48403 OH2 TIP3 1413 86.651 55.446 61.481 1.00 0.00 WT4 O ATOM 48404 H1 TIP3 1413 86.725 54.593 61.907 1.00 0.00 WT4 H ATOM 48405 H2 TIP3 1413 85.781 55.762 61.725 1.00 0.00 WT4 H ATOM 48406 OH2 TIP3 1414 77.015 31.350 -0.489 1.00 0.00 WT4 O ATOM 48407 H1 TIP3 1414 76.930 30.541 0.016 1.00 0.00 WT4 H ATOM 48408 H2 TIP3 1414 76.163 31.458 -0.913 1.00 0.00 WT4 H ATOM 48409 OH2 TIP3 1415 83.445 66.574 -3.224 1.00 0.00 WT4 O ATOM 48410 H1 TIP3 1415 83.539 66.619 -4.176 1.00 0.00 WT4 H ATOM 48411 H2 TIP3 1415 82.507 66.446 -3.081 1.00 0.00 WT4 H ATOM 48412 OH2 TIP3 1418 79.977 87.824 4.471 1.00 0.00 WT4 O ATOM 48413 H1 TIP3 1418 80.610 88.457 4.131 1.00 0.00 WT4 H ATOM 48414 H2 TIP3 1418 79.464 87.564 3.705 1.00 0.00 WT4 H ATOM 48415 OH2 TIP3 1425 87.239 3.120 8.110 1.00 0.00 WT4 O ATOM 48416 H1 TIP3 1425 87.374 4.019 8.409 1.00 0.00 WT4 H ATOM 48417 H2 TIP3 1425 86.334 3.103 7.801 1.00 0.00 WT4 H ATOM 48418 OH2 TIP3 1427 39.359 44.033 -9.869 1.00 0.00 WT4 O ATOM 48419 H1 TIP3 1427 38.636 43.418 -9.990 1.00 0.00 WT4 H ATOM 48420 H2 TIP3 1427 39.069 44.834 -10.304 1.00 0.00 WT4 H ATOM 48421 OH2 TIP3 1428 89.927 48.507 7.029 1.00 0.00 WT4 O ATOM 48422 H1 TIP3 1428 90.800 48.328 7.377 1.00 0.00 WT4 H ATOM 48423 H2 TIP3 1428 89.408 48.751 7.795 1.00 0.00 WT4 H ATOM 48424 OH2 TIP3 1429 73.371 26.516 60.809 1.00 0.00 WT4 O ATOM 48425 H1 TIP3 1429 73.981 26.579 60.074 1.00 0.00 WT4 H ATOM 48426 H2 TIP3 1429 72.865 25.723 60.633 1.00 0.00 WT4 H ATOM 48427 OH2 TIP3 1430 59.359 90.768 -7.524 1.00 0.00 WT4 O ATOM 48428 H1 TIP3 1430 58.447 90.480 -7.571 1.00 0.00 WT4 H ATOM 48429 H2 TIP3 1430 59.579 90.720 -6.594 1.00 0.00 WT4 H ATOM 48430 OH2 TIP3 1431 69.069 78.514 62.826 1.00 0.00 WT4 O ATOM 48431 H1 TIP3 1431 69.702 78.658 62.123 1.00 0.00 WT4 H ATOM 48432 H2 TIP3 1431 69.184 77.595 63.067 1.00 0.00 WT4 H ATOM 48433 OH2 TIP3 1433 21.356 86.136 1.857 1.00 0.00 WT4 O ATOM 48434 H1 TIP3 1433 21.549 85.204 1.752 1.00 0.00 WT4 H ATOM 48435 H2 TIP3 1433 20.834 86.361 1.088 1.00 0.00 WT4 H ATOM 48436 OH2 TIP3 1435 75.097 86.539 -3.758 1.00 0.00 WT4 O ATOM 48437 H1 TIP3 1435 74.594 86.158 -4.478 1.00 0.00 WT4 H ATOM 48438 H2 TIP3 1435 75.241 85.810 -3.154 1.00 0.00 WT4 H ATOM 48439 OH2 TIP3 1450 56.357 84.722 -8.549 1.00 0.00 WT4 O ATOM 48440 H1 TIP3 1450 56.279 83.781 -8.388 1.00 0.00 WT4 H ATOM 48441 H2 TIP3 1450 56.546 84.791 -9.484 1.00 0.00 WT4 H ATOM 48442 OH2 TIP3 1451 48.258 87.053 57.824 1.00 0.00 WT4 O ATOM 48443 H1 TIP3 1451 49.211 86.968 57.839 1.00 0.00 WT4 H ATOM 48444 H2 TIP3 1451 48.043 87.173 56.899 1.00 0.00 WT4 H ATOM 48445 OH2 TIP3 1452 35.094 16.425 29.416 1.00 0.00 WT4 O ATOM 48446 H1 TIP3 1452 35.344 17.007 28.698 1.00 0.00 WT4 H ATOM 48447 H2 TIP3 1452 35.158 15.545 29.044 1.00 0.00 WT4 H ATOM 48448 OH2 TIP3 1453 31.254 76.689 63.686 1.00 0.00 WT4 O ATOM 48449 H1 TIP3 1453 30.881 75.807 63.703 1.00 0.00 WT4 H ATOM 48450 H2 TIP3 1453 31.225 76.979 64.598 1.00 0.00 WT4 H ATOM 48451 OH2 TIP3 1454 83.658 33.542 58.276 1.00 0.00 WT4 O ATOM 48452 H1 TIP3 1454 83.127 33.760 59.042 1.00 0.00 WT4 H ATOM 48453 H2 TIP3 1454 84.313 32.926 58.606 1.00 0.00 WT4 H ATOM 48454 OH2 TIP3 1457 33.273 74.566 -5.090 1.00 0.00 WT4 O ATOM 48455 H1 TIP3 1457 33.720 74.711 -5.924 1.00 0.00 WT4 H ATOM 48456 H2 TIP3 1457 33.351 73.624 -4.937 1.00 0.00 WT4 H ATOM 48457 OH2 TIP3 1458 29.178 87.627 18.790 1.00 0.00 WT4 O ATOM 48458 H1 TIP3 1458 29.169 88.033 19.657 1.00 0.00 WT4 H ATOM 48459 H2 TIP3 1458 29.221 86.687 18.965 1.00 0.00 WT4 H ATOM 48460 OH2 TIP3 1474 36.455 58.275 55.630 1.00 0.00 WT4 O ATOM 48461 H1 TIP3 1474 36.655 59.071 55.137 1.00 0.00 WT4 H ATOM 48462 H2 TIP3 1474 36.917 58.385 56.461 1.00 0.00 WT4 H ATOM 48463 OH2 TIP3 1478 57.827 7.806 41.416 1.00 0.00 WT4 O ATOM 48464 H1 TIP3 1478 57.725 7.875 40.466 1.00 0.00 WT4 H ATOM 48465 H2 TIP3 1478 56.972 8.054 41.767 1.00 0.00 WT4 H ATOM 48466 OH2 TIP3 1480 46.879 32.519 -2.660 1.00 0.00 WT4 O ATOM 48467 H1 TIP3 1480 47.225 33.402 -2.534 1.00 0.00 WT4 H ATOM 48468 H2 TIP3 1480 46.302 32.593 -3.420 1.00 0.00 WT4 H ATOM 48469 OH2 TIP3 1493 80.715 79.231 59.608 1.00 0.00 WT4 O ATOM 48470 H1 TIP3 1493 80.609 79.388 58.670 1.00 0.00 WT4 H ATOM 48471 H2 TIP3 1493 80.316 78.373 59.754 1.00 0.00 WT4 H ATOM 48472 OH2 TIP3 1494 72.709 39.502 -12.994 1.00 0.00 WT4 O ATOM 48473 H1 TIP3 1494 73.263 40.281 -12.944 1.00 0.00 WT4 H ATOM 48474 H2 TIP3 1494 72.931 39.000 -12.210 1.00 0.00 WT4 H ATOM 48475 OH2 TIP3 1496 38.772 60.487 1.133 1.00 0.00 WT4 O ATOM 48476 H1 TIP3 1496 38.905 61.435 1.108 1.00 0.00 WT4 H ATOM 48477 H2 TIP3 1496 38.782 60.268 2.065 1.00 0.00 WT4 H ATOM 48478 OH2 TIP3 1497 85.381 30.141 30.131 1.00 0.00 WT4 O ATOM 48479 H1 TIP3 1497 84.666 29.994 29.513 1.00 0.00 WT4 H ATOM 48480 H2 TIP3 1497 85.563 31.079 30.070 1.00 0.00 WT4 H ATOM 48481 OH2 TIP3 1499 52.255 54.085 46.025 1.00 0.00 WT4 O ATOM 48482 H1 TIP3 1499 52.675 53.662 45.276 1.00 0.00 WT4 H ATOM 48483 H2 TIP3 1499 51.500 54.540 45.651 1.00 0.00 WT4 H ATOM 48484 OH2 TIP3 1512 24.791 75.315 36.602 1.00 0.00 WT4 O ATOM 48485 H1 TIP3 1512 25.673 75.677 36.679 1.00 0.00 WT4 H ATOM 48486 H2 TIP3 1512 24.915 74.472 36.166 1.00 0.00 WT4 H ATOM 48487 OH2 TIP3 1515 77.258 80.087 30.370 1.00 0.00 WT4 O ATOM 48488 H1 TIP3 1515 77.665 79.258 30.623 1.00 0.00 WT4 H ATOM 48489 H2 TIP3 1515 76.681 79.858 29.642 1.00 0.00 WT4 H ATOM 48490 OH2 TIP3 1519 76.213 72.325 57.609 1.00 0.00 WT4 O ATOM 48491 H1 TIP3 1519 75.563 72.264 58.310 1.00 0.00 WT4 H ATOM 48492 H2 TIP3 1519 75.793 71.909 56.856 1.00 0.00 WT4 H ATOM 48493 OH2 TIP3 1532 73.378 79.463 49.777 1.00 0.00 WT4 O ATOM 48494 H1 TIP3 1532 72.550 79.842 49.483 1.00 0.00 WT4 H ATOM 48495 H2 TIP3 1532 74.047 79.937 49.282 1.00 0.00 WT4 H ATOM 48496 OH2 TIP3 1551 53.298 87.385 49.600 1.00 0.00 WT4 O ATOM 48497 H1 TIP3 1551 54.127 87.785 49.863 1.00 0.00 WT4 H ATOM 48498 H2 TIP3 1551 53.246 87.540 48.657 1.00 0.00 WT4 H ATOM 48499 OH2 TIP3 1558 30.438 67.425 -0.318 1.00 0.00 WT4 O ATOM 48500 H1 TIP3 1558 31.028 68.178 -0.352 1.00 0.00 WT4 H ATOM 48501 H2 TIP3 1558 30.914 66.726 -0.765 1.00 0.00 WT4 H ATOM 48502 OH2 TIP3 1559 70.993 28.323 42.374 1.00 0.00 WT4 O ATOM 48503 H1 TIP3 1559 70.056 28.173 42.250 1.00 0.00 WT4 H ATOM 48504 H2 TIP3 1559 71.053 29.226 42.685 1.00 0.00 WT4 H ATOM 48505 OH2 TIP3 1618 64.891 4.507 7.997 1.00 0.00 WT4 O ATOM 48506 H1 TIP3 1618 64.371 3.765 8.306 1.00 0.00 WT4 H ATOM 48507 H2 TIP3 1618 64.244 5.144 7.693 1.00 0.00 WT4 H ATOM 48508 OH2 TIP3 1621 31.532 42.198 -13.309 1.00 0.00 WT4 O ATOM 48509 H1 TIP3 1621 31.801 43.062 -12.996 1.00 0.00 WT4 H ATOM 48510 H2 TIP3 1621 30.737 42.000 -12.813 1.00 0.00 WT4 H ATOM 48511 OH2 TIP3 1707 48.685 50.260 51.507 1.00 0.00 WT4 O ATOM 48512 H1 TIP3 1707 49.540 49.830 51.516 1.00 0.00 WT4 H ATOM 48513 H2 TIP3 1707 48.558 50.523 50.596 1.00 0.00 WT4 H ATOM 48514 OH2 TIP3 1712 61.935 35.647 33.760 1.00 0.00 WT4 O ATOM 48515 H1 TIP3 1712 61.242 34.987 33.737 1.00 0.00 WT4 H ATOM 48516 H2 TIP3 1712 62.061 35.896 32.844 1.00 0.00 WT4 H ATOM 48517 OH2 TIP3 1723 46.157 61.621 1.085 1.00 0.00 WT4 O ATOM 48518 H1 TIP3 1723 47.071 61.616 1.371 1.00 0.00 WT4 H ATOM 48519 H2 TIP3 1723 45.667 61.913 1.854 1.00 0.00 WT4 H ATOM 48520 OH2 TIP3 1725 57.655 52.469 35.768 1.00 0.00 WT4 O ATOM 48521 H1 TIP3 1725 57.664 53.287 35.271 1.00 0.00 WT4 H ATOM 48522 H2 TIP3 1725 56.749 52.379 36.064 1.00 0.00 WT4 H ATOM 48523 OH2 TIP3 1730 72.344 60.663 50.584 1.00 0.00 WT4 O ATOM 48524 H1 TIP3 1730 72.840 61.391 50.960 1.00 0.00 WT4 H ATOM 48525 H2 TIP3 1730 72.021 61.000 49.748 1.00 0.00 WT4 H ATOM 48526 OH2 TIP3 1733 62.040 2.257 45.203 1.00 0.00 WT4 O ATOM 48527 H1 TIP3 1733 62.722 1.776 44.735 1.00 0.00 WT4 H ATOM 48528 H2 TIP3 1733 62.051 1.891 46.087 1.00 0.00 WT4 H ATOM 48529 OH2 TIP3 1746 40.695 82.719 47.888 1.00 0.00 WT4 O ATOM 48530 H1 TIP3 1746 39.856 82.970 48.275 1.00 0.00 WT4 H ATOM 48531 H2 TIP3 1746 40.460 82.264 47.080 1.00 0.00 WT4 H ATOM 48532 OH2 TIP3 1748 73.022 41.951 -16.024 1.00 0.00 WT4 O ATOM 48533 H1 TIP3 1748 73.912 41.864 -16.366 1.00 0.00 WT4 H ATOM 48534 H2 TIP3 1748 73.105 42.558 -15.289 1.00 0.00 WT4 H ATOM 48535 OH2 TIP3 1750 42.781 84.210 -1.825 1.00 0.00 WT4 O ATOM 48536 H1 TIP3 1750 43.008 83.283 -1.898 1.00 0.00 WT4 H ATOM 48537 H2 TIP3 1750 42.911 84.417 -0.900 1.00 0.00 WT4 H ATOM 48538 OH2 TIP3 1764 52.862 94.850 -9.714 1.00 0.00 WT4 O ATOM 48539 H1 TIP3 1764 52.343 95.556 -9.328 1.00 0.00 WT4 H ATOM 48540 H2 TIP3 1764 52.298 94.078 -9.653 1.00 0.00 WT4 H ATOM 48541 OH2 TIP3 1766 58.059 81.123 33.125 1.00 0.00 WT4 O ATOM 48542 H1 TIP3 1766 57.136 81.261 33.337 1.00 0.00 WT4 H ATOM 48543 H2 TIP3 1766 58.425 80.709 33.907 1.00 0.00 WT4 H ATOM 48544 OH2 TIP3 1768 41.472 21.643 -17.693 1.00 0.00 WT4 O ATOM 48545 H1 TIP3 1768 41.505 21.258 -18.569 1.00 0.00 WT4 H ATOM 48546 H2 TIP3 1768 40.798 21.141 -17.235 1.00 0.00 WT4 H ATOM 48547 OH2 TIP3 1771 78.445 25.029 -11.494 1.00 0.00 WT4 O ATOM 48548 H1 TIP3 1771 77.787 25.043 -10.799 1.00 0.00 WT4 H ATOM 48549 H2 TIP3 1771 78.001 25.404 -12.254 1.00 0.00 WT4 H ATOM 48550 OH2 TIP3 1773 47.439 50.543 -5.281 1.00 0.00 WT4 O ATOM 48551 H1 TIP3 1773 47.076 49.844 -4.737 1.00 0.00 WT4 H ATOM 48552 H2 TIP3 1773 47.967 51.067 -4.678 1.00 0.00 WT4 H ATOM 48553 OH2 TIP3 1788 52.036 20.762 -15.423 1.00 0.00 WT4 O ATOM 48554 H1 TIP3 1788 51.996 20.129 -16.141 1.00 0.00 WT4 H ATOM 48555 H2 TIP3 1788 51.722 21.580 -15.807 1.00 0.00 WT4 H ATOM 48556 OH2 TIP3 1789 75.526 63.039 3.950 1.00 0.00 WT4 O ATOM 48557 H1 TIP3 1789 75.708 63.160 4.882 1.00 0.00 WT4 H ATOM 48558 H2 TIP3 1789 74.572 63.067 3.886 1.00 0.00 WT4 H ATOM 48559 OH2 TIP3 1790 74.004 37.092 -15.602 1.00 0.00 WT4 O ATOM 48560 H1 TIP3 1790 74.300 37.999 -15.685 1.00 0.00 WT4 H ATOM 48561 H2 TIP3 1790 74.780 36.567 -15.801 1.00 0.00 WT4 H ATOM 48562 OH2 TIP3 1795 34.493 48.047 34.743 1.00 0.00 WT4 O ATOM 48563 H1 TIP3 1795 35.178 47.379 34.777 1.00 0.00 WT4 H ATOM 48564 H2 TIP3 1795 34.968 48.877 34.725 1.00 0.00 WT4 H ATOM 48565 OH2 TIP3 1796 23.724 90.721 43.664 1.00 0.00 WT4 O ATOM 48566 H1 TIP3 1796 22.967 90.152 43.808 1.00 0.00 WT4 H ATOM 48567 H2 TIP3 1796 23.991 90.541 42.763 1.00 0.00 WT4 H ATOM 48568 OH2 TIP3 1810 89.266 78.687 37.158 1.00 0.00 WT4 O ATOM 48569 H1 TIP3 1810 89.751 79.102 36.445 1.00 0.00 WT4 H ATOM 48570 H2 TIP3 1810 89.848 77.995 37.473 1.00 0.00 WT4 H ATOM 48571 OH2 TIP3 1811 69.768 34.461 55.496 1.00 0.00 WT4 O ATOM 48572 H1 TIP3 1811 70.213 35.085 54.922 1.00 0.00 WT4 H ATOM 48573 H2 TIP3 1811 69.729 33.652 54.986 1.00 0.00 WT4 H ATOM 48574 OH2 TIP3 1813 30.400 61.054 52.645 1.00 0.00 WT4 O ATOM 48575 H1 TIP3 1813 29.631 61.163 52.086 1.00 0.00 WT4 H ATOM 48576 H2 TIP3 1813 31.143 61.101 52.044 1.00 0.00 WT4 H ATOM 48577 OH2 TIP3 1814 42.296 21.520 31.090 1.00 0.00 WT4 O ATOM 48578 H1 TIP3 1814 42.946 21.334 31.768 1.00 0.00 WT4 H ATOM 48579 H2 TIP3 1814 42.501 20.903 30.387 1.00 0.00 WT4 H ATOM 48580 OH2 TIP3 1816 48.756 92.241 18.444 1.00 0.00 WT4 O ATOM 48581 H1 TIP3 1816 49.224 92.816 17.838 1.00 0.00 WT4 H ATOM 48582 H2 TIP3 1816 47.833 92.462 18.319 1.00 0.00 WT4 H ATOM 48583 OH2 TIP3 1829 87.504 85.991 21.372 1.00 0.00 WT4 O ATOM 48584 H1 TIP3 1829 86.915 86.504 21.925 1.00 0.00 WT4 H ATOM 48585 H2 TIP3 1829 88.376 86.158 21.729 1.00 0.00 WT4 H ATOM 48586 OH2 TIP3 1830 58.370 45.192 46.524 1.00 0.00 WT4 O ATOM 48587 H1 TIP3 1830 58.776 45.898 46.022 1.00 0.00 WT4 H ATOM 48588 H2 TIP3 1830 58.552 44.401 46.016 1.00 0.00 WT4 H ATOM 48589 OH2 TIP3 1831 44.696 68.197 62.661 1.00 0.00 WT4 O ATOM 48590 H1 TIP3 1831 44.554 68.263 61.717 1.00 0.00 WT4 H ATOM 48591 H2 TIP3 1831 43.867 67.867 63.007 1.00 0.00 WT4 H ATOM 48592 OH2 TIP3 1832 24.699 63.500 27.386 1.00 0.00 WT4 O ATOM 48593 H1 TIP3 1832 25.237 63.107 28.074 1.00 0.00 WT4 H ATOM 48594 H2 TIP3 1832 25.278 63.545 26.625 1.00 0.00 WT4 H ATOM 48595 OH2 TIP3 1835 57.546 63.927 50.470 1.00 0.00 WT4 O ATOM 48596 H1 TIP3 1835 57.592 63.300 49.748 1.00 0.00 WT4 H ATOM 48597 H2 TIP3 1835 57.560 64.785 50.044 1.00 0.00 WT4 H ATOM 48598 OH2 TIP3 1837 32.393 26.563 45.097 1.00 0.00 WT4 O ATOM 48599 H1 TIP3 1837 32.460 26.920 44.212 1.00 0.00 WT4 H ATOM 48600 H2 TIP3 1837 33.296 26.529 45.412 1.00 0.00 WT4 H ATOM 48601 OH2 TIP3 1847 22.736 94.520 -12.031 1.00 0.00 WT4 O ATOM 48602 H1 TIP3 1847 23.372 94.100 -12.610 1.00 0.00 WT4 H ATOM 48603 H2 TIP3 1847 23.132 94.471 -11.161 1.00 0.00 WT4 H ATOM 48604 OH2 TIP3 1850 88.557 5.912 46.177 1.00 0.00 WT4 O ATOM 48605 H1 TIP3 1850 89.321 5.348 46.296 1.00 0.00 WT4 H ATOM 48606 H2 TIP3 1850 87.907 5.569 46.789 1.00 0.00 WT4 H ATOM 48607 OH2 TIP3 1851 63.807 78.881 -13.081 1.00 0.00 WT4 O ATOM 48608 H1 TIP3 1851 63.193 78.321 -12.606 1.00 0.00 WT4 H ATOM 48609 H2 TIP3 1851 63.594 78.741 -14.004 1.00 0.00 WT4 H ATOM 48610 OH2 TIP3 1852 79.856 2.018 50.445 1.00 0.00 WT4 O ATOM 48611 H1 TIP3 1852 80.530 1.870 49.782 1.00 0.00 WT4 H ATOM 48612 H2 TIP3 1852 80.329 2.391 51.188 1.00 0.00 WT4 H ATOM 48613 OH2 TIP3 1853 39.451 41.888 45.679 1.00 0.00 WT4 O ATOM 48614 H1 TIP3 1853 40.354 42.104 45.446 1.00 0.00 WT4 H ATOM 48615 H2 TIP3 1853 38.953 42.041 44.877 1.00 0.00 WT4 H ATOM 48616 OH2 TIP3 1856 41.587 53.955 35.599 1.00 0.00 WT4 O ATOM 48617 H1 TIP3 1856 41.618 54.912 35.578 1.00 0.00 WT4 H ATOM 48618 H2 TIP3 1856 42.096 53.682 34.836 1.00 0.00 WT4 H ATOM 48619 OH2 TIP3 1870 64.239 2.594 48.685 1.00 0.00 WT4 O ATOM 48620 H1 TIP3 1870 64.859 2.933 49.331 1.00 0.00 WT4 H ATOM 48621 H2 TIP3 1870 64.593 2.876 47.842 1.00 0.00 WT4 H ATOM 48622 OH2 TIP3 1871 83.461 62.692 -11.250 1.00 0.00 WT4 O ATOM 48623 H1 TIP3 1871 83.984 62.107 -10.702 1.00 0.00 WT4 H ATOM 48624 H2 TIP3 1871 82.849 63.108 -10.643 1.00 0.00 WT4 H ATOM 48625 OH2 TIP3 1872 38.880 81.352 27.279 1.00 0.00 WT4 O ATOM 48626 H1 TIP3 1872 38.708 81.246 26.344 1.00 0.00 WT4 H ATOM 48627 H2 TIP3 1872 38.992 80.459 27.606 1.00 0.00 WT4 H ATOM 48628 OH2 TIP3 1873 73.735 80.690 -2.549 1.00 0.00 WT4 O ATOM 48629 H1 TIP3 1873 73.946 80.118 -3.286 1.00 0.00 WT4 H ATOM 48630 H2 TIP3 1873 74.125 80.257 -1.790 1.00 0.00 WT4 H ATOM 48631 OH2 TIP3 1875 40.965 76.240 55.975 1.00 0.00 WT4 O ATOM 48632 H1 TIP3 1875 41.351 76.399 55.114 1.00 0.00 WT4 H ATOM 48633 H2 TIP3 1875 40.348 76.961 56.098 1.00 0.00 WT4 H ATOM 48634 OH2 TIP3 1881 74.249 50.153 53.758 1.00 0.00 WT4 O ATOM 48635 H1 TIP3 1881 74.126 51.072 53.998 1.00 0.00 WT4 H ATOM 48636 H2 TIP3 1881 75.199 50.038 53.728 1.00 0.00 WT4 H ATOM 48637 OH2 TIP3 1885 27.176 69.209 8.864 1.00 0.00 WT4 O ATOM 48638 H1 TIP3 1885 27.865 69.511 9.457 1.00 0.00 WT4 H ATOM 48639 H2 TIP3 1885 26.410 69.092 9.426 1.00 0.00 WT4 H ATOM 48640 OH2 TIP3 1891 39.951 81.888 -3.936 1.00 0.00 WT4 O ATOM 48641 H1 TIP3 1891 40.108 82.832 -3.918 1.00 0.00 WT4 H ATOM 48642 H2 TIP3 1891 39.250 81.749 -3.300 1.00 0.00 WT4 H ATOM 48643 OH2 TIP3 1894 45.612 81.526 -1.314 1.00 0.00 WT4 O ATOM 48644 H1 TIP3 1894 46.246 80.980 -1.778 1.00 0.00 WT4 H ATOM 48645 H2 TIP3 1894 44.808 81.451 -1.828 1.00 0.00 WT4 H ATOM 48646 OH2 TIP3 1895 23.165 74.736 51.306 1.00 0.00 WT4 O ATOM 48647 H1 TIP3 1895 22.470 75.371 51.481 1.00 0.00 WT4 H ATOM 48648 H2 TIP3 1895 23.202 74.679 50.351 1.00 0.00 WT4 H ATOM 48649 OH2 TIP3 1896 73.290 11.019 58.329 1.00 0.00 WT4 O ATOM 48650 H1 TIP3 1896 72.499 10.531 58.099 1.00 0.00 WT4 H ATOM 48651 H2 TIP3 1896 73.955 10.700 57.718 1.00 0.00 WT4 H ATOM 48652 OH2 TIP3 1897 88.419 91.629 49.811 1.00 0.00 WT4 O ATOM 48653 H1 TIP3 1897 88.669 90.764 49.485 1.00 0.00 WT4 H ATOM 48654 H2 TIP3 1897 88.990 91.776 50.565 1.00 0.00 WT4 H ATOM 48655 OH2 TIP3 1911 88.804 81.828 13.239 1.00 0.00 WT4 O ATOM 48656 H1 TIP3 1911 88.249 81.092 13.497 1.00 0.00 WT4 H ATOM 48657 H2 TIP3 1911 88.210 82.433 12.794 1.00 0.00 WT4 H ATOM 48658 OH2 TIP3 1912 65.862 12.340 -18.862 1.00 0.00 WT4 O ATOM 48659 H1 TIP3 1912 65.134 12.699 -19.368 1.00 0.00 WT4 H ATOM 48660 H2 TIP3 1912 66.007 12.977 -18.162 1.00 0.00 WT4 H ATOM 48661 OH2 TIP3 1914 70.426 64.119 49.769 1.00 0.00 WT4 O ATOM 48662 H1 TIP3 1914 70.418 63.193 49.527 1.00 0.00 WT4 H ATOM 48663 H2 TIP3 1914 70.089 64.572 48.996 1.00 0.00 WT4 H ATOM 48664 OH2 TIP3 1915 50.813 2.284 54.868 1.00 0.00 WT4 O ATOM 48665 H1 TIP3 1915 51.431 2.581 55.536 1.00 0.00 WT4 H ATOM 48666 H2 TIP3 1915 50.730 3.027 54.270 1.00 0.00 WT4 H ATOM 48667 OH2 TIP3 1917 78.029 92.822 9.742 1.00 0.00 WT4 O ATOM 48668 H1 TIP3 1917 78.658 92.733 9.027 1.00 0.00 WT4 H ATOM 48669 H2 TIP3 1917 78.431 92.355 10.475 1.00 0.00 WT4 H ATOM 48670 OH2 TIP3 1919 66.879 57.542 53.482 1.00 0.00 WT4 O ATOM 48671 H1 TIP3 1919 66.603 57.743 52.588 1.00 0.00 WT4 H ATOM 48672 H2 TIP3 1919 66.272 56.862 53.773 1.00 0.00 WT4 H ATOM 48673 OH2 TIP3 1931 70.387 24.815 22.588 1.00 0.00 WT4 O ATOM 48674 H1 TIP3 1931 71.327 24.736 22.428 1.00 0.00 WT4 H ATOM 48675 H2 TIP3 1931 69.984 24.244 21.933 1.00 0.00 WT4 H ATOM 48676 OH2 TIP3 1935 63.586 16.152 -0.194 1.00 0.00 WT4 O ATOM 48677 H1 TIP3 1935 63.471 15.563 0.552 1.00 0.00 WT4 H ATOM 48678 H2 TIP3 1935 64.470 15.966 -0.512 1.00 0.00 WT4 H ATOM 48679 OH2 TIP3 1936 82.916 65.363 10.027 1.00 0.00 WT4 O ATOM 48680 H1 TIP3 1936 82.449 64.529 9.969 1.00 0.00 WT4 H ATOM 48681 H2 TIP3 1936 83.832 65.137 9.861 1.00 0.00 WT4 H ATOM 48682 OH2 TIP3 1937 58.891 13.703 -14.774 1.00 0.00 WT4 O ATOM 48683 H1 TIP3 1937 58.926 12.798 -14.463 1.00 0.00 WT4 H ATOM 48684 H2 TIP3 1937 59.335 14.208 -14.092 1.00 0.00 WT4 H ATOM 48685 OH2 TIP3 1938 60.918 9.118 23.192 1.00 0.00 WT4 O ATOM 48686 H1 TIP3 1938 61.853 9.166 23.392 1.00 0.00 WT4 H ATOM 48687 H2 TIP3 1938 60.781 9.789 22.524 1.00 0.00 WT4 H ATOM 48688 OH2 TIP3 1950 24.150 57.344 -7.915 1.00 0.00 WT4 O ATOM 48689 H1 TIP3 1950 23.922 57.972 -7.230 1.00 0.00 WT4 H ATOM 48690 H2 TIP3 1950 25.107 57.360 -7.946 1.00 0.00 WT4 H ATOM 48691 OH2 TIP3 1952 79.872 67.140 45.516 1.00 0.00 WT4 O ATOM 48692 H1 TIP3 1952 79.520 67.756 44.874 1.00 0.00 WT4 H ATOM 48693 H2 TIP3 1952 80.506 66.618 45.025 1.00 0.00 WT4 H ATOM 48694 OH2 TIP3 1954 21.371 7.124 2.321 1.00 0.00 WT4 O ATOM 48695 H1 TIP3 1954 21.787 7.926 2.005 1.00 0.00 WT4 H ATOM 48696 H2 TIP3 1954 21.168 7.304 3.239 1.00 0.00 WT4 H ATOM 48697 OH2 TIP3 1955 78.768 76.278 18.044 1.00 0.00 WT4 O ATOM 48698 H1 TIP3 1955 79.331 75.599 17.672 1.00 0.00 WT4 H ATOM 48699 H2 TIP3 1955 77.905 75.868 18.103 1.00 0.00 WT4 H ATOM 48700 OH2 TIP3 1977 54.293 74.041 56.925 1.00 0.00 WT4 O ATOM 48701 H1 TIP3 1977 53.757 74.690 57.381 1.00 0.00 WT4 H ATOM 48702 H2 TIP3 1977 53.740 73.260 56.882 1.00 0.00 WT4 H ATOM 48703 OH2 TIP3 1983 77.926 43.603 57.764 1.00 0.00 WT4 O ATOM 48704 H1 TIP3 1983 77.298 44.239 57.422 1.00 0.00 WT4 H ATOM 48705 H2 TIP3 1983 78.670 44.133 58.053 1.00 0.00 WT4 H ATOM 48706 OH2 TIP3 1993 89.279 92.950 21.482 1.00 0.00 WT4 O ATOM 48707 H1 TIP3 1993 89.685 92.166 21.113 1.00 0.00 WT4 H ATOM 48708 H2 TIP3 1993 89.972 93.610 21.465 1.00 0.00 WT4 H ATOM 48709 OH2 TIP3 2002 57.501 82.878 -14.861 1.00 0.00 WT4 O ATOM 48710 H1 TIP3 2002 57.671 83.646 -15.407 1.00 0.00 WT4 H ATOM 48711 H2 TIP3 2002 56.674 83.074 -14.421 1.00 0.00 WT4 H ATOM 48712 OH2 TIP3 2021 40.333 51.989 -15.216 1.00 0.00 WT4 O ATOM 48713 H1 TIP3 2021 40.529 51.647 -16.088 1.00 0.00 WT4 H ATOM 48714 H2 TIP3 2021 40.944 52.716 -15.099 1.00 0.00 WT4 H ATOM 48715 OH2 TIP3 2105 61.263 95.400 28.121 1.00 0.00 WT4 O ATOM 48716 H1 TIP3 2105 61.444 96.340 28.123 1.00 0.00 WT4 H ATOM 48717 H2 TIP3 2105 60.640 95.277 27.405 1.00 0.00 WT4 H ATOM 48718 OH2 TIP3 2123 84.405 70.374 41.723 1.00 0.00 WT4 O ATOM 48719 H1 TIP3 2123 83.908 69.845 41.099 1.00 0.00 WT4 H ATOM 48720 H2 TIP3 2123 85.290 70.010 41.695 1.00 0.00 WT4 H ATOM 48721 OH2 TIP3 2163 73.785 76.523 8.350 1.00 0.00 WT4 O ATOM 48722 H1 TIP3 2163 72.961 76.650 8.820 1.00 0.00 WT4 H ATOM 48723 H2 TIP3 2163 74.399 76.222 9.020 1.00 0.00 WT4 H ATOM 48724 OH2 TIP3 2165 40.009 32.438 57.551 1.00 0.00 WT4 O ATOM 48725 H1 TIP3 2165 39.120 32.299 57.878 1.00 0.00 WT4 H ATOM 48726 H2 TIP3 2165 39.916 32.445 56.598 1.00 0.00 WT4 H ATOM 48727 OH2 TIP3 2167 71.347 11.881 49.510 1.00 0.00 WT4 O ATOM 48728 H1 TIP3 2167 71.524 12.465 48.772 1.00 0.00 WT4 H ATOM 48729 H2 TIP3 2167 70.392 11.832 49.554 1.00 0.00 WT4 H ATOM 48730 OH2 TIP3 2185 84.075 1.298 62.108 1.00 0.00 WT4 O ATOM 48731 H1 TIP3 2185 84.291 1.801 62.893 1.00 0.00 WT4 H ATOM 48732 H2 TIP3 2185 84.466 0.437 62.260 1.00 0.00 WT4 H ATOM 48733 OH2 TIP3 2186 40.213 51.654 59.362 1.00 0.00 WT4 O ATOM 48734 H1 TIP3 2186 39.302 51.548 59.088 1.00 0.00 WT4 H ATOM 48735 H2 TIP3 2186 40.580 52.282 58.740 1.00 0.00 WT4 H ATOM 48736 OH2 TIP3 2187 84.202 88.957 2.981 1.00 0.00 WT4 O ATOM 48737 H1 TIP3 2187 83.538 88.324 3.257 1.00 0.00 WT4 H ATOM 48738 H2 TIP3 2187 84.901 88.867 3.628 1.00 0.00 WT4 H ATOM 48739 OH2 TIP3 2208 73.874 87.933 33.101 1.00 0.00 WT4 O ATOM 48740 H1 TIP3 2208 74.449 87.177 32.980 1.00 0.00 WT4 H ATOM 48741 H2 TIP3 2208 73.012 87.553 33.273 1.00 0.00 WT4 H ATOM 48742 OH2 TIP3 2227 37.122 52.695 42.941 1.00 0.00 WT4 O ATOM 48743 H1 TIP3 2227 36.739 52.952 42.103 1.00 0.00 WT4 H ATOM 48744 H2 TIP3 2227 37.991 53.097 42.941 1.00 0.00 WT4 H ATOM 48745 OH2 TIP3 2229 68.759 70.154 56.310 1.00 0.00 WT4 O ATOM 48746 H1 TIP3 2229 69.155 70.975 56.601 1.00 0.00 WT4 H ATOM 48747 H2 TIP3 2229 67.816 70.308 56.369 1.00 0.00 WT4 H ATOM 48748 OH2 TIP3 2231 88.956 50.642 16.936 1.00 0.00 WT4 O ATOM 48749 H1 TIP3 2231 88.051 50.806 17.201 1.00 0.00 WT4 H ATOM 48750 H2 TIP3 2231 88.973 49.715 16.700 1.00 0.00 WT4 H ATOM 48751 OH2 TIP3 2232 80.261 86.532 -16.220 1.00 0.00 WT4 O ATOM 48752 H1 TIP3 2232 80.598 86.649 -17.108 1.00 0.00 WT4 H ATOM 48753 H2 TIP3 2232 80.585 85.671 -15.953 1.00 0.00 WT4 H ATOM 48754 OH2 TIP3 2251 39.351 24.737 26.716 1.00 0.00 WT4 O ATOM 48755 H1 TIP3 2251 39.324 24.765 25.760 1.00 0.00 WT4 H ATOM 48756 H2 TIP3 2251 40.140 25.227 26.948 1.00 0.00 WT4 H ATOM 48757 OH2 TIP3 2253 39.576 79.186 28.709 1.00 0.00 WT4 O ATOM 48758 H1 TIP3 2253 39.970 78.335 28.900 1.00 0.00 WT4 H ATOM 48759 H2 TIP3 2253 39.027 79.373 29.470 1.00 0.00 WT4 H ATOM 48760 OH2 TIP3 2254 80.879 62.114 43.652 1.00 0.00 WT4 O ATOM 48761 H1 TIP3 2254 81.006 62.265 42.716 1.00 0.00 WT4 H ATOM 48762 H2 TIP3 2254 79.991 61.762 43.720 1.00 0.00 WT4 H ATOM 48763 OH2 TIP3 2269 69.987 91.053 -8.919 1.00 0.00 WT4 O ATOM 48764 H1 TIP3 2269 69.722 91.184 -9.830 1.00 0.00 WT4 H ATOM 48765 H2 TIP3 2269 69.171 90.861 -8.457 1.00 0.00 WT4 H ATOM 48766 OH2 TIP3 2270 84.924 52.037 50.556 1.00 0.00 WT4 O ATOM 48767 H1 TIP3 2270 84.268 51.439 50.197 1.00 0.00 WT4 H ATOM 48768 H2 TIP3 2270 85.284 51.573 51.312 1.00 0.00 WT4 H ATOM 48769 OH2 TIP3 2271 64.670 61.766 65.768 1.00 0.00 WT4 O ATOM 48770 H1 TIP3 2271 64.397 62.239 64.982 1.00 0.00 WT4 H ATOM 48771 H2 TIP3 2271 63.917 61.824 66.356 1.00 0.00 WT4 H ATOM 48772 OH2 TIP3 2272 26.373 46.466 -5.093 1.00 0.00 WT4 O ATOM 48773 H1 TIP3 2272 25.897 46.375 -4.267 1.00 0.00 WT4 H ATOM 48774 H2 TIP3 2272 25.809 47.019 -5.634 1.00 0.00 WT4 H ATOM 48775 OH2 TIP3 2273 69.139 74.241 -13.982 1.00 0.00 WT4 O ATOM 48776 H1 TIP3 2273 69.669 73.453 -14.098 1.00 0.00 WT4 H ATOM 48777 H2 TIP3 2273 68.256 73.977 -14.241 1.00 0.00 WT4 H ATOM 48778 OH2 TIP3 2274 28.934 49.072 43.344 1.00 0.00 WT4 O ATOM 48779 H1 TIP3 2274 28.577 48.191 43.457 1.00 0.00 WT4 H ATOM 48780 H2 TIP3 2274 29.812 48.932 42.991 1.00 0.00 WT4 H ATOM 48781 OH2 TIP3 2275 49.214 94.802 9.535 1.00 0.00 WT4 O ATOM 48782 H1 TIP3 2275 49.593 95.665 9.701 1.00 0.00 WT4 H ATOM 48783 H2 TIP3 2275 48.276 94.919 9.683 1.00 0.00 WT4 H ATOM 48784 OH2 TIP3 2277 21.779 81.833 2.292 1.00 0.00 WT4 O ATOM 48785 H1 TIP3 2277 21.886 81.770 1.343 1.00 0.00 WT4 H ATOM 48786 H2 TIP3 2277 21.909 80.938 2.607 1.00 0.00 WT4 H ATOM 48787 OH2 TIP3 2280 49.112 79.800 50.356 1.00 0.00 WT4 O ATOM 48788 H1 TIP3 2280 48.576 79.189 49.851 1.00 0.00 WT4 H ATOM 48789 H2 TIP3 2280 49.746 80.141 49.725 1.00 0.00 WT4 H ATOM 48790 OH2 TIP3 2288 62.447 92.683 36.550 1.00 0.00 WT4 O ATOM 48791 H1 TIP3 2288 62.069 91.804 36.523 1.00 0.00 WT4 H ATOM 48792 H2 TIP3 2288 61.797 93.209 37.016 1.00 0.00 WT4 H ATOM 48793 OH2 TIP3 2292 85.390 74.312 27.183 1.00 0.00 WT4 O ATOM 48794 H1 TIP3 2292 84.683 74.556 26.585 1.00 0.00 WT4 H ATOM 48795 H2 TIP3 2292 85.529 73.379 27.021 1.00 0.00 WT4 H ATOM 48796 OH2 TIP3 2293 38.871 6.217 9.210 1.00 0.00 WT4 O ATOM 48797 H1 TIP3 2293 38.698 5.287 9.063 1.00 0.00 WT4 H ATOM 48798 H2 TIP3 2293 39.751 6.241 9.585 1.00 0.00 WT4 H ATOM 48799 OH2 TIP3 2294 53.399 28.827 67.016 1.00 0.00 WT4 O ATOM 48800 H1 TIP3 2294 54.282 28.591 66.731 1.00 0.00 WT4 H ATOM 48801 H2 TIP3 2294 52.998 29.229 66.245 1.00 0.00 WT4 H ATOM 48802 OH2 TIP3 2296 56.326 76.949 32.967 1.00 0.00 WT4 O ATOM 48803 H1 TIP3 2296 55.445 76.986 32.596 1.00 0.00 WT4 H ATOM 48804 H2 TIP3 2296 56.727 76.182 32.558 1.00 0.00 WT4 H ATOM 48805 OH2 TIP3 2309 40.782 57.985 54.552 1.00 0.00 WT4 O ATOM 48806 H1 TIP3 2309 40.814 58.928 54.711 1.00 0.00 WT4 H ATOM 48807 H2 TIP3 2309 40.071 57.872 53.921 1.00 0.00 WT4 H ATOM 48808 OH2 TIP3 2311 60.434 2.507 -8.412 1.00 0.00 WT4 O ATOM 48809 H1 TIP3 2311 61.057 2.041 -7.855 1.00 0.00 WT4 H ATOM 48810 H2 TIP3 2311 59.588 2.385 -7.980 1.00 0.00 WT4 H ATOM 48811 OH2 TIP3 2312 29.858 39.152 -13.346 1.00 0.00 WT4 O ATOM 48812 H1 TIP3 2312 29.695 38.864 -14.244 1.00 0.00 WT4 H ATOM 48813 H2 TIP3 2312 30.747 39.509 -13.366 1.00 0.00 WT4 H ATOM 48814 OH2 TIP3 2313 33.771 95.300 48.725 1.00 0.00 WT4 O ATOM 48815 H1 TIP3 2313 34.689 95.239 48.460 1.00 0.00 WT4 H ATOM 48816 H2 TIP3 2313 33.720 96.113 49.228 1.00 0.00 WT4 H ATOM 48817 OH2 TIP3 2314 60.446 0.479 41.300 1.00 0.00 WT4 O ATOM 48818 H1 TIP3 2314 59.765 1.089 41.016 1.00 0.00 WT4 H ATOM 48819 H2 TIP3 2314 61.252 0.821 40.914 1.00 0.00 WT4 H ATOM 48820 OH2 TIP3 2315 78.038 27.078 31.909 1.00 0.00 WT4 O ATOM 48821 H1 TIP3 2315 78.285 27.849 31.399 1.00 0.00 WT4 H ATOM 48822 H2 TIP3 2315 77.799 27.425 32.769 1.00 0.00 WT4 H ATOM 48823 OH2 TIP3 2316 56.127 35.507 52.662 1.00 0.00 WT4 O ATOM 48824 H1 TIP3 2316 55.455 35.903 52.107 1.00 0.00 WT4 H ATOM 48825 H2 TIP3 2316 56.951 35.870 52.338 1.00 0.00 WT4 H ATOM 48826 OH2 TIP3 2317 80.328 55.149 53.439 1.00 0.00 WT4 O ATOM 48827 H1 TIP3 2317 80.052 54.547 54.129 1.00 0.00 WT4 H ATOM 48828 H2 TIP3 2317 79.580 55.191 52.843 1.00 0.00 WT4 H ATOM 48829 OH2 TIP3 2318 74.711 52.864 31.743 1.00 0.00 WT4 O ATOM 48830 H1 TIP3 2318 74.611 53.064 30.812 1.00 0.00 WT4 H ATOM 48831 H2 TIP3 2318 74.383 53.642 32.193 1.00 0.00 WT4 H ATOM 48832 OH2 TIP3 2319 88.423 2.202 -18.577 1.00 0.00 WT4 O ATOM 48833 H1 TIP3 2319 87.799 2.915 -18.709 1.00 0.00 WT4 H ATOM 48834 H2 TIP3 2319 88.264 1.605 -19.308 1.00 0.00 WT4 H ATOM 48835 OH2 TIP3 2329 47.299 41.752 10.652 1.00 0.00 WT4 O ATOM 48836 H1 TIP3 2329 47.264 40.906 10.205 1.00 0.00 WT4 H ATOM 48837 H2 TIP3 2329 46.945 41.577 11.524 1.00 0.00 WT4 H ATOM 48838 OH2 TIP3 2331 75.025 96.235 20.734 1.00 0.00 WT4 O ATOM 48839 H1 TIP3 2331 74.334 96.586 20.172 1.00 0.00 WT4 H ATOM 48840 H2 TIP3 2331 74.703 96.373 21.625 1.00 0.00 WT4 H ATOM 48841 OH2 TIP3 2332 59.945 20.826 19.595 1.00 0.00 WT4 O ATOM 48842 H1 TIP3 2332 59.385 20.156 19.988 1.00 0.00 WT4 H ATOM 48843 H2 TIP3 2332 59.341 21.390 19.112 1.00 0.00 WT4 H ATOM 48844 OH2 TIP3 2333 59.183 22.180 36.092 1.00 0.00 WT4 O ATOM 48845 H1 TIP3 2333 58.457 22.067 35.479 1.00 0.00 WT4 H ATOM 48846 H2 TIP3 2333 59.961 22.237 35.536 1.00 0.00 WT4 H ATOM 48847 OH2 TIP3 2335 68.466 64.549 2.429 1.00 0.00 WT4 O ATOM 48848 H1 TIP3 2335 68.594 65.394 2.861 1.00 0.00 WT4 H ATOM 48849 H2 TIP3 2335 67.518 64.481 2.313 1.00 0.00 WT4 H ATOM 48850 OH2 TIP3 2339 78.914 6.152 62.124 1.00 0.00 WT4 O ATOM 48851 H1 TIP3 2339 78.400 5.511 61.633 1.00 0.00 WT4 H ATOM 48852 H2 TIP3 2339 79.318 5.646 62.829 1.00 0.00 WT4 H ATOM 48853 OH2 TIP3 2351 85.048 63.456 -4.918 1.00 0.00 WT4 O ATOM 48854 H1 TIP3 2351 84.619 64.240 -5.262 1.00 0.00 WT4 H ATOM 48855 H2 TIP3 2351 85.278 62.947 -5.695 1.00 0.00 WT4 H ATOM 48856 OH2 TIP3 2352 59.976 80.140 49.950 1.00 0.00 WT4 O ATOM 48857 H1 TIP3 2352 59.253 80.767 49.961 1.00 0.00 WT4 H ATOM 48858 H2 TIP3 2352 60.348 80.218 49.071 1.00 0.00 WT4 H ATOM 48859 OH2 TIP3 2355 57.884 65.597 40.397 1.00 0.00 WT4 O ATOM 48860 H1 TIP3 2355 56.981 65.304 40.274 1.00 0.00 WT4 H ATOM 48861 H2 TIP3 2355 58.345 65.288 39.617 1.00 0.00 WT4 H ATOM 48862 OH2 TIP3 2357 46.620 42.300 -9.642 1.00 0.00 WT4 O ATOM 48863 H1 TIP3 2357 47.425 42.818 -9.627 1.00 0.00 WT4 H ATOM 48864 H2 TIP3 2357 46.869 41.457 -9.264 1.00 0.00 WT4 H ATOM 48865 OH2 TIP3 2358 39.710 93.439 0.683 1.00 0.00 WT4 O ATOM 48866 H1 TIP3 2358 40.019 92.624 0.288 1.00 0.00 WT4 H ATOM 48867 H2 TIP3 2358 38.842 93.226 1.026 1.00 0.00 WT4 H ATOM 48868 OH2 TIP3 2359 43.659 40.708 33.356 1.00 0.00 WT4 O ATOM 48869 H1 TIP3 2359 44.333 40.032 33.437 1.00 0.00 WT4 H ATOM 48870 H2 TIP3 2359 43.508 40.784 32.414 1.00 0.00 WT4 H ATOM 48871 OH2 TIP3 2376 90.341 20.033 -17.893 1.00 0.00 WT4 O ATOM 48872 H1 TIP3 2376 90.108 19.659 -18.743 1.00 0.00 WT4 H ATOM 48873 H2 TIP3 2376 89.583 19.853 -17.337 1.00 0.00 WT4 H ATOM 48874 OH2 TIP3 2377 60.820 3.064 25.019 1.00 0.00 WT4 O ATOM 48875 H1 TIP3 2377 61.687 3.333 24.715 1.00 0.00 WT4 H ATOM 48876 H2 TIP3 2377 60.978 2.669 25.877 1.00 0.00 WT4 H ATOM 48877 OH2 TIP3 2378 88.150 31.904 59.281 1.00 0.00 WT4 O ATOM 48878 H1 TIP3 2378 89.089 32.092 59.277 1.00 0.00 WT4 H ATOM 48879 H2 TIP3 2378 87.757 32.654 59.727 1.00 0.00 WT4 H ATOM 48880 OH2 TIP3 2380 66.718 78.552 45.527 1.00 0.00 WT4 O ATOM 48881 H1 TIP3 2380 66.964 78.243 46.400 1.00 0.00 WT4 H ATOM 48882 H2 TIP3 2380 67.549 78.783 45.111 1.00 0.00 WT4 H ATOM 48883 OH2 TIP3 2397 58.037 5.002 48.395 1.00 0.00 WT4 O ATOM 48884 H1 TIP3 2397 57.493 5.267 47.653 1.00 0.00 WT4 H ATOM 48885 H2 TIP3 2397 58.181 4.065 48.265 1.00 0.00 WT4 H ATOM 48886 OH2 TIP3 2398 64.005 3.225 -6.464 1.00 0.00 WT4 O ATOM 48887 H1 TIP3 2398 64.852 2.865 -6.202 1.00 0.00 WT4 H ATOM 48888 H2 TIP3 2398 63.402 2.484 -6.407 1.00 0.00 WT4 H ATOM 48889 OH2 TIP3 2418 64.357 20.186 -4.979 1.00 0.00 WT4 O ATOM 48890 H1 TIP3 2418 64.741 21.063 -5.003 1.00 0.00 WT4 H ATOM 48891 H2 TIP3 2418 64.672 19.808 -4.158 1.00 0.00 WT4 H ATOM 48892 OH2 TIP3 2436 75.251 6.144 2.580 1.00 0.00 WT4 O ATOM 48893 H1 TIP3 2436 75.163 6.424 3.491 1.00 0.00 WT4 H ATOM 48894 H2 TIP3 2436 75.680 6.880 2.144 1.00 0.00 WT4 H ATOM 48895 OH2 TIP3 2477 60.337 73.967 66.180 1.00 0.00 WT4 O ATOM 48896 H1 TIP3 2477 60.067 73.897 65.264 1.00 0.00 WT4 H ATOM 48897 H2 TIP3 2477 59.631 73.546 66.671 1.00 0.00 WT4 H ATOM 48898 OH2 TIP3 2508 36.222 59.691 16.491 1.00 0.00 WT4 O ATOM 48899 H1 TIP3 2508 36.489 58.856 16.875 1.00 0.00 WT4 H ATOM 48900 H2 TIP3 2508 36.935 60.293 16.707 1.00 0.00 WT4 H ATOM 48901 OH2 TIP3 2606 78.761 56.119 -6.360 1.00 0.00 WT4 O ATOM 48902 H1 TIP3 2606 79.327 55.449 -6.743 1.00 0.00 WT4 H ATOM 48903 H2 TIP3 2606 78.968 56.916 -6.849 1.00 0.00 WT4 H ATOM 48904 OH2 TIP3 2607 81.782 60.796 47.716 1.00 0.00 WT4 O ATOM 48905 H1 TIP3 2607 82.195 61.614 47.438 1.00 0.00 WT4 H ATOM 48906 H2 TIP3 2607 80.892 60.846 47.369 1.00 0.00 WT4 H ATOM 48907 OH2 TIP3 2608 24.652 60.204 44.603 1.00 0.00 WT4 O ATOM 48908 H1 TIP3 2608 25.113 60.782 45.211 1.00 0.00 WT4 H ATOM 48909 H2 TIP3 2608 24.867 59.321 44.902 1.00 0.00 WT4 H ATOM 48910 OH2 TIP3 2610 41.309 50.587 38.717 1.00 0.00 WT4 O ATOM 48911 H1 TIP3 2610 41.655 51.395 38.338 1.00 0.00 WT4 H ATOM 48912 H2 TIP3 2610 40.358 50.685 38.664 1.00 0.00 WT4 H ATOM 48913 OH2 TIP3 2624 42.950 4.063 61.932 1.00 0.00 WT4 O ATOM 48914 H1 TIP3 2624 43.618 3.385 61.828 1.00 0.00 WT4 H ATOM 48915 H2 TIP3 2624 42.191 3.600 62.285 1.00 0.00 WT4 H ATOM 48916 OH2 TIP3 2628 45.159 80.157 -4.078 1.00 0.00 WT4 O ATOM 48917 H1 TIP3 2628 45.730 80.790 -4.514 1.00 0.00 WT4 H ATOM 48918 H2 TIP3 2628 45.760 79.574 -3.612 1.00 0.00 WT4 H ATOM 48919 OH2 TIP3 2630 32.870 44.381 29.761 1.00 0.00 WT4 O ATOM 48920 H1 TIP3 2630 33.530 43.867 29.297 1.00 0.00 WT4 H ATOM 48921 H2 TIP3 2630 32.829 45.208 29.281 1.00 0.00 WT4 H ATOM 48922 OH2 TIP3 2632 31.431 31.427 -16.876 1.00 0.00 WT4 O ATOM 48923 H1 TIP3 2632 32.238 31.172 -17.321 1.00 0.00 WT4 H ATOM 48924 H2 TIP3 2632 31.723 31.947 -16.127 1.00 0.00 WT4 H ATOM 48925 OH2 TIP3 2634 41.240 67.559 36.500 1.00 0.00 WT4 O ATOM 48926 H1 TIP3 2634 41.808 68.006 35.873 1.00 0.00 WT4 H ATOM 48927 H2 TIP3 2634 41.788 66.867 36.869 1.00 0.00 WT4 H ATOM 48928 OH2 TIP3 2635 74.469 21.485 57.975 1.00 0.00 WT4 O ATOM 48929 H1 TIP3 2635 75.269 20.961 57.924 1.00 0.00 WT4 H ATOM 48930 H2 TIP3 2635 74.779 22.385 58.073 1.00 0.00 WT4 H ATOM 48931 OH2 TIP3 2649 27.919 74.419 -4.517 1.00 0.00 WT4 O ATOM 48932 H1 TIP3 2649 28.180 73.835 -3.805 1.00 0.00 WT4 H ATOM 48933 H2 TIP3 2649 28.548 74.242 -5.216 1.00 0.00 WT4 H ATOM 48934 OH2 TIP3 2650 49.406 13.997 47.922 1.00 0.00 WT4 O ATOM 48935 H1 TIP3 2650 49.402 14.697 47.269 1.00 0.00 WT4 H ATOM 48936 H2 TIP3 2650 48.614 13.492 47.737 1.00 0.00 WT4 H ATOM 48937 OH2 TIP3 2652 31.460 19.925 -11.175 1.00 0.00 WT4 O ATOM 48938 H1 TIP3 2652 31.130 20.656 -10.653 1.00 0.00 WT4 H ATOM 48939 H2 TIP3 2652 30.797 19.242 -11.078 1.00 0.00 WT4 H ATOM 48940 OH2 TIP3 2654 39.736 60.575 54.636 1.00 0.00 WT4 O ATOM 48941 H1 TIP3 2654 39.776 61.506 54.853 1.00 0.00 WT4 H ATOM 48942 H2 TIP3 2654 38.812 60.411 54.448 1.00 0.00 WT4 H ATOM 48943 OH2 TIP3 2667 72.465 46.762 -6.069 1.00 0.00 WT4 O ATOM 48944 H1 TIP3 2667 71.735 46.225 -5.759 1.00 0.00 WT4 H ATOM 48945 H2 TIP3 2667 73.171 46.589 -5.446 1.00 0.00 WT4 H ATOM 48946 OH2 TIP3 2669 23.614 0.471 -15.430 1.00 0.00 WT4 O ATOM 48947 H1 TIP3 2669 24.136 1.034 -14.859 1.00 0.00 WT4 H ATOM 48948 H2 TIP3 2669 24.141 -0.321 -15.534 1.00 0.00 WT4 H ATOM 48949 OH2 TIP3 2670 67.373 80.165 42.435 1.00 0.00 WT4 O ATOM 48950 H1 TIP3 2670 67.877 79.388 42.192 1.00 0.00 WT4 H ATOM 48951 H2 TIP3 2670 66.778 79.860 43.120 1.00 0.00 WT4 H ATOM 48952 OH2 TIP3 2672 34.737 71.486 46.612 1.00 0.00 WT4 O ATOM 48953 H1 TIP3 2672 35.079 70.723 47.077 1.00 0.00 WT4 H ATOM 48954 H2 TIP3 2672 35.498 72.052 46.487 1.00 0.00 WT4 H ATOM 48955 OH2 TIP3 2673 50.759 6.836 27.172 1.00 0.00 WT4 O ATOM 48956 H1 TIP3 2673 50.832 5.999 27.631 1.00 0.00 WT4 H ATOM 48957 H2 TIP3 2673 50.815 7.495 27.864 1.00 0.00 WT4 H ATOM 48958 OH2 TIP3 2674 48.347 67.405 -3.215 1.00 0.00 WT4 O ATOM 48959 H1 TIP3 2674 47.836 66.918 -2.568 1.00 0.00 WT4 H ATOM 48960 H2 TIP3 2674 49.102 67.733 -2.727 1.00 0.00 WT4 H ATOM 48961 OH2 TIP3 2676 37.516 63.376 19.077 1.00 0.00 WT4 O ATOM 48962 H1 TIP3 2676 37.581 62.765 18.343 1.00 0.00 WT4 H ATOM 48963 H2 TIP3 2676 36.617 63.701 19.041 1.00 0.00 WT4 H ATOM 48964 OH2 TIP3 2690 53.818 35.121 1.476 1.00 0.00 WT4 O ATOM 48965 H1 TIP3 2690 54.360 35.078 2.264 1.00 0.00 WT4 H ATOM 48966 H2 TIP3 2690 53.207 34.389 1.565 1.00 0.00 WT4 H ATOM 48967 OH2 TIP3 2691 24.820 86.325 38.185 1.00 0.00 WT4 O ATOM 48968 H1 TIP3 2691 24.125 85.888 37.693 1.00 0.00 WT4 H ATOM 48969 H2 TIP3 2691 25.375 85.612 38.502 1.00 0.00 WT4 H ATOM 48970 OH2 TIP3 2692 88.486 86.949 40.630 1.00 0.00 WT4 O ATOM 48971 H1 TIP3 2692 87.635 86.756 40.237 1.00 0.00 WT4 H ATOM 48972 H2 TIP3 2692 89.081 87.033 39.885 1.00 0.00 WT4 H ATOM 48973 OH2 TIP3 2694 76.818 65.635 13.195 1.00 0.00 WT4 O ATOM 48974 H1 TIP3 2694 76.883 66.585 13.292 1.00 0.00 WT4 H ATOM 48975 H2 TIP3 2694 76.950 65.294 14.080 1.00 0.00 WT4 H ATOM 48976 OH2 TIP3 2695 26.711 25.934 19.905 1.00 0.00 WT4 O ATOM 48977 H1 TIP3 2695 25.933 25.901 20.461 1.00 0.00 WT4 H ATOM 48978 H2 TIP3 2695 27.435 26.081 20.513 1.00 0.00 WT4 H ATOM 48979 OH2 TIP3 2697 55.529 74.871 -11.298 1.00 0.00 WT4 O ATOM 48980 H1 TIP3 2697 55.209 74.364 -12.044 1.00 0.00 WT4 H ATOM 48981 H2 TIP3 2697 55.759 74.214 -10.642 1.00 0.00 WT4 H ATOM 48982 OH2 TIP3 2701 37.555 26.101 62.784 1.00 0.00 WT4 O ATOM 48983 H1 TIP3 2701 37.030 25.681 62.103 1.00 0.00 WT4 H ATOM 48984 H2 TIP3 2701 37.071 25.942 63.594 1.00 0.00 WT4 H ATOM 48985 OH2 TIP3 2709 57.099 88.663 -10.429 1.00 0.00 WT4 O ATOM 48986 H1 TIP3 2709 57.879 89.139 -10.714 1.00 0.00 WT4 H ATOM 48987 H2 TIP3 2709 57.439 87.879 -9.999 1.00 0.00 WT4 H ATOM 48988 OH2 TIP3 2710 63.543 2.329 5.062 1.00 0.00 WT4 O ATOM 48989 H1 TIP3 2710 64.316 1.982 5.507 1.00 0.00 WT4 H ATOM 48990 H2 TIP3 2710 62.915 2.493 5.766 1.00 0.00 WT4 H ATOM 48991 OH2 TIP3 2713 26.949 92.545 25.962 1.00 0.00 WT4 O ATOM 48992 H1 TIP3 2713 26.840 91.721 25.487 1.00 0.00 WT4 H ATOM 48993 H2 TIP3 2713 26.105 92.691 26.389 1.00 0.00 WT4 H ATOM 48994 OH2 TIP3 2714 85.414 57.527 11.224 1.00 0.00 WT4 O ATOM 48995 H1 TIP3 2714 86.300 57.891 11.212 1.00 0.00 WT4 H ATOM 48996 H2 TIP3 2714 85.337 57.055 10.395 1.00 0.00 WT4 H ATOM 48997 OH2 TIP3 2717 21.895 54.062 -9.257 1.00 0.00 WT4 O ATOM 48998 H1 TIP3 2717 21.123 54.615 -9.134 1.00 0.00 WT4 H ATOM 48999 H2 TIP3 2717 21.851 53.426 -8.543 1.00 0.00 WT4 H ATOM 49000 OH2 TIP3 2732 30.509 68.489 56.598 1.00 0.00 WT4 O ATOM 49001 H1 TIP3 2732 31.151 68.700 57.276 1.00 0.00 WT4 H ATOM 49002 H2 TIP3 2732 30.835 68.929 55.813 1.00 0.00 WT4 H ATOM 49003 OH2 TIP3 2734 86.822 80.732 15.398 1.00 0.00 WT4 O ATOM 49004 H1 TIP3 2734 86.365 80.371 16.158 1.00 0.00 WT4 H ATOM 49005 H2 TIP3 2734 86.130 81.129 14.869 1.00 0.00 WT4 H ATOM 49006 OH2 TIP3 2735 25.350 60.291 19.574 1.00 0.00 WT4 O ATOM 49007 H1 TIP3 2735 25.060 61.191 19.427 1.00 0.00 WT4 H ATOM 49008 H2 TIP3 2735 25.005 59.803 18.826 1.00 0.00 WT4 H ATOM 49009 OH2 TIP3 2736 20.242 58.523 11.672 1.00 0.00 WT4 O ATOM 49010 H1 TIP3 2736 20.138 58.011 12.474 1.00 0.00 WT4 H ATOM 49011 H2 TIP3 2736 20.831 59.236 11.916 1.00 0.00 WT4 H ATOM 49012 OH2 TIP3 2753 85.122 82.424 31.056 1.00 0.00 WT4 O ATOM 49013 H1 TIP3 2753 85.493 82.090 31.872 1.00 0.00 WT4 H ATOM 49014 H2 TIP3 2753 85.070 81.658 30.485 1.00 0.00 WT4 H ATOM 49015 OH2 TIP3 2754 21.798 61.049 51.033 1.00 0.00 WT4 O ATOM 49016 H1 TIP3 2754 21.019 60.744 51.499 1.00 0.00 WT4 H ATOM 49017 H2 TIP3 2754 21.454 61.528 50.280 1.00 0.00 WT4 H ATOM 49018 OH2 TIP3 2755 83.813 92.285 12.485 1.00 0.00 WT4 O ATOM 49019 H1 TIP3 2755 83.566 91.405 12.202 1.00 0.00 WT4 H ATOM 49020 H2 TIP3 2755 83.337 92.416 13.305 1.00 0.00 WT4 H ATOM 49021 OH2 TIP3 2757 27.546 12.445 60.676 1.00 0.00 WT4 O ATOM 49022 H1 TIP3 2757 27.821 13.189 61.212 1.00 0.00 WT4 H ATOM 49023 H2 TIP3 2757 26.688 12.699 60.336 1.00 0.00 WT4 H ATOM 49024 OH2 TIP3 2758 28.592 66.140 -18.912 1.00 0.00 WT4 O ATOM 49025 H1 TIP3 2758 27.880 66.463 -18.360 1.00 0.00 WT4 H ATOM 49026 H2 TIP3 2758 28.247 66.196 -19.804 1.00 0.00 WT4 H ATOM 49027 OH2 TIP3 2771 71.376 88.114 40.339 1.00 0.00 WT4 O ATOM 49028 H1 TIP3 2771 71.287 88.652 39.553 1.00 0.00 WT4 H ATOM 49029 H2 TIP3 2771 71.837 87.329 40.042 1.00 0.00 WT4 H ATOM 49030 OH2 TIP3 2773 62.952 85.907 58.184 1.00 0.00 WT4 O ATOM 49031 H1 TIP3 2773 62.147 86.355 58.444 1.00 0.00 WT4 H ATOM 49032 H2 TIP3 2773 63.632 86.577 58.254 1.00 0.00 WT4 H ATOM 49033 OH2 TIP3 2774 58.087 27.238 61.195 1.00 0.00 WT4 O ATOM 49034 H1 TIP3 2774 58.939 27.641 61.360 1.00 0.00 WT4 H ATOM 49035 H2 TIP3 2774 57.455 27.940 61.349 1.00 0.00 WT4 H ATOM 49036 OH2 TIP3 2775 73.155 89.599 28.540 1.00 0.00 WT4 O ATOM 49037 H1 TIP3 2775 73.192 89.612 29.496 1.00 0.00 WT4 H ATOM 49038 H2 TIP3 2775 73.020 88.678 28.318 1.00 0.00 WT4 H ATOM 49039 OH2 TIP3 2776 59.760 10.317 48.645 1.00 0.00 WT4 O ATOM 49040 H1 TIP3 2776 59.660 9.522 49.170 1.00 0.00 WT4 H ATOM 49041 H2 TIP3 2776 59.386 11.011 49.188 1.00 0.00 WT4 H ATOM 49042 OH2 TIP3 2777 89.147 69.278 -5.831 1.00 0.00 WT4 O ATOM 49043 H1 TIP3 2777 88.537 68.759 -6.356 1.00 0.00 WT4 H ATOM 49044 H2 TIP3 2777 89.422 68.688 -5.129 1.00 0.00 WT4 H ATOM 49045 OH2 TIP3 2778 78.032 81.855 61.028 1.00 0.00 WT4 O ATOM 49046 H1 TIP3 2778 78.772 81.461 61.490 1.00 0.00 WT4 H ATOM 49047 H2 TIP3 2778 77.502 81.109 60.745 1.00 0.00 WT4 H ATOM 49048 OH2 TIP3 2793 69.378 69.113 62.118 1.00 0.00 WT4 O ATOM 49049 H1 TIP3 2793 69.647 69.997 62.368 1.00 0.00 WT4 H ATOM 49050 H2 TIP3 2793 68.921 69.228 61.285 1.00 0.00 WT4 H ATOM 49051 OH2 TIP3 2794 90.274 40.720 -18.106 1.00 0.00 WT4 O ATOM 49052 H1 TIP3 2794 90.188 40.087 -17.393 1.00 0.00 WT4 H ATOM 49053 H2 TIP3 2794 89.487 41.262 -18.041 1.00 0.00 WT4 H ATOM 49054 OH2 TIP3 2795 51.910 56.560 -0.890 1.00 0.00 WT4 O ATOM 49055 H1 TIP3 2795 52.374 55.833 -0.475 1.00 0.00 WT4 H ATOM 49056 H2 TIP3 2795 52.045 57.300 -0.298 1.00 0.00 WT4 H ATOM 49057 OH2 TIP3 2797 65.652 5.921 10.200 1.00 0.00 WT4 O ATOM 49058 H1 TIP3 2797 66.465 5.446 10.376 1.00 0.00 WT4 H ATOM 49059 H2 TIP3 2797 65.338 5.561 9.371 1.00 0.00 WT4 H ATOM 49060 OH2 TIP3 2815 39.904 30.793 3.309 1.00 0.00 WT4 O ATOM 49061 H1 TIP3 2815 40.294 31.666 3.287 1.00 0.00 WT4 H ATOM 49062 H2 TIP3 2815 40.595 30.230 3.656 1.00 0.00 WT4 H ATOM 49063 OH2 TIP3 2817 75.706 80.916 11.761 1.00 0.00 WT4 O ATOM 49064 H1 TIP3 2817 76.220 81.699 11.958 1.00 0.00 WT4 H ATOM 49065 H2 TIP3 2817 74.940 81.244 11.290 1.00 0.00 WT4 H ATOM 49066 OH2 TIP3 2818 89.665 24.205 32.233 1.00 0.00 WT4 O ATOM 49067 H1 TIP3 2818 89.234 25.049 32.093 1.00 0.00 WT4 H ATOM 49068 H2 TIP3 2818 90.597 24.390 32.118 1.00 0.00 WT4 H ATOM 49069 OH2 TIP3 2820 61.900 87.156 37.874 1.00 0.00 WT4 O ATOM 49070 H1 TIP3 2820 61.668 86.839 37.000 1.00 0.00 WT4 H ATOM 49071 H2 TIP3 2820 61.523 86.509 38.471 1.00 0.00 WT4 H ATOM 49072 OH2 TIP3 2821 27.035 16.133 62.751 1.00 0.00 WT4 O ATOM 49073 H1 TIP3 2821 27.482 15.388 63.152 1.00 0.00 WT4 H ATOM 49074 H2 TIP3 2821 26.195 16.183 63.208 1.00 0.00 WT4 H ATOM 49075 OH2 TIP3 2832 72.776 70.953 33.739 1.00 0.00 WT4 O ATOM 49076 H1 TIP3 2832 72.459 71.395 32.952 1.00 0.00 WT4 H ATOM 49077 H2 TIP3 2832 72.190 70.204 33.847 1.00 0.00 WT4 H ATOM 49078 OH2 TIP3 2842 87.469 13.274 -3.240 1.00 0.00 WT4 O ATOM 49079 H1 TIP3 2842 87.437 13.514 -2.313 1.00 0.00 WT4 H ATOM 49080 H2 TIP3 2842 87.197 12.356 -3.260 1.00 0.00 WT4 H ATOM 49081 OH2 TIP3 2843 55.196 29.799 -8.672 1.00 0.00 WT4 O ATOM 49082 H1 TIP3 2843 54.613 29.521 -9.378 1.00 0.00 WT4 H ATOM 49083 H2 TIP3 2843 54.779 29.473 -7.874 1.00 0.00 WT4 H ATOM 49084 OH2 TIP3 2857 27.388 49.282 54.004 1.00 0.00 WT4 O ATOM 49085 H1 TIP3 2857 27.054 48.677 53.341 1.00 0.00 WT4 H ATOM 49086 H2 TIP3 2857 27.258 50.150 53.623 1.00 0.00 WT4 H ATOM 49087 OH2 TIP3 2862 66.048 53.657 66.715 1.00 0.00 WT4 O ATOM 49088 H1 TIP3 2862 65.356 53.584 66.057 1.00 0.00 WT4 H ATOM 49089 H2 TIP3 2862 66.270 54.588 66.727 1.00 0.00 WT4 H ATOM 49090 OH2 TIP3 2877 26.782 94.916 61.890 1.00 0.00 WT4 O ATOM 49091 H1 TIP3 2877 26.977 95.487 62.633 1.00 0.00 WT4 H ATOM 49092 H2 TIP3 2877 25.869 95.106 61.674 1.00 0.00 WT4 H ATOM 49093 OH2 TIP3 2878 62.919 89.250 56.376 1.00 0.00 WT4 O ATOM 49094 H1 TIP3 2878 63.119 89.324 55.443 1.00 0.00 WT4 H ATOM 49095 H2 TIP3 2878 63.529 88.586 56.700 1.00 0.00 WT4 H ATOM 49096 OH2 TIP3 2944 32.166 35.690 -17.082 1.00 0.00 WT4 O ATOM 49097 H1 TIP3 2944 31.574 35.216 -16.498 1.00 0.00 WT4 H ATOM 49098 H2 TIP3 2944 32.478 36.429 -16.559 1.00 0.00 WT4 H ATOM 49099 OH2 TIP3 3010 36.120 73.045 66.059 1.00 0.00 WT4 O ATOM 49100 H1 TIP3 3010 35.644 72.878 66.872 1.00 0.00 WT4 H ATOM 49101 H2 TIP3 3010 35.467 72.926 65.370 1.00 0.00 WT4 H ATOM 49102 OH2 TIP3 3012 44.162 70.415 -5.929 1.00 0.00 WT4 O ATOM 49103 H1 TIP3 3012 45.085 70.217 -6.091 1.00 0.00 WT4 H ATOM 49104 H2 TIP3 3012 43.851 69.687 -5.392 1.00 0.00 WT4 H ATOM 49105 OH2 TIP3 3027 72.301 79.656 17.688 1.00 0.00 WT4 O ATOM 49106 H1 TIP3 3027 71.673 80.362 17.536 1.00 0.00 WT4 H ATOM 49107 H2 TIP3 3027 72.602 79.409 16.813 1.00 0.00 WT4 H ATOM 49108 OH2 TIP3 3046 61.398 92.643 54.357 1.00 0.00 WT4 O ATOM 49109 H1 TIP3 3046 61.999 92.911 53.662 1.00 0.00 WT4 H ATOM 49110 H2 TIP3 3046 60.549 92.564 53.922 1.00 0.00 WT4 H ATOM 49111 OH2 TIP3 3049 68.217 87.007 -11.052 1.00 0.00 WT4 O ATOM 49112 H1 TIP3 3049 67.891 87.865 -10.779 1.00 0.00 WT4 H ATOM 49113 H2 TIP3 3049 67.984 86.946 -11.978 1.00 0.00 WT4 H ATOM 49114 OH2 TIP3 3050 52.081 56.750 -19.241 1.00 0.00 WT4 O ATOM 49115 H1 TIP3 3050 52.297 55.860 -19.521 1.00 0.00 WT4 H ATOM 49116 H2 TIP3 3050 51.124 56.770 -19.220 1.00 0.00 WT4 H ATOM 49117 OH2 TIP3 3070 54.318 0.663 53.527 1.00 0.00 WT4 O ATOM 49118 H1 TIP3 3070 54.013 0.036 54.183 1.00 0.00 WT4 H ATOM 49119 H2 TIP3 3070 53.518 1.060 53.183 1.00 0.00 WT4 H ATOM 49120 OH2 TIP3 3072 61.776 4.117 65.997 1.00 0.00 WT4 O ATOM 49121 H1 TIP3 3072 61.797 4.984 66.403 1.00 0.00 WT4 H ATOM 49122 H2 TIP3 3072 62.441 4.156 65.311 1.00 0.00 WT4 H ATOM 49123 OH2 TIP3 3073 47.096 28.419 37.906 1.00 0.00 WT4 O ATOM 49124 H1 TIP3 3073 46.664 27.876 37.248 1.00 0.00 WT4 H ATOM 49125 H2 TIP3 3073 46.409 29.007 38.221 1.00 0.00 WT4 H ATOM 49126 OH2 TIP3 3092 64.398 76.599 48.972 1.00 0.00 WT4 O ATOM 49127 H1 TIP3 3092 63.873 76.732 48.183 1.00 0.00 WT4 H ATOM 49128 H2 TIP3 3092 64.066 75.783 49.346 1.00 0.00 WT4 H ATOM 49129 OH2 TIP3 3095 62.572 91.480 3.220 1.00 0.00 WT4 O ATOM 49130 H1 TIP3 3095 62.591 91.657 2.280 1.00 0.00 WT4 H ATOM 49131 H2 TIP3 3095 61.859 90.852 3.332 1.00 0.00 WT4 H ATOM 49132 OH2 TIP3 3097 26.069 50.412 48.323 1.00 0.00 WT4 O ATOM 49133 H1 TIP3 3097 26.991 50.654 48.240 1.00 0.00 WT4 H ATOM 49134 H2 TIP3 3097 25.619 50.952 47.673 1.00 0.00 WT4 H ATOM 49135 OH2 TIP3 3108 37.481 29.201 14.112 1.00 0.00 WT4 O ATOM 49136 H1 TIP3 3108 36.827 29.244 14.810 1.00 0.00 WT4 H ATOM 49137 H2 TIP3 3108 37.583 30.107 13.823 1.00 0.00 WT4 H ATOM 49138 OH2 TIP3 3109 32.408 54.909 47.477 1.00 0.00 WT4 O ATOM 49139 H1 TIP3 3109 32.352 55.467 48.253 1.00 0.00 WT4 H ATOM 49140 H2 TIP3 3109 33.322 54.975 47.200 1.00 0.00 WT4 H ATOM 49141 OH2 TIP3 3111 26.791 33.281 -17.437 1.00 0.00 WT4 O ATOM 49142 H1 TIP3 3111 26.108 33.890 -17.719 1.00 0.00 WT4 H ATOM 49143 H2 TIP3 3111 27.122 33.653 -16.620 1.00 0.00 WT4 H ATOM 49144 OH2 TIP3 3112 51.154 18.575 61.850 1.00 0.00 WT4 O ATOM 49145 H1 TIP3 3112 51.855 18.048 61.468 1.00 0.00 WT4 H ATOM 49146 H2 TIP3 3112 50.390 17.998 61.849 1.00 0.00 WT4 H ATOM 49147 OH2 TIP3 3114 31.747 16.689 22.363 1.00 0.00 WT4 O ATOM 49148 H1 TIP3 3114 32.349 16.761 21.622 1.00 0.00 WT4 H ATOM 49149 H2 TIP3 3114 30.879 16.822 21.981 1.00 0.00 WT4 H ATOM 49150 OH2 TIP3 3115 45.441 67.465 65.088 1.00 0.00 WT4 O ATOM 49151 H1 TIP3 3115 45.250 67.898 64.256 1.00 0.00 WT4 H ATOM 49152 H2 TIP3 3115 45.972 66.706 64.847 1.00 0.00 WT4 H ATOM 49153 OH2 TIP3 3116 63.346 6.617 51.746 1.00 0.00 WT4 O ATOM 49154 H1 TIP3 3116 64.143 6.232 52.110 1.00 0.00 WT4 H ATOM 49155 H2 TIP3 3116 63.473 7.562 51.838 1.00 0.00 WT4 H ATOM 49156 OH2 TIP3 3133 64.640 47.052 12.552 1.00 0.00 WT4 O ATOM 49157 H1 TIP3 3133 64.567 46.289 13.125 1.00 0.00 WT4 H ATOM 49158 H2 TIP3 3133 63.810 47.517 12.665 1.00 0.00 WT4 H ATOM 49159 OH2 TIP3 3134 46.751 91.597 -19.091 1.00 0.00 WT4 O ATOM 49160 H1 TIP3 3134 47.080 91.054 -19.807 1.00 0.00 WT4 H ATOM 49161 H2 TIP3 3134 45.938 91.973 -19.429 1.00 0.00 WT4 H ATOM 49162 OH2 TIP3 3140 83.574 50.780 54.748 1.00 0.00 WT4 O ATOM 49163 H1 TIP3 3140 82.684 51.121 54.841 1.00 0.00 WT4 H ATOM 49164 H2 TIP3 3140 84.018 51.048 55.552 1.00 0.00 WT4 H ATOM 49165 OH2 TIP3 3150 37.887 85.901 -10.925 1.00 0.00 WT4 O ATOM 49166 H1 TIP3 3150 38.661 86.267 -10.498 1.00 0.00 WT4 H ATOM 49167 H2 TIP3 3150 38.006 84.953 -10.868 1.00 0.00 WT4 H ATOM 49168 OH2 TIP3 3151 43.691 45.024 63.773 1.00 0.00 WT4 O ATOM 49169 H1 TIP3 3151 44.482 44.638 64.148 1.00 0.00 WT4 H ATOM 49170 H2 TIP3 3151 43.297 45.512 64.496 1.00 0.00 WT4 H ATOM 49171 OH2 TIP3 3152 63.685 74.104 36.177 1.00 0.00 WT4 O ATOM 49172 H1 TIP3 3152 63.356 73.263 36.495 1.00 0.00 WT4 H ATOM 49173 H2 TIP3 3152 63.163 74.286 35.396 1.00 0.00 WT4 H ATOM 49174 OH2 TIP3 3154 66.479 81.211 -0.577 1.00 0.00 WT4 O ATOM 49175 H1 TIP3 3154 66.261 80.312 -0.821 1.00 0.00 WT4 H ATOM 49176 H2 TIP3 3154 66.691 81.640 -1.407 1.00 0.00 WT4 H ATOM 49177 OH2 TIP3 3157 59.887 95.117 67.139 1.00 0.00 WT4 O ATOM 49178 H1 TIP3 3157 59.413 95.509 66.406 1.00 0.00 WT4 H ATOM 49179 H2 TIP3 3157 59.214 94.660 67.643 1.00 0.00 WT4 H ATOM 49180 OH2 TIP3 3173 84.652 87.307 29.144 1.00 0.00 WT4 O ATOM 49181 H1 TIP3 3173 85.167 87.789 29.792 1.00 0.00 WT4 H ATOM 49182 H2 TIP3 3173 84.973 86.407 29.204 1.00 0.00 WT4 H ATOM 49183 OH2 TIP3 3174 74.383 61.753 65.926 1.00 0.00 WT4 O ATOM 49184 H1 TIP3 3174 74.593 61.512 66.828 1.00 0.00 WT4 H ATOM 49185 H2 TIP3 3174 74.993 61.243 65.393 1.00 0.00 WT4 H ATOM 49186 OH2 TIP3 3176 65.972 58.754 48.859 1.00 0.00 WT4 O ATOM 49187 H1 TIP3 3176 66.626 59.448 48.938 1.00 0.00 WT4 H ATOM 49188 H2 TIP3 3176 66.246 58.253 48.090 1.00 0.00 WT4 H ATOM 49189 OH2 TIP3 3177 58.268 9.771 -4.616 1.00 0.00 WT4 O ATOM 49190 H1 TIP3 3177 57.969 9.682 -3.711 1.00 0.00 WT4 H ATOM 49191 H2 TIP3 3177 58.077 8.923 -5.017 1.00 0.00 WT4 H ATOM 49192 OH2 TIP3 3179 53.118 95.014 51.634 1.00 0.00 WT4 O ATOM 49193 H1 TIP3 3179 53.623 95.160 50.834 1.00 0.00 WT4 H ATOM 49194 H2 TIP3 3179 53.217 95.825 52.132 1.00 0.00 WT4 H ATOM 49195 OH2 TIP3 3180 84.092 74.378 62.240 1.00 0.00 WT4 O ATOM 49196 H1 TIP3 3180 84.279 73.674 61.619 1.00 0.00 WT4 H ATOM 49197 H2 TIP3 3180 84.201 73.974 63.101 1.00 0.00 WT4 H ATOM 49198 OH2 TIP3 3187 43.558 20.595 57.281 1.00 0.00 WT4 O ATOM 49199 H1 TIP3 3187 44.162 20.448 56.554 1.00 0.00 WT4 H ATOM 49200 H2 TIP3 3187 44.098 20.501 58.066 1.00 0.00 WT4 H ATOM 49201 OH2 TIP3 3192 63.459 57.779 48.424 1.00 0.00 WT4 O ATOM 49202 H1 TIP3 3192 64.095 58.419 48.744 1.00 0.00 WT4 H ATOM 49203 H2 TIP3 3192 63.668 56.975 48.900 1.00 0.00 WT4 H ATOM 49204 OH2 TIP3 3193 33.536 61.325 25.131 1.00 0.00 WT4 O ATOM 49205 H1 TIP3 3193 34.123 60.626 25.420 1.00 0.00 WT4 H ATOM 49206 H2 TIP3 3193 33.619 62.002 25.803 1.00 0.00 WT4 H ATOM 49207 OH2 TIP3 3195 46.141 85.640 29.549 1.00 0.00 WT4 O ATOM 49208 H1 TIP3 3195 45.267 85.301 29.741 1.00 0.00 WT4 H ATOM 49209 H2 TIP3 3195 46.711 84.872 29.588 1.00 0.00 WT4 H ATOM 49210 OH2 TIP3 3196 68.995 5.157 -18.133 1.00 0.00 WT4 O ATOM 49211 H1 TIP3 3196 69.102 4.224 -17.946 1.00 0.00 WT4 H ATOM 49212 H2 TIP3 3196 68.095 5.353 -17.873 1.00 0.00 WT4 H ATOM 49213 OH2 TIP3 3198 67.954 6.684 -13.625 1.00 0.00 WT4 O ATOM 49214 H1 TIP3 3198 67.164 7.165 -13.377 1.00 0.00 WT4 H ATOM 49215 H2 TIP3 3198 67.892 6.596 -14.576 1.00 0.00 WT4 H ATOM 49216 OH2 TIP3 3200 84.073 51.176 29.033 1.00 0.00 WT4 O ATOM 49217 H1 TIP3 3200 83.188 51.328 29.364 1.00 0.00 WT4 H ATOM 49218 H2 TIP3 3200 84.437 52.052 28.909 1.00 0.00 WT4 H ATOM 49219 OH2 TIP3 3202 39.396 73.849 3.568 1.00 0.00 WT4 O ATOM 49220 H1 TIP3 3202 39.757 72.967 3.478 1.00 0.00 WT4 H ATOM 49221 H2 TIP3 3202 39.063 73.881 4.465 1.00 0.00 WT4 H ATOM 49222 OH2 TIP3 3214 83.776 76.234 1.320 1.00 0.00 WT4 O ATOM 49223 H1 TIP3 3214 84.420 75.548 1.148 1.00 0.00 WT4 H ATOM 49224 H2 TIP3 3214 83.944 76.895 0.649 1.00 0.00 WT4 H ATOM 49225 OH2 TIP3 3215 78.116 1.116 11.344 1.00 0.00 WT4 O ATOM 49226 H1 TIP3 3215 78.135 0.160 11.381 1.00 0.00 WT4 H ATOM 49227 H2 TIP3 3215 79.031 1.379 11.442 1.00 0.00 WT4 H ATOM 49228 OH2 TIP3 3218 70.369 33.749 -0.120 1.00 0.00 WT4 O ATOM 49229 H1 TIP3 3218 69.727 34.380 -0.444 1.00 0.00 WT4 H ATOM 49230 H2 TIP3 3218 70.515 33.156 -0.857 1.00 0.00 WT4 H ATOM 49231 OH2 TIP3 3233 51.269 47.121 -12.163 1.00 0.00 WT4 O ATOM 49232 H1 TIP3 3233 50.746 47.885 -12.408 1.00 0.00 WT4 H ATOM 49233 H2 TIP3 3233 52.154 47.331 -12.463 1.00 0.00 WT4 H ATOM 49234 OH2 TIP3 3234 58.365 90.443 45.236 1.00 0.00 WT4 O ATOM 49235 H1 TIP3 3234 58.842 89.672 44.929 1.00 0.00 WT4 H ATOM 49236 H2 TIP3 3234 57.970 90.811 44.446 1.00 0.00 WT4 H ATOM 49237 OH2 TIP3 3236 34.999 11.970 -8.196 1.00 0.00 WT4 O ATOM 49238 H1 TIP3 3236 34.223 12.425 -7.868 1.00 0.00 WT4 H ATOM 49239 H2 TIP3 3236 34.654 11.197 -8.642 1.00 0.00 WT4 H ATOM 49240 OH2 TIP3 3237 38.853 89.345 46.632 1.00 0.00 WT4 O ATOM 49241 H1 TIP3 3237 38.646 90.247 46.385 1.00 0.00 WT4 H ATOM 49242 H2 TIP3 3237 39.787 89.364 46.844 1.00 0.00 WT4 H ATOM 49243 OH2 TIP3 3238 69.794 20.062 4.529 1.00 0.00 WT4 O ATOM 49244 H1 TIP3 3238 70.638 20.366 4.865 1.00 0.00 WT4 H ATOM 49245 H2 TIP3 3238 69.177 20.753 4.768 1.00 0.00 WT4 H ATOM 49246 OH2 TIP3 3240 38.939 17.340 64.894 1.00 0.00 WT4 O ATOM 49247 H1 TIP3 3240 38.134 16.822 64.897 1.00 0.00 WT4 H ATOM 49248 H2 TIP3 3240 39.180 17.413 65.818 1.00 0.00 WT4 H ATOM 49249 OH2 TIP3 3242 45.030 1.840 4.996 1.00 0.00 WT4 O ATOM 49250 H1 TIP3 3242 45.899 1.525 5.243 1.00 0.00 WT4 H ATOM 49251 H2 TIP3 3242 44.932 2.668 5.466 1.00 0.00 WT4 H ATOM 49252 OH2 TIP3 3244 60.328 85.805 43.408 1.00 0.00 WT4 O ATOM 49253 H1 TIP3 3244 59.747 85.232 43.908 1.00 0.00 WT4 H ATOM 49254 H2 TIP3 3244 61.203 85.447 43.554 1.00 0.00 WT4 H ATOM 49255 OH2 TIP3 3257 51.468 83.273 65.760 1.00 0.00 WT4 O ATOM 49256 H1 TIP3 3257 50.545 83.408 65.545 1.00 0.00 WT4 H ATOM 49257 H2 TIP3 3257 51.662 83.942 66.416 1.00 0.00 WT4 H ATOM 49258 OH2 TIP3 3258 76.165 91.496 46.447 1.00 0.00 WT4 O ATOM 49259 H1 TIP3 3258 75.863 91.316 45.557 1.00 0.00 WT4 H ATOM 49260 H2 TIP3 3258 75.368 91.712 46.931 1.00 0.00 WT4 H ATOM 49261 OH2 TIP3 3262 63.357 50.645 -7.493 1.00 0.00 WT4 O ATOM 49262 H1 TIP3 3262 62.860 49.945 -7.071 1.00 0.00 WT4 H ATOM 49263 H2 TIP3 3262 62.722 51.350 -7.618 1.00 0.00 WT4 H ATOM 49264 OH2 TIP3 3274 86.130 0.836 64.724 1.00 0.00 WT4 O ATOM 49265 H1 TIP3 3274 85.475 1.362 65.184 1.00 0.00 WT4 H ATOM 49266 H2 TIP3 3274 86.424 1.395 64.004 1.00 0.00 WT4 H ATOM 49267 OH2 TIP3 3275 34.500 12.414 32.212 1.00 0.00 WT4 O ATOM 49268 H1 TIP3 3275 33.870 13.094 32.451 1.00 0.00 WT4 H ATOM 49269 H2 TIP3 3275 35.336 12.876 32.143 1.00 0.00 WT4 H ATOM 49270 OH2 TIP3 3280 42.172 27.727 41.141 1.00 0.00 WT4 O ATOM 49271 H1 TIP3 3280 42.096 28.676 41.237 1.00 0.00 WT4 H ATOM 49272 H2 TIP3 3280 41.574 27.509 40.426 1.00 0.00 WT4 H ATOM 49273 OH2 TIP3 3282 25.001 76.501 48.499 1.00 0.00 WT4 O ATOM 49274 H1 TIP3 3282 24.416 75.747 48.573 1.00 0.00 WT4 H ATOM 49275 H2 TIP3 3282 25.592 76.276 47.781 1.00 0.00 WT4 H ATOM 49276 OH2 TIP3 3296 73.146 87.399 15.305 1.00 0.00 WT4 O ATOM 49277 H1 TIP3 3296 73.836 87.356 15.967 1.00 0.00 WT4 H ATOM 49278 H2 TIP3 3296 72.338 87.224 15.787 1.00 0.00 WT4 H ATOM 49279 OH2 TIP3 3301 38.756 89.142 11.680 1.00 0.00 WT4 O ATOM 49280 H1 TIP3 3301 38.462 88.264 11.921 1.00 0.00 WT4 H ATOM 49281 H2 TIP3 3301 39.711 89.079 11.660 1.00 0.00 WT4 H ATOM 49282 OH2 TIP3 3302 67.472 26.879 -0.716 1.00 0.00 WT4 O ATOM 49283 H1 TIP3 3302 67.870 26.465 0.050 1.00 0.00 WT4 H ATOM 49284 H2 TIP3 3302 66.584 27.100 -0.435 1.00 0.00 WT4 H ATOM 49285 OH2 TIP3 3303 43.016 89.121 -13.360 1.00 0.00 WT4 O ATOM 49286 H1 TIP3 3303 43.599 89.251 -12.611 1.00 0.00 WT4 H ATOM 49287 H2 TIP3 3303 43.139 88.203 -13.602 1.00 0.00 WT4 H ATOM 49288 OH2 TIP3 3304 85.337 90.970 20.472 1.00 0.00 WT4 O ATOM 49289 H1 TIP3 3304 85.019 90.317 21.096 1.00 0.00 WT4 H ATOM 49290 H2 TIP3 3304 85.830 90.465 19.826 1.00 0.00 WT4 H ATOM 49291 OH2 TIP3 3317 80.787 53.425 37.515 1.00 0.00 WT4 O ATOM 49292 H1 TIP3 3317 80.608 53.374 36.577 1.00 0.00 WT4 H ATOM 49293 H2 TIP3 3317 80.211 54.121 37.832 1.00 0.00 WT4 H ATOM 49294 OH2 TIP3 3347 60.264 76.803 2.171 1.00 0.00 WT4 O ATOM 49295 H1 TIP3 3347 61.031 76.787 2.743 1.00 0.00 WT4 H ATOM 49296 H2 TIP3 3347 59.569 76.400 2.690 1.00 0.00 WT4 H ATOM 49297 OH2 TIP3 3348 73.533 65.132 44.838 1.00 0.00 WT4 O ATOM 49298 H1 TIP3 3348 73.370 64.469 44.167 1.00 0.00 WT4 H ATOM 49299 H2 TIP3 3348 74.393 65.490 44.619 1.00 0.00 WT4 H ATOM 49300 OH2 TIP3 3367 36.090 58.292 63.262 1.00 0.00 WT4 O ATOM 49301 H1 TIP3 3367 35.501 57.903 63.908 1.00 0.00 WT4 H ATOM 49302 H2 TIP3 3367 36.148 57.637 62.566 1.00 0.00 WT4 H ATOM 49303 OH2 TIP3 3382 77.991 88.519 -17.791 1.00 0.00 WT4 O ATOM 49304 H1 TIP3 3382 77.933 89.468 -17.903 1.00 0.00 WT4 H ATOM 49305 H2 TIP3 3382 77.085 88.238 -17.658 1.00 0.00 WT4 H ATOM 49306 OH2 TIP3 3408 26.224 1.875 18.749 1.00 0.00 WT4 O ATOM 49307 H1 TIP3 3408 25.302 1.715 18.952 1.00 0.00 WT4 H ATOM 49308 H2 TIP3 3408 26.605 1.002 18.657 1.00 0.00 WT4 H ATOM 49309 OH2 TIP3 3426 42.300 61.304 -10.028 1.00 0.00 WT4 O ATOM 49310 H1 TIP3 3426 42.042 62.219 -10.133 1.00 0.00 WT4 H ATOM 49311 H2 TIP3 3426 42.968 61.319 -9.343 1.00 0.00 WT4 H ATOM 49312 OH2 TIP3 3442 27.432 67.269 62.844 1.00 0.00 WT4 O ATOM 49313 H1 TIP3 3442 27.502 66.539 62.229 1.00 0.00 WT4 H ATOM 49314 H2 TIP3 3442 28.288 67.696 62.808 1.00 0.00 WT4 H ATOM 49315 OH2 TIP3 3447 58.588 75.503 -13.447 1.00 0.00 WT4 O ATOM 49316 H1 TIP3 3447 59.006 74.825 -12.916 1.00 0.00 WT4 H ATOM 49317 H2 TIP3 3447 58.672 76.302 -12.925 1.00 0.00 WT4 H ATOM 49318 OH2 TIP3 3484 76.590 85.228 -1.441 1.00 0.00 WT4 O ATOM 49319 H1 TIP3 3484 75.683 84.922 -1.430 1.00 0.00 WT4 H ATOM 49320 H2 TIP3 3484 76.521 86.182 -1.471 1.00 0.00 WT4 H ATOM 49321 OH2 TIP3 3511 66.582 5.957 -17.137 1.00 0.00 WT4 O ATOM 49322 H1 TIP3 3511 65.946 5.253 -17.004 1.00 0.00 WT4 H ATOM 49323 H2 TIP3 3511 66.057 6.704 -17.424 1.00 0.00 WT4 H ATOM 49324 OH2 TIP3 3513 51.989 3.099 49.724 1.00 0.00 WT4 O ATOM 49325 H1 TIP3 3513 52.471 2.844 48.938 1.00 0.00 WT4 H ATOM 49326 H2 TIP3 3513 51.702 3.996 49.550 1.00 0.00 WT4 H ATOM 49327 OH2 TIP3 3514 82.011 65.929 41.885 1.00 0.00 WT4 O ATOM 49328 H1 TIP3 3514 81.906 65.625 42.787 1.00 0.00 WT4 H ATOM 49329 H2 TIP3 3514 82.958 66.015 41.771 1.00 0.00 WT4 H ATOM 49330 OH2 TIP3 3526 25.072 53.054 -5.168 1.00 0.00 WT4 O ATOM 49331 H1 TIP3 3526 24.877 53.436 -6.024 1.00 0.00 WT4 H ATOM 49332 H2 TIP3 3526 24.599 52.222 -5.163 1.00 0.00 WT4 H ATOM 49333 OH2 TIP3 3527 43.071 68.061 -17.493 1.00 0.00 WT4 O ATOM 49334 H1 TIP3 3527 42.164 68.351 -17.591 1.00 0.00 WT4 H ATOM 49335 H2 TIP3 3527 43.390 67.962 -18.390 1.00 0.00 WT4 H ATOM 49336 OH2 TIP3 3533 42.711 3.293 33.972 1.00 0.00 WT4 O ATOM 49337 H1 TIP3 3533 42.342 3.020 33.132 1.00 0.00 WT4 H ATOM 49338 H2 TIP3 3533 43.317 2.591 34.208 1.00 0.00 WT4 H ATOM 49339 OH2 TIP3 3534 76.723 49.951 41.068 1.00 0.00 WT4 O ATOM 49340 H1 TIP3 3534 75.874 49.575 41.302 1.00 0.00 WT4 H ATOM 49341 H2 TIP3 3534 76.568 50.394 40.234 1.00 0.00 WT4 H ATOM 49342 OH2 TIP3 3545 21.962 58.035 -19.294 1.00 0.00 WT4 O ATOM 49343 H1 TIP3 3545 21.298 58.079 -18.606 1.00 0.00 WT4 H ATOM 49344 H2 TIP3 3545 21.651 57.348 -19.884 1.00 0.00 WT4 H ATOM 49345 OH2 TIP3 3548 56.372 70.290 49.145 1.00 0.00 WT4 O ATOM 49346 H1 TIP3 3548 56.544 70.760 48.330 1.00 0.00 WT4 H ATOM 49347 H2 TIP3 3548 57.052 70.594 49.746 1.00 0.00 WT4 H ATOM 49348 OH2 TIP3 3554 62.445 49.772 31.725 1.00 0.00 WT4 O ATOM 49349 H1 TIP3 3554 62.195 50.692 31.805 1.00 0.00 WT4 H ATOM 49350 H2 TIP3 3554 61.888 49.431 31.025 1.00 0.00 WT4 H ATOM 49351 OH2 TIP3 3555 82.766 9.332 -8.192 1.00 0.00 WT4 O ATOM 49352 H1 TIP3 3555 82.539 9.885 -7.445 1.00 0.00 WT4 H ATOM 49353 H2 TIP3 3555 83.720 9.255 -8.152 1.00 0.00 WT4 H ATOM 49354 OH2 TIP3 3569 60.112 84.711 10.444 1.00 0.00 WT4 O ATOM 49355 H1 TIP3 3569 59.425 84.955 11.065 1.00 0.00 WT4 H ATOM 49356 H2 TIP3 3569 60.521 83.938 10.832 1.00 0.00 WT4 H ATOM 49357 OH2 TIP3 3573 43.410 59.737 52.867 1.00 0.00 WT4 O ATOM 49358 H1 TIP3 3573 43.803 60.365 52.261 1.00 0.00 WT4 H ATOM 49359 H2 TIP3 3573 43.163 58.994 52.316 1.00 0.00 WT4 H ATOM 49360 OH2 TIP3 3575 80.274 57.658 -18.123 1.00 0.00 WT4 O ATOM 49361 H1 TIP3 3575 81.174 57.542 -18.427 1.00 0.00 WT4 H ATOM 49362 H2 TIP3 3575 80.299 57.410 -17.199 1.00 0.00 WT4 H ATOM 49363 OH2 TIP3 3593 30.200 83.082 -16.785 1.00 0.00 WT4 O ATOM 49364 H1 TIP3 3593 29.865 83.720 -17.415 1.00 0.00 WT4 H ATOM 49365 H2 TIP3 3593 31.077 83.398 -16.567 1.00 0.00 WT4 H ATOM 49366 OH2 TIP3 3595 37.277 65.514 7.306 1.00 0.00 WT4 O ATOM 49367 H1 TIP3 3595 37.787 64.712 7.190 1.00 0.00 WT4 H ATOM 49368 H2 TIP3 3595 37.517 65.826 8.179 1.00 0.00 WT4 H ATOM 49369 OH2 TIP3 3596 41.041 27.553 60.701 1.00 0.00 WT4 O ATOM 49370 H1 TIP3 3596 40.989 28.388 61.167 1.00 0.00 WT4 H ATOM 49371 H2 TIP3 3596 40.461 26.970 61.190 1.00 0.00 WT4 H ATOM 49372 OH2 TIP3 3597 47.412 5.825 -11.644 1.00 0.00 WT4 O ATOM 49373 H1 TIP3 3597 46.829 5.480 -12.320 1.00 0.00 WT4 H ATOM 49374 H2 TIP3 3597 46.870 5.862 -10.856 1.00 0.00 WT4 H ATOM 49375 OH2 TIP3 3599 89.330 74.915 -12.915 1.00 0.00 WT4 O ATOM 49376 H1 TIP3 3599 90.260 74.829 -13.123 1.00 0.00 WT4 H ATOM 49377 H2 TIP3 3599 89.220 74.426 -12.100 1.00 0.00 WT4 H ATOM 49378 OH2 TIP3 3614 71.728 2.130 -19.339 1.00 0.00 WT4 O ATOM 49379 H1 TIP3 3614 71.021 2.063 -18.697 1.00 0.00 WT4 H ATOM 49380 H2 TIP3 3614 71.783 1.256 -19.726 1.00 0.00 WT4 H ATOM 49381 OH2 TIP3 3615 29.140 10.637 58.908 1.00 0.00 WT4 O ATOM 49382 H1 TIP3 3615 28.764 11.364 59.405 1.00 0.00 WT4 H ATOM 49383 H2 TIP3 3615 29.867 11.029 58.424 1.00 0.00 WT4 H ATOM 49384 OH2 TIP3 3623 43.542 95.688 27.651 1.00 0.00 WT4 O ATOM 49385 H1 TIP3 3623 43.653 94.847 28.094 1.00 0.00 WT4 H ATOM 49386 H2 TIP3 3623 43.592 95.478 26.719 1.00 0.00 WT4 H ATOM 49387 OH2 TIP3 3633 23.557 31.770 32.874 1.00 0.00 WT4 O ATOM 49388 H1 TIP3 3633 22.952 31.905 32.144 1.00 0.00 WT4 H ATOM 49389 H2 TIP3 3633 23.671 30.820 32.917 1.00 0.00 WT4 H ATOM 49390 OH2 TIP3 3634 70.398 9.243 46.165 1.00 0.00 WT4 O ATOM 49391 H1 TIP3 3634 71.326 9.459 46.259 1.00 0.00 WT4 H ATOM 49392 H2 TIP3 3634 69.946 10.082 46.258 1.00 0.00 WT4 H ATOM 49393 OH2 TIP3 3636 59.005 7.067 -8.384 1.00 0.00 WT4 O ATOM 49394 H1 TIP3 3636 59.775 6.551 -8.624 1.00 0.00 WT4 H ATOM 49395 H2 TIP3 3636 58.279 6.641 -8.840 1.00 0.00 WT4 H ATOM 49396 OH2 TIP3 3638 61.272 29.042 9.673 1.00 0.00 WT4 O ATOM 49397 H1 TIP3 3638 61.566 28.751 10.536 1.00 0.00 WT4 H ATOM 49398 H2 TIP3 3638 60.632 29.730 9.857 1.00 0.00 WT4 H ATOM 49399 OH2 TIP3 3639 45.696 80.091 61.061 1.00 0.00 WT4 O ATOM 49400 H1 TIP3 3639 46.627 80.163 61.274 1.00 0.00 WT4 H ATOM 49401 H2 TIP3 3639 45.521 79.150 61.066 1.00 0.00 WT4 H ATOM 49402 OH2 TIP3 3641 78.937 91.295 51.821 1.00 0.00 WT4 O ATOM 49403 H1 TIP3 3641 78.753 91.338 52.759 1.00 0.00 WT4 H ATOM 49404 H2 TIP3 3641 79.876 91.466 51.751 1.00 0.00 WT4 H ATOM 49405 OH2 TIP3 3650 72.144 62.149 60.917 1.00 0.00 WT4 O ATOM 49406 H1 TIP3 3650 72.607 61.387 60.567 1.00 0.00 WT4 H ATOM 49407 H2 TIP3 3650 72.425 62.201 61.830 1.00 0.00 WT4 H ATOM 49408 OH2 TIP3 3651 59.645 73.595 63.630 1.00 0.00 WT4 O ATOM 49409 H1 TIP3 3651 60.468 73.418 63.175 1.00 0.00 WT4 H ATOM 49410 H2 TIP3 3651 58.989 73.096 63.143 1.00 0.00 WT4 H ATOM 49411 OH2 TIP3 3653 30.218 35.344 41.122 1.00 0.00 WT4 O ATOM 49412 H1 TIP3 3653 30.293 35.458 40.175 1.00 0.00 WT4 H ATOM 49413 H2 TIP3 3653 29.786 36.141 41.427 1.00 0.00 WT4 H ATOM 49414 OH2 TIP3 3660 79.848 59.522 25.942 1.00 0.00 WT4 O ATOM 49415 H1 TIP3 3660 78.940 59.732 25.728 1.00 0.00 WT4 H ATOM 49416 H2 TIP3 3660 79.939 59.762 26.864 1.00 0.00 WT4 H ATOM 49417 OH2 TIP3 3661 73.391 30.391 1.541 1.00 0.00 WT4 O ATOM 49418 H1 TIP3 3661 72.873 31.151 1.806 1.00 0.00 WT4 H ATOM 49419 H2 TIP3 3661 73.817 30.099 2.346 1.00 0.00 WT4 H ATOM 49420 OH2 TIP3 3662 54.718 67.648 54.530 1.00 0.00 WT4 O ATOM 49421 H1 TIP3 3662 55.508 67.165 54.773 1.00 0.00 WT4 H ATOM 49422 H2 TIP3 3662 54.142 66.988 54.143 1.00 0.00 WT4 H ATOM 49423 OH2 TIP3 3674 53.703 80.967 60.167 1.00 0.00 WT4 O ATOM 49424 H1 TIP3 3674 54.037 80.280 60.743 1.00 0.00 WT4 H ATOM 49425 H2 TIP3 3674 54.208 80.870 59.359 1.00 0.00 WT4 H ATOM 49426 OH2 TIP3 3675 25.313 1.860 46.411 1.00 0.00 WT4 O ATOM 49427 H1 TIP3 3675 25.690 0.986 46.510 1.00 0.00 WT4 H ATOM 49428 H2 TIP3 3675 24.555 1.862 46.996 1.00 0.00 WT4 H ATOM 49429 OH2 TIP3 3693 55.182 3.416 48.062 1.00 0.00 WT4 O ATOM 49430 H1 TIP3 3693 55.353 4.033 48.773 1.00 0.00 WT4 H ATOM 49431 H2 TIP3 3693 55.635 3.790 47.306 1.00 0.00 WT4 H ATOM 49432 OH2 TIP3 3697 79.151 68.670 17.892 1.00 0.00 WT4 O ATOM 49433 H1 TIP3 3697 78.409 69.213 17.625 1.00 0.00 WT4 H ATOM 49434 H2 TIP3 3697 79.155 67.945 17.267 1.00 0.00 WT4 H ATOM 49435 OH2 TIP3 3700 20.647 65.357 32.134 1.00 0.00 WT4 O ATOM 49436 H1 TIP3 3700 20.204 64.729 32.704 1.00 0.00 WT4 H ATOM 49437 H2 TIP3 3700 21.273 64.831 31.636 1.00 0.00 WT4 H ATOM 49438 OH2 TIP3 3701 66.010 78.729 32.367 1.00 0.00 WT4 O ATOM 49439 H1 TIP3 3701 65.419 78.006 32.157 1.00 0.00 WT4 H ATOM 49440 H2 TIP3 3701 66.605 78.778 31.618 1.00 0.00 WT4 H ATOM 49441 OH2 TIP3 3703 52.071 74.154 -3.896 1.00 0.00 WT4 O ATOM 49442 H1 TIP3 3703 52.043 74.778 -4.621 1.00 0.00 WT4 H ATOM 49443 H2 TIP3 3703 51.187 73.791 -3.857 1.00 0.00 WT4 H ATOM 49444 OH2 TIP3 3708 41.276 90.876 -11.289 1.00 0.00 WT4 O ATOM 49445 H1 TIP3 3708 41.960 90.268 -11.006 1.00 0.00 WT4 H ATOM 49446 H2 TIP3 3708 41.516 91.711 -10.888 1.00 0.00 WT4 H ATOM 49447 OH2 TIP3 3718 28.222 1.662 21.970 1.00 0.00 WT4 O ATOM 49448 H1 TIP3 3718 28.782 2.180 21.392 1.00 0.00 WT4 H ATOM 49449 H2 TIP3 3718 28.090 0.838 21.500 1.00 0.00 WT4 H ATOM 49450 OH2 TIP3 3720 46.904 24.327 -16.564 1.00 0.00 WT4 O ATOM 49451 H1 TIP3 3720 47.118 23.676 -15.896 1.00 0.00 WT4 H ATOM 49452 H2 TIP3 3720 46.154 24.801 -16.204 1.00 0.00 WT4 H ATOM 49453 OH2 TIP3 3721 53.853 92.314 2.057 1.00 0.00 WT4 O ATOM 49454 H1 TIP3 3721 53.168 92.273 2.725 1.00 0.00 WT4 H ATOM 49455 H2 TIP3 3721 53.807 91.467 1.615 1.00 0.00 WT4 H ATOM 49456 OH2 TIP3 3722 81.100 85.302 14.172 1.00 0.00 WT4 O ATOM 49457 H1 TIP3 3722 80.665 86.154 14.173 1.00 0.00 WT4 H ATOM 49458 H2 TIP3 3722 81.257 85.111 15.097 1.00 0.00 WT4 H ATOM 49459 OH2 TIP3 3723 58.054 10.983 61.167 1.00 0.00 WT4 O ATOM 49460 H1 TIP3 3723 58.678 10.257 61.185 1.00 0.00 WT4 H ATOM 49461 H2 TIP3 3723 57.407 10.727 60.511 1.00 0.00 WT4 H ATOM 49462 OH2 TIP3 3727 82.549 73.870 48.871 1.00 0.00 WT4 O ATOM 49463 H1 TIP3 3727 82.322 74.406 49.631 1.00 0.00 WT4 H ATOM 49464 H2 TIP3 3727 82.060 73.057 48.996 1.00 0.00 WT4 H ATOM 49465 OH2 TIP3 3740 73.304 85.113 1.370 1.00 0.00 WT4 O ATOM 49466 H1 TIP3 3740 73.346 85.028 0.417 1.00 0.00 WT4 H ATOM 49467 H2 TIP3 3740 74.171 84.840 1.673 1.00 0.00 WT4 H ATOM 49468 OH2 TIP3 3757 46.176 2.074 45.781 1.00 0.00 WT4 O ATOM 49469 H1 TIP3 3757 45.640 1.698 45.084 1.00 0.00 WT4 H ATOM 49470 H2 TIP3 3757 45.974 1.544 46.553 1.00 0.00 WT4 H ATOM 49471 OH2 TIP3 3821 47.230 68.799 -9.902 1.00 0.00 WT4 O ATOM 49472 H1 TIP3 3821 46.589 69.418 -10.251 1.00 0.00 WT4 H ATOM 49473 H2 TIP3 3821 46.814 67.942 -9.998 1.00 0.00 WT4 H ATOM 49474 OH2 TIP3 3829 35.338 40.793 24.545 1.00 0.00 WT4 O ATOM 49475 H1 TIP3 3829 36.172 40.480 24.196 1.00 0.00 WT4 H ATOM 49476 H2 TIP3 3829 34.677 40.403 23.972 1.00 0.00 WT4 H ATOM 49477 OH2 TIP3 3925 44.846 59.268 5.481 1.00 0.00 WT4 O ATOM 49478 H1 TIP3 3925 45.201 60.082 5.122 1.00 0.00 WT4 H ATOM 49479 H2 TIP3 3925 44.509 59.513 6.342 1.00 0.00 WT4 H ATOM 49480 OH2 TIP3 3931 47.123 17.602 35.341 1.00 0.00 WT4 O ATOM 49481 H1 TIP3 3931 47.988 17.254 35.127 1.00 0.00 WT4 H ATOM 49482 H2 TIP3 3931 46.807 17.981 34.520 1.00 0.00 WT4 H ATOM 49483 OH2 TIP3 3933 88.016 14.894 59.744 1.00 0.00 WT4 O ATOM 49484 H1 TIP3 3933 87.362 15.494 59.386 1.00 0.00 WT4 H ATOM 49485 H2 TIP3 3933 88.854 15.322 59.572 1.00 0.00 WT4 H ATOM 49486 OH2 TIP3 3951 79.710 56.204 -15.067 1.00 0.00 WT4 O ATOM 49487 H1 TIP3 3951 78.947 56.773 -15.163 1.00 0.00 WT4 H ATOM 49488 H2 TIP3 3951 79.342 55.333 -14.918 1.00 0.00 WT4 H ATOM 49489 OH2 TIP3 3973 59.353 69.351 -9.002 1.00 0.00 WT4 O ATOM 49490 H1 TIP3 3973 59.307 69.803 -8.160 1.00 0.00 WT4 H ATOM 49491 H2 TIP3 3973 59.405 68.423 -8.774 1.00 0.00 WT4 H ATOM 49492 OH2 TIP3 3974 62.113 9.752 32.018 1.00 0.00 WT4 O ATOM 49493 H1 TIP3 3974 61.157 9.708 32.011 1.00 0.00 WT4 H ATOM 49494 H2 TIP3 3974 62.340 10.186 31.196 1.00 0.00 WT4 H ATOM 49495 OH2 TIP3 3975 27.858 82.272 35.513 1.00 0.00 WT4 O ATOM 49496 H1 TIP3 3975 28.236 83.102 35.222 1.00 0.00 WT4 H ATOM 49497 H2 TIP3 3975 28.294 82.089 36.346 1.00 0.00 WT4 H ATOM 49498 OH2 TIP3 3976 62.320 75.443 44.182 1.00 0.00 WT4 O ATOM 49499 H1 TIP3 3976 62.389 75.121 43.283 1.00 0.00 WT4 H ATOM 49500 H2 TIP3 3976 62.813 76.263 44.181 1.00 0.00 WT4 H ATOM 49501 OH2 TIP3 3977 29.470 64.703 42.523 1.00 0.00 WT4 O ATOM 49502 H1 TIP3 3977 30.262 65.231 42.418 1.00 0.00 WT4 H ATOM 49503 H2 TIP3 3977 29.206 64.488 41.628 1.00 0.00 WT4 H ATOM 49504 OH2 TIP3 3991 58.669 76.748 54.099 1.00 0.00 WT4 O ATOM 49505 H1 TIP3 3991 58.931 77.225 53.311 1.00 0.00 WT4 H ATOM 49506 H2 TIP3 3991 58.017 77.312 54.514 1.00 0.00 WT4 H ATOM 49507 OH2 TIP3 3992 84.458 85.070 -7.916 1.00 0.00 WT4 O ATOM 49508 H1 TIP3 3992 83.773 85.118 -7.249 1.00 0.00 WT4 H ATOM 49509 H2 TIP3 3992 85.275 85.180 -7.429 1.00 0.00 WT4 H ATOM 49510 OH2 TIP3 3993 52.938 79.893 14.485 1.00 0.00 WT4 O ATOM 49511 H1 TIP3 3993 52.922 80.408 13.679 1.00 0.00 WT4 H ATOM 49512 H2 TIP3 3993 52.400 79.125 14.291 1.00 0.00 WT4 H ATOM 49513 OH2 TIP3 3995 68.472 61.966 -8.277 1.00 0.00 WT4 O ATOM 49514 H1 TIP3 3995 67.951 62.596 -7.780 1.00 0.00 WT4 H ATOM 49515 H2 TIP3 3995 68.330 62.207 -9.192 1.00 0.00 WT4 H ATOM 49516 OH2 TIP3 4009 34.333 88.543 5.128 1.00 0.00 WT4 O ATOM 49517 H1 TIP3 4009 34.329 87.743 5.653 1.00 0.00 WT4 H ATOM 49518 H2 TIP3 4009 33.408 88.772 5.033 1.00 0.00 WT4 H ATOM 49519 OH2 TIP3 4010 54.838 0.771 27.117 1.00 0.00 WT4 O ATOM 49520 H1 TIP3 4010 54.343 1.518 26.782 1.00 0.00 WT4 H ATOM 49521 H2 TIP3 4010 55.655 0.781 26.619 1.00 0.00 WT4 H ATOM 49522 OH2 TIP3 4012 87.729 62.122 57.788 1.00 0.00 WT4 O ATOM 49523 H1 TIP3 4012 86.786 62.235 57.910 1.00 0.00 WT4 H ATOM 49524 H2 TIP3 4012 88.121 62.854 58.264 1.00 0.00 WT4 H ATOM 49525 OH2 TIP3 4014 48.448 68.229 -5.717 1.00 0.00 WT4 O ATOM 49526 H1 TIP3 4014 48.375 67.767 -4.881 1.00 0.00 WT4 H ATOM 49527 H2 TIP3 4014 49.134 68.881 -5.571 1.00 0.00 WT4 H ATOM 49528 OH2 TIP3 4015 60.314 78.009 47.904 1.00 0.00 WT4 O ATOM 49529 H1 TIP3 4015 60.817 78.824 47.906 1.00 0.00 WT4 H ATOM 49530 H2 TIP3 4015 59.841 78.018 48.736 1.00 0.00 WT4 H ATOM 49531 OH2 TIP3 4016 60.538 19.351 27.211 1.00 0.00 WT4 O ATOM 49532 H1 TIP3 4016 60.806 20.263 27.327 1.00 0.00 WT4 H ATOM 49533 H2 TIP3 4016 60.896 19.102 26.359 1.00 0.00 WT4 H ATOM 49534 OH2 TIP3 4017 31.612 75.315 36.786 1.00 0.00 WT4 O ATOM 49535 H1 TIP3 4017 31.325 75.728 35.971 1.00 0.00 WT4 H ATOM 49536 H2 TIP3 4017 31.845 74.422 36.533 1.00 0.00 WT4 H ATOM 49537 OH2 TIP3 4021 77.032 60.696 -7.628 1.00 0.00 WT4 O ATOM 49538 H1 TIP3 4021 76.794 60.378 -6.757 1.00 0.00 WT4 H ATOM 49539 H2 TIP3 4021 76.422 60.256 -8.220 1.00 0.00 WT4 H ATOM 49540 OH2 TIP3 4022 81.314 13.413 50.510 1.00 0.00 WT4 O ATOM 49541 H1 TIP3 4022 81.650 13.390 51.406 1.00 0.00 WT4 H ATOM 49542 H2 TIP3 4022 81.637 12.606 50.111 1.00 0.00 WT4 H ATOM 49543 OH2 TIP3 4030 44.070 12.376 11.732 1.00 0.00 WT4 O ATOM 49544 H1 TIP3 4030 43.798 12.140 12.619 1.00 0.00 WT4 H ATOM 49545 H2 TIP3 4030 44.325 11.545 11.331 1.00 0.00 WT4 H ATOM 49546 OH2 TIP3 4035 75.437 71.637 -4.445 1.00 0.00 WT4 O ATOM 49547 H1 TIP3 4035 76.172 71.138 -4.802 1.00 0.00 WT4 H ATOM 49548 H2 TIP3 4035 74.748 70.987 -4.311 1.00 0.00 WT4 H ATOM 49549 OH2 TIP3 4036 39.188 3.472 52.303 1.00 0.00 WT4 O ATOM 49550 H1 TIP3 4036 38.562 3.380 53.022 1.00 0.00 WT4 H ATOM 49551 H2 TIP3 4036 40.044 3.348 52.713 1.00 0.00 WT4 H ATOM 49552 OH2 TIP3 4040 86.595 37.054 58.471 1.00 0.00 WT4 O ATOM 49553 H1 TIP3 4040 87.521 36.812 58.489 1.00 0.00 WT4 H ATOM 49554 H2 TIP3 4040 86.189 36.406 57.894 1.00 0.00 WT4 H ATOM 49555 OH2 TIP3 4053 21.502 68.128 66.022 1.00 0.00 WT4 O ATOM 49556 H1 TIP3 4053 20.832 68.189 66.703 1.00 0.00 WT4 H ATOM 49557 H2 TIP3 4053 22.328 68.268 66.486 1.00 0.00 WT4 H ATOM 49558 OH2 TIP3 4054 25.548 83.311 -18.176 1.00 0.00 WT4 O ATOM 49559 H1 TIP3 4054 25.101 83.208 -19.016 1.00 0.00 WT4 H ATOM 49560 H2 TIP3 4054 26.306 82.729 -18.235 1.00 0.00 WT4 H ATOM 49561 OH2 TIP3 4055 87.089 93.171 59.794 1.00 0.00 WT4 O ATOM 49562 H1 TIP3 4055 86.528 93.890 59.502 1.00 0.00 WT4 H ATOM 49563 H2 TIP3 4055 86.773 92.962 60.673 1.00 0.00 WT4 H ATOM 49564 OH2 TIP3 4056 68.424 47.850 -3.545 1.00 0.00 WT4 O ATOM 49565 H1 TIP3 4056 68.802 47.568 -2.711 1.00 0.00 WT4 H ATOM 49566 H2 TIP3 4056 67.561 48.191 -3.313 1.00 0.00 WT4 H ATOM 49567 OH2 TIP3 4057 68.930 79.570 5.314 1.00 0.00 WT4 O ATOM 49568 H1 TIP3 4057 68.082 79.491 4.876 1.00 0.00 WT4 H ATOM 49569 H2 TIP3 4057 68.907 78.906 6.003 1.00 0.00 WT4 H ATOM 49570 OH2 TIP3 4058 66.234 10.012 50.240 1.00 0.00 WT4 O ATOM 49571 H1 TIP3 4058 65.934 10.775 49.748 1.00 0.00 WT4 H ATOM 49572 H2 TIP3 4058 65.902 9.262 49.747 1.00 0.00 WT4 H ATOM 49573 OH2 TIP3 4059 57.392 8.112 34.056 1.00 0.00 WT4 O ATOM 49574 H1 TIP3 4059 57.170 9.040 33.981 1.00 0.00 WT4 H ATOM 49575 H2 TIP3 4059 58.313 8.064 33.797 1.00 0.00 WT4 H ATOM 49576 OH2 TIP3 4060 59.820 82.185 64.535 1.00 0.00 WT4 O ATOM 49577 H1 TIP3 4060 59.377 81.362 64.332 1.00 0.00 WT4 H ATOM 49578 H2 TIP3 4060 60.109 82.518 63.686 1.00 0.00 WT4 H ATOM 49579 OH2 TIP3 4064 59.150 63.271 36.051 1.00 0.00 WT4 O ATOM 49580 H1 TIP3 4064 59.041 64.131 35.646 1.00 0.00 WT4 H ATOM 49581 H2 TIP3 4064 58.422 62.752 35.710 1.00 0.00 WT4 H ATOM 49582 OH2 TIP3 4072 30.348 75.066 20.166 1.00 0.00 WT4 O ATOM 49583 H1 TIP3 4072 29.407 75.076 19.989 1.00 0.00 WT4 H ATOM 49584 H2 TIP3 4072 30.512 74.201 20.542 1.00 0.00 WT4 H ATOM 49585 OH2 TIP3 4074 69.096 54.108 66.806 1.00 0.00 WT4 O ATOM 49586 H1 TIP3 4074 68.149 53.976 66.764 1.00 0.00 WT4 H ATOM 49587 H2 TIP3 4074 69.274 54.275 67.731 1.00 0.00 WT4 H ATOM 49588 OH2 TIP3 4076 28.275 89.825 49.220 1.00 0.00 WT4 O ATOM 49589 H1 TIP3 4076 29.180 89.868 48.911 1.00 0.00 WT4 H ATOM 49590 H2 TIP3 4076 27.820 90.506 48.724 1.00 0.00 WT4 H ATOM 49591 OH2 TIP3 4077 72.704 37.612 42.194 1.00 0.00 WT4 O ATOM 49592 H1 TIP3 4077 72.964 38.172 42.925 1.00 0.00 WT4 H ATOM 49593 H2 TIP3 4077 72.905 38.127 41.413 1.00 0.00 WT4 H ATOM 49594 OH2 TIP3 4078 62.428 68.303 -12.839 1.00 0.00 WT4 O ATOM 49595 H1 TIP3 4078 63.195 68.439 -12.284 1.00 0.00 WT4 H ATOM 49596 H2 TIP3 4078 62.336 69.121 -13.327 1.00 0.00 WT4 H ATOM 49597 OH2 TIP3 4083 61.425 31.596 42.962 1.00 0.00 WT4 O ATOM 49598 H1 TIP3 4083 61.057 32.124 42.254 1.00 0.00 WT4 H ATOM 49599 H2 TIP3 4083 60.856 30.827 43.009 1.00 0.00 WT4 H ATOM 49600 OH2 TIP3 4093 25.314 38.324 56.401 1.00 0.00 WT4 O ATOM 49601 H1 TIP3 4093 25.251 38.993 57.083 1.00 0.00 WT4 H ATOM 49602 H2 TIP3 4093 25.975 37.713 56.724 1.00 0.00 WT4 H ATOM 49603 OH2 TIP3 4097 62.079 18.768 31.498 1.00 0.00 WT4 O ATOM 49604 H1 TIP3 4097 61.915 18.312 32.323 1.00 0.00 WT4 H ATOM 49605 H2 TIP3 4097 62.729 19.435 31.717 1.00 0.00 WT4 H ATOM 49606 OH2 TIP3 4098 64.775 71.590 39.819 1.00 0.00 WT4 O ATOM 49607 H1 TIP3 4098 64.336 71.507 38.972 1.00 0.00 WT4 H ATOM 49608 H2 TIP3 4098 65.705 71.657 39.601 1.00 0.00 WT4 H ATOM 49609 OH2 TIP3 4099 82.182 83.208 61.865 1.00 0.00 WT4 O ATOM 49610 H1 TIP3 4099 82.562 82.771 62.627 1.00 0.00 WT4 H ATOM 49611 H2 TIP3 4099 81.274 83.380 62.115 1.00 0.00 WT4 H ATOM 49612 OH2 TIP3 4101 22.185 42.112 40.936 1.00 0.00 WT4 O ATOM 49613 H1 TIP3 4101 21.703 41.738 40.198 1.00 0.00 WT4 H ATOM 49614 H2 TIP3 4101 22.317 43.030 40.696 1.00 0.00 WT4 H ATOM 49615 OH2 TIP3 4104 24.605 69.474 47.062 1.00 0.00 WT4 O ATOM 49616 H1 TIP3 4104 25.328 69.622 46.452 1.00 0.00 WT4 H ATOM 49617 H2 TIP3 4104 24.384 68.550 46.952 1.00 0.00 WT4 H ATOM 49618 OH2 TIP3 4116 31.885 86.308 18.201 1.00 0.00 WT4 O ATOM 49619 H1 TIP3 4116 32.376 85.670 18.720 1.00 0.00 WT4 H ATOM 49620 H2 TIP3 4116 30.968 86.134 18.412 1.00 0.00 WT4 H ATOM 49621 OH2 TIP3 4120 69.716 31.086 6.241 1.00 0.00 WT4 O ATOM 49622 H1 TIP3 4120 69.968 30.845 5.349 1.00 0.00 WT4 H ATOM 49623 H2 TIP3 4120 68.961 31.664 6.129 1.00 0.00 WT4 H ATOM 49624 OH2 TIP3 4121 44.737 91.546 31.315 1.00 0.00 WT4 O ATOM 49625 H1 TIP3 4121 44.271 90.754 31.587 1.00 0.00 WT4 H ATOM 49626 H2 TIP3 4121 44.711 92.115 32.085 1.00 0.00 WT4 H ATOM 49627 OH2 TIP3 4123 73.344 89.452 42.466 1.00 0.00 WT4 O ATOM 49628 H1 TIP3 4123 74.024 88.852 42.159 1.00 0.00 WT4 H ATOM 49629 H2 TIP3 4123 72.569 89.217 41.957 1.00 0.00 WT4 H ATOM 49630 OH2 TIP3 4138 79.804 91.641 59.641 1.00 0.00 WT4 O ATOM 49631 H1 TIP3 4138 80.473 91.225 59.097 1.00 0.00 WT4 H ATOM 49632 H2 TIP3 4138 80.031 92.571 59.630 1.00 0.00 WT4 H ATOM 49633 OH2 TIP3 4139 83.193 81.228 26.198 1.00 0.00 WT4 O ATOM 49634 H1 TIP3 4139 82.324 81.026 25.852 1.00 0.00 WT4 H ATOM 49635 H2 TIP3 4139 83.024 81.699 27.014 1.00 0.00 WT4 H ATOM 49636 OH2 TIP3 4141 47.490 93.895 52.632 1.00 0.00 WT4 O ATOM 49637 H1 TIP3 4141 48.310 94.253 52.292 1.00 0.00 WT4 H ATOM 49638 H2 TIP3 4141 47.221 93.249 51.979 1.00 0.00 WT4 H ATOM 49639 OH2 TIP3 4142 39.294 32.441 46.188 1.00 0.00 WT4 O ATOM 49640 H1 TIP3 4142 39.400 31.658 46.727 1.00 0.00 WT4 H ATOM 49641 H2 TIP3 4142 39.611 32.182 45.323 1.00 0.00 WT4 H ATOM 49642 OH2 TIP3 4143 29.434 73.094 46.934 1.00 0.00 WT4 O ATOM 49643 H1 TIP3 4143 30.297 72.771 47.193 1.00 0.00 WT4 H ATOM 49644 H2 TIP3 4143 29.097 73.532 47.716 1.00 0.00 WT4 H ATOM 49645 OH2 TIP3 4157 77.167 0.879 -14.084 1.00 0.00 WT4 O ATOM 49646 H1 TIP3 4157 77.674 1.116 -13.307 1.00 0.00 WT4 H ATOM 49647 H2 TIP3 4157 76.256 0.893 -13.789 1.00 0.00 WT4 H ATOM 49648 OH2 TIP3 4161 73.645 21.433 46.069 1.00 0.00 WT4 O ATOM 49649 H1 TIP3 4161 73.955 22.280 45.750 1.00 0.00 WT4 H ATOM 49650 H2 TIP3 4161 72.787 21.619 46.449 1.00 0.00 WT4 H ATOM 49651 OH2 TIP3 4165 23.996 68.987 66.869 1.00 0.00 WT4 O ATOM 49652 H1 TIP3 4165 24.387 69.372 67.653 1.00 0.00 WT4 H ATOM 49653 H2 TIP3 4165 24.710 68.965 66.231 1.00 0.00 WT4 H ATOM 49654 OH2 TIP3 4179 73.316 75.511 -10.793 1.00 0.00 WT4 O ATOM 49655 H1 TIP3 4179 72.412 75.495 -11.106 1.00 0.00 WT4 H ATOM 49656 H2 TIP3 4179 73.606 74.601 -10.849 1.00 0.00 WT4 H ATOM 49657 OH2 TIP3 4184 85.352 90.470 65.347 1.00 0.00 WT4 O ATOM 49658 H1 TIP3 4184 84.640 90.198 64.767 1.00 0.00 WT4 H ATOM 49659 H2 TIP3 4184 86.037 89.817 65.208 1.00 0.00 WT4 H ATOM 49660 OH2 TIP3 4186 61.054 35.144 49.285 1.00 0.00 WT4 O ATOM 49661 H1 TIP3 4186 61.459 35.304 48.433 1.00 0.00 WT4 H ATOM 49662 H2 TIP3 4186 61.311 34.249 49.508 1.00 0.00 WT4 H ATOM 49663 OH2 TIP3 4201 89.631 25.227 -9.992 1.00 0.00 WT4 O ATOM 49664 H1 TIP3 4201 90.362 25.814 -9.798 1.00 0.00 WT4 H ATOM 49665 H2 TIP3 4201 88.865 25.800 -10.023 1.00 0.00 WT4 H ATOM 49666 OH2 TIP3 4202 54.742 86.765 44.530 1.00 0.00 WT4 O ATOM 49667 H1 TIP3 4202 54.350 85.944 44.232 1.00 0.00 WT4 H ATOM 49668 H2 TIP3 4202 54.094 87.434 44.309 1.00 0.00 WT4 H ATOM 49669 OH2 TIP3 4243 38.697 8.466 49.347 1.00 0.00 WT4 O ATOM 49670 H1 TIP3 4243 39.162 8.695 50.152 1.00 0.00 WT4 H ATOM 49671 H2 TIP3 4243 38.987 7.575 49.148 1.00 0.00 WT4 H ATOM 49672 OH2 TIP3 4356 45.189 87.147 -7.934 1.00 0.00 WT4 O ATOM 49673 H1 TIP3 4356 44.700 87.209 -7.114 1.00 0.00 WT4 H ATOM 49674 H2 TIP3 4356 44.767 86.431 -8.410 1.00 0.00 WT4 H ATOM 49675 OH2 TIP3 4374 25.538 66.821 38.320 1.00 0.00 WT4 O ATOM 49676 H1 TIP3 4374 25.618 67.145 37.423 1.00 0.00 WT4 H ATOM 49677 H2 TIP3 4374 26.322 67.146 38.763 1.00 0.00 WT4 H ATOM 49678 OH2 TIP3 4394 61.869 34.226 65.666 1.00 0.00 WT4 O ATOM 49679 H1 TIP3 4394 61.137 33.788 65.232 1.00 0.00 WT4 H ATOM 49680 H2 TIP3 4394 61.464 34.939 66.160 1.00 0.00 WT4 H ATOM 49681 OH2 TIP3 4414 30.569 89.809 53.081 1.00 0.00 WT4 O ATOM 49682 H1 TIP3 4414 30.694 90.358 53.855 1.00 0.00 WT4 H ATOM 49683 H2 TIP3 4414 31.299 90.036 52.505 1.00 0.00 WT4 H ATOM 49684 OH2 TIP3 4417 20.675 93.092 43.863 1.00 0.00 WT4 O ATOM 49685 H1 TIP3 4417 21.259 92.342 43.969 1.00 0.00 WT4 H ATOM 49686 H2 TIP3 4417 19.797 92.711 43.835 1.00 0.00 WT4 H ATOM 49687 OH2 TIP3 4419 72.007 45.747 8.283 1.00 0.00 WT4 O ATOM 49688 H1 TIP3 4419 71.401 45.557 8.999 1.00 0.00 WT4 H ATOM 49689 H2 TIP3 4419 71.481 46.228 7.644 1.00 0.00 WT4 H ATOM 49690 OH2 TIP3 4432 88.650 0.126 -8.817 1.00 0.00 WT4 O ATOM 49691 H1 TIP3 4432 89.513 0.352 -8.470 1.00 0.00 WT4 H ATOM 49692 H2 TIP3 4432 88.082 0.842 -8.532 1.00 0.00 WT4 H ATOM 49693 OH2 TIP3 4434 46.216 79.088 47.971 1.00 0.00 WT4 O ATOM 49694 H1 TIP3 4434 45.717 79.111 47.154 1.00 0.00 WT4 H ATOM 49695 H2 TIP3 4434 46.069 79.947 48.366 1.00 0.00 WT4 H ATOM 49696 OH2 TIP3 4437 84.749 76.983 24.171 1.00 0.00 WT4 O ATOM 49697 H1 TIP3 4437 84.293 76.716 23.373 1.00 0.00 WT4 H ATOM 49698 H2 TIP3 4437 84.243 76.589 24.881 1.00 0.00 WT4 H ATOM 49699 OH2 TIP3 4438 43.190 24.938 -10.419 1.00 0.00 WT4 O ATOM 49700 H1 TIP3 4438 42.591 25.035 -11.159 1.00 0.00 WT4 H ATOM 49701 H2 TIP3 4438 43.833 25.637 -10.537 1.00 0.00 WT4 H ATOM 49702 OH2 TIP3 4453 70.504 71.959 -14.926 1.00 0.00 WT4 O ATOM 49703 H1 TIP3 4453 70.810 71.818 -15.822 1.00 0.00 WT4 H ATOM 49704 H2 TIP3 4453 71.095 71.435 -14.385 1.00 0.00 WT4 H ATOM 49705 OH2 TIP3 4455 72.837 74.323 58.384 1.00 0.00 WT4 O ATOM 49706 H1 TIP3 4455 73.439 75.021 58.642 1.00 0.00 WT4 H ATOM 49707 H2 TIP3 4455 73.066 74.132 57.475 1.00 0.00 WT4 H ATOM 49708 OH2 TIP3 4457 68.994 5.358 65.718 1.00 0.00 WT4 O ATOM 49709 H1 TIP3 4457 69.673 4.781 65.368 1.00 0.00 WT4 H ATOM 49710 H2 TIP3 4457 68.960 5.149 66.652 1.00 0.00 WT4 H ATOM 49711 OH2 TIP3 4461 68.186 43.141 -18.741 1.00 0.00 WT4 O ATOM 49712 H1 TIP3 4461 67.689 42.422 -19.131 1.00 0.00 WT4 H ATOM 49713 H2 TIP3 4461 67.566 43.570 -18.152 1.00 0.00 WT4 H ATOM 49714 OH2 TIP3 4473 28.267 85.306 28.982 1.00 0.00 WT4 O ATOM 49715 H1 TIP3 4473 28.968 84.824 29.421 1.00 0.00 WT4 H ATOM 49716 H2 TIP3 4473 28.520 86.225 29.064 1.00 0.00 WT4 H ATOM 49717 OH2 TIP3 4477 26.467 79.219 54.013 1.00 0.00 WT4 O ATOM 49718 H1 TIP3 4477 26.864 79.310 53.147 1.00 0.00 WT4 H ATOM 49719 H2 TIP3 4477 26.146 80.095 54.223 1.00 0.00 WT4 H ATOM 49720 OH2 TIP3 4478 40.379 10.236 57.027 1.00 0.00 WT4 O ATOM 49721 H1 TIP3 4478 40.899 9.860 57.738 1.00 0.00 WT4 H ATOM 49722 H2 TIP3 4478 39.563 9.735 57.037 1.00 0.00 WT4 H ATOM 49723 OH2 TIP3 4479 63.258 75.080 -12.515 1.00 0.00 WT4 O ATOM 49724 H1 TIP3 4479 63.283 74.277 -11.995 1.00 0.00 WT4 H ATOM 49725 H2 TIP3 4479 64.114 75.118 -12.941 1.00 0.00 WT4 H ATOM 49726 OH2 TIP3 4480 47.482 80.004 -2.273 1.00 0.00 WT4 O ATOM 49727 H1 TIP3 4480 47.780 80.070 -1.366 1.00 0.00 WT4 H ATOM 49728 H2 TIP3 4480 48.223 79.618 -2.741 1.00 0.00 WT4 H ATOM 49729 OH2 TIP3 4496 57.896 79.546 5.759 1.00 0.00 WT4 O ATOM 49730 H1 TIP3 4496 57.802 78.780 6.326 1.00 0.00 WT4 H ATOM 49731 H2 TIP3 4496 58.504 80.118 6.228 1.00 0.00 WT4 H ATOM 49732 OH2 TIP3 4499 32.203 58.363 14.868 1.00 0.00 WT4 O ATOM 49733 H1 TIP3 4499 31.902 57.591 14.388 1.00 0.00 WT4 H ATOM 49734 H2 TIP3 4499 33.079 58.127 15.174 1.00 0.00 WT4 H ATOM 49735 OH2 TIP3 4500 47.600 4.020 23.109 1.00 0.00 WT4 O ATOM 49736 H1 TIP3 4500 46.949 4.567 22.669 1.00 0.00 WT4 H ATOM 49737 H2 TIP3 4500 47.103 3.268 23.431 1.00 0.00 WT4 H ATOM 49738 OH2 TIP3 4501 75.273 24.762 -1.810 1.00 0.00 WT4 O ATOM 49739 H1 TIP3 4501 76.009 25.318 -2.064 1.00 0.00 WT4 H ATOM 49740 H2 TIP3 4501 75.675 24.026 -1.350 1.00 0.00 WT4 H ATOM 49741 OH2 TIP3 4513 32.057 60.321 -1.235 1.00 0.00 WT4 O ATOM 49742 H1 TIP3 4513 32.029 59.995 -0.335 1.00 0.00 WT4 H ATOM 49743 H2 TIP3 4513 32.316 59.561 -1.757 1.00 0.00 WT4 H ATOM 49744 OH2 TIP3 4515 27.165 23.769 18.297 1.00 0.00 WT4 O ATOM 49745 H1 TIP3 4515 26.848 24.318 19.014 1.00 0.00 WT4 H ATOM 49746 H2 TIP3 4515 27.008 24.289 17.509 1.00 0.00 WT4 H ATOM 49747 OH2 TIP3 4516 49.597 30.768 64.672 1.00 0.00 WT4 O ATOM 49748 H1 TIP3 4516 48.750 30.660 64.239 1.00 0.00 WT4 H ATOM 49749 H2 TIP3 4516 49.783 31.705 64.604 1.00 0.00 WT4 H ATOM 49750 OH2 TIP3 4517 57.129 59.818 -7.019 1.00 0.00 WT4 O ATOM 49751 H1 TIP3 4517 57.979 59.386 -6.942 1.00 0.00 WT4 H ATOM 49752 H2 TIP3 4517 56.533 59.269 -6.509 1.00 0.00 WT4 H ATOM 49753 OH2 TIP3 4518 36.938 79.197 61.991 1.00 0.00 WT4 O ATOM 49754 H1 TIP3 4518 36.386 79.952 61.789 1.00 0.00 WT4 H ATOM 49755 H2 TIP3 4518 37.546 79.140 61.253 1.00 0.00 WT4 H ATOM 49756 OH2 TIP3 4519 39.773 93.993 10.282 1.00 0.00 WT4 O ATOM 49757 H1 TIP3 4519 39.799 94.621 9.560 1.00 0.00 WT4 H ATOM 49758 H2 TIP3 4519 39.368 93.211 9.906 1.00 0.00 WT4 H ATOM 49759 OH2 TIP3 4523 56.642 4.949 20.650 1.00 0.00 WT4 O ATOM 49760 H1 TIP3 4523 57.583 5.110 20.713 1.00 0.00 WT4 H ATOM 49761 H2 TIP3 4523 56.365 4.786 21.552 1.00 0.00 WT4 H ATOM 49762 OH2 TIP3 4524 22.376 70.570 64.333 1.00 0.00 WT4 O ATOM 49763 H1 TIP3 4524 22.286 71.141 65.096 1.00 0.00 WT4 H ATOM 49764 H2 TIP3 4524 22.459 71.170 63.592 1.00 0.00 WT4 H ATOM 49765 OH2 TIP3 4536 37.235 39.504 26.813 1.00 0.00 WT4 O ATOM 49766 H1 TIP3 4536 37.561 39.174 27.650 1.00 0.00 WT4 H ATOM 49767 H2 TIP3 4536 37.925 39.290 26.185 1.00 0.00 WT4 H ATOM 49768 OH2 TIP3 4537 56.634 92.690 48.403 1.00 0.00 WT4 O ATOM 49769 H1 TIP3 4537 56.041 91.999 48.108 1.00 0.00 WT4 H ATOM 49770 H2 TIP3 4537 56.062 93.434 48.591 1.00 0.00 WT4 H ATOM 49771 OH2 TIP3 4538 28.250 73.559 49.334 1.00 0.00 WT4 O ATOM 49772 H1 TIP3 4538 28.242 74.138 50.096 1.00 0.00 WT4 H ATOM 49773 H2 TIP3 4538 27.382 73.155 49.332 1.00 0.00 WT4 H ATOM 49774 OH2 TIP3 4542 26.642 90.649 -10.927 1.00 0.00 WT4 O ATOM 49775 H1 TIP3 4542 27.223 90.235 -10.289 1.00 0.00 WT4 H ATOM 49776 H2 TIP3 4542 26.673 91.581 -10.711 1.00 0.00 WT4 H ATOM 49777 OH2 TIP3 4544 38.383 47.650 27.988 1.00 0.00 WT4 O ATOM 49778 H1 TIP3 4544 38.432 47.102 27.205 1.00 0.00 WT4 H ATOM 49779 H2 TIP3 4544 37.780 48.354 27.751 1.00 0.00 WT4 H ATOM 49780 OH2 TIP3 4553 76.897 73.616 -9.955 1.00 0.00 WT4 O ATOM 49781 H1 TIP3 4553 77.371 73.261 -10.707 1.00 0.00 WT4 H ATOM 49782 H2 TIP3 4553 77.230 74.509 -9.861 1.00 0.00 WT4 H ATOM 49783 OH2 TIP3 4558 34.316 81.915 33.155 1.00 0.00 WT4 O ATOM 49784 H1 TIP3 4558 34.622 81.011 33.083 1.00 0.00 WT4 H ATOM 49785 H2 TIP3 4558 33.455 81.845 33.568 1.00 0.00 WT4 H ATOM 49786 OH2 TIP3 4559 89.422 83.284 41.682 1.00 0.00 WT4 O ATOM 49787 H1 TIP3 4559 88.978 83.791 42.362 1.00 0.00 WT4 H ATOM 49788 H2 TIP3 4559 88.713 82.892 41.173 1.00 0.00 WT4 H ATOM 49789 OH2 TIP3 4560 55.494 80.184 18.470 1.00 0.00 WT4 O ATOM 49790 H1 TIP3 4560 55.662 80.914 17.874 1.00 0.00 WT4 H ATOM 49791 H2 TIP3 4560 55.067 80.587 19.227 1.00 0.00 WT4 H ATOM 49792 OH2 TIP3 4561 36.270 10.091 51.528 1.00 0.00 WT4 O ATOM 49793 H1 TIP3 4561 36.987 9.781 52.081 1.00 0.00 WT4 H ATOM 49794 H2 TIP3 4561 36.054 10.956 51.878 1.00 0.00 WT4 H ATOM 49795 OH2 TIP3 4562 40.746 58.588 41.856 1.00 0.00 WT4 O ATOM 49796 H1 TIP3 4562 40.771 59.525 41.660 1.00 0.00 WT4 H ATOM 49797 H2 TIP3 4562 41.059 58.167 41.056 1.00 0.00 WT4 H ATOM 49798 OH2 TIP3 4569 30.840 4.779 53.122 1.00 0.00 WT4 O ATOM 49799 H1 TIP3 4569 31.710 4.504 53.412 1.00 0.00 WT4 H ATOM 49800 H2 TIP3 4569 31.007 5.379 52.395 1.00 0.00 WT4 H ATOM 49801 OH2 TIP3 4578 88.788 49.458 37.064 1.00 0.00 WT4 O ATOM 49802 H1 TIP3 4578 87.892 49.510 36.731 1.00 0.00 WT4 H ATOM 49803 H2 TIP3 4578 89.034 48.540 36.953 1.00 0.00 WT4 H ATOM 49804 OH2 TIP3 4581 51.714 62.074 63.791 1.00 0.00 WT4 O ATOM 49805 H1 TIP3 4581 51.137 62.829 63.674 1.00 0.00 WT4 H ATOM 49806 H2 TIP3 4581 51.485 61.484 63.073 1.00 0.00 WT4 H ATOM 49807 OH2 TIP3 4582 30.630 85.216 52.117 1.00 0.00 WT4 O ATOM 49808 H1 TIP3 4582 30.784 85.645 51.275 1.00 0.00 WT4 H ATOM 49809 H2 TIP3 4582 30.995 84.338 52.009 1.00 0.00 WT4 H ATOM 49810 OH2 TIP3 4586 52.196 58.553 0.805 1.00 0.00 WT4 O ATOM 49811 H1 TIP3 4586 52.292 58.079 1.631 1.00 0.00 WT4 H ATOM 49812 H2 TIP3 4586 52.800 59.291 0.880 1.00 0.00 WT4 H ATOM 49813 OH2 TIP3 4599 33.795 47.386 31.597 1.00 0.00 WT4 O ATOM 49814 H1 TIP3 4599 34.594 47.140 32.064 1.00 0.00 WT4 H ATOM 49815 H2 TIP3 4599 33.604 48.274 31.900 1.00 0.00 WT4 H ATOM 49816 OH2 TIP3 4600 55.105 88.272 9.682 1.00 0.00 WT4 O ATOM 49817 H1 TIP3 4600 55.593 87.539 9.308 1.00 0.00 WT4 H ATOM 49818 H2 TIP3 4600 54.222 87.928 9.819 1.00 0.00 WT4 H ATOM 49819 OH2 TIP3 4624 83.001 2.148 -5.782 1.00 0.00 WT4 O ATOM 49820 H1 TIP3 4624 82.310 2.778 -5.577 1.00 0.00 WT4 H ATOM 49821 H2 TIP3 4624 83.104 2.206 -6.732 1.00 0.00 WT4 H ATOM 49822 OH2 TIP3 4625 46.306 40.105 28.218 1.00 0.00 WT4 O ATOM 49823 H1 TIP3 4625 47.114 40.060 27.706 1.00 0.00 WT4 H ATOM 49824 H2 TIP3 4625 45.625 39.798 27.619 1.00 0.00 WT4 H ATOM 49825 OH2 TIP3 4628 53.413 70.101 32.996 1.00 0.00 WT4 O ATOM 49826 H1 TIP3 4628 53.140 70.910 33.428 1.00 0.00 WT4 H ATOM 49827 H2 TIP3 4628 54.257 69.888 33.394 1.00 0.00 WT4 H ATOM 49828 OH2 TIP3 4644 56.482 1.745 3.221 1.00 0.00 WT4 O ATOM 49829 H1 TIP3 4644 56.126 2.633 3.195 1.00 0.00 WT4 H ATOM 49830 H2 TIP3 4644 56.960 1.703 4.049 1.00 0.00 WT4 H ATOM 49831 OH2 TIP3 4663 21.735 93.809 24.866 1.00 0.00 WT4 O ATOM 49832 H1 TIP3 4663 21.668 94.764 24.852 1.00 0.00 WT4 H ATOM 49833 H2 TIP3 4663 22.312 93.621 25.607 1.00 0.00 WT4 H ATOM 49834 OH2 TIP3 4725 76.574 86.872 55.357 1.00 0.00 WT4 O ATOM 49835 H1 TIP3 4725 76.520 86.852 56.312 1.00 0.00 WT4 H ATOM 49836 H2 TIP3 4725 75.981 86.178 55.068 1.00 0.00 WT4 H ATOM 49837 OH2 TIP3 4808 84.789 95.434 60.484 1.00 0.00 WT4 O ATOM 49838 H1 TIP3 4808 84.233 95.175 61.219 1.00 0.00 WT4 H ATOM 49839 H2 TIP3 4808 85.646 95.595 60.877 1.00 0.00 WT4 H ATOM 49840 OH2 TIP3 4834 73.169 59.908 54.239 1.00 0.00 WT4 O ATOM 49841 H1 TIP3 4834 72.244 59.689 54.130 1.00 0.00 WT4 H ATOM 49842 H2 TIP3 4834 73.167 60.693 54.787 1.00 0.00 WT4 H ATOM 49843 OH2 TIP3 4836 56.734 77.121 35.714 1.00 0.00 WT4 O ATOM 49844 H1 TIP3 4836 56.829 76.173 35.809 1.00 0.00 WT4 H ATOM 49845 H2 TIP3 4836 56.462 77.244 34.804 1.00 0.00 WT4 H ATOM 49846 OH2 TIP3 4849 34.235 36.950 55.202 1.00 0.00 WT4 O ATOM 49847 H1 TIP3 4849 34.085 37.688 54.612 1.00 0.00 WT4 H ATOM 49848 H2 TIP3 4849 35.121 37.087 55.537 1.00 0.00 WT4 H ATOM 49849 OH2 TIP3 4851 79.841 76.913 29.956 1.00 0.00 WT4 O ATOM 49850 H1 TIP3 4851 79.971 76.140 30.506 1.00 0.00 WT4 H ATOM 49851 H2 TIP3 4851 78.943 77.190 30.140 1.00 0.00 WT4 H ATOM 49852 OH2 TIP3 4855 43.777 86.716 7.772 1.00 0.00 WT4 O ATOM 49853 H1 TIP3 4855 43.043 86.251 7.372 1.00 0.00 WT4 H ATOM 49854 H2 TIP3 4855 43.790 87.567 7.334 1.00 0.00 WT4 H ATOM 49855 OH2 TIP3 4857 64.252 42.718 -3.961 1.00 0.00 WT4 O ATOM 49856 H1 TIP3 4857 63.895 43.373 -4.561 1.00 0.00 WT4 H ATOM 49857 H2 TIP3 4857 63.941 42.990 -3.097 1.00 0.00 WT4 H ATOM 49858 OH2 TIP3 4863 57.473 42.615 64.433 1.00 0.00 WT4 O ATOM 49859 H1 TIP3 4863 57.620 43.248 65.136 1.00 0.00 WT4 H ATOM 49860 H2 TIP3 4863 57.893 41.812 64.742 1.00 0.00 WT4 H ATOM 49861 OH2 TIP3 4872 68.579 32.397 29.580 1.00 0.00 WT4 O ATOM 49862 H1 TIP3 4872 67.952 33.114 29.679 1.00 0.00 WT4 H ATOM 49863 H2 TIP3 4872 68.037 31.613 29.495 1.00 0.00 WT4 H ATOM 49864 OH2 TIP3 4875 25.642 51.956 59.892 1.00 0.00 WT4 O ATOM 49865 H1 TIP3 4875 24.794 52.207 60.259 1.00 0.00 WT4 H ATOM 49866 H2 TIP3 4875 25.446 51.211 59.324 1.00 0.00 WT4 H ATOM 49867 OH2 TIP3 4877 24.841 59.276 -3.625 1.00 0.00 WT4 O ATOM 49868 H1 TIP3 4877 25.481 58.577 -3.490 1.00 0.00 WT4 H ATOM 49869 H2 TIP3 4877 25.251 60.053 -3.243 1.00 0.00 WT4 H ATOM 49870 OH2 TIP3 4893 57.797 28.827 57.368 1.00 0.00 WT4 O ATOM 49871 H1 TIP3 4893 58.038 28.601 58.267 1.00 0.00 WT4 H ATOM 49872 H2 TIP3 4893 57.590 29.760 57.403 1.00 0.00 WT4 H ATOM 49873 OH2 TIP3 4896 31.286 86.338 -11.517 1.00 0.00 WT4 O ATOM 49874 H1 TIP3 4896 31.849 86.747 -12.175 1.00 0.00 WT4 H ATOM 49875 H2 TIP3 4896 31.891 86.027 -10.844 1.00 0.00 WT4 H ATOM 49876 OH2 TIP3 4897 67.301 50.477 65.018 1.00 0.00 WT4 O ATOM 49877 H1 TIP3 4897 66.561 50.167 65.539 1.00 0.00 WT4 H ATOM 49878 H2 TIP3 4897 66.911 51.069 64.375 1.00 0.00 WT4 H ATOM 49879 OH2 TIP3 4898 72.080 88.078 64.629 1.00 0.00 WT4 O ATOM 49880 H1 TIP3 4898 72.738 88.315 65.283 1.00 0.00 WT4 H ATOM 49881 H2 TIP3 4898 72.391 87.248 64.266 1.00 0.00 WT4 H ATOM 49882 OH2 TIP3 4899 28.773 67.373 37.252 1.00 0.00 WT4 O ATOM 49883 H1 TIP3 4899 28.446 67.581 36.377 1.00 0.00 WT4 H ATOM 49884 H2 TIP3 4899 29.726 67.374 37.158 1.00 0.00 WT4 H ATOM 49885 OH2 TIP3 4914 55.316 75.095 45.818 1.00 0.00 WT4 O ATOM 49886 H1 TIP3 4914 55.562 75.378 44.937 1.00 0.00 WT4 H ATOM 49887 H2 TIP3 4914 54.578 74.501 45.682 1.00 0.00 WT4 H ATOM 49888 OH2 TIP3 4915 47.685 34.725 45.915 1.00 0.00 WT4 O ATOM 49889 H1 TIP3 4915 47.508 34.429 45.022 1.00 0.00 WT4 H ATOM 49890 H2 TIP3 4915 48.511 34.302 46.149 1.00 0.00 WT4 H ATOM 49891 OH2 TIP3 4916 23.505 69.934 54.466 1.00 0.00 WT4 O ATOM 49892 H1 TIP3 4916 22.561 70.044 54.579 1.00 0.00 WT4 H ATOM 49893 H2 TIP3 4916 23.811 70.788 54.160 1.00 0.00 WT4 H ATOM 49894 OH2 TIP3 4919 83.749 50.364 -0.646 1.00 0.00 WT4 O ATOM 49895 H1 TIP3 4919 84.479 50.945 -0.862 1.00 0.00 WT4 H ATOM 49896 H2 TIP3 4919 84.011 49.944 0.173 1.00 0.00 WT4 H ATOM 49897 OH2 TIP3 4922 85.146 90.236 62.293 1.00 0.00 WT4 O ATOM 49898 H1 TIP3 4922 85.430 89.525 61.718 1.00 0.00 WT4 H ATOM 49899 H2 TIP3 4922 84.279 89.966 62.598 1.00 0.00 WT4 H ATOM 49900 OH2 TIP3 4924 41.891 44.898 61.769 1.00 0.00 WT4 O ATOM 49901 H1 TIP3 4924 42.237 45.478 61.090 1.00 0.00 WT4 H ATOM 49902 H2 TIP3 4924 42.576 44.875 62.437 1.00 0.00 WT4 H ATOM 49903 OH2 TIP3 4934 75.574 94.440 -12.323 1.00 0.00 WT4 O ATOM 49904 H1 TIP3 4934 75.751 94.612 -11.398 1.00 0.00 WT4 H ATOM 49905 H2 TIP3 4934 76.418 94.564 -12.756 1.00 0.00 WT4 H ATOM 49906 OH2 TIP3 4935 31.470 94.044 47.821 1.00 0.00 WT4 O ATOM 49907 H1 TIP3 4935 31.933 93.393 47.292 1.00 0.00 WT4 H ATOM 49908 H2 TIP3 4935 32.148 94.668 48.080 1.00 0.00 WT4 H ATOM 49909 OH2 TIP3 4936 40.120 9.383 -10.901 1.00 0.00 WT4 O ATOM 49910 H1 TIP3 4936 39.451 10.035 -10.694 1.00 0.00 WT4 H ATOM 49911 H2 TIP3 4936 40.611 9.767 -11.629 1.00 0.00 WT4 H ATOM 49912 OH2 TIP3 4939 63.932 76.929 0.967 1.00 0.00 WT4 O ATOM 49913 H1 TIP3 4939 63.382 76.714 1.720 1.00 0.00 WT4 H ATOM 49914 H2 TIP3 4939 63.320 77.249 0.305 1.00 0.00 WT4 H ATOM 49915 OH2 TIP3 4942 57.545 94.124 61.198 1.00 0.00 WT4 O ATOM 49916 H1 TIP3 4942 57.188 94.698 60.521 1.00 0.00 WT4 H ATOM 49917 H2 TIP3 4942 58.260 93.658 60.764 1.00 0.00 WT4 H ATOM 49918 OH2 TIP3 4956 90.259 90.177 30.107 1.00 0.00 WT4 O ATOM 49919 H1 TIP3 4956 89.830 91.029 30.026 1.00 0.00 WT4 H ATOM 49920 H2 TIP3 4956 89.688 89.574 29.630 1.00 0.00 WT4 H ATOM 49921 OH2 TIP3 4957 21.829 77.234 17.576 1.00 0.00 WT4 O ATOM 49922 H1 TIP3 4957 21.651 77.450 16.660 1.00 0.00 WT4 H ATOM 49923 H2 TIP3 4957 21.014 76.847 17.894 1.00 0.00 WT4 H ATOM 49924 OH2 TIP3 4962 48.998 93.107 43.279 1.00 0.00 WT4 O ATOM 49925 H1 TIP3 4962 49.387 92.253 43.092 1.00 0.00 WT4 H ATOM 49926 H2 TIP3 4962 49.691 93.593 43.727 1.00 0.00 WT4 H ATOM 49927 OH2 TIP3 4963 41.870 50.787 4.309 1.00 0.00 WT4 O ATOM 49928 H1 TIP3 4963 42.639 50.504 4.805 1.00 0.00 WT4 H ATOM 49929 H2 TIP3 4963 41.145 50.718 4.931 1.00 0.00 WT4 H ATOM 49930 OH2 TIP3 4965 58.223 75.276 51.005 1.00 0.00 WT4 O ATOM 49931 H1 TIP3 4965 58.007 74.548 50.422 1.00 0.00 WT4 H ATOM 49932 H2 TIP3 4965 57.377 75.663 51.229 1.00 0.00 WT4 H ATOM 49933 OH2 TIP3 4978 89.111 86.842 53.534 1.00 0.00 WT4 O ATOM 49934 H1 TIP3 4978 89.645 86.499 52.818 1.00 0.00 WT4 H ATOM 49935 H2 TIP3 4978 89.720 86.925 54.269 1.00 0.00 WT4 H ATOM 49936 OH2 TIP3 4980 73.387 54.370 23.332 1.00 0.00 WT4 O ATOM 49937 H1 TIP3 4980 73.024 53.524 23.592 1.00 0.00 WT4 H ATOM 49938 H2 TIP3 4980 72.955 54.573 22.502 1.00 0.00 WT4 H ATOM 49939 OH2 TIP3 4981 72.533 69.778 51.682 1.00 0.00 WT4 O ATOM 49940 H1 TIP3 4981 72.449 70.688 51.966 1.00 0.00 WT4 H ATOM 49941 H2 TIP3 4981 71.775 69.632 51.116 1.00 0.00 WT4 H ATOM 49942 OH2 TIP3 4982 69.816 10.953 53.059 1.00 0.00 WT4 O ATOM 49943 H1 TIP3 4982 69.410 11.800 52.876 1.00 0.00 WT4 H ATOM 49944 H2 TIP3 4982 70.481 10.854 52.377 1.00 0.00 WT4 H ATOM 49945 OH2 TIP3 4983 52.376 83.888 19.412 1.00 0.00 WT4 O ATOM 49946 H1 TIP3 4983 51.755 83.665 18.718 1.00 0.00 WT4 H ATOM 49947 H2 TIP3 4983 53.159 84.183 18.948 1.00 0.00 WT4 H ATOM 49948 OH2 TIP3 4985 57.469 24.714 50.535 1.00 0.00 WT4 O ATOM 49949 H1 TIP3 4985 57.006 25.436 50.959 1.00 0.00 WT4 H ATOM 49950 H2 TIP3 4985 57.693 24.119 51.251 1.00 0.00 WT4 H ATOM 49951 OH2 TIP3 4996 67.964 75.175 57.294 1.00 0.00 WT4 O ATOM 49952 H1 TIP3 4996 68.860 75.512 57.328 1.00 0.00 WT4 H ATOM 49953 H2 TIP3 4996 67.412 75.955 57.356 1.00 0.00 WT4 H ATOM 49954 OH2 TIP3 4998 41.164 94.742 55.913 1.00 0.00 WT4 O ATOM 49955 H1 TIP3 4998 41.245 93.995 55.320 1.00 0.00 WT4 H ATOM 49956 H2 TIP3 4998 40.933 95.477 55.344 1.00 0.00 WT4 H ATOM 49957 OH2 TIP3 4999 77.168 68.549 -7.970 1.00 0.00 WT4 O ATOM 49958 H1 TIP3 4999 76.959 69.255 -7.359 1.00 0.00 WT4 H ATOM 49959 H2 TIP3 4999 76.318 68.196 -8.231 1.00 0.00 WT4 H ATOM 49960 OH2 TIP3 5000 85.519 72.937 -11.889 1.00 0.00 WT4 O ATOM 49961 H1 TIP3 5000 85.142 73.789 -12.113 1.00 0.00 WT4 H ATOM 49962 H2 TIP3 5000 85.858 73.051 -11.001 1.00 0.00 WT4 H ATOM 49963 OH2 TIP3 5001 22.045 37.895 58.574 1.00 0.00 WT4 O ATOM 49964 H1 TIP3 5001 21.358 38.502 58.299 1.00 0.00 WT4 H ATOM 49965 H2 TIP3 5001 22.804 38.453 58.745 1.00 0.00 WT4 H ATOM 49966 OH2 TIP3 5002 21.555 76.048 53.338 1.00 0.00 WT4 O ATOM 49967 H1 TIP3 5002 21.082 76.868 53.478 1.00 0.00 WT4 H ATOM 49968 H2 TIP3 5002 21.115 75.642 52.591 1.00 0.00 WT4 H ATOM 49969 OH2 TIP3 5004 77.595 71.745 -13.202 1.00 0.00 WT4 O ATOM 49970 H1 TIP3 5004 77.892 72.111 -14.035 1.00 0.00 WT4 H ATOM 49971 H2 TIP3 5004 78.313 71.917 -12.593 1.00 0.00 WT4 H ATOM 49972 OH2 TIP3 5005 34.734 10.834 -13.112 1.00 0.00 WT4 O ATOM 49973 H1 TIP3 5005 34.997 11.663 -13.511 1.00 0.00 WT4 H ATOM 49974 H2 TIP3 5005 35.479 10.582 -12.566 1.00 0.00 WT4 H ATOM 49975 OH2 TIP3 5019 25.275 72.368 37.877 1.00 0.00 WT4 O ATOM 49976 H1 TIP3 5019 25.999 71.928 37.432 1.00 0.00 WT4 H ATOM 49977 H2 TIP3 5019 24.513 71.817 37.699 1.00 0.00 WT4 H ATOM 49978 OH2 TIP3 5021 54.653 90.994 40.034 1.00 0.00 WT4 O ATOM 49979 H1 TIP3 5021 54.565 91.056 39.083 1.00 0.00 WT4 H ATOM 49980 H2 TIP3 5021 55.597 90.939 40.185 1.00 0.00 WT4 H ATOM 49981 OH2 TIP3 5023 32.991 10.071 8.957 1.00 0.00 WT4 O ATOM 49982 H1 TIP3 5023 33.258 10.929 8.629 1.00 0.00 WT4 H ATOM 49983 H2 TIP3 5023 33.742 9.503 8.786 1.00 0.00 WT4 H ATOM 49984 OH2 TIP3 5025 21.385 56.049 -5.870 1.00 0.00 WT4 O ATOM 49985 H1 TIP3 5025 21.332 56.916 -5.468 1.00 0.00 WT4 H ATOM 49986 H2 TIP3 5025 20.646 56.019 -6.477 1.00 0.00 WT4 H ATOM 49987 OH2 TIP3 5043 62.871 19.597 -13.578 1.00 0.00 WT4 O ATOM 49988 H1 TIP3 5043 62.603 20.496 -13.770 1.00 0.00 WT4 H ATOM 49989 H2 TIP3 5043 63.112 19.232 -14.430 1.00 0.00 WT4 H ATOM 49990 OH2 TIP3 5044 51.399 77.620 59.885 1.00 0.00 WT4 O ATOM 49991 H1 TIP3 5044 52.096 77.358 60.486 1.00 0.00 WT4 H ATOM 49992 H2 TIP3 5044 51.539 78.557 59.748 1.00 0.00 WT4 H ATOM 49993 OH2 TIP3 5049 61.686 49.174 46.746 1.00 0.00 WT4 O ATOM 49994 H1 TIP3 5049 61.651 49.012 45.803 1.00 0.00 WT4 H ATOM 49995 H2 TIP3 5049 60.771 49.281 47.005 1.00 0.00 WT4 H ATOM 49996 OH2 TIP3 5060 42.536 59.506 -0.036 1.00 0.00 WT4 O ATOM 49997 H1 TIP3 5060 43.437 59.187 -0.072 1.00 0.00 WT4 H ATOM 49998 H2 TIP3 5060 42.530 60.125 0.694 1.00 0.00 WT4 H ATOM 49999 OH2 TIP3 5061 47.277 86.422 46.482 1.00 0.00 WT4 O ATOM 50000 H1 TIP3 5061 47.546 85.799 47.157 1.00 0.00 WT4 H ATOM 50001 H2 TIP3 5061 46.621 86.972 46.910 1.00 0.00 WT4 H ATOM 50002 OH2 TIP3 5063 40.015 89.009 32.770 1.00 0.00 WT4 O ATOM 50003 H1 TIP3 5063 39.236 88.464 32.665 1.00 0.00 WT4 H ATOM 50004 H2 TIP3 5063 40.482 88.923 31.938 1.00 0.00 WT4 H ATOM 50005 OH2 TIP3 5085 60.121 7.299 33.959 1.00 0.00 WT4 O ATOM 50006 H1 TIP3 5085 61.034 7.513 34.154 1.00 0.00 WT4 H ATOM 50007 H2 TIP3 5085 59.874 6.667 34.634 1.00 0.00 WT4 H ATOM 50008 OH2 TIP3 5088 78.035 91.446 43.205 1.00 0.00 WT4 O ATOM 50009 H1 TIP3 5088 78.670 92.011 42.765 1.00 0.00 WT4 H ATOM 50010 H2 TIP3 5088 77.246 91.984 43.280 1.00 0.00 WT4 H ATOM 50011 OH2 TIP3 5133 88.930 16.558 -1.519 1.00 0.00 WT4 O ATOM 50012 H1 TIP3 5133 89.288 17.406 -1.255 1.00 0.00 WT4 H ATOM 50013 H2 TIP3 5133 87.995 16.720 -1.642 1.00 0.00 WT4 H ATOM 50014 OH2 TIP3 5134 34.393 6.652 62.453 1.00 0.00 WT4 O ATOM 50015 H1 TIP3 5134 34.885 6.615 63.273 1.00 0.00 WT4 H ATOM 50016 H2 TIP3 5134 33.594 7.131 62.674 1.00 0.00 WT4 H ATOM 50017 OH2 TIP3 5164 26.952 53.359 49.267 1.00 0.00 WT4 O ATOM 50018 H1 TIP3 5164 26.252 53.849 49.699 1.00 0.00 WT4 H ATOM 50019 H2 TIP3 5164 27.203 52.688 49.902 1.00 0.00 WT4 H ATOM 50020 OH2 TIP3 5166 47.930 59.984 -1.164 1.00 0.00 WT4 O ATOM 50021 H1 TIP3 5166 47.427 59.923 -0.351 1.00 0.00 WT4 H ATOM 50022 H2 TIP3 5166 48.839 60.072 -0.877 1.00 0.00 WT4 H ATOM 50023 OH2 TIP3 5193 42.960 28.643 24.137 1.00 0.00 WT4 O ATOM 50024 H1 TIP3 5193 42.991 27.808 23.670 1.00 0.00 WT4 H ATOM 50025 H2 TIP3 5193 42.313 28.506 24.830 1.00 0.00 WT4 H ATOM 50026 OH2 TIP3 5234 66.355 27.875 -14.279 1.00 0.00 WT4 O ATOM 50027 H1 TIP3 5234 65.900 27.057 -14.479 1.00 0.00 WT4 H ATOM 50028 H2 TIP3 5234 65.986 28.156 -13.442 1.00 0.00 WT4 H ATOM 50029 OH2 TIP3 5251 58.177 33.874 -13.639 1.00 0.00 WT4 O ATOM 50030 H1 TIP3 5251 58.371 34.811 -13.651 1.00 0.00 WT4 H ATOM 50031 H2 TIP3 5251 57.436 33.774 -14.237 1.00 0.00 WT4 H ATOM 50032 OH2 TIP3 5259 53.735 63.147 44.446 1.00 0.00 WT4 O ATOM 50033 H1 TIP3 5259 53.927 62.215 44.552 1.00 0.00 WT4 H ATOM 50034 H2 TIP3 5259 53.229 63.197 43.634 1.00 0.00 WT4 H ATOM 50035 OH2 TIP3 5260 50.216 89.003 8.633 1.00 0.00 WT4 O ATOM 50036 H1 TIP3 5260 51.054 88.976 9.095 1.00 0.00 WT4 H ATOM 50037 H2 TIP3 5260 49.565 89.134 9.322 1.00 0.00 WT4 H ATOM 50038 OH2 TIP3 5271 70.747 76.125 26.543 1.00 0.00 WT4 O ATOM 50039 H1 TIP3 5271 71.191 75.503 25.966 1.00 0.00 WT4 H ATOM 50040 H2 TIP3 5271 69.924 75.694 26.773 1.00 0.00 WT4 H ATOM 50041 OH2 TIP3 5272 32.876 69.910 -4.683 1.00 0.00 WT4 O ATOM 50042 H1 TIP3 5272 32.504 69.607 -5.511 1.00 0.00 WT4 H ATOM 50043 H2 TIP3 5272 33.350 70.710 -4.912 1.00 0.00 WT4 H ATOM 50044 OH2 TIP3 5296 26.901 7.727 63.097 1.00 0.00 WT4 O ATOM 50045 H1 TIP3 5296 25.986 7.809 62.830 1.00 0.00 WT4 H ATOM 50046 H2 TIP3 5296 27.344 8.458 62.664 1.00 0.00 WT4 H ATOM 50047 OH2 TIP3 5304 35.812 51.339 -9.730 1.00 0.00 WT4 O ATOM 50048 H1 TIP3 5304 35.659 50.405 -9.869 1.00 0.00 WT4 H ATOM 50049 H2 TIP3 5304 35.459 51.513 -8.857 1.00 0.00 WT4 H ATOM 50050 OH2 TIP3 5317 72.612 76.798 28.312 1.00 0.00 WT4 O ATOM 50051 H1 TIP3 5317 71.998 76.428 27.677 1.00 0.00 WT4 H ATOM 50052 H2 TIP3 5317 72.112 76.849 29.127 1.00 0.00 WT4 H ATOM 50053 OH2 TIP3 5318 79.230 71.492 58.401 1.00 0.00 WT4 O ATOM 50054 H1 TIP3 5318 79.960 72.078 58.602 1.00 0.00 WT4 H ATOM 50055 H2 TIP3 5318 79.302 71.334 57.460 1.00 0.00 WT4 H ATOM 50056 OH2 TIP3 5319 61.855 66.479 56.505 1.00 0.00 WT4 O ATOM 50057 H1 TIP3 5319 62.571 65.846 56.550 1.00 0.00 WT4 H ATOM 50058 H2 TIP3 5319 61.397 66.267 55.692 1.00 0.00 WT4 H ATOM 50059 OH2 TIP3 5320 78.046 81.213 44.220 1.00 0.00 WT4 O ATOM 50060 H1 TIP3 5320 77.728 80.339 43.995 1.00 0.00 WT4 H ATOM 50061 H2 TIP3 5320 78.985 81.098 44.366 1.00 0.00 WT4 H ATOM 50062 OH2 TIP3 5332 57.060 46.889 43.326 1.00 0.00 WT4 O ATOM 50063 H1 TIP3 5332 56.572 47.614 43.715 1.00 0.00 WT4 H ATOM 50064 H2 TIP3 5332 56.563 46.658 42.541 1.00 0.00 WT4 H ATOM 50065 OH2 TIP3 5341 53.869 92.150 42.355 1.00 0.00 WT4 O ATOM 50066 H1 TIP3 5341 52.984 92.512 42.324 1.00 0.00 WT4 H ATOM 50067 H2 TIP3 5341 54.006 91.777 41.484 1.00 0.00 WT4 H ATOM 50068 OH2 TIP3 5357 66.549 78.714 -12.032 1.00 0.00 WT4 O ATOM 50069 H1 TIP3 5357 65.599 78.729 -12.152 1.00 0.00 WT4 H ATOM 50070 H2 TIP3 5357 66.875 78.189 -12.763 1.00 0.00 WT4 H ATOM 50071 OH2 TIP3 5358 31.556 69.269 -18.070 1.00 0.00 WT4 O ATOM 50072 H1 TIP3 5358 31.429 69.023 -18.986 1.00 0.00 WT4 H ATOM 50073 H2 TIP3 5358 30.693 69.561 -17.778 1.00 0.00 WT4 H ATOM 50074 OH2 TIP3 5359 32.066 69.177 16.023 1.00 0.00 WT4 O ATOM 50075 H1 TIP3 5359 32.527 68.339 16.001 1.00 0.00 WT4 H ATOM 50076 H2 TIP3 5359 32.641 69.754 16.527 1.00 0.00 WT4 H ATOM 50077 OH2 TIP3 5360 58.222 62.117 48.370 1.00 0.00 WT4 O ATOM 50078 H1 TIP3 5360 58.052 61.597 47.584 1.00 0.00 WT4 H ATOM 50079 H2 TIP3 5360 58.799 61.567 48.901 1.00 0.00 WT4 H ATOM 50080 OH2 TIP3 5363 61.870 51.907 56.092 1.00 0.00 WT4 O ATOM 50081 H1 TIP3 5363 61.547 51.011 56.003 1.00 0.00 WT4 H ATOM 50082 H2 TIP3 5363 62.380 52.059 55.296 1.00 0.00 WT4 H ATOM 50083 OH2 TIP3 5364 87.965 12.259 35.388 1.00 0.00 WT4 O ATOM 50084 H1 TIP3 5364 87.320 12.369 36.087 1.00 0.00 WT4 H ATOM 50085 H2 TIP3 5364 88.158 13.151 35.098 1.00 0.00 WT4 H ATOM 50086 OH2 TIP3 5375 44.243 77.386 -2.240 1.00 0.00 WT4 O ATOM 50087 H1 TIP3 5375 43.708 77.448 -3.031 1.00 0.00 WT4 H ATOM 50088 H2 TIP3 5375 45.138 77.282 -2.563 1.00 0.00 WT4 H ATOM 50089 OH2 TIP3 5377 35.731 58.889 35.998 1.00 0.00 WT4 O ATOM 50090 H1 TIP3 5377 36.589 59.307 35.934 1.00 0.00 WT4 H ATOM 50091 H2 TIP3 5377 35.190 59.350 35.357 1.00 0.00 WT4 H ATOM 50092 OH2 TIP3 5378 27.578 63.409 -18.728 1.00 0.00 WT4 O ATOM 50093 H1 TIP3 5378 27.298 62.892 -17.973 1.00 0.00 WT4 H ATOM 50094 H2 TIP3 5378 27.938 64.211 -18.350 1.00 0.00 WT4 H ATOM 50095 OH2 TIP3 5379 21.315 24.554 54.644 1.00 0.00 WT4 O ATOM 50096 H1 TIP3 5379 22.032 25.115 54.349 1.00 0.00 WT4 H ATOM 50097 H2 TIP3 5379 21.170 24.810 55.555 1.00 0.00 WT4 H ATOM 50098 OH2 TIP3 5380 81.355 41.335 24.776 1.00 0.00 WT4 O ATOM 50099 H1 TIP3 5380 81.766 40.717 24.172 1.00 0.00 WT4 H ATOM 50100 H2 TIP3 5380 81.574 42.198 24.423 1.00 0.00 WT4 H ATOM 50101 OH2 TIP3 5381 33.596 44.543 64.298 1.00 0.00 WT4 O ATOM 50102 H1 TIP3 5381 33.754 43.955 65.037 1.00 0.00 WT4 H ATOM 50103 H2 TIP3 5381 33.440 43.959 63.556 1.00 0.00 WT4 H ATOM 50104 OH2 TIP3 5382 81.026 83.746 1.675 1.00 0.00 WT4 O ATOM 50105 H1 TIP3 5382 81.652 84.370 2.043 1.00 0.00 WT4 H ATOM 50106 H2 TIP3 5382 80.177 84.181 1.759 1.00 0.00 WT4 H ATOM 50107 OH2 TIP3 5383 78.190 44.310 37.652 1.00 0.00 WT4 O ATOM 50108 H1 TIP3 5383 78.755 45.032 37.377 1.00 0.00 WT4 H ATOM 50109 H2 TIP3 5383 78.764 43.543 37.654 1.00 0.00 WT4 H ATOM 50110 OH2 TIP3 5384 27.787 44.905 -13.324 1.00 0.00 WT4 O ATOM 50111 H1 TIP3 5384 26.868 44.641 -13.284 1.00 0.00 WT4 H ATOM 50112 H2 TIP3 5384 28.172 44.561 -12.519 1.00 0.00 WT4 H ATOM 50113 OH2 TIP3 5385 21.129 13.988 48.149 1.00 0.00 WT4 O ATOM 50114 H1 TIP3 5385 21.634 13.983 47.336 1.00 0.00 WT4 H ATOM 50115 H2 TIP3 5385 21.669 14.486 48.763 1.00 0.00 WT4 H ATOM 50116 OH2 TIP3 5393 49.283 29.318 -8.123 1.00 0.00 WT4 O ATOM 50117 H1 TIP3 5393 48.489 29.235 -7.595 1.00 0.00 WT4 H ATOM 50118 H2 TIP3 5393 49.999 29.170 -7.506 1.00 0.00 WT4 H ATOM 50119 OH2 TIP3 5396 56.298 93.715 41.825 1.00 0.00 WT4 O ATOM 50120 H1 TIP3 5396 55.455 93.272 41.728 1.00 0.00 WT4 H ATOM 50121 H2 TIP3 5396 56.864 93.298 41.176 1.00 0.00 WT4 H ATOM 50122 OH2 TIP3 5399 64.277 92.774 -3.667 1.00 0.00 WT4 O ATOM 50123 H1 TIP3 5399 63.655 93.434 -3.360 1.00 0.00 WT4 H ATOM 50124 H2 TIP3 5399 64.062 91.990 -3.162 1.00 0.00 WT4 H ATOM 50125 OH2 TIP3 5400 68.143 36.029 11.363 1.00 0.00 WT4 O ATOM 50126 H1 TIP3 5400 67.655 35.319 11.780 1.00 0.00 WT4 H ATOM 50127 H2 TIP3 5400 67.871 36.816 11.835 1.00 0.00 WT4 H ATOM 50128 OH2 TIP3 5402 53.580 8.117 19.904 1.00 0.00 WT4 O ATOM 50129 H1 TIP3 5402 52.887 8.042 19.248 1.00 0.00 WT4 H ATOM 50130 H2 TIP3 5402 54.317 8.506 19.432 1.00 0.00 WT4 H ATOM 50131 OH2 TIP3 5404 62.547 80.185 62.079 1.00 0.00 WT4 O ATOM 50132 H1 TIP3 5404 62.521 79.576 62.817 1.00 0.00 WT4 H ATOM 50133 H2 TIP3 5404 63.305 80.742 62.253 1.00 0.00 WT4 H ATOM 50134 OH2 TIP3 5418 61.612 90.048 16.992 1.00 0.00 WT4 O ATOM 50135 H1 TIP3 5418 61.640 90.243 17.928 1.00 0.00 WT4 H ATOM 50136 H2 TIP3 5418 62.530 89.962 16.737 1.00 0.00 WT4 H ATOM 50137 OH2 TIP3 5419 75.722 81.983 -0.534 1.00 0.00 WT4 O ATOM 50138 H1 TIP3 5419 75.539 81.044 -0.504 1.00 0.00 WT4 H ATOM 50139 H2 TIP3 5419 75.175 82.356 0.157 1.00 0.00 WT4 H ATOM 50140 OH2 TIP3 5420 77.541 83.907 29.561 1.00 0.00 WT4 O ATOM 50141 H1 TIP3 5420 76.912 83.789 28.849 1.00 0.00 WT4 H ATOM 50142 H2 TIP3 5420 78.099 84.629 29.270 1.00 0.00 WT4 H ATOM 50143 OH2 TIP3 5421 61.885 58.750 16.673 1.00 0.00 WT4 O ATOM 50144 H1 TIP3 5421 61.053 59.174 16.885 1.00 0.00 WT4 H ATOM 50145 H2 TIP3 5421 61.887 57.950 17.199 1.00 0.00 WT4 H ATOM 50146 OH2 TIP3 5422 35.888 21.213 50.812 1.00 0.00 WT4 O ATOM 50147 H1 TIP3 5422 35.739 20.270 50.744 1.00 0.00 WT4 H ATOM 50148 H2 TIP3 5422 35.250 21.511 51.461 1.00 0.00 WT4 H ATOM 50149 OH2 TIP3 5426 49.918 93.805 51.239 1.00 0.00 WT4 O ATOM 50150 H1 TIP3 5426 49.980 92.929 50.857 1.00 0.00 WT4 H ATOM 50151 H2 TIP3 5426 50.398 94.367 50.631 1.00 0.00 WT4 H ATOM 50152 OH2 TIP3 5430 24.313 81.785 4.817 1.00 0.00 WT4 O ATOM 50153 H1 TIP3 5430 23.536 81.336 5.149 1.00 0.00 WT4 H ATOM 50154 H2 TIP3 5430 25.047 81.331 5.230 1.00 0.00 WT4 H ATOM 50155 OH2 TIP3 5434 36.635 2.870 38.168 1.00 0.00 WT4 O ATOM 50156 H1 TIP3 5434 36.669 2.557 39.072 1.00 0.00 WT4 H ATOM 50157 H2 TIP3 5434 37.234 3.616 38.149 1.00 0.00 WT4 H ATOM 50158 OH2 TIP3 5440 33.017 65.000 54.112 1.00 0.00 WT4 O ATOM 50159 H1 TIP3 5440 32.204 65.286 54.529 1.00 0.00 WT4 H ATOM 50160 H2 TIP3 5440 33.024 65.450 53.267 1.00 0.00 WT4 H ATOM 50161 OH2 TIP3 5442 66.982 84.499 30.654 1.00 0.00 WT4 O ATOM 50162 H1 TIP3 5442 66.051 84.420 30.447 1.00 0.00 WT4 H ATOM 50163 H2 TIP3 5442 67.136 85.442 30.710 1.00 0.00 WT4 H ATOM 50164 OH2 TIP3 5443 43.071 80.261 -11.507 1.00 0.00 WT4 O ATOM 50165 H1 TIP3 5443 42.839 80.856 -10.793 1.00 0.00 WT4 H ATOM 50166 H2 TIP3 5443 42.396 79.584 -11.484 1.00 0.00 WT4 H ATOM 50167 OH2 TIP3 5444 37.183 6.023 45.437 1.00 0.00 WT4 O ATOM 50168 H1 TIP3 5444 37.262 6.196 44.499 1.00 0.00 WT4 H ATOM 50169 H2 TIP3 5444 36.495 5.361 45.503 1.00 0.00 WT4 H ATOM 50170 OH2 TIP3 5446 74.281 84.049 43.821 1.00 0.00 WT4 O ATOM 50171 H1 TIP3 5446 75.122 84.248 44.232 1.00 0.00 WT4 H ATOM 50172 H2 TIP3 5446 73.866 84.903 43.697 1.00 0.00 WT4 H ATOM 50173 OH2 TIP3 5460 69.993 66.782 -5.144 1.00 0.00 WT4 O ATOM 50174 H1 TIP3 5460 69.614 66.428 -5.948 1.00 0.00 WT4 H ATOM 50175 H2 TIP3 5460 69.246 66.892 -4.555 1.00 0.00 WT4 H ATOM 50176 OH2 TIP3 5461 26.589 52.749 40.554 1.00 0.00 WT4 O ATOM 50177 H1 TIP3 5461 27.407 52.575 41.020 1.00 0.00 WT4 H ATOM 50178 H2 TIP3 5461 26.866 53.119 39.715 1.00 0.00 WT4 H ATOM 50179 OH2 TIP3 5462 49.432 60.551 58.946 1.00 0.00 WT4 O ATOM 50180 H1 TIP3 5462 48.501 60.639 59.151 1.00 0.00 WT4 H ATOM 50181 H2 TIP3 5462 49.451 60.068 58.121 1.00 0.00 WT4 H ATOM 50182 OH2 TIP3 5463 90.260 56.021 10.207 1.00 0.00 WT4 O ATOM 50183 H1 TIP3 5463 90.629 56.266 9.359 1.00 0.00 WT4 H ATOM 50184 H2 TIP3 5463 90.073 56.855 10.638 1.00 0.00 WT4 H ATOM 50185 OH2 TIP3 5464 70.196 79.836 9.576 1.00 0.00 WT4 O ATOM 50186 H1 TIP3 5464 69.353 79.384 9.609 1.00 0.00 WT4 H ATOM 50187 H2 TIP3 5464 70.390 79.914 8.641 1.00 0.00 WT4 H ATOM 50188 OH2 TIP3 5466 35.842 6.158 36.974 1.00 0.00 WT4 O ATOM 50189 H1 TIP3 5466 35.303 6.934 36.820 1.00 0.00 WT4 H ATOM 50190 H2 TIP3 5466 35.385 5.453 36.517 1.00 0.00 WT4 H ATOM 50191 OH2 TIP3 5481 28.169 64.206 49.734 1.00 0.00 WT4 O ATOM 50192 H1 TIP3 5481 28.654 65.030 49.693 1.00 0.00 WT4 H ATOM 50193 H2 TIP3 5481 28.555 63.667 49.044 1.00 0.00 WT4 H ATOM 50194 OH2 TIP3 5482 28.632 91.735 46.500 1.00 0.00 WT4 O ATOM 50195 H1 TIP3 5482 28.474 92.598 46.117 1.00 0.00 WT4 H ATOM 50196 H2 TIP3 5482 29.287 91.334 45.928 1.00 0.00 WT4 H ATOM 50197 OH2 TIP3 5484 39.703 55.497 38.777 1.00 0.00 WT4 O ATOM 50198 H1 TIP3 5484 38.994 56.057 39.094 1.00 0.00 WT4 H ATOM 50199 H2 TIP3 5484 40.313 56.100 38.352 1.00 0.00 WT4 H ATOM 50200 OH2 TIP3 5487 72.852 82.493 5.319 1.00 0.00 WT4 O ATOM 50201 H1 TIP3 5487 72.454 83.362 5.267 1.00 0.00 WT4 H ATOM 50202 H2 TIP3 5487 73.088 82.391 6.241 1.00 0.00 WT4 H ATOM 50203 OH2 TIP3 5504 86.569 48.382 -3.706 1.00 0.00 WT4 O ATOM 50204 H1 TIP3 5504 86.774 48.395 -2.771 1.00 0.00 WT4 H ATOM 50205 H2 TIP3 5504 85.613 48.373 -3.742 1.00 0.00 WT4 H ATOM 50206 OH2 TIP3 5526 82.840 79.590 49.597 1.00 0.00 WT4 O ATOM 50207 H1 TIP3 5526 83.174 80.409 49.230 1.00 0.00 WT4 H ATOM 50208 H2 TIP3 5526 82.513 79.104 48.841 1.00 0.00 WT4 H ATOM 50209 OH2 TIP3 5528 72.374 67.347 -19.333 1.00 0.00 WT4 O ATOM 50210 H1 TIP3 5528 73.181 67.686 -18.946 1.00 0.00 WT4 H ATOM 50211 H2 TIP3 5528 72.496 66.397 -19.348 1.00 0.00 WT4 H ATOM 50212 OH2 TIP3 5553 66.424 89.602 66.932 1.00 0.00 WT4 O ATOM 50213 H1 TIP3 5553 66.521 90.551 67.005 1.00 0.00 WT4 H ATOM 50214 H2 TIP3 5553 67.186 89.321 66.426 1.00 0.00 WT4 H ATOM 50215 OH2 TIP3 5650 36.057 60.175 51.365 1.00 0.00 WT4 O ATOM 50216 H1 TIP3 5650 36.078 60.838 50.675 1.00 0.00 WT4 H ATOM 50217 H2 TIP3 5650 36.963 59.876 51.438 1.00 0.00 WT4 H ATOM 50218 OH2 TIP3 5654 73.573 65.492 61.590 1.00 0.00 WT4 O ATOM 50219 H1 TIP3 5654 72.971 66.236 61.626 1.00 0.00 WT4 H ATOM 50220 H2 TIP3 5654 73.852 65.454 60.675 1.00 0.00 WT4 H ATOM 50221 OH2 TIP3 5669 79.524 88.246 -10.607 1.00 0.00 WT4 O ATOM 50222 H1 TIP3 5669 80.225 88.160 -9.961 1.00 0.00 WT4 H ATOM 50223 H2 TIP3 5669 79.975 88.256 -11.451 1.00 0.00 WT4 H ATOM 50224 OH2 TIP3 5676 85.868 33.546 64.119 1.00 0.00 WT4 O ATOM 50225 H1 TIP3 5676 86.216 32.676 63.922 1.00 0.00 WT4 H ATOM 50226 H2 TIP3 5676 86.109 34.078 63.360 1.00 0.00 WT4 H ATOM 50227 OH2 TIP3 5678 76.724 64.488 26.587 1.00 0.00 WT4 O ATOM 50228 H1 TIP3 5678 76.190 64.267 27.350 1.00 0.00 WT4 H ATOM 50229 H2 TIP3 5678 76.101 64.524 25.860 1.00 0.00 WT4 H ATOM 50230 OH2 TIP3 5679 53.384 30.344 41.435 1.00 0.00 WT4 O ATOM 50231 H1 TIP3 5679 52.616 30.850 41.172 1.00 0.00 WT4 H ATOM 50232 H2 TIP3 5679 53.037 29.663 42.012 1.00 0.00 WT4 H ATOM 50233 OH2 TIP3 5690 40.528 89.267 -4.916 1.00 0.00 WT4 O ATOM 50234 H1 TIP3 5690 40.832 88.695 -4.211 1.00 0.00 WT4 H ATOM 50235 H2 TIP3 5690 40.719 90.152 -4.605 1.00 0.00 WT4 H ATOM 50236 OH2 TIP3 5692 86.691 83.654 48.853 1.00 0.00 WT4 O ATOM 50237 H1 TIP3 5692 87.562 83.385 48.561 1.00 0.00 WT4 H ATOM 50238 H2 TIP3 5692 86.515 84.462 48.371 1.00 0.00 WT4 H ATOM 50239 OH2 TIP3 5697 71.936 3.517 4.832 1.00 0.00 WT4 O ATOM 50240 H1 TIP3 5697 71.031 3.752 5.040 1.00 0.00 WT4 H ATOM 50241 H2 TIP3 5697 72.444 3.837 5.578 1.00 0.00 WT4 H ATOM 50242 OH2 TIP3 5710 47.836 73.261 46.865 1.00 0.00 WT4 O ATOM 50243 H1 TIP3 5710 47.747 72.366 46.536 1.00 0.00 WT4 H ATOM 50244 H2 TIP3 5710 48.712 73.288 47.251 1.00 0.00 WT4 H ATOM 50245 OH2 TIP3 5711 42.072 13.286 28.047 1.00 0.00 WT4 O ATOM 50246 H1 TIP3 5711 41.176 12.954 28.097 1.00 0.00 WT4 H ATOM 50247 H2 TIP3 5711 41.975 14.238 28.033 1.00 0.00 WT4 H ATOM 50248 OH2 TIP3 5713 49.309 87.954 -7.628 1.00 0.00 WT4 O ATOM 50249 H1 TIP3 5713 49.279 87.048 -7.319 1.00 0.00 WT4 H ATOM 50250 H2 TIP3 5713 50.012 88.357 -7.119 1.00 0.00 WT4 H ATOM 50251 OH2 TIP3 5714 68.334 4.200 -15.434 1.00 0.00 WT4 O ATOM 50252 H1 TIP3 5714 67.913 4.835 -16.013 1.00 0.00 WT4 H ATOM 50253 H2 TIP3 5714 67.654 3.961 -14.804 1.00 0.00 WT4 H ATOM 50254 OH2 TIP3 5715 86.300 85.144 31.127 1.00 0.00 WT4 O ATOM 50255 H1 TIP3 5715 86.994 84.600 30.754 1.00 0.00 WT4 H ATOM 50256 H2 TIP3 5715 85.548 84.556 31.202 1.00 0.00 WT4 H ATOM 50257 OH2 TIP3 5720 21.387 3.242 -1.633 1.00 0.00 WT4 O ATOM 50258 H1 TIP3 5720 21.517 4.046 -1.130 1.00 0.00 WT4 H ATOM 50259 H2 TIP3 5720 22.181 2.730 -1.477 1.00 0.00 WT4 H ATOM 50260 OH2 TIP3 5734 73.389 27.928 53.959 1.00 0.00 WT4 O ATOM 50261 H1 TIP3 5734 73.689 27.814 53.057 1.00 0.00 WT4 H ATOM 50262 H2 TIP3 5734 72.456 28.127 53.879 1.00 0.00 WT4 H ATOM 50263 OH2 TIP3 5736 36.335 68.427 -8.134 1.00 0.00 WT4 O ATOM 50264 H1 TIP3 5736 35.807 67.957 -8.779 1.00 0.00 WT4 H ATOM 50265 H2 TIP3 5736 36.587 67.758 -7.497 1.00 0.00 WT4 H ATOM 50266 OH2 TIP3 5738 23.841 72.032 -15.933 1.00 0.00 WT4 O ATOM 50267 H1 TIP3 5738 23.991 71.754 -15.030 1.00 0.00 WT4 H ATOM 50268 H2 TIP3 5738 23.566 72.946 -15.861 1.00 0.00 WT4 H ATOM 50269 OH2 TIP3 5755 76.314 54.376 50.690 1.00 0.00 WT4 O ATOM 50270 H1 TIP3 5755 77.199 54.697 50.517 1.00 0.00 WT4 H ATOM 50271 H2 TIP3 5755 76.073 53.896 49.898 1.00 0.00 WT4 H ATOM 50272 OH2 TIP3 5756 38.825 86.268 35.910 1.00 0.00 WT4 O ATOM 50273 H1 TIP3 5756 38.640 86.561 36.802 1.00 0.00 WT4 H ATOM 50274 H2 TIP3 5756 39.313 86.992 35.516 1.00 0.00 WT4 H ATOM 50275 OH2 TIP3 5758 52.847 64.744 -18.951 1.00 0.00 WT4 O ATOM 50276 H1 TIP3 5758 53.124 64.732 -18.035 1.00 0.00 WT4 H ATOM 50277 H2 TIP3 5758 52.144 64.096 -18.998 1.00 0.00 WT4 H ATOM 50278 OH2 TIP3 5762 49.865 44.179 22.736 1.00 0.00 WT4 O ATOM 50279 H1 TIP3 5762 50.749 44.489 22.539 1.00 0.00 WT4 H ATOM 50280 H2 TIP3 5762 49.506 43.922 21.887 1.00 0.00 WT4 H ATOM 50281 OH2 TIP3 5764 63.931 9.330 -12.984 1.00 0.00 WT4 O ATOM 50282 H1 TIP3 5764 64.615 9.131 -12.345 1.00 0.00 WT4 H ATOM 50283 H2 TIP3 5764 63.184 9.613 -12.457 1.00 0.00 WT4 H ATOM 50284 OH2 TIP3 5767 75.106 73.989 9.063 1.00 0.00 WT4 O ATOM 50285 H1 TIP3 5767 74.176 73.941 8.842 1.00 0.00 WT4 H ATOM 50286 H2 TIP3 5767 75.547 73.538 8.344 1.00 0.00 WT4 H ATOM 50287 OH2 TIP3 5768 25.055 37.560 -1.863 1.00 0.00 WT4 O ATOM 50288 H1 TIP3 5768 25.555 37.607 -2.678 1.00 0.00 WT4 H ATOM 50289 H2 TIP3 5768 25.701 37.323 -1.198 1.00 0.00 WT4 H ATOM 50290 OH2 TIP3 5777 70.387 49.718 55.875 1.00 0.00 WT4 O ATOM 50291 H1 TIP3 5777 69.468 49.926 55.711 1.00 0.00 WT4 H ATOM 50292 H2 TIP3 5777 70.415 48.761 55.910 1.00 0.00 WT4 H ATOM 50293 OH2 TIP3 5778 25.679 75.867 41.511 1.00 0.00 WT4 O ATOM 50294 H1 TIP3 5778 25.392 74.985 41.276 1.00 0.00 WT4 H ATOM 50295 H2 TIP3 5778 25.598 75.900 42.464 1.00 0.00 WT4 H ATOM 50296 OH2 TIP3 5779 74.074 72.336 5.063 1.00 0.00 WT4 O ATOM 50297 H1 TIP3 5779 73.117 72.347 5.066 1.00 0.00 WT4 H ATOM 50298 H2 TIP3 5779 74.318 72.875 4.310 1.00 0.00 WT4 H ATOM 50299 OH2 TIP3 5780 37.382 32.491 4.962 1.00 0.00 WT4 O ATOM 50300 H1 TIP3 5780 37.778 33.210 5.454 1.00 0.00 WT4 H ATOM 50301 H2 TIP3 5780 36.707 32.144 5.546 1.00 0.00 WT4 H ATOM 50302 OH2 TIP3 5795 46.097 64.226 64.566 1.00 0.00 WT4 O ATOM 50303 H1 TIP3 5795 45.911 63.292 64.662 1.00 0.00 WT4 H ATOM 50304 H2 TIP3 5795 47.052 64.284 64.580 1.00 0.00 WT4 H ATOM 50305 OH2 TIP3 5797 72.124 76.424 35.742 1.00 0.00 WT4 O ATOM 50306 H1 TIP3 5797 72.584 76.542 36.573 1.00 0.00 WT4 H ATOM 50307 H2 TIP3 5797 71.975 75.481 35.681 1.00 0.00 WT4 H ATOM 50308 OH2 TIP3 5798 85.636 84.030 21.713 1.00 0.00 WT4 O ATOM 50309 H1 TIP3 5798 85.816 83.919 22.647 1.00 0.00 WT4 H ATOM 50310 H2 TIP3 5798 86.239 84.718 21.432 1.00 0.00 WT4 H ATOM 50311 OH2 TIP3 5799 78.360 4.424 6.645 1.00 0.00 WT4 O ATOM 50312 H1 TIP3 5799 78.712 3.974 5.877 1.00 0.00 WT4 H ATOM 50313 H2 TIP3 5799 77.471 4.080 6.739 1.00 0.00 WT4 H ATOM 50314 OH2 TIP3 5800 89.544 51.216 52.191 1.00 0.00 WT4 O ATOM 50315 H1 TIP3 5800 89.134 50.573 51.612 1.00 0.00 WT4 H ATOM 50316 H2 TIP3 5800 89.800 51.933 51.611 1.00 0.00 WT4 H ATOM 50317 OH2 TIP3 5801 87.369 67.945 -7.247 1.00 0.00 WT4 O ATOM 50318 H1 TIP3 5801 86.617 68.074 -6.670 1.00 0.00 WT4 H ATOM 50319 H2 TIP3 5801 86.986 67.692 -8.087 1.00 0.00 WT4 H ATOM 50320 OH2 TIP3 5802 81.802 67.053 57.542 1.00 0.00 WT4 O ATOM 50321 H1 TIP3 5802 82.085 66.166 57.766 1.00 0.00 WT4 H ATOM 50322 H2 TIP3 5802 82.615 67.554 57.472 1.00 0.00 WT4 H ATOM 50323 OH2 TIP3 5818 26.632 8.110 4.523 1.00 0.00 WT4 O ATOM 50324 H1 TIP3 5818 27.035 7.246 4.448 1.00 0.00 WT4 H ATOM 50325 H2 TIP3 5818 26.849 8.549 3.700 1.00 0.00 WT4 H ATOM 50326 OH2 TIP3 5819 81.333 3.365 52.288 1.00 0.00 WT4 O ATOM 50327 H1 TIP3 5819 81.565 3.962 53.000 1.00 0.00 WT4 H ATOM 50328 H2 TIP3 5819 81.956 3.570 51.591 1.00 0.00 WT4 H ATOM 50329 OH2 TIP3 5820 55.843 89.478 57.904 1.00 0.00 WT4 O ATOM 50330 H1 TIP3 5820 55.874 90.402 58.152 1.00 0.00 WT4 H ATOM 50331 H2 TIP3 5820 55.363 89.468 57.076 1.00 0.00 WT4 H ATOM 50332 OH2 TIP3 5821 88.747 88.767 28.258 1.00 0.00 WT4 O ATOM 50333 H1 TIP3 5821 88.642 87.817 28.315 1.00 0.00 WT4 H ATOM 50334 H2 TIP3 5821 88.637 88.965 27.328 1.00 0.00 WT4 H ATOM 50335 OH2 TIP3 5823 85.744 71.403 51.501 1.00 0.00 WT4 O ATOM 50336 H1 TIP3 5823 85.231 70.975 52.187 1.00 0.00 WT4 H ATOM 50337 H2 TIP3 5823 85.253 71.239 50.696 1.00 0.00 WT4 H ATOM 50338 OH2 TIP3 5828 52.134 77.016 -0.851 1.00 0.00 WT4 O ATOM 50339 H1 TIP3 5828 52.096 76.092 -0.603 1.00 0.00 WT4 H ATOM 50340 H2 TIP3 5828 52.229 77.483 -0.021 1.00 0.00 WT4 H ATOM 50341 OH2 TIP3 5836 29.204 5.588 58.035 1.00 0.00 WT4 O ATOM 50342 H1 TIP3 5836 28.991 6.104 57.258 1.00 0.00 WT4 H ATOM 50343 H2 TIP3 5836 30.157 5.640 58.105 1.00 0.00 WT4 H ATOM 50344 OH2 TIP3 5837 54.294 92.108 54.384 1.00 0.00 WT4 O ATOM 50345 H1 TIP3 5837 54.148 91.712 53.525 1.00 0.00 WT4 H ATOM 50346 H2 TIP3 5837 54.920 91.526 54.814 1.00 0.00 WT4 H ATOM 50347 OH2 TIP3 5839 89.349 15.650 52.469 1.00 0.00 WT4 O ATOM 50348 H1 TIP3 5839 89.421 15.296 53.356 1.00 0.00 WT4 H ATOM 50349 H2 TIP3 5839 89.266 16.595 52.594 1.00 0.00 WT4 H ATOM 50350 OH2 TIP3 5840 29.465 93.572 49.414 1.00 0.00 WT4 O ATOM 50351 H1 TIP3 5840 30.238 93.835 48.914 1.00 0.00 WT4 H ATOM 50352 H2 TIP3 5840 29.292 92.673 49.133 1.00 0.00 WT4 H ATOM 50353 OH2 TIP3 5841 86.132 95.251 -10.447 1.00 0.00 WT4 O ATOM 50354 H1 TIP3 5841 86.314 95.121 -11.377 1.00 0.00 WT4 H ATOM 50355 H2 TIP3 5841 86.915 95.684 -10.107 1.00 0.00 WT4 H ATOM 50356 OH2 TIP3 5843 82.947 94.906 56.068 1.00 0.00 WT4 O ATOM 50357 H1 TIP3 5843 83.183 95.736 56.481 1.00 0.00 WT4 H ATOM 50358 H2 TIP3 5843 83.624 94.766 55.406 1.00 0.00 WT4 H ATOM 50359 OH2 TIP3 5844 86.507 13.555 51.151 1.00 0.00 WT4 O ATOM 50360 H1 TIP3 5844 87.394 13.500 50.794 1.00 0.00 WT4 H ATOM 50361 H2 TIP3 5844 86.443 14.444 51.499 1.00 0.00 WT4 H ATOM 50362 OH2 TIP3 5846 50.262 71.039 32.970 1.00 0.00 WT4 O ATOM 50363 H1 TIP3 5846 51.081 71.197 33.439 1.00 0.00 WT4 H ATOM 50364 H2 TIP3 5846 50.085 70.108 33.102 1.00 0.00 WT4 H ATOM 50365 OH2 TIP3 5859 57.218 48.141 52.990 1.00 0.00 WT4 O ATOM 50366 H1 TIP3 5859 57.797 48.805 52.615 1.00 0.00 WT4 H ATOM 50367 H2 TIP3 5859 56.380 48.276 52.547 1.00 0.00 WT4 H ATOM 50368 OH2 TIP3 5860 45.857 77.574 0.243 1.00 0.00 WT4 O ATOM 50369 H1 TIP3 5860 46.607 77.121 -0.143 1.00 0.00 WT4 H ATOM 50370 H2 TIP3 5860 45.179 77.530 -0.431 1.00 0.00 WT4 H ATOM 50371 OH2 TIP3 5861 58.527 83.786 51.119 1.00 0.00 WT4 O ATOM 50372 H1 TIP3 5861 58.332 83.395 50.267 1.00 0.00 WT4 H ATOM 50373 H2 TIP3 5861 57.685 84.123 51.426 1.00 0.00 WT4 H ATOM 50374 OH2 TIP3 5862 28.932 33.001 23.433 1.00 0.00 WT4 O ATOM 50375 H1 TIP3 5862 29.053 33.047 22.484 1.00 0.00 WT4 H ATOM 50376 H2 TIP3 5862 29.533 33.658 23.784 1.00 0.00 WT4 H ATOM 50377 OH2 TIP3 5863 56.949 93.311 -8.029 1.00 0.00 WT4 O ATOM 50378 H1 TIP3 5863 57.165 92.378 -8.021 1.00 0.00 WT4 H ATOM 50379 H2 TIP3 5863 57.580 93.708 -7.428 1.00 0.00 WT4 H ATOM 50380 OH2 TIP3 5865 75.497 51.470 -17.206 1.00 0.00 WT4 O ATOM 50381 H1 TIP3 5865 75.937 51.299 -16.374 1.00 0.00 WT4 H ATOM 50382 H2 TIP3 5865 74.646 51.039 -17.120 1.00 0.00 WT4 H ATOM 50383 OH2 TIP3 5866 66.185 81.002 12.604 1.00 0.00 WT4 O ATOM 50384 H1 TIP3 5866 65.519 81.318 13.213 1.00 0.00 WT4 H ATOM 50385 H2 TIP3 5866 65.923 80.102 12.408 1.00 0.00 WT4 H ATOM 50386 OH2 TIP3 5869 43.045 70.330 27.078 1.00 0.00 WT4 O ATOM 50387 H1 TIP3 5869 43.899 69.968 26.842 1.00 0.00 WT4 H ATOM 50388 H2 TIP3 5869 43.137 70.583 27.997 1.00 0.00 WT4 H ATOM 50389 OH2 TIP3 5881 28.450 35.879 25.301 1.00 0.00 WT4 O ATOM 50390 H1 TIP3 5881 28.946 36.206 24.551 1.00 0.00 WT4 H ATOM 50391 H2 TIP3 5881 28.891 35.065 25.545 1.00 0.00 WT4 H ATOM 50392 OH2 TIP3 5883 32.404 40.710 59.100 1.00 0.00 WT4 O ATOM 50393 H1 TIP3 5883 32.917 41.515 59.030 1.00 0.00 WT4 H ATOM 50394 H2 TIP3 5883 32.502 40.443 60.014 1.00 0.00 WT4 H ATOM 50395 OH2 TIP3 5884 89.736 0.621 48.506 1.00 0.00 WT4 O ATOM 50396 H1 TIP3 5884 88.821 0.392 48.341 1.00 0.00 WT4 H ATOM 50397 H2 TIP3 5884 90.227 -0.163 48.260 1.00 0.00 WT4 H ATOM 50398 OH2 TIP3 5886 44.440 54.890 -6.756 1.00 0.00 WT4 O ATOM 50399 H1 TIP3 5886 44.157 54.828 -7.668 1.00 0.00 WT4 H ATOM 50400 H2 TIP3 5886 45.232 55.427 -6.786 1.00 0.00 WT4 H ATOM 50401 OH2 TIP3 5887 56.301 10.785 9.574 1.00 0.00 WT4 O ATOM 50402 H1 TIP3 5887 55.415 11.118 9.713 1.00 0.00 WT4 H ATOM 50403 H2 TIP3 5887 56.528 10.356 10.400 1.00 0.00 WT4 H ATOM 50404 OH2 TIP3 5889 60.913 14.662 34.157 1.00 0.00 WT4 O ATOM 50405 H1 TIP3 5889 60.404 14.425 34.932 1.00 0.00 WT4 H ATOM 50406 H2 TIP3 5889 60.385 14.356 33.419 1.00 0.00 WT4 H ATOM 50407 OH2 TIP3 5899 29.703 14.840 52.320 1.00 0.00 WT4 O ATOM 50408 H1 TIP3 5899 29.414 13.942 52.158 1.00 0.00 WT4 H ATOM 50409 H2 TIP3 5899 29.057 15.385 51.871 1.00 0.00 WT4 H ATOM 50410 OH2 TIP3 5901 48.558 60.097 9.541 1.00 0.00 WT4 O ATOM 50411 H1 TIP3 5901 49.174 60.661 9.075 1.00 0.00 WT4 H ATOM 50412 H2 TIP3 5901 48.977 59.930 10.386 1.00 0.00 WT4 H ATOM 50413 OH2 TIP3 5903 80.253 94.441 30.139 1.00 0.00 WT4 O ATOM 50414 H1 TIP3 5903 79.992 93.884 30.873 1.00 0.00 WT4 H ATOM 50415 H2 TIP3 5903 80.010 95.326 30.412 1.00 0.00 WT4 H ATOM 50416 OH2 TIP3 5905 83.206 6.442 -11.350 1.00 0.00 WT4 O ATOM 50417 H1 TIP3 5905 82.827 6.036 -10.571 1.00 0.00 WT4 H ATOM 50418 H2 TIP3 5905 83.068 5.801 -12.048 1.00 0.00 WT4 H ATOM 50419 OH2 TIP3 5906 37.636 85.395 51.889 1.00 0.00 WT4 O ATOM 50420 H1 TIP3 5906 37.779 85.095 52.786 1.00 0.00 WT4 H ATOM 50421 H2 TIP3 5906 38.337 86.028 51.732 1.00 0.00 WT4 H ATOM 50422 OH2 TIP3 5909 40.006 38.400 46.348 1.00 0.00 WT4 O ATOM 50423 H1 TIP3 5909 39.242 38.969 46.257 1.00 0.00 WT4 H ATOM 50424 H2 TIP3 5909 39.641 37.535 46.534 1.00 0.00 WT4 H ATOM 50425 OH2 TIP3 5911 74.340 29.136 -16.860 1.00 0.00 WT4 O ATOM 50426 H1 TIP3 5911 75.072 29.477 -17.375 1.00 0.00 WT4 H ATOM 50427 H2 TIP3 5911 73.583 29.643 -17.154 1.00 0.00 WT4 H ATOM 50428 OH2 TIP3 5920 86.953 85.879 -3.223 1.00 0.00 WT4 O ATOM 50429 H1 TIP3 5920 87.455 85.284 -2.667 1.00 0.00 WT4 H ATOM 50430 H2 TIP3 5920 86.818 86.657 -2.681 1.00 0.00 WT4 H ATOM 50431 OH2 TIP3 5926 84.883 88.623 45.089 1.00 0.00 WT4 O ATOM 50432 H1 TIP3 5926 84.171 88.824 44.482 1.00 0.00 WT4 H ATOM 50433 H2 TIP3 5926 84.735 87.711 45.339 1.00 0.00 WT4 H ATOM 50434 OH2 TIP3 5945 55.844 4.016 55.958 1.00 0.00 WT4 O ATOM 50435 H1 TIP3 5945 56.512 4.419 55.404 1.00 0.00 WT4 H ATOM 50436 H2 TIP3 5945 55.013 4.312 55.586 1.00 0.00 WT4 H ATOM 50437 OH2 TIP3 5947 31.837 73.062 24.103 1.00 0.00 WT4 O ATOM 50438 H1 TIP3 5947 32.526 72.399 24.056 1.00 0.00 WT4 H ATOM 50439 H2 TIP3 5947 31.021 72.564 24.063 1.00 0.00 WT4 H ATOM 50440 OH2 TIP3 5948 87.615 63.225 62.202 1.00 0.00 WT4 O ATOM 50441 H1 TIP3 5948 87.180 64.045 62.435 1.00 0.00 WT4 H ATOM 50442 H2 TIP3 5948 86.942 62.718 61.746 1.00 0.00 WT4 H ATOM 50443 OH2 TIP3 5949 52.257 28.608 47.133 1.00 0.00 WT4 O ATOM 50444 H1 TIP3 5949 51.730 28.594 46.334 1.00 0.00 WT4 H ATOM 50445 H2 TIP3 5949 51.626 28.473 47.840 1.00 0.00 WT4 H ATOM 50446 OH2 TIP3 5964 32.920 4.151 62.264 1.00 0.00 WT4 O ATOM 50447 H1 TIP3 5964 33.759 3.700 62.174 1.00 0.00 WT4 H ATOM 50448 H2 TIP3 5964 33.143 5.003 62.638 1.00 0.00 WT4 H ATOM 50449 OH2 TIP3 5965 70.573 48.242 50.709 1.00 0.00 WT4 O ATOM 50450 H1 TIP3 5965 69.671 48.343 51.013 1.00 0.00 WT4 H ATOM 50451 H2 TIP3 5965 71.062 48.914 51.183 1.00 0.00 WT4 H ATOM 50452 OH2 TIP3 5994 79.543 48.311 26.297 1.00 0.00 WT4 O ATOM 50453 H1 TIP3 5994 78.740 48.785 26.512 1.00 0.00 WT4 H ATOM 50454 H2 TIP3 5994 79.677 47.718 27.036 1.00 0.00 WT4 H ATOM 50455 OH2 TIP3 6019 79.496 8.135 -9.014 1.00 0.00 WT4 O ATOM 50456 H1 TIP3 6019 80.269 7.943 -9.545 1.00 0.00 WT4 H ATOM 50457 H2 TIP3 6019 79.799 8.781 -8.375 1.00 0.00 WT4 H ATOM 50458 OH2 TIP3 6090 66.952 71.086 58.837 1.00 0.00 WT4 O ATOM 50459 H1 TIP3 6090 66.494 71.026 59.675 1.00 0.00 WT4 H ATOM 50460 H2 TIP3 6090 66.861 72.004 58.579 1.00 0.00 WT4 H ATOM 50461 OH2 TIP3 6091 77.229 61.602 -11.760 1.00 0.00 WT4 O ATOM 50462 H1 TIP3 6091 76.285 61.622 -11.607 1.00 0.00 WT4 H ATOM 50463 H2 TIP3 6091 77.422 62.443 -12.176 1.00 0.00 WT4 H ATOM 50464 OH2 TIP3 6110 34.177 67.818 11.609 1.00 0.00 WT4 O ATOM 50465 H1 TIP3 6110 34.588 68.574 12.027 1.00 0.00 WT4 H ATOM 50466 H2 TIP3 6110 34.381 67.083 12.188 1.00 0.00 WT4 H ATOM 50467 OH2 TIP3 6134 50.113 21.390 64.389 1.00 0.00 WT4 O ATOM 50468 H1 TIP3 6134 50.904 21.235 63.872 1.00 0.00 WT4 H ATOM 50469 H2 TIP3 6134 49.394 21.279 63.766 1.00 0.00 WT4 H ATOM 50470 OH2 TIP3 6136 76.612 71.711 12.548 1.00 0.00 WT4 O ATOM 50471 H1 TIP3 6136 75.924 72.277 12.197 1.00 0.00 WT4 H ATOM 50472 H2 TIP3 6136 76.657 70.979 11.932 1.00 0.00 WT4 H ATOM 50473 OH2 TIP3 6138 56.810 49.063 3.369 1.00 0.00 WT4 O ATOM 50474 H1 TIP3 6138 57.579 49.432 3.803 1.00 0.00 WT4 H ATOM 50475 H2 TIP3 6138 56.222 49.809 3.247 1.00 0.00 WT4 H ATOM 50476 OH2 TIP3 6174 73.940 60.180 59.955 1.00 0.00 WT4 O ATOM 50477 H1 TIP3 6174 73.841 59.350 59.489 1.00 0.00 WT4 H ATOM 50478 H2 TIP3 6174 74.087 60.827 59.265 1.00 0.00 WT4 H ATOM 50479 OH2 TIP3 6176 77.083 17.044 -18.097 1.00 0.00 WT4 O ATOM 50480 H1 TIP3 6176 76.634 16.234 -18.339 1.00 0.00 WT4 H ATOM 50481 H2 TIP3 6176 77.471 17.357 -18.914 1.00 0.00 WT4 H ATOM 50482 OH2 TIP3 6177 49.798 64.884 56.504 1.00 0.00 WT4 O ATOM 50483 H1 TIP3 6177 49.566 64.490 55.664 1.00 0.00 WT4 H ATOM 50484 H2 TIP3 6177 50.694 64.590 56.668 1.00 0.00 WT4 H ATOM 50485 OH2 TIP3 6178 65.631 3.366 1.496 1.00 0.00 WT4 O ATOM 50486 H1 TIP3 6178 66.400 3.119 2.010 1.00 0.00 WT4 H ATOM 50487 H2 TIP3 6178 65.115 3.915 2.086 1.00 0.00 WT4 H ATOM 50488 OH2 TIP3 6179 58.435 60.678 26.015 1.00 0.00 WT4 O ATOM 50489 H1 TIP3 6179 57.519 60.858 26.226 1.00 0.00 WT4 H ATOM 50490 H2 TIP3 6179 58.488 60.785 25.065 1.00 0.00 WT4 H ATOM 50491 OH2 TIP3 6181 32.340 95.136 52.383 1.00 0.00 WT4 O ATOM 50492 H1 TIP3 6181 33.179 94.878 52.766 1.00 0.00 WT4 H ATOM 50493 H2 TIP3 6181 32.573 95.739 51.678 1.00 0.00 WT4 H ATOM 50494 OH2 TIP3 6183 75.653 80.640 -6.751 1.00 0.00 WT4 O ATOM 50495 H1 TIP3 6183 75.619 80.335 -7.658 1.00 0.00 WT4 H ATOM 50496 H2 TIP3 6183 75.512 81.585 -6.811 1.00 0.00 WT4 H ATOM 50497 OH2 TIP3 6195 59.726 94.802 57.352 1.00 0.00 WT4 O ATOM 50498 H1 TIP3 6195 59.931 94.615 56.436 1.00 0.00 WT4 H ATOM 50499 H2 TIP3 6195 58.774 94.902 57.370 1.00 0.00 WT4 H ATOM 50500 OH2 TIP3 6198 44.287 92.994 43.990 1.00 0.00 WT4 O ATOM 50501 H1 TIP3 6198 44.500 92.680 43.111 1.00 0.00 WT4 H ATOM 50502 H2 TIP3 6198 45.101 92.896 44.483 1.00 0.00 WT4 H ATOM 50503 OH2 TIP3 6200 67.579 65.897 20.106 1.00 0.00 WT4 O ATOM 50504 H1 TIP3 6200 66.738 66.254 20.391 1.00 0.00 WT4 H ATOM 50505 H2 TIP3 6200 67.349 65.127 19.586 1.00 0.00 WT4 H ATOM 50506 OH2 TIP3 6215 71.375 54.825 21.691 1.00 0.00 WT4 O ATOM 50507 H1 TIP3 6215 70.686 55.016 22.327 1.00 0.00 WT4 H ATOM 50508 H2 TIP3 6215 71.133 55.332 20.916 1.00 0.00 WT4 H ATOM 50509 OH2 TIP3 6216 48.433 80.434 61.031 1.00 0.00 WT4 O ATOM 50510 H1 TIP3 6216 48.801 79.872 61.713 1.00 0.00 WT4 H ATOM 50511 H2 TIP3 6216 48.951 81.238 61.077 1.00 0.00 WT4 H ATOM 50512 OH2 TIP3 6218 84.286 51.824 19.199 1.00 0.00 WT4 O ATOM 50513 H1 TIP3 6218 83.917 50.946 19.100 1.00 0.00 WT4 H ATOM 50514 H2 TIP3 6218 84.168 52.030 20.126 1.00 0.00 WT4 H ATOM 50515 OH2 TIP3 6219 32.731 58.004 -13.128 1.00 0.00 WT4 O ATOM 50516 H1 TIP3 6219 32.554 57.191 -12.655 1.00 0.00 WT4 H ATOM 50517 H2 TIP3 6219 33.652 58.192 -12.948 1.00 0.00 WT4 H ATOM 50518 OH2 TIP3 6220 79.453 0.892 31.202 1.00 0.00 WT4 O ATOM 50519 H1 TIP3 6220 78.602 1.264 31.435 1.00 0.00 WT4 H ATOM 50520 H2 TIP3 6220 80.087 1.421 31.686 1.00 0.00 WT4 H ATOM 50521 OH2 TIP3 6221 54.359 35.424 50.125 1.00 0.00 WT4 O ATOM 50522 H1 TIP3 6221 54.740 35.012 49.349 1.00 0.00 WT4 H ATOM 50523 H2 TIP3 6221 54.389 36.363 49.937 1.00 0.00 WT4 H ATOM 50524 OH2 TIP3 6225 20.677 50.172 0.936 1.00 0.00 WT4 O ATOM 50525 H1 TIP3 6225 21.239 50.591 0.285 1.00 0.00 WT4 H ATOM 50526 H2 TIP3 6225 19.836 50.622 0.854 1.00 0.00 WT4 H ATOM 50527 OH2 TIP3 6238 55.903 83.837 9.283 1.00 0.00 WT4 O ATOM 50528 H1 TIP3 6238 56.774 83.600 8.966 1.00 0.00 WT4 H ATOM 50529 H2 TIP3 6238 55.341 83.115 9.002 1.00 0.00 WT4 H ATOM 50530 OH2 TIP3 6240 38.254 73.693 -14.098 1.00 0.00 WT4 O ATOM 50531 H1 TIP3 6240 39.000 73.298 -14.551 1.00 0.00 WT4 H ATOM 50532 H2 TIP3 6240 37.523 73.591 -14.707 1.00 0.00 WT4 H ATOM 50533 OH2 TIP3 6241 37.301 77.055 42.874 1.00 0.00 WT4 O ATOM 50534 H1 TIP3 6241 38.002 76.405 42.926 1.00 0.00 WT4 H ATOM 50535 H2 TIP3 6241 37.104 77.269 43.786 1.00 0.00 WT4 H ATOM 50536 OH2 TIP3 6242 53.649 18.003 39.028 1.00 0.00 WT4 O ATOM 50537 H1 TIP3 6242 53.377 18.619 39.707 1.00 0.00 WT4 H ATOM 50538 H2 TIP3 6242 54.006 18.555 38.332 1.00 0.00 WT4 H ATOM 50539 OH2 TIP3 6243 53.736 14.659 22.548 1.00 0.00 WT4 O ATOM 50540 H1 TIP3 6243 53.568 15.293 21.851 1.00 0.00 WT4 H ATOM 50541 H2 TIP3 6243 52.870 14.331 22.789 1.00 0.00 WT4 H ATOM 50542 OH2 TIP3 6245 45.741 96.635 47.904 1.00 0.00 WT4 O ATOM 50543 H1 TIP3 6245 45.888 96.575 48.848 1.00 0.00 WT4 H ATOM 50544 H2 TIP3 6245 45.049 95.998 47.727 1.00 0.00 WT4 H ATOM 50545 OH2 TIP3 6246 52.810 7.714 58.538 1.00 0.00 WT4 O ATOM 50546 H1 TIP3 6246 53.705 7.651 58.203 1.00 0.00 WT4 H ATOM 50547 H2 TIP3 6246 52.520 8.590 58.284 1.00 0.00 WT4 H ATOM 50548 OH2 TIP3 6258 75.540 82.177 -17.003 1.00 0.00 WT4 O ATOM 50549 H1 TIP3 6258 75.928 82.848 -16.442 1.00 0.00 WT4 H ATOM 50550 H2 TIP3 6258 75.693 81.355 -16.537 1.00 0.00 WT4 H ATOM 50551 OH2 TIP3 6259 65.429 27.004 42.222 1.00 0.00 WT4 O ATOM 50552 H1 TIP3 6259 65.357 27.923 41.963 1.00 0.00 WT4 H ATOM 50553 H2 TIP3 6259 64.533 26.745 42.438 1.00 0.00 WT4 H ATOM 50554 OH2 TIP3 6261 50.050 5.204 1.259 1.00 0.00 WT4 O ATOM 50555 H1 TIP3 6261 50.506 5.620 0.526 1.00 0.00 WT4 H ATOM 50556 H2 TIP3 6261 49.568 4.479 0.861 1.00 0.00 WT4 H ATOM 50557 OH2 TIP3 6263 25.673 16.419 31.893 1.00 0.00 WT4 O ATOM 50558 H1 TIP3 6263 26.549 16.306 31.526 1.00 0.00 WT4 H ATOM 50559 H2 TIP3 6263 25.155 15.717 31.498 1.00 0.00 WT4 H ATOM 50560 OH2 TIP3 6264 52.641 12.136 32.563 1.00 0.00 WT4 O ATOM 50561 H1 TIP3 6264 53.102 12.939 32.802 1.00 0.00 WT4 H ATOM 50562 H2 TIP3 6264 52.776 12.054 31.619 1.00 0.00 WT4 H ATOM 50563 OH2 TIP3 6269 58.025 78.950 58.365 1.00 0.00 WT4 O ATOM 50564 H1 TIP3 6269 57.547 78.463 57.694 1.00 0.00 WT4 H ATOM 50565 H2 TIP3 6269 57.341 79.353 58.900 1.00 0.00 WT4 H ATOM 50566 OH2 TIP3 6281 64.923 66.588 21.624 1.00 0.00 WT4 O ATOM 50567 H1 TIP3 6281 64.401 66.741 22.412 1.00 0.00 WT4 H ATOM 50568 H2 TIP3 6281 65.036 65.638 21.592 1.00 0.00 WT4 H ATOM 50569 OH2 TIP3 6283 70.202 5.052 54.944 1.00 0.00 WT4 O ATOM 50570 H1 TIP3 6283 70.445 4.465 55.659 1.00 0.00 WT4 H ATOM 50571 H2 TIP3 6283 70.950 5.027 54.347 1.00 0.00 WT4 H ATOM 50572 OH2 TIP3 6284 28.725 96.085 59.464 1.00 0.00 WT4 O ATOM 50573 H1 TIP3 6284 28.499 95.608 60.263 1.00 0.00 WT4 H ATOM 50574 H2 TIP3 6284 29.649 96.313 59.574 1.00 0.00 WT4 H ATOM 50575 OH2 TIP3 6285 33.448 59.876 66.645 1.00 0.00 WT4 O ATOM 50576 H1 TIP3 6285 34.005 59.424 67.278 1.00 0.00 WT4 H ATOM 50577 H2 TIP3 6285 32.761 60.281 67.175 1.00 0.00 WT4 H ATOM 50578 OH2 TIP3 6286 84.845 21.232 55.795 1.00 0.00 WT4 O ATOM 50579 H1 TIP3 6286 84.338 22.014 55.575 1.00 0.00 WT4 H ATOM 50580 H2 TIP3 6286 84.187 20.575 56.021 1.00 0.00 WT4 H ATOM 50581 OH2 TIP3 6288 33.524 65.114 1.890 1.00 0.00 WT4 O ATOM 50582 H1 TIP3 6288 34.017 65.608 2.545 1.00 0.00 WT4 H ATOM 50583 H2 TIP3 6288 34.192 64.628 1.404 1.00 0.00 WT4 H ATOM 50584 OH2 TIP3 6297 53.599 85.102 42.508 1.00 0.00 WT4 O ATOM 50585 H1 TIP3 6297 54.170 84.334 42.501 1.00 0.00 WT4 H ATOM 50586 H2 TIP3 6297 52.726 84.753 42.328 1.00 0.00 WT4 H ATOM 50587 OH2 TIP3 6300 75.093 82.807 37.528 1.00 0.00 WT4 O ATOM 50588 H1 TIP3 6300 74.683 83.631 37.793 1.00 0.00 WT4 H ATOM 50589 H2 TIP3 6300 74.365 82.263 37.228 1.00 0.00 WT4 H ATOM 50590 OH2 TIP3 6303 50.730 61.914 51.126 1.00 0.00 WT4 O ATOM 50591 H1 TIP3 6303 50.100 61.604 50.475 1.00 0.00 WT4 H ATOM 50592 H2 TIP3 6303 51.092 62.715 50.748 1.00 0.00 WT4 H ATOM 50593 OH2 TIP3 6305 53.604 14.344 33.639 1.00 0.00 WT4 O ATOM 50594 H1 TIP3 6305 54.287 13.696 33.810 1.00 0.00 WT4 H ATOM 50595 H2 TIP3 6305 53.538 14.843 34.453 1.00 0.00 WT4 H ATOM 50596 OH2 TIP3 6309 75.350 12.608 3.917 1.00 0.00 WT4 O ATOM 50597 H1 TIP3 6309 76.125 13.169 3.950 1.00 0.00 WT4 H ATOM 50598 H2 TIP3 6309 75.209 12.341 4.826 1.00 0.00 WT4 H ATOM 50599 OH2 TIP3 6311 86.066 8.481 47.635 1.00 0.00 WT4 O ATOM 50600 H1 TIP3 6311 85.532 9.144 48.072 1.00 0.00 WT4 H ATOM 50601 H2 TIP3 6311 86.943 8.602 47.998 1.00 0.00 WT4 H ATOM 50602 OH2 TIP3 6319 87.977 55.940 33.474 1.00 0.00 WT4 O ATOM 50603 H1 TIP3 6319 88.317 56.390 32.700 1.00 0.00 WT4 H ATOM 50604 H2 TIP3 6319 87.448 55.224 33.123 1.00 0.00 WT4 H ATOM 50605 OH2 TIP3 6321 55.760 12.755 -9.679 1.00 0.00 WT4 O ATOM 50606 H1 TIP3 6321 56.309 12.512 -8.934 1.00 0.00 WT4 H ATOM 50607 H2 TIP3 6321 55.480 11.919 -10.053 1.00 0.00 WT4 H ATOM 50608 OH2 TIP3 6322 70.588 96.436 -13.865 1.00 0.00 WT4 O ATOM 50609 H1 TIP3 6322 69.658 96.215 -13.925 1.00 0.00 WT4 H ATOM 50610 H2 TIP3 6322 71.037 95.591 -13.884 1.00 0.00 WT4 H ATOM 50611 OH2 TIP3 6323 56.935 17.825 -7.488 1.00 0.00 WT4 O ATOM 50612 H1 TIP3 6323 57.763 18.239 -7.243 1.00 0.00 WT4 H ATOM 50613 H2 TIP3 6323 57.190 16.979 -7.858 1.00 0.00 WT4 H ATOM 50614 OH2 TIP3 6325 31.490 54.541 35.674 1.00 0.00 WT4 O ATOM 50615 H1 TIP3 6325 30.843 54.154 35.084 1.00 0.00 WT4 H ATOM 50616 H2 TIP3 6325 31.499 55.470 35.445 1.00 0.00 WT4 H ATOM 50617 OH2 TIP3 6328 78.198 74.184 3.688 1.00 0.00 WT4 O ATOM 50618 H1 TIP3 6328 78.529 73.286 3.687 1.00 0.00 WT4 H ATOM 50619 H2 TIP3 6328 78.199 74.441 2.766 1.00 0.00 WT4 H ATOM 50620 OH2 TIP3 6329 74.325 26.088 -11.789 1.00 0.00 WT4 O ATOM 50621 H1 TIP3 6329 74.271 26.018 -12.742 1.00 0.00 WT4 H ATOM 50622 H2 TIP3 6329 74.524 25.200 -11.493 1.00 0.00 WT4 H ATOM 50623 OH2 TIP3 6345 55.101 82.957 50.126 1.00 0.00 WT4 O ATOM 50624 H1 TIP3 6345 55.367 83.069 49.213 1.00 0.00 WT4 H ATOM 50625 H2 TIP3 6345 54.402 82.305 50.094 1.00 0.00 WT4 H ATOM 50626 OH2 TIP3 6347 40.356 96.241 0.674 1.00 0.00 WT4 O ATOM 50627 H1 TIP3 6347 41.094 95.860 1.149 1.00 0.00 WT4 H ATOM 50628 H2 TIP3 6347 39.794 95.495 0.464 1.00 0.00 WT4 H ATOM 50629 OH2 TIP3 6348 85.261 41.300 65.395 1.00 0.00 WT4 O ATOM 50630 H1 TIP3 6348 84.939 42.027 65.927 1.00 0.00 WT4 H ATOM 50631 H2 TIP3 6348 85.385 41.677 64.524 1.00 0.00 WT4 H ATOM 50632 OH2 TIP3 6353 90.085 92.023 -10.851 1.00 0.00 WT4 O ATOM 50633 H1 TIP3 6353 89.152 91.809 -10.890 1.00 0.00 WT4 H ATOM 50634 H2 TIP3 6353 90.336 92.170 -11.763 1.00 0.00 WT4 H ATOM 50635 OH2 TIP3 6357 62.849 84.065 43.269 1.00 0.00 WT4 O ATOM 50636 H1 TIP3 6357 63.160 83.171 43.127 1.00 0.00 WT4 H ATOM 50637 H2 TIP3 6357 62.756 84.139 44.219 1.00 0.00 WT4 H ATOM 50638 OH2 TIP3 6364 61.074 14.908 -2.054 1.00 0.00 WT4 O ATOM 50639 H1 TIP3 6364 60.595 14.443 -2.741 1.00 0.00 WT4 H ATOM 50640 H2 TIP3 6364 60.593 14.712 -1.251 1.00 0.00 WT4 H ATOM 50641 OH2 TIP3 6366 24.353 50.851 8.811 1.00 0.00 WT4 O ATOM 50642 H1 TIP3 6366 25.245 50.734 8.482 1.00 0.00 WT4 H ATOM 50643 H2 TIP3 6366 24.121 51.745 8.562 1.00 0.00 WT4 H ATOM 50644 OH2 TIP3 6369 55.935 70.297 -14.168 1.00 0.00 WT4 O ATOM 50645 H1 TIP3 6369 56.425 69.708 -14.742 1.00 0.00 WT4 H ATOM 50646 H2 TIP3 6369 56.305 70.149 -13.298 1.00 0.00 WT4 H ATOM 50647 OH2 TIP3 6381 35.007 55.016 32.909 1.00 0.00 WT4 O ATOM 50648 H1 TIP3 6381 35.588 55.433 33.545 1.00 0.00 WT4 H ATOM 50649 H2 TIP3 6381 35.230 55.427 32.074 1.00 0.00 WT4 H ATOM 50650 OH2 TIP3 6388 58.747 40.705 42.552 1.00 0.00 WT4 O ATOM 50651 H1 TIP3 6388 59.648 40.383 42.561 1.00 0.00 WT4 H ATOM 50652 H2 TIP3 6388 58.813 41.593 42.200 1.00 0.00 WT4 H ATOM 50653 OH2 TIP3 6390 59.254 28.789 48.496 1.00 0.00 WT4 O ATOM 50654 H1 TIP3 6390 58.308 28.919 48.426 1.00 0.00 WT4 H ATOM 50655 H2 TIP3 6390 59.405 27.919 48.127 1.00 0.00 WT4 H ATOM 50656 OH2 TIP3 6403 84.728 69.681 62.259 1.00 0.00 WT4 O ATOM 50657 H1 TIP3 6403 84.816 70.158 61.434 1.00 0.00 WT4 H ATOM 50658 H2 TIP3 6403 84.222 68.901 62.033 1.00 0.00 WT4 H ATOM 50659 OH2 TIP3 6417 81.297 96.352 5.539 1.00 0.00 WT4 O ATOM 50660 H1 TIP3 6417 81.527 95.469 5.248 1.00 0.00 WT4 H ATOM 50661 H2 TIP3 6417 81.401 96.896 4.758 1.00 0.00 WT4 H ATOM 50662 OH2 TIP3 6428 56.508 93.783 53.659 1.00 0.00 WT4 O ATOM 50663 H1 TIP3 6428 55.676 93.444 53.987 1.00 0.00 WT4 H ATOM 50664 H2 TIP3 6428 57.049 93.005 53.525 1.00 0.00 WT4 H ATOM 50665 OH2 TIP3 6429 65.779 29.710 52.736 1.00 0.00 WT4 O ATOM 50666 H1 TIP3 6429 65.640 30.344 53.439 1.00 0.00 WT4 H ATOM 50667 H2 TIP3 6429 65.032 29.115 52.798 1.00 0.00 WT4 H ATOM 50668 OH2 TIP3 6492 89.549 19.271 -3.264 1.00 0.00 WT4 O ATOM 50669 H1 TIP3 6492 90.102 19.514 -2.522 1.00 0.00 WT4 H ATOM 50670 H2 TIP3 6492 89.866 18.407 -3.527 1.00 0.00 WT4 H ATOM 50671 OH2 TIP3 6499 58.543 93.521 43.639 1.00 0.00 WT4 O ATOM 50672 H1 TIP3 6499 58.643 92.869 44.333 1.00 0.00 WT4 H ATOM 50673 H2 TIP3 6499 57.714 93.296 43.216 1.00 0.00 WT4 H ATOM 50674 OH2 TIP3 6536 55.410 18.273 55.561 1.00 0.00 WT4 O ATOM 50675 H1 TIP3 6536 55.230 17.730 54.793 1.00 0.00 WT4 H ATOM 50676 H2 TIP3 6536 55.214 19.165 55.275 1.00 0.00 WT4 H ATOM 50677 OH2 TIP3 6551 62.908 40.494 40.119 1.00 0.00 WT4 O ATOM 50678 H1 TIP3 6551 63.153 40.141 39.264 1.00 0.00 WT4 H ATOM 50679 H2 TIP3 6551 63.290 41.372 40.134 1.00 0.00 WT4 H ATOM 50680 OH2 TIP3 6555 29.206 91.970 9.356 1.00 0.00 WT4 O ATOM 50681 H1 TIP3 6555 29.696 92.758 9.593 1.00 0.00 WT4 H ATOM 50682 H2 TIP3 6555 28.287 92.225 9.438 1.00 0.00 WT4 H ATOM 50683 OH2 TIP3 6575 85.199 40.253 -16.930 1.00 0.00 WT4 O ATOM 50684 H1 TIP3 6575 85.569 39.912 -16.115 1.00 0.00 WT4 H ATOM 50685 H2 TIP3 6575 84.275 40.403 -16.729 1.00 0.00 WT4 H ATOM 50686 OH2 TIP3 6577 37.689 2.210 17.164 1.00 0.00 WT4 O ATOM 50687 H1 TIP3 6577 37.394 1.790 16.356 1.00 0.00 WT4 H ATOM 50688 H2 TIP3 6577 37.012 1.996 17.806 1.00 0.00 WT4 H ATOM 50689 OH2 TIP3 6579 78.895 62.148 50.379 1.00 0.00 WT4 O ATOM 50690 H1 TIP3 6579 79.455 61.375 50.323 1.00 0.00 WT4 H ATOM 50691 H2 TIP3 6579 78.217 61.909 51.011 1.00 0.00 WT4 H ATOM 50692 OH2 TIP3 6595 70.764 28.998 39.104 1.00 0.00 WT4 O ATOM 50693 H1 TIP3 6595 69.956 29.383 39.443 1.00 0.00 WT4 H ATOM 50694 H2 TIP3 6595 70.539 28.084 38.929 1.00 0.00 WT4 H ATOM 50695 OH2 TIP3 6597 41.593 90.267 46.173 1.00 0.00 WT4 O ATOM 50696 H1 TIP3 6597 42.382 90.545 46.639 1.00 0.00 WT4 H ATOM 50697 H2 TIP3 6597 41.765 89.357 45.930 1.00 0.00 WT4 H ATOM 50698 OH2 TIP3 6602 26.414 93.367 -10.330 1.00 0.00 WT4 O ATOM 50699 H1 TIP3 6602 25.557 93.663 -10.021 1.00 0.00 WT4 H ATOM 50700 H2 TIP3 6602 27.036 93.969 -9.921 1.00 0.00 WT4 H ATOM 50701 OH2 TIP3 6603 68.966 91.844 57.610 1.00 0.00 WT4 O ATOM 50702 H1 TIP3 6603 68.636 92.120 58.466 1.00 0.00 WT4 H ATOM 50703 H2 TIP3 6603 69.657 92.474 57.405 1.00 0.00 WT4 H ATOM 50704 OH2 TIP3 6615 63.558 43.504 -1.493 1.00 0.00 WT4 O ATOM 50705 H1 TIP3 6615 64.210 43.940 -0.945 1.00 0.00 WT4 H ATOM 50706 H2 TIP3 6615 62.931 43.134 -0.872 1.00 0.00 WT4 H ATOM 50707 OH2 TIP3 6616 74.369 45.147 63.082 1.00 0.00 WT4 O ATOM 50708 H1 TIP3 6616 74.517 46.080 62.932 1.00 0.00 WT4 H ATOM 50709 H2 TIP3 6616 74.740 44.718 62.311 1.00 0.00 WT4 H ATOM 50710 OH2 TIP3 6618 50.996 91.713 -0.280 1.00 0.00 WT4 O ATOM 50711 H1 TIP3 6618 50.478 91.494 0.495 1.00 0.00 WT4 H ATOM 50712 H2 TIP3 6618 51.339 90.873 -0.584 1.00 0.00 WT4 H ATOM 50713 OH2 TIP3 6620 80.260 79.684 57.094 1.00 0.00 WT4 O ATOM 50714 H1 TIP3 6620 80.476 80.604 56.941 1.00 0.00 WT4 H ATOM 50715 H2 TIP3 6620 79.309 79.675 57.201 1.00 0.00 WT4 H ATOM 50716 OH2 TIP3 6621 28.108 46.121 59.377 1.00 0.00 WT4 O ATOM 50717 H1 TIP3 6621 28.311 46.931 58.910 1.00 0.00 WT4 H ATOM 50718 H2 TIP3 6621 28.528 46.224 60.231 1.00 0.00 WT4 H ATOM 50719 OH2 TIP3 6623 81.465 80.981 65.122 1.00 0.00 WT4 O ATOM 50720 H1 TIP3 6623 80.694 80.865 65.678 1.00 0.00 WT4 H ATOM 50721 H2 TIP3 6623 81.360 81.855 64.746 1.00 0.00 WT4 H ATOM 50722 OH2 TIP3 6637 23.177 57.178 -11.389 1.00 0.00 WT4 O ATOM 50723 H1 TIP3 6637 22.296 57.146 -11.763 1.00 0.00 WT4 H ATOM 50724 H2 TIP3 6637 23.751 57.330 -12.139 1.00 0.00 WT4 H ATOM 50725 OH2 TIP3 6639 71.342 79.258 66.670 1.00 0.00 WT4 O ATOM 50726 H1 TIP3 6639 70.818 80.025 66.439 1.00 0.00 WT4 H ATOM 50727 H2 TIP3 6639 71.899 79.555 67.389 1.00 0.00 WT4 H ATOM 50728 OH2 TIP3 6640 84.956 61.084 -9.453 1.00 0.00 WT4 O ATOM 50729 H1 TIP3 6640 84.959 60.636 -8.607 1.00 0.00 WT4 H ATOM 50730 H2 TIP3 6640 85.712 61.670 -9.417 1.00 0.00 WT4 H ATOM 50731 OH2 TIP3 6641 25.995 65.292 -9.663 1.00 0.00 WT4 O ATOM 50732 H1 TIP3 6641 26.488 65.057 -10.449 1.00 0.00 WT4 H ATOM 50733 H2 TIP3 6641 26.273 64.655 -9.005 1.00 0.00 WT4 H ATOM 50734 OH2 TIP3 6645 87.212 38.733 62.732 1.00 0.00 WT4 O ATOM 50735 H1 TIP3 6645 86.799 38.455 63.549 1.00 0.00 WT4 H ATOM 50736 H2 TIP3 6645 88.142 38.541 62.856 1.00 0.00 WT4 H ATOM 50737 OH2 TIP3 6659 35.854 59.416 25.199 1.00 0.00 WT4 O ATOM 50738 H1 TIP3 6659 35.665 59.650 24.291 1.00 0.00 WT4 H ATOM 50739 H2 TIP3 6659 36.626 59.936 25.425 1.00 0.00 WT4 H ATOM 50740 OH2 TIP3 6660 70.565 69.236 24.182 1.00 0.00 WT4 O ATOM 50741 H1 TIP3 6660 69.819 69.412 23.609 1.00 0.00 WT4 H ATOM 50742 H2 TIP3 6660 70.686 70.047 24.675 1.00 0.00 WT4 H ATOM 50743 OH2 TIP3 6661 22.138 0.955 50.138 1.00 0.00 WT4 O ATOM 50744 H1 TIP3 6661 21.218 0.809 49.918 1.00 0.00 WT4 H ATOM 50745 H2 TIP3 6661 22.500 0.077 50.254 1.00 0.00 WT4 H ATOM 50746 OH2 TIP3 6662 29.101 22.990 30.374 1.00 0.00 WT4 O ATOM 50747 H1 TIP3 6662 29.409 22.097 30.219 1.00 0.00 WT4 H ATOM 50748 H2 TIP3 6662 29.863 23.541 30.198 1.00 0.00 WT4 H ATOM 50749 OH2 TIP3 6664 80.464 31.710 15.858 1.00 0.00 WT4 O ATOM 50750 H1 TIP3 6664 79.783 31.702 15.185 1.00 0.00 WT4 H ATOM 50751 H2 TIP3 6664 80.968 32.504 15.680 1.00 0.00 WT4 H ATOM 50752 OH2 TIP3 6671 78.666 68.902 61.474 1.00 0.00 WT4 O ATOM 50753 H1 TIP3 6671 78.746 67.985 61.213 1.00 0.00 WT4 H ATOM 50754 H2 TIP3 6671 78.594 68.875 62.428 1.00 0.00 WT4 H ATOM 50755 OH2 TIP3 6679 78.452 21.190 4.532 1.00 0.00 WT4 O ATOM 50756 H1 TIP3 6679 79.081 21.268 5.249 1.00 0.00 WT4 H ATOM 50757 H2 TIP3 6679 78.466 22.048 4.107 1.00 0.00 WT4 H ATOM 50758 OH2 TIP3 6681 25.247 5.590 4.707 1.00 0.00 WT4 O ATOM 50759 H1 TIP3 6681 24.900 5.480 3.822 1.00 0.00 WT4 H ATOM 50760 H2 TIP3 6681 25.195 4.717 5.095 1.00 0.00 WT4 H ATOM 50761 OH2 TIP3 6684 32.225 6.315 31.913 1.00 0.00 WT4 O ATOM 50762 H1 TIP3 6684 31.580 5.719 32.293 1.00 0.00 WT4 H ATOM 50763 H2 TIP3 6684 31.891 7.190 32.114 1.00 0.00 WT4 H ATOM 50764 OH2 TIP3 6686 75.917 67.429 27.645 1.00 0.00 WT4 O ATOM 50765 H1 TIP3 6686 75.853 68.060 26.928 1.00 0.00 WT4 H ATOM 50766 H2 TIP3 6686 75.589 66.610 27.275 1.00 0.00 WT4 H ATOM 50767 OH2 TIP3 6698 60.400 50.249 64.932 1.00 0.00 WT4 O ATOM 50768 H1 TIP3 6698 60.913 50.928 64.494 1.00 0.00 WT4 H ATOM 50769 H2 TIP3 6698 59.489 50.483 64.750 1.00 0.00 WT4 H ATOM 50770 OH2 TIP3 6700 76.156 9.585 5.887 1.00 0.00 WT4 O ATOM 50771 H1 TIP3 6700 76.117 10.273 5.223 1.00 0.00 WT4 H ATOM 50772 H2 TIP3 6700 76.325 10.050 6.706 1.00 0.00 WT4 H ATOM 50773 OH2 TIP3 6701 81.266 60.357 -3.302 1.00 0.00 WT4 O ATOM 50774 H1 TIP3 6701 81.632 60.799 -2.536 1.00 0.00 WT4 H ATOM 50775 H2 TIP3 6701 82.011 60.242 -3.891 1.00 0.00 WT4 H ATOM 50776 OH2 TIP3 6703 83.562 50.132 49.298 1.00 0.00 WT4 O ATOM 50777 H1 TIP3 6703 82.650 49.858 49.207 1.00 0.00 WT4 H ATOM 50778 H2 TIP3 6703 84.043 49.318 49.448 1.00 0.00 WT4 H ATOM 50779 OH2 TIP3 6704 90.250 89.663 34.714 1.00 0.00 WT4 O ATOM 50780 H1 TIP3 6704 89.477 89.715 34.152 1.00 0.00 WT4 H ATOM 50781 H2 TIP3 6704 90.990 89.696 34.107 1.00 0.00 WT4 H ATOM 50782 OH2 TIP3 6705 52.356 89.146 -6.505 1.00 0.00 WT4 O ATOM 50783 H1 TIP3 6705 52.332 88.756 -7.379 1.00 0.00 WT4 H ATOM 50784 H2 TIP3 6705 52.724 90.019 -6.642 1.00 0.00 WT4 H ATOM 50785 OH2 TIP3 6706 42.796 84.486 48.616 1.00 0.00 WT4 O ATOM 50786 H1 TIP3 6706 42.242 84.971 49.227 1.00 0.00 WT4 H ATOM 50787 H2 TIP3 6706 42.211 83.836 48.227 1.00 0.00 WT4 H ATOM 50788 OH2 TIP3 6721 46.301 37.053 39.765 1.00 0.00 WT4 O ATOM 50789 H1 TIP3 6721 45.430 37.280 39.442 1.00 0.00 WT4 H ATOM 50790 H2 TIP3 6721 46.900 37.382 39.094 1.00 0.00 WT4 H ATOM 50791 OH2 TIP3 6722 52.955 27.125 31.872 1.00 0.00 WT4 O ATOM 50792 H1 TIP3 6722 52.950 26.261 32.283 1.00 0.00 WT4 H ATOM 50793 H2 TIP3 6722 52.030 27.360 31.798 1.00 0.00 WT4 H ATOM 50794 OH2 TIP3 6726 78.709 28.108 -4.232 1.00 0.00 WT4 O ATOM 50795 H1 TIP3 6726 79.074 28.368 -5.078 1.00 0.00 WT4 H ATOM 50796 H2 TIP3 6726 79.430 28.228 -3.613 1.00 0.00 WT4 H ATOM 50797 OH2 TIP3 6727 85.381 2.286 40.984 1.00 0.00 WT4 O ATOM 50798 H1 TIP3 6727 86.133 1.943 41.467 1.00 0.00 WT4 H ATOM 50799 H2 TIP3 6727 85.750 2.956 40.408 1.00 0.00 WT4 H ATOM 50800 OH2 TIP3 6730 43.334 93.821 48.907 1.00 0.00 WT4 O ATOM 50801 H1 TIP3 6730 43.756 93.778 48.048 1.00 0.00 WT4 H ATOM 50802 H2 TIP3 6730 43.781 93.153 49.427 1.00 0.00 WT4 H ATOM 50803 OH2 TIP3 6731 65.120 5.958 17.036 1.00 0.00 WT4 O ATOM 50804 H1 TIP3 6731 65.720 5.213 17.055 1.00 0.00 WT4 H ATOM 50805 H2 TIP3 6731 64.886 6.053 16.112 1.00 0.00 WT4 H ATOM 50806 OH2 TIP3 6740 29.891 1.924 61.342 1.00 0.00 WT4 O ATOM 50807 H1 TIP3 6740 30.069 2.862 61.400 1.00 0.00 WT4 H ATOM 50808 H2 TIP3 6740 30.682 1.507 61.683 1.00 0.00 WT4 H ATOM 50809 OH2 TIP3 6742 78.818 78.639 9.451 1.00 0.00 WT4 O ATOM 50810 H1 TIP3 6742 78.660 77.780 9.060 1.00 0.00 WT4 H ATOM 50811 H2 TIP3 6742 79.626 78.529 9.952 1.00 0.00 WT4 H ATOM 50812 OH2 TIP3 6743 31.566 82.896 18.977 1.00 0.00 WT4 O ATOM 50813 H1 TIP3 6743 30.629 82.726 18.876 1.00 0.00 WT4 H ATOM 50814 H2 TIP3 6743 31.898 82.134 19.451 1.00 0.00 WT4 H ATOM 50815 OH2 TIP3 6745 81.949 55.589 50.364 1.00 0.00 WT4 O ATOM 50816 H1 TIP3 6745 82.774 55.225 50.686 1.00 0.00 WT4 H ATOM 50817 H2 TIP3 6745 81.998 55.490 49.413 1.00 0.00 WT4 H ATOM 50818 OH2 TIP3 6750 72.754 13.952 -4.128 1.00 0.00 WT4 O ATOM 50819 H1 TIP3 6750 72.643 14.103 -3.189 1.00 0.00 WT4 H ATOM 50820 H2 TIP3 6750 71.944 14.276 -4.521 1.00 0.00 WT4 H ATOM 50821 OH2 TIP3 6762 65.022 70.150 -4.986 1.00 0.00 WT4 O ATOM 50822 H1 TIP3 6762 64.116 69.866 -4.868 1.00 0.00 WT4 H ATOM 50823 H2 TIP3 6762 64.975 71.106 -4.994 1.00 0.00 WT4 H ATOM 50824 OH2 TIP3 6763 89.268 9.145 -14.314 1.00 0.00 WT4 O ATOM 50825 H1 TIP3 6763 89.921 9.351 -13.645 1.00 0.00 WT4 H ATOM 50826 H2 TIP3 6763 88.530 9.721 -14.115 1.00 0.00 WT4 H ATOM 50827 OH2 TIP3 6765 35.644 88.379 -18.059 1.00 0.00 WT4 O ATOM 50828 H1 TIP3 6765 36.217 88.831 -18.677 1.00 0.00 WT4 H ATOM 50829 H2 TIP3 6765 36.027 87.506 -17.970 1.00 0.00 WT4 H ATOM 50830 OH2 TIP3 6767 89.909 75.877 18.654 1.00 0.00 WT4 O ATOM 50831 H1 TIP3 6767 90.227 74.982 18.775 1.00 0.00 WT4 H ATOM 50832 H2 TIP3 6767 89.131 75.931 19.209 1.00 0.00 WT4 H ATOM 50833 OH2 TIP3 6769 56.646 83.475 20.974 1.00 0.00 WT4 O ATOM 50834 H1 TIP3 6769 55.742 83.162 20.946 1.00 0.00 WT4 H ATOM 50835 H2 TIP3 6769 57.165 82.694 21.167 1.00 0.00 WT4 H ATOM 50836 OH2 TIP3 6770 57.562 38.346 42.264 1.00 0.00 WT4 O ATOM 50837 H1 TIP3 6770 57.305 38.536 41.362 1.00 0.00 WT4 H ATOM 50838 H2 TIP3 6770 57.874 39.183 42.607 1.00 0.00 WT4 H ATOM 50839 OH2 TIP3 6771 90.336 92.514 -0.253 1.00 0.00 WT4 O ATOM 50840 H1 TIP3 6771 90.121 91.714 0.227 1.00 0.00 WT4 H ATOM 50841 H2 TIP3 6771 90.929 92.990 0.329 1.00 0.00 WT4 H ATOM 50842 OH2 TIP3 6786 71.214 53.551 31.261 1.00 0.00 WT4 O ATOM 50843 H1 TIP3 6786 71.421 52.915 30.577 1.00 0.00 WT4 H ATOM 50844 H2 TIP3 6786 70.257 53.589 31.271 1.00 0.00 WT4 H ATOM 50845 OH2 TIP3 6788 80.353 5.293 43.487 1.00 0.00 WT4 O ATOM 50846 H1 TIP3 6788 81.122 4.745 43.639 1.00 0.00 WT4 H ATOM 50847 H2 TIP3 6788 80.007 4.994 42.647 1.00 0.00 WT4 H ATOM 50848 OH2 TIP3 6791 28.624 1.445 53.553 1.00 0.00 WT4 O ATOM 50849 H1 TIP3 6791 29.491 1.051 53.646 1.00 0.00 WT4 H ATOM 50850 H2 TIP3 6791 28.633 2.191 54.153 1.00 0.00 WT4 H ATOM 50851 OH2 TIP3 6792 37.290 30.684 -10.069 1.00 0.00 WT4 O ATOM 50852 H1 TIP3 6792 37.405 31.619 -9.899 1.00 0.00 WT4 H ATOM 50853 H2 TIP3 6792 38.157 30.305 -9.929 1.00 0.00 WT4 H ATOM 50854 OH2 TIP3 6803 24.914 33.870 19.075 1.00 0.00 WT4 O ATOM 50855 H1 TIP3 6803 24.472 34.717 19.131 1.00 0.00 WT4 H ATOM 50856 H2 TIP3 6803 25.767 34.070 18.691 1.00 0.00 WT4 H ATOM 50857 OH2 TIP3 6813 65.570 59.749 -10.165 1.00 0.00 WT4 O ATOM 50858 H1 TIP3 6813 64.973 59.003 -10.212 1.00 0.00 WT4 H ATOM 50859 H2 TIP3 6813 65.333 60.194 -9.351 1.00 0.00 WT4 H ATOM 50860 OH2 TIP3 6825 88.344 1.928 4.977 1.00 0.00 WT4 O ATOM 50861 H1 TIP3 6825 88.440 2.863 4.793 1.00 0.00 WT4 H ATOM 50862 H2 TIP3 6825 87.777 1.892 5.748 1.00 0.00 WT4 H ATOM 50863 OH2 TIP3 6826 45.203 0.748 -8.216 1.00 0.00 WT4 O ATOM 50864 H1 TIP3 6826 44.728 0.344 -7.490 1.00 0.00 WT4 H ATOM 50865 H2 TIP3 6826 46.086 0.382 -8.158 1.00 0.00 WT4 H ATOM 50866 OH2 TIP3 6827 81.067 87.239 -3.320 1.00 0.00 WT4 O ATOM 50867 H1 TIP3 6827 82.022 87.265 -3.266 1.00 0.00 WT4 H ATOM 50868 H2 TIP3 6827 80.802 86.656 -2.609 1.00 0.00 WT4 H ATOM 50869 OH2 TIP3 6853 42.033 0.021 23.889 1.00 0.00 WT4 O ATOM 50870 H1 TIP3 6853 42.118 -0.008 22.936 1.00 0.00 WT4 H ATOM 50871 H2 TIP3 6853 41.331 0.651 24.048 1.00 0.00 WT4 H ATOM 50872 OH2 TIP3 6855 86.893 9.621 40.801 1.00 0.00 WT4 O ATOM 50873 H1 TIP3 6855 86.029 9.868 41.130 1.00 0.00 WT4 H ATOM 50874 H2 TIP3 6855 87.321 9.198 41.545 1.00 0.00 WT4 H ATOM 50875 OH2 TIP3 6872 31.820 71.575 54.562 1.00 0.00 WT4 O ATOM 50876 H1 TIP3 6872 32.002 70.983 53.832 1.00 0.00 WT4 H ATOM 50877 H2 TIP3 6872 32.581 72.155 54.596 1.00 0.00 WT4 H ATOM 50878 OH2 TIP3 6896 66.405 57.612 25.344 1.00 0.00 WT4 O ATOM 50879 H1 TIP3 6896 65.608 57.083 25.368 1.00 0.00 WT4 H ATOM 50880 H2 TIP3 6896 66.324 58.132 24.545 1.00 0.00 WT4 H ATOM 50881 OH2 TIP3 6916 83.851 38.842 47.163 1.00 0.00 WT4 O ATOM 50882 H1 TIP3 6916 84.771 38.815 47.426 1.00 0.00 WT4 H ATOM 50883 H2 TIP3 6916 83.852 38.542 46.254 1.00 0.00 WT4 H ATOM 50884 OH2 TIP3 6952 46.935 88.661 59.501 1.00 0.00 WT4 O ATOM 50885 H1 TIP3 6952 47.377 88.126 58.842 1.00 0.00 WT4 H ATOM 50886 H2 TIP3 6952 46.452 89.314 58.995 1.00 0.00 WT4 H ATOM 50887 OH2 TIP3 6953 37.772 13.413 45.219 1.00 0.00 WT4 O ATOM 50888 H1 TIP3 6953 37.884 13.692 44.310 1.00 0.00 WT4 H ATOM 50889 H2 TIP3 6953 38.583 12.950 45.429 1.00 0.00 WT4 H ATOM 50890 OH2 TIP3 6955 43.103 71.484 11.578 1.00 0.00 WT4 O ATOM 50891 H1 TIP3 6955 43.802 71.039 11.099 1.00 0.00 WT4 H ATOM 50892 H2 TIP3 6955 43.240 71.233 12.492 1.00 0.00 WT4 H ATOM 50893 OH2 TIP3 6975 28.507 82.366 48.603 1.00 0.00 WT4 O ATOM 50894 H1 TIP3 6975 28.870 81.541 48.281 1.00 0.00 WT4 H ATOM 50895 H2 TIP3 6975 29.173 82.703 49.202 1.00 0.00 WT4 H ATOM 50896 OH2 TIP3 7017 86.967 87.728 23.671 1.00 0.00 WT4 O ATOM 50897 H1 TIP3 7017 86.309 88.301 24.065 1.00 0.00 WT4 H ATOM 50898 H2 TIP3 7017 87.674 88.318 23.411 1.00 0.00 WT4 H ATOM 50899 OH2 TIP3 7019 71.584 73.024 49.087 1.00 0.00 WT4 O ATOM 50900 H1 TIP3 7019 71.536 73.148 48.139 1.00 0.00 WT4 H ATOM 50901 H2 TIP3 7019 70.820 72.487 49.298 1.00 0.00 WT4 H ATOM 50902 OH2 TIP3 7020 88.388 65.149 14.156 1.00 0.00 WT4 O ATOM 50903 H1 TIP3 7020 88.633 64.315 13.756 1.00 0.00 WT4 H ATOM 50904 H2 TIP3 7020 88.748 65.812 13.567 1.00 0.00 WT4 H ATOM 50905 OH2 TIP3 7021 49.346 5.778 15.255 1.00 0.00 WT4 O ATOM 50906 H1 TIP3 7021 48.764 5.965 15.992 1.00 0.00 WT4 H ATOM 50907 H2 TIP3 7021 48.914 6.180 14.501 1.00 0.00 WT4 H ATOM 50908 OH2 TIP3 7023 74.200 58.715 0.027 1.00 0.00 WT4 O ATOM 50909 H1 TIP3 7023 74.768 59.141 0.669 1.00 0.00 WT4 H ATOM 50910 H2 TIP3 7023 73.319 58.800 0.392 1.00 0.00 WT4 H ATOM 50911 OH2 TIP3 7040 58.927 89.220 59.535 1.00 0.00 WT4 O ATOM 50912 H1 TIP3 7040 59.220 89.556 58.688 1.00 0.00 WT4 H ATOM 50913 H2 TIP3 7040 58.483 88.398 59.327 1.00 0.00 WT4 H ATOM 50914 OH2 TIP3 7041 37.945 9.073 57.310 1.00 0.00 WT4 O ATOM 50915 H1 TIP3 7041 37.597 8.530 58.018 1.00 0.00 WT4 H ATOM 50916 H2 TIP3 7041 37.198 9.596 57.019 1.00 0.00 WT4 H ATOM 50917 OH2 TIP3 7042 83.049 61.209 58.286 1.00 0.00 WT4 O ATOM 50918 H1 TIP3 7042 83.796 60.715 57.949 1.00 0.00 WT4 H ATOM 50919 H2 TIP3 7042 82.501 60.552 58.716 1.00 0.00 WT4 H ATOM 50920 OH2 TIP3 7043 36.724 12.923 5.542 1.00 0.00 WT4 O ATOM 50921 H1 TIP3 7043 36.746 13.864 5.369 1.00 0.00 WT4 H ATOM 50922 H2 TIP3 7043 35.838 12.655 5.297 1.00 0.00 WT4 H ATOM 50923 OH2 TIP3 7052 36.986 47.818 10.551 1.00 0.00 WT4 O ATOM 50924 H1 TIP3 7052 36.151 47.716 11.008 1.00 0.00 WT4 H ATOM 50925 H2 TIP3 7052 37.547 48.276 11.176 1.00 0.00 WT4 H ATOM 50926 OH2 TIP3 7058 31.549 52.766 59.998 1.00 0.00 WT4 O ATOM 50927 H1 TIP3 7058 32.312 53.043 59.491 1.00 0.00 WT4 H ATOM 50928 H2 TIP3 7058 31.615 53.257 60.818 1.00 0.00 WT4 H ATOM 50929 OH2 TIP3 7059 58.657 24.469 62.657 1.00 0.00 WT4 O ATOM 50930 H1 TIP3 7059 57.722 24.321 62.517 1.00 0.00 WT4 H ATOM 50931 H2 TIP3 7059 58.751 25.422 62.663 1.00 0.00 WT4 H ATOM 50932 OH2 TIP3 7062 64.214 76.227 -2.362 1.00 0.00 WT4 O ATOM 50933 H1 TIP3 7062 63.634 76.810 -1.872 1.00 0.00 WT4 H ATOM 50934 H2 TIP3 7062 63.774 75.377 -2.339 1.00 0.00 WT4 H ATOM 50935 OH2 TIP3 7063 79.618 94.130 21.870 1.00 0.00 WT4 O ATOM 50936 H1 TIP3 7063 79.415 94.279 22.793 1.00 0.00 WT4 H ATOM 50937 H2 TIP3 7063 79.035 94.725 21.397 1.00 0.00 WT4 H ATOM 50938 OH2 TIP3 7065 60.443 7.908 53.065 1.00 0.00 WT4 O ATOM 50939 H1 TIP3 7065 60.009 7.515 52.307 1.00 0.00 WT4 H ATOM 50940 H2 TIP3 7065 61.352 7.618 52.999 1.00 0.00 WT4 H ATOM 50941 OH2 TIP3 7076 40.771 56.280 66.266 1.00 0.00 WT4 O ATOM 50942 H1 TIP3 7076 40.095 56.278 65.588 1.00 0.00 WT4 H ATOM 50943 H2 TIP3 7076 41.563 56.570 65.814 1.00 0.00 WT4 H ATOM 50944 OH2 TIP3 7078 53.393 1.199 65.478 1.00 0.00 WT4 O ATOM 50945 H1 TIP3 7078 52.723 1.234 66.161 1.00 0.00 WT4 H ATOM 50946 H2 TIP3 7078 52.948 1.512 64.690 1.00 0.00 WT4 H ATOM 50947 OH2 TIP3 7081 26.034 85.107 51.945 1.00 0.00 WT4 O ATOM 50948 H1 TIP3 7081 26.643 84.521 52.395 1.00 0.00 WT4 H ATOM 50949 H2 TIP3 7081 25.173 84.713 52.087 1.00 0.00 WT4 H ATOM 50950 OH2 TIP3 7100 89.813 89.772 23.871 1.00 0.00 WT4 O ATOM 50951 H1 TIP3 7100 89.208 89.805 24.612 1.00 0.00 WT4 H ATOM 50952 H2 TIP3 7100 89.284 90.036 23.118 1.00 0.00 WT4 H ATOM 50953 OH2 TIP3 7101 69.820 21.648 67.142 1.00 0.00 WT4 O ATOM 50954 H1 TIP3 7101 70.376 22.310 66.731 1.00 0.00 WT4 H ATOM 50955 H2 TIP3 7101 68.945 21.819 66.792 1.00 0.00 WT4 H ATOM 50956 OH2 TIP3 7102 29.552 31.489 3.488 1.00 0.00 WT4 O ATOM 50957 H1 TIP3 7102 29.069 30.706 3.227 1.00 0.00 WT4 H ATOM 50958 H2 TIP3 7102 29.060 32.215 3.104 1.00 0.00 WT4 H ATOM 50959 OH2 TIP3 7104 85.840 95.772 -18.295 1.00 0.00 WT4 O ATOM 50960 H1 TIP3 7104 86.486 95.597 -18.980 1.00 0.00 WT4 H ATOM 50961 H2 TIP3 7104 86.137 96.586 -17.888 1.00 0.00 WT4 H ATOM 50962 OH2 TIP3 7121 30.005 60.733 65.661 1.00 0.00 WT4 O ATOM 50963 H1 TIP3 7121 29.273 60.428 66.197 1.00 0.00 WT4 H ATOM 50964 H2 TIP3 7121 30.271 61.559 66.064 1.00 0.00 WT4 H ATOM 50965 OH2 TIP3 7122 21.386 25.864 39.177 1.00 0.00 WT4 O ATOM 50966 H1 TIP3 7122 20.733 25.618 38.523 1.00 0.00 WT4 H ATOM 50967 H2 TIP3 7122 21.099 26.721 39.493 1.00 0.00 WT4 H ATOM 50968 OH2 TIP3 7123 47.429 92.532 49.440 1.00 0.00 WT4 O ATOM 50969 H1 TIP3 7123 48.207 92.056 49.729 1.00 0.00 WT4 H ATOM 50970 H2 TIP3 7123 46.695 92.025 49.786 1.00 0.00 WT4 H ATOM 50971 OH2 TIP3 7128 89.383 76.428 -4.674 1.00 0.00 WT4 O ATOM 50972 H1 TIP3 7128 89.161 76.099 -3.803 1.00 0.00 WT4 H ATOM 50973 H2 TIP3 7128 89.049 77.325 -4.684 1.00 0.00 WT4 H ATOM 50974 OH2 TIP3 7141 79.585 71.224 -2.831 1.00 0.00 WT4 O ATOM 50975 H1 TIP3 7141 79.703 72.090 -3.222 1.00 0.00 WT4 H ATOM 50976 H2 TIP3 7141 79.009 71.374 -2.083 1.00 0.00 WT4 H ATOM 50977 OH2 TIP3 7142 87.559 7.188 -15.618 1.00 0.00 WT4 O ATOM 50978 H1 TIP3 7142 88.225 7.023 -14.950 1.00 0.00 WT4 H ATOM 50979 H2 TIP3 7142 88.035 7.612 -16.332 1.00 0.00 WT4 H ATOM 50980 OH2 TIP3 7143 52.631 13.475 14.160 1.00 0.00 WT4 O ATOM 50981 H1 TIP3 7143 53.416 13.536 13.617 1.00 0.00 WT4 H ATOM 50982 H2 TIP3 7143 52.946 13.609 15.054 1.00 0.00 WT4 H ATOM 50983 OH2 TIP3 7144 44.905 84.341 10.360 1.00 0.00 WT4 O ATOM 50984 H1 TIP3 7144 45.642 84.236 10.961 1.00 0.00 WT4 H ATOM 50985 H2 TIP3 7144 45.234 84.022 9.519 1.00 0.00 WT4 H ATOM 50986 OH2 TIP3 7145 52.018 67.577 -4.568 1.00 0.00 WT4 O ATOM 50987 H1 TIP3 7145 52.568 68.360 -4.550 1.00 0.00 WT4 H ATOM 50988 H2 TIP3 7145 51.309 67.767 -3.954 1.00 0.00 WT4 H ATOM 50989 OH2 TIP3 7146 59.545 82.751 27.077 1.00 0.00 WT4 O ATOM 50990 H1 TIP3 7146 58.794 82.169 26.962 1.00 0.00 WT4 H ATOM 50991 H2 TIP3 7146 60.224 82.383 26.512 1.00 0.00 WT4 H ATOM 50992 OH2 TIP3 7147 56.827 89.989 15.889 1.00 0.00 WT4 O ATOM 50993 H1 TIP3 7147 57.484 89.304 16.012 1.00 0.00 WT4 H ATOM 50994 H2 TIP3 7147 57.093 90.687 16.488 1.00 0.00 WT4 H ATOM 50995 OH2 TIP3 7148 22.857 81.960 43.858 1.00 0.00 WT4 O ATOM 50996 H1 TIP3 7148 23.225 82.093 42.984 1.00 0.00 WT4 H ATOM 50997 H2 TIP3 7148 22.030 82.442 43.845 1.00 0.00 WT4 H ATOM 50998 OH2 TIP3 7161 88.606 61.854 -18.835 1.00 0.00 WT4 O ATOM 50999 H1 TIP3 7161 88.904 60.951 -18.950 1.00 0.00 WT4 H ATOM 51000 H2 TIP3 7161 88.260 62.103 -19.691 1.00 0.00 WT4 H ATOM 51001 OH2 TIP3 7166 30.226 69.915 -10.168 1.00 0.00 WT4 O ATOM 51002 H1 TIP3 7166 30.711 69.275 -10.689 1.00 0.00 WT4 H ATOM 51003 H2 TIP3 7166 29.376 69.985 -10.604 1.00 0.00 WT4 H ATOM 51004 OH2 TIP3 7181 71.775 68.105 14.476 1.00 0.00 WT4 O ATOM 51005 H1 TIP3 7181 71.901 67.156 14.490 1.00 0.00 WT4 H ATOM 51006 H2 TIP3 7181 71.320 68.299 15.295 1.00 0.00 WT4 H ATOM 51007 OH2 TIP3 7182 38.782 64.384 -2.249 1.00 0.00 WT4 O ATOM 51008 H1 TIP3 7182 38.704 63.924 -3.085 1.00 0.00 WT4 H ATOM 51009 H2 TIP3 7182 38.511 65.281 -2.443 1.00 0.00 WT4 H ATOM 51010 OH2 TIP3 7183 38.732 1.863 -8.768 1.00 0.00 WT4 O ATOM 51011 H1 TIP3 7183 39.652 2.081 -8.616 1.00 0.00 WT4 H ATOM 51012 H2 TIP3 7183 38.497 1.291 -8.038 1.00 0.00 WT4 H ATOM 51013 OH2 TIP3 7184 46.234 6.110 -14.833 1.00 0.00 WT4 O ATOM 51014 H1 TIP3 7184 46.149 6.123 -15.787 1.00 0.00 WT4 H ATOM 51015 H2 TIP3 7184 46.177 7.030 -14.575 1.00 0.00 WT4 H ATOM 51016 OH2 TIP3 7185 76.296 62.587 35.940 1.00 0.00 WT4 O ATOM 51017 H1 TIP3 7185 75.562 62.230 36.439 1.00 0.00 WT4 H ATOM 51018 H2 TIP3 7185 76.202 63.536 36.020 1.00 0.00 WT4 H ATOM 51019 OH2 TIP3 7186 62.346 11.668 55.778 1.00 0.00 WT4 O ATOM 51020 H1 TIP3 7186 61.876 10.857 55.971 1.00 0.00 WT4 H ATOM 51021 H2 TIP3 7186 62.535 11.618 54.840 1.00 0.00 WT4 H ATOM 51022 OH2 TIP3 7187 72.533 65.605 -15.755 1.00 0.00 WT4 O ATOM 51023 H1 TIP3 7187 72.430 66.520 -15.494 1.00 0.00 WT4 H ATOM 51024 H2 TIP3 7187 71.980 65.512 -16.531 1.00 0.00 WT4 H ATOM 51025 OH2 TIP3 7189 58.401 91.807 52.721 1.00 0.00 WT4 O ATOM 51026 H1 TIP3 7189 58.795 91.988 51.868 1.00 0.00 WT4 H ATOM 51027 H2 TIP3 7189 58.189 90.874 52.694 1.00 0.00 WT4 H ATOM 51028 OH2 TIP3 7200 57.485 88.648 19.072 1.00 0.00 WT4 O ATOM 51029 H1 TIP3 7200 56.907 89.378 19.296 1.00 0.00 WT4 H ATOM 51030 H2 TIP3 7200 58.144 88.642 19.767 1.00 0.00 WT4 H ATOM 51031 OH2 TIP3 7203 90.583 58.369 -4.766 1.00 0.00 WT4 O ATOM 51032 H1 TIP3 7203 89.701 58.567 -4.451 1.00 0.00 WT4 H ATOM 51033 H2 TIP3 7203 91.162 58.855 -4.178 1.00 0.00 WT4 H ATOM 51034 OH2 TIP3 7206 37.096 7.582 31.385 1.00 0.00 WT4 O ATOM 51035 H1 TIP3 7206 36.592 7.764 30.592 1.00 0.00 WT4 H ATOM 51036 H2 TIP3 7206 36.695 6.793 31.749 1.00 0.00 WT4 H ATOM 51037 OH2 TIP3 7209 24.778 89.324 28.780 1.00 0.00 WT4 O ATOM 51038 H1 TIP3 7209 24.676 88.441 28.424 1.00 0.00 WT4 H ATOM 51039 H2 TIP3 7209 24.611 89.903 28.036 1.00 0.00 WT4 H ATOM 51040 OH2 TIP3 7210 59.268 87.896 45.000 1.00 0.00 WT4 O ATOM 51041 H1 TIP3 7210 59.552 87.257 44.346 1.00 0.00 WT4 H ATOM 51042 H2 TIP3 7210 58.489 87.504 45.395 1.00 0.00 WT4 H ATOM 51043 OH2 TIP3 7211 35.034 42.491 -0.634 1.00 0.00 WT4 O ATOM 51044 H1 TIP3 7211 34.520 43.252 -0.362 1.00 0.00 WT4 H ATOM 51045 H2 TIP3 7211 35.220 42.647 -1.560 1.00 0.00 WT4 H ATOM 51046 OH2 TIP3 7213 83.550 8.798 -3.621 1.00 0.00 WT4 O ATOM 51047 H1 TIP3 7213 84.360 9.020 -4.080 1.00 0.00 WT4 H ATOM 51048 H2 TIP3 7213 83.627 9.236 -2.774 1.00 0.00 WT4 H ATOM 51049 OH2 TIP3 7222 61.495 26.302 -18.501 1.00 0.00 WT4 O ATOM 51050 H1 TIP3 7222 60.953 25.690 -19.000 1.00 0.00 WT4 H ATOM 51051 H2 TIP3 7222 61.024 26.420 -17.676 1.00 0.00 WT4 H ATOM 51052 OH2 TIP3 7227 30.003 2.862 -8.073 1.00 0.00 WT4 O ATOM 51053 H1 TIP3 7227 29.252 2.303 -7.871 1.00 0.00 WT4 H ATOM 51054 H2 TIP3 7227 30.210 2.664 -8.987 1.00 0.00 WT4 H ATOM 51055 OH2 TIP3 7228 79.987 74.426 58.411 1.00 0.00 WT4 O ATOM 51056 H1 TIP3 7228 80.794 73.912 58.423 1.00 0.00 WT4 H ATOM 51057 H2 TIP3 7228 79.855 74.646 57.489 1.00 0.00 WT4 H ATOM 51058 OH2 TIP3 7229 22.374 93.433 53.266 1.00 0.00 WT4 O ATOM 51059 H1 TIP3 7229 21.519 93.543 53.682 1.00 0.00 WT4 H ATOM 51060 H2 TIP3 7229 22.946 93.127 53.970 1.00 0.00 WT4 H ATOM 51061 OH2 TIP3 7230 79.916 71.531 2.287 1.00 0.00 WT4 O ATOM 51062 H1 TIP3 7230 79.928 71.563 3.244 1.00 0.00 WT4 H ATOM 51063 H2 TIP3 7230 79.513 70.689 2.080 1.00 0.00 WT4 H ATOM 51064 OH2 TIP3 7247 75.037 80.879 18.097 1.00 0.00 WT4 O ATOM 51065 H1 TIP3 7247 75.734 80.330 18.455 1.00 0.00 WT4 H ATOM 51066 H2 TIP3 7247 74.271 80.306 18.065 1.00 0.00 WT4 H ATOM 51067 OH2 TIP3 7248 49.209 14.386 -12.359 1.00 0.00 WT4 O ATOM 51068 H1 TIP3 7248 49.421 14.897 -11.578 1.00 0.00 WT4 H ATOM 51069 H2 TIP3 7248 49.270 15.013 -13.080 1.00 0.00 WT4 H ATOM 51070 OH2 TIP3 7249 31.925 9.081 -4.377 1.00 0.00 WT4 O ATOM 51071 H1 TIP3 7249 31.417 8.497 -3.814 1.00 0.00 WT4 H ATOM 51072 H2 TIP3 7249 32.831 8.957 -4.095 1.00 0.00 WT4 H ATOM 51073 OH2 TIP3 7250 27.879 75.962 65.805 1.00 0.00 WT4 O ATOM 51074 H1 TIP3 7250 28.659 75.529 65.457 1.00 0.00 WT4 H ATOM 51075 H2 TIP3 7250 27.849 75.698 66.724 1.00 0.00 WT4 H ATOM 51076 OH2 TIP3 7253 58.216 84.602 -16.942 1.00 0.00 WT4 O ATOM 51077 H1 TIP3 7253 59.012 85.076 -17.182 1.00 0.00 WT4 H ATOM 51078 H2 TIP3 7253 58.086 83.975 -17.654 1.00 0.00 WT4 H ATOM 51079 OH2 TIP3 7254 22.626 24.131 57.466 1.00 0.00 WT4 O ATOM 51080 H1 TIP3 7254 23.086 23.428 57.006 1.00 0.00 WT4 H ATOM 51081 H2 TIP3 7254 23.300 24.547 58.003 1.00 0.00 WT4 H ATOM 51082 OH2 TIP3 7264 36.509 11.303 35.080 1.00 0.00 WT4 O ATOM 51083 H1 TIP3 7264 36.252 10.517 34.597 1.00 0.00 WT4 H ATOM 51084 H2 TIP3 7264 35.767 11.482 35.657 1.00 0.00 WT4 H ATOM 51085 OH2 TIP3 7267 74.807 20.273 -13.881 1.00 0.00 WT4 O ATOM 51086 H1 TIP3 7267 75.760 20.275 -13.970 1.00 0.00 WT4 H ATOM 51087 H2 TIP3 7267 74.498 19.737 -14.612 1.00 0.00 WT4 H ATOM 51088 OH2 TIP3 7270 51.854 77.818 49.711 1.00 0.00 WT4 O ATOM 51089 H1 TIP3 7270 50.976 78.178 49.837 1.00 0.00 WT4 H ATOM 51090 H2 TIP3 7270 51.780 77.275 48.926 1.00 0.00 WT4 H ATOM 51091 OH2 TIP3 7311 60.782 85.643 66.258 1.00 0.00 WT4 O ATOM 51092 H1 TIP3 7311 60.026 85.212 65.861 1.00 0.00 WT4 H ATOM 51093 H2 TIP3 7311 61.195 86.117 65.536 1.00 0.00 WT4 H ATOM 51094 OH2 TIP3 7312 28.545 19.213 56.765 1.00 0.00 WT4 O ATOM 51095 H1 TIP3 7312 29.096 19.326 55.991 1.00 0.00 WT4 H ATOM 51096 H2 TIP3 7312 29.012 18.572 57.301 1.00 0.00 WT4 H ATOM 51097 OH2 TIP3 7415 76.278 66.983 47.156 1.00 0.00 WT4 O ATOM 51098 H1 TIP3 7415 76.145 66.838 46.219 1.00 0.00 WT4 H ATOM 51099 H2 TIP3 7415 76.584 67.888 47.217 1.00 0.00 WT4 H ATOM 51100 OH2 TIP3 7418 69.056 11.405 -12.034 1.00 0.00 WT4 O ATOM 51101 H1 TIP3 7418 68.363 11.666 -11.428 1.00 0.00 WT4 H ATOM 51102 H2 TIP3 7418 69.614 10.819 -11.523 1.00 0.00 WT4 H ATOM 51103 OH2 TIP3 7435 40.035 13.526 22.639 1.00 0.00 WT4 O ATOM 51104 H1 TIP3 7435 39.765 13.377 21.733 1.00 0.00 WT4 H ATOM 51105 H2 TIP3 7435 40.845 14.030 22.569 1.00 0.00 WT4 H ATOM 51106 OH2 TIP3 7437 69.311 93.913 -7.352 1.00 0.00 WT4 O ATOM 51107 H1 TIP3 7437 69.579 93.088 -7.756 1.00 0.00 WT4 H ATOM 51108 H2 TIP3 7437 68.653 94.270 -7.949 1.00 0.00 WT4 H ATOM 51109 OH2 TIP3 7439 35.308 2.840 48.995 1.00 0.00 WT4 O ATOM 51110 H1 TIP3 7439 36.094 2.685 48.471 1.00 0.00 WT4 H ATOM 51111 H2 TIP3 7439 35.354 3.767 49.229 1.00 0.00 WT4 H ATOM 51112 OH2 TIP3 7455 42.559 5.717 0.614 1.00 0.00 WT4 O ATOM 51113 H1 TIP3 7455 41.764 5.421 1.056 1.00 0.00 WT4 H ATOM 51114 H2 TIP3 7455 42.281 6.479 0.105 1.00 0.00 WT4 H ATOM 51115 OH2 TIP3 7461 81.445 48.735 47.528 1.00 0.00 WT4 O ATOM 51116 H1 TIP3 7461 80.910 48.513 46.766 1.00 0.00 WT4 H ATOM 51117 H2 TIP3 7461 82.229 48.193 47.436 1.00 0.00 WT4 H ATOM 51118 OH2 TIP3 7479 22.585 51.467 63.551 1.00 0.00 WT4 O ATOM 51119 H1 TIP3 7479 23.516 51.683 63.518 1.00 0.00 WT4 H ATOM 51120 H2 TIP3 7479 22.511 50.832 64.263 1.00 0.00 WT4 H ATOM 51121 OH2 TIP3 7480 88.264 59.948 54.561 1.00 0.00 WT4 O ATOM 51122 H1 TIP3 7480 87.380 60.314 54.601 1.00 0.00 WT4 H ATOM 51123 H2 TIP3 7480 88.225 59.164 55.109 1.00 0.00 WT4 H ATOM 51124 OH2 TIP3 7481 42.791 71.268 32.483 1.00 0.00 WT4 O ATOM 51125 H1 TIP3 7481 43.150 71.191 33.367 1.00 0.00 WT4 H ATOM 51126 H2 TIP3 7481 43.444 70.852 31.921 1.00 0.00 WT4 H ATOM 51127 OH2 TIP3 7493 85.930 68.345 47.745 1.00 0.00 WT4 O ATOM 51128 H1 TIP3 7493 85.332 67.599 47.704 1.00 0.00 WT4 H ATOM 51129 H2 TIP3 7493 86.532 68.209 47.013 1.00 0.00 WT4 H ATOM 51130 OH2 TIP3 7498 62.212 83.729 -18.573 1.00 0.00 WT4 O ATOM 51131 H1 TIP3 7498 62.604 84.247 -17.870 1.00 0.00 WT4 H ATOM 51132 H2 TIP3 7498 61.880 84.379 -19.193 1.00 0.00 WT4 H ATOM 51133 OH2 TIP3 7500 26.512 30.832 57.940 1.00 0.00 WT4 O ATOM 51134 H1 TIP3 7500 26.934 30.036 57.615 1.00 0.00 WT4 H ATOM 51135 H2 TIP3 7500 26.453 30.702 58.887 1.00 0.00 WT4 H ATOM 51136 OH2 TIP3 7501 23.158 55.480 63.772 1.00 0.00 WT4 O ATOM 51137 H1 TIP3 7501 23.676 54.913 63.201 1.00 0.00 WT4 H ATOM 51138 H2 TIP3 7501 22.851 54.901 64.470 1.00 0.00 WT4 H ATOM 51139 OH2 TIP3 7503 24.798 1.859 51.179 1.00 0.00 WT4 O ATOM 51140 H1 TIP3 7503 23.862 1.854 50.982 1.00 0.00 WT4 H ATOM 51141 H2 TIP3 7503 24.984 0.971 51.486 1.00 0.00 WT4 H ATOM 51142 OH2 TIP3 7504 67.370 91.186 -7.657 1.00 0.00 WT4 O ATOM 51143 H1 TIP3 7504 66.748 90.878 -8.316 1.00 0.00 WT4 H ATOM 51144 H2 TIP3 7504 66.964 91.973 -7.293 1.00 0.00 WT4 H ATOM 51145 OH2 TIP3 7510 88.706 43.096 53.373 1.00 0.00 WT4 O ATOM 51146 H1 TIP3 7510 88.313 43.946 53.572 1.00 0.00 WT4 H ATOM 51147 H2 TIP3 7510 88.623 42.597 54.186 1.00 0.00 WT4 H ATOM 51148 OH2 TIP3 7519 85.983 63.891 18.057 1.00 0.00 WT4 O ATOM 51149 H1 TIP3 7519 86.083 63.547 17.170 1.00 0.00 WT4 H ATOM 51150 H2 TIP3 7519 85.178 64.408 18.025 1.00 0.00 WT4 H ATOM 51151 OH2 TIP3 7522 73.745 87.172 5.556 1.00 0.00 WT4 O ATOM 51152 H1 TIP3 7522 74.402 86.665 6.034 1.00 0.00 WT4 H ATOM 51153 H2 TIP3 7522 73.581 86.664 4.762 1.00 0.00 WT4 H ATOM 51154 OH2 TIP3 7523 49.215 50.312 -18.872 1.00 0.00 WT4 O ATOM 51155 H1 TIP3 7523 48.697 49.917 -18.170 1.00 0.00 WT4 H ATOM 51156 H2 TIP3 7523 48.852 49.941 -19.676 1.00 0.00 WT4 H ATOM 51157 OH2 TIP3 7525 43.875 78.059 5.475 1.00 0.00 WT4 O ATOM 51158 H1 TIP3 7525 44.660 78.062 4.927 1.00 0.00 WT4 H ATOM 51159 H2 TIP3 7525 44.079 77.447 6.183 1.00 0.00 WT4 H ATOM 51160 OH2 TIP3 7526 60.689 45.234 4.301 1.00 0.00 WT4 O ATOM 51161 H1 TIP3 7526 60.276 45.740 5.002 1.00 0.00 WT4 H ATOM 51162 H2 TIP3 7526 60.409 44.332 4.460 1.00 0.00 WT4 H ATOM 51163 OH2 TIP3 7541 48.223 14.276 59.941 1.00 0.00 WT4 O ATOM 51164 H1 TIP3 7541 48.618 15.051 60.340 1.00 0.00 WT4 H ATOM 51165 H2 TIP3 7541 48.476 14.325 59.019 1.00 0.00 WT4 H ATOM 51166 OH2 TIP3 7544 69.982 7.884 -5.613 1.00 0.00 WT4 O ATOM 51167 H1 TIP3 7544 69.324 8.273 -5.037 1.00 0.00 WT4 H ATOM 51168 H2 TIP3 7544 69.633 8.010 -6.496 1.00 0.00 WT4 H ATOM 51169 OH2 TIP3 7545 68.899 63.645 16.874 1.00 0.00 WT4 O ATOM 51170 H1 TIP3 7545 69.632 63.153 16.506 1.00 0.00 WT4 H ATOM 51171 H2 TIP3 7545 68.540 63.071 17.550 1.00 0.00 WT4 H ATOM 51172 OH2 TIP3 7559 82.353 27.166 41.523 1.00 0.00 WT4 O ATOM 51173 H1 TIP3 7559 82.147 27.132 40.589 1.00 0.00 WT4 H ATOM 51174 H2 TIP3 7559 81.521 26.979 41.959 1.00 0.00 WT4 H ATOM 51175 OH2 TIP3 7561 23.227 47.023 23.280 1.00 0.00 WT4 O ATOM 51176 H1 TIP3 7561 23.242 47.687 23.969 1.00 0.00 WT4 H ATOM 51177 H2 TIP3 7561 23.093 47.519 22.472 1.00 0.00 WT4 H ATOM 51178 OH2 TIP3 7563 72.800 61.945 22.466 1.00 0.00 WT4 O ATOM 51179 H1 TIP3 7563 73.744 61.917 22.620 1.00 0.00 WT4 H ATOM 51180 H2 TIP3 7563 72.411 61.788 23.326 1.00 0.00 WT4 H ATOM 51181 OH2 TIP3 7564 62.738 88.038 -18.499 1.00 0.00 WT4 O ATOM 51182 H1 TIP3 7564 63.564 87.600 -18.295 1.00 0.00 WT4 H ATOM 51183 H2 TIP3 7564 62.761 88.162 -19.448 1.00 0.00 WT4 H ATOM 51184 OH2 TIP3 7567 33.119 85.807 -9.776 1.00 0.00 WT4 O ATOM 51185 H1 TIP3 7567 33.718 86.339 -9.253 1.00 0.00 WT4 H ATOM 51186 H2 TIP3 7567 33.577 84.975 -9.893 1.00 0.00 WT4 H ATOM 51187 OH2 TIP3 7582 72.621 39.084 -17.644 1.00 0.00 WT4 O ATOM 51188 H1 TIP3 7582 72.948 38.301 -18.086 1.00 0.00 WT4 H ATOM 51189 H2 TIP3 7582 73.337 39.715 -17.712 1.00 0.00 WT4 H ATOM 51190 OH2 TIP3 7584 76.810 83.618 50.435 1.00 0.00 WT4 O ATOM 51191 H1 TIP3 7584 76.699 82.728 50.771 1.00 0.00 WT4 H ATOM 51192 H2 TIP3 7584 76.017 83.782 49.925 1.00 0.00 WT4 H ATOM 51193 OH2 TIP3 7586 35.990 18.018 27.361 1.00 0.00 WT4 O ATOM 51194 H1 TIP3 7586 35.348 18.578 26.924 1.00 0.00 WT4 H ATOM 51195 H2 TIP3 7586 36.638 18.628 27.715 1.00 0.00 WT4 H ATOM 51196 OH2 TIP3 7594 32.903 57.959 39.034 1.00 0.00 WT4 O ATOM 51197 H1 TIP3 7594 32.679 58.172 38.128 1.00 0.00 WT4 H ATOM 51198 H2 TIP3 7594 33.804 57.639 38.991 1.00 0.00 WT4 H ATOM 51199 OH2 TIP3 7602 62.386 36.574 31.022 1.00 0.00 WT4 O ATOM 51200 H1 TIP3 7602 61.551 37.041 31.021 1.00 0.00 WT4 H ATOM 51201 H2 TIP3 7602 62.825 36.865 30.223 1.00 0.00 WT4 H ATOM 51202 OH2 TIP3 7605 71.300 19.829 -18.629 1.00 0.00 WT4 O ATOM 51203 H1 TIP3 7605 71.316 19.869 -17.673 1.00 0.00 WT4 H ATOM 51204 H2 TIP3 7605 70.626 20.459 -18.884 1.00 0.00 WT4 H ATOM 51205 OH2 TIP3 7608 78.132 34.643 66.667 1.00 0.00 WT4 O ATOM 51206 H1 TIP3 7608 78.691 34.627 67.445 1.00 0.00 WT4 H ATOM 51207 H2 TIP3 7608 77.274 34.913 66.994 1.00 0.00 WT4 H ATOM 51208 OH2 TIP3 7612 27.678 74.688 -18.605 1.00 0.00 WT4 O ATOM 51209 H1 TIP3 7612 27.287 74.350 -17.799 1.00 0.00 WT4 H ATOM 51210 H2 TIP3 7612 27.338 74.116 -19.294 1.00 0.00 WT4 H ATOM 51211 OH2 TIP3 7625 22.109 58.041 4.313 1.00 0.00 WT4 O ATOM 51212 H1 TIP3 7625 21.346 58.277 3.786 1.00 0.00 WT4 H ATOM 51213 H2 TIP3 7625 22.141 57.085 4.274 1.00 0.00 WT4 H ATOM 51214 OH2 TIP3 7626 77.545 89.619 59.138 1.00 0.00 WT4 O ATOM 51215 H1 TIP3 7626 77.197 88.895 58.616 1.00 0.00 WT4 H ATOM 51216 H2 TIP3 7626 77.851 89.207 59.946 1.00 0.00 WT4 H ATOM 51217 OH2 TIP3 7628 90.294 13.450 6.019 1.00 0.00 WT4 O ATOM 51218 H1 TIP3 7628 90.321 13.330 6.969 1.00 0.00 WT4 H ATOM 51219 H2 TIP3 7628 90.422 14.390 5.892 1.00 0.00 WT4 H ATOM 51220 OH2 TIP3 7629 66.604 72.210 51.347 1.00 0.00 WT4 O ATOM 51221 H1 TIP3 7629 65.678 72.406 51.490 1.00 0.00 WT4 H ATOM 51222 H2 TIP3 7629 66.742 71.370 51.784 1.00 0.00 WT4 H ATOM 51223 OH2 TIP3 7630 90.395 30.498 -19.646 1.00 0.00 WT4 O ATOM 51224 H1 TIP3 7630 90.536 31.130 -18.942 1.00 0.00 WT4 H ATOM 51225 H2 TIP3 7630 89.731 29.900 -19.302 1.00 0.00 WT4 H ATOM 51226 OH2 TIP3 7631 60.393 93.818 38.935 1.00 0.00 WT4 O ATOM 51227 H1 TIP3 7631 60.477 93.291 39.729 1.00 0.00 WT4 H ATOM 51228 H2 TIP3 7631 61.150 94.403 38.954 1.00 0.00 WT4 H ATOM 51229 OH2 TIP3 7643 45.395 0.777 -4.472 1.00 0.00 WT4 O ATOM 51230 H1 TIP3 7643 46.213 0.401 -4.797 1.00 0.00 WT4 H ATOM 51231 H2 TIP3 7643 44.722 0.145 -4.727 1.00 0.00 WT4 H ATOM 51232 OH2 TIP3 7644 37.637 51.989 -4.205 1.00 0.00 WT4 O ATOM 51233 H1 TIP3 7644 38.171 52.731 -4.490 1.00 0.00 WT4 H ATOM 51234 H2 TIP3 7644 38.056 51.688 -3.399 1.00 0.00 WT4 H ATOM 51235 OH2 TIP3 7645 46.973 56.236 50.543 1.00 0.00 WT4 O ATOM 51236 H1 TIP3 7645 47.048 55.438 50.020 1.00 0.00 WT4 H ATOM 51237 H2 TIP3 7645 47.877 56.473 50.751 1.00 0.00 WT4 H ATOM 51238 OH2 TIP3 7646 60.509 82.037 58.844 1.00 0.00 WT4 O ATOM 51239 H1 TIP3 7646 59.570 82.207 58.921 1.00 0.00 WT4 H ATOM 51240 H2 TIP3 7646 60.663 81.963 57.903 1.00 0.00 WT4 H ATOM 51241 OH2 TIP3 7647 28.709 21.654 14.451 1.00 0.00 WT4 O ATOM 51242 H1 TIP3 7647 29.219 21.832 15.241 1.00 0.00 WT4 H ATOM 51243 H2 TIP3 7647 29.265 21.072 13.933 1.00 0.00 WT4 H ATOM 51244 OH2 TIP3 7649 68.087 28.544 65.684 1.00 0.00 WT4 O ATOM 51245 H1 TIP3 7649 68.444 29.425 65.576 1.00 0.00 WT4 H ATOM 51246 H2 TIP3 7649 67.143 28.652 65.572 1.00 0.00 WT4 H ATOM 51247 OH2 TIP3 7650 57.286 17.246 14.032 1.00 0.00 WT4 O ATOM 51248 H1 TIP3 7650 56.813 17.250 13.199 1.00 0.00 WT4 H ATOM 51249 H2 TIP3 7650 56.638 16.956 14.674 1.00 0.00 WT4 H ATOM 51250 OH2 TIP3 7652 65.007 74.008 64.531 1.00 0.00 WT4 O ATOM 51251 H1 TIP3 7652 64.351 73.609 63.959 1.00 0.00 WT4 H ATOM 51252 H2 TIP3 7652 65.556 74.526 63.943 1.00 0.00 WT4 H ATOM 51253 OH2 TIP3 7653 85.147 30.115 53.872 1.00 0.00 WT4 O ATOM 51254 H1 TIP3 7653 85.647 29.357 53.570 1.00 0.00 WT4 H ATOM 51255 H2 TIP3 7653 84.800 29.850 54.724 1.00 0.00 WT4 H ATOM 51256 OH2 TIP3 7663 68.229 11.347 66.453 1.00 0.00 WT4 O ATOM 51257 H1 TIP3 7663 68.105 10.423 66.235 1.00 0.00 WT4 H ATOM 51258 H2 TIP3 7663 67.407 11.608 66.868 1.00 0.00 WT4 H ATOM 51259 OH2 TIP3 7668 60.068 74.915 33.093 1.00 0.00 WT4 O ATOM 51260 H1 TIP3 7668 59.988 74.325 33.843 1.00 0.00 WT4 H ATOM 51261 H2 TIP3 7668 59.202 74.903 32.685 1.00 0.00 WT4 H ATOM 51262 OH2 TIP3 7669 38.053 81.259 64.214 1.00 0.00 WT4 O ATOM 51263 H1 TIP3 7669 37.171 81.454 64.532 1.00 0.00 WT4 H ATOM 51264 H2 TIP3 7669 38.023 80.333 63.975 1.00 0.00 WT4 H ATOM 51265 OH2 TIP3 7670 61.599 82.052 14.690 1.00 0.00 WT4 O ATOM 51266 H1 TIP3 7670 61.508 82.900 15.126 1.00 0.00 WT4 H ATOM 51267 H2 TIP3 7670 61.746 81.431 15.403 1.00 0.00 WT4 H ATOM 51268 OH2 TIP3 7671 24.935 94.626 26.926 1.00 0.00 WT4 O ATOM 51269 H1 TIP3 7671 25.506 95.174 27.465 1.00 0.00 WT4 H ATOM 51270 H2 TIP3 7671 24.372 95.247 26.464 1.00 0.00 WT4 H ATOM 51271 OH2 TIP3 7686 29.028 58.392 61.683 1.00 0.00 WT4 O ATOM 51272 H1 TIP3 7686 29.714 58.551 62.331 1.00 0.00 WT4 H ATOM 51273 H2 TIP3 7686 29.468 57.913 60.981 1.00 0.00 WT4 H ATOM 51274 OH2 TIP3 7690 30.482 84.413 46.094 1.00 0.00 WT4 O ATOM 51275 H1 TIP3 7690 29.574 84.299 46.377 1.00 0.00 WT4 H ATOM 51276 H2 TIP3 7690 30.930 83.627 46.404 1.00 0.00 WT4 H ATOM 51277 OH2 TIP3 7691 58.021 70.556 66.080 1.00 0.00 WT4 O ATOM 51278 H1 TIP3 7691 57.705 70.974 65.279 1.00 0.00 WT4 H ATOM 51279 H2 TIP3 7691 57.996 71.250 66.739 1.00 0.00 WT4 H ATOM 51280 OH2 TIP3 7694 75.595 80.610 59.708 1.00 0.00 WT4 O ATOM 51281 H1 TIP3 7694 75.087 81.056 60.385 1.00 0.00 WT4 H ATOM 51282 H2 TIP3 7694 75.486 81.155 58.928 1.00 0.00 WT4 H ATOM 51283 OH2 TIP3 7695 24.736 3.951 8.541 1.00 0.00 WT4 O ATOM 51284 H1 TIP3 7695 24.421 3.235 9.093 1.00 0.00 WT4 H ATOM 51285 H2 TIP3 7695 25.500 4.294 9.005 1.00 0.00 WT4 H ATOM 51286 OH2 TIP3 7696 38.036 94.252 31.543 1.00 0.00 WT4 O ATOM 51287 H1 TIP3 7696 37.113 94.433 31.362 1.00 0.00 WT4 H ATOM 51288 H2 TIP3 7696 38.504 95.000 31.172 1.00 0.00 WT4 H ATOM 51289 OH2 TIP3 7698 64.881 57.289 61.989 1.00 0.00 WT4 O ATOM 51290 H1 TIP3 7698 64.462 56.701 62.617 1.00 0.00 WT4 H ATOM 51291 H2 TIP3 7698 64.698 56.898 61.135 1.00 0.00 WT4 H ATOM 51292 OH2 TIP3 7705 73.556 91.906 64.468 1.00 0.00 WT4 O ATOM 51293 H1 TIP3 7705 73.624 92.153 65.391 1.00 0.00 WT4 H ATOM 51294 H2 TIP3 7705 73.780 92.703 63.989 1.00 0.00 WT4 H ATOM 51295 OH2 TIP3 7707 37.294 54.789 50.532 1.00 0.00 WT4 O ATOM 51296 H1 TIP3 7707 37.542 54.935 51.445 1.00 0.00 WT4 H ATOM 51297 H2 TIP3 7707 38.020 55.152 50.025 1.00 0.00 WT4 H ATOM 51298 OH2 TIP3 7708 56.002 92.004 28.965 1.00 0.00 WT4 O ATOM 51299 H1 TIP3 7708 56.862 92.203 29.337 1.00 0.00 WT4 H ATOM 51300 H2 TIP3 7708 56.195 91.566 28.137 1.00 0.00 WT4 H ATOM 51301 OH2 TIP3 7710 81.127 90.775 16.673 1.00 0.00 WT4 O ATOM 51302 H1 TIP3 7710 81.654 90.265 17.289 1.00 0.00 WT4 H ATOM 51303 H2 TIP3 7710 80.472 91.208 17.220 1.00 0.00 WT4 H ATOM 51304 OH2 TIP3 7712 47.737 38.441 52.363 1.00 0.00 WT4 O ATOM 51305 H1 TIP3 7712 48.069 39.055 51.708 1.00 0.00 WT4 H ATOM 51306 H2 TIP3 7712 47.852 37.579 51.964 1.00 0.00 WT4 H ATOM 51307 OH2 TIP3 7713 71.470 13.545 47.371 1.00 0.00 WT4 O ATOM 51308 H1 TIP3 7713 72.388 13.784 47.496 1.00 0.00 WT4 H ATOM 51309 H2 TIP3 7713 71.040 14.364 47.122 1.00 0.00 WT4 H ATOM 51310 OH2 TIP3 7716 25.284 89.924 -13.358 1.00 0.00 WT4 O ATOM 51311 H1 TIP3 7716 25.752 89.390 -14.001 1.00 0.00 WT4 H ATOM 51312 H2 TIP3 7716 25.812 89.858 -12.563 1.00 0.00 WT4 H ATOM 51313 OH2 TIP3 7734 67.940 9.719 7.426 1.00 0.00 WT4 O ATOM 51314 H1 TIP3 7734 68.584 9.078 7.728 1.00 0.00 WT4 H ATOM 51315 H2 TIP3 7734 67.542 10.057 8.228 1.00 0.00 WT4 H ATOM 51316 OH2 TIP3 7735 46.468 58.679 12.443 1.00 0.00 WT4 O ATOM 51317 H1 TIP3 7735 46.470 59.447 11.871 1.00 0.00 WT4 H ATOM 51318 H2 TIP3 7735 46.503 59.040 13.329 1.00 0.00 WT4 H ATOM 51319 OH2 TIP3 7757 64.398 71.734 13.884 1.00 0.00 WT4 O ATOM 51320 H1 TIP3 7757 64.501 71.698 12.933 1.00 0.00 WT4 H ATOM 51321 H2 TIP3 7757 64.532 70.831 14.173 1.00 0.00 WT4 H ATOM 51322 OH2 TIP3 7791 90.433 11.138 0.772 1.00 0.00 WT4 O ATOM 51323 H1 TIP3 7791 90.440 11.968 0.296 1.00 0.00 WT4 H ATOM 51324 H2 TIP3 7791 90.054 11.353 1.625 1.00 0.00 WT4 H ATOM 51325 OH2 TIP3 7872 63.232 84.357 12.906 1.00 0.00 WT4 O ATOM 51326 H1 TIP3 7872 62.474 83.804 12.719 1.00 0.00 WT4 H ATOM 51327 H2 TIP3 7872 63.941 83.739 13.087 1.00 0.00 WT4 H ATOM 51328 OH2 TIP3 7895 25.340 15.045 7.716 1.00 0.00 WT4 O ATOM 51329 H1 TIP3 7895 26.079 15.148 7.117 1.00 0.00 WT4 H ATOM 51330 H2 TIP3 7895 25.743 14.861 8.565 1.00 0.00 WT4 H ATOM 51331 OH2 TIP3 7922 89.935 57.237 43.934 1.00 0.00 WT4 O ATOM 51332 H1 TIP3 7922 90.091 57.731 43.129 1.00 0.00 WT4 H ATOM 51333 H2 TIP3 7922 90.738 56.732 44.065 1.00 0.00 WT4 H ATOM 51334 OH2 TIP3 7933 61.336 58.072 60.327 1.00 0.00 WT4 O ATOM 51335 H1 TIP3 7933 61.344 57.169 60.645 1.00 0.00 WT4 H ATOM 51336 H2 TIP3 7933 61.544 58.000 59.396 1.00 0.00 WT4 H ATOM 51337 OH2 TIP3 7938 84.481 54.142 28.748 1.00 0.00 WT4 O ATOM 51338 H1 TIP3 7938 83.748 54.651 28.402 1.00 0.00 WT4 H ATOM 51339 H2 TIP3 7938 85.235 54.728 28.677 1.00 0.00 WT4 H ATOM 51340 OH2 TIP3 7939 86.292 66.747 15.624 1.00 0.00 WT4 O ATOM 51341 H1 TIP3 7939 86.883 66.130 15.193 1.00 0.00 WT4 H ATOM 51342 H2 TIP3 7939 85.796 66.212 16.244 1.00 0.00 WT4 H ATOM 51343 OH2 TIP3 7941 65.703 34.663 34.120 1.00 0.00 WT4 O ATOM 51344 H1 TIP3 7941 65.207 35.480 34.064 1.00 0.00 WT4 H ATOM 51345 H2 TIP3 7941 65.963 34.478 33.218 1.00 0.00 WT4 H ATOM 51346 OH2 TIP3 7942 30.786 41.925 29.223 1.00 0.00 WT4 O ATOM 51347 H1 TIP3 7942 30.480 41.553 28.396 1.00 0.00 WT4 H ATOM 51348 H2 TIP3 7942 30.683 42.871 29.114 1.00 0.00 WT4 H ATOM 51349 OH2 TIP3 7947 63.191 78.772 -9.004 1.00 0.00 WT4 O ATOM 51350 H1 TIP3 7947 63.896 78.970 -8.387 1.00 0.00 WT4 H ATOM 51351 H2 TIP3 7947 62.503 78.382 -8.464 1.00 0.00 WT4 H ATOM 51352 OH2 TIP3 7949 30.227 36.982 -9.470 1.00 0.00 WT4 O ATOM 51353 H1 TIP3 7949 31.011 37.192 -9.977 1.00 0.00 WT4 H ATOM 51354 H2 TIP3 7949 29.978 37.810 -9.059 1.00 0.00 WT4 H ATOM 51355 OH2 TIP3 7961 81.183 49.625 59.736 1.00 0.00 WT4 O ATOM 51356 H1 TIP3 7961 81.284 50.486 59.329 1.00 0.00 WT4 H ATOM 51357 H2 TIP3 7961 81.033 49.813 60.662 1.00 0.00 WT4 H ATOM 51358 OH2 TIP3 7962 87.728 84.739 36.283 1.00 0.00 WT4 O ATOM 51359 H1 TIP3 7962 87.632 83.787 36.333 1.00 0.00 WT4 H ATOM 51360 H2 TIP3 7962 88.437 84.875 35.655 1.00 0.00 WT4 H ATOM 51361 OH2 TIP3 7963 31.356 58.427 52.542 1.00 0.00 WT4 O ATOM 51362 H1 TIP3 7963 31.142 59.292 52.890 1.00 0.00 WT4 H ATOM 51363 H2 TIP3 7963 32.268 58.285 52.796 1.00 0.00 WT4 H ATOM 51364 OH2 TIP3 7964 73.806 3.570 13.822 1.00 0.00 WT4 O ATOM 51365 H1 TIP3 7964 74.061 3.033 13.072 1.00 0.00 WT4 H ATOM 51366 H2 TIP3 7964 74.556 3.524 14.416 1.00 0.00 WT4 H ATOM 51367 OH2 TIP3 7965 33.320 51.517 64.102 1.00 0.00 WT4 O ATOM 51368 H1 TIP3 7965 32.440 51.477 64.476 1.00 0.00 WT4 H ATOM 51369 H2 TIP3 7965 33.661 52.367 64.380 1.00 0.00 WT4 H ATOM 51370 OH2 TIP3 7967 29.315 7.926 51.306 1.00 0.00 WT4 O ATOM 51371 H1 TIP3 7967 28.834 7.103 51.399 1.00 0.00 WT4 H ATOM 51372 H2 TIP3 7967 28.683 8.530 50.916 1.00 0.00 WT4 H ATOM 51373 OH2 TIP3 7969 22.036 76.787 22.241 1.00 0.00 WT4 O ATOM 51374 H1 TIP3 7969 22.379 76.348 23.021 1.00 0.00 WT4 H ATOM 51375 H2 TIP3 7969 21.419 77.434 22.582 1.00 0.00 WT4 H ATOM 51376 OH2 TIP3 7981 72.576 50.486 -1.533 1.00 0.00 WT4 O ATOM 51377 H1 TIP3 7981 72.716 50.633 -0.598 1.00 0.00 WT4 H ATOM 51378 H2 TIP3 7981 71.625 50.510 -1.641 1.00 0.00 WT4 H ATOM 51379 OH2 TIP3 7983 67.165 3.711 41.884 1.00 0.00 WT4 O ATOM 51380 H1 TIP3 7983 66.890 3.403 41.020 1.00 0.00 WT4 H ATOM 51381 H2 TIP3 7983 67.424 2.916 42.351 1.00 0.00 WT4 H ATOM 51382 OH2 TIP3 7984 26.557 65.249 41.409 1.00 0.00 WT4 O ATOM 51383 H1 TIP3 7984 27.239 65.559 40.814 1.00 0.00 WT4 H ATOM 51384 H2 TIP3 7984 26.313 64.389 41.068 1.00 0.00 WT4 H ATOM 51385 OH2 TIP3 7985 66.767 89.238 55.507 1.00 0.00 WT4 O ATOM 51386 H1 TIP3 7985 66.470 90.133 55.340 1.00 0.00 WT4 H ATOM 51387 H2 TIP3 7985 66.579 88.768 54.695 1.00 0.00 WT4 H ATOM 51388 OH2 TIP3 7986 70.162 49.051 59.999 1.00 0.00 WT4 O ATOM 51389 H1 TIP3 7986 69.716 49.330 60.799 1.00 0.00 WT4 H ATOM 51390 H2 TIP3 7986 70.202 49.840 59.459 1.00 0.00 WT4 H ATOM 51391 OH2 TIP3 7987 28.467 15.776 36.762 1.00 0.00 WT4 O ATOM 51392 H1 TIP3 7987 28.899 15.226 37.416 1.00 0.00 WT4 H ATOM 51393 H2 TIP3 7987 28.910 16.621 36.829 1.00 0.00 WT4 H ATOM 51394 OH2 TIP3 8003 74.491 72.903 25.345 1.00 0.00 WT4 O ATOM 51395 H1 TIP3 8003 73.780 73.381 24.917 1.00 0.00 WT4 H ATOM 51396 H2 TIP3 8003 74.050 72.225 25.858 1.00 0.00 WT4 H ATOM 51397 OH2 TIP3 8004 75.560 82.643 -3.270 1.00 0.00 WT4 O ATOM 51398 H1 TIP3 8004 75.589 82.563 -2.317 1.00 0.00 WT4 H ATOM 51399 H2 TIP3 8004 74.719 82.258 -3.518 1.00 0.00 WT4 H ATOM 51400 OH2 TIP3 8005 30.578 57.586 -7.202 1.00 0.00 WT4 O ATOM 51401 H1 TIP3 8005 29.691 57.943 -7.159 1.00 0.00 WT4 H ATOM 51402 H2 TIP3 8005 31.034 57.984 -6.461 1.00 0.00 WT4 H ATOM 51403 OH2 TIP3 8007 43.384 55.750 -0.885 1.00 0.00 WT4 O ATOM 51404 H1 TIP3 8007 42.793 55.228 -0.343 1.00 0.00 WT4 H ATOM 51405 H2 TIP3 8007 43.417 56.603 -0.451 1.00 0.00 WT4 H ATOM 51406 OH2 TIP3 8022 44.068 8.912 56.359 1.00 0.00 WT4 O ATOM 51407 H1 TIP3 8022 43.897 9.432 55.574 1.00 0.00 WT4 H ATOM 51408 H2 TIP3 8022 43.235 8.479 56.546 1.00 0.00 WT4 H ATOM 51409 OH2 TIP3 8024 64.502 95.511 32.803 1.00 0.00 WT4 O ATOM 51410 H1 TIP3 8024 64.196 95.880 33.631 1.00 0.00 WT4 H ATOM 51411 H2 TIP3 8024 63.702 95.346 32.303 1.00 0.00 WT4 H ATOM 51412 OH2 TIP3 8027 35.457 49.514 -16.242 1.00 0.00 WT4 O ATOM 51413 H1 TIP3 8027 35.664 49.828 -15.362 1.00 0.00 WT4 H ATOM 51414 H2 TIP3 8027 36.295 49.215 -16.595 1.00 0.00 WT4 H ATOM 51415 OH2 TIP3 8029 29.764 84.560 -12.993 1.00 0.00 WT4 O ATOM 51416 H1 TIP3 8029 30.131 85.190 -12.373 1.00 0.00 WT4 H ATOM 51417 H2 TIP3 8029 29.657 85.056 -13.805 1.00 0.00 WT4 H ATOM 51418 OH2 TIP3 8030 60.212 58.279 51.864 1.00 0.00 WT4 O ATOM 51419 H1 TIP3 8030 60.850 57.565 51.864 1.00 0.00 WT4 H ATOM 51420 H2 TIP3 8030 59.495 57.961 51.316 1.00 0.00 WT4 H ATOM 51421 OH2 TIP3 8040 72.074 38.856 0.506 1.00 0.00 WT4 O ATOM 51422 H1 TIP3 8040 71.829 38.569 1.385 1.00 0.00 WT4 H ATOM 51423 H2 TIP3 8040 72.940 39.249 0.615 1.00 0.00 WT4 H ATOM 51424 OH2 TIP3 8041 86.900 63.311 -7.819 1.00 0.00 WT4 O ATOM 51425 H1 TIP3 8041 87.440 63.934 -7.332 1.00 0.00 WT4 H ATOM 51426 H2 TIP3 8041 87.476 62.561 -7.970 1.00 0.00 WT4 H ATOM 51427 OH2 TIP3 8045 37.626 40.196 54.790 1.00 0.00 WT4 O ATOM 51428 H1 TIP3 8045 36.951 40.710 55.232 1.00 0.00 WT4 H ATOM 51429 H2 TIP3 8045 38.311 40.830 54.578 1.00 0.00 WT4 H ATOM 51430 OH2 TIP3 8046 38.583 64.710 53.913 1.00 0.00 WT4 O ATOM 51431 H1 TIP3 8046 38.138 64.942 54.728 1.00 0.00 WT4 H ATOM 51432 H2 TIP3 8046 39.515 64.764 54.125 1.00 0.00 WT4 H ATOM 51433 OH2 TIP3 8047 85.050 62.704 61.736 1.00 0.00 WT4 O ATOM 51434 H1 TIP3 8047 85.028 63.569 62.146 1.00 0.00 WT4 H ATOM 51435 H2 TIP3 8047 84.216 62.302 61.982 1.00 0.00 WT4 H ATOM 51436 OH2 TIP3 8052 78.353 13.501 48.390 1.00 0.00 WT4 O ATOM 51437 H1 TIP3 8052 78.563 14.335 48.809 1.00 0.00 WT4 H ATOM 51438 H2 TIP3 8052 79.140 13.275 47.895 1.00 0.00 WT4 H ATOM 51439 OH2 TIP3 8063 34.805 50.508 -13.056 1.00 0.00 WT4 O ATOM 51440 H1 TIP3 8063 34.632 51.116 -12.337 1.00 0.00 WT4 H ATOM 51441 H2 TIP3 8063 35.689 50.181 -12.887 1.00 0.00 WT4 H ATOM 51442 OH2 TIP3 8064 60.445 82.134 43.235 1.00 0.00 WT4 O ATOM 51443 H1 TIP3 8064 59.977 82.110 42.400 1.00 0.00 WT4 H ATOM 51444 H2 TIP3 8064 60.994 81.350 43.225 1.00 0.00 WT4 H ATOM 51445 OH2 TIP3 8067 24.804 95.427 44.066 1.00 0.00 WT4 O ATOM 51446 H1 TIP3 8067 25.157 95.671 44.921 1.00 0.00 WT4 H ATOM 51447 H2 TIP3 8067 25.261 95.995 43.446 1.00 0.00 WT4 H ATOM 51448 OH2 TIP3 8068 73.212 57.866 -16.805 1.00 0.00 WT4 O ATOM 51449 H1 TIP3 8068 73.826 57.477 -17.427 1.00 0.00 WT4 H ATOM 51450 H2 TIP3 8068 73.468 58.787 -16.758 1.00 0.00 WT4 H ATOM 51451 OH2 TIP3 8069 36.275 45.168 -6.416 1.00 0.00 WT4 O ATOM 51452 H1 TIP3 8069 37.094 45.615 -6.628 1.00 0.00 WT4 H ATOM 51453 H2 TIP3 8069 35.711 45.856 -6.061 1.00 0.00 WT4 H ATOM 51454 OH2 TIP3 8070 73.675 72.433 39.237 1.00 0.00 WT4 O ATOM 51455 H1 TIP3 8070 73.211 72.182 38.439 1.00 0.00 WT4 H ATOM 51456 H2 TIP3 8070 73.166 72.037 39.945 1.00 0.00 WT4 H ATOM 51457 OH2 TIP3 8071 79.509 87.769 17.462 1.00 0.00 WT4 O ATOM 51458 H1 TIP3 8071 79.257 87.251 18.226 1.00 0.00 WT4 H ATOM 51459 H2 TIP3 8071 80.152 88.394 17.796 1.00 0.00 WT4 H ATOM 51460 OH2 TIP3 8075 48.043 70.281 28.553 1.00 0.00 WT4 O ATOM 51461 H1 TIP3 8075 48.118 70.009 29.467 1.00 0.00 WT4 H ATOM 51462 H2 TIP3 8075 48.526 69.615 28.064 1.00 0.00 WT4 H ATOM 51463 OH2 TIP3 8084 70.699 68.664 49.842 1.00 0.00 WT4 O ATOM 51464 H1 TIP3 8084 70.677 69.459 49.310 1.00 0.00 WT4 H ATOM 51465 H2 TIP3 8084 69.785 68.509 50.081 1.00 0.00 WT4 H ATOM 51466 OH2 TIP3 8085 67.334 85.407 46.683 1.00 0.00 WT4 O ATOM 51467 H1 TIP3 8085 67.873 85.854 46.030 1.00 0.00 WT4 H ATOM 51468 H2 TIP3 8085 67.406 84.479 46.458 1.00 0.00 WT4 H ATOM 51469 OH2 TIP3 8087 78.565 69.582 43.962 1.00 0.00 WT4 O ATOM 51470 H1 TIP3 8087 78.975 69.299 43.144 1.00 0.00 WT4 H ATOM 51471 H2 TIP3 8087 78.698 70.529 43.982 1.00 0.00 WT4 H ATOM 51472 OH2 TIP3 8088 26.308 89.719 36.128 1.00 0.00 WT4 O ATOM 51473 H1 TIP3 8088 26.806 89.746 35.311 1.00 0.00 WT4 H ATOM 51474 H2 TIP3 8088 26.592 90.497 36.607 1.00 0.00 WT4 H ATOM 51475 OH2 TIP3 8089 62.997 10.707 -8.836 1.00 0.00 WT4 O ATOM 51476 H1 TIP3 8089 62.818 11.017 -9.723 1.00 0.00 WT4 H ATOM 51477 H2 TIP3 8089 62.282 10.100 -8.645 1.00 0.00 WT4 H ATOM 51478 OH2 TIP3 8091 74.076 82.367 65.717 1.00 0.00 WT4 O ATOM 51479 H1 TIP3 8091 74.017 83.103 66.325 1.00 0.00 WT4 H ATOM 51480 H2 TIP3 8091 75.014 82.191 65.643 1.00 0.00 WT4 H ATOM 51481 OH2 TIP3 8092 88.097 23.212 -2.428 1.00 0.00 WT4 O ATOM 51482 H1 TIP3 8092 87.748 22.564 -3.040 1.00 0.00 WT4 H ATOM 51483 H2 TIP3 8092 88.479 23.889 -2.987 1.00 0.00 WT4 H ATOM 51484 OH2 TIP3 8093 45.420 78.954 38.652 1.00 0.00 WT4 O ATOM 51485 H1 TIP3 8093 45.883 79.224 37.859 1.00 0.00 WT4 H ATOM 51486 H2 TIP3 8093 44.536 79.306 38.544 1.00 0.00 WT4 H ATOM 51487 OH2 TIP3 8095 72.872 82.657 -16.040 1.00 0.00 WT4 O ATOM 51488 H1 TIP3 8095 72.527 83.478 -16.391 1.00 0.00 WT4 H ATOM 51489 H2 TIP3 8095 73.808 82.684 -16.240 1.00 0.00 WT4 H ATOM 51490 OH2 TIP3 8096 75.226 37.085 21.522 1.00 0.00 WT4 O ATOM 51491 H1 TIP3 8096 74.385 37.313 21.126 1.00 0.00 WT4 H ATOM 51492 H2 TIP3 8096 75.112 36.184 21.825 1.00 0.00 WT4 H ATOM 51493 OH2 TIP3 8104 47.222 42.061 52.317 1.00 0.00 WT4 O ATOM 51494 H1 TIP3 8104 46.715 42.868 52.396 1.00 0.00 WT4 H ATOM 51495 H2 TIP3 8104 47.886 42.126 53.004 1.00 0.00 WT4 H ATOM 51496 OH2 TIP3 8106 69.633 0.922 14.818 1.00 0.00 WT4 O ATOM 51497 H1 TIP3 8106 70.407 1.442 15.033 1.00 0.00 WT4 H ATOM 51498 H2 TIP3 8106 69.983 0.111 14.448 1.00 0.00 WT4 H ATOM 51499 OH2 TIP3 8107 71.868 69.123 37.755 1.00 0.00 WT4 O ATOM 51500 H1 TIP3 8107 71.718 68.716 36.901 1.00 0.00 WT4 H ATOM 51501 H2 TIP3 8107 71.705 70.054 37.608 1.00 0.00 WT4 H ATOM 51502 OH2 TIP3 8109 42.840 95.072 51.898 1.00 0.00 WT4 O ATOM 51503 H1 TIP3 8109 42.737 95.525 51.061 1.00 0.00 WT4 H ATOM 51504 H2 TIP3 8109 42.899 94.146 51.664 1.00 0.00 WT4 H ATOM 51505 OH2 TIP3 8110 80.370 88.425 41.442 1.00 0.00 WT4 O ATOM 51506 H1 TIP3 8110 79.910 87.678 41.826 1.00 0.00 WT4 H ATOM 51507 H2 TIP3 8110 80.016 88.495 40.555 1.00 0.00 WT4 H ATOM 51508 OH2 TIP3 8111 70.997 42.560 -2.759 1.00 0.00 WT4 O ATOM 51509 H1 TIP3 8111 70.811 41.806 -2.199 1.00 0.00 WT4 H ATOM 51510 H2 TIP3 8111 71.717 42.272 -3.319 1.00 0.00 WT4 H ATOM 51511 OH2 TIP3 8112 86.626 85.551 -19.884 1.00 0.00 WT4 O ATOM 51512 H1 TIP3 8112 87.256 85.041 -20.393 1.00 0.00 WT4 H ATOM 51513 H2 TIP3 8112 86.831 85.343 -18.972 1.00 0.00 WT4 H ATOM 51514 OH2 TIP3 8113 48.037 77.926 35.508 1.00 0.00 WT4 O ATOM 51515 H1 TIP3 8113 48.223 77.650 36.406 1.00 0.00 WT4 H ATOM 51516 H2 TIP3 8113 47.922 77.108 35.025 1.00 0.00 WT4 H ATOM 51517 OH2 TIP3 8114 20.535 11.930 -14.897 1.00 0.00 WT4 O ATOM 51518 H1 TIP3 8114 20.183 11.459 -15.653 1.00 0.00 WT4 H ATOM 51519 H2 TIP3 8114 21.203 11.345 -14.540 1.00 0.00 WT4 H ATOM 51520 OH2 TIP3 8129 39.862 77.051 58.569 1.00 0.00 WT4 O ATOM 51521 H1 TIP3 8129 40.750 76.701 58.506 1.00 0.00 WT4 H ATOM 51522 H2 TIP3 8129 39.698 77.446 57.712 1.00 0.00 WT4 H ATOM 51523 OH2 TIP3 8135 30.082 62.040 -1.019 1.00 0.00 WT4 O ATOM 51524 H1 TIP3 8135 30.416 61.964 -0.125 1.00 0.00 WT4 H ATOM 51525 H2 TIP3 8135 30.717 61.565 -1.554 1.00 0.00 WT4 H ATOM 51526 OH2 TIP3 8150 49.996 64.887 52.036 1.00 0.00 WT4 O ATOM 51527 H1 TIP3 8150 50.201 64.828 51.103 1.00 0.00 WT4 H ATOM 51528 H2 TIP3 8150 49.404 65.636 52.105 1.00 0.00 WT4 H ATOM 51529 OH2 TIP3 8154 21.871 53.214 -17.424 1.00 0.00 WT4 O ATOM 51530 H1 TIP3 8154 22.397 52.833 -18.128 1.00 0.00 WT4 H ATOM 51531 H2 TIP3 8154 21.213 53.743 -17.875 1.00 0.00 WT4 H ATOM 51532 OH2 TIP3 8155 45.150 85.093 -16.627 1.00 0.00 WT4 O ATOM 51533 H1 TIP3 8155 45.290 84.649 -15.791 1.00 0.00 WT4 H ATOM 51534 H2 TIP3 8155 44.247 84.882 -16.864 1.00 0.00 WT4 H ATOM 51535 OH2 TIP3 8159 85.850 5.359 44.844 1.00 0.00 WT4 O ATOM 51536 H1 TIP3 8159 86.153 4.454 44.919 1.00 0.00 WT4 H ATOM 51537 H2 TIP3 8159 86.632 5.888 45.006 1.00 0.00 WT4 H ATOM 51538 OH2 TIP3 8174 26.775 92.337 -5.582 1.00 0.00 WT4 O ATOM 51539 H1 TIP3 8174 26.385 91.820 -6.287 1.00 0.00 WT4 H ATOM 51540 H2 TIP3 8174 26.278 92.094 -4.802 1.00 0.00 WT4 H ATOM 51541 OH2 TIP3 8178 39.032 81.790 43.183 1.00 0.00 WT4 O ATOM 51542 H1 TIP3 8178 38.456 81.116 42.822 1.00 0.00 WT4 H ATOM 51543 H2 TIP3 8178 39.690 81.933 42.503 1.00 0.00 WT4 H ATOM 51544 OH2 TIP3 8219 63.040 96.030 35.355 1.00 0.00 WT4 O ATOM 51545 H1 TIP3 8219 62.151 96.055 35.002 1.00 0.00 WT4 H ATOM 51546 H2 TIP3 8219 62.927 95.789 36.274 1.00 0.00 WT4 H ATOM 51547 OH2 TIP3 8319 70.580 24.196 52.832 1.00 0.00 WT4 O ATOM 51548 H1 TIP3 8319 69.767 23.715 52.679 1.00 0.00 WT4 H ATOM 51549 H2 TIP3 8319 71.273 23.558 52.660 1.00 0.00 WT4 H ATOM 51550 OH2 TIP3 8322 79.360 53.785 7.399 1.00 0.00 WT4 O ATOM 51551 H1 TIP3 8322 78.659 53.850 8.047 1.00 0.00 WT4 H ATOM 51552 H2 TIP3 8322 79.937 53.100 7.738 1.00 0.00 WT4 H ATOM 51553 OH2 TIP3 8324 51.124 46.904 44.200 1.00 0.00 WT4 O ATOM 51554 H1 TIP3 8324 50.589 46.434 43.561 1.00 0.00 WT4 H ATOM 51555 H2 TIP3 8324 50.786 46.620 45.050 1.00 0.00 WT4 H ATOM 51556 OH2 TIP3 8339 29.731 34.068 35.267 1.00 0.00 WT4 O ATOM 51557 H1 TIP3 8339 30.048 33.453 34.605 1.00 0.00 WT4 H ATOM 51558 H2 TIP3 8339 29.494 34.852 34.773 1.00 0.00 WT4 H ATOM 51559 OH2 TIP3 8345 48.408 69.964 48.539 1.00 0.00 WT4 O ATOM 51560 H1 TIP3 8345 48.204 69.049 48.732 1.00 0.00 WT4 H ATOM 51561 H2 TIP3 8345 48.366 70.022 47.584 1.00 0.00 WT4 H ATOM 51562 OH2 TIP3 8364 26.362 71.136 -14.101 1.00 0.00 WT4 O ATOM 51563 H1 TIP3 8364 26.629 72.008 -14.394 1.00 0.00 WT4 H ATOM 51564 H2 TIP3 8364 26.528 71.139 -13.158 1.00 0.00 WT4 H ATOM 51565 OH2 TIP3 8365 83.891 70.929 -18.760 1.00 0.00 WT4 O ATOM 51566 H1 TIP3 8365 83.198 71.585 -18.683 1.00 0.00 WT4 H ATOM 51567 H2 TIP3 8365 83.494 70.218 -19.262 1.00 0.00 WT4 H ATOM 51568 OH2 TIP3 8377 87.937 58.411 -6.297 1.00 0.00 WT4 O ATOM 51569 H1 TIP3 8377 88.716 58.782 -6.712 1.00 0.00 WT4 H ATOM 51570 H2 TIP3 8377 88.056 58.586 -5.363 1.00 0.00 WT4 H ATOM 51571 OH2 TIP3 8378 27.135 44.830 56.953 1.00 0.00 WT4 O ATOM 51572 H1 TIP3 8378 27.725 45.364 56.421 1.00 0.00 WT4 H ATOM 51573 H2 TIP3 8378 26.577 45.464 57.403 1.00 0.00 WT4 H ATOM 51574 OH2 TIP3 8381 83.305 80.463 -14.913 1.00 0.00 WT4 O ATOM 51575 H1 TIP3 8381 84.195 80.550 -14.572 1.00 0.00 WT4 H ATOM 51576 H2 TIP3 8381 82.979 79.650 -14.528 1.00 0.00 WT4 H ATOM 51577 OH2 TIP3 8382 44.083 70.751 -2.553 1.00 0.00 WT4 O ATOM 51578 H1 TIP3 8382 44.577 70.023 -2.175 1.00 0.00 WT4 H ATOM 51579 H2 TIP3 8382 43.750 71.233 -1.796 1.00 0.00 WT4 H ATOM 51580 OH2 TIP3 8384 89.614 85.573 -17.013 1.00 0.00 WT4 O ATOM 51581 H1 TIP3 8384 90.115 84.860 -16.616 1.00 0.00 WT4 H ATOM 51582 H2 TIP3 8384 90.208 86.323 -16.994 1.00 0.00 WT4 H ATOM 51583 OH2 TIP3 8386 76.852 7.107 66.288 1.00 0.00 WT4 O ATOM 51584 H1 TIP3 8386 76.211 6.407 66.409 1.00 0.00 WT4 H ATOM 51585 H2 TIP3 8386 76.922 7.208 65.339 1.00 0.00 WT4 H ATOM 51586 OH2 TIP3 8388 41.802 92.615 35.620 1.00 0.00 WT4 O ATOM 51587 H1 TIP3 8388 41.669 93.529 35.368 1.00 0.00 WT4 H ATOM 51588 H2 TIP3 8388 41.885 92.147 34.790 1.00 0.00 WT4 H ATOM 51589 OH2 TIP3 8389 81.830 49.398 6.269 1.00 0.00 WT4 O ATOM 51590 H1 TIP3 8389 81.200 50.090 6.473 1.00 0.00 WT4 H ATOM 51591 H2 TIP3 8389 81.877 49.390 5.313 1.00 0.00 WT4 H ATOM 51592 OH2 TIP3 8403 25.358 41.702 -4.586 1.00 0.00 WT4 O ATOM 51593 H1 TIP3 8403 25.793 41.863 -3.748 1.00 0.00 WT4 H ATOM 51594 H2 TIP3 8403 25.884 42.183 -5.225 1.00 0.00 WT4 H ATOM 51595 OH2 TIP3 8411 65.780 49.669 57.196 1.00 0.00 WT4 O ATOM 51596 H1 TIP3 8411 66.427 50.336 56.964 1.00 0.00 WT4 H ATOM 51597 H2 TIP3 8411 65.364 50.005 57.990 1.00 0.00 WT4 H ATOM 51598 OH2 TIP3 8421 43.342 7.971 37.554 1.00 0.00 WT4 O ATOM 51599 H1 TIP3 8421 43.336 7.191 37.000 1.00 0.00 WT4 H ATOM 51600 H2 TIP3 8421 44.263 8.229 37.596 1.00 0.00 WT4 H ATOM 51601 OH2 TIP3 8425 77.822 82.293 31.816 1.00 0.00 WT4 O ATOM 51602 H1 TIP3 8425 77.514 81.621 31.207 1.00 0.00 WT4 H ATOM 51603 H2 TIP3 8425 77.955 83.068 31.270 1.00 0.00 WT4 H ATOM 51604 OH2 TIP3 8427 62.218 62.443 -19.161 1.00 0.00 WT4 O ATOM 51605 H1 TIP3 8427 61.953 63.117 -19.787 1.00 0.00 WT4 H ATOM 51606 H2 TIP3 8427 61.597 62.531 -18.438 1.00 0.00 WT4 H ATOM 51607 OH2 TIP3 8428 79.112 18.627 42.937 1.00 0.00 WT4 O ATOM 51608 H1 TIP3 8428 79.321 17.841 42.431 1.00 0.00 WT4 H ATOM 51609 H2 TIP3 8428 79.688 18.580 43.700 1.00 0.00 WT4 H ATOM 51610 OH2 TIP3 8431 78.345 60.756 36.632 1.00 0.00 WT4 O ATOM 51611 H1 TIP3 8431 77.743 60.069 36.919 1.00 0.00 WT4 H ATOM 51612 H2 TIP3 8431 77.775 61.460 36.322 1.00 0.00 WT4 H ATOM 51613 OH2 TIP3 8441 63.933 42.438 25.832 1.00 0.00 WT4 O ATOM 51614 H1 TIP3 8441 64.274 43.326 25.728 1.00 0.00 WT4 H ATOM 51615 H2 TIP3 8441 62.991 42.554 25.949 1.00 0.00 WT4 H ATOM 51616 OH2 TIP3 8442 22.255 67.987 -17.983 1.00 0.00 WT4 O ATOM 51617 H1 TIP3 8442 23.053 68.187 -18.472 1.00 0.00 WT4 H ATOM 51618 H2 TIP3 8442 21.932 68.839 -17.692 1.00 0.00 WT4 H ATOM 51619 OH2 TIP3 8444 78.061 64.741 46.556 1.00 0.00 WT4 O ATOM 51620 H1 TIP3 8444 78.351 65.315 47.266 1.00 0.00 WT4 H ATOM 51621 H2 TIP3 8444 77.584 65.319 45.961 1.00 0.00 WT4 H ATOM 51622 OH2 TIP3 8445 70.842 78.866 -2.447 1.00 0.00 WT4 O ATOM 51623 H1 TIP3 8445 71.650 79.018 -1.957 1.00 0.00 WT4 H ATOM 51624 H2 TIP3 8445 70.143 79.037 -1.816 1.00 0.00 WT4 H ATOM 51625 OH2 TIP3 8446 68.654 11.466 49.418 1.00 0.00 WT4 O ATOM 51626 H1 TIP3 8446 68.376 11.934 48.631 1.00 0.00 WT4 H ATOM 51627 H2 TIP3 8446 67.980 10.799 49.550 1.00 0.00 WT4 H ATOM 51628 OH2 TIP3 8447 26.828 82.297 45.680 1.00 0.00 WT4 O ATOM 51629 H1 TIP3 8447 26.152 81.697 45.994 1.00 0.00 WT4 H ATOM 51630 H2 TIP3 8447 27.533 81.726 45.374 1.00 0.00 WT4 H ATOM 51631 OH2 TIP3 8449 47.273 73.522 56.624 1.00 0.00 WT4 O ATOM 51632 H1 TIP3 8449 46.487 73.194 57.061 1.00 0.00 WT4 H ATOM 51633 H2 TIP3 8449 47.079 74.441 56.438 1.00 0.00 WT4 H ATOM 51634 OH2 TIP3 8455 65.826 26.718 34.238 1.00 0.00 WT4 O ATOM 51635 H1 TIP3 8455 66.504 26.190 33.816 1.00 0.00 WT4 H ATOM 51636 H2 TIP3 8455 66.136 26.833 35.136 1.00 0.00 WT4 H ATOM 51637 OH2 TIP3 8462 73.256 3.434 34.507 1.00 0.00 WT4 O ATOM 51638 H1 TIP3 8462 73.236 2.849 33.750 1.00 0.00 WT4 H ATOM 51639 H2 TIP3 8462 74.174 3.446 34.778 1.00 0.00 WT4 H ATOM 51640 OH2 TIP3 8463 85.434 96.342 35.257 1.00 0.00 WT4 O ATOM 51641 H1 TIP3 8463 84.507 96.401 35.487 1.00 0.00 WT4 H ATOM 51642 H2 TIP3 8463 85.568 95.422 35.028 1.00 0.00 WT4 H ATOM 51643 OH2 TIP3 8465 31.272 77.636 66.278 1.00 0.00 WT4 O ATOM 51644 H1 TIP3 8465 31.785 78.444 66.274 1.00 0.00 WT4 H ATOM 51645 H2 TIP3 8465 30.612 77.774 66.958 1.00 0.00 WT4 H ATOM 51646 OH2 TIP3 8466 84.948 14.755 0.186 1.00 0.00 WT4 O ATOM 51647 H1 TIP3 8466 84.509 15.060 0.981 1.00 0.00 WT4 H ATOM 51648 H2 TIP3 8466 84.238 14.443 -0.375 1.00 0.00 WT4 H ATOM 51649 OH2 TIP3 8468 85.815 94.039 11.980 1.00 0.00 WT4 O ATOM 51650 H1 TIP3 8468 85.419 94.906 11.898 1.00 0.00 WT4 H ATOM 51651 H2 TIP3 8468 85.087 93.430 11.851 1.00 0.00 WT4 H ATOM 51652 OH2 TIP3 8486 81.637 82.132 -8.923 1.00 0.00 WT4 O ATOM 51653 H1 TIP3 8486 82.058 82.924 -9.258 1.00 0.00 WT4 H ATOM 51654 H2 TIP3 8486 82.214 81.833 -8.220 1.00 0.00 WT4 H ATOM 51655 OH2 TIP3 8487 55.659 72.648 -9.269 1.00 0.00 WT4 O ATOM 51656 H1 TIP3 8487 55.770 71.743 -8.978 1.00 0.00 WT4 H ATOM 51657 H2 TIP3 8487 54.711 72.781 -9.280 1.00 0.00 WT4 H ATOM 51658 OH2 TIP3 8489 60.677 92.124 41.026 1.00 0.00 WT4 O ATOM 51659 H1 TIP3 8489 61.246 92.148 41.796 1.00 0.00 WT4 H ATOM 51660 H2 TIP3 8489 60.375 91.217 40.980 1.00 0.00 WT4 H ATOM 51661 OH2 TIP3 8490 81.847 38.478 40.452 1.00 0.00 WT4 O ATOM 51662 H1 TIP3 8490 81.952 38.457 39.501 1.00 0.00 WT4 H ATOM 51663 H2 TIP3 8490 82.677 38.146 40.793 1.00 0.00 WT4 H ATOM 51664 OH2 TIP3 8505 85.810 61.866 52.718 1.00 0.00 WT4 O ATOM 51665 H1 TIP3 8505 85.763 61.499 53.600 1.00 0.00 WT4 H ATOM 51666 H2 TIP3 8505 85.209 61.330 52.202 1.00 0.00 WT4 H ATOM 51667 OH2 TIP3 8506 61.980 74.007 50.138 1.00 0.00 WT4 O ATOM 51668 H1 TIP3 8506 61.417 73.782 49.398 1.00 0.00 WT4 H ATOM 51669 H2 TIP3 8506 61.690 74.879 50.405 1.00 0.00 WT4 H ATOM 51670 OH2 TIP3 8507 66.492 2.985 16.945 1.00 0.00 WT4 O ATOM 51671 H1 TIP3 8507 66.996 3.589 17.490 1.00 0.00 WT4 H ATOM 51672 H2 TIP3 8507 65.973 2.476 17.568 1.00 0.00 WT4 H ATOM 51673 OH2 TIP3 8508 42.029 11.618 65.845 1.00 0.00 WT4 O ATOM 51674 H1 TIP3 8508 41.195 12.085 65.802 1.00 0.00 WT4 H ATOM 51675 H2 TIP3 8508 42.379 11.669 64.955 1.00 0.00 WT4 H ATOM 51676 OH2 TIP3 8509 33.322 47.296 15.833 1.00 0.00 WT4 O ATOM 51677 H1 TIP3 8509 33.219 46.426 16.219 1.00 0.00 WT4 H ATOM 51678 H2 TIP3 8509 34.089 47.217 15.266 1.00 0.00 WT4 H ATOM 51679 OH2 TIP3 8513 64.166 28.988 -12.981 1.00 0.00 WT4 O ATOM 51680 H1 TIP3 8513 64.533 29.601 -12.343 1.00 0.00 WT4 H ATOM 51681 H2 TIP3 8513 63.535 29.508 -13.478 1.00 0.00 WT4 H ATOM 51682 OH2 TIP3 8515 76.168 29.298 54.165 1.00 0.00 WT4 O ATOM 51683 H1 TIP3 8515 76.918 28.705 54.229 1.00 0.00 WT4 H ATOM 51684 H2 TIP3 8515 75.424 28.725 53.980 1.00 0.00 WT4 H ATOM 51685 OH2 TIP3 8516 55.108 19.216 -15.915 1.00 0.00 WT4 O ATOM 51686 H1 TIP3 8516 54.886 18.789 -15.087 1.00 0.00 WT4 H ATOM 51687 H2 TIP3 8516 54.606 20.031 -15.906 1.00 0.00 WT4 H ATOM 51688 OH2 TIP3 8528 69.498 8.362 41.371 1.00 0.00 WT4 O ATOM 51689 H1 TIP3 8528 69.463 9.093 40.754 1.00 0.00 WT4 H ATOM 51690 H2 TIP3 8528 69.302 7.591 40.839 1.00 0.00 WT4 H ATOM 51691 OH2 TIP3 8529 30.898 69.302 47.790 1.00 0.00 WT4 O ATOM 51692 H1 TIP3 8529 30.939 68.671 47.071 1.00 0.00 WT4 H ATOM 51693 H2 TIP3 8529 30.344 70.008 47.459 1.00 0.00 WT4 H ATOM 51694 OH2 TIP3 8530 20.821 86.122 56.093 1.00 0.00 WT4 O ATOM 51695 H1 TIP3 8530 21.004 85.318 56.580 1.00 0.00 WT4 H ATOM 51696 H2 TIP3 8530 21.295 86.015 55.268 1.00 0.00 WT4 H ATOM 51697 OH2 TIP3 8531 40.000 85.563 -3.632 1.00 0.00 WT4 O ATOM 51698 H1 TIP3 8531 40.730 85.247 -3.099 1.00 0.00 WT4 H ATOM 51699 H2 TIP3 8531 39.626 86.283 -3.124 1.00 0.00 WT4 H ATOM 51700 OH2 TIP3 8532 86.265 5.076 -16.296 1.00 0.00 WT4 O ATOM 51701 H1 TIP3 8532 86.494 5.959 -16.005 1.00 0.00 WT4 H ATOM 51702 H2 TIP3 8532 85.370 4.945 -15.982 1.00 0.00 WT4 H ATOM 51703 OH2 TIP3 8534 52.725 62.904 -11.509 1.00 0.00 WT4 O ATOM 51704 H1 TIP3 8534 52.385 62.772 -10.624 1.00 0.00 WT4 H ATOM 51705 H2 TIP3 8534 52.091 63.487 -11.926 1.00 0.00 WT4 H ATOM 51706 OH2 TIP3 8535 55.694 68.095 -9.786 1.00 0.00 WT4 O ATOM 51707 H1 TIP3 8535 55.827 69.012 -9.546 1.00 0.00 WT4 H ATOM 51708 H2 TIP3 8535 55.526 67.651 -8.955 1.00 0.00 WT4 H ATOM 51709 OH2 TIP3 8536 44.694 52.428 48.589 1.00 0.00 WT4 O ATOM 51710 H1 TIP3 8536 45.026 52.867 47.806 1.00 0.00 WT4 H ATOM 51711 H2 TIP3 8536 43.744 52.531 48.538 1.00 0.00 WT4 H ATOM 51712 OH2 TIP3 8539 67.822 71.109 26.344 1.00 0.00 WT4 O ATOM 51713 H1 TIP3 8539 67.237 71.723 25.900 1.00 0.00 WT4 H ATOM 51714 H2 TIP3 8539 67.786 70.315 25.810 1.00 0.00 WT4 H ATOM 51715 OH2 TIP3 8543 26.099 13.630 -13.693 1.00 0.00 WT4 O ATOM 51716 H1 TIP3 8543 25.878 12.938 -14.316 1.00 0.00 WT4 H ATOM 51717 H2 TIP3 8543 26.358 13.164 -12.898 1.00 0.00 WT4 H ATOM 51718 OH2 TIP3 8548 74.687 74.653 22.659 1.00 0.00 WT4 O ATOM 51719 H1 TIP3 8548 74.389 75.299 23.300 1.00 0.00 WT4 H ATOM 51720 H2 TIP3 8548 75.637 74.625 22.771 1.00 0.00 WT4 H ATOM 51721 OH2 TIP3 8549 28.614 8.981 11.276 1.00 0.00 WT4 O ATOM 51722 H1 TIP3 8549 28.392 9.825 10.882 1.00 0.00 WT4 H ATOM 51723 H2 TIP3 8549 27.785 8.503 11.302 1.00 0.00 WT4 H ATOM 51724 OH2 TIP3 8550 26.141 44.233 50.626 1.00 0.00 WT4 O ATOM 51725 H1 TIP3 8550 26.292 45.085 51.035 1.00 0.00 WT4 H ATOM 51726 H2 TIP3 8550 26.570 44.296 49.773 1.00 0.00 WT4 H ATOM 51727 OH2 TIP3 8554 61.925 1.168 -6.273 1.00 0.00 WT4 O ATOM 51728 H1 TIP3 8554 62.306 0.301 -6.409 1.00 0.00 WT4 H ATOM 51729 H2 TIP3 8554 61.982 1.310 -5.328 1.00 0.00 WT4 H ATOM 51730 OH2 TIP3 8556 74.822 79.307 42.309 1.00 0.00 WT4 O ATOM 51731 H1 TIP3 8556 74.384 80.144 42.468 1.00 0.00 WT4 H ATOM 51732 H2 TIP3 8556 74.178 78.787 41.828 1.00 0.00 WT4 H ATOM 51733 OH2 TIP3 8558 59.124 71.289 60.566 1.00 0.00 WT4 O ATOM 51734 H1 TIP3 8558 59.346 70.556 61.141 1.00 0.00 WT4 H ATOM 51735 H2 TIP3 8558 59.341 70.978 59.687 1.00 0.00 WT4 H ATOM 51736 OH2 TIP3 8571 73.527 4.146 1.509 1.00 0.00 WT4 O ATOM 51737 H1 TIP3 8571 73.824 4.063 0.603 1.00 0.00 WT4 H ATOM 51738 H2 TIP3 8571 74.206 4.668 1.937 1.00 0.00 WT4 H ATOM 51739 OH2 TIP3 8573 72.171 90.534 45.095 1.00 0.00 WT4 O ATOM 51740 H1 TIP3 8573 71.914 90.579 44.174 1.00 0.00 WT4 H ATOM 51741 H2 TIP3 8573 72.770 91.272 45.213 1.00 0.00 WT4 H ATOM 51742 OH2 TIP3 8574 35.144 66.610 3.282 1.00 0.00 WT4 O ATOM 51743 H1 TIP3 8574 35.064 67.305 3.934 1.00 0.00 WT4 H ATOM 51744 H2 TIP3 8574 35.339 65.824 3.792 1.00 0.00 WT4 H ATOM 51745 OH2 TIP3 8590 75.977 93.333 42.528 1.00 0.00 WT4 O ATOM 51746 H1 TIP3 8590 75.196 93.886 42.562 1.00 0.00 WT4 H ATOM 51747 H2 TIP3 8590 76.547 93.763 41.890 1.00 0.00 WT4 H ATOM 51748 OH2 TIP3 8594 65.620 96.129 35.846 1.00 0.00 WT4 O ATOM 51749 H1 TIP3 8594 66.229 96.787 35.512 1.00 0.00 WT4 H ATOM 51750 H2 TIP3 8594 64.842 96.221 35.296 1.00 0.00 WT4 H ATOM 51751 OH2 TIP3 8632 58.847 47.950 58.325 1.00 0.00 WT4 O ATOM 51752 H1 TIP3 8632 58.925 48.749 58.847 1.00 0.00 WT4 H ATOM 51753 H2 TIP3 8632 58.457 48.239 57.500 1.00 0.00 WT4 H ATOM 51754 OH2 TIP3 8638 21.701 82.074 -18.938 1.00 0.00 WT4 O ATOM 51755 H1 TIP3 8638 20.789 81.874 -19.148 1.00 0.00 WT4 H ATOM 51756 H2 TIP3 8638 22.210 81.473 -19.483 1.00 0.00 WT4 H ATOM 51757 OH2 TIP3 8640 87.064 34.886 37.040 1.00 0.00 WT4 O ATOM 51758 H1 TIP3 8640 87.273 34.095 36.543 1.00 0.00 WT4 H ATOM 51759 H2 TIP3 8640 87.876 35.394 37.034 1.00 0.00 WT4 H ATOM 51760 OH2 TIP3 8760 77.168 66.081 -15.939 1.00 0.00 WT4 O ATOM 51761 H1 TIP3 8760 78.015 65.726 -15.670 1.00 0.00 WT4 H ATOM 51762 H2 TIP3 8760 76.922 66.678 -15.232 1.00 0.00 WT4 H ATOM 51763 OH2 TIP3 8777 64.436 1.835 52.541 1.00 0.00 WT4 O ATOM 51764 H1 TIP3 8777 64.801 0.951 52.541 1.00 0.00 WT4 H ATOM 51765 H2 TIP3 8777 63.501 1.709 52.379 1.00 0.00 WT4 H ATOM 51766 OH2 TIP3 8780 55.880 93.696 -1.645 1.00 0.00 WT4 O ATOM 51767 H1 TIP3 8780 54.952 93.471 -1.581 1.00 0.00 WT4 H ATOM 51768 H2 TIP3 8780 56.264 93.367 -0.832 1.00 0.00 WT4 H ATOM 51769 OH2 TIP3 8790 88.490 9.474 -4.440 1.00 0.00 WT4 O ATOM 51770 H1 TIP3 8790 88.849 9.634 -5.312 1.00 0.00 WT4 H ATOM 51771 H2 TIP3 8790 87.541 9.481 -4.565 1.00 0.00 WT4 H ATOM 51772 OH2 TIP3 8801 27.373 94.676 42.483 1.00 0.00 WT4 O ATOM 51773 H1 TIP3 8801 27.770 95.427 42.041 1.00 0.00 WT4 H ATOM 51774 H2 TIP3 8801 26.526 94.563 42.052 1.00 0.00 WT4 H ATOM 51775 OH2 TIP3 8802 84.050 85.065 -18.893 1.00 0.00 WT4 O ATOM 51776 H1 TIP3 8802 84.907 85.323 -19.231 1.00 0.00 WT4 H ATOM 51777 H2 TIP3 8802 83.999 85.474 -18.029 1.00 0.00 WT4 H ATOM 51778 OH2 TIP3 8803 21.013 86.077 32.362 1.00 0.00 WT4 O ATOM 51779 H1 TIP3 8803 20.935 87.018 32.515 1.00 0.00 WT4 H ATOM 51780 H2 TIP3 8803 21.931 85.946 32.127 1.00 0.00 WT4 H ATOM 51781 OH2 TIP3 8807 53.215 4.610 26.833 1.00 0.00 WT4 O ATOM 51782 H1 TIP3 8807 52.565 4.797 27.510 1.00 0.00 WT4 H ATOM 51783 H2 TIP3 8807 52.711 4.221 26.118 1.00 0.00 WT4 H ATOM 51784 OH2 TIP3 8820 42.844 26.854 45.933 1.00 0.00 WT4 O ATOM 51785 H1 TIP3 8820 43.080 27.774 46.056 1.00 0.00 WT4 H ATOM 51786 H2 TIP3 8820 43.611 26.368 46.236 1.00 0.00 WT4 H ATOM 51787 OH2 TIP3 8822 83.150 8.865 4.095 1.00 0.00 WT4 O ATOM 51788 H1 TIP3 8822 83.337 8.520 3.222 1.00 0.00 WT4 H ATOM 51789 H2 TIP3 8822 83.289 9.808 4.015 1.00 0.00 WT4 H ATOM 51790 OH2 TIP3 8823 23.993 45.702 1.879 1.00 0.00 WT4 O ATOM 51791 H1 TIP3 8823 23.791 46.604 2.128 1.00 0.00 WT4 H ATOM 51792 H2 TIP3 8823 24.341 45.305 2.678 1.00 0.00 WT4 H ATOM 51793 OH2 TIP3 8829 22.603 60.010 40.419 1.00 0.00 WT4 O ATOM 51794 H1 TIP3 8829 22.491 60.604 39.677 1.00 0.00 WT4 H ATOM 51795 H2 TIP3 8829 23.115 60.512 41.053 1.00 0.00 WT4 H ATOM 51796 OH2 TIP3 8830 23.701 53.712 -2.575 1.00 0.00 WT4 O ATOM 51797 H1 TIP3 8830 24.049 53.671 -3.465 1.00 0.00 WT4 H ATOM 51798 H2 TIP3 8830 24.438 54.013 -2.043 1.00 0.00 WT4 H ATOM 51799 OH2 TIP3 8842 61.744 39.738 1.084 1.00 0.00 WT4 O ATOM 51800 H1 TIP3 8842 61.174 39.570 1.834 1.00 0.00 WT4 H ATOM 51801 H2 TIP3 8842 61.337 39.262 0.361 1.00 0.00 WT4 H ATOM 51802 OH2 TIP3 8843 43.733 61.569 48.099 1.00 0.00 WT4 O ATOM 51803 H1 TIP3 8843 44.511 62.091 48.295 1.00 0.00 WT4 H ATOM 51804 H2 TIP3 8843 43.846 61.304 47.186 1.00 0.00 WT4 H ATOM 51805 OH2 TIP3 8844 67.927 92.908 -16.169 1.00 0.00 WT4 O ATOM 51806 H1 TIP3 8844 68.088 93.790 -16.505 1.00 0.00 WT4 H ATOM 51807 H2 TIP3 8844 68.800 92.542 -16.028 1.00 0.00 WT4 H ATOM 51808 OH2 TIP3 8845 77.320 38.978 39.896 1.00 0.00 WT4 O ATOM 51809 H1 TIP3 8845 78.141 38.945 39.405 1.00 0.00 WT4 H ATOM 51810 H2 TIP3 8845 76.772 39.592 39.406 1.00 0.00 WT4 H ATOM 51811 OH2 TIP3 8846 51.014 33.504 44.377 1.00 0.00 WT4 O ATOM 51812 H1 TIP3 8846 50.807 33.316 45.293 1.00 0.00 WT4 H ATOM 51813 H2 TIP3 8846 51.970 33.534 44.348 1.00 0.00 WT4 H ATOM 51814 OH2 TIP3 8847 86.284 49.574 -14.597 1.00 0.00 WT4 O ATOM 51815 H1 TIP3 8847 86.504 49.663 -13.669 1.00 0.00 WT4 H ATOM 51816 H2 TIP3 8847 87.130 49.556 -15.044 1.00 0.00 WT4 H ATOM 51817 OH2 TIP3 8849 56.456 63.735 36.880 1.00 0.00 WT4 O ATOM 51818 H1 TIP3 8849 56.544 62.945 36.347 1.00 0.00 WT4 H ATOM 51819 H2 TIP3 8849 55.519 63.797 37.064 1.00 0.00 WT4 H ATOM 51820 OH2 TIP3 8863 69.655 75.529 -18.464 1.00 0.00 WT4 O ATOM 51821 H1 TIP3 8863 68.864 75.093 -18.148 1.00 0.00 WT4 H ATOM 51822 H2 TIP3 8863 70.375 75.001 -18.119 1.00 0.00 WT4 H ATOM 51823 OH2 TIP3 8865 69.688 84.223 28.412 1.00 0.00 WT4 O ATOM 51824 H1 TIP3 8865 70.113 83.753 27.695 1.00 0.00 WT4 H ATOM 51825 H2 TIP3 8865 68.776 84.312 28.134 1.00 0.00 WT4 H ATOM 51826 OH2 TIP3 8866 39.673 73.845 58.467 1.00 0.00 WT4 O ATOM 51827 H1 TIP3 8866 39.244 74.246 57.711 1.00 0.00 WT4 H ATOM 51828 H2 TIP3 8866 40.149 74.563 58.883 1.00 0.00 WT4 H ATOM 51829 OH2 TIP3 8867 35.927 54.904 13.083 1.00 0.00 WT4 O ATOM 51830 H1 TIP3 8867 35.979 55.852 12.963 1.00 0.00 WT4 H ATOM 51831 H2 TIP3 8867 36.495 54.725 13.832 1.00 0.00 WT4 H ATOM 51832 OH2 TIP3 8869 38.830 79.588 19.890 1.00 0.00 WT4 O ATOM 51833 H1 TIP3 8869 39.783 79.498 19.851 1.00 0.00 WT4 H ATOM 51834 H2 TIP3 8869 38.499 78.708 19.712 1.00 0.00 WT4 H ATOM 51835 OH2 TIP3 8883 60.681 76.823 22.617 1.00 0.00 WT4 O ATOM 51836 H1 TIP3 8883 59.951 77.104 22.065 1.00 0.00 WT4 H ATOM 51837 H2 TIP3 8883 61.389 77.432 22.406 1.00 0.00 WT4 H ATOM 51838 OH2 TIP3 8884 48.082 95.363 -16.613 1.00 0.00 WT4 O ATOM 51839 H1 TIP3 8884 47.177 95.183 -16.868 1.00 0.00 WT4 H ATOM 51840 H2 TIP3 8884 48.605 94.757 -17.137 1.00 0.00 WT4 H ATOM 51841 OH2 TIP3 8885 66.304 48.114 35.563 1.00 0.00 WT4 O ATOM 51842 H1 TIP3 8885 66.621 48.980 35.820 1.00 0.00 WT4 H ATOM 51843 H2 TIP3 8885 65.768 48.276 34.786 1.00 0.00 WT4 H ATOM 51844 OH2 TIP3 8886 31.166 83.226 12.205 1.00 0.00 WT4 O ATOM 51845 H1 TIP3 8886 31.368 82.515 11.597 1.00 0.00 WT4 H ATOM 51846 H2 TIP3 8886 31.266 84.023 11.684 1.00 0.00 WT4 H ATOM 51847 OH2 TIP3 8887 25.276 73.437 46.574 1.00 0.00 WT4 O ATOM 51848 H1 TIP3 8887 25.843 72.665 46.563 1.00 0.00 WT4 H ATOM 51849 H2 TIP3 8887 24.508 73.178 46.066 1.00 0.00 WT4 H ATOM 51850 OH2 TIP3 8901 26.080 50.685 38.964 1.00 0.00 WT4 O ATOM 51851 H1 TIP3 8901 25.276 51.135 38.703 1.00 0.00 WT4 H ATOM 51852 H2 TIP3 8901 26.379 51.159 39.740 1.00 0.00 WT4 H ATOM 51853 OH2 TIP3 8903 65.939 37.980 26.416 1.00 0.00 WT4 O ATOM 51854 H1 TIP3 8903 65.090 38.119 25.997 1.00 0.00 WT4 H ATOM 51855 H2 TIP3 8903 66.380 38.827 26.351 1.00 0.00 WT4 H ATOM 51856 OH2 TIP3 8905 30.358 41.877 55.598 1.00 0.00 WT4 O ATOM 51857 H1 TIP3 8905 30.564 41.155 56.192 1.00 0.00 WT4 H ATOM 51858 H2 TIP3 8905 30.410 42.661 56.145 1.00 0.00 WT4 H ATOM 51859 OH2 TIP3 8907 62.434 54.930 -7.974 1.00 0.00 WT4 O ATOM 51860 H1 TIP3 8907 61.687 55.459 -7.693 1.00 0.00 WT4 H ATOM 51861 H2 TIP3 8907 63.144 55.562 -8.093 1.00 0.00 WT4 H ATOM 51862 OH2 TIP3 8911 73.602 68.108 44.629 1.00 0.00 WT4 O ATOM 51863 H1 TIP3 8911 73.265 67.215 44.697 1.00 0.00 WT4 H ATOM 51864 H2 TIP3 8911 74.156 68.096 43.849 1.00 0.00 WT4 H ATOM 51865 OH2 TIP3 8913 26.078 87.773 45.398 1.00 0.00 WT4 O ATOM 51866 H1 TIP3 8913 26.585 87.862 44.591 1.00 0.00 WT4 H ATOM 51867 H2 TIP3 8913 25.998 88.667 45.731 1.00 0.00 WT4 H ATOM 51868 OH2 TIP3 8914 79.663 93.102 41.863 1.00 0.00 WT4 O ATOM 51869 H1 TIP3 8914 80.002 93.979 42.041 1.00 0.00 WT4 H ATOM 51870 H2 TIP3 8914 80.389 92.646 41.436 1.00 0.00 WT4 H ATOM 51871 OH2 TIP3 8925 59.601 80.181 41.246 1.00 0.00 WT4 O ATOM 51872 H1 TIP3 8925 59.936 80.653 40.483 1.00 0.00 WT4 H ATOM 51873 H2 TIP3 8925 60.282 79.540 41.450 1.00 0.00 WT4 H ATOM 51874 OH2 TIP3 8926 28.693 79.032 46.052 1.00 0.00 WT4 O ATOM 51875 H1 TIP3 8926 28.615 78.293 45.448 1.00 0.00 WT4 H ATOM 51876 H2 TIP3 8926 28.196 78.764 46.825 1.00 0.00 WT4 H ATOM 51877 OH2 TIP3 8927 87.957 85.249 42.642 1.00 0.00 WT4 O ATOM 51878 H1 TIP3 8927 87.055 85.332 42.951 1.00 0.00 WT4 H ATOM 51879 H2 TIP3 8927 88.055 85.948 41.996 1.00 0.00 WT4 H ATOM 51880 OH2 TIP3 8929 55.920 14.978 66.295 1.00 0.00 WT4 O ATOM 51881 H1 TIP3 8929 55.446 14.241 65.909 1.00 0.00 WT4 H ATOM 51882 H2 TIP3 8929 55.964 15.629 65.595 1.00 0.00 WT4 H ATOM 51883 OH2 TIP3 8930 44.199 78.410 2.310 1.00 0.00 WT4 O ATOM 51884 H1 TIP3 8930 43.899 77.705 2.884 1.00 0.00 WT4 H ATOM 51885 H2 TIP3 8930 44.980 78.056 1.884 1.00 0.00 WT4 H ATOM 51886 OH2 TIP3 8931 80.714 68.914 -3.369 1.00 0.00 WT4 O ATOM 51887 H1 TIP3 8931 80.536 69.853 -3.312 1.00 0.00 WT4 H ATOM 51888 H2 TIP3 8931 79.920 68.499 -3.032 1.00 0.00 WT4 H ATOM 51889 OH2 TIP3 8932 84.198 45.950 5.629 1.00 0.00 WT4 O ATOM 51890 H1 TIP3 8932 83.467 46.023 5.016 1.00 0.00 WT4 H ATOM 51891 H2 TIP3 8932 84.811 45.351 5.202 1.00 0.00 WT4 H ATOM 51892 OH2 TIP3 8935 27.683 20.886 66.829 1.00 0.00 WT4 O ATOM 51893 H1 TIP3 8935 27.502 20.572 65.943 1.00 0.00 WT4 H ATOM 51894 H2 TIP3 8935 27.429 20.159 67.398 1.00 0.00 WT4 H ATOM 51895 OH2 TIP3 8944 42.716 68.564 34.474 1.00 0.00 WT4 O ATOM 51896 H1 TIP3 8944 42.890 67.822 33.895 1.00 0.00 WT4 H ATOM 51897 H2 TIP3 8944 43.538 69.055 34.489 1.00 0.00 WT4 H ATOM 51898 OH2 TIP3 8949 58.173 43.152 -16.108 1.00 0.00 WT4 O ATOM 51899 H1 TIP3 8949 58.640 43.953 -15.870 1.00 0.00 WT4 H ATOM 51900 H2 TIP3 8949 57.794 42.841 -15.285 1.00 0.00 WT4 H ATOM 51901 OH2 TIP3 8951 21.656 69.375 21.060 1.00 0.00 WT4 O ATOM 51902 H1 TIP3 8951 20.838 69.657 21.468 1.00 0.00 WT4 H ATOM 51903 H2 TIP3 8951 21.786 68.480 21.376 1.00 0.00 WT4 H ATOM 51904 OH2 TIP3 8953 72.992 55.995 18.861 1.00 0.00 WT4 O ATOM 51905 H1 TIP3 8953 72.057 56.136 19.004 1.00 0.00 WT4 H ATOM 51906 H2 TIP3 8953 73.042 55.148 18.418 1.00 0.00 WT4 H ATOM 51907 OH2 TIP3 8954 64.121 76.814 32.210 1.00 0.00 WT4 O ATOM 51908 H1 TIP3 8954 63.494 77.471 31.908 1.00 0.00 WT4 H ATOM 51909 H2 TIP3 8954 63.581 76.136 32.616 1.00 0.00 WT4 H ATOM 51910 OH2 TIP3 8969 24.382 16.276 60.859 1.00 0.00 WT4 O ATOM 51911 H1 TIP3 8969 24.369 15.798 60.030 1.00 0.00 WT4 H ATOM 51912 H2 TIP3 8969 24.293 15.598 61.529 1.00 0.00 WT4 H ATOM 51913 OH2 TIP3 8970 58.647 90.811 -17.814 1.00 0.00 WT4 O ATOM 51914 H1 TIP3 8970 59.516 90.442 -17.973 1.00 0.00 WT4 H ATOM 51915 H2 TIP3 8970 58.285 90.276 -17.108 1.00 0.00 WT4 H ATOM 51916 OH2 TIP3 8972 23.387 18.531 57.652 1.00 0.00 WT4 O ATOM 51917 H1 TIP3 8972 23.689 18.203 58.498 1.00 0.00 WT4 H ATOM 51918 H2 TIP3 8972 24.069 18.267 57.035 1.00 0.00 WT4 H ATOM 51919 OH2 TIP3 8973 48.459 57.015 64.818 1.00 0.00 WT4 O ATOM 51920 H1 TIP3 8973 48.559 56.984 65.770 1.00 0.00 WT4 H ATOM 51921 H2 TIP3 8973 49.261 56.616 64.480 1.00 0.00 WT4 H ATOM 51922 OH2 TIP3 8974 31.750 82.880 58.872 1.00 0.00 WT4 O ATOM 51923 H1 TIP3 8974 32.000 83.579 58.267 1.00 0.00 WT4 H ATOM 51924 H2 TIP3 8974 31.691 82.098 58.323 1.00 0.00 WT4 H ATOM 51925 OH2 TIP3 8975 65.884 25.587 14.069 1.00 0.00 WT4 O ATOM 51926 H1 TIP3 8975 65.351 25.172 13.390 1.00 0.00 WT4 H ATOM 51927 H2 TIP3 8975 65.291 26.207 14.493 1.00 0.00 WT4 H ATOM 51928 OH2 TIP3 8976 39.810 14.822 4.923 1.00 0.00 WT4 O ATOM 51929 H1 TIP3 8976 40.165 13.934 4.874 1.00 0.00 WT4 H ATOM 51930 H2 TIP3 8976 39.144 14.852 4.236 1.00 0.00 WT4 H ATOM 51931 OH2 TIP3 8977 34.619 84.041 3.285 1.00 0.00 WT4 O ATOM 51932 H1 TIP3 8977 35.123 83.672 4.009 1.00 0.00 WT4 H ATOM 51933 H2 TIP3 8977 35.225 84.038 2.544 1.00 0.00 WT4 H ATOM 51934 OH2 TIP3 8978 35.939 38.224 -17.171 1.00 0.00 WT4 O ATOM 51935 H1 TIP3 8978 36.888 38.291 -17.068 1.00 0.00 WT4 H ATOM 51936 H2 TIP3 8978 35.582 38.781 -16.479 1.00 0.00 WT4 H ATOM 51937 OH2 TIP3 8988 39.973 51.260 2.492 1.00 0.00 WT4 O ATOM 51938 H1 TIP3 8988 39.782 50.322 2.483 1.00 0.00 WT4 H ATOM 51939 H2 TIP3 8988 40.867 51.319 2.830 1.00 0.00 WT4 H ATOM 51940 OH2 TIP3 8992 28.934 8.398 43.552 1.00 0.00 WT4 O ATOM 51941 H1 TIP3 8992 29.201 9.293 43.340 1.00 0.00 WT4 H ATOM 51942 H2 TIP3 8992 29.616 8.077 44.142 1.00 0.00 WT4 H ATOM 51943 OH2 TIP3 8995 45.082 77.523 61.147 1.00 0.00 WT4 O ATOM 51944 H1 TIP3 8995 45.577 76.705 61.181 1.00 0.00 WT4 H ATOM 51945 H2 TIP3 8995 44.551 77.450 60.354 1.00 0.00 WT4 H ATOM 51946 OH2 TIP3 8996 55.438 80.686 31.229 1.00 0.00 WT4 O ATOM 51947 H1 TIP3 8996 55.932 80.057 30.704 1.00 0.00 WT4 H ATOM 51948 H2 TIP3 8996 54.539 80.357 31.215 1.00 0.00 WT4 H ATOM 51949 OH2 TIP3 8997 42.832 83.970 -6.885 1.00 0.00 WT4 O ATOM 51950 H1 TIP3 8997 41.881 83.961 -6.777 1.00 0.00 WT4 H ATOM 51951 H2 TIP3 8997 43.176 83.954 -5.992 1.00 0.00 WT4 H ATOM 51952 OH2 TIP3 9008 64.385 76.164 20.533 1.00 0.00 WT4 O ATOM 51953 H1 TIP3 9008 64.767 75.801 19.734 1.00 0.00 WT4 H ATOM 51954 H2 TIP3 9008 64.420 75.445 21.164 1.00 0.00 WT4 H ATOM 51955 OH2 TIP3 9009 30.671 51.966 24.858 1.00 0.00 WT4 O ATOM 51956 H1 TIP3 9009 30.982 51.585 24.037 1.00 0.00 WT4 H ATOM 51957 H2 TIP3 9009 30.592 52.902 24.672 1.00 0.00 WT4 H ATOM 51958 OH2 TIP3 9014 28.149 69.311 53.745 1.00 0.00 WT4 O ATOM 51959 H1 TIP3 9014 28.647 69.800 53.090 1.00 0.00 WT4 H ATOM 51960 H2 TIP3 9014 28.078 69.910 54.489 1.00 0.00 WT4 H ATOM 51961 OH2 TIP3 9015 22.193 56.665 53.510 1.00 0.00 WT4 O ATOM 51962 H1 TIP3 9015 21.887 56.936 54.375 1.00 0.00 WT4 H ATOM 51963 H2 TIP3 9015 22.373 57.486 53.051 1.00 0.00 WT4 H ATOM 51964 OH2 TIP3 9019 44.228 10.191 60.868 1.00 0.00 WT4 O ATOM 51965 H1 TIP3 9019 44.670 11.024 61.034 1.00 0.00 WT4 H ATOM 51966 H2 TIP3 9019 44.399 10.009 59.944 1.00 0.00 WT4 H ATOM 51967 OH2 TIP3 9024 44.848 25.771 -15.652 1.00 0.00 WT4 O ATOM 51968 H1 TIP3 9024 44.888 26.690 -15.916 1.00 0.00 WT4 H ATOM 51969 H2 TIP3 9024 44.041 25.441 -16.047 1.00 0.00 WT4 H ATOM 51970 OH2 TIP3 9039 48.386 13.215 4.360 1.00 0.00 WT4 O ATOM 51971 H1 TIP3 9039 48.952 13.884 3.976 1.00 0.00 WT4 H ATOM 51972 H2 TIP3 9039 47.668 13.707 4.758 1.00 0.00 WT4 H ATOM 51973 OH2 TIP3 9047 67.231 90.440 7.958 1.00 0.00 WT4 O ATOM 51974 H1 TIP3 9047 66.719 90.143 7.206 1.00 0.00 WT4 H ATOM 51975 H2 TIP3 9047 67.011 89.825 8.658 1.00 0.00 WT4 H ATOM 51976 OH2 TIP3 9054 27.695 74.335 20.263 1.00 0.00 WT4 O ATOM 51977 H1 TIP3 9054 27.515 73.418 20.052 1.00 0.00 WT4 H ATOM 51978 H2 TIP3 9054 27.328 74.826 19.529 1.00 0.00 WT4 H ATOM 51979 OH2 TIP3 9055 24.959 46.340 57.294 1.00 0.00 WT4 O ATOM 51980 H1 TIP3 9055 24.654 47.238 57.163 1.00 0.00 WT4 H ATOM 51981 H2 TIP3 9055 24.158 45.821 57.356 1.00 0.00 WT4 H ATOM 51982 OH2 TIP3 9060 63.364 90.239 -3.283 1.00 0.00 WT4 O ATOM 51983 H1 TIP3 9060 62.716 90.251 -2.579 1.00 0.00 WT4 H ATOM 51984 H2 TIP3 9060 63.973 89.543 -3.037 1.00 0.00 WT4 H ATOM 51985 OH2 TIP3 9072 37.649 12.692 12.039 1.00 0.00 WT4 O ATOM 51986 H1 TIP3 9072 37.416 11.925 12.562 1.00 0.00 WT4 H ATOM 51987 H2 TIP3 9072 38.588 12.599 11.881 1.00 0.00 WT4 H ATOM 51988 OH2 TIP3 9082 50.122 15.019 50.851 1.00 0.00 WT4 O ATOM 51989 H1 TIP3 9082 50.818 14.462 50.503 1.00 0.00 WT4 H ATOM 51990 H2 TIP3 9082 49.398 14.912 50.234 1.00 0.00 WT4 H ATOM 51991 OH2 TIP3 9094 34.981 93.540 39.949 1.00 0.00 WT4 O ATOM 51992 H1 TIP3 9094 34.210 93.604 40.513 1.00 0.00 WT4 H ATOM 51993 H2 TIP3 9094 34.961 92.643 39.617 1.00 0.00 WT4 H ATOM 51994 OH2 TIP3 9096 71.302 62.154 -15.424 1.00 0.00 WT4 O ATOM 51995 H1 TIP3 9096 70.678 61.428 -15.424 1.00 0.00 WT4 H ATOM 51996 H2 TIP3 9096 70.789 62.910 -15.139 1.00 0.00 WT4 H ATOM 51997 OH2 TIP3 9117 70.112 15.670 42.716 1.00 0.00 WT4 O ATOM 51998 H1 TIP3 9117 70.317 14.840 43.148 1.00 0.00 WT4 H ATOM 51999 H2 TIP3 9117 69.344 15.477 42.178 1.00 0.00 WT4 H ATOM 52000 OH2 TIP3 9201 49.811 24.047 2.342 1.00 0.00 WT4 O ATOM 52001 H1 TIP3 9201 50.257 23.270 2.678 1.00 0.00 WT4 H ATOM 52002 H2 TIP3 9201 49.793 24.653 3.083 1.00 0.00 WT4 H ATOM 52003 OH2 TIP3 9226 56.419 87.198 12.350 1.00 0.00 WT4 O ATOM 52004 H1 TIP3 9226 56.214 87.573 11.494 1.00 0.00 WT4 H ATOM 52005 H2 TIP3 9226 56.056 87.822 12.979 1.00 0.00 WT4 H ATOM 52006 OH2 TIP3 9241 48.709 85.212 -15.232 1.00 0.00 WT4 O ATOM 52007 H1 TIP3 9241 48.633 84.426 -14.691 1.00 0.00 WT4 H ATOM 52008 H2 TIP3 9241 48.130 85.849 -14.813 1.00 0.00 WT4 H ATOM 52009 OH2 TIP3 9243 77.003 95.679 32.831 1.00 0.00 WT4 O ATOM 52010 H1 TIP3 9243 77.521 95.256 33.516 1.00 0.00 WT4 H ATOM 52011 H2 TIP3 9243 76.168 95.882 33.252 1.00 0.00 WT4 H ATOM 52012 OH2 TIP3 9246 74.471 68.701 -18.280 1.00 0.00 WT4 O ATOM 52013 H1 TIP3 9246 74.261 69.535 -18.700 1.00 0.00 WT4 H ATOM 52014 H2 TIP3 9246 75.287 68.869 -17.809 1.00 0.00 WT4 H ATOM 52015 OH2 TIP3 9250 22.037 40.716 53.801 1.00 0.00 WT4 O ATOM 52016 H1 TIP3 9250 22.036 41.657 53.973 1.00 0.00 WT4 H ATOM 52017 H2 TIP3 9250 22.958 40.462 53.861 1.00 0.00 WT4 H ATOM 52018 OH2 TIP3 9261 31.118 34.220 63.319 1.00 0.00 WT4 O ATOM 52019 H1 TIP3 9261 32.073 34.170 63.369 1.00 0.00 WT4 H ATOM 52020 H2 TIP3 9261 30.827 33.310 63.383 1.00 0.00 WT4 H ATOM 52021 OH2 TIP3 2 33.819 4.189 -3.771 1.00 0.00 WT5 O ATOM 52022 H1 TIP3 2 34.603 3.995 -3.257 1.00 0.00 WT5 H ATOM 52023 H2 TIP3 2 34.070 3.998 -4.674 1.00 0.00 WT5 H ATOM 52024 OH2 TIP3 5 27.425 56.292 1.471 1.00 0.00 WT5 O ATOM 52025 H1 TIP3 5 28.334 56.521 1.665 1.00 0.00 WT5 H ATOM 52026 H2 TIP3 5 27.181 55.674 2.160 1.00 0.00 WT5 H ATOM 52027 OH2 TIP3 8 84.296 21.221 35.061 1.00 0.00 WT5 O ATOM 52028 H1 TIP3 8 85.239 21.361 35.145 1.00 0.00 WT5 H ATOM 52029 H2 TIP3 8 84.100 20.525 35.687 1.00 0.00 WT5 H ATOM 52030 OH2 TIP3 14 39.049 38.383 -10.710 1.00 0.00 WT5 O ATOM 52031 H1 TIP3 14 39.225 38.394 -11.650 1.00 0.00 WT5 H ATOM 52032 H2 TIP3 14 38.094 38.417 -10.643 1.00 0.00 WT5 H ATOM 52033 OH2 TIP3 15 67.494 51.019 8.939 1.00 0.00 WT5 O ATOM 52034 H1 TIP3 15 67.670 51.276 9.844 1.00 0.00 WT5 H ATOM 52035 H2 TIP3 15 66.610 50.652 8.962 1.00 0.00 WT5 H ATOM 52036 OH2 TIP3 19 21.894 32.013 27.981 1.00 0.00 WT5 O ATOM 52037 H1 TIP3 19 22.065 31.856 27.052 1.00 0.00 WT5 H ATOM 52038 H2 TIP3 19 21.482 32.877 28.007 1.00 0.00 WT5 H ATOM 52039 OH2 TIP3 40 70.412 90.891 42.779 1.00 0.00 WT5 O ATOM 52040 H1 TIP3 40 70.805 91.519 42.173 1.00 0.00 WT5 H ATOM 52041 H2 TIP3 40 70.214 91.405 43.562 1.00 0.00 WT5 H ATOM 52042 OH2 TIP3 42 77.356 51.183 36.150 1.00 0.00 WT5 O ATOM 52043 H1 TIP3 42 76.505 50.994 35.754 1.00 0.00 WT5 H ATOM 52044 H2 TIP3 42 77.749 51.838 35.573 1.00 0.00 WT5 H ATOM 52045 OH2 TIP3 44 66.824 16.416 9.326 1.00 0.00 WT5 O ATOM 52046 H1 TIP3 44 66.322 15.946 9.992 1.00 0.00 WT5 H ATOM 52047 H2 TIP3 44 67.715 16.075 9.411 1.00 0.00 WT5 H ATOM 52048 OH2 TIP3 48 86.625 58.810 -16.557 1.00 0.00 WT5 O ATOM 52049 H1 TIP3 48 85.971 58.121 -16.444 1.00 0.00 WT5 H ATOM 52050 H2 TIP3 48 86.139 59.544 -16.934 1.00 0.00 WT5 H ATOM 52051 OH2 TIP3 52 23.617 8.504 -14.940 1.00 0.00 WT5 O ATOM 52052 H1 TIP3 52 22.841 7.999 -14.697 1.00 0.00 WT5 H ATOM 52053 H2 TIP3 52 24.333 7.870 -14.916 1.00 0.00 WT5 H ATOM 52054 OH2 TIP3 53 27.530 87.542 43.193 1.00 0.00 WT5 O ATOM 52055 H1 TIP3 53 27.172 87.835 42.355 1.00 0.00 WT5 H ATOM 52056 H2 TIP3 53 27.733 86.617 43.058 1.00 0.00 WT5 H ATOM 52057 OH2 TIP3 55 38.062 53.041 12.225 1.00 0.00 WT5 O ATOM 52058 H1 TIP3 55 38.127 53.309 13.142 1.00 0.00 WT5 H ATOM 52059 H2 TIP3 55 37.426 53.646 11.843 1.00 0.00 WT5 H ATOM 52060 OH2 TIP3 61 60.751 85.105 47.018 1.00 0.00 WT5 O ATOM 52061 H1 TIP3 61 60.313 84.408 46.530 1.00 0.00 WT5 H ATOM 52062 H2 TIP3 61 60.166 85.859 46.937 1.00 0.00 WT5 H ATOM 52063 OH2 TIP3 65 61.365 9.647 -14.560 1.00 0.00 WT5 O ATOM 52064 H1 TIP3 65 61.749 10.524 -14.583 1.00 0.00 WT5 H ATOM 52065 H2 TIP3 65 61.982 9.102 -15.049 1.00 0.00 WT5 H ATOM 52066 OH2 TIP3 67 72.473 90.758 60.198 1.00 0.00 WT5 O ATOM 52067 H1 TIP3 67 71.900 89.996 60.293 1.00 0.00 WT5 H ATOM 52068 H2 TIP3 67 72.287 91.294 60.969 1.00 0.00 WT5 H ATOM 52069 OH2 TIP3 77 32.001 79.933 61.449 1.00 0.00 WT5 O ATOM 52070 H1 TIP3 77 32.421 79.078 61.355 1.00 0.00 WT5 H ATOM 52071 H2 TIP3 77 32.667 80.560 61.165 1.00 0.00 WT5 H ATOM 52072 OH2 TIP3 78 58.435 32.000 5.532 1.00 0.00 WT5 O ATOM 52073 H1 TIP3 78 58.205 32.674 6.171 1.00 0.00 WT5 H ATOM 52074 H2 TIP3 78 59.379 32.098 5.408 1.00 0.00 WT5 H ATOM 52075 OH2 TIP3 87 39.880 1.084 66.409 1.00 0.00 WT5 O ATOM 52076 H1 TIP3 87 39.820 1.787 65.763 1.00 0.00 WT5 H ATOM 52077 H2 TIP3 87 39.017 0.671 66.396 1.00 0.00 WT5 H ATOM 52078 OH2 TIP3 89 71.444 92.482 9.457 1.00 0.00 WT5 O ATOM 52079 H1 TIP3 89 70.952 93.132 8.955 1.00 0.00 WT5 H ATOM 52080 H2 TIP3 89 70.963 91.664 9.326 1.00 0.00 WT5 H ATOM 52081 OH2 TIP3 94 68.815 0.505 43.250 1.00 0.00 WT5 O ATOM 52082 H1 TIP3 94 68.090 0.946 43.692 1.00 0.00 WT5 H ATOM 52083 H2 TIP3 94 68.465 0.272 42.390 1.00 0.00 WT5 H ATOM 52084 OH2 TIP3 95 49.569 79.502 23.082 1.00 0.00 WT5 O ATOM 52085 H1 TIP3 95 48.854 78.900 22.877 1.00 0.00 WT5 H ATOM 52086 H2 TIP3 95 49.930 79.175 23.906 1.00 0.00 WT5 H ATOM 52087 OH2 TIP3 103 65.091 49.210 60.982 1.00 0.00 WT5 O ATOM 52088 H1 TIP3 103 65.696 49.863 60.630 1.00 0.00 WT5 H ATOM 52089 H2 TIP3 103 64.755 49.604 61.787 1.00 0.00 WT5 H ATOM 52090 OH2 TIP3 113 78.268 20.661 60.360 1.00 0.00 WT5 O ATOM 52091 H1 TIP3 113 79.169 20.971 60.449 1.00 0.00 WT5 H ATOM 52092 H2 TIP3 113 77.749 21.459 60.255 1.00 0.00 WT5 H ATOM 52093 OH2 TIP3 115 83.368 69.239 -1.682 1.00 0.00 WT5 O ATOM 52094 H1 TIP3 115 83.186 68.697 -2.449 1.00 0.00 WT5 H ATOM 52095 H2 TIP3 115 83.066 68.714 -0.940 1.00 0.00 WT5 H ATOM 52096 OH2 TIP3 122 42.707 32.927 57.777 1.00 0.00 WT5 O ATOM 52097 H1 TIP3 122 41.771 32.815 57.617 1.00 0.00 WT5 H ATOM 52098 H2 TIP3 122 42.835 32.620 58.675 1.00 0.00 WT5 H ATOM 52099 OH2 TIP3 128 20.985 42.934 -11.419 1.00 0.00 WT5 O ATOM 52100 H1 TIP3 128 21.072 43.635 -10.773 1.00 0.00 WT5 H ATOM 52101 H2 TIP3 128 20.717 42.170 -10.908 1.00 0.00 WT5 H ATOM 52102 OH2 TIP3 135 29.451 89.504 57.139 1.00 0.00 WT5 O ATOM 52103 H1 TIP3 135 28.743 89.893 57.653 1.00 0.00 WT5 H ATOM 52104 H2 TIP3 135 29.913 90.253 56.762 1.00 0.00 WT5 H ATOM 52105 OH2 TIP3 137 45.037 42.465 -3.414 1.00 0.00 WT5 O ATOM 52106 H1 TIP3 137 45.138 43.402 -3.250 1.00 0.00 WT5 H ATOM 52107 H2 TIP3 137 44.864 42.087 -2.552 1.00 0.00 WT5 H ATOM 52108 OH2 TIP3 149 68.072 7.702 16.791 1.00 0.00 WT5 O ATOM 52109 H1 TIP3 149 67.898 8.638 16.889 1.00 0.00 WT5 H ATOM 52110 H2 TIP3 149 68.395 7.611 15.895 1.00 0.00 WT5 H ATOM 52111 OH2 TIP3 150 54.338 5.012 0.341 1.00 0.00 WT5 O ATOM 52112 H1 TIP3 150 54.222 5.937 0.560 1.00 0.00 WT5 H ATOM 52113 H2 TIP3 150 54.358 4.994 -0.616 1.00 0.00 WT5 H ATOM 52114 OH2 TIP3 153 68.225 28.108 14.400 1.00 0.00 WT5 O ATOM 52115 H1 TIP3 153 68.038 29.041 14.293 1.00 0.00 WT5 H ATOM 52116 H2 TIP3 153 68.207 27.967 15.347 1.00 0.00 WT5 H ATOM 52117 OH2 TIP3 155 69.155 63.907 24.809 1.00 0.00 WT5 O ATOM 52118 H1 TIP3 155 68.853 64.451 24.081 1.00 0.00 WT5 H ATOM 52119 H2 TIP3 155 68.566 64.123 25.531 1.00 0.00 WT5 H ATOM 52120 OH2 TIP3 165 77.850 44.839 -12.468 1.00 0.00 WT5 O ATOM 52121 H1 TIP3 165 78.806 44.866 -12.511 1.00 0.00 WT5 H ATOM 52122 H2 TIP3 165 77.638 45.220 -11.616 1.00 0.00 WT5 H ATOM 52123 OH2 TIP3 167 22.020 76.039 58.274 1.00 0.00 WT5 O ATOM 52124 H1 TIP3 167 22.453 76.577 57.612 1.00 0.00 WT5 H ATOM 52125 H2 TIP3 167 21.777 75.238 57.812 1.00 0.00 WT5 H ATOM 52126 OH2 TIP3 174 66.517 45.485 -4.626 1.00 0.00 WT5 O ATOM 52127 H1 TIP3 174 65.679 45.661 -4.198 1.00 0.00 WT5 H ATOM 52128 H2 TIP3 174 66.974 44.897 -4.026 1.00 0.00 WT5 H ATOM 52129 OH2 TIP3 175 57.004 22.430 31.728 1.00 0.00 WT5 O ATOM 52130 H1 TIP3 175 57.179 22.310 30.794 1.00 0.00 WT5 H ATOM 52131 H2 TIP3 175 57.535 23.187 31.976 1.00 0.00 WT5 H ATOM 52132 OH2 TIP3 177 75.985 24.294 33.318 1.00 0.00 WT5 O ATOM 52133 H1 TIP3 177 76.624 23.584 33.375 1.00 0.00 WT5 H ATOM 52134 H2 TIP3 177 75.948 24.509 32.386 1.00 0.00 WT5 H ATOM 52135 OH2 TIP3 178 88.147 79.419 10.645 1.00 0.00 WT5 O ATOM 52136 H1 TIP3 178 88.464 78.825 11.326 1.00 0.00 WT5 H ATOM 52137 H2 TIP3 178 87.295 79.717 10.964 1.00 0.00 WT5 H ATOM 52138 OH2 TIP3 191 22.210 47.316 -14.045 1.00 0.00 WT5 O ATOM 52139 H1 TIP3 191 21.424 47.019 -13.586 1.00 0.00 WT5 H ATOM 52140 H2 TIP3 191 22.300 46.712 -14.782 1.00 0.00 WT5 H ATOM 52141 OH2 TIP3 194 36.236 90.248 23.866 1.00 0.00 WT5 O ATOM 52142 H1 TIP3 194 35.549 90.904 23.984 1.00 0.00 WT5 H ATOM 52143 H2 TIP3 194 36.276 89.788 24.705 1.00 0.00 WT5 H ATOM 52144 OH2 TIP3 195 45.171 20.655 54.932 1.00 0.00 WT5 O ATOM 52145 H1 TIP3 195 45.131 21.608 55.016 1.00 0.00 WT5 H ATOM 52146 H2 TIP3 195 46.075 20.432 55.154 1.00 0.00 WT5 H ATOM 52147 OH2 TIP3 196 35.883 48.713 -0.857 1.00 0.00 WT5 O ATOM 52148 H1 TIP3 196 36.821 48.778 -1.035 1.00 0.00 WT5 H ATOM 52149 H2 TIP3 196 35.795 48.958 0.064 1.00 0.00 WT5 H ATOM 52150 OH2 TIP3 201 24.720 57.588 15.813 1.00 0.00 WT5 O ATOM 52151 H1 TIP3 201 24.598 58.158 16.572 1.00 0.00 WT5 H ATOM 52152 H2 TIP3 201 25.393 58.024 15.291 1.00 0.00 WT5 H ATOM 52153 OH2 TIP3 205 29.032 38.139 15.050 1.00 0.00 WT5 O ATOM 52154 H1 TIP3 205 29.175 38.536 14.191 1.00 0.00 WT5 H ATOM 52155 H2 TIP3 205 29.890 38.167 15.474 1.00 0.00 WT5 H ATOM 52156 OH2 TIP3 213 70.454 47.001 55.846 1.00 0.00 WT5 O ATOM 52157 H1 TIP3 213 70.867 46.181 55.577 1.00 0.00 WT5 H ATOM 52158 H2 TIP3 213 69.905 47.249 55.102 1.00 0.00 WT5 H ATOM 52159 OH2 TIP3 225 59.205 1.661 32.869 1.00 0.00 WT5 O ATOM 52160 H1 TIP3 225 58.800 0.807 32.714 1.00 0.00 WT5 H ATOM 52161 H2 TIP3 225 59.773 1.798 32.111 1.00 0.00 WT5 H ATOM 52162 OH2 TIP3 227 75.908 88.861 52.994 1.00 0.00 WT5 O ATOM 52163 H1 TIP3 227 75.635 89.754 53.205 1.00 0.00 WT5 H ATOM 52164 H2 TIP3 227 76.624 88.680 53.602 1.00 0.00 WT5 H ATOM 52165 OH2 TIP3 234 48.375 41.091 37.416 1.00 0.00 WT5 O ATOM 52166 H1 TIP3 234 48.714 40.771 36.581 1.00 0.00 WT5 H ATOM 52167 H2 TIP3 234 47.425 41.101 37.302 1.00 0.00 WT5 H ATOM 52168 OH2 TIP3 237 56.175 94.109 35.157 1.00 0.00 WT5 O ATOM 52169 H1 TIP3 237 55.741 93.496 35.751 1.00 0.00 WT5 H ATOM 52170 H2 TIP3 237 56.135 94.951 35.611 1.00 0.00 WT5 H ATOM 52171 OH2 TIP3 248 50.442 34.314 -11.165 1.00 0.00 WT5 O ATOM 52172 H1 TIP3 248 51.377 34.495 -11.062 1.00 0.00 WT5 H ATOM 52173 H2 TIP3 248 50.230 33.729 -10.438 1.00 0.00 WT5 H ATOM 52174 OH2 TIP3 250 64.202 69.863 2.768 1.00 0.00 WT5 O ATOM 52175 H1 TIP3 250 64.927 69.311 3.061 1.00 0.00 WT5 H ATOM 52176 H2 TIP3 250 63.813 70.197 3.576 1.00 0.00 WT5 H ATOM 52177 OH2 TIP3 261 89.520 88.979 61.001 1.00 0.00 WT5 O ATOM 52178 H1 TIP3 261 89.329 88.256 60.403 1.00 0.00 WT5 H ATOM 52179 H2 TIP3 261 90.470 88.955 61.111 1.00 0.00 WT5 H ATOM 52180 OH2 TIP3 267 35.162 61.278 14.405 1.00 0.00 WT5 O ATOM 52181 H1 TIP3 267 35.539 62.153 14.494 1.00 0.00 WT5 H ATOM 52182 H2 TIP3 267 35.669 60.735 15.009 1.00 0.00 WT5 H ATOM 52183 OH2 TIP3 268 50.173 4.310 9.874 1.00 0.00 WT5 O ATOM 52184 H1 TIP3 268 49.511 4.156 10.548 1.00 0.00 WT5 H ATOM 52185 H2 TIP3 268 49.782 4.969 9.300 1.00 0.00 WT5 H ATOM 52186 OH2 TIP3 283 82.296 71.533 -9.094 1.00 0.00 WT5 O ATOM 52187 H1 TIP3 283 81.564 72.149 -9.109 1.00 0.00 WT5 H ATOM 52188 H2 TIP3 283 82.557 71.448 -10.011 1.00 0.00 WT5 H ATOM 52189 OH2 TIP3 292 53.096 56.369 54.553 1.00 0.00 WT5 O ATOM 52190 H1 TIP3 292 52.279 55.950 54.285 1.00 0.00 WT5 H ATOM 52191 H2 TIP3 292 53.298 56.978 53.842 1.00 0.00 WT5 H ATOM 52192 OH2 TIP3 303 87.311 45.457 64.041 1.00 0.00 WT5 O ATOM 52193 H1 TIP3 303 86.836 44.711 63.676 1.00 0.00 WT5 H ATOM 52194 H2 TIP3 303 86.631 46.102 64.236 1.00 0.00 WT5 H ATOM 52195 OH2 TIP3 306 74.315 79.994 22.388 1.00 0.00 WT5 O ATOM 52196 H1 TIP3 306 73.451 79.596 22.491 1.00 0.00 WT5 H ATOM 52197 H2 TIP3 306 74.791 79.391 21.817 1.00 0.00 WT5 H ATOM 52198 OH2 TIP3 307 42.419 83.699 13.024 1.00 0.00 WT5 O ATOM 52199 H1 TIP3 307 41.932 83.385 13.786 1.00 0.00 WT5 H ATOM 52200 H2 TIP3 307 43.304 83.356 13.147 1.00 0.00 WT5 H ATOM 52201 OH2 TIP3 309 64.973 40.326 62.137 1.00 0.00 WT5 O ATOM 52202 H1 TIP3 309 64.611 40.791 62.891 1.00 0.00 WT5 H ATOM 52203 H2 TIP3 309 65.447 39.586 62.516 1.00 0.00 WT5 H ATOM 52204 OH2 TIP3 313 36.831 20.985 6.987 1.00 0.00 WT5 O ATOM 52205 H1 TIP3 313 37.507 20.526 7.487 1.00 0.00 WT5 H ATOM 52206 H2 TIP3 313 36.936 21.905 7.230 1.00 0.00 WT5 H ATOM 52207 OH2 TIP3 314 48.885 42.166 20.477 1.00 0.00 WT5 O ATOM 52208 H1 TIP3 314 48.805 42.992 19.999 1.00 0.00 WT5 H ATOM 52209 H2 TIP3 314 49.466 41.631 19.937 1.00 0.00 WT5 H ATOM 52210 OH2 TIP3 323 64.738 51.366 2.054 1.00 0.00 WT5 O ATOM 52211 H1 TIP3 323 63.792 51.358 2.198 1.00 0.00 WT5 H ATOM 52212 H2 TIP3 323 64.847 51.781 1.198 1.00 0.00 WT5 H ATOM 52213 OH2 TIP3 325 73.944 95.855 65.749 1.00 0.00 WT5 O ATOM 52214 H1 TIP3 325 74.332 95.592 66.584 1.00 0.00 WT5 H ATOM 52215 H2 TIP3 325 74.521 96.547 65.424 1.00 0.00 WT5 H ATOM 52216 OH2 TIP3 327 39.813 48.592 19.292 1.00 0.00 WT5 O ATOM 52217 H1 TIP3 327 40.443 49.292 19.464 1.00 0.00 WT5 H ATOM 52218 H2 TIP3 327 39.934 48.382 18.366 1.00 0.00 WT5 H ATOM 52219 OH2 TIP3 328 88.550 93.301 -1.975 1.00 0.00 WT5 O ATOM 52220 H1 TIP3 328 89.184 92.998 -1.326 1.00 0.00 WT5 H ATOM 52221 H2 TIP3 328 88.523 94.251 -1.860 1.00 0.00 WT5 H ATOM 52222 OH2 TIP3 329 23.745 69.116 -13.432 1.00 0.00 WT5 O ATOM 52223 H1 TIP3 329 24.575 68.641 -13.380 1.00 0.00 WT5 H ATOM 52224 H2 TIP3 329 23.947 69.989 -13.095 1.00 0.00 WT5 H ATOM 52225 OH2 TIP3 336 82.254 11.036 48.907 1.00 0.00 WT5 O ATOM 52226 H1 TIP3 336 81.712 10.689 48.198 1.00 0.00 WT5 H ATOM 52227 H2 TIP3 336 82.399 10.288 49.487 1.00 0.00 WT5 H ATOM 52228 OH2 TIP3 338 48.765 53.202 -7.370 1.00 0.00 WT5 O ATOM 52229 H1 TIP3 338 48.560 54.136 -7.314 1.00 0.00 WT5 H ATOM 52230 H2 TIP3 338 49.272 53.020 -6.580 1.00 0.00 WT5 H ATOM 52231 OH2 TIP3 344 83.680 49.637 35.183 1.00 0.00 WT5 O ATOM 52232 H1 TIP3 344 84.172 50.417 35.442 1.00 0.00 WT5 H ATOM 52233 H2 TIP3 344 83.163 49.412 35.956 1.00 0.00 WT5 H ATOM 52234 OH2 TIP3 347 36.849 51.179 2.827 1.00 0.00 WT5 O ATOM 52235 H1 TIP3 347 36.636 51.937 3.371 1.00 0.00 WT5 H ATOM 52236 H2 TIP3 347 37.798 51.228 2.709 1.00 0.00 WT5 H ATOM 52237 OH2 TIP3 352 45.524 47.455 33.375 1.00 0.00 WT5 O ATOM 52238 H1 TIP3 352 45.761 46.871 34.095 1.00 0.00 WT5 H ATOM 52239 H2 TIP3 352 45.039 46.899 32.765 1.00 0.00 WT5 H ATOM 52240 OH2 TIP3 359 87.292 5.364 -19.306 1.00 0.00 WT5 O ATOM 52241 H1 TIP3 359 87.041 5.281 -18.386 1.00 0.00 WT5 H ATOM 52242 H2 TIP3 359 87.345 6.308 -19.456 1.00 0.00 WT5 H ATOM 52243 OH2 TIP3 372 85.879 37.852 53.509 1.00 0.00 WT5 O ATOM 52244 H1 TIP3 372 86.362 37.078 53.800 1.00 0.00 WT5 H ATOM 52245 H2 TIP3 372 85.673 38.324 54.315 1.00 0.00 WT5 H ATOM 52246 OH2 TIP3 379 26.447 3.830 50.059 1.00 0.00 WT5 O ATOM 52247 H1 TIP3 379 27.211 3.313 49.805 1.00 0.00 WT5 H ATOM 52248 H2 TIP3 379 25.785 3.179 50.293 1.00 0.00 WT5 H ATOM 52249 OH2 TIP3 384 66.784 57.093 -5.747 1.00 0.00 WT5 O ATOM 52250 H1 TIP3 384 66.901 57.267 -4.813 1.00 0.00 WT5 H ATOM 52251 H2 TIP3 384 66.797 57.959 -6.156 1.00 0.00 WT5 H ATOM 52252 OH2 TIP3 389 65.968 36.653 5.879 1.00 0.00 WT5 O ATOM 52253 H1 TIP3 389 65.713 35.861 5.407 1.00 0.00 WT5 H ATOM 52254 H2 TIP3 389 65.295 37.295 5.653 1.00 0.00 WT5 H ATOM 52255 OH2 TIP3 391 28.955 62.463 -5.268 1.00 0.00 WT5 O ATOM 52256 H1 TIP3 391 29.203 62.897 -4.452 1.00 0.00 WT5 H ATOM 52257 H2 TIP3 391 28.829 61.546 -5.023 1.00 0.00 WT5 H ATOM 52258 OH2 TIP3 399 83.646 58.460 21.289 1.00 0.00 WT5 O ATOM 52259 H1 TIP3 399 83.953 58.074 20.468 1.00 0.00 WT5 H ATOM 52260 H2 TIP3 399 82.698 58.535 21.179 1.00 0.00 WT5 H ATOM 52261 OH2 TIP3 400 69.906 31.820 61.553 1.00 0.00 WT5 O ATOM 52262 H1 TIP3 400 69.811 32.754 61.742 1.00 0.00 WT5 H ATOM 52263 H2 TIP3 400 69.874 31.764 60.598 1.00 0.00 WT5 H ATOM 52264 OH2 TIP3 401 75.020 2.376 29.960 1.00 0.00 WT5 O ATOM 52265 H1 TIP3 401 74.287 2.954 30.170 1.00 0.00 WT5 H ATOM 52266 H2 TIP3 401 74.609 1.544 29.725 1.00 0.00 WT5 H ATOM 52267 OH2 TIP3 409 28.371 46.221 2.137 1.00 0.00 WT5 O ATOM 52268 H1 TIP3 409 28.154 47.105 1.839 1.00 0.00 WT5 H ATOM 52269 H2 TIP3 409 28.546 46.319 3.073 1.00 0.00 WT5 H ATOM 52270 OH2 TIP3 417 54.531 75.206 52.711 1.00 0.00 WT5 O ATOM 52271 H1 TIP3 417 53.904 75.100 51.995 1.00 0.00 WT5 H ATOM 52272 H2 TIP3 417 55.262 75.685 52.320 1.00 0.00 WT5 H ATOM 52273 OH2 TIP3 418 34.253 14.848 34.185 1.00 0.00 WT5 O ATOM 52274 H1 TIP3 418 34.976 15.278 34.641 1.00 0.00 WT5 H ATOM 52275 H2 TIP3 418 34.121 15.373 33.395 1.00 0.00 WT5 H ATOM 52276 OH2 TIP3 422 39.709 20.481 31.968 1.00 0.00 WT5 O ATOM 52277 H1 TIP3 422 40.662 20.456 31.877 1.00 0.00 WT5 H ATOM 52278 H2 TIP3 422 39.470 21.378 31.733 1.00 0.00 WT5 H ATOM 52279 OH2 TIP3 425 56.843 32.818 38.362 1.00 0.00 WT5 O ATOM 52280 H1 TIP3 425 56.701 33.623 38.859 1.00 0.00 WT5 H ATOM 52281 H2 TIP3 425 57.772 32.839 38.131 1.00 0.00 WT5 H ATOM 52282 OH2 TIP3 431 43.192 24.327 34.258 1.00 0.00 WT5 O ATOM 52283 H1 TIP3 431 42.395 24.010 33.834 1.00 0.00 WT5 H ATOM 52284 H2 TIP3 431 43.867 24.259 33.583 1.00 0.00 WT5 H ATOM 52285 OH2 TIP3 433 60.448 27.398 -6.546 1.00 0.00 WT5 O ATOM 52286 H1 TIP3 433 59.513 27.557 -6.416 1.00 0.00 WT5 H ATOM 52287 H2 TIP3 433 60.837 27.537 -5.682 1.00 0.00 WT5 H ATOM 52288 OH2 TIP3 460 26.214 87.829 48.774 1.00 0.00 WT5 O ATOM 52289 H1 TIP3 460 26.850 88.471 49.090 1.00 0.00 WT5 H ATOM 52290 H2 TIP3 460 25.504 87.860 49.415 1.00 0.00 WT5 H ATOM 52291 OH2 TIP3 462 55.224 79.437 4.766 1.00 0.00 WT5 O ATOM 52292 H1 TIP3 462 56.037 79.759 5.156 1.00 0.00 WT5 H ATOM 52293 H2 TIP3 462 54.975 78.692 5.312 1.00 0.00 WT5 H ATOM 52294 OH2 TIP3 463 30.979 43.850 34.228 1.00 0.00 WT5 O ATOM 52295 H1 TIP3 463 31.574 44.137 33.535 1.00 0.00 WT5 H ATOM 52296 H2 TIP3 463 30.237 43.464 33.762 1.00 0.00 WT5 H ATOM 52297 OH2 TIP3 470 70.363 46.230 59.304 1.00 0.00 WT5 O ATOM 52298 H1 TIP3 470 70.464 47.180 59.236 1.00 0.00 WT5 H ATOM 52299 H2 TIP3 470 70.547 46.035 60.223 1.00 0.00 WT5 H ATOM 52300 OH2 TIP3 472 89.297 81.355 -18.643 1.00 0.00 WT5 O ATOM 52301 H1 TIP3 472 88.603 81.626 -19.245 1.00 0.00 WT5 H ATOM 52302 H2 TIP3 472 89.108 81.826 -17.832 1.00 0.00 WT5 H ATOM 52303 OH2 TIP3 480 26.772 66.068 31.007 1.00 0.00 WT5 O ATOM 52304 H1 TIP3 480 26.464 66.944 30.775 1.00 0.00 WT5 H ATOM 52305 H2 TIP3 480 27.675 66.040 30.690 1.00 0.00 WT5 H ATOM 52306 OH2 TIP3 481 36.702 42.014 -12.895 1.00 0.00 WT5 O ATOM 52307 H1 TIP3 481 35.984 42.533 -12.534 1.00 0.00 WT5 H ATOM 52308 H2 TIP3 481 37.230 42.643 -13.387 1.00 0.00 WT5 H ATOM 52309 OH2 TIP3 485 33.877 34.259 63.516 1.00 0.00 WT5 O ATOM 52310 H1 TIP3 485 34.464 34.608 62.845 1.00 0.00 WT5 H ATOM 52311 H2 TIP3 485 34.210 33.379 63.692 1.00 0.00 WT5 H ATOM 52312 OH2 TIP3 486 68.227 17.896 3.262 1.00 0.00 WT5 O ATOM 52313 H1 TIP3 486 68.528 18.683 3.716 1.00 0.00 WT5 H ATOM 52314 H2 TIP3 486 67.525 18.203 2.689 1.00 0.00 WT5 H ATOM 52315 OH2 TIP3 489 54.966 95.946 -11.184 1.00 0.00 WT5 O ATOM 52316 H1 TIP3 489 54.387 95.389 -10.663 1.00 0.00 WT5 H ATOM 52317 H2 TIP3 489 54.674 95.819 -12.086 1.00 0.00 WT5 H ATOM 52318 OH2 TIP3 490 82.255 94.094 49.405 1.00 0.00 WT5 O ATOM 52319 H1 TIP3 490 81.465 94.562 49.675 1.00 0.00 WT5 H ATOM 52320 H2 TIP3 490 81.977 93.181 49.323 1.00 0.00 WT5 H ATOM 52321 OH2 TIP3 491 41.490 41.602 -3.055 1.00 0.00 WT5 O ATOM 52322 H1 TIP3 491 41.984 42.201 -2.496 1.00 0.00 WT5 H ATOM 52323 H2 TIP3 491 40.752 42.122 -3.372 1.00 0.00 WT5 H ATOM 52324 OH2 TIP3 494 75.673 3.686 -11.002 1.00 0.00 WT5 O ATOM 52325 H1 TIP3 494 75.227 2.929 -10.621 1.00 0.00 WT5 H ATOM 52326 H2 TIP3 494 75.861 4.254 -10.255 1.00 0.00 WT5 H ATOM 52327 OH2 TIP3 496 81.252 57.508 25.144 1.00 0.00 WT5 O ATOM 52328 H1 TIP3 496 81.956 57.519 25.793 1.00 0.00 WT5 H ATOM 52329 H2 TIP3 496 80.798 58.341 25.267 1.00 0.00 WT5 H ATOM 52330 OH2 TIP3 501 78.522 22.715 12.212 1.00 0.00 WT5 O ATOM 52331 H1 TIP3 501 79.327 22.663 11.698 1.00 0.00 WT5 H ATOM 52332 H2 TIP3 501 77.946 22.055 11.825 1.00 0.00 WT5 H ATOM 52333 OH2 TIP3 502 73.338 49.103 13.084 1.00 0.00 WT5 O ATOM 52334 H1 TIP3 502 73.287 48.918 14.021 1.00 0.00 WT5 H ATOM 52335 H2 TIP3 502 73.980 48.477 12.749 1.00 0.00 WT5 H ATOM 52336 OH2 TIP3 503 52.071 76.205 -13.094 1.00 0.00 WT5 O ATOM 52337 H1 TIP3 503 51.962 75.449 -12.518 1.00 0.00 WT5 H ATOM 52338 H2 TIP3 503 52.004 76.962 -12.512 1.00 0.00 WT5 H ATOM 52339 OH2 TIP3 506 77.567 88.861 -12.928 1.00 0.00 WT5 O ATOM 52340 H1 TIP3 506 77.200 89.089 -12.074 1.00 0.00 WT5 H ATOM 52341 H2 TIP3 506 77.461 89.654 -13.454 1.00 0.00 WT5 H ATOM 52342 OH2 TIP3 509 73.910 5.845 57.270 1.00 0.00 WT5 O ATOM 52343 H1 TIP3 509 73.472 6.570 56.825 1.00 0.00 WT5 H ATOM 52344 H2 TIP3 509 74.693 5.680 56.745 1.00 0.00 WT5 H ATOM 52345 OH2 TIP3 511 27.056 73.143 -16.657 1.00 0.00 WT5 O ATOM 52346 H1 TIP3 511 26.610 72.298 -16.595 1.00 0.00 WT5 H ATOM 52347 H2 TIP3 511 27.902 72.999 -16.233 1.00 0.00 WT5 H ATOM 52348 OH2 TIP3 515 33.791 87.586 62.458 1.00 0.00 WT5 O ATOM 52349 H1 TIP3 515 32.880 87.698 62.730 1.00 0.00 WT5 H ATOM 52350 H2 TIP3 515 34.101 88.476 62.289 1.00 0.00 WT5 H ATOM 52351 OH2 TIP3 516 37.075 81.095 8.519 1.00 0.00 WT5 O ATOM 52352 H1 TIP3 516 37.994 81.313 8.362 1.00 0.00 WT5 H ATOM 52353 H2 TIP3 516 36.697 81.006 7.645 1.00 0.00 WT5 H ATOM 52354 OH2 TIP3 520 59.478 34.235 34.105 1.00 0.00 WT5 O ATOM 52355 H1 TIP3 520 58.821 33.652 33.725 1.00 0.00 WT5 H ATOM 52356 H2 TIP3 520 59.003 34.727 34.775 1.00 0.00 WT5 H ATOM 52357 OH2 TIP3 521 88.011 74.860 20.367 1.00 0.00 WT5 O ATOM 52358 H1 TIP3 521 88.388 73.987 20.258 1.00 0.00 WT5 H ATOM 52359 H2 TIP3 521 88.050 75.023 21.309 1.00 0.00 WT5 H ATOM 52360 OH2 TIP3 526 23.792 79.360 44.284 1.00 0.00 WT5 O ATOM 52361 H1 TIP3 526 23.264 80.069 43.916 1.00 0.00 WT5 H ATOM 52362 H2 TIP3 526 23.281 78.568 44.117 1.00 0.00 WT5 H ATOM 52363 OH2 TIP3 540 79.250 92.919 -18.786 1.00 0.00 WT5 O ATOM 52364 H1 TIP3 540 79.321 93.530 -19.520 1.00 0.00 WT5 H ATOM 52365 H2 TIP3 540 79.631 93.390 -18.045 1.00 0.00 WT5 H ATOM 52366 OH2 TIP3 541 27.935 16.424 -4.580 1.00 0.00 WT5 O ATOM 52367 H1 TIP3 541 28.415 15.598 -4.631 1.00 0.00 WT5 H ATOM 52368 H2 TIP3 541 28.441 16.960 -3.970 1.00 0.00 WT5 H ATOM 52369 OH2 TIP3 545 85.780 81.632 7.538 1.00 0.00 WT5 O ATOM 52370 H1 TIP3 545 85.167 80.964 7.230 1.00 0.00 WT5 H ATOM 52371 H2 TIP3 545 86.619 81.383 7.150 1.00 0.00 WT5 H ATOM 52372 OH2 TIP3 548 26.967 6.893 13.194 1.00 0.00 WT5 O ATOM 52373 H1 TIP3 548 27.852 6.604 13.416 1.00 0.00 WT5 H ATOM 52374 H2 TIP3 548 26.829 7.675 13.729 1.00 0.00 WT5 H ATOM 52375 OH2 TIP3 550 72.907 75.467 4.229 1.00 0.00 WT5 O ATOM 52376 H1 TIP3 550 72.200 74.881 4.498 1.00 0.00 WT5 H ATOM 52377 H2 TIP3 550 73.150 75.933 5.029 1.00 0.00 WT5 H ATOM 52378 OH2 TIP3 551 55.092 20.933 41.629 1.00 0.00 WT5 O ATOM 52379 H1 TIP3 551 54.711 21.624 42.171 1.00 0.00 WT5 H ATOM 52380 H2 TIP3 551 55.606 20.405 42.239 1.00 0.00 WT5 H ATOM 52381 OH2 TIP3 555 75.903 35.292 0.671 1.00 0.00 WT5 O ATOM 52382 H1 TIP3 555 75.210 34.659 0.481 1.00 0.00 WT5 H ATOM 52383 H2 TIP3 555 75.897 35.886 -0.080 1.00 0.00 WT5 H ATOM 52384 OH2 TIP3 556 81.739 82.661 44.119 1.00 0.00 WT5 O ATOM 52385 H1 TIP3 556 81.905 81.789 43.760 1.00 0.00 WT5 H ATOM 52386 H2 TIP3 556 81.798 83.247 43.364 1.00 0.00 WT5 H ATOM 52387 OH2 TIP3 562 22.582 87.031 -0.927 1.00 0.00 WT5 O ATOM 52388 H1 TIP3 562 23.073 87.721 -0.482 1.00 0.00 WT5 H ATOM 52389 H2 TIP3 562 23.174 86.278 -0.929 1.00 0.00 WT5 H ATOM 52390 OH2 TIP3 564 36.137 28.498 20.264 1.00 0.00 WT5 O ATOM 52391 H1 TIP3 564 35.211 28.257 20.263 1.00 0.00 WT5 H ATOM 52392 H2 TIP3 564 36.232 29.092 19.520 1.00 0.00 WT5 H ATOM 52393 OH2 TIP3 566 82.741 82.948 8.055 1.00 0.00 WT5 O ATOM 52394 H1 TIP3 566 82.721 82.253 8.713 1.00 0.00 WT5 H ATOM 52395 H2 TIP3 566 82.234 82.600 7.321 1.00 0.00 WT5 H ATOM 52396 OH2 TIP3 570 88.764 79.192 28.620 1.00 0.00 WT5 O ATOM 52397 H1 TIP3 570 89.667 78.972 28.850 1.00 0.00 WT5 H ATOM 52398 H2 TIP3 570 88.846 79.871 27.950 1.00 0.00 WT5 H ATOM 52399 OH2 TIP3 573 73.143 82.668 48.238 1.00 0.00 WT5 O ATOM 52400 H1 TIP3 573 73.259 83.021 47.355 1.00 0.00 WT5 H ATOM 52401 H2 TIP3 573 74.033 82.563 48.574 1.00 0.00 WT5 H ATOM 52402 OH2 TIP3 575 27.996 0.476 63.594 1.00 0.00 WT5 O ATOM 52403 H1 TIP3 575 28.867 0.847 63.739 1.00 0.00 WT5 H ATOM 52404 H2 TIP3 575 27.476 0.789 64.335 1.00 0.00 WT5 H ATOM 52405 OH2 TIP3 576 67.749 45.825 -14.931 1.00 0.00 WT5 O ATOM 52406 H1 TIP3 576 68.642 46.026 -14.654 1.00 0.00 WT5 H ATOM 52407 H2 TIP3 576 67.195 46.373 -14.375 1.00 0.00 WT5 H ATOM 52408 OH2 TIP3 578 83.889 65.823 54.259 1.00 0.00 WT5 O ATOM 52409 H1 TIP3 578 83.126 65.304 54.007 1.00 0.00 WT5 H ATOM 52410 H2 TIP3 578 84.579 65.546 53.656 1.00 0.00 WT5 H ATOM 52411 OH2 TIP3 584 52.865 8.753 43.751 1.00 0.00 WT5 O ATOM 52412 H1 TIP3 584 52.362 8.062 43.321 1.00 0.00 WT5 H ATOM 52413 H2 TIP3 584 52.620 8.689 44.674 1.00 0.00 WT5 H ATOM 52414 OH2 TIP3 586 61.459 39.023 -12.472 1.00 0.00 WT5 O ATOM 52415 H1 TIP3 586 61.920 39.259 -11.667 1.00 0.00 WT5 H ATOM 52416 H2 TIP3 586 61.970 38.301 -12.839 1.00 0.00 WT5 H ATOM 52417 OH2 TIP3 591 41.520 6.724 59.024 1.00 0.00 WT5 O ATOM 52418 H1 TIP3 591 41.563 7.618 59.365 1.00 0.00 WT5 H ATOM 52419 H2 TIP3 591 41.619 6.824 58.077 1.00 0.00 WT5 H ATOM 52420 OH2 TIP3 593 43.618 28.256 53.719 1.00 0.00 WT5 O ATOM 52421 H1 TIP3 593 44.212 28.414 54.453 1.00 0.00 WT5 H ATOM 52422 H2 TIP3 593 44.191 27.988 53.001 1.00 0.00 WT5 H ATOM 52423 OH2 TIP3 594 25.738 91.520 38.847 1.00 0.00 WT5 O ATOM 52424 H1 TIP3 594 26.415 92.183 38.713 1.00 0.00 WT5 H ATOM 52425 H2 TIP3 594 26.223 90.726 39.073 1.00 0.00 WT5 H ATOM 52426 OH2 TIP3 599 34.103 28.103 29.730 1.00 0.00 WT5 O ATOM 52427 H1 TIP3 599 34.984 28.476 29.717 1.00 0.00 WT5 H ATOM 52428 H2 TIP3 599 33.539 28.830 29.995 1.00 0.00 WT5 H ATOM 52429 OH2 TIP3 600 24.183 41.288 5.409 1.00 0.00 WT5 O ATOM 52430 H1 TIP3 600 24.829 41.989 5.488 1.00 0.00 WT5 H ATOM 52431 H2 TIP3 600 23.645 41.367 6.197 1.00 0.00 WT5 H ATOM 52432 OH2 TIP3 602 50.542 36.100 36.849 1.00 0.00 WT5 O ATOM 52433 H1 TIP3 602 49.779 36.200 36.279 1.00 0.00 WT5 H ATOM 52434 H2 TIP3 602 51.005 36.934 36.778 1.00 0.00 WT5 H ATOM 52435 OH2 TIP3 606 37.401 32.005 58.256 1.00 0.00 WT5 O ATOM 52436 H1 TIP3 606 37.319 32.121 59.203 1.00 0.00 WT5 H ATOM 52437 H2 TIP3 606 36.502 31.880 57.951 1.00 0.00 WT5 H ATOM 52438 OH2 TIP3 610 79.842 25.258 -7.358 1.00 0.00 WT5 O ATOM 52439 H1 TIP3 610 80.237 26.047 -7.729 1.00 0.00 WT5 H ATOM 52440 H2 TIP3 610 78.899 25.406 -7.427 1.00 0.00 WT5 H ATOM 52441 OH2 TIP3 616 38.383 86.487 1.925 1.00 0.00 WT5 O ATOM 52442 H1 TIP3 616 38.475 87.077 1.176 1.00 0.00 WT5 H ATOM 52443 H2 TIP3 616 39.276 86.369 2.249 1.00 0.00 WT5 H ATOM 52444 OH2 TIP3 626 85.999 72.809 11.637 1.00 0.00 WT5 O ATOM 52445 H1 TIP3 626 85.973 73.324 12.444 1.00 0.00 WT5 H ATOM 52446 H2 TIP3 626 86.334 71.954 11.908 1.00 0.00 WT5 H ATOM 52447 OH2 TIP3 629 23.246 61.760 48.329 1.00 0.00 WT5 O ATOM 52448 H1 TIP3 629 22.441 61.629 47.827 1.00 0.00 WT5 H ATOM 52449 H2 TIP3 629 22.982 61.641 49.241 1.00 0.00 WT5 H ATOM 52450 OH2 TIP3 638 38.803 2.957 20.030 1.00 0.00 WT5 O ATOM 52451 H1 TIP3 638 39.110 2.369 19.339 1.00 0.00 WT5 H ATOM 52452 H2 TIP3 638 38.486 2.373 20.719 1.00 0.00 WT5 H ATOM 52453 OH2 TIP3 639 35.897 42.489 30.206 1.00 0.00 WT5 O ATOM 52454 H1 TIP3 639 36.813 42.262 30.365 1.00 0.00 WT5 H ATOM 52455 H2 TIP3 639 35.806 42.468 29.254 1.00 0.00 WT5 H ATOM 52456 OH2 TIP3 642 55.846 81.303 8.000 1.00 0.00 WT5 O ATOM 52457 H1 TIP3 642 56.661 80.922 8.327 1.00 0.00 WT5 H ATOM 52458 H2 TIP3 642 56.072 81.647 7.136 1.00 0.00 WT5 H ATOM 52459 OH2 TIP3 649 76.204 26.310 38.667 1.00 0.00 WT5 O ATOM 52460 H1 TIP3 649 76.784 26.731 38.032 1.00 0.00 WT5 H ATOM 52461 H2 TIP3 649 75.381 26.794 38.597 1.00 0.00 WT5 H ATOM 52462 OH2 TIP3 650 80.540 74.942 1.600 1.00 0.00 WT5 O ATOM 52463 H1 TIP3 650 80.473 75.892 1.698 1.00 0.00 WT5 H ATOM 52464 H2 TIP3 650 80.000 74.741 0.836 1.00 0.00 WT5 H ATOM 52465 OH2 TIP3 662 58.364 80.665 0.501 1.00 0.00 WT5 O ATOM 52466 H1 TIP3 662 57.741 80.049 0.115 1.00 0.00 WT5 H ATOM 52467 H2 TIP3 662 58.326 80.486 1.441 1.00 0.00 WT5 H ATOM 52468 OH2 TIP3 666 60.681 24.001 22.841 1.00 0.00 WT5 O ATOM 52469 H1 TIP3 666 60.257 24.458 23.567 1.00 0.00 WT5 H ATOM 52470 H2 TIP3 666 60.083 24.116 22.103 1.00 0.00 WT5 H ATOM 52471 OH2 TIP3 668 58.972 37.557 23.232 1.00 0.00 WT5 O ATOM 52472 H1 TIP3 668 58.525 36.870 23.727 1.00 0.00 WT5 H ATOM 52473 H2 TIP3 668 58.569 38.371 23.534 1.00 0.00 WT5 H ATOM 52474 OH2 TIP3 671 43.677 50.359 40.851 1.00 0.00 WT5 O ATOM 52475 H1 TIP3 671 43.359 50.654 39.998 1.00 0.00 WT5 H ATOM 52476 H2 TIP3 671 44.332 49.692 40.645 1.00 0.00 WT5 H ATOM 52477 OH2 TIP3 673 74.917 60.245 30.486 1.00 0.00 WT5 O ATOM 52478 H1 TIP3 673 74.584 59.681 29.788 1.00 0.00 WT5 H ATOM 52479 H2 TIP3 673 75.424 59.658 31.047 1.00 0.00 WT5 H ATOM 52480 OH2 TIP3 677 66.342 55.484 -1.097 1.00 0.00 WT5 O ATOM 52481 H1 TIP3 677 65.828 55.655 -0.308 1.00 0.00 WT5 H ATOM 52482 H2 TIP3 677 67.179 55.920 -0.937 1.00 0.00 WT5 H ATOM 52483 OH2 TIP3 678 74.741 56.193 30.593 1.00 0.00 WT5 O ATOM 52484 H1 TIP3 678 74.065 56.077 29.925 1.00 0.00 WT5 H ATOM 52485 H2 TIP3 678 74.297 56.000 31.419 1.00 0.00 WT5 H ATOM 52486 OH2 TIP3 684 38.005 86.501 13.732 1.00 0.00 WT5 O ATOM 52487 H1 TIP3 684 37.670 85.713 13.304 1.00 0.00 WT5 H ATOM 52488 H2 TIP3 684 38.932 86.315 13.887 1.00 0.00 WT5 H ATOM 52489 OH2 TIP3 688 79.589 58.231 -8.206 1.00 0.00 WT5 O ATOM 52490 H1 TIP3 688 78.850 58.293 -8.811 1.00 0.00 WT5 H ATOM 52491 H2 TIP3 688 79.478 58.975 -7.614 1.00 0.00 WT5 H ATOM 52492 OH2 TIP3 691 46.341 78.357 54.518 1.00 0.00 WT5 O ATOM 52493 H1 TIP3 691 47.085 78.281 55.115 1.00 0.00 WT5 H ATOM 52494 H2 TIP3 691 46.656 77.982 53.695 1.00 0.00 WT5 H ATOM 52495 OH2 TIP3 704 45.845 92.403 41.534 1.00 0.00 WT5 O ATOM 52496 H1 TIP3 704 45.965 91.541 41.134 1.00 0.00 WT5 H ATOM 52497 H2 TIP3 704 46.279 93.008 40.933 1.00 0.00 WT5 H ATOM 52498 OH2 TIP3 711 51.195 4.023 38.293 1.00 0.00 WT5 O ATOM 52499 H1 TIP3 711 50.260 3.930 38.477 1.00 0.00 WT5 H ATOM 52500 H2 TIP3 711 51.621 3.878 39.138 1.00 0.00 WT5 H ATOM 52501 OH2 TIP3 715 39.724 13.210 48.843 1.00 0.00 WT5 O ATOM 52502 H1 TIP3 715 39.936 13.228 49.776 1.00 0.00 WT5 H ATOM 52503 H2 TIP3 715 39.090 12.499 48.754 1.00 0.00 WT5 H ATOM 52504 OH2 TIP3 717 44.467 46.410 -12.413 1.00 0.00 WT5 O ATOM 52505 H1 TIP3 717 44.627 46.433 -13.357 1.00 0.00 WT5 H ATOM 52506 H2 TIP3 717 44.769 47.262 -12.099 1.00 0.00 WT5 H ATOM 52507 OH2 TIP3 721 21.540 32.557 1.971 1.00 0.00 WT5 O ATOM 52508 H1 TIP3 721 22.261 31.930 2.030 1.00 0.00 WT5 H ATOM 52509 H2 TIP3 721 21.960 33.384 1.737 1.00 0.00 WT5 H ATOM 52510 OH2 TIP3 722 86.049 7.517 53.012 1.00 0.00 WT5 O ATOM 52511 H1 TIP3 722 85.614 8.361 53.125 1.00 0.00 WT5 H ATOM 52512 H2 TIP3 722 86.187 7.442 52.067 1.00 0.00 WT5 H ATOM 52513 OH2 TIP3 733 83.500 91.757 3.081 1.00 0.00 WT5 O ATOM 52514 H1 TIP3 733 82.876 91.976 2.389 1.00 0.00 WT5 H ATOM 52515 H2 TIP3 733 83.660 90.820 2.973 1.00 0.00 WT5 H ATOM 52516 OH2 TIP3 738 62.929 25.549 -6.076 1.00 0.00 WT5 O ATOM 52517 H1 TIP3 738 63.102 24.637 -5.839 1.00 0.00 WT5 H ATOM 52518 H2 TIP3 738 62.824 25.998 -5.237 1.00 0.00 WT5 H ATOM 52519 OH2 TIP3 746 58.450 27.273 9.950 1.00 0.00 WT5 O ATOM 52520 H1 TIP3 746 58.721 26.826 10.752 1.00 0.00 WT5 H ATOM 52521 H2 TIP3 746 57.923 28.012 10.254 1.00 0.00 WT5 H ATOM 52522 OH2 TIP3 753 76.380 49.631 10.932 1.00 0.00 WT5 O ATOM 52523 H1 TIP3 753 76.816 49.088 11.588 1.00 0.00 WT5 H ATOM 52524 H2 TIP3 753 75.668 50.058 11.407 1.00 0.00 WT5 H ATOM 52525 OH2 TIP3 754 82.197 47.333 0.731 1.00 0.00 WT5 O ATOM 52526 H1 TIP3 754 82.514 48.219 0.906 1.00 0.00 WT5 H ATOM 52527 H2 TIP3 754 81.761 47.398 -0.119 1.00 0.00 WT5 H ATOM 52528 OH2 TIP3 761 43.885 62.611 -4.361 1.00 0.00 WT5 O ATOM 52529 H1 TIP3 761 44.634 62.053 -4.150 1.00 0.00 WT5 H ATOM 52530 H2 TIP3 761 43.368 62.633 -3.556 1.00 0.00 WT5 H ATOM 52531 OH2 TIP3 766 23.292 93.020 65.347 1.00 0.00 WT5 O ATOM 52532 H1 TIP3 766 23.757 93.029 66.184 1.00 0.00 WT5 H ATOM 52533 H2 TIP3 766 22.820 92.187 65.344 1.00 0.00 WT5 H ATOM 52534 OH2 TIP3 768 38.001 47.790 -4.985 1.00 0.00 WT5 O ATOM 52535 H1 TIP3 768 38.254 47.154 -5.654 1.00 0.00 WT5 H ATOM 52536 H2 TIP3 768 37.358 48.351 -5.418 1.00 0.00 WT5 H ATOM 52537 OH2 TIP3 771 26.016 76.939 33.416 1.00 0.00 WT5 O ATOM 52538 H1 TIP3 771 26.606 76.466 34.003 1.00 0.00 WT5 H ATOM 52539 H2 TIP3 771 26.493 76.993 32.589 1.00 0.00 WT5 H ATOM 52540 OH2 TIP3 773 37.632 61.904 46.486 1.00 0.00 WT5 O ATOM 52541 H1 TIP3 773 37.953 61.319 45.801 1.00 0.00 WT5 H ATOM 52542 H2 TIP3 773 37.237 62.636 46.011 1.00 0.00 WT5 H ATOM 52543 OH2 TIP3 778 25.242 63.903 18.565 1.00 0.00 WT5 O ATOM 52544 H1 TIP3 778 24.853 63.889 19.439 1.00 0.00 WT5 H ATOM 52545 H2 TIP3 778 25.758 64.709 18.546 1.00 0.00 WT5 H ATOM 52546 OH2 TIP3 779 31.041 1.948 5.724 1.00 0.00 WT5 O ATOM 52547 H1 TIP3 779 30.143 2.191 5.498 1.00 0.00 WT5 H ATOM 52548 H2 TIP3 779 31.581 2.636 5.335 1.00 0.00 WT5 H ATOM 52549 OH2 TIP3 792 37.457 81.057 -5.673 1.00 0.00 WT5 O ATOM 52550 H1 TIP3 792 38.292 81.184 -5.222 1.00 0.00 WT5 H ATOM 52551 H2 TIP3 792 36.995 81.888 -5.561 1.00 0.00 WT5 H ATOM 52552 OH2 TIP3 807 72.456 59.191 -9.611 1.00 0.00 WT5 O ATOM 52553 H1 TIP3 807 72.071 59.612 -8.843 1.00 0.00 WT5 H ATOM 52554 H2 TIP3 807 72.546 58.271 -9.362 1.00 0.00 WT5 H ATOM 52555 OH2 TIP3 808 45.352 83.532 -14.416 1.00 0.00 WT5 O ATOM 52556 H1 TIP3 808 44.864 82.710 -14.379 1.00 0.00 WT5 H ATOM 52557 H2 TIP3 808 44.958 84.075 -13.733 1.00 0.00 WT5 H ATOM 52558 OH2 TIP3 812 28.526 22.456 43.203 1.00 0.00 WT5 O ATOM 52559 H1 TIP3 812 28.160 22.101 44.013 1.00 0.00 WT5 H ATOM 52560 H2 TIP3 812 29.310 22.930 43.481 1.00 0.00 WT5 H ATOM 52561 OH2 TIP3 814 72.183 63.392 18.375 1.00 0.00 WT5 O ATOM 52562 H1 TIP3 814 72.074 63.138 17.459 1.00 0.00 WT5 H ATOM 52563 H2 TIP3 814 71.292 63.414 18.725 1.00 0.00 WT5 H ATOM 52564 OH2 TIP3 820 73.615 79.869 37.940 1.00 0.00 WT5 O ATOM 52565 H1 TIP3 820 72.771 80.284 37.763 1.00 0.00 WT5 H ATOM 52566 H2 TIP3 820 73.404 78.946 38.080 1.00 0.00 WT5 H ATOM 52567 OH2 TIP3 822 40.280 44.808 -13.040 1.00 0.00 WT5 O ATOM 52568 H1 TIP3 822 39.568 45.108 -12.475 1.00 0.00 WT5 H ATOM 52569 H2 TIP3 822 40.852 45.570 -13.131 1.00 0.00 WT5 H ATOM 52570 OH2 TIP3 824 54.398 73.004 8.807 1.00 0.00 WT5 O ATOM 52571 H1 TIP3 824 53.495 73.232 8.584 1.00 0.00 WT5 H ATOM 52572 H2 TIP3 824 54.319 72.439 9.576 1.00 0.00 WT5 H ATOM 52573 OH2 TIP3 827 77.358 8.297 1.944 1.00 0.00 WT5 O ATOM 52574 H1 TIP3 827 77.315 8.845 2.728 1.00 0.00 WT5 H ATOM 52575 H2 TIP3 827 78.255 8.400 1.628 1.00 0.00 WT5 H ATOM 52576 OH2 TIP3 829 49.343 32.825 -0.810 1.00 0.00 WT5 O ATOM 52577 H1 TIP3 829 49.971 33.154 -1.453 1.00 0.00 WT5 H ATOM 52578 H2 TIP3 829 48.602 33.428 -0.867 1.00 0.00 WT5 H ATOM 52579 OH2 TIP3 834 74.591 36.416 32.790 1.00 0.00 WT5 O ATOM 52580 H1 TIP3 834 75.137 36.655 33.540 1.00 0.00 WT5 H ATOM 52581 H2 TIP3 834 73.798 36.942 32.893 1.00 0.00 WT5 H ATOM 52582 OH2 TIP3 836 90.611 93.653 4.212 1.00 0.00 WT5 O ATOM 52583 H1 TIP3 836 89.840 94.125 4.527 1.00 0.00 WT5 H ATOM 52584 H2 TIP3 836 90.451 92.742 4.459 1.00 0.00 WT5 H ATOM 52585 OH2 TIP3 843 75.414 33.229 27.417 1.00 0.00 WT5 O ATOM 52586 H1 TIP3 843 74.527 32.888 27.530 1.00 0.00 WT5 H ATOM 52587 H2 TIP3 843 75.308 34.180 27.426 1.00 0.00 WT5 H ATOM 52588 OH2 TIP3 846 21.640 70.836 12.881 1.00 0.00 WT5 O ATOM 52589 H1 TIP3 846 22.138 71.488 13.374 1.00 0.00 WT5 H ATOM 52590 H2 TIP3 846 22.307 70.288 12.467 1.00 0.00 WT5 H ATOM 52591 OH2 TIP3 852 87.091 82.734 -13.178 1.00 0.00 WT5 O ATOM 52592 H1 TIP3 852 87.930 82.284 -13.276 1.00 0.00 WT5 H ATOM 52593 H2 TIP3 852 86.911 82.704 -12.238 1.00 0.00 WT5 H ATOM 52594 OH2 TIP3 854 34.500 93.543 -3.862 1.00 0.00 WT5 O ATOM 52595 H1 TIP3 854 34.541 94.412 -3.463 1.00 0.00 WT5 H ATOM 52596 H2 TIP3 854 33.783 93.602 -4.493 1.00 0.00 WT5 H ATOM 52597 OH2 TIP3 860 26.759 91.602 0.401 1.00 0.00 WT5 O ATOM 52598 H1 TIP3 860 26.562 92.249 -0.277 1.00 0.00 WT5 H ATOM 52599 H2 TIP3 860 25.906 91.246 0.648 1.00 0.00 WT5 H ATOM 52600 OH2 TIP3 868 58.741 60.983 58.791 1.00 0.00 WT5 O ATOM 52601 H1 TIP3 868 58.300 60.547 59.521 1.00 0.00 WT5 H ATOM 52602 H2 TIP3 868 58.495 61.904 58.877 1.00 0.00 WT5 H ATOM 52603 OH2 TIP3 878 63.100 77.300 60.720 1.00 0.00 WT5 O ATOM 52604 H1 TIP3 878 62.892 78.076 61.241 1.00 0.00 WT5 H ATOM 52605 H2 TIP3 878 62.260 76.855 60.606 1.00 0.00 WT5 H ATOM 52606 OH2 TIP3 880 22.093 12.865 33.596 1.00 0.00 WT5 O ATOM 52607 H1 TIP3 880 22.035 13.793 33.823 1.00 0.00 WT5 H ATOM 52608 H2 TIP3 880 23.032 12.686 33.553 1.00 0.00 WT5 H ATOM 52609 OH2 TIP3 884 63.020 32.131 52.112 1.00 0.00 WT5 O ATOM 52610 H1 TIP3 884 62.977 33.086 52.168 1.00 0.00 WT5 H ATOM 52611 H2 TIP3 884 62.900 31.940 51.181 1.00 0.00 WT5 H ATOM 52612 OH2 TIP3 889 61.704 96.587 58.419 1.00 0.00 WT5 O ATOM 52613 H1 TIP3 889 62.293 96.517 57.668 1.00 0.00 WT5 H ATOM 52614 H2 TIP3 889 60.945 96.054 58.179 1.00 0.00 WT5 H ATOM 52615 OH2 TIP3 892 42.492 77.736 -9.384 1.00 0.00 WT5 O ATOM 52616 H1 TIP3 892 43.175 77.579 -10.035 1.00 0.00 WT5 H ATOM 52617 H2 TIP3 892 42.514 76.962 -8.821 1.00 0.00 WT5 H ATOM 52618 OH2 TIP3 895 59.322 3.744 66.383 1.00 0.00 WT5 O ATOM 52619 H1 TIP3 895 59.192 2.848 66.073 1.00 0.00 WT5 H ATOM 52620 H2 TIP3 895 60.224 3.954 66.138 1.00 0.00 WT5 H ATOM 52621 OH2 TIP3 898 33.848 36.116 17.667 1.00 0.00 WT5 O ATOM 52622 H1 TIP3 898 34.063 36.766 18.335 1.00 0.00 WT5 H ATOM 52623 H2 TIP3 898 34.610 35.537 17.641 1.00 0.00 WT5 H ATOM 52624 OH2 TIP3 901 81.488 60.623 55.464 1.00 0.00 WT5 O ATOM 52625 H1 TIP3 901 80.738 61.149 55.741 1.00 0.00 WT5 H ATOM 52626 H2 TIP3 901 81.104 59.805 55.149 1.00 0.00 WT5 H ATOM 52627 OH2 TIP3 908 84.264 21.422 0.209 1.00 0.00 WT5 O ATOM 52628 H1 TIP3 908 85.156 21.074 0.217 1.00 0.00 WT5 H ATOM 52629 H2 TIP3 908 84.109 21.706 1.111 1.00 0.00 WT5 H ATOM 52630 OH2 TIP3 919 52.250 39.731 32.948 1.00 0.00 WT5 O ATOM 52631 H1 TIP3 919 53.170 39.542 33.130 1.00 0.00 WT5 H ATOM 52632 H2 TIP3 919 52.029 39.163 32.210 1.00 0.00 WT5 H ATOM 52633 OH2 TIP3 928 60.805 92.021 9.146 1.00 0.00 WT5 O ATOM 52634 H1 TIP3 928 60.057 92.252 8.596 1.00 0.00 WT5 H ATOM 52635 H2 TIP3 928 60.455 92.014 10.037 1.00 0.00 WT5 H ATOM 52636 OH2 TIP3 930 26.593 92.551 32.501 1.00 0.00 WT5 O ATOM 52637 H1 TIP3 930 26.736 93.045 33.309 1.00 0.00 WT5 H ATOM 52638 H2 TIP3 930 27.473 92.364 32.175 1.00 0.00 WT5 H ATOM 52639 OH2 TIP3 933 27.892 9.875 61.685 1.00 0.00 WT5 O ATOM 52640 H1 TIP3 933 28.637 9.438 61.273 1.00 0.00 WT5 H ATOM 52641 H2 TIP3 933 27.671 10.588 61.086 1.00 0.00 WT5 H ATOM 52642 OH2 TIP3 934 26.782 38.162 32.499 1.00 0.00 WT5 O ATOM 52643 H1 TIP3 934 27.104 38.090 31.601 1.00 0.00 WT5 H ATOM 52644 H2 TIP3 934 27.406 38.744 32.933 1.00 0.00 WT5 H ATOM 52645 OH2 TIP3 936 43.767 16.175 -5.649 1.00 0.00 WT5 O ATOM 52646 H1 TIP3 936 43.023 16.270 -5.053 1.00 0.00 WT5 H ATOM 52647 H2 TIP3 936 43.736 16.960 -6.196 1.00 0.00 WT5 H ATOM 52648 OH2 TIP3 940 72.940 79.427 -11.568 1.00 0.00 WT5 O ATOM 52649 H1 TIP3 940 72.406 78.638 -11.659 1.00 0.00 WT5 H ATOM 52650 H2 TIP3 940 72.382 80.041 -11.093 1.00 0.00 WT5 H ATOM 52651 OH2 TIP3 944 21.800 80.403 52.135 1.00 0.00 WT5 O ATOM 52652 H1 TIP3 944 22.581 80.711 51.674 1.00 0.00 WT5 H ATOM 52653 H2 TIP3 944 21.431 81.191 52.534 1.00 0.00 WT5 H ATOM 52654 OH2 TIP3 954 71.118 23.857 7.463 1.00 0.00 WT5 O ATOM 52655 H1 TIP3 954 70.419 24.341 7.902 1.00 0.00 WT5 H ATOM 52656 H2 TIP3 954 70.683 23.412 6.736 1.00 0.00 WT5 H ATOM 52657 OH2 TIP3 958 77.172 44.931 11.629 1.00 0.00 WT5 O ATOM 52658 H1 TIP3 958 77.675 44.307 12.152 1.00 0.00 WT5 H ATOM 52659 H2 TIP3 958 76.500 44.400 11.202 1.00 0.00 WT5 H ATOM 52660 OH2 TIP3 960 30.758 91.173 -14.593 1.00 0.00 WT5 O ATOM 52661 H1 TIP3 960 30.961 90.561 -15.301 1.00 0.00 WT5 H ATOM 52662 H2 TIP3 960 31.188 90.801 -13.823 1.00 0.00 WT5 H ATOM 52663 OH2 TIP3 969 71.908 67.119 -3.192 1.00 0.00 WT5 O ATOM 52664 H1 TIP3 969 71.300 67.440 -2.526 1.00 0.00 WT5 H ATOM 52665 H2 TIP3 969 71.346 66.796 -3.896 1.00 0.00 WT5 H ATOM 52666 OH2 TIP3 978 63.330 48.147 37.255 1.00 0.00 WT5 O ATOM 52667 H1 TIP3 978 63.651 48.940 36.826 1.00 0.00 WT5 H ATOM 52668 H2 TIP3 978 62.394 48.303 37.378 1.00 0.00 WT5 H ATOM 52669 OH2 TIP3 981 68.289 78.043 31.209 1.00 0.00 WT5 O ATOM 52670 H1 TIP3 981 68.031 77.893 32.119 1.00 0.00 WT5 H ATOM 52671 H2 TIP3 981 68.984 78.698 31.262 1.00 0.00 WT5 H ATOM 52672 OH2 TIP3 982 66.733 23.548 -17.376 1.00 0.00 WT5 O ATOM 52673 H1 TIP3 982 67.567 23.100 -17.234 1.00 0.00 WT5 H ATOM 52674 H2 TIP3 982 66.879 24.083 -18.157 1.00 0.00 WT5 H ATOM 52675 OH2 TIP3 983 57.005 35.997 -15.201 1.00 0.00 WT5 O ATOM 52676 H1 TIP3 983 57.618 36.731 -15.146 1.00 0.00 WT5 H ATOM 52677 H2 TIP3 983 56.245 36.280 -14.692 1.00 0.00 WT5 H ATOM 52678 OH2 TIP3 986 82.795 27.390 62.382 1.00 0.00 WT5 O ATOM 52679 H1 TIP3 986 82.445 28.001 61.733 1.00 0.00 WT5 H ATOM 52680 H2 TIP3 986 83.048 27.944 63.120 1.00 0.00 WT5 H ATOM 52681 OH2 TIP3 999 72.898 2.049 56.865 1.00 0.00 WT5 O ATOM 52682 H1 TIP3 999 72.744 1.405 56.173 1.00 0.00 WT5 H ATOM 52683 H2 TIP3 999 73.554 2.642 56.498 1.00 0.00 WT5 H ATOM 52684 OH2 TIP3 1013 29.139 52.472 21.671 1.00 0.00 WT5 O ATOM 52685 H1 TIP3 1013 29.027 52.641 20.735 1.00 0.00 WT5 H ATOM 52686 H2 TIP3 1013 29.454 51.570 21.716 1.00 0.00 WT5 H ATOM 52687 OH2 TIP3 1018 24.470 78.773 63.522 1.00 0.00 WT5 O ATOM 52688 H1 TIP3 1018 25.058 79.470 63.812 1.00 0.00 WT5 H ATOM 52689 H2 TIP3 1018 24.973 78.292 62.865 1.00 0.00 WT5 H ATOM 52690 OH2 TIP3 1019 48.524 7.067 35.862 1.00 0.00 WT5 O ATOM 52691 H1 TIP3 1019 48.394 6.128 35.731 1.00 0.00 WT5 H ATOM 52692 H2 TIP3 1019 49.364 7.132 36.316 1.00 0.00 WT5 H ATOM 52693 OH2 TIP3 1024 24.511 13.676 46.937 1.00 0.00 WT5 O ATOM 52694 H1 TIP3 1024 24.458 14.236 46.162 1.00 0.00 WT5 H ATOM 52695 H2 TIP3 1024 25.397 13.814 47.272 1.00 0.00 WT5 H ATOM 52696 OH2 TIP3 1025 37.784 25.001 46.331 1.00 0.00 WT5 O ATOM 52697 H1 TIP3 1025 37.510 25.365 47.173 1.00 0.00 WT5 H ATOM 52698 H2 TIP3 1025 38.634 24.599 46.510 1.00 0.00 WT5 H ATOM 52699 OH2 TIP3 1043 26.229 10.896 8.841 1.00 0.00 WT5 O ATOM 52700 H1 TIP3 1043 26.844 11.346 9.421 1.00 0.00 WT5 H ATOM 52701 H2 TIP3 1043 26.785 10.452 8.200 1.00 0.00 WT5 H ATOM 52702 OH2 TIP3 1048 41.672 13.032 -15.340 1.00 0.00 WT5 O ATOM 52703 H1 TIP3 1048 42.585 12.770 -15.216 1.00 0.00 WT5 H ATOM 52704 H2 TIP3 1048 41.318 12.384 -15.949 1.00 0.00 WT5 H ATOM 52705 OH2 TIP3 1052 62.339 7.274 35.513 1.00 0.00 WT5 O ATOM 52706 H1 TIP3 1052 62.050 7.383 36.418 1.00 0.00 WT5 H ATOM 52707 H2 TIP3 1052 63.273 7.481 35.532 1.00 0.00 WT5 H ATOM 52708 OH2 TIP3 1061 75.088 65.554 59.120 1.00 0.00 WT5 O ATOM 52709 H1 TIP3 1061 75.154 64.802 58.532 1.00 0.00 WT5 H ATOM 52710 H2 TIP3 1061 75.893 65.524 59.638 1.00 0.00 WT5 H ATOM 52711 OH2 TIP3 1066 20.206 10.678 8.096 1.00 0.00 WT5 O ATOM 52712 H1 TIP3 1066 20.342 11.498 8.572 1.00 0.00 WT5 H ATOM 52713 H2 TIP3 1066 20.842 10.707 7.382 1.00 0.00 WT5 H ATOM 52714 OH2 TIP3 1071 61.006 36.686 -17.035 1.00 0.00 WT5 O ATOM 52715 H1 TIP3 1071 60.168 36.979 -16.679 1.00 0.00 WT5 H ATOM 52716 H2 TIP3 1071 61.055 35.759 -16.802 1.00 0.00 WT5 H ATOM 52717 OH2 TIP3 1076 20.312 26.587 1.901 1.00 0.00 WT5 O ATOM 52718 H1 TIP3 1076 19.891 25.898 2.416 1.00 0.00 WT5 H ATOM 52719 H2 TIP3 1076 21.086 26.828 2.409 1.00 0.00 WT5 H ATOM 52720 OH2 TIP3 1077 37.152 37.206 56.104 1.00 0.00 WT5 O ATOM 52721 H1 TIP3 1077 37.288 37.815 56.830 1.00 0.00 WT5 H ATOM 52722 H2 TIP3 1077 37.282 36.340 56.490 1.00 0.00 WT5 H ATOM 52723 OH2 TIP3 1098 81.693 69.853 66.227 1.00 0.00 WT5 O ATOM 52724 H1 TIP3 1098 81.430 70.029 65.324 1.00 0.00 WT5 H ATOM 52725 H2 TIP3 1098 80.891 69.963 66.737 1.00 0.00 WT5 H ATOM 52726 OH2 TIP3 1104 89.885 21.653 12.023 1.00 0.00 WT5 O ATOM 52727 H1 TIP3 1104 90.267 20.961 11.482 1.00 0.00 WT5 H ATOM 52728 H2 TIP3 1104 89.993 22.450 11.504 1.00 0.00 WT5 H ATOM 52729 OH2 TIP3 1122 88.073 85.117 56.859 1.00 0.00 WT5 O ATOM 52730 H1 TIP3 1122 87.385 85.122 57.525 1.00 0.00 WT5 H ATOM 52731 H2 TIP3 1122 88.701 85.774 57.159 1.00 0.00 WT5 H ATOM 52732 OH2 TIP3 1125 44.994 70.252 -16.766 1.00 0.00 WT5 O ATOM 52733 H1 TIP3 1125 44.522 70.642 -16.030 1.00 0.00 WT5 H ATOM 52734 H2 TIP3 1125 44.421 69.549 -17.074 1.00 0.00 WT5 H ATOM 52735 OH2 TIP3 1138 69.754 36.451 42.273 1.00 0.00 WT5 O ATOM 52736 H1 TIP3 1138 69.167 36.799 41.601 1.00 0.00 WT5 H ATOM 52737 H2 TIP3 1138 69.639 37.039 43.020 1.00 0.00 WT5 H ATOM 52738 OH2 TIP3 1153 79.031 59.515 8.951 1.00 0.00 WT5 O ATOM 52739 H1 TIP3 1153 78.250 59.898 9.351 1.00 0.00 WT5 H ATOM 52740 H2 TIP3 1153 79.520 59.145 9.687 1.00 0.00 WT5 H ATOM 52741 OH2 TIP3 1154 36.466 68.774 37.586 1.00 0.00 WT5 O ATOM 52742 H1 TIP3 1154 36.668 69.680 37.353 1.00 0.00 WT5 H ATOM 52743 H2 TIP3 1154 37.267 68.290 37.383 1.00 0.00 WT5 H ATOM 52744 OH2 TIP3 1163 84.777 53.395 -7.357 1.00 0.00 WT5 O ATOM 52745 H1 TIP3 1163 84.483 53.264 -6.455 1.00 0.00 WT5 H ATOM 52746 H2 TIP3 1163 83.972 53.380 -7.875 1.00 0.00 WT5 H ATOM 52747 OH2 TIP3 1168 27.269 15.764 5.706 1.00 0.00 WT5 O ATOM 52748 H1 TIP3 1168 26.720 15.315 5.063 1.00 0.00 WT5 H ATOM 52749 H2 TIP3 1168 28.037 15.200 5.802 1.00 0.00 WT5 H ATOM 52750 OH2 TIP3 1173 58.345 15.744 57.773 1.00 0.00 WT5 O ATOM 52751 H1 TIP3 1173 57.869 16.569 57.868 1.00 0.00 WT5 H ATOM 52752 H2 TIP3 1173 59.208 15.921 58.148 1.00 0.00 WT5 H ATOM 52753 OH2 TIP3 1182 85.067 35.465 -0.956 1.00 0.00 WT5 O ATOM 52754 H1 TIP3 1182 85.259 35.318 -0.030 1.00 0.00 WT5 H ATOM 52755 H2 TIP3 1182 85.921 35.635 -1.353 1.00 0.00 WT5 H ATOM 52756 OH2 TIP3 1192 43.406 73.997 29.276 1.00 0.00 WT5 O ATOM 52757 H1 TIP3 1192 43.897 74.055 30.095 1.00 0.00 WT5 H ATOM 52758 H2 TIP3 1192 44.068 74.091 28.591 1.00 0.00 WT5 H ATOM 52759 OH2 TIP3 1194 66.079 40.988 56.663 1.00 0.00 WT5 O ATOM 52760 H1 TIP3 1194 66.489 40.255 56.205 1.00 0.00 WT5 H ATOM 52761 H2 TIP3 1194 65.231 40.648 56.949 1.00 0.00 WT5 H ATOM 52762 OH2 TIP3 1195 86.784 33.619 50.957 1.00 0.00 WT5 O ATOM 52763 H1 TIP3 1195 86.497 34.067 51.753 1.00 0.00 WT5 H ATOM 52764 H2 TIP3 1195 87.652 33.981 50.778 1.00 0.00 WT5 H ATOM 52765 OH2 TIP3 1204 66.859 20.639 -14.138 1.00 0.00 WT5 O ATOM 52766 H1 TIP3 1204 66.291 21.140 -13.553 1.00 0.00 WT5 H ATOM 52767 H2 TIP3 1204 67.726 21.029 -14.022 1.00 0.00 WT5 H ATOM 52768 OH2 TIP3 1207 38.222 63.035 30.134 1.00 0.00 WT5 O ATOM 52769 H1 TIP3 1207 38.966 63.288 30.680 1.00 0.00 WT5 H ATOM 52770 H2 TIP3 1207 38.162 62.085 30.236 1.00 0.00 WT5 H ATOM 52771 OH2 TIP3 1209 67.131 52.843 15.412 1.00 0.00 WT5 O ATOM 52772 H1 TIP3 1209 66.645 53.087 16.200 1.00 0.00 WT5 H ATOM 52773 H2 TIP3 1209 66.462 52.761 14.732 1.00 0.00 WT5 H ATOM 52774 OH2 TIP3 1213 32.741 35.572 66.912 1.00 0.00 WT5 O ATOM 52775 H1 TIP3 1213 32.344 36.391 66.616 1.00 0.00 WT5 H ATOM 52776 H2 TIP3 1213 32.388 35.439 67.792 1.00 0.00 WT5 H ATOM 52777 OH2 TIP3 1216 29.035 50.079 48.396 1.00 0.00 WT5 O ATOM 52778 H1 TIP3 1216 28.986 49.814 49.315 1.00 0.00 WT5 H ATOM 52779 H2 TIP3 1216 29.507 50.911 48.411 1.00 0.00 WT5 H ATOM 52780 OH2 TIP3 1217 86.077 74.426 42.859 1.00 0.00 WT5 O ATOM 52781 H1 TIP3 1217 85.859 73.499 42.760 1.00 0.00 WT5 H ATOM 52782 H2 TIP3 1217 86.783 74.438 43.506 1.00 0.00 WT5 H ATOM 52783 OH2 TIP3 1235 60.010 37.405 35.703 1.00 0.00 WT5 O ATOM 52784 H1 TIP3 1235 60.471 36.868 35.058 1.00 0.00 WT5 H ATOM 52785 H2 TIP3 1235 59.519 36.776 36.231 1.00 0.00 WT5 H ATOM 52786 OH2 TIP3 1240 52.043 61.763 0.670 1.00 0.00 WT5 O ATOM 52787 H1 TIP3 1240 52.888 61.378 0.903 1.00 0.00 WT5 H ATOM 52788 H2 TIP3 1240 51.881 62.415 1.352 1.00 0.00 WT5 H ATOM 52789 OH2 TIP3 1252 77.979 31.083 5.931 1.00 0.00 WT5 O ATOM 52790 H1 TIP3 1252 77.264 30.457 6.048 1.00 0.00 WT5 H ATOM 52791 H2 TIP3 1252 77.980 31.600 6.736 1.00 0.00 WT5 H ATOM 52792 OH2 TIP3 1253 56.300 21.187 -19.209 1.00 0.00 WT5 O ATOM 52793 H1 TIP3 1253 57.076 21.280 -18.656 1.00 0.00 WT5 H ATOM 52794 H2 TIP3 1253 55.692 21.850 -18.882 1.00 0.00 WT5 H ATOM 52795 OH2 TIP3 1258 41.369 46.268 12.525 1.00 0.00 WT5 O ATOM 52796 H1 TIP3 1258 41.859 45.446 12.522 1.00 0.00 WT5 H ATOM 52797 H2 TIP3 1258 41.966 46.901 12.925 1.00 0.00 WT5 H ATOM 52798 OH2 TIP3 1264 33.944 49.632 23.235 1.00 0.00 WT5 O ATOM 52799 H1 TIP3 1264 33.708 50.208 22.509 1.00 0.00 WT5 H ATOM 52800 H2 TIP3 1264 34.416 48.908 22.824 1.00 0.00 WT5 H ATOM 52801 OH2 TIP3 1269 78.289 12.045 2.331 1.00 0.00 WT5 O ATOM 52802 H1 TIP3 1269 78.644 11.424 2.967 1.00 0.00 WT5 H ATOM 52803 H2 TIP3 1269 77.989 12.785 2.859 1.00 0.00 WT5 H ATOM 52804 OH2 TIP3 1277 20.965 29.530 18.613 1.00 0.00 WT5 O ATOM 52805 H1 TIP3 1277 20.911 29.287 19.537 1.00 0.00 WT5 H ATOM 52806 H2 TIP3 1277 20.732 28.731 18.141 1.00 0.00 WT5 H ATOM 52807 OH2 TIP3 1278 39.433 48.708 3.405 1.00 0.00 WT5 O ATOM 52808 H1 TIP3 1278 39.789 49.069 4.217 1.00 0.00 WT5 H ATOM 52809 H2 TIP3 1278 38.952 47.927 3.679 1.00 0.00 WT5 H ATOM 52810 OH2 TIP3 1281 69.107 50.290 62.248 1.00 0.00 WT5 O ATOM 52811 H1 TIP3 1281 68.491 51.015 62.350 1.00 0.00 WT5 H ATOM 52812 H2 TIP3 1281 68.720 49.574 62.752 1.00 0.00 WT5 H ATOM 52813 OH2 TIP3 1285 30.284 59.815 -13.388 1.00 0.00 WT5 O ATOM 52814 H1 TIP3 1285 30.147 60.193 -12.519 1.00 0.00 WT5 H ATOM 52815 H2 TIP3 1285 31.133 59.377 -13.328 1.00 0.00 WT5 H ATOM 52816 OH2 TIP3 1287 29.668 87.452 7.376 1.00 0.00 WT5 O ATOM 52817 H1 TIP3 1287 29.928 88.192 7.925 1.00 0.00 WT5 H ATOM 52818 H2 TIP3 1287 30.354 86.799 7.512 1.00 0.00 WT5 H ATOM 52819 OH2 TIP3 1295 62.695 78.591 64.242 1.00 0.00 WT5 O ATOM 52820 H1 TIP3 1295 62.171 77.959 64.735 1.00 0.00 WT5 H ATOM 52821 H2 TIP3 1295 63.601 78.380 64.468 1.00 0.00 WT5 H ATOM 52822 OH2 TIP3 1298 58.912 12.390 36.509 1.00 0.00 WT5 O ATOM 52823 H1 TIP3 1298 57.971 12.534 36.615 1.00 0.00 WT5 H ATOM 52824 H2 TIP3 1298 59.315 13.194 36.836 1.00 0.00 WT5 H ATOM 52825 OH2 TIP3 1301 64.762 24.897 56.350 1.00 0.00 WT5 O ATOM 52826 H1 TIP3 1301 64.753 24.437 57.189 1.00 0.00 WT5 H ATOM 52827 H2 TIP3 1301 65.666 25.192 56.247 1.00 0.00 WT5 H ATOM 52828 OH2 TIP3 1303 33.513 63.971 27.440 1.00 0.00 WT5 O ATOM 52829 H1 TIP3 1303 34.363 63.905 27.875 1.00 0.00 WT5 H ATOM 52830 H2 TIP3 1303 33.710 64.352 26.584 1.00 0.00 WT5 H ATOM 52831 OH2 TIP3 1312 54.860 1.464 -2.984 1.00 0.00 WT5 O ATOM 52832 H1 TIP3 1312 54.064 1.756 -2.541 1.00 0.00 WT5 H ATOM 52833 H2 TIP3 1312 55.090 2.186 -3.568 1.00 0.00 WT5 H ATOM 52834 OH2 TIP3 1318 58.280 81.891 -12.082 1.00 0.00 WT5 O ATOM 52835 H1 TIP3 1318 58.767 81.524 -11.343 1.00 0.00 WT5 H ATOM 52836 H2 TIP3 1318 57.492 81.352 -12.141 1.00 0.00 WT5 H ATOM 52837 OH2 TIP3 1336 79.985 35.500 -12.956 1.00 0.00 WT5 O ATOM 52838 H1 TIP3 1336 79.964 35.173 -12.057 1.00 0.00 WT5 H ATOM 52839 H2 TIP3 1336 80.823 35.192 -13.303 1.00 0.00 WT5 H ATOM 52840 OH2 TIP3 1345 46.378 52.488 24.789 1.00 0.00 WT5 O ATOM 52841 H1 TIP3 1345 46.601 51.574 24.964 1.00 0.00 WT5 H ATOM 52842 H2 TIP3 1345 47.219 52.914 24.627 1.00 0.00 WT5 H ATOM 52843 OH2 TIP3 1354 78.673 83.765 -18.722 1.00 0.00 WT5 O ATOM 52844 H1 TIP3 1354 79.029 84.647 -18.833 1.00 0.00 WT5 H ATOM 52845 H2 TIP3 1354 79.400 83.256 -18.364 1.00 0.00 WT5 H ATOM 52846 OH2 TIP3 1366 59.858 28.940 51.722 1.00 0.00 WT5 O ATOM 52847 H1 TIP3 1366 59.414 29.224 52.521 1.00 0.00 WT5 H ATOM 52848 H2 TIP3 1366 59.291 29.242 51.012 1.00 0.00 WT5 H ATOM 52849 OH2 TIP3 1370 62.955 4.441 43.407 1.00 0.00 WT5 O ATOM 52850 H1 TIP3 1370 63.254 3.537 43.309 1.00 0.00 WT5 H ATOM 52851 H2 TIP3 1370 63.733 4.971 43.234 1.00 0.00 WT5 H ATOM 52852 OH2 TIP3 1373 80.114 64.012 9.311 1.00 0.00 WT5 O ATOM 52853 H1 TIP3 1373 80.910 63.486 9.244 1.00 0.00 WT5 H ATOM 52854 H2 TIP3 1373 79.432 63.386 9.557 1.00 0.00 WT5 H ATOM 52855 OH2 TIP3 1381 61.386 42.380 0.059 1.00 0.00 WT5 O ATOM 52856 H1 TIP3 1381 60.759 42.615 0.744 1.00 0.00 WT5 H ATOM 52857 H2 TIP3 1381 61.709 41.516 0.315 1.00 0.00 WT5 H ATOM 52858 OH2 TIP3 1382 86.334 61.276 -17.501 1.00 0.00 WT5 O ATOM 52859 H1 TIP3 1382 85.787 61.973 -17.863 1.00 0.00 WT5 H ATOM 52860 H2 TIP3 1382 87.226 61.514 -17.756 1.00 0.00 WT5 H ATOM 52861 OH2 TIP3 1383 89.688 82.796 61.095 1.00 0.00 WT5 O ATOM 52862 H1 TIP3 1383 89.897 81.887 60.882 1.00 0.00 WT5 H ATOM 52863 H2 TIP3 1383 90.270 83.313 60.537 1.00 0.00 WT5 H ATOM 52864 OH2 TIP3 1387 31.228 13.953 61.477 1.00 0.00 WT5 O ATOM 52865 H1 TIP3 1387 30.302 13.958 61.721 1.00 0.00 WT5 H ATOM 52866 H2 TIP3 1387 31.695 13.875 62.308 1.00 0.00 WT5 H ATOM 52867 OH2 TIP3 1395 84.262 38.013 35.099 1.00 0.00 WT5 O ATOM 52868 H1 TIP3 1395 84.935 37.461 35.498 1.00 0.00 WT5 H ATOM 52869 H2 TIP3 1395 84.352 38.858 35.541 1.00 0.00 WT5 H ATOM 52870 OH2 TIP3 1399 34.728 10.980 15.163 1.00 0.00 WT5 O ATOM 52871 H1 TIP3 1399 33.989 11.428 14.752 1.00 0.00 WT5 H ATOM 52872 H2 TIP3 1399 35.086 11.621 15.777 1.00 0.00 WT5 H ATOM 52873 OH2 TIP3 1401 72.487 21.984 -1.980 1.00 0.00 WT5 O ATOM 52874 H1 TIP3 1401 72.800 21.080 -1.971 1.00 0.00 WT5 H ATOM 52875 H2 TIP3 1401 72.562 22.273 -1.071 1.00 0.00 WT5 H ATOM 52876 OH2 TIP3 1408 53.844 55.197 -10.033 1.00 0.00 WT5 O ATOM 52877 H1 TIP3 1408 54.052 56.028 -9.605 1.00 0.00 WT5 H ATOM 52878 H2 TIP3 1408 53.400 55.449 -10.843 1.00 0.00 WT5 H ATOM 52879 OH2 TIP3 1409 37.409 87.316 18.735 1.00 0.00 WT5 O ATOM 52880 H1 TIP3 1409 37.191 86.589 18.151 1.00 0.00 WT5 H ATOM 52881 H2 TIP3 1409 37.950 86.920 19.419 1.00 0.00 WT5 H ATOM 52882 OH2 TIP3 1414 59.940 75.633 38.160 1.00 0.00 WT5 O ATOM 52883 H1 TIP3 1414 60.036 75.523 39.106 1.00 0.00 WT5 H ATOM 52884 H2 TIP3 1414 59.090 76.062 38.054 1.00 0.00 WT5 H ATOM 52885 OH2 TIP3 1429 32.134 66.563 26.342 1.00 0.00 WT5 O ATOM 52886 H1 TIP3 1429 32.237 65.630 26.527 1.00 0.00 WT5 H ATOM 52887 H2 TIP3 1429 32.145 66.982 27.203 1.00 0.00 WT5 H ATOM 52888 OH2 TIP3 1433 25.925 92.995 -19.200 1.00 0.00 WT5 O ATOM 52889 H1 TIP3 1433 26.357 92.173 -19.434 1.00 0.00 WT5 H ATOM 52890 H2 TIP3 1433 26.643 93.614 -19.070 1.00 0.00 WT5 H ATOM 52891 OH2 TIP3 1436 87.418 88.307 57.889 1.00 0.00 WT5 O ATOM 52892 H1 TIP3 1436 88.231 88.358 57.386 1.00 0.00 WT5 H ATOM 52893 H2 TIP3 1436 87.233 89.212 58.140 1.00 0.00 WT5 H ATOM 52894 OH2 TIP3 1440 89.946 87.905 -11.716 1.00 0.00 WT5 O ATOM 52895 H1 TIP3 1440 90.020 86.968 -11.895 1.00 0.00 WT5 H ATOM 52896 H2 TIP3 1440 89.504 87.954 -10.868 1.00 0.00 WT5 H ATOM 52897 OH2 TIP3 1445 68.659 33.573 15.793 1.00 0.00 WT5 O ATOM 52898 H1 TIP3 1445 67.904 33.076 16.107 1.00 0.00 WT5 H ATOM 52899 H2 TIP3 1445 69.417 33.053 16.061 1.00 0.00 WT5 H ATOM 52900 OH2 TIP3 1447 76.652 42.205 36.153 1.00 0.00 WT5 O ATOM 52901 H1 TIP3 1447 75.987 42.564 36.740 1.00 0.00 WT5 H ATOM 52902 H2 TIP3 1447 77.057 42.973 35.750 1.00 0.00 WT5 H ATOM 52903 OH2 TIP3 1451 77.371 74.194 -4.935 1.00 0.00 WT5 O ATOM 52904 H1 TIP3 1451 78.287 74.195 -4.660 1.00 0.00 WT5 H ATOM 52905 H2 TIP3 1451 76.927 73.643 -4.291 1.00 0.00 WT5 H ATOM 52906 OH2 TIP3 1459 70.391 75.395 51.294 1.00 0.00 WT5 O ATOM 52907 H1 TIP3 1459 69.840 75.494 50.518 1.00 0.00 WT5 H ATOM 52908 H2 TIP3 1459 70.726 74.500 51.239 1.00 0.00 WT5 H ATOM 52909 OH2 TIP3 1466 21.104 70.858 47.983 1.00 0.00 WT5 O ATOM 52910 H1 TIP3 1466 20.403 71.244 48.508 1.00 0.00 WT5 H ATOM 52911 H2 TIP3 1466 21.240 71.480 47.269 1.00 0.00 WT5 H ATOM 52912 OH2 TIP3 1473 67.245 93.649 27.901 1.00 0.00 WT5 O ATOM 52913 H1 TIP3 1473 67.545 93.482 27.008 1.00 0.00 WT5 H ATOM 52914 H2 TIP3 1473 67.296 92.798 28.335 1.00 0.00 WT5 H ATOM 52915 OH2 TIP3 1476 86.983 60.332 -11.968 1.00 0.00 WT5 O ATOM 52916 H1 TIP3 1476 87.903 60.540 -11.803 1.00 0.00 WT5 H ATOM 52917 H2 TIP3 1476 86.847 60.560 -12.888 1.00 0.00 WT5 H ATOM 52918 OH2 TIP3 1477 25.277 64.117 9.589 1.00 0.00 WT5 O ATOM 52919 H1 TIP3 1477 25.518 64.208 8.667 1.00 0.00 WT5 H ATOM 52920 H2 TIP3 1477 25.685 64.869 10.019 1.00 0.00 WT5 H ATOM 52921 OH2 TIP3 1480 72.860 88.995 -19.612 1.00 0.00 WT5 O ATOM 52922 H1 TIP3 1480 72.252 89.734 -19.569 1.00 0.00 WT5 H ATOM 52923 H2 TIP3 1480 73.724 89.399 -19.683 1.00 0.00 WT5 H ATOM 52924 OH2 TIP3 1483 31.421 35.530 13.621 1.00 0.00 WT5 O ATOM 52925 H1 TIP3 1483 31.382 36.400 13.225 1.00 0.00 WT5 H ATOM 52926 H2 TIP3 1483 32.061 35.615 14.327 1.00 0.00 WT5 H ATOM 52927 OH2 TIP3 1486 35.016 3.609 35.392 1.00 0.00 WT5 O ATOM 52928 H1 TIP3 1486 35.410 2.870 35.855 1.00 0.00 WT5 H ATOM 52929 H2 TIP3 1486 35.684 3.881 34.763 1.00 0.00 WT5 H ATOM 52930 OH2 TIP3 1492 43.982 48.014 46.258 1.00 0.00 WT5 O ATOM 52931 H1 TIP3 1492 44.018 47.946 45.304 1.00 0.00 WT5 H ATOM 52932 H2 TIP3 1492 44.629 48.684 46.476 1.00 0.00 WT5 H ATOM 52933 OH2 TIP3 1508 90.093 36.745 8.629 1.00 0.00 WT5 O ATOM 52934 H1 TIP3 1508 90.887 37.266 8.749 1.00 0.00 WT5 H ATOM 52935 H2 TIP3 1508 89.815 36.523 9.518 1.00 0.00 WT5 H ATOM 52936 OH2 TIP3 1509 34.577 31.685 57.534 1.00 0.00 WT5 O ATOM 52937 H1 TIP3 1509 34.493 32.472 56.996 1.00 0.00 WT5 H ATOM 52938 H2 TIP3 1509 33.693 31.320 57.566 1.00 0.00 WT5 H ATOM 52939 OH2 TIP3 1518 29.116 84.775 23.419 1.00 0.00 WT5 O ATOM 52940 H1 TIP3 1518 28.325 85.310 23.355 1.00 0.00 WT5 H ATOM 52941 H2 TIP3 1518 29.784 85.278 22.952 1.00 0.00 WT5 H ATOM 52942 OH2 TIP3 1524 57.999 18.045 37.391 1.00 0.00 WT5 O ATOM 52943 H1 TIP3 1524 57.465 18.787 37.674 1.00 0.00 WT5 H ATOM 52944 H2 TIP3 1524 58.841 18.433 37.153 1.00 0.00 WT5 H ATOM 52945 OH2 TIP3 1527 29.410 56.631 -3.099 1.00 0.00 WT5 O ATOM 52946 H1 TIP3 1527 30.024 56.026 -2.682 1.00 0.00 WT5 H ATOM 52947 H2 TIP3 1527 29.019 56.124 -3.810 1.00 0.00 WT5 H ATOM 52948 OH2 TIP3 1546 74.255 58.021 55.952 1.00 0.00 WT5 O ATOM 52949 H1 TIP3 1546 74.901 58.494 55.426 1.00 0.00 WT5 H ATOM 52950 H2 TIP3 1546 73.410 58.362 55.658 1.00 0.00 WT5 H ATOM 52951 OH2 TIP3 1557 26.080 95.518 7.881 1.00 0.00 WT5 O ATOM 52952 H1 TIP3 1557 25.601 95.951 7.175 1.00 0.00 WT5 H ATOM 52953 H2 TIP3 1557 25.431 94.952 8.300 1.00 0.00 WT5 H ATOM 52954 OH2 TIP3 1573 58.567 69.443 -13.488 1.00 0.00 WT5 O ATOM 52955 H1 TIP3 1573 59.038 68.849 -12.903 1.00 0.00 WT5 H ATOM 52956 H2 TIP3 1573 58.213 68.874 -14.172 1.00 0.00 WT5 H ATOM 52957 OH2 TIP3 1574 85.097 89.648 24.445 1.00 0.00 WT5 O ATOM 52958 H1 TIP3 1574 84.915 90.457 23.967 1.00 0.00 WT5 H ATOM 52959 H2 TIP3 1574 84.447 89.634 25.148 1.00 0.00 WT5 H ATOM 52960 OH2 TIP3 1589 42.682 10.223 43.129 1.00 0.00 WT5 O ATOM 52961 H1 TIP3 1589 42.953 10.305 44.043 1.00 0.00 WT5 H ATOM 52962 H2 TIP3 1589 43.489 10.018 42.657 1.00 0.00 WT5 H ATOM 52963 OH2 TIP3 1592 74.055 43.607 4.690 1.00 0.00 WT5 O ATOM 52964 H1 TIP3 1592 73.287 43.214 5.104 1.00 0.00 WT5 H ATOM 52965 H2 TIP3 1592 73.731 43.949 3.857 1.00 0.00 WT5 H ATOM 52966 OH2 TIP3 1599 66.196 25.907 -5.194 1.00 0.00 WT5 O ATOM 52967 H1 TIP3 1599 66.088 25.448 -4.361 1.00 0.00 WT5 H ATOM 52968 H2 TIP3 1599 67.038 26.356 -5.113 1.00 0.00 WT5 H ATOM 52969 OH2 TIP3 1600 89.222 65.920 24.329 1.00 0.00 WT5 O ATOM 52970 H1 TIP3 1600 88.752 66.173 23.534 1.00 0.00 WT5 H ATOM 52971 H2 TIP3 1600 88.978 65.006 24.472 1.00 0.00 WT5 H ATOM 52972 OH2 TIP3 1612 65.097 44.094 38.954 1.00 0.00 WT5 O ATOM 52973 H1 TIP3 1612 65.623 44.445 38.235 1.00 0.00 WT5 H ATOM 52974 H2 TIP3 1612 64.626 43.356 38.568 1.00 0.00 WT5 H ATOM 52975 OH2 TIP3 1613 71.011 52.421 -17.471 1.00 0.00 WT5 O ATOM 52976 H1 TIP3 1613 70.970 53.248 -17.951 1.00 0.00 WT5 H ATOM 52977 H2 TIP3 1613 70.578 52.606 -16.638 1.00 0.00 WT5 H ATOM 52978 OH2 TIP3 1615 76.688 69.020 25.838 1.00 0.00 WT5 O ATOM 52979 H1 TIP3 1615 77.580 68.695 25.715 1.00 0.00 WT5 H ATOM 52980 H2 TIP3 1615 76.470 69.443 25.007 1.00 0.00 WT5 H ATOM 52981 OH2 TIP3 1618 82.135 37.096 60.861 1.00 0.00 WT5 O ATOM 52982 H1 TIP3 1618 81.920 37.671 61.595 1.00 0.00 WT5 H ATOM 52983 H2 TIP3 1618 83.072 37.229 60.717 1.00 0.00 WT5 H ATOM 52984 OH2 TIP3 1624 82.116 36.131 54.577 1.00 0.00 WT5 O ATOM 52985 H1 TIP3 1624 82.774 36.040 53.887 1.00 0.00 WT5 H ATOM 52986 H2 TIP3 1624 82.621 36.141 55.390 1.00 0.00 WT5 H ATOM 52987 OH2 TIP3 1625 88.889 70.691 62.004 1.00 0.00 WT5 O ATOM 52988 H1 TIP3 1625 88.954 70.505 61.068 1.00 0.00 WT5 H ATOM 52989 H2 TIP3 1625 88.580 69.872 62.391 1.00 0.00 WT5 H ATOM 52990 OH2 TIP3 1627 25.741 64.602 44.130 1.00 0.00 WT5 O ATOM 52991 H1 TIP3 1627 24.960 65.117 44.330 1.00 0.00 WT5 H ATOM 52992 H2 TIP3 1627 25.827 64.656 43.178 1.00 0.00 WT5 H ATOM 52993 OH2 TIP3 1629 55.242 1.635 63.049 1.00 0.00 WT5 O ATOM 52994 H1 TIP3 1629 55.296 1.647 64.004 1.00 0.00 WT5 H ATOM 52995 H2 TIP3 1629 56.039 1.186 62.768 1.00 0.00 WT5 H ATOM 52996 OH2 TIP3 1631 37.438 83.895 25.931 1.00 0.00 WT5 O ATOM 52997 H1 TIP3 1631 37.772 83.364 26.653 1.00 0.00 WT5 H ATOM 52998 H2 TIP3 1631 38.188 83.999 25.344 1.00 0.00 WT5 H ATOM 52999 OH2 TIP3 1636 33.465 33.204 28.643 1.00 0.00 WT5 O ATOM 53000 H1 TIP3 1636 34.190 33.252 29.265 1.00 0.00 WT5 H ATOM 53001 H2 TIP3 1636 33.027 34.052 28.719 1.00 0.00 WT5 H ATOM 53002 OH2 TIP3 1642 69.702 49.089 14.393 1.00 0.00 WT5 O ATOM 53003 H1 TIP3 1642 69.355 49.720 13.762 1.00 0.00 WT5 H ATOM 53004 H2 TIP3 1642 69.264 48.266 14.175 1.00 0.00 WT5 H ATOM 53005 OH2 TIP3 1648 50.003 43.638 -1.982 1.00 0.00 WT5 O ATOM 53006 H1 TIP3 1648 49.967 44.514 -2.366 1.00 0.00 WT5 H ATOM 53007 H2 TIP3 1648 50.691 43.695 -1.319 1.00 0.00 WT5 H ATOM 53008 OH2 TIP3 1651 78.099 66.763 -18.429 1.00 0.00 WT5 O ATOM 53009 H1 TIP3 1651 77.649 66.298 -17.724 1.00 0.00 WT5 H ATOM 53010 H2 TIP3 1651 77.879 66.272 -19.220 1.00 0.00 WT5 H ATOM 53011 OH2 TIP3 1656 86.127 47.204 37.656 1.00 0.00 WT5 O ATOM 53012 H1 TIP3 1656 85.568 47.956 37.851 1.00 0.00 WT5 H ATOM 53013 H2 TIP3 1656 85.515 46.500 37.440 1.00 0.00 WT5 H ATOM 53014 OH2 TIP3 1664 46.966 88.568 -5.903 1.00 0.00 WT5 O ATOM 53015 H1 TIP3 1664 46.352 88.134 -6.495 1.00 0.00 WT5 H ATOM 53016 H2 TIP3 1664 47.700 88.822 -6.463 1.00 0.00 WT5 H ATOM 53017 OH2 TIP3 1678 63.616 48.795 28.390 1.00 0.00 WT5 O ATOM 53018 H1 TIP3 1678 62.663 48.856 28.458 1.00 0.00 WT5 H ATOM 53019 H2 TIP3 1678 63.879 49.605 27.953 1.00 0.00 WT5 H ATOM 53020 OH2 TIP3 1691 38.470 47.745 44.689 1.00 0.00 WT5 O ATOM 53021 H1 TIP3 1691 38.923 48.129 43.938 1.00 0.00 WT5 H ATOM 53022 H2 TIP3 1691 38.820 48.214 45.446 1.00 0.00 WT5 H ATOM 53023 OH2 TIP3 1697 42.715 41.329 23.568 1.00 0.00 WT5 O ATOM 53024 H1 TIP3 1697 43.424 41.922 23.816 1.00 0.00 WT5 H ATOM 53025 H2 TIP3 1697 43.085 40.794 22.865 1.00 0.00 WT5 H ATOM 53026 OH2 TIP3 1698 73.161 70.666 0.780 1.00 0.00 WT5 O ATOM 53027 H1 TIP3 1698 72.799 71.440 0.348 1.00 0.00 WT5 H ATOM 53028 H2 TIP3 1698 72.557 70.491 1.502 1.00 0.00 WT5 H ATOM 53029 OH2 TIP3 1706 30.331 5.680 9.104 1.00 0.00 WT5 O ATOM 53030 H1 TIP3 1706 31.236 5.932 8.923 1.00 0.00 WT5 H ATOM 53031 H2 TIP3 1706 30.403 4.902 9.656 1.00 0.00 WT5 H ATOM 53032 OH2 TIP3 1725 51.205 86.158 5.174 1.00 0.00 WT5 O ATOM 53033 H1 TIP3 1725 50.492 86.795 5.224 1.00 0.00 WT5 H ATOM 53034 H2 TIP3 1725 51.223 85.750 6.040 1.00 0.00 WT5 H ATOM 53035 OH2 TIP3 1737 80.478 80.795 62.431 1.00 0.00 WT5 O ATOM 53036 H1 TIP3 1737 80.508 80.673 63.380 1.00 0.00 WT5 H ATOM 53037 H2 TIP3 1737 81.154 80.209 62.092 1.00 0.00 WT5 H ATOM 53038 OH2 TIP3 1751 25.376 59.373 54.064 1.00 0.00 WT5 O ATOM 53039 H1 TIP3 1751 26.023 60.048 54.271 1.00 0.00 WT5 H ATOM 53040 H2 TIP3 1751 25.767 58.877 53.345 1.00 0.00 WT5 H ATOM 53041 OH2 TIP3 1754 67.986 51.819 -3.837 1.00 0.00 WT5 O ATOM 53042 H1 TIP3 1754 68.001 52.742 -3.582 1.00 0.00 WT5 H ATOM 53043 H2 TIP3 1754 67.059 51.622 -3.969 1.00 0.00 WT5 H ATOM 53044 OH2 TIP3 1758 32.373 45.463 50.665 1.00 0.00 WT5 O ATOM 53045 H1 TIP3 1758 32.580 46.397 50.698 1.00 0.00 WT5 H ATOM 53046 H2 TIP3 1758 33.052 45.047 51.195 1.00 0.00 WT5 H ATOM 53047 OH2 TIP3 1763 87.091 84.829 -17.150 1.00 0.00 WT5 O ATOM 53048 H1 TIP3 1763 87.990 85.106 -16.975 1.00 0.00 WT5 H ATOM 53049 H2 TIP3 1763 87.115 83.875 -17.075 1.00 0.00 WT5 H ATOM 53050 OH2 TIP3 1769 39.334 13.742 -14.346 1.00 0.00 WT5 O ATOM 53051 H1 TIP3 1769 40.221 13.403 -14.468 1.00 0.00 WT5 H ATOM 53052 H2 TIP3 1769 39.430 14.434 -13.691 1.00 0.00 WT5 H ATOM 53053 OH2 TIP3 1771 82.439 65.097 50.372 1.00 0.00 WT5 O ATOM 53054 H1 TIP3 1771 83.120 65.741 50.566 1.00 0.00 WT5 H ATOM 53055 H2 TIP3 1771 82.918 64.284 50.208 1.00 0.00 WT5 H ATOM 53056 OH2 TIP3 1775 21.858 8.796 48.459 1.00 0.00 WT5 O ATOM 53057 H1 TIP3 1775 21.270 9.161 47.798 1.00 0.00 WT5 H ATOM 53058 H2 TIP3 1775 22.612 9.386 48.462 1.00 0.00 WT5 H ATOM 53059 OH2 TIP3 1777 70.594 47.184 6.492 1.00 0.00 WT5 O ATOM 53060 H1 TIP3 1777 70.636 48.061 6.872 1.00 0.00 WT5 H ATOM 53061 H2 TIP3 1777 69.658 47.020 6.370 1.00 0.00 WT5 H ATOM 53062 OH2 TIP3 1778 71.025 29.845 3.866 1.00 0.00 WT5 O ATOM 53063 H1 TIP3 1778 71.625 30.397 3.365 1.00 0.00 WT5 H ATOM 53064 H2 TIP3 1778 71.590 29.197 4.287 1.00 0.00 WT5 H ATOM 53065 OH2 TIP3 1779 29.845 3.090 20.012 1.00 0.00 WT5 O ATOM 53066 H1 TIP3 1779 29.807 2.295 19.480 1.00 0.00 WT5 H ATOM 53067 H2 TIP3 1779 30.501 3.637 19.580 1.00 0.00 WT5 H ATOM 53068 OH2 TIP3 1783 35.621 93.332 19.869 1.00 0.00 WT5 O ATOM 53069 H1 TIP3 1783 34.870 92.886 19.478 1.00 0.00 WT5 H ATOM 53070 H2 TIP3 1783 35.570 94.227 19.533 1.00 0.00 WT5 H ATOM 53071 OH2 TIP3 1803 43.284 40.860 13.781 1.00 0.00 WT5 O ATOM 53072 H1 TIP3 1803 43.654 40.261 14.429 1.00 0.00 WT5 H ATOM 53073 H2 TIP3 1803 42.985 41.612 14.293 1.00 0.00 WT5 H ATOM 53074 OH2 TIP3 1812 36.115 76.400 65.600 1.00 0.00 WT5 O ATOM 53075 H1 TIP3 1812 37.005 76.100 65.785 1.00 0.00 WT5 H ATOM 53076 H2 TIP3 1812 35.552 75.793 66.079 1.00 0.00 WT5 H ATOM 53077 OH2 TIP3 1849 59.418 1.098 44.556 1.00 0.00 WT5 O ATOM 53078 H1 TIP3 1849 59.733 0.310 44.113 1.00 0.00 WT5 H ATOM 53079 H2 TIP3 1849 60.174 1.685 44.569 1.00 0.00 WT5 H ATOM 53080 OH2 TIP3 1853 62.008 32.898 -12.329 1.00 0.00 WT5 O ATOM 53081 H1 TIP3 1853 61.098 32.606 -12.384 1.00 0.00 WT5 H ATOM 53082 H2 TIP3 1853 62.412 32.308 -11.692 1.00 0.00 WT5 H ATOM 53083 OH2 TIP3 1858 75.364 87.299 -10.787 1.00 0.00 WT5 O ATOM 53084 H1 TIP3 1858 74.624 86.738 -11.020 1.00 0.00 WT5 H ATOM 53085 H2 TIP3 1858 76.105 86.929 -11.267 1.00 0.00 WT5 H ATOM 53086 OH2 TIP3 1859 21.001 29.785 29.483 1.00 0.00 WT5 O ATOM 53087 H1 TIP3 1859 20.164 29.375 29.265 1.00 0.00 WT5 H ATOM 53088 H2 TIP3 1859 21.084 30.507 28.859 1.00 0.00 WT5 H ATOM 53089 OH2 TIP3 1864 36.217 36.281 34.030 1.00 0.00 WT5 O ATOM 53090 H1 TIP3 1864 36.353 36.161 33.090 1.00 0.00 WT5 H ATOM 53091 H2 TIP3 1864 36.135 37.228 34.142 1.00 0.00 WT5 H ATOM 53092 OH2 TIP3 1879 43.287 36.817 20.599 1.00 0.00 WT5 O ATOM 53093 H1 TIP3 1879 43.187 36.484 21.491 1.00 0.00 WT5 H ATOM 53094 H2 TIP3 1879 44.167 36.545 20.338 1.00 0.00 WT5 H ATOM 53095 OH2 TIP3 1880 32.235 14.216 38.630 1.00 0.00 WT5 O ATOM 53096 H1 TIP3 1880 32.664 15.033 38.888 1.00 0.00 WT5 H ATOM 53097 H2 TIP3 1880 32.359 14.169 37.682 1.00 0.00 WT5 H ATOM 53098 OH2 TIP3 1882 89.506 7.450 64.269 1.00 0.00 WT5 O ATOM 53099 H1 TIP3 1882 90.163 7.328 63.584 1.00 0.00 WT5 H ATOM 53100 H2 TIP3 1882 89.747 8.276 64.688 1.00 0.00 WT5 H ATOM 53101 OH2 TIP3 1892 71.621 53.660 52.299 1.00 0.00 WT5 O ATOM 53102 H1 TIP3 1892 71.991 53.142 53.014 1.00 0.00 WT5 H ATOM 53103 H2 TIP3 1892 71.066 53.045 51.819 1.00 0.00 WT5 H ATOM 53104 OH2 TIP3 1897 43.971 7.293 3.134 1.00 0.00 WT5 O ATOM 53105 H1 TIP3 1897 43.788 6.371 3.313 1.00 0.00 WT5 H ATOM 53106 H2 TIP3 1897 44.478 7.283 2.321 1.00 0.00 WT5 H ATOM 53107 OH2 TIP3 1898 36.083 22.214 34.496 1.00 0.00 WT5 O ATOM 53108 H1 TIP3 1898 36.336 22.674 33.696 1.00 0.00 WT5 H ATOM 53109 H2 TIP3 1898 35.882 22.911 35.121 1.00 0.00 WT5 H ATOM 53110 OH2 TIP3 1925 66.930 1.520 -7.581 1.00 0.00 WT5 O ATOM 53111 H1 TIP3 1925 67.869 1.337 -7.532 1.00 0.00 WT5 H ATOM 53112 H2 TIP3 1925 66.863 2.269 -8.173 1.00 0.00 WT5 H ATOM 53113 OH2 TIP3 1939 76.454 45.580 56.387 1.00 0.00 WT5 O ATOM 53114 H1 TIP3 1939 77.184 45.915 55.867 1.00 0.00 WT5 H ATOM 53115 H2 TIP3 1939 75.707 46.120 56.129 1.00 0.00 WT5 H ATOM 53116 OH2 TIP3 1949 23.618 21.453 56.643 1.00 0.00 WT5 O ATOM 53117 H1 TIP3 1949 24.230 21.672 55.940 1.00 0.00 WT5 H ATOM 53118 H2 TIP3 1949 24.107 20.856 57.209 1.00 0.00 WT5 H ATOM 53119 OH2 TIP3 1960 72.581 14.228 44.581 1.00 0.00 WT5 O ATOM 53120 H1 TIP3 1960 71.818 14.741 44.850 1.00 0.00 WT5 H ATOM 53121 H2 TIP3 1960 72.298 13.777 43.786 1.00 0.00 WT5 H ATOM 53122 OH2 TIP3 1965 48.538 22.876 19.331 1.00 0.00 WT5 O ATOM 53123 H1 TIP3 1965 49.086 23.408 19.909 1.00 0.00 WT5 H ATOM 53124 H2 TIP3 1965 47.752 23.404 19.193 1.00 0.00 WT5 H ATOM 53125 OH2 TIP3 1978 76.754 39.597 -13.542 1.00 0.00 WT5 O ATOM 53126 H1 TIP3 1978 76.976 38.744 -13.914 1.00 0.00 WT5 H ATOM 53127 H2 TIP3 1978 77.379 40.203 -13.941 1.00 0.00 WT5 H ATOM 53128 OH2 TIP3 1990 87.756 43.439 35.594 1.00 0.00 WT5 O ATOM 53129 H1 TIP3 1990 88.305 44.015 36.127 1.00 0.00 WT5 H ATOM 53130 H2 TIP3 1990 87.209 44.035 35.082 1.00 0.00 WT5 H ATOM 53131 OH2 TIP3 1994 34.315 54.383 38.646 1.00 0.00 WT5 O ATOM 53132 H1 TIP3 1994 33.959 53.977 37.856 1.00 0.00 WT5 H ATOM 53133 H2 TIP3 1994 34.824 55.128 38.325 1.00 0.00 WT5 H ATOM 53134 OH2 TIP3 2000 42.007 94.556 44.026 1.00 0.00 WT5 O ATOM 53135 H1 TIP3 2000 41.935 94.541 43.071 1.00 0.00 WT5 H ATOM 53136 H2 TIP3 2000 42.721 93.950 44.223 1.00 0.00 WT5 H ATOM 53137 OH2 TIP3 2017 73.898 65.722 -12.202 1.00 0.00 WT5 O ATOM 53138 H1 TIP3 2017 73.008 65.474 -11.952 1.00 0.00 WT5 H ATOM 53139 H2 TIP3 2017 74.431 65.510 -11.436 1.00 0.00 WT5 H ATOM 53140 OH2 TIP3 2022 88.618 81.917 44.822 1.00 0.00 WT5 O ATOM 53141 H1 TIP3 2022 87.848 82.077 44.275 1.00 0.00 WT5 H ATOM 53142 H2 TIP3 2022 88.888 82.788 45.114 1.00 0.00 WT5 H ATOM 53143 OH2 TIP3 2025 58.349 96.720 22.739 1.00 0.00 WT5 O ATOM 53144 H1 TIP3 2025 57.777 96.002 23.012 1.00 0.00 WT5 H ATOM 53145 H2 TIP3 2025 58.744 96.414 21.922 1.00 0.00 WT5 H ATOM 53146 OH2 TIP3 2053 38.893 16.788 16.297 1.00 0.00 WT5 O ATOM 53147 H1 TIP3 2053 39.190 17.018 17.177 1.00 0.00 WT5 H ATOM 53148 H2 TIP3 2053 39.696 16.734 15.778 1.00 0.00 WT5 H ATOM 53149 OH2 TIP3 2056 67.830 91.457 41.586 1.00 0.00 WT5 O ATOM 53150 H1 TIP3 2056 68.657 91.049 41.839 1.00 0.00 WT5 H ATOM 53151 H2 TIP3 2056 67.203 91.157 42.244 1.00 0.00 WT5 H ATOM 53152 OH2 TIP3 2058 82.247 65.018 5.552 1.00 0.00 WT5 O ATOM 53153 H1 TIP3 2058 81.984 65.459 6.360 1.00 0.00 WT5 H ATOM 53154 H2 TIP3 2058 81.481 65.087 4.981 1.00 0.00 WT5 H ATOM 53155 OH2 TIP3 2080 22.374 18.901 37.609 1.00 0.00 WT5 O ATOM 53156 H1 TIP3 2080 22.733 19.356 38.372 1.00 0.00 WT5 H ATOM 53157 H2 TIP3 2080 21.891 19.577 37.133 1.00 0.00 WT5 H ATOM 53158 OH2 TIP3 2083 20.920 89.354 20.172 1.00 0.00 WT5 O ATOM 53159 H1 TIP3 2083 21.182 90.225 19.877 1.00 0.00 WT5 H ATOM 53160 H2 TIP3 2083 20.103 89.498 20.650 1.00 0.00 WT5 H ATOM 53161 OH2 TIP3 2085 46.269 21.887 51.443 1.00 0.00 WT5 O ATOM 53162 H1 TIP3 2085 47.114 21.530 51.718 1.00 0.00 WT5 H ATOM 53163 H2 TIP3 2085 46.469 22.404 50.663 1.00 0.00 WT5 H ATOM 53164 OH2 TIP3 2108 52.931 43.938 45.269 1.00 0.00 WT5 O ATOM 53165 H1 TIP3 2108 52.236 44.160 44.649 1.00 0.00 WT5 H ATOM 53166 H2 TIP3 2108 53.742 44.078 44.781 1.00 0.00 WT5 H ATOM 53167 OH2 TIP3 2127 60.171 95.992 -1.424 1.00 0.00 WT5 O ATOM 53168 H1 TIP3 2127 59.763 95.938 -0.560 1.00 0.00 WT5 H ATOM 53169 H2 TIP3 2127 60.812 96.698 -1.343 1.00 0.00 WT5 H ATOM 53170 OH2 TIP3 2132 60.493 33.422 41.208 1.00 0.00 WT5 O ATOM 53171 H1 TIP3 2132 60.173 34.260 41.542 1.00 0.00 WT5 H ATOM 53172 H2 TIP3 2132 61.100 33.659 40.506 1.00 0.00 WT5 H ATOM 53173 OH2 TIP3 2150 46.606 38.777 19.690 1.00 0.00 WT5 O ATOM 53174 H1 TIP3 2150 47.395 38.446 19.260 1.00 0.00 WT5 H ATOM 53175 H2 TIP3 2150 46.930 39.248 20.457 1.00 0.00 WT5 H ATOM 53176 OH2 TIP3 2156 45.206 64.903 51.096 1.00 0.00 WT5 O ATOM 53177 H1 TIP3 2156 45.690 65.176 50.317 1.00 0.00 WT5 H ATOM 53178 H2 TIP3 2156 44.291 65.098 50.891 1.00 0.00 WT5 H ATOM 53179 OH2 TIP3 2160 60.474 77.333 34.172 1.00 0.00 WT5 O ATOM 53180 H1 TIP3 2160 60.838 76.891 34.940 1.00 0.00 WT5 H ATOM 53181 H2 TIP3 2160 60.179 76.621 33.603 1.00 0.00 WT5 H ATOM 53182 OH2 TIP3 2171 53.526 85.702 9.937 1.00 0.00 WT5 O ATOM 53183 H1 TIP3 2171 53.767 85.583 9.019 1.00 0.00 WT5 H ATOM 53184 H2 TIP3 2171 53.286 84.825 10.238 1.00 0.00 WT5 H ATOM 53185 OH2 TIP3 2173 46.829 44.572 32.559 1.00 0.00 WT5 O ATOM 53186 H1 TIP3 2173 46.990 44.352 31.641 1.00 0.00 WT5 H ATOM 53187 H2 TIP3 2173 47.532 45.182 32.786 1.00 0.00 WT5 H ATOM 53188 OH2 TIP3 2179 71.237 51.028 41.550 1.00 0.00 WT5 O ATOM 53189 H1 TIP3 2179 70.441 50.532 41.356 1.00 0.00 WT5 H ATOM 53190 H2 TIP3 2179 70.956 51.943 41.545 1.00 0.00 WT5 H ATOM 53191 OH2 TIP3 2183 70.445 79.903 49.165 1.00 0.00 WT5 O ATOM 53192 H1 TIP3 2183 69.511 79.904 49.376 1.00 0.00 WT5 H ATOM 53193 H2 TIP3 2183 70.523 79.301 48.425 1.00 0.00 WT5 H ATOM 53194 OH2 TIP3 2190 60.167 54.462 -0.097 1.00 0.00 WT5 O ATOM 53195 H1 TIP3 2190 59.420 54.944 -0.453 1.00 0.00 WT5 H ATOM 53196 H2 TIP3 2190 60.211 54.730 0.821 1.00 0.00 WT5 H ATOM 53197 OH2 TIP3 2231 28.760 72.763 0.864 1.00 0.00 WT5 O ATOM 53198 H1 TIP3 2231 28.924 73.363 1.591 1.00 0.00 WT5 H ATOM 53199 H2 TIP3 2231 29.501 72.896 0.272 1.00 0.00 WT5 H ATOM 53200 OH2 TIP3 2236 27.757 22.482 27.326 1.00 0.00 WT5 O ATOM 53201 H1 TIP3 2236 27.335 22.193 28.135 1.00 0.00 WT5 H ATOM 53202 H2 TIP3 2236 27.979 21.672 26.868 1.00 0.00 WT5 H ATOM 53203 OH2 TIP3 2268 84.050 50.349 -17.748 1.00 0.00 WT5 O ATOM 53204 H1 TIP3 2268 83.277 50.697 -18.191 1.00 0.00 WT5 H ATOM 53205 H2 TIP3 2268 83.885 50.503 -16.818 1.00 0.00 WT5 H ATOM 53206 OH2 TIP3 2270 85.229 94.396 66.085 1.00 0.00 WT5 O ATOM 53207 H1 TIP3 2270 84.983 95.321 66.081 1.00 0.00 WT5 H ATOM 53208 H2 TIP3 2270 84.402 93.928 65.969 1.00 0.00 WT5 H ATOM 53209 OH2 TIP3 2282 31.988 75.411 47.748 1.00 0.00 WT5 O ATOM 53210 H1 TIP3 2282 31.475 76.219 47.758 1.00 0.00 WT5 H ATOM 53211 H2 TIP3 2282 32.678 75.572 47.106 1.00 0.00 WT5 H ATOM 53212 OH2 TIP3 2288 85.467 77.615 20.293 1.00 0.00 WT5 O ATOM 53213 H1 TIP3 2288 84.847 78.342 20.239 1.00 0.00 WT5 H ATOM 53214 H2 TIP3 2288 85.775 77.495 19.394 1.00 0.00 WT5 H ATOM 53215 OH2 TIP3 2290 64.516 21.682 20.990 1.00 0.00 WT5 O ATOM 53216 H1 TIP3 2290 63.732 22.169 20.738 1.00 0.00 WT5 H ATOM 53217 H2 TIP3 2290 64.824 22.118 21.784 1.00 0.00 WT5 H ATOM 53218 OH2 TIP3 2293 84.008 3.967 56.807 1.00 0.00 WT5 O ATOM 53219 H1 TIP3 2293 84.506 4.003 57.624 1.00 0.00 WT5 H ATOM 53220 H2 TIP3 2293 84.401 4.645 56.257 1.00 0.00 WT5 H ATOM 53221 OH2 TIP3 2317 32.753 50.902 -15.779 1.00 0.00 WT5 O ATOM 53222 H1 TIP3 2317 33.511 50.331 -15.906 1.00 0.00 WT5 H ATOM 53223 H2 TIP3 2317 32.918 51.338 -14.943 1.00 0.00 WT5 H ATOM 53224 OH2 TIP3 2323 34.049 30.664 -18.021 1.00 0.00 WT5 O ATOM 53225 H1 TIP3 2323 34.259 31.568 -17.786 1.00 0.00 WT5 H ATOM 53226 H2 TIP3 2323 34.823 30.351 -18.488 1.00 0.00 WT5 H ATOM 53227 OH2 TIP3 2324 32.068 46.286 61.271 1.00 0.00 WT5 O ATOM 53228 H1 TIP3 2324 32.807 45.722 61.040 1.00 0.00 WT5 H ATOM 53229 H2 TIP3 2324 32.345 46.730 62.072 1.00 0.00 WT5 H ATOM 53230 OH2 TIP3 2327 30.361 12.505 35.041 1.00 0.00 WT5 O ATOM 53231 H1 TIP3 2327 29.438 12.695 34.871 1.00 0.00 WT5 H ATOM 53232 H2 TIP3 2327 30.426 11.552 34.974 1.00 0.00 WT5 H ATOM 53233 OH2 TIP3 2357 74.861 90.965 -7.581 1.00 0.00 WT5 O ATOM 53234 H1 TIP3 2357 74.822 90.433 -8.376 1.00 0.00 WT5 H ATOM 53235 H2 TIP3 2357 74.374 91.760 -7.800 1.00 0.00 WT5 H ATOM 53236 OH2 TIP3 2358 67.175 12.223 -0.897 1.00 0.00 WT5 O ATOM 53237 H1 TIP3 2358 67.124 11.267 -0.904 1.00 0.00 WT5 H ATOM 53238 H2 TIP3 2358 66.499 12.504 -1.514 1.00 0.00 WT5 H ATOM 53239 OH2 TIP3 2372 30.117 0.516 37.674 1.00 0.00 WT5 O ATOM 53240 H1 TIP3 2372 30.422 -0.093 38.347 1.00 0.00 WT5 H ATOM 53241 H2 TIP3 2372 29.399 0.993 38.090 1.00 0.00 WT5 H ATOM 53242 OH2 TIP3 2408 60.703 48.309 33.679 1.00 0.00 WT5 O ATOM 53243 H1 TIP3 2408 60.883 47.876 32.844 1.00 0.00 WT5 H ATOM 53244 H2 TIP3 2408 59.770 48.518 33.644 1.00 0.00 WT5 H ATOM 53245 OH2 TIP3 2410 31.130 26.192 9.097 1.00 0.00 WT5 O ATOM 53246 H1 TIP3 2410 31.330 27.118 9.232 1.00 0.00 WT5 H ATOM 53247 H2 TIP3 2410 31.745 25.728 9.665 1.00 0.00 WT5 H ATOM 53248 OH2 TIP3 2411 75.538 8.496 -0.780 1.00 0.00 WT5 O ATOM 53249 H1 TIP3 2411 74.713 8.867 -0.466 1.00 0.00 WT5 H ATOM 53250 H2 TIP3 2411 76.198 8.828 -0.172 1.00 0.00 WT5 H ATOM 53251 OH2 TIP3 2462 53.660 32.340 62.521 1.00 0.00 WT5 O ATOM 53252 H1 TIP3 2462 53.054 32.431 61.785 1.00 0.00 WT5 H ATOM 53253 H2 TIP3 2462 54.352 31.767 62.192 1.00 0.00 WT5 H ATOM 53254 OH2 TIP3 2468 39.189 45.186 1.736 1.00 0.00 WT5 O ATOM 53255 H1 TIP3 2468 39.633 44.742 2.459 1.00 0.00 WT5 H ATOM 53256 H2 TIP3 2468 38.267 44.953 1.841 1.00 0.00 WT5 H ATOM 53257 OH2 TIP3 2471 69.609 14.077 12.693 1.00 0.00 WT5 O ATOM 53258 H1 TIP3 2471 69.067 14.862 12.776 1.00 0.00 WT5 H ATOM 53259 H2 TIP3 2471 69.469 13.783 11.793 1.00 0.00 WT5 H ATOM 53260 OH2 TIP3 2474 61.990 91.073 30.894 1.00 0.00 WT5 O ATOM 53261 H1 TIP3 2474 62.805 90.619 31.107 1.00 0.00 WT5 H ATOM 53262 H2 TIP3 2474 62.267 91.834 30.382 1.00 0.00 WT5 H ATOM 53263 OH2 TIP3 2500 64.441 56.991 -19.222 1.00 0.00 WT5 O ATOM 53264 H1 TIP3 2500 65.021 56.496 -19.801 1.00 0.00 WT5 H ATOM 53265 H2 TIP3 2500 63.897 57.510 -19.814 1.00 0.00 WT5 H ATOM 53266 OH2 TIP3 2521 20.886 92.115 -8.347 1.00 0.00 WT5 O ATOM 53267 H1 TIP3 2521 21.500 92.795 -8.069 1.00 0.00 WT5 H ATOM 53268 H2 TIP3 2521 20.700 92.319 -9.263 1.00 0.00 WT5 H ATOM 53269 OH2 TIP3 2524 76.329 68.380 2.785 1.00 0.00 WT5 O ATOM 53270 H1 TIP3 2524 76.099 67.461 2.924 1.00 0.00 WT5 H ATOM 53271 H2 TIP3 2524 75.932 68.841 3.524 1.00 0.00 WT5 H ATOM 53272 OH2 TIP3 2525 38.874 63.327 -19.196 1.00 0.00 WT5 O ATOM 53273 H1 TIP3 2525 38.475 64.185 -19.340 1.00 0.00 WT5 H ATOM 53274 H2 TIP3 2525 39.303 63.402 -18.344 1.00 0.00 WT5 H ATOM 53275 OH2 TIP3 2542 44.759 53.739 57.888 1.00 0.00 WT5 O ATOM 53276 H1 TIP3 2542 44.686 54.473 57.277 1.00 0.00 WT5 H ATOM 53277 H2 TIP3 2542 45.261 54.090 58.624 1.00 0.00 WT5 H ATOM 53278 OH2 TIP3 2559 72.327 53.604 15.409 1.00 0.00 WT5 O ATOM 53279 H1 TIP3 2559 72.468 53.068 14.629 1.00 0.00 WT5 H ATOM 53280 H2 TIP3 2559 71.457 53.351 15.720 1.00 0.00 WT5 H ATOM 53281 OH2 TIP3 2560 74.487 65.832 37.777 1.00 0.00 WT5 O ATOM 53282 H1 TIP3 2560 74.197 66.507 37.164 1.00 0.00 WT5 H ATOM 53283 H2 TIP3 2560 73.696 65.329 37.973 1.00 0.00 WT5 H ATOM 53284 OH2 TIP3 2568 38.976 35.010 35.926 1.00 0.00 WT5 O ATOM 53285 H1 TIP3 2568 39.194 35.028 34.994 1.00 0.00 WT5 H ATOM 53286 H2 TIP3 2568 39.277 35.856 36.259 1.00 0.00 WT5 H ATOM 53287 OH2 TIP3 2570 54.861 91.803 17.495 1.00 0.00 WT5 O ATOM 53288 H1 TIP3 2570 55.002 92.502 16.857 1.00 0.00 WT5 H ATOM 53289 H2 TIP3 2570 54.533 91.068 16.977 1.00 0.00 WT5 H ATOM 53290 OH2 TIP3 2603 38.924 81.113 -19.065 1.00 0.00 WT5 O ATOM 53291 H1 TIP3 2603 38.705 80.191 -19.203 1.00 0.00 WT5 H ATOM 53292 H2 TIP3 2603 39.632 81.097 -18.421 1.00 0.00 WT5 H ATOM 53293 OH2 TIP3 2629 49.197 9.437 16.781 1.00 0.00 WT5 O ATOM 53294 H1 TIP3 2629 48.826 10.314 16.875 1.00 0.00 WT5 H ATOM 53295 H2 TIP3 2629 49.554 9.421 15.893 1.00 0.00 WT5 H ATOM 53296 OH2 TIP3 2644 25.488 32.118 -1.302 1.00 0.00 WT5 O ATOM 53297 H1 TIP3 2644 25.764 32.561 -0.500 1.00 0.00 WT5 H ATOM 53298 H2 TIP3 2644 26.098 31.386 -1.395 1.00 0.00 WT5 H ATOM 53299 OH2 TIP3 2705 48.042 85.731 33.836 1.00 0.00 WT5 O ATOM 53300 H1 TIP3 2705 47.674 85.073 33.245 1.00 0.00 WT5 H ATOM 53301 H2 TIP3 2705 48.975 85.522 33.877 1.00 0.00 WT5 H ATOM 53302 OH2 TIP3 2714 20.856 2.269 7.911 1.00 0.00 WT5 O ATOM 53303 H1 TIP3 2714 21.050 2.091 8.831 1.00 0.00 WT5 H ATOM 53304 H2 TIP3 2714 19.930 2.049 7.813 1.00 0.00 WT5 H ATOM 53305 OH2 TIP3 2759 86.746 25.902 31.492 1.00 0.00 WT5 O ATOM 53306 H1 TIP3 2759 86.284 26.364 32.192 1.00 0.00 WT5 H ATOM 53307 H2 TIP3 2759 87.001 26.590 30.878 1.00 0.00 WT5 H ATOM 53308 OH2 TIP3 2780 60.805 22.848 -17.001 1.00 0.00 WT5 O ATOM 53309 H1 TIP3 2780 61.666 22.430 -16.994 1.00 0.00 WT5 H ATOM 53310 H2 TIP3 2780 60.418 22.586 -17.836 1.00 0.00 WT5 H ATOM 53311 OH2 TIP3 2781 53.082 21.632 63.516 1.00 0.00 WT5 O ATOM 53312 H1 TIP3 2781 53.595 21.413 62.738 1.00 0.00 WT5 H ATOM 53313 H2 TIP3 2781 52.941 22.577 63.453 1.00 0.00 WT5 H ATOM 53314 OH2 TIP3 2802 71.352 58.556 45.173 1.00 0.00 WT5 O ATOM 53315 H1 TIP3 2802 70.687 59.085 45.615 1.00 0.00 WT5 H ATOM 53316 H2 TIP3 2802 71.041 58.484 44.271 1.00 0.00 WT5 H ATOM 53317 OH2 TIP3 2855 64.393 20.193 32.388 1.00 0.00 WT5 O ATOM 53318 H1 TIP3 2855 64.383 20.774 33.148 1.00 0.00 WT5 H ATOM 53319 H2 TIP3 2855 65.098 20.530 31.836 1.00 0.00 WT5 H ATOM 53320 OH2 TIP3 2872 31.599 70.124 28.642 1.00 0.00 WT5 O ATOM 53321 H1 TIP3 2872 31.670 70.853 28.025 1.00 0.00 WT5 H ATOM 53322 H2 TIP3 2872 32.237 69.483 28.330 1.00 0.00 WT5 H ATOM 53323 OH2 TIP3 2894 66.309 49.148 -11.937 1.00 0.00 WT5 O ATOM 53324 H1 TIP3 2894 67.206 48.818 -11.989 1.00 0.00 WT5 H ATOM 53325 H2 TIP3 2894 66.153 49.272 -11.000 1.00 0.00 WT5 H ATOM 53326 OH2 TIP3 2895 85.390 68.820 -5.286 1.00 0.00 WT5 O ATOM 53327 H1 TIP3 2895 85.618 68.668 -4.369 1.00 0.00 WT5 H ATOM 53328 H2 TIP3 2895 84.464 68.585 -5.346 1.00 0.00 WT5 H ATOM 53329 OH2 TIP3 2906 77.348 66.465 22.982 1.00 0.00 WT5 O ATOM 53330 H1 TIP3 2906 77.025 65.632 22.639 1.00 0.00 WT5 H ATOM 53331 H2 TIP3 2906 76.559 66.938 23.246 1.00 0.00 WT5 H ATOM 53332 OH2 TIP3 2980 78.931 72.483 35.368 1.00 0.00 WT5 O ATOM 53333 H1 TIP3 2980 78.780 71.954 34.585 1.00 0.00 WT5 H ATOM 53334 H2 TIP3 2980 79.402 73.253 35.050 1.00 0.00 WT5 H ATOM 53335 OH2 TIP3 3029 52.968 26.693 18.003 1.00 0.00 WT5 O ATOM 53336 H1 TIP3 3029 52.065 26.817 17.711 1.00 0.00 WT5 H ATOM 53337 H2 TIP3 3029 53.055 27.268 18.763 1.00 0.00 WT5 H ATOM 53338 OH2 TIP3 3063 33.726 27.941 23.261 1.00 0.00 WT5 O ATOM 53339 H1 TIP3 3063 33.786 28.124 24.199 1.00 0.00 WT5 H ATOM 53340 H2 TIP3 3063 34.498 27.408 23.071 1.00 0.00 WT5 H ATOM 53341 OH2 TIP3 3287 22.201 18.004 -1.991 1.00 0.00 WT5 O ATOM 53342 H1 TIP3 3287 22.874 18.013 -2.672 1.00 0.00 WT5 H ATOM 53343 H2 TIP3 3287 21.552 17.374 -2.304 1.00 0.00 WT5 H ATOM 53344 OH2 TIP3 3294 24.826 82.403 1.156 1.00 0.00 WT5 O ATOM 53345 H1 TIP3 3294 25.101 81.873 0.407 1.00 0.00 WT5 H ATOM 53346 H2 TIP3 3294 25.019 81.858 1.919 1.00 0.00 WT5 H ATOM 53347 OH2 TIP3 3521 82.887 82.766 -13.253 1.00 0.00 WT5 O ATOM 53348 H1 TIP3 3521 82.765 81.816 -13.257 1.00 0.00 WT5 H ATOM 53349 H2 TIP3 3521 83.523 82.923 -12.556 1.00 0.00 WT5 H ATOM 53350 OH2 TIP3 3665 82.461 10.540 36.983 1.00 0.00 WT5 O ATOM 53351 H1 TIP3 3665 81.603 10.180 37.211 1.00 0.00 WT5 H ATOM 53352 H2 TIP3 3665 82.838 9.898 36.381 1.00 0.00 WT5 H ATOM 53353 OH2 TIP3 3877 42.704 52.871 52.623 1.00 0.00 WT5 O ATOM 53354 H1 TIP3 3877 43.182 52.737 51.805 1.00 0.00 WT5 H ATOM 53355 H2 TIP3 3877 42.246 53.703 52.501 1.00 0.00 WT5 H ATOM 53356 OH2 TIP3 5421 89.044 32.327 28.206 1.00 0.00 WT5 O ATOM 53357 H1 TIP3 5421 89.669 33.044 28.098 1.00 0.00 WT5 H ATOM 53358 H2 TIP3 5421 88.209 32.760 28.378 1.00 0.00 WT5 H ATOM 53359 OH2 TIP3 6240 36.028 68.160 55.944 1.00 0.00 WT5 O ATOM 53360 H1 TIP3 6240 35.347 68.112 56.615 1.00 0.00 WT5 H ATOM 53361 H2 TIP3 6240 35.655 67.702 55.190 1.00 0.00 WT5 H ATOM 53362 OH2 TIP3 6350 77.752 79.154 12.692 1.00 0.00 WT5 O ATOM 53363 H1 TIP3 6350 77.087 79.368 12.038 1.00 0.00 WT5 H ATOM 53364 H2 TIP3 6350 77.307 79.264 13.532 1.00 0.00 WT5 H ATOM 53365 OH2 TIP3 6479 78.749 46.393 9.569 1.00 0.00 WT5 O ATOM 53366 H1 TIP3 6479 78.094 46.031 10.165 1.00 0.00 WT5 H ATOM 53367 H2 TIP3 6479 79.302 46.942 10.125 1.00 0.00 WT5 H ATOM 53368 OH2 TIP3 6628 39.606 22.203 27.612 1.00 0.00 WT5 O ATOM 53369 H1 TIP3 6628 39.438 23.126 27.422 1.00 0.00 WT5 H ATOM 53370 H2 TIP3 6628 39.991 21.858 26.807 1.00 0.00 WT5 H ATOM 53371 OH2 TIP3 6650 83.816 1.590 -3.332 1.00 0.00 WT5 O ATOM 53372 H1 TIP3 6650 83.958 2.465 -2.971 1.00 0.00 WT5 H ATOM 53373 H2 TIP3 6650 83.541 1.745 -4.235 1.00 0.00 WT5 H ATOM 53374 OH2 TIP3 6671 26.931 76.155 7.876 1.00 0.00 WT5 O ATOM 53375 H1 TIP3 6671 26.650 76.327 8.775 1.00 0.00 WT5 H ATOM 53376 H2 TIP3 6671 27.796 76.560 7.813 1.00 0.00 WT5 H ATOM 53377 OH2 TIP3 6751 88.087 72.526 -7.133 1.00 0.00 WT5 O ATOM 53378 H1 TIP3 6751 87.304 71.975 -7.157 1.00 0.00 WT5 H ATOM 53379 H2 TIP3 6751 88.131 72.840 -6.230 1.00 0.00 WT5 H ATOM 53380 OH2 TIP3 6773 65.369 40.421 -7.296 1.00 0.00 WT5 O ATOM 53381 H1 TIP3 6773 64.545 40.449 -6.810 1.00 0.00 WT5 H ATOM 53382 H2 TIP3 6773 65.992 40.022 -6.689 1.00 0.00 WT5 H ATOM 53383 OH2 TIP3 6964 55.961 63.673 64.264 1.00 0.00 WT5 O ATOM 53384 H1 TIP3 6964 55.476 64.110 64.965 1.00 0.00 WT5 H ATOM 53385 H2 TIP3 6964 55.472 62.867 64.101 1.00 0.00 WT5 H ATOM 53386 OH2 TIP3 6980 82.278 74.790 6.698 1.00 0.00 WT5 O ATOM 53387 H1 TIP3 6980 83.151 74.700 7.079 1.00 0.00 WT5 H ATOM 53388 H2 TIP3 6980 81.745 74.146 7.164 1.00 0.00 WT5 H ATOM 53389 OH2 TIP3 7027 67.794 53.474 57.456 1.00 0.00 WT5 O ATOM 53390 H1 TIP3 7027 66.902 53.746 57.241 1.00 0.00 WT5 H ATOM 53391 H2 TIP3 7027 67.921 53.760 58.361 1.00 0.00 WT5 H ATOM 53392 OH2 TIP3 7133 59.932 25.739 48.092 1.00 0.00 WT5 O ATOM 53393 H1 TIP3 7133 59.098 25.272 48.144 1.00 0.00 WT5 H ATOM 53394 H2 TIP3 7133 60.594 25.065 48.248 1.00 0.00 WT5 H ATOM 53395 OH2 TIP3 7165 77.719 20.942 41.961 1.00 0.00 WT5 O ATOM 53396 H1 TIP3 7165 78.355 21.326 41.358 1.00 0.00 WT5 H ATOM 53397 H2 TIP3 7165 78.143 20.147 42.283 1.00 0.00 WT5 H ATOM 53398 OH2 TIP3 7290 54.492 89.271 5.767 1.00 0.00 WT5 O ATOM 53399 H1 TIP3 7290 55.061 88.515 5.911 1.00 0.00 WT5 H ATOM 53400 H2 TIP3 7290 54.833 89.944 6.358 1.00 0.00 WT5 H ATOM 53401 OH2 TIP3 7295 86.796 92.653 -3.713 1.00 0.00 WT5 O ATOM 53402 H1 TIP3 7295 87.597 92.835 -3.222 1.00 0.00 WT5 H ATOM 53403 H2 TIP3 7295 87.074 92.637 -4.629 1.00 0.00 WT5 H ATOM 53404 OH2 TIP3 7308 81.127 2.570 46.016 1.00 0.00 WT5 O ATOM 53405 H1 TIP3 7308 80.723 2.027 45.340 1.00 0.00 WT5 H ATOM 53406 H2 TIP3 7308 81.980 2.809 45.654 1.00 0.00 WT5 H ATOM 53407 OH2 TIP3 7427 88.117 96.428 53.935 1.00 0.00 WT5 O ATOM 53408 H1 TIP3 7427 88.778 96.196 54.587 1.00 0.00 WT5 H ATOM 53409 H2 TIP3 7427 87.325 95.973 54.223 1.00 0.00 WT5 H ATOM 53410 OH2 TIP3 7532 32.282 28.516 63.646 1.00 0.00 WT5 O ATOM 53411 H1 TIP3 7532 33.138 28.339 63.256 1.00 0.00 WT5 H ATOM 53412 H2 TIP3 7532 32.464 28.642 64.578 1.00 0.00 WT5 H ATOM 53413 OH2 TIP3 7533 20.989 38.194 33.587 1.00 0.00 WT5 O ATOM 53414 H1 TIP3 7533 21.878 37.945 33.334 1.00 0.00 WT5 H ATOM 53415 H2 TIP3 7533 20.701 38.790 32.896 1.00 0.00 WT5 H ATOM 53416 OH2 TIP3 7537 38.188 9.644 36.185 1.00 0.00 WT5 O ATOM 53417 H1 TIP3 7537 37.671 10.345 35.787 1.00 0.00 WT5 H ATOM 53418 H2 TIP3 7537 38.008 8.876 35.643 1.00 0.00 WT5 H ATOM 53419 OH2 TIP3 7563 30.968 87.079 49.729 1.00 0.00 WT5 O ATOM 53420 H1 TIP3 7563 30.577 87.949 49.810 1.00 0.00 WT5 H ATOM 53421 H2 TIP3 7563 30.224 86.496 49.575 1.00 0.00 WT5 H ATOM 53422 OH2 TIP3 7568 23.649 8.210 44.317 1.00 0.00 WT5 O ATOM 53423 H1 TIP3 7568 24.423 8.280 44.875 1.00 0.00 WT5 H ATOM 53424 H2 TIP3 7568 23.120 7.524 44.725 1.00 0.00 WT5 H ATOM 53425 OH2 TIP3 7576 82.697 85.683 37.353 1.00 0.00 WT5 O ATOM 53426 H1 TIP3 7576 83.038 86.569 37.466 1.00 0.00 WT5 H ATOM 53427 H2 TIP3 7576 82.950 85.440 36.462 1.00 0.00 WT5 H ATOM 53428 OH2 TIP3 7583 57.280 90.257 3.405 1.00 0.00 WT5 O ATOM 53429 H1 TIP3 7583 57.699 89.913 2.616 1.00 0.00 WT5 H ATOM 53430 H2 TIP3 7583 56.431 89.815 3.438 1.00 0.00 WT5 H ATOM 53431 OH2 TIP3 7592 23.890 43.236 14.190 1.00 0.00 WT5 O ATOM 53432 H1 TIP3 7592 22.943 43.372 14.202 1.00 0.00 WT5 H ATOM 53433 H2 TIP3 7592 24.142 43.226 15.114 1.00 0.00 WT5 H ATOM 53434 OH2 TIP3 7603 64.104 61.056 45.799 1.00 0.00 WT5 O ATOM 53435 H1 TIP3 7603 63.981 60.649 44.941 1.00 0.00 WT5 H ATOM 53436 H2 TIP3 7603 63.585 61.860 45.759 1.00 0.00 WT5 H ATOM 53437 OH2 TIP3 7607 49.669 36.597 48.132 1.00 0.00 WT5 O ATOM 53438 H1 TIP3 7607 50.487 36.452 47.658 1.00 0.00 WT5 H ATOM 53439 H2 TIP3 7607 49.443 37.509 47.948 1.00 0.00 WT5 H ATOM 53440 OH2 TIP3 7630 37.563 6.233 2.291 1.00 0.00 WT5 O ATOM 53441 H1 TIP3 7630 37.567 5.433 2.816 1.00 0.00 WT5 H ATOM 53442 H2 TIP3 7630 38.110 6.845 2.782 1.00 0.00 WT5 H ATOM 53443 OH2 TIP3 7631 88.812 32.145 4.412 1.00 0.00 WT5 O ATOM 53444 H1 TIP3 7631 89.563 31.636 4.718 1.00 0.00 WT5 H ATOM 53445 H2 TIP3 7631 88.052 31.697 4.781 1.00 0.00 WT5 H ATOM 53446 OH2 TIP3 7634 20.601 45.974 23.193 1.00 0.00 WT5 O ATOM 53447 H1 TIP3 7634 21.313 46.546 22.907 1.00 0.00 WT5 H ATOM 53448 H2 TIP3 7634 19.817 46.347 22.790 1.00 0.00 WT5 H ATOM 53449 OH2 TIP3 7642 80.895 33.838 50.233 1.00 0.00 WT5 O ATOM 53450 H1 TIP3 7642 81.583 34.467 50.015 1.00 0.00 WT5 H ATOM 53451 H2 TIP3 7642 80.862 33.249 49.479 1.00 0.00 WT5 H ATOM 53452 OH2 TIP3 7647 55.672 11.729 6.152 1.00 0.00 WT5 O ATOM 53453 H1 TIP3 7647 54.898 11.236 6.423 1.00 0.00 WT5 H ATOM 53454 H2 TIP3 7647 56.286 11.631 6.879 1.00 0.00 WT5 H ATOM 53455 OH2 TIP3 7650 38.732 37.066 22.205 1.00 0.00 WT5 O ATOM 53456 H1 TIP3 7650 39.358 36.645 22.794 1.00 0.00 WT5 H ATOM 53457 H2 TIP3 7650 39.151 37.892 21.961 1.00 0.00 WT5 H ATOM 53458 OH2 TIP3 7661 73.629 25.572 41.199 1.00 0.00 WT5 O ATOM 53459 H1 TIP3 7661 73.301 26.397 40.841 1.00 0.00 WT5 H ATOM 53460 H2 TIP3 7661 73.138 25.451 42.011 1.00 0.00 WT5 H ATOM 53461 OH2 TIP3 7707 65.190 16.574 -17.405 1.00 0.00 WT5 O ATOM 53462 H1 TIP3 7707 65.907 17.031 -16.966 1.00 0.00 WT5 H ATOM 53463 H2 TIP3 7707 65.142 16.977 -18.272 1.00 0.00 WT5 H ATOM 53464 OH2 TIP3 7715 28.146 48.666 58.643 1.00 0.00 WT5 O ATOM 53465 H1 TIP3 7715 28.831 49.271 58.358 1.00 0.00 WT5 H ATOM 53466 H2 TIP3 7715 27.329 49.082 58.368 1.00 0.00 WT5 H ATOM 53467 OH2 TIP3 7739 67.716 36.495 53.587 1.00 0.00 WT5 O ATOM 53468 H1 TIP3 7739 66.840 36.866 53.695 1.00 0.00 WT5 H ATOM 53469 H2 TIP3 7739 67.773 36.280 52.656 1.00 0.00 WT5 H ATOM 53470 OH2 TIP3 7748 22.708 1.647 38.175 1.00 0.00 WT5 O ATOM 53471 H1 TIP3 7748 22.314 2.473 37.895 1.00 0.00 WT5 H ATOM 53472 H2 TIP3 7748 22.630 1.655 39.129 1.00 0.00 WT5 H ATOM 53473 OH2 TIP3 7784 33.258 28.221 38.150 1.00 0.00 WT5 O ATOM 53474 H1 TIP3 7784 33.552 28.837 38.821 1.00 0.00 WT5 H ATOM 53475 H2 TIP3 7784 32.443 27.858 38.498 1.00 0.00 WT5 H ATOM 53476 OH2 TIP3 7833 35.626 65.384 39.334 1.00 0.00 WT5 O ATOM 53477 H1 TIP3 7833 35.931 65.726 38.494 1.00 0.00 WT5 H ATOM 53478 H2 TIP3 7833 36.366 65.509 39.927 1.00 0.00 WT5 H ATOM 53479 OH2 TIP3 7846 38.348 55.513 10.745 1.00 0.00 WT5 O ATOM 53480 H1 TIP3 7846 39.171 55.229 10.347 1.00 0.00 WT5 H ATOM 53481 H2 TIP3 7846 38.614 56.010 11.519 1.00 0.00 WT5 H ATOM 53482 OH2 TIP3 7925 78.030 54.852 -3.769 1.00 0.00 WT5 O ATOM 53483 H1 TIP3 7925 78.572 55.563 -4.112 1.00 0.00 WT5 H ATOM 53484 H2 TIP3 7925 78.251 54.809 -2.838 1.00 0.00 WT5 H ATOM 53485 OH2 TIP3 7944 83.883 28.354 11.652 1.00 0.00 WT5 O ATOM 53486 H1 TIP3 7944 83.442 27.573 11.986 1.00 0.00 WT5 H ATOM 53487 H2 TIP3 7944 84.477 28.024 10.977 1.00 0.00 WT5 H ATOM 53488 OH2 TIP3 7951 45.991 72.515 12.348 1.00 0.00 WT5 O ATOM 53489 H1 TIP3 7951 46.590 73.114 11.902 1.00 0.00 WT5 H ATOM 53490 H2 TIP3 7951 45.666 71.941 11.655 1.00 0.00 WT5 H ATOM 53491 OH2 TIP3 7959 43.670 83.023 60.859 1.00 0.00 WT5 O ATOM 53492 H1 TIP3 7959 43.878 82.718 61.742 1.00 0.00 WT5 H ATOM 53493 H2 TIP3 7959 44.453 83.498 60.578 1.00 0.00 WT5 H ATOM 53494 OH2 TIP3 7978 20.647 76.251 37.944 1.00 0.00 WT5 O ATOM 53495 H1 TIP3 7978 19.814 75.781 37.965 1.00 0.00 WT5 H ATOM 53496 H2 TIP3 7978 21.061 75.970 37.128 1.00 0.00 WT5 H ATOM 53497 OH2 TIP3 7979 70.765 45.248 20.034 1.00 0.00 WT5 O ATOM 53498 H1 TIP3 7979 69.963 44.841 20.361 1.00 0.00 WT5 H ATOM 53499 H2 TIP3 7979 70.777 45.039 19.100 1.00 0.00 WT5 H ATOM 53500 OH2 TIP3 7985 41.669 72.272 -3.144 1.00 0.00 WT5 O ATOM 53501 H1 TIP3 7985 42.312 71.563 -3.173 1.00 0.00 WT5 H ATOM 53502 H2 TIP3 7985 42.177 73.064 -3.315 1.00 0.00 WT5 H ATOM 53503 OH2 TIP3 7997 33.276 25.366 53.553 1.00 0.00 WT5 O ATOM 53504 H1 TIP3 7997 32.414 25.215 53.165 1.00 0.00 WT5 H ATOM 53505 H2 TIP3 7997 33.410 26.311 53.478 1.00 0.00 WT5 H ATOM 53506 OH2 TIP3 7998 36.043 96.203 52.163 1.00 0.00 WT5 O ATOM 53507 H1 TIP3 7998 36.986 96.348 52.090 1.00 0.00 WT5 H ATOM 53508 H2 TIP3 7998 35.658 96.787 51.510 1.00 0.00 WT5 H ATOM 53509 OH2 TIP3 8000 20.396 35.730 30.671 1.00 0.00 WT5 O ATOM 53510 H1 TIP3 8000 20.587 36.638 30.432 1.00 0.00 WT5 H ATOM 53511 H2 TIP3 8000 21.028 35.213 30.172 1.00 0.00 WT5 H ATOM 53512 OH2 TIP3 8014 67.726 12.144 35.594 1.00 0.00 WT5 O ATOM 53513 H1 TIP3 8014 66.988 11.824 35.075 1.00 0.00 WT5 H ATOM 53514 H2 TIP3 8014 67.772 13.079 35.394 1.00 0.00 WT5 H ATOM 53515 OH2 TIP3 8023 33.299 79.605 58.169 1.00 0.00 WT5 O ATOM 53516 H1 TIP3 8023 33.832 78.860 58.445 1.00 0.00 WT5 H ATOM 53517 H2 TIP3 8023 32.396 79.307 58.278 1.00 0.00 WT5 H ATOM 53518 OH2 TIP3 8024 33.835 71.542 58.633 1.00 0.00 WT5 O ATOM 53519 H1 TIP3 8024 34.419 72.017 58.042 1.00 0.00 WT5 H ATOM 53520 H2 TIP3 8024 34.323 70.754 58.871 1.00 0.00 WT5 H ATOM 53521 OH2 TIP3 8031 79.055 36.229 13.530 1.00 0.00 WT5 O ATOM 53522 H1 TIP3 8031 79.273 37.057 13.102 1.00 0.00 WT5 H ATOM 53523 H2 TIP3 8031 78.158 36.044 13.253 1.00 0.00 WT5 H ATOM 53524 OH2 TIP3 8034 31.322 69.266 9.117 1.00 0.00 WT5 O ATOM 53525 H1 TIP3 8034 31.976 69.956 9.004 1.00 0.00 WT5 H ATOM 53526 H2 TIP3 8034 31.821 68.451 9.067 1.00 0.00 WT5 H ATOM 53527 OH2 TIP3 8046 88.237 61.108 -8.578 1.00 0.00 WT5 O ATOM 53528 H1 TIP3 8046 88.769 60.611 -7.956 1.00 0.00 WT5 H ATOM 53529 H2 TIP3 8046 88.277 60.600 -9.388 1.00 0.00 WT5 H ATOM 53530 OH2 TIP3 8064 56.347 4.821 11.644 1.00 0.00 WT5 O ATOM 53531 H1 TIP3 8064 55.706 4.279 12.103 1.00 0.00 WT5 H ATOM 53532 H2 TIP3 8064 56.556 4.326 10.852 1.00 0.00 WT5 H ATOM 53533 OH2 TIP3 8067 76.473 52.383 27.378 1.00 0.00 WT5 O ATOM 53534 H1 TIP3 8067 76.301 52.832 28.206 1.00 0.00 WT5 H ATOM 53535 H2 TIP3 8067 75.628 52.010 27.127 1.00 0.00 WT5 H ATOM 53536 OH2 TIP3 8068 78.172 25.563 47.183 1.00 0.00 WT5 O ATOM 53537 H1 TIP3 8068 77.493 25.994 46.664 1.00 0.00 WT5 H ATOM 53538 H2 TIP3 8068 77.726 25.295 47.986 1.00 0.00 WT5 H ATOM 53539 OH2 TIP3 8079 35.255 28.388 50.229 1.00 0.00 WT5 O ATOM 53540 H1 TIP3 8079 34.460 27.925 50.492 1.00 0.00 WT5 H ATOM 53541 H2 TIP3 8079 35.242 28.363 49.273 1.00 0.00 WT5 H ATOM 53542 OH2 TIP3 8123 43.252 8.141 62.677 1.00 0.00 WT5 O ATOM 53543 H1 TIP3 8123 43.469 9.044 62.449 1.00 0.00 WT5 H ATOM 53544 H2 TIP3 8123 44.086 7.674 62.627 1.00 0.00 WT5 H ATOM 53545 OH2 TIP3 8133 38.933 58.526 4.606 1.00 0.00 WT5 O ATOM 53546 H1 TIP3 8133 38.847 58.171 5.490 1.00 0.00 WT5 H ATOM 53547 H2 TIP3 8133 39.825 58.300 4.342 1.00 0.00 WT5 H ATOM 53548 OH2 TIP3 8136 83.551 49.111 38.512 1.00 0.00 WT5 O ATOM 53549 H1 TIP3 8136 83.031 49.881 38.280 1.00 0.00 WT5 H ATOM 53550 H2 TIP3 8136 82.907 48.464 38.799 1.00 0.00 WT5 H ATOM 53551 OH2 TIP3 8140 45.393 52.922 34.791 1.00 0.00 WT5 O ATOM 53552 H1 TIP3 8140 44.758 52.385 34.317 1.00 0.00 WT5 H ATOM 53553 H2 TIP3 8140 45.215 52.745 35.714 1.00 0.00 WT5 H ATOM 53554 OH2 TIP3 8141 36.847 70.658 58.851 1.00 0.00 WT5 O ATOM 53555 H1 TIP3 8141 36.468 69.900 59.296 1.00 0.00 WT5 H ATOM 53556 H2 TIP3 8141 37.617 70.883 59.373 1.00 0.00 WT5 H ATOM 53557 OH2 TIP3 8161 79.426 36.378 22.665 1.00 0.00 WT5 O ATOM 53558 H1 TIP3 8161 79.151 35.999 21.830 1.00 0.00 WT5 H ATOM 53559 H2 TIP3 8161 78.689 36.925 22.935 1.00 0.00 WT5 H ATOM 53560 OH2 TIP3 8173 20.242 65.743 -10.347 1.00 0.00 WT5 O ATOM 53561 H1 TIP3 8173 21.053 65.579 -9.866 1.00 0.00 WT5 H ATOM 53562 H2 TIP3 8173 20.335 65.238 -11.154 1.00 0.00 WT5 H ATOM 53563 OH2 TIP3 8174 63.556 44.477 57.143 1.00 0.00 WT5 O ATOM 53564 H1 TIP3 8174 62.946 44.193 57.823 1.00 0.00 WT5 H ATOM 53565 H2 TIP3 8174 63.067 45.128 56.639 1.00 0.00 WT5 H ATOM 53566 OH2 TIP3 8176 41.748 6.901 56.252 1.00 0.00 WT5 O ATOM 53567 H1 TIP3 8176 41.833 6.778 55.306 1.00 0.00 WT5 H ATOM 53568 H2 TIP3 8176 40.858 6.610 56.452 1.00 0.00 WT5 H ATOM 53569 OH2 TIP3 8183 57.863 35.118 -17.715 1.00 0.00 WT5 O ATOM 53570 H1 TIP3 8183 57.526 35.890 -18.171 1.00 0.00 WT5 H ATOM 53571 H2 TIP3 8183 57.619 35.255 -16.799 1.00 0.00 WT5 H ATOM 53572 OH2 TIP3 8191 83.180 34.316 47.119 1.00 0.00 WT5 O ATOM 53573 H1 TIP3 8191 83.092 33.517 47.639 1.00 0.00 WT5 H ATOM 53574 H2 TIP3 8191 82.939 35.021 47.720 1.00 0.00 WT5 H ATOM 53575 OH2 TIP3 8193 57.404 23.961 47.877 1.00 0.00 WT5 O ATOM 53576 H1 TIP3 8193 56.942 23.123 47.869 1.00 0.00 WT5 H ATOM 53577 H2 TIP3 8193 57.286 24.291 48.768 1.00 0.00 WT5 H ATOM 53578 OH2 TIP3 8218 65.554 55.358 22.434 1.00 0.00 WT5 O ATOM 53579 H1 TIP3 8218 65.480 54.489 22.039 1.00 0.00 WT5 H ATOM 53580 H2 TIP3 8218 64.777 55.826 22.132 1.00 0.00 WT5 H ATOM 53581 OH2 TIP3 8222 46.557 36.565 -7.983 1.00 0.00 WT5 O ATOM 53582 H1 TIP3 8222 45.921 35.900 -7.717 1.00 0.00 WT5 H ATOM 53583 H2 TIP3 8222 46.301 37.349 -7.498 1.00 0.00 WT5 H ATOM 53584 OH2 TIP3 8229 58.384 13.884 15.811 1.00 0.00 WT5 O ATOM 53585 H1 TIP3 8229 58.823 14.516 15.242 1.00 0.00 WT5 H ATOM 53586 H2 TIP3 8229 57.810 14.416 16.362 1.00 0.00 WT5 H ATOM 53587 OH2 TIP3 8230 69.015 25.336 41.436 1.00 0.00 WT5 O ATOM 53588 H1 TIP3 8230 69.755 24.793 41.706 1.00 0.00 WT5 H ATOM 53589 H2 TIP3 8230 69.292 26.232 41.625 1.00 0.00 WT5 H ATOM 53590 OH2 TIP3 8260 25.743 94.783 65.008 1.00 0.00 WT5 O ATOM 53591 H1 TIP3 8260 25.156 95.473 65.318 1.00 0.00 WT5 H ATOM 53592 H2 TIP3 8260 25.335 93.969 65.305 1.00 0.00 WT5 H ATOM 53593 OH2 TIP3 8263 83.581 94.782 62.924 1.00 0.00 WT5 O ATOM 53594 H1 TIP3 8263 83.232 93.894 63.002 1.00 0.00 WT5 H ATOM 53595 H2 TIP3 8263 83.067 95.297 63.546 1.00 0.00 WT5 H ATOM 53596 OH2 TIP3 8264 72.183 76.994 19.551 1.00 0.00 WT5 O ATOM 53597 H1 TIP3 8264 72.232 77.783 19.011 1.00 0.00 WT5 H ATOM 53598 H2 TIP3 8264 72.476 77.278 20.417 1.00 0.00 WT5 H ATOM 53599 OH2 TIP3 8265 50.738 6.161 31.639 1.00 0.00 WT5 O ATOM 53600 H1 TIP3 8265 49.984 6.713 31.434 1.00 0.00 WT5 H ATOM 53601 H2 TIP3 8265 51.492 6.745 31.561 1.00 0.00 WT5 H ATOM 53602 OH2 TIP3 8266 88.451 31.979 -16.960 1.00 0.00 WT5 O ATOM 53603 H1 TIP3 8266 87.863 31.587 -17.606 1.00 0.00 WT5 H ATOM 53604 H2 TIP3 8266 88.839 32.728 -17.412 1.00 0.00 WT5 H ATOM 53605 OH2 TIP3 8278 74.055 46.365 59.629 1.00 0.00 WT5 O ATOM 53606 H1 TIP3 8278 73.313 46.330 59.024 1.00 0.00 WT5 H ATOM 53607 H2 TIP3 8278 74.023 47.249 59.995 1.00 0.00 WT5 H ATOM 53608 OH2 TIP3 8290 57.712 27.265 17.656 1.00 0.00 WT5 O ATOM 53609 H1 TIP3 8290 58.512 27.118 18.160 1.00 0.00 WT5 H ATOM 53610 H2 TIP3 8290 57.252 27.957 18.132 1.00 0.00 WT5 H ATOM 53611 OH2 TIP3 8308 79.229 53.313 55.131 1.00 0.00 WT5 O ATOM 53612 H1 TIP3 8308 79.626 52.572 55.587 1.00 0.00 WT5 H ATOM 53613 H2 TIP3 8308 78.327 53.336 55.450 1.00 0.00 WT5 H ATOM 53614 OH2 TIP3 8309 71.000 92.106 47.060 1.00 0.00 WT5 O ATOM 53615 H1 TIP3 8309 70.890 91.291 46.570 1.00 0.00 WT5 H ATOM 53616 H2 TIP3 8309 70.273 92.658 46.773 1.00 0.00 WT5 H ATOM 53617 OH2 TIP3 8328 89.033 82.416 63.746 1.00 0.00 WT5 O ATOM 53618 H1 TIP3 8328 88.345 81.758 63.849 1.00 0.00 WT5 H ATOM 53619 H2 TIP3 8328 89.095 82.552 62.801 1.00 0.00 WT5 H ATOM 53620 OH2 TIP3 8330 67.774 40.936 31.896 1.00 0.00 WT5 O ATOM 53621 H1 TIP3 8330 68.217 41.528 31.289 1.00 0.00 WT5 H ATOM 53622 H2 TIP3 8330 66.924 41.346 32.054 1.00 0.00 WT5 H ATOM 53623 OH2 TIP3 8351 34.999 62.417 18.008 1.00 0.00 WT5 O ATOM 53624 H1 TIP3 8351 35.508 61.709 17.614 1.00 0.00 WT5 H ATOM 53625 H2 TIP3 8351 34.514 61.997 18.718 1.00 0.00 WT5 H ATOM 53626 OH2 TIP3 8352 60.028 96.407 2.156 1.00 0.00 WT5 O ATOM 53627 H1 TIP3 8352 60.915 96.094 2.333 1.00 0.00 WT5 H ATOM 53628 H2 TIP3 8352 59.819 96.968 2.903 1.00 0.00 WT5 H ATOM 53629 OH2 TIP3 8357 50.180 91.916 12.398 1.00 0.00 WT5 O ATOM 53630 H1 TIP3 8357 49.940 91.021 12.639 1.00 0.00 WT5 H ATOM 53631 H2 TIP3 8357 49.796 92.461 13.085 1.00 0.00 WT5 H ATOM 53632 OH2 TIP3 8361 80.273 85.464 38.833 1.00 0.00 WT5 O ATOM 53633 H1 TIP3 8361 80.161 86.136 39.505 1.00 0.00 WT5 H ATOM 53634 H2 TIP3 8361 81.179 85.564 38.542 1.00 0.00 WT5 H ATOM 53635 OH2 TIP3 8368 66.420 69.318 18.649 1.00 0.00 WT5 O ATOM 53636 H1 TIP3 8368 65.627 69.656 18.234 1.00 0.00 WT5 H ATOM 53637 H2 TIP3 8368 66.616 68.513 18.170 1.00 0.00 WT5 H ATOM 53638 OH2 TIP3 8375 28.266 84.103 53.421 1.00 0.00 WT5 O ATOM 53639 H1 TIP3 8375 28.614 83.217 53.518 1.00 0.00 WT5 H ATOM 53640 H2 TIP3 8375 28.966 84.589 52.984 1.00 0.00 WT5 H ATOM 53641 OH2 TIP3 8376 36.126 1.789 26.284 1.00 0.00 WT5 O ATOM 53642 H1 TIP3 8376 35.565 2.067 25.561 1.00 0.00 WT5 H ATOM 53643 H2 TIP3 8376 36.766 2.495 26.377 1.00 0.00 WT5 H ATOM 53644 OH2 TIP3 8383 63.185 40.894 -5.656 1.00 0.00 WT5 O ATOM 53645 H1 TIP3 8383 63.395 41.618 -5.065 1.00 0.00 WT5 H ATOM 53646 H2 TIP3 8383 62.662 40.295 -5.124 1.00 0.00 WT5 H ATOM 53647 OH2 TIP3 8393 68.386 27.594 10.463 1.00 0.00 WT5 O ATOM 53648 H1 TIP3 8393 68.908 28.300 10.082 1.00 0.00 WT5 H ATOM 53649 H2 TIP3 8393 67.488 27.785 10.189 1.00 0.00 WT5 H ATOM 53650 OH2 TIP3 8395 63.812 27.204 48.385 1.00 0.00 WT5 O ATOM 53651 H1 TIP3 8395 62.957 27.604 48.540 1.00 0.00 WT5 H ATOM 53652 H2 TIP3 8395 64.442 27.889 48.609 1.00 0.00 WT5 H ATOM 53653 OH2 TIP3 8403 36.138 7.816 40.499 1.00 0.00 WT5 O ATOM 53654 H1 TIP3 8403 35.393 8.383 40.302 1.00 0.00 WT5 H ATOM 53655 H2 TIP3 8403 36.902 8.386 40.418 1.00 0.00 WT5 H ATOM 53656 OH2 TIP3 8408 59.732 34.379 58.522 1.00 0.00 WT5 O ATOM 53657 H1 TIP3 8408 59.168 35.067 58.168 1.00 0.00 WT5 H ATOM 53658 H2 TIP3 8408 59.736 33.701 57.846 1.00 0.00 WT5 H ATOM 53659 OH2 TIP3 8411 36.969 19.872 35.278 1.00 0.00 WT5 O ATOM 53660 H1 TIP3 8411 36.785 20.769 34.999 1.00 0.00 WT5 H ATOM 53661 H2 TIP3 8411 37.908 19.762 35.129 1.00 0.00 WT5 H ATOM 53662 OH2 TIP3 8414 55.336 88.516 61.959 1.00 0.00 WT5 O ATOM 53663 H1 TIP3 8414 55.705 88.617 62.836 1.00 0.00 WT5 H ATOM 53664 H2 TIP3 8414 55.454 87.588 61.755 1.00 0.00 WT5 H ATOM 53665 OH2 TIP3 8419 26.663 95.370 52.660 1.00 0.00 WT5 O ATOM 53666 H1 TIP3 8419 27.172 94.599 52.912 1.00 0.00 WT5 H ATOM 53667 H2 TIP3 8419 27.251 96.108 52.817 1.00 0.00 WT5 H ATOM 53668 OH2 TIP3 8425 55.467 31.798 -17.596 1.00 0.00 WT5 O ATOM 53669 H1 TIP3 8425 54.547 31.536 -17.583 1.00 0.00 WT5 H ATOM 53670 H2 TIP3 8425 55.833 31.348 -18.358 1.00 0.00 WT5 H ATOM 53671 OH2 TIP3 8440 42.352 4.170 38.212 1.00 0.00 WT5 O ATOM 53672 H1 TIP3 8440 41.763 4.361 38.941 1.00 0.00 WT5 H ATOM 53673 H2 TIP3 8440 42.093 3.298 37.916 1.00 0.00 WT5 H ATOM 53674 OH2 TIP3 8448 71.898 23.712 36.638 1.00 0.00 WT5 O ATOM 53675 H1 TIP3 8448 71.270 24.135 36.052 1.00 0.00 WT5 H ATOM 53676 H2 TIP3 8448 72.755 23.949 36.281 1.00 0.00 WT5 H ATOM 53677 OH2 TIP3 8452 25.602 33.256 66.279 1.00 0.00 WT5 O ATOM 53678 H1 TIP3 8452 26.055 33.841 65.671 1.00 0.00 WT5 H ATOM 53679 H2 TIP3 8452 25.434 33.796 67.052 1.00 0.00 WT5 H ATOM 53680 OH2 TIP3 8459 62.062 8.520 13.776 1.00 0.00 WT5 O ATOM 53681 H1 TIP3 8459 61.361 9.171 13.776 1.00 0.00 WT5 H ATOM 53682 H2 TIP3 8459 62.540 8.681 12.962 1.00 0.00 WT5 H ATOM 53683 OH2 TIP3 8466 79.448 33.216 52.457 1.00 0.00 WT5 O ATOM 53684 H1 TIP3 8466 80.019 33.388 51.708 1.00 0.00 WT5 H ATOM 53685 H2 TIP3 8466 78.592 33.033 52.070 1.00 0.00 WT5 H ATOM 53686 OH2 TIP3 8468 40.120 22.766 56.677 1.00 0.00 WT5 O ATOM 53687 H1 TIP3 8468 40.794 22.913 56.013 1.00 0.00 WT5 H ATOM 53688 H2 TIP3 8468 40.554 22.965 57.507 1.00 0.00 WT5 H ATOM 53689 OH2 TIP3 8488 67.435 53.284 21.454 1.00 0.00 WT5 O ATOM 53690 H1 TIP3 8488 68.019 53.083 20.723 1.00 0.00 WT5 H ATOM 53691 H2 TIP3 8488 66.673 52.721 21.315 1.00 0.00 WT5 H ATOM 53692 OH2 TIP3 8492 22.301 36.390 26.195 1.00 0.00 WT5 O ATOM 53693 H1 TIP3 8492 23.139 36.803 26.402 1.00 0.00 WT5 H ATOM 53694 H2 TIP3 8492 21.841 37.036 25.659 1.00 0.00 WT5 H ATOM 53695 OH2 TIP3 8500 52.553 89.516 55.080 1.00 0.00 WT5 O ATOM 53696 H1 TIP3 8500 53.106 90.084 54.544 1.00 0.00 WT5 H ATOM 53697 H2 TIP3 8500 52.569 88.671 54.631 1.00 0.00 WT5 H ATOM 53698 OH2 TIP3 8518 78.072 10.444 58.349 1.00 0.00 WT5 O ATOM 53699 H1 TIP3 8518 78.303 11.015 57.617 1.00 0.00 WT5 H ATOM 53700 H2 TIP3 8518 77.335 9.925 58.027 1.00 0.00 WT5 H ATOM 53701 OH2 TIP3 8520 59.944 14.078 12.891 1.00 0.00 WT5 O ATOM 53702 H1 TIP3 8520 60.464 14.048 12.089 1.00 0.00 WT5 H ATOM 53703 H2 TIP3 8520 59.986 14.993 13.170 1.00 0.00 WT5 H ATOM 53704 OH2 TIP3 8534 54.116 0.560 29.866 1.00 0.00 WT5 O ATOM 53705 H1 TIP3 8534 53.279 0.937 30.137 1.00 0.00 WT5 H ATOM 53706 H2 TIP3 8534 54.238 0.866 28.967 1.00 0.00 WT5 H ATOM 53707 OH2 TIP3 8536 49.587 4.168 -10.884 1.00 0.00 WT5 O ATOM 53708 H1 TIP3 8536 49.408 3.322 -11.295 1.00 0.00 WT5 H ATOM 53709 H2 TIP3 8536 48.889 4.741 -11.202 1.00 0.00 WT5 H ATOM 53710 OH2 TIP3 8537 31.674 39.936 46.765 1.00 0.00 WT5 O ATOM 53711 H1 TIP3 8537 31.479 39.404 47.536 1.00 0.00 WT5 H ATOM 53712 H2 TIP3 8537 32.512 39.600 46.447 1.00 0.00 WT5 H ATOM 53713 OH2 TIP3 8549 86.577 80.064 29.834 1.00 0.00 WT5 O ATOM 53714 H1 TIP3 8549 87.357 79.780 29.357 1.00 0.00 WT5 H ATOM 53715 H2 TIP3 8549 86.115 79.252 30.044 1.00 0.00 WT5 H ATOM 53716 OH2 TIP3 8556 86.272 68.550 -2.693 1.00 0.00 WT5 O ATOM 53717 H1 TIP3 8556 86.838 67.803 -2.499 1.00 0.00 WT5 H ATOM 53718 H2 TIP3 8556 85.651 68.576 -1.965 1.00 0.00 WT5 H ATOM 53719 OH2 TIP3 8558 70.366 84.537 -8.164 1.00 0.00 WT5 O ATOM 53720 H1 TIP3 8558 69.635 84.487 -8.780 1.00 0.00 WT5 H ATOM 53721 H2 TIP3 8558 70.320 83.718 -7.670 1.00 0.00 WT5 H ATOM 53722 OH2 TIP3 8560 23.793 48.746 61.737 1.00 0.00 WT5 O ATOM 53723 H1 TIP3 8560 23.418 49.243 62.465 1.00 0.00 WT5 H ATOM 53724 H2 TIP3 8560 24.736 48.759 61.899 1.00 0.00 WT5 H ATOM 53725 OH2 TIP3 8566 86.605 17.709 1.832 1.00 0.00 WT5 O ATOM 53726 H1 TIP3 8566 85.734 17.375 1.620 1.00 0.00 WT5 H ATOM 53727 H2 TIP3 8566 87.162 17.398 1.119 1.00 0.00 WT5 H ATOM 53728 OH2 TIP3 8567 56.548 67.367 51.125 1.00 0.00 WT5 O ATOM 53729 H1 TIP3 8567 56.779 67.712 50.262 1.00 0.00 WT5 H ATOM 53730 H2 TIP3 8567 55.594 67.287 51.104 1.00 0.00 WT5 H ATOM 53731 OH2 TIP3 8570 29.676 64.906 30.421 1.00 0.00 WT5 O ATOM 53732 H1 TIP3 8570 29.319 65.235 29.596 1.00 0.00 WT5 H ATOM 53733 H2 TIP3 8570 30.521 64.525 30.181 1.00 0.00 WT5 H ATOM 53734 OH2 TIP3 8574 72.006 5.858 46.847 1.00 0.00 WT5 O ATOM 53735 H1 TIP3 8574 72.492 5.236 47.387 1.00 0.00 WT5 H ATOM 53736 H2 TIP3 8574 71.090 5.603 46.952 1.00 0.00 WT5 H ATOM 53737 OH2 TIP3 8585 36.216 25.776 3.580 1.00 0.00 WT5 O ATOM 53738 H1 TIP3 8585 36.508 26.683 3.671 1.00 0.00 WT5 H ATOM 53739 H2 TIP3 8585 36.306 25.406 4.459 1.00 0.00 WT5 H ATOM 53740 OH2 TIP3 8600 20.973 90.767 10.776 1.00 0.00 WT5 O ATOM 53741 H1 TIP3 8600 20.215 90.726 10.193 1.00 0.00 WT5 H ATOM 53742 H2 TIP3 8600 21.006 89.903 11.188 1.00 0.00 WT5 H ATOM 53743 OH2 TIP3 8608 38.898 13.658 20.122 1.00 0.00 WT5 O ATOM 53744 H1 TIP3 8608 38.371 14.340 20.539 1.00 0.00 WT5 H ATOM 53745 H2 TIP3 8608 39.283 14.086 19.358 1.00 0.00 WT5 H ATOM 53746 OH2 TIP3 8622 72.899 63.556 26.854 1.00 0.00 WT5 O ATOM 53747 H1 TIP3 8622 73.119 62.648 26.646 1.00 0.00 WT5 H ATOM 53748 H2 TIP3 8622 72.213 63.491 27.519 1.00 0.00 WT5 H ATOM 53749 OH2 TIP3 8626 31.092 21.283 -14.550 1.00 0.00 WT5 O ATOM 53750 H1 TIP3 8626 30.324 21.561 -14.050 1.00 0.00 WT5 H ATOM 53751 H2 TIP3 8626 31.011 20.330 -14.602 1.00 0.00 WT5 H ATOM 53752 OH2 TIP3 8628 66.050 33.146 62.544 1.00 0.00 WT5 O ATOM 53753 H1 TIP3 8628 65.542 33.778 62.035 1.00 0.00 WT5 H ATOM 53754 H2 TIP3 8628 66.825 32.974 62.010 1.00 0.00 WT5 H ATOM 53755 OH2 TIP3 8642 45.160 47.027 62.293 1.00 0.00 WT5 O ATOM 53756 H1 TIP3 8642 45.364 47.017 61.358 1.00 0.00 WT5 H ATOM 53757 H2 TIP3 8642 44.827 46.148 62.476 1.00 0.00 WT5 H ATOM 53758 OH2 TIP3 8645 58.046 5.179 54.682 1.00 0.00 WT5 O ATOM 53759 H1 TIP3 8645 57.601 5.380 53.859 1.00 0.00 WT5 H ATOM 53760 H2 TIP3 8645 58.942 5.491 54.551 1.00 0.00 WT5 H ATOM 53761 OH2 TIP3 8653 60.848 32.261 53.712 1.00 0.00 WT5 O ATOM 53762 H1 TIP3 8653 61.636 32.117 53.187 1.00 0.00 WT5 H ATOM 53763 H2 TIP3 8653 60.285 32.799 53.157 1.00 0.00 WT5 H ATOM 53764 OH2 TIP3 8658 67.305 47.864 48.914 1.00 0.00 WT5 O ATOM 53765 H1 TIP3 8658 67.858 48.430 48.375 1.00 0.00 WT5 H ATOM 53766 H2 TIP3 8658 66.482 47.802 48.429 1.00 0.00 WT5 H ATOM 53767 OH2 TIP3 8661 66.101 29.279 -8.194 1.00 0.00 WT5 O ATOM 53768 H1 TIP3 8661 65.183 29.072 -8.020 1.00 0.00 WT5 H ATOM 53769 H2 TIP3 8661 66.071 30.002 -8.819 1.00 0.00 WT5 H ATOM 53770 OH2 TIP3 8662 37.696 45.138 52.056 1.00 0.00 WT5 O ATOM 53771 H1 TIP3 8662 38.484 45.304 51.540 1.00 0.00 WT5 H ATOM 53772 H2 TIP3 8662 37.099 45.847 51.817 1.00 0.00 WT5 H ATOM 53773 OH2 TIP3 8666 39.739 49.864 6.304 1.00 0.00 WT5 O ATOM 53774 H1 TIP3 8666 40.124 50.335 7.043 1.00 0.00 WT5 H ATOM 53775 H2 TIP3 8666 38.880 49.585 6.619 1.00 0.00 WT5 H ATOM 53776 OH2 TIP3 8675 68.771 30.503 2.615 1.00 0.00 WT5 O ATOM 53777 H1 TIP3 8675 68.875 31.454 2.617 1.00 0.00 WT5 H ATOM 53778 H2 TIP3 8675 69.599 30.170 2.962 1.00 0.00 WT5 H ATOM 53779 OH2 TIP3 8679 35.906 69.634 12.442 1.00 0.00 WT5 O ATOM 53780 H1 TIP3 8679 36.773 69.320 12.182 1.00 0.00 WT5 H ATOM 53781 H2 TIP3 8679 36.039 70.559 12.651 1.00 0.00 WT5 H ATOM 53782 OH2 TIP3 8680 26.131 82.409 62.802 1.00 0.00 WT5 O ATOM 53783 H1 TIP3 8680 25.282 82.591 62.399 1.00 0.00 WT5 H ATOM 53784 H2 TIP3 8680 26.567 81.820 62.186 1.00 0.00 WT5 H ATOM 53785 OH2 TIP3 8683 59.309 75.020 4.122 1.00 0.00 WT5 O ATOM 53786 H1 TIP3 8683 59.387 75.203 5.058 1.00 0.00 WT5 H ATOM 53787 H2 TIP3 8683 60.097 74.523 3.907 1.00 0.00 WT5 H ATOM 53788 OH2 TIP3 8687 47.068 39.101 16.610 1.00 0.00 WT5 O ATOM 53789 H1 TIP3 8687 47.749 39.001 17.274 1.00 0.00 WT5 H ATOM 53790 H2 TIP3 8687 46.566 39.865 16.894 1.00 0.00 WT5 H ATOM 53791 OH2 TIP3 8688 66.069 6.982 6.760 1.00 0.00 WT5 O ATOM 53792 H1 TIP3 8688 66.499 7.272 5.956 1.00 0.00 WT5 H ATOM 53793 H2 TIP3 8688 65.948 6.040 6.641 1.00 0.00 WT5 H ATOM 53794 OH2 TIP3 8690 80.914 37.631 31.145 1.00 0.00 WT5 O ATOM 53795 H1 TIP3 8690 80.602 38.263 31.793 1.00 0.00 WT5 H ATOM 53796 H2 TIP3 8690 81.330 36.942 31.663 1.00 0.00 WT5 H ATOM 53797 OH2 TIP3 8691 86.114 47.747 4.712 1.00 0.00 WT5 O ATOM 53798 H1 TIP3 8691 86.844 47.195 4.993 1.00 0.00 WT5 H ATOM 53799 H2 TIP3 8691 85.583 47.863 5.500 1.00 0.00 WT5 H ATOM 53800 OH2 TIP3 8695 71.134 82.387 49.735 1.00 0.00 WT5 O ATOM 53801 H1 TIP3 8695 71.899 82.574 49.191 1.00 0.00 WT5 H ATOM 53802 H2 TIP3 8695 70.897 81.486 49.515 1.00 0.00 WT5 H ATOM 53803 OH2 TIP3 8699 49.016 82.452 40.566 1.00 0.00 WT5 O ATOM 53804 H1 TIP3 8699 48.177 82.146 40.221 1.00 0.00 WT5 H ATOM 53805 H2 TIP3 8699 49.522 81.652 40.711 1.00 0.00 WT5 H ATOM 53806 OH2 TIP3 8701 58.392 75.520 47.661 1.00 0.00 WT5 O ATOM 53807 H1 TIP3 8701 59.103 74.880 47.645 1.00 0.00 WT5 H ATOM 53808 H2 TIP3 8701 58.825 76.356 47.834 1.00 0.00 WT5 H ATOM 53809 OH2 TIP3 8711 21.285 91.127 46.225 1.00 0.00 WT5 O ATOM 53810 H1 TIP3 8711 20.390 90.841 46.406 1.00 0.00 WT5 H ATOM 53811 H2 TIP3 8711 21.672 90.403 45.732 1.00 0.00 WT5 H ATOM 53812 OH2 TIP3 8713 58.551 82.890 61.948 1.00 0.00 WT5 O ATOM 53813 H1 TIP3 8713 57.688 83.104 61.596 1.00 0.00 WT5 H ATOM 53814 H2 TIP3 8713 58.521 81.946 62.100 1.00 0.00 WT5 H ATOM 53815 OH2 TIP3 8721 32.883 62.116 -4.884 1.00 0.00 WT5 O ATOM 53816 H1 TIP3 8721 32.465 61.363 -5.301 1.00 0.00 WT5 H ATOM 53817 H2 TIP3 8721 32.226 62.810 -4.929 1.00 0.00 WT5 H ATOM 53818 OH2 TIP3 8722 32.758 83.704 14.360 1.00 0.00 WT5 O ATOM 53819 H1 TIP3 8722 32.200 83.608 13.588 1.00 0.00 WT5 H ATOM 53820 H2 TIP3 8722 33.457 84.294 14.079 1.00 0.00 WT5 H ATOM 53821 OH2 TIP3 8723 58.120 42.220 51.315 1.00 0.00 WT5 O ATOM 53822 H1 TIP3 8723 57.700 42.981 51.717 1.00 0.00 WT5 H ATOM 53823 H2 TIP3 8723 58.300 42.493 50.415 1.00 0.00 WT5 H ATOM 53824 OH2 TIP3 8732 25.161 28.779 -5.301 1.00 0.00 WT5 O ATOM 53825 H1 TIP3 8732 24.722 28.431 -4.525 1.00 0.00 WT5 H ATOM 53826 H2 TIP3 8732 26.081 28.849 -5.046 1.00 0.00 WT5 H ATOM 53827 OH2 TIP3 8748 63.171 57.528 45.645 1.00 0.00 WT5 O ATOM 53828 H1 TIP3 8748 63.543 57.397 46.517 1.00 0.00 WT5 H ATOM 53829 H2 TIP3 8748 62.232 57.634 45.797 1.00 0.00 WT5 H ATOM 53830 OH2 TIP3 8774 69.755 90.486 8.811 1.00 0.00 WT5 O ATOM 53831 H1 TIP3 8774 68.851 90.669 8.554 1.00 0.00 WT5 H ATOM 53832 H2 TIP3 8774 69.711 89.637 9.251 1.00 0.00 WT5 H ATOM 53833 OH2 TIP3 8780 62.698 41.696 53.925 1.00 0.00 WT5 O ATOM 53834 H1 TIP3 8780 61.916 41.393 53.463 1.00 0.00 WT5 H ATOM 53835 H2 TIP3 8780 62.367 42.053 54.749 1.00 0.00 WT5 H ATOM 53836 OH2 TIP3 8791 54.180 61.181 47.520 1.00 0.00 WT5 O ATOM 53837 H1 TIP3 8791 54.819 60.623 47.965 1.00 0.00 WT5 H ATOM 53838 H2 TIP3 8791 54.286 60.974 46.592 1.00 0.00 WT5 H ATOM 53839 OH2 TIP3 8800 46.983 39.252 6.702 1.00 0.00 WT5 O ATOM 53840 H1 TIP3 8800 46.200 39.795 6.800 1.00 0.00 WT5 H ATOM 53841 H2 TIP3 8800 47.684 39.768 7.101 1.00 0.00 WT5 H ATOM 53842 OH2 TIP3 8809 21.743 14.546 53.240 1.00 0.00 WT5 O ATOM 53843 H1 TIP3 8809 21.339 13.975 53.894 1.00 0.00 WT5 H ATOM 53844 H2 TIP3 8809 21.056 14.689 52.590 1.00 0.00 WT5 H ATOM 53845 OH2 TIP3 8813 32.115 81.396 10.434 1.00 0.00 WT5 O ATOM 53846 H1 TIP3 8813 33.027 81.139 10.298 1.00 0.00 WT5 H ATOM 53847 H2 TIP3 8813 31.883 81.884 9.644 1.00 0.00 WT5 H ATOM 53848 OH2 TIP3 8822 23.261 75.031 -5.494 1.00 0.00 WT5 O ATOM 53849 H1 TIP3 8822 23.867 74.329 -5.258 1.00 0.00 WT5 H ATOM 53850 H2 TIP3 8822 22.591 75.009 -4.810 1.00 0.00 WT5 H ATOM 53851 OH2 TIP3 8824 21.495 71.688 42.609 1.00 0.00 WT5 O ATOM 53852 H1 TIP3 8824 21.961 71.260 43.328 1.00 0.00 WT5 H ATOM 53853 H2 TIP3 8824 21.406 71.007 41.942 1.00 0.00 WT5 H ATOM 53854 OH2 TIP3 8829 62.243 86.529 -7.237 1.00 0.00 WT5 O ATOM 53855 H1 TIP3 8829 62.957 87.166 -7.253 1.00 0.00 WT5 H ATOM 53856 H2 TIP3 8829 61.839 86.643 -6.377 1.00 0.00 WT5 H ATOM 53857 OH2 TIP3 8833 56.167 26.392 -14.326 1.00 0.00 WT5 O ATOM 53858 H1 TIP3 8833 55.490 26.686 -14.935 1.00 0.00 WT5 H ATOM 53859 H2 TIP3 8833 55.826 26.620 -13.461 1.00 0.00 WT5 H ATOM 53860 OH2 TIP3 8841 36.623 31.712 -18.678 1.00 0.00 WT5 O ATOM 53861 H1 TIP3 8841 36.904 32.625 -18.744 1.00 0.00 WT5 H ATOM 53862 H2 TIP3 8841 36.977 31.413 -17.840 1.00 0.00 WT5 H ATOM 53863 OH2 TIP3 8845 81.874 65.374 16.173 1.00 0.00 WT5 O ATOM 53864 H1 TIP3 8845 82.410 65.736 16.879 1.00 0.00 WT5 H ATOM 53865 H2 TIP3 8845 82.155 64.462 16.103 1.00 0.00 WT5 H ATOM 53866 OH2 TIP3 8851 48.712 2.286 20.091 1.00 0.00 WT5 O ATOM 53867 H1 TIP3 8851 49.193 1.691 19.515 1.00 0.00 WT5 H ATOM 53868 H2 TIP3 8851 48.393 2.976 19.511 1.00 0.00 WT5 H ATOM 53869 OH2 TIP3 8855 74.200 47.725 -16.922 1.00 0.00 WT5 O ATOM 53870 H1 TIP3 8855 74.062 48.669 -17.001 1.00 0.00 WT5 H ATOM 53871 H2 TIP3 8855 73.518 47.431 -16.319 1.00 0.00 WT5 H ATOM 53872 OH2 TIP3 8860 45.660 84.789 48.254 1.00 0.00 WT5 O ATOM 53873 H1 TIP3 8860 44.824 84.399 48.512 1.00 0.00 WT5 H ATOM 53874 H2 TIP3 8860 46.167 84.057 47.902 1.00 0.00 WT5 H ATOM 53875 OH2 TIP3 8864 59.809 9.034 -19.962 1.00 0.00 WT5 O ATOM 53876 H1 TIP3 8864 59.945 9.060 -19.015 1.00 0.00 WT5 H ATOM 53877 H2 TIP3 8864 59.570 9.931 -20.195 1.00 0.00 WT5 H ATOM 53878 OH2 TIP3 8870 77.412 55.603 5.806 1.00 0.00 WT5 O ATOM 53879 H1 TIP3 8870 77.983 55.011 6.296 1.00 0.00 WT5 H ATOM 53880 H2 TIP3 8870 76.525 55.314 6.021 1.00 0.00 WT5 H ATOM 53881 OH2 TIP3 8872 81.444 54.981 10.467 1.00 0.00 WT5 O ATOM 53882 H1 TIP3 8872 80.938 54.228 10.773 1.00 0.00 WT5 H ATOM 53883 H2 TIP3 8872 81.790 55.378 11.267 1.00 0.00 WT5 H ATOM 53884 OH2 TIP3 8876 31.912 65.124 -5.768 1.00 0.00 WT5 O ATOM 53885 H1 TIP3 8876 32.487 65.280 -5.019 1.00 0.00 WT5 H ATOM 53886 H2 TIP3 8876 31.230 65.791 -5.690 1.00 0.00 WT5 H ATOM 53887 OH2 TIP3 8877 75.122 43.438 53.419 1.00 0.00 WT5 O ATOM 53888 H1 TIP3 8877 75.189 43.550 54.367 1.00 0.00 WT5 H ATOM 53889 H2 TIP3 8877 75.964 43.745 53.081 1.00 0.00 WT5 H ATOM 53890 OH2 TIP3 8879 79.234 34.171 35.386 1.00 0.00 WT5 O ATOM 53891 H1 TIP3 8879 79.201 35.009 35.847 1.00 0.00 WT5 H ATOM 53892 H2 TIP3 8879 80.047 33.764 35.685 1.00 0.00 WT5 H ATOM 53893 OH2 TIP3 8890 30.240 38.960 12.454 1.00 0.00 WT5 O ATOM 53894 H1 TIP3 8890 30.164 39.387 11.600 1.00 0.00 WT5 H ATOM 53895 H2 TIP3 8890 31.093 39.240 12.787 1.00 0.00 WT5 H ATOM 53896 OH2 TIP3 8892 55.865 54.165 2.624 1.00 0.00 WT5 O ATOM 53897 H1 TIP3 8892 56.361 54.681 3.258 1.00 0.00 WT5 H ATOM 53898 H2 TIP3 8892 54.955 54.433 2.755 1.00 0.00 WT5 H ATOM 53899 OH2 TIP3 8893 43.359 16.007 -1.467 1.00 0.00 WT5 O ATOM 53900 H1 TIP3 8893 43.410 15.092 -1.193 1.00 0.00 WT5 H ATOM 53901 H2 TIP3 8893 44.121 16.132 -2.032 1.00 0.00 WT5 H ATOM 53902 OH2 TIP3 8894 88.559 58.511 -0.819 1.00 0.00 WT5 O ATOM 53903 H1 TIP3 8894 88.211 59.066 -0.122 1.00 0.00 WT5 H ATOM 53904 H2 TIP3 8894 89.220 59.052 -1.251 1.00 0.00 WT5 H ATOM 53905 OH2 TIP3 8904 24.901 11.417 30.106 1.00 0.00 WT5 O ATOM 53906 H1 TIP3 8904 24.889 10.688 29.486 1.00 0.00 WT5 H ATOM 53907 H2 TIP3 8904 25.430 12.089 29.675 1.00 0.00 WT5 H ATOM 53908 OH2 TIP3 8920 54.638 89.823 -9.997 1.00 0.00 WT5 O ATOM 53909 H1 TIP3 8920 55.528 89.636 -10.297 1.00 0.00 WT5 H ATOM 53910 H2 TIP3 8920 54.231 88.961 -9.901 1.00 0.00 WT5 H ATOM 53911 OH2 TIP3 8927 27.598 58.187 -5.813 1.00 0.00 WT5 O ATOM 53912 H1 TIP3 8927 27.184 59.006 -6.086 1.00 0.00 WT5 H ATOM 53913 H2 TIP3 8927 27.706 58.277 -4.866 1.00 0.00 WT5 H ATOM 53914 OH2 TIP3 8935 31.305 94.336 -16.839 1.00 0.00 WT5 O ATOM 53915 H1 TIP3 8935 31.832 94.375 -16.040 1.00 0.00 WT5 H ATOM 53916 H2 TIP3 8935 30.637 93.676 -16.653 1.00 0.00 WT5 H ATOM 53917 OH2 TIP3 8937 62.639 79.934 19.702 1.00 0.00 WT5 O ATOM 53918 H1 TIP3 8937 62.525 79.053 19.346 1.00 0.00 WT5 H ATOM 53919 H2 TIP3 8937 63.201 80.379 19.066 1.00 0.00 WT5 H ATOM 53920 OH2 TIP3 8938 78.402 15.821 58.333 1.00 0.00 WT5 O ATOM 53921 H1 TIP3 8938 79.302 15.964 58.041 1.00 0.00 WT5 H ATOM 53922 H2 TIP3 8938 78.025 15.238 57.675 1.00 0.00 WT5 H ATOM 53923 OH2 TIP3 8939 84.128 65.743 -5.713 1.00 0.00 WT5 O ATOM 53924 H1 TIP3 8939 83.853 65.422 -6.572 1.00 0.00 WT5 H ATOM 53925 H2 TIP3 8939 84.683 66.499 -5.906 1.00 0.00 WT5 H ATOM 53926 OH2 TIP3 8942 64.142 84.235 29.548 1.00 0.00 WT5 O ATOM 53927 H1 TIP3 8942 63.263 84.276 29.924 1.00 0.00 WT5 H ATOM 53928 H2 TIP3 8942 64.242 83.324 29.270 1.00 0.00 WT5 H ATOM 53929 OH2 TIP3 8956 40.210 89.045 43.220 1.00 0.00 WT5 O ATOM 53930 H1 TIP3 8956 40.109 89.758 43.850 1.00 0.00 WT5 H ATOM 53931 H2 TIP3 8956 39.957 88.259 43.705 1.00 0.00 WT5 H ATOM 53932 OH2 TIP3 8960 41.168 8.479 17.684 1.00 0.00 WT5 O ATOM 53933 H1 TIP3 8960 42.024 8.846 17.906 1.00 0.00 WT5 H ATOM 53934 H2 TIP3 8960 40.548 8.976 18.217 1.00 0.00 WT5 H ATOM 53935 OH2 TIP3 8964 79.964 36.695 66.314 1.00 0.00 WT5 O ATOM 53936 H1 TIP3 8964 79.536 35.888 66.028 1.00 0.00 WT5 H ATOM 53937 H2 TIP3 8964 80.705 36.798 65.716 1.00 0.00 WT5 H ATOM 53938 OH2 TIP3 8972 65.662 43.138 8.640 1.00 0.00 WT5 O ATOM 53939 H1 TIP3 8972 65.469 42.523 9.348 1.00 0.00 WT5 H ATOM 53940 H2 TIP3 8972 65.891 43.953 9.087 1.00 0.00 WT5 H ATOM 53941 OH2 TIP3 8973 25.341 26.697 -8.608 1.00 0.00 WT5 O ATOM 53942 H1 TIP3 8973 25.386 26.854 -9.551 1.00 0.00 WT5 H ATOM 53943 H2 TIP3 8973 25.439 27.564 -8.214 1.00 0.00 WT5 H ATOM 53944 OH2 TIP3 8977 60.574 14.104 39.644 1.00 0.00 WT5 O ATOM 53945 H1 TIP3 8977 61.395 14.579 39.520 1.00 0.00 WT5 H ATOM 53946 H2 TIP3 8977 59.898 14.710 39.341 1.00 0.00 WT5 H ATOM 53947 OH2 TIP3 8982 75.082 40.866 -9.365 1.00 0.00 WT5 O ATOM 53948 H1 TIP3 8982 75.981 40.710 -9.653 1.00 0.00 WT5 H ATOM 53949 H2 TIP3 8982 75.173 41.332 -8.534 1.00 0.00 WT5 H ATOM 53950 OH2 TIP3 8984 68.704 19.996 51.686 1.00 0.00 WT5 O ATOM 53951 H1 TIP3 8984 67.949 19.426 51.541 1.00 0.00 WT5 H ATOM 53952 H2 TIP3 8984 68.455 20.537 52.436 1.00 0.00 WT5 H ATOM 53953 OH2 TIP3 8988 33.348 53.507 3.781 1.00 0.00 WT5 O ATOM 53954 H1 TIP3 8988 33.803 52.680 3.620 1.00 0.00 WT5 H ATOM 53955 H2 TIP3 8988 33.258 53.904 2.915 1.00 0.00 WT5 H ATOM 53956 OH2 TIP3 9005 39.976 35.718 57.712 1.00 0.00 WT5 O ATOM 53957 H1 TIP3 9005 40.368 36.328 57.087 1.00 0.00 WT5 H ATOM 53958 H2 TIP3 9005 39.554 35.054 57.167 1.00 0.00 WT5 H ATOM 53959 OH2 TIP3 9012 22.076 35.896 -5.040 1.00 0.00 WT5 O ATOM 53960 H1 TIP3 9012 22.263 35.687 -4.125 1.00 0.00 WT5 H ATOM 53961 H2 TIP3 9012 21.152 35.673 -5.153 1.00 0.00 WT5 H ATOM 53962 OH2 TIP3 9017 37.504 41.298 -2.230 1.00 0.00 WT5 O ATOM 53963 H1 TIP3 9017 37.483 42.242 -2.391 1.00 0.00 WT5 H ATOM 53964 H2 TIP3 9017 37.810 40.920 -3.054 1.00 0.00 WT5 H ATOM 53965 OH2 TIP3 9022 51.464 18.074 35.857 1.00 0.00 WT5 O ATOM 53966 H1 TIP3 9022 50.957 17.263 35.808 1.00 0.00 WT5 H ATOM 53967 H2 TIP3 9022 52.294 17.814 36.255 1.00 0.00 WT5 H ATOM 53968 OH2 TIP3 9029 88.936 37.958 35.104 1.00 0.00 WT5 O ATOM 53969 H1 TIP3 9029 89.510 38.111 34.354 1.00 0.00 WT5 H ATOM 53970 H2 TIP3 9029 88.223 37.422 34.756 1.00 0.00 WT5 H ATOM 53971 OH2 TIP3 9035 60.118 61.348 37.837 1.00 0.00 WT5 O ATOM 53972 H1 TIP3 9035 59.715 61.452 36.975 1.00 0.00 WT5 H ATOM 53973 H2 TIP3 9035 60.085 60.406 38.006 1.00 0.00 WT5 H ATOM 53974 OH2 TIP3 9047 75.477 36.239 41.697 1.00 0.00 WT5 O ATOM 53975 H1 TIP3 9047 75.150 35.719 42.432 1.00 0.00 WT5 H ATOM 53976 H2 TIP3 9047 75.940 36.969 42.107 1.00 0.00 WT5 H ATOM 53977 OH2 TIP3 9049 90.082 62.837 61.126 1.00 0.00 WT5 O ATOM 53978 H1 TIP3 9049 89.294 63.214 61.518 1.00 0.00 WT5 H ATOM 53979 H2 TIP3 9049 90.043 63.102 60.207 1.00 0.00 WT5 H ATOM 53980 OH2 TIP3 9055 40.758 8.730 41.511 1.00 0.00 WT5 O ATOM 53981 H1 TIP3 9055 41.090 9.429 42.074 1.00 0.00 WT5 H ATOM 53982 H2 TIP3 9055 41.543 8.325 41.142 1.00 0.00 WT5 H ATOM 53983 OH2 TIP3 9063 50.261 14.790 -9.667 1.00 0.00 WT5 O ATOM 53984 H1 TIP3 9063 49.610 15.456 -9.447 1.00 0.00 WT5 H ATOM 53985 H2 TIP3 9063 50.609 14.507 -8.821 1.00 0.00 WT5 H ATOM 53986 OH2 TIP3 9064 77.550 83.304 16.629 1.00 0.00 WT5 O ATOM 53987 H1 TIP3 9064 78.036 83.780 17.301 1.00 0.00 WT5 H ATOM 53988 H2 TIP3 9064 78.206 82.750 16.205 1.00 0.00 WT5 H ATOM 53989 OH2 TIP3 9065 34.227 64.080 31.428 1.00 0.00 WT5 O ATOM 53990 H1 TIP3 9065 34.880 63.649 31.979 1.00 0.00 WT5 H ATOM 53991 H2 TIP3 9065 34.381 65.015 31.559 1.00 0.00 WT5 H ATOM 53992 OH2 TIP3 9068 49.089 32.453 -15.733 1.00 0.00 WT5 O ATOM 53993 H1 TIP3 9068 49.977 32.685 -16.004 1.00 0.00 WT5 H ATOM 53994 H2 TIP3 9068 49.158 32.305 -14.790 1.00 0.00 WT5 H ATOM 53995 OH2 TIP3 9073 75.389 54.314 39.609 1.00 0.00 WT5 O ATOM 53996 H1 TIP3 9073 74.487 54.271 39.929 1.00 0.00 WT5 H ATOM 53997 H2 TIP3 9073 75.307 54.272 38.656 1.00 0.00 WT5 H ATOM 53998 OH2 TIP3 9077 36.711 73.440 59.384 1.00 0.00 WT5 O ATOM 53999 H1 TIP3 9077 36.640 73.932 58.566 1.00 0.00 WT5 H ATOM 54000 H2 TIP3 9077 36.872 72.537 59.108 1.00 0.00 WT5 H ATOM 54001 OH2 TIP3 9085 34.678 69.677 44.083 1.00 0.00 WT5 O ATOM 54002 H1 TIP3 9085 34.786 70.435 44.658 1.00 0.00 WT5 H ATOM 54003 H2 TIP3 9085 35.562 69.323 43.985 1.00 0.00 WT5 H ATOM 54004 OH2 TIP3 9091 36.221 23.091 14.068 1.00 0.00 WT5 O ATOM 54005 H1 TIP3 9091 36.798 22.713 14.732 1.00 0.00 WT5 H ATOM 54006 H2 TIP3 9091 36.800 23.620 13.520 1.00 0.00 WT5 H ATOM 54007 OH2 TIP3 9096 31.762 64.110 -16.720 1.00 0.00 WT5 O ATOM 54008 H1 TIP3 9096 31.456 64.537 -17.520 1.00 0.00 WT5 H ATOM 54009 H2 TIP3 9096 32.671 64.394 -16.628 1.00 0.00 WT5 H ATOM 54010 OH2 TIP3 9097 36.868 17.373 7.949 1.00 0.00 WT5 O ATOM 54011 H1 TIP3 9097 37.374 18.179 8.054 1.00 0.00 WT5 H ATOM 54012 H2 TIP3 9097 37.507 16.725 7.653 1.00 0.00 WT5 H ATOM 54013 OH2 TIP3 9102 71.733 50.603 5.682 1.00 0.00 WT5 O ATOM 54014 H1 TIP3 9102 71.863 51.016 6.536 1.00 0.00 WT5 H ATOM 54015 H2 TIP3 9102 70.807 50.361 5.671 1.00 0.00 WT5 H ATOM 54016 OH2 TIP3 9116 34.233 37.039 37.131 1.00 0.00 WT5 O ATOM 54017 H1 TIP3 9116 33.626 36.926 36.399 1.00 0.00 WT5 H ATOM 54018 H2 TIP3 9116 35.028 36.582 36.855 1.00 0.00 WT5 H ATOM 54019 OH2 TIP3 9118 73.374 9.531 62.280 1.00 0.00 WT5 O ATOM 54020 H1 TIP3 9118 73.134 9.091 63.096 1.00 0.00 WT5 H ATOM 54021 H2 TIP3 9118 73.963 10.235 62.553 1.00 0.00 WT5 H ATOM 54022 OH2 TIP3 9124 45.433 33.876 1.919 1.00 0.00 WT5 O ATOM 54023 H1 TIP3 9124 45.754 33.300 2.613 1.00 0.00 WT5 H ATOM 54024 H2 TIP3 9124 44.737 34.386 2.333 1.00 0.00 WT5 H ATOM 54025 OH2 TIP3 9125 51.285 61.305 -18.375 1.00 0.00 WT5 O ATOM 54026 H1 TIP3 9125 52.036 61.005 -17.862 1.00 0.00 WT5 H ATOM 54027 H2 TIP3 9125 51.512 61.091 -19.280 1.00 0.00 WT5 H ATOM 54028 OH2 TIP3 9133 67.720 46.977 32.010 1.00 0.00 WT5 O ATOM 54029 H1 TIP3 9133 66.911 46.501 31.822 1.00 0.00 WT5 H ATOM 54030 H2 TIP3 9133 67.777 47.635 31.316 1.00 0.00 WT5 H ATOM 54031 OH2 TIP3 9143 42.973 63.454 38.393 1.00 0.00 WT5 O ATOM 54032 H1 TIP3 9143 42.637 63.615 39.275 1.00 0.00 WT5 H ATOM 54033 H2 TIP3 9143 43.153 62.515 38.373 1.00 0.00 WT5 H ATOM 54034 OH2 TIP3 9144 79.419 85.682 8.137 1.00 0.00 WT5 O ATOM 54035 H1 TIP3 9144 79.984 85.427 7.408 1.00 0.00 WT5 H ATOM 54036 H2 TIP3 9144 78.676 85.080 8.087 1.00 0.00 WT5 H ATOM 54037 OH2 TIP3 9157 85.831 20.018 -15.426 1.00 0.00 WT5 O ATOM 54038 H1 TIP3 9157 85.427 20.005 -14.558 1.00 0.00 WT5 H ATOM 54039 H2 TIP3 9157 85.104 19.867 -16.031 1.00 0.00 WT5 H ATOM 54040 OH2 TIP3 9158 39.157 11.168 17.389 1.00 0.00 WT5 O ATOM 54041 H1 TIP3 9158 38.695 10.980 16.572 1.00 0.00 WT5 H ATOM 54042 H2 TIP3 9158 39.435 12.079 17.303 1.00 0.00 WT5 H ATOM 54043 OH2 TIP3 9162 80.073 35.300 56.554 1.00 0.00 WT5 O ATOM 54044 H1 TIP3 9162 79.511 34.631 56.163 1.00 0.00 WT5 H ATOM 54045 H2 TIP3 9162 80.495 35.725 55.808 1.00 0.00 WT5 H ATOM 54046 OH2 TIP3 9171 82.378 62.188 2.973 1.00 0.00 WT5 O ATOM 54047 H1 TIP3 9171 81.733 62.526 2.352 1.00 0.00 WT5 H ATOM 54048 H2 TIP3 9171 81.865 61.665 3.590 1.00 0.00 WT5 H ATOM 54049 OH2 TIP3 9178 84.605 37.030 -10.562 1.00 0.00 WT5 O ATOM 54050 H1 TIP3 9178 85.279 37.707 -10.505 1.00 0.00 WT5 H ATOM 54051 H2 TIP3 9178 83.886 37.360 -10.023 1.00 0.00 WT5 H ATOM 54052 OH2 TIP3 9179 86.935 34.188 5.610 1.00 0.00 WT5 O ATOM 54053 H1 TIP3 9179 87.868 34.318 5.782 1.00 0.00 WT5 H ATOM 54054 H2 TIP3 9179 86.497 34.847 6.148 1.00 0.00 WT5 H ATOM 54055 OH2 TIP3 9182 35.179 60.878 29.032 1.00 0.00 WT5 O ATOM 54056 H1 TIP3 9182 35.791 60.320 28.551 1.00 0.00 WT5 H ATOM 54057 H2 TIP3 9182 35.315 61.753 28.668 1.00 0.00 WT5 H ATOM 54058 OH2 TIP3 9183 61.820 72.956 -4.101 1.00 0.00 WT5 O ATOM 54059 H1 TIP3 9183 61.942 72.070 -3.760 1.00 0.00 WT5 H ATOM 54060 H2 TIP3 9183 62.232 73.523 -3.449 1.00 0.00 WT5 H ATOM 54061 OH2 TIP3 9184 69.837 52.062 15.523 1.00 0.00 WT5 O ATOM 54062 H1 TIP3 9184 69.039 52.198 16.034 1.00 0.00 WT5 H ATOM 54063 H2 TIP3 9184 69.531 51.958 14.622 1.00 0.00 WT5 H ATOM 54064 OH2 TIP3 9188 25.747 9.165 34.205 1.00 0.00 WT5 O ATOM 54065 H1 TIP3 9188 25.868 8.253 33.943 1.00 0.00 WT5 H ATOM 54066 H2 TIP3 9188 25.087 9.503 33.599 1.00 0.00 WT5 H ATOM 54067 OH2 TIP3 9198 76.073 23.553 58.563 1.00 0.00 WT5 O ATOM 54068 H1 TIP3 9198 76.709 23.708 59.261 1.00 0.00 WT5 H ATOM 54069 H2 TIP3 9198 76.557 23.727 57.755 1.00 0.00 WT5 H ATOM 54070 OH2 TIP3 9211 31.614 4.255 17.863 1.00 0.00 WT5 O ATOM 54071 H1 TIP3 9211 32.210 4.460 18.583 1.00 0.00 WT5 H ATOM 54072 H2 TIP3 9211 31.949 3.435 17.499 1.00 0.00 WT5 H ATOM 54073 OH2 TIP3 9218 36.133 23.452 -13.078 1.00 0.00 WT5 O ATOM 54074 H1 TIP3 9218 35.306 23.927 -12.998 1.00 0.00 WT5 H ATOM 54075 H2 TIP3 9218 36.782 24.030 -12.678 1.00 0.00 WT5 H ATOM 54076 OH2 TIP3 9223 37.874 81.359 -2.394 1.00 0.00 WT5 O ATOM 54077 H1 TIP3 9223 36.962 81.280 -2.114 1.00 0.00 WT5 H ATOM 54078 H2 TIP3 9223 38.341 80.699 -1.880 1.00 0.00 WT5 H ATOM 54079 OH2 TIP3 9227 35.638 10.294 1.304 1.00 0.00 WT5 O ATOM 54080 H1 TIP3 9227 35.270 11.017 0.796 1.00 0.00 WT5 H ATOM 54081 H2 TIP3 9227 36.486 10.122 0.897 1.00 0.00 WT5 H ATOM 54082 OH2 TIP3 9250 46.910 82.691 11.751 1.00 0.00 WT5 O ATOM 54083 H1 TIP3 9250 47.750 83.020 11.431 1.00 0.00 WT5 H ATOM 54084 H2 TIP3 9250 47.132 81.891 12.228 1.00 0.00 WT5 H ATOM 54085 OH2 TIP3 9254 83.616 42.337 4.735 1.00 0.00 WT5 O ATOM 54086 H1 TIP3 9254 84.005 41.540 4.376 1.00 0.00 WT5 H ATOM 54087 H2 TIP3 9254 83.681 42.229 5.684 1.00 0.00 WT5 H ATOM 54088 OH2 TIP3 2 23.661 52.375 32.868 1.00 0.00 WT6 O ATOM 54089 H1 TIP3 2 22.739 52.570 32.700 1.00 0.00 WT6 H ATOM 54090 H2 TIP3 2 24.137 53.101 32.466 1.00 0.00 WT6 H ATOM 54091 OH2 TIP3 5 67.290 8.002 51.942 1.00 0.00 WT6 O ATOM 54092 H1 TIP3 5 67.959 7.698 51.327 1.00 0.00 WT6 H ATOM 54093 H2 TIP3 5 67.056 8.876 51.629 1.00 0.00 WT6 H ATOM 54094 OH2 TIP3 40 55.256 85.814 61.179 1.00 0.00 WT6 O ATOM 54095 H1 TIP3 40 55.288 85.042 61.744 1.00 0.00 WT6 H ATOM 54096 H2 TIP3 40 54.563 85.621 60.548 1.00 0.00 WT6 H ATOM 54097 OH2 TIP3 44 70.301 90.431 21.115 1.00 0.00 WT6 O ATOM 54098 H1 TIP3 44 70.441 89.615 21.596 1.00 0.00 WT6 H ATOM 54099 H2 TIP3 44 71.171 90.826 21.055 1.00 0.00 WT6 H ATOM 54100 OH2 TIP3 48 30.093 49.128 -0.232 1.00 0.00 WT6 O ATOM 54101 H1 TIP3 48 30.917 49.251 0.239 1.00 0.00 WT6 H ATOM 54102 H2 TIP3 48 30.357 48.844 -1.107 1.00 0.00 WT6 H ATOM 54103 OH2 TIP3 65 35.241 15.523 49.156 1.00 0.00 WT6 O ATOM 54104 H1 TIP3 65 36.083 15.370 48.727 1.00 0.00 WT6 H ATOM 54105 H2 TIP3 65 34.707 15.953 48.489 1.00 0.00 WT6 H ATOM 54106 OH2 TIP3 67 48.497 61.860 12.788 1.00 0.00 WT6 O ATOM 54107 H1 TIP3 67 49.307 62.157 12.374 1.00 0.00 WT6 H ATOM 54108 H2 TIP3 67 48.786 61.368 13.556 1.00 0.00 WT6 H ATOM 54109 OH2 TIP3 87 69.115 40.084 37.216 1.00 0.00 WT6 O ATOM 54110 H1 TIP3 87 69.733 39.789 36.547 1.00 0.00 WT6 H ATOM 54111 H2 TIP3 87 69.159 41.040 37.178 1.00 0.00 WT6 H ATOM 54112 OH2 TIP3 113 56.611 49.182 64.733 1.00 0.00 WT6 O ATOM 54113 H1 TIP3 113 56.241 49.646 63.982 1.00 0.00 WT6 H ATOM 54114 H2 TIP3 113 55.862 49.016 65.306 1.00 0.00 WT6 H ATOM 54115 OH2 TIP3 149 64.659 15.796 -12.550 1.00 0.00 WT6 O ATOM 54116 H1 TIP3 149 65.248 15.734 -11.798 1.00 0.00 WT6 H ATOM 54117 H2 TIP3 149 64.412 16.720 -12.586 1.00 0.00 WT6 H ATOM 54118 OH2 TIP3 150 49.929 33.247 -6.238 1.00 0.00 WT6 O ATOM 54119 H1 TIP3 150 49.527 33.962 -5.745 1.00 0.00 WT6 H ATOM 54120 H2 TIP3 150 49.447 32.466 -5.963 1.00 0.00 WT6 H ATOM 54121 OH2 TIP3 167 88.231 91.619 -8.289 1.00 0.00 WT6 O ATOM 54122 H1 TIP3 167 88.013 91.440 -9.204 1.00 0.00 WT6 H ATOM 54123 H2 TIP3 167 89.163 91.836 -8.303 1.00 0.00 WT6 H ATOM 54124 OH2 TIP3 174 68.309 49.143 51.369 1.00 0.00 WT6 O ATOM 54125 H1 TIP3 174 68.297 50.058 51.089 1.00 0.00 WT6 H ATOM 54126 H2 TIP3 174 67.665 48.712 50.807 1.00 0.00 WT6 H ATOM 54127 OH2 TIP3 175 42.727 29.965 -16.945 1.00 0.00 WT6 O ATOM 54128 H1 TIP3 175 42.481 29.157 -16.495 1.00 0.00 WT6 H ATOM 54129 H2 TIP3 175 41.953 30.199 -17.458 1.00 0.00 WT6 H ATOM 54130 OH2 TIP3 178 21.048 92.552 -13.911 1.00 0.00 WT6 O ATOM 54131 H1 TIP3 178 21.320 93.417 -13.605 1.00 0.00 WT6 H ATOM 54132 H2 TIP3 178 21.868 92.081 -14.059 1.00 0.00 WT6 H ATOM 54133 OH2 TIP3 189 50.920 9.902 32.379 1.00 0.00 WT6 O ATOM 54134 H1 TIP3 189 51.637 10.449 32.700 1.00 0.00 WT6 H ATOM 54135 H2 TIP3 189 50.401 10.486 31.826 1.00 0.00 WT6 H ATOM 54136 OH2 TIP3 191 89.506 42.407 -4.276 1.00 0.00 WT6 O ATOM 54137 H1 TIP3 191 88.632 42.614 -4.607 1.00 0.00 WT6 H ATOM 54138 H2 TIP3 191 89.387 41.601 -3.773 1.00 0.00 WT6 H ATOM 54139 OH2 TIP3 194 21.576 43.063 -16.083 1.00 0.00 WT6 O ATOM 54140 H1 TIP3 194 22.115 42.585 -15.452 1.00 0.00 WT6 H ATOM 54141 H2 TIP3 194 21.233 42.386 -16.666 1.00 0.00 WT6 H ATOM 54142 OH2 TIP3 195 25.593 32.634 -9.598 1.00 0.00 WT6 O ATOM 54143 H1 TIP3 195 26.013 32.933 -10.404 1.00 0.00 WT6 H ATOM 54144 H2 TIP3 195 24.937 32.000 -9.890 1.00 0.00 WT6 H ATOM 54145 OH2 TIP3 196 40.551 7.128 38.325 1.00 0.00 WT6 O ATOM 54146 H1 TIP3 196 40.936 7.779 38.912 1.00 0.00 WT6 H ATOM 54147 H2 TIP3 196 40.353 7.614 37.525 1.00 0.00 WT6 H ATOM 54148 OH2 TIP3 237 75.719 4.076 -8.001 1.00 0.00 WT6 O ATOM 54149 H1 TIP3 237 76.669 3.972 -7.934 1.00 0.00 WT6 H ATOM 54150 H2 TIP3 237 75.362 3.299 -7.570 1.00 0.00 WT6 H ATOM 54151 OH2 TIP3 303 80.716 32.887 -17.394 1.00 0.00 WT6 O ATOM 54152 H1 TIP3 303 81.332 32.264 -17.009 1.00 0.00 WT6 H ATOM 54153 H2 TIP3 303 81.270 33.544 -17.815 1.00 0.00 WT6 H ATOM 54154 OH2 TIP3 338 73.528 8.346 39.119 1.00 0.00 WT6 O ATOM 54155 H1 TIP3 338 73.664 7.403 39.212 1.00 0.00 WT6 H ATOM 54156 H2 TIP3 338 73.115 8.611 39.941 1.00 0.00 WT6 H ATOM 54157 OH2 TIP3 344 84.280 74.437 15.537 1.00 0.00 WT6 O ATOM 54158 H1 TIP3 344 84.945 75.096 15.339 1.00 0.00 WT6 H ATOM 54159 H2 TIP3 344 84.778 73.635 15.699 1.00 0.00 WT6 H ATOM 54160 OH2 TIP3 384 86.306 48.169 27.626 1.00 0.00 WT6 O ATOM 54161 H1 TIP3 384 86.596 48.791 26.959 1.00 0.00 WT6 H ATOM 54162 H2 TIP3 384 85.367 48.329 27.713 1.00 0.00 WT6 H ATOM 54163 OH2 TIP3 401 57.920 15.526 61.563 1.00 0.00 WT6 O ATOM 54164 H1 TIP3 401 57.960 15.671 62.508 1.00 0.00 WT6 H ATOM 54165 H2 TIP3 401 58.647 14.930 61.381 1.00 0.00 WT6 H ATOM 54166 OH2 TIP3 416 28.064 59.259 66.999 1.00 0.00 WT6 O ATOM 54167 H1 TIP3 416 28.478 58.399 66.920 1.00 0.00 WT6 H ATOM 54168 H2 TIP3 416 27.186 59.137 66.636 1.00 0.00 WT6 H ATOM 54169 OH2 TIP3 425 21.317 73.246 46.267 1.00 0.00 WT6 O ATOM 54170 H1 TIP3 425 22.062 73.100 45.684 1.00 0.00 WT6 H ATOM 54171 H2 TIP3 425 20.580 73.406 45.678 1.00 0.00 WT6 H ATOM 54172 OH2 TIP3 460 25.084 37.037 48.180 1.00 0.00 WT6 O ATOM 54173 H1 TIP3 460 25.386 36.147 47.996 1.00 0.00 WT6 H ATOM 54174 H2 TIP3 460 25.820 37.595 47.930 1.00 0.00 WT6 H ATOM 54175 OH2 TIP3 470 79.515 5.288 9.289 1.00 0.00 WT6 O ATOM 54176 H1 TIP3 470 78.875 5.146 9.986 1.00 0.00 WT6 H ATOM 54177 H2 TIP3 470 78.988 5.400 8.498 1.00 0.00 WT6 H ATOM 54178 OH2 TIP3 472 65.998 64.299 -1.026 1.00 0.00 WT6 O ATOM 54179 H1 TIP3 472 66.861 64.132 -1.404 1.00 0.00 WT6 H ATOM 54180 H2 TIP3 472 66.105 65.114 -0.535 1.00 0.00 WT6 H ATOM 54181 OH2 TIP3 485 20.644 95.821 45.809 1.00 0.00 WT6 O ATOM 54182 H1 TIP3 485 19.743 95.929 45.504 1.00 0.00 WT6 H ATOM 54183 H2 TIP3 485 21.126 96.537 45.394 1.00 0.00 WT6 H ATOM 54184 OH2 TIP3 486 42.747 89.774 64.396 1.00 0.00 WT6 O ATOM 54185 H1 TIP3 486 42.710 89.452 63.496 1.00 0.00 WT6 H ATOM 54186 H2 TIP3 486 43.641 89.587 64.681 1.00 0.00 WT6 H ATOM 54187 OH2 TIP3 489 51.299 13.486 24.124 1.00 0.00 WT6 O ATOM 54188 H1 TIP3 489 50.757 14.144 24.559 1.00 0.00 WT6 H ATOM 54189 H2 TIP3 489 52.002 13.303 24.747 1.00 0.00 WT6 H ATOM 54190 OH2 TIP3 503 36.177 73.038 -16.138 1.00 0.00 WT6 O ATOM 54191 H1 TIP3 503 35.738 72.550 -16.834 1.00 0.00 WT6 H ATOM 54192 H2 TIP3 503 35.492 73.200 -15.489 1.00 0.00 WT6 H ATOM 54193 OH2 TIP3 506 30.124 8.341 -2.174 1.00 0.00 WT6 O ATOM 54194 H1 TIP3 506 29.544 9.098 -2.254 1.00 0.00 WT6 H ATOM 54195 H2 TIP3 506 29.867 7.764 -2.893 1.00 0.00 WT6 H ATOM 54196 OH2 TIP3 509 51.553 60.016 -12.310 1.00 0.00 WT6 O ATOM 54197 H1 TIP3 509 51.303 59.960 -11.387 1.00 0.00 WT6 H ATOM 54198 H2 TIP3 509 52.510 60.014 -12.299 1.00 0.00 WT6 H ATOM 54199 OH2 TIP3 511 78.659 60.847 42.277 1.00 0.00 WT6 O ATOM 54200 H1 TIP3 511 78.082 60.851 43.041 1.00 0.00 WT6 H ATOM 54201 H2 TIP3 511 78.589 61.733 41.919 1.00 0.00 WT6 H ATOM 54202 OH2 TIP3 548 30.040 79.886 52.112 1.00 0.00 WT6 O ATOM 54203 H1 TIP3 548 29.144 79.828 51.779 1.00 0.00 WT6 H ATOM 54204 H2 TIP3 548 30.591 79.749 51.342 1.00 0.00 WT6 H ATOM 54205 OH2 TIP3 550 80.605 89.780 55.426 1.00 0.00 WT6 O ATOM 54206 H1 TIP3 550 80.090 89.064 55.053 1.00 0.00 WT6 H ATOM 54207 H2 TIP3 550 81.075 90.152 54.679 1.00 0.00 WT6 H ATOM 54208 OH2 TIP3 551 57.351 39.781 63.278 1.00 0.00 WT6 O ATOM 54209 H1 TIP3 551 56.825 40.021 64.041 1.00 0.00 WT6 H ATOM 54210 H2 TIP3 551 57.082 40.398 62.598 1.00 0.00 WT6 H ATOM 54211 OH2 TIP3 562 73.093 43.213 45.758 1.00 0.00 WT6 O ATOM 54212 H1 TIP3 562 73.087 42.527 46.425 1.00 0.00 WT6 H ATOM 54213 H2 TIP3 562 73.776 42.944 45.143 1.00 0.00 WT6 H ATOM 54214 OH2 TIP3 570 36.627 19.124 55.506 1.00 0.00 WT6 O ATOM 54215 H1 TIP3 570 36.286 19.552 56.291 1.00 0.00 WT6 H ATOM 54216 H2 TIP3 570 36.764 19.839 54.884 1.00 0.00 WT6 H ATOM 54217 OH2 TIP3 573 77.109 55.058 65.951 1.00 0.00 WT6 O ATOM 54218 H1 TIP3 573 77.484 55.152 66.826 1.00 0.00 WT6 H ATOM 54219 H2 TIP3 573 76.770 54.163 65.930 1.00 0.00 WT6 H ATOM 54220 OH2 TIP3 575 30.375 88.061 43.926 1.00 0.00 WT6 O ATOM 54221 H1 TIP3 575 30.557 87.203 44.309 1.00 0.00 WT6 H ATOM 54222 H2 TIP3 575 29.445 88.031 43.701 1.00 0.00 WT6 H ATOM 54223 OH2 TIP3 584 61.729 88.831 47.650 1.00 0.00 WT6 O ATOM 54224 H1 TIP3 584 62.417 89.245 47.129 1.00 0.00 WT6 H ATOM 54225 H2 TIP3 584 62.032 87.932 47.776 1.00 0.00 WT6 H ATOM 54226 OH2 TIP3 591 73.681 28.400 26.463 1.00 0.00 WT6 O ATOM 54227 H1 TIP3 591 73.974 27.501 26.612 1.00 0.00 WT6 H ATOM 54228 H2 TIP3 591 74.488 28.910 26.411 1.00 0.00 WT6 H ATOM 54229 OH2 TIP3 593 46.384 23.508 37.169 1.00 0.00 WT6 O ATOM 54230 H1 TIP3 593 47.144 23.678 36.612 1.00 0.00 WT6 H ATOM 54231 H2 TIP3 593 46.518 24.069 37.933 1.00 0.00 WT6 H ATOM 54232 OH2 TIP3 594 37.859 14.186 56.329 1.00 0.00 WT6 O ATOM 54233 H1 TIP3 594 37.715 15.115 56.511 1.00 0.00 WT6 H ATOM 54234 H2 TIP3 594 38.570 14.175 55.690 1.00 0.00 WT6 H ATOM 54235 OH2 TIP3 616 70.455 15.832 46.200 1.00 0.00 WT6 O ATOM 54236 H1 TIP3 616 71.149 16.420 45.903 1.00 0.00 WT6 H ATOM 54237 H2 TIP3 616 69.733 16.413 46.439 1.00 0.00 WT6 H ATOM 54238 OH2 TIP3 638 57.738 53.330 60.486 1.00 0.00 WT6 O ATOM 54239 H1 TIP3 638 56.954 53.197 59.952 1.00 0.00 WT6 H ATOM 54240 H2 TIP3 638 58.395 52.755 60.094 1.00 0.00 WT6 H ATOM 54241 OH2 TIP3 677 21.705 65.777 3.184 1.00 0.00 WT6 O ATOM 54242 H1 TIP3 677 22.521 65.462 3.573 1.00 0.00 WT6 H ATOM 54243 H2 TIP3 677 21.886 65.816 2.245 1.00 0.00 WT6 H ATOM 54244 OH2 TIP3 715 63.639 90.902 52.311 1.00 0.00 WT6 O ATOM 54245 H1 TIP3 715 63.530 90.447 53.146 1.00 0.00 WT6 H ATOM 54246 H2 TIP3 715 64.043 90.253 51.735 1.00 0.00 WT6 H ATOM 54247 OH2 TIP3 717 37.284 3.459 33.649 1.00 0.00 WT6 O ATOM 54248 H1 TIP3 717 36.447 3.727 33.271 1.00 0.00 WT6 H ATOM 54249 H2 TIP3 717 37.382 2.543 33.389 1.00 0.00 WT6 H ATOM 54250 OH2 TIP3 721 65.576 42.079 48.855 1.00 0.00 WT6 O ATOM 54251 H1 TIP3 721 64.702 42.413 49.061 1.00 0.00 WT6 H ATOM 54252 H2 TIP3 721 65.417 41.237 48.428 1.00 0.00 WT6 H ATOM 54253 OH2 TIP3 738 63.956 38.710 2.369 1.00 0.00 WT6 O ATOM 54254 H1 TIP3 738 63.186 39.055 1.916 1.00 0.00 WT6 H ATOM 54255 H2 TIP3 738 63.646 38.516 3.254 1.00 0.00 WT6 H ATOM 54256 OH2 TIP3 746 88.432 49.845 -16.291 1.00 0.00 WT6 O ATOM 54257 H1 TIP3 746 89.057 49.170 -16.027 1.00 0.00 WT6 H ATOM 54258 H2 TIP3 746 88.780 50.186 -17.115 1.00 0.00 WT6 H ATOM 54259 OH2 TIP3 766 38.662 29.988 -1.884 1.00 0.00 WT6 O ATOM 54260 H1 TIP3 766 39.088 29.141 -1.753 1.00 0.00 WT6 H ATOM 54261 H2 TIP3 766 37.848 29.779 -2.342 1.00 0.00 WT6 H ATOM 54262 OH2 TIP3 778 23.491 15.033 -19.621 1.00 0.00 WT6 O ATOM 54263 H1 TIP3 778 22.766 14.883 -19.015 1.00 0.00 WT6 H ATOM 54264 H2 TIP3 778 23.394 15.947 -19.890 1.00 0.00 WT6 H ATOM 54265 OH2 TIP3 779 42.466 95.154 -8.890 1.00 0.00 WT6 O ATOM 54266 H1 TIP3 779 43.156 95.560 -8.367 1.00 0.00 WT6 H ATOM 54267 H2 TIP3 779 42.297 94.317 -8.458 1.00 0.00 WT6 H ATOM 54268 OH2 TIP3 807 80.747 50.174 52.994 1.00 0.00 WT6 O ATOM 54269 H1 TIP3 807 81.105 50.962 52.586 1.00 0.00 WT6 H ATOM 54270 H2 TIP3 807 80.389 49.668 52.265 1.00 0.00 WT6 H ATOM 54271 OH2 TIP3 822 51.793 78.826 -17.600 1.00 0.00 WT6 O ATOM 54272 H1 TIP3 822 51.278 79.272 -16.927 1.00 0.00 WT6 H ATOM 54273 H2 TIP3 822 52.006 77.976 -17.216 1.00 0.00 WT6 H ATOM 54274 OH2 TIP3 824 53.248 39.828 62.097 1.00 0.00 WT6 O ATOM 54275 H1 TIP3 824 52.566 40.322 61.642 1.00 0.00 WT6 H ATOM 54276 H2 TIP3 824 53.697 40.479 62.636 1.00 0.00 WT6 H ATOM 54277 OH2 TIP3 843 84.791 73.479 57.847 1.00 0.00 WT6 O ATOM 54278 H1 TIP3 843 85.252 74.318 57.806 1.00 0.00 WT6 H ATOM 54279 H2 TIP3 843 84.984 73.059 57.009 1.00 0.00 WT6 H ATOM 54280 OH2 TIP3 846 85.031 94.829 -3.140 1.00 0.00 WT6 O ATOM 54281 H1 TIP3 846 84.218 94.531 -2.732 1.00 0.00 WT6 H ATOM 54282 H2 TIP3 846 85.546 94.031 -3.260 1.00 0.00 WT6 H ATOM 54283 OH2 TIP3 892 31.618 15.163 -18.229 1.00 0.00 WT6 O ATOM 54284 H1 TIP3 892 31.271 14.724 -19.006 1.00 0.00 WT6 H ATOM 54285 H2 TIP3 892 31.569 16.096 -18.438 1.00 0.00 WT6 H ATOM 54286 OH2 TIP3 908 87.502 9.137 51.239 1.00 0.00 WT6 O ATOM 54287 H1 TIP3 908 86.696 9.463 51.639 1.00 0.00 WT6 H ATOM 54288 H2 TIP3 908 87.504 9.514 50.360 1.00 0.00 WT6 H ATOM 54289 OH2 TIP3 928 78.225 29.385 45.601 1.00 0.00 WT6 O ATOM 54290 H1 TIP3 928 78.241 29.106 44.686 1.00 0.00 WT6 H ATOM 54291 H2 TIP3 928 78.768 30.173 45.622 1.00 0.00 WT6 H ATOM 54292 OH2 TIP3 930 70.350 81.746 -4.040 1.00 0.00 WT6 O ATOM 54293 H1 TIP3 930 70.784 81.042 -3.558 1.00 0.00 WT6 H ATOM 54294 H2 TIP3 930 69.882 81.300 -4.746 1.00 0.00 WT6 H ATOM 54295 OH2 TIP3 969 63.093 27.239 -10.419 1.00 0.00 WT6 O ATOM 54296 H1 TIP3 969 63.851 27.740 -10.719 1.00 0.00 WT6 H ATOM 54297 H2 TIP3 969 62.355 27.606 -10.906 1.00 0.00 WT6 H ATOM 54298 OH2 TIP3 987 54.635 10.160 -12.013 1.00 0.00 WT6 O ATOM 54299 H1 TIP3 987 54.828 10.638 -12.820 1.00 0.00 WT6 H ATOM 54300 H2 TIP3 987 55.109 9.334 -12.104 1.00 0.00 WT6 H ATOM 54301 OH2 TIP3 1013 26.110 3.276 54.988 1.00 0.00 WT6 O ATOM 54302 H1 TIP3 1013 25.795 2.676 54.311 1.00 0.00 WT6 H ATOM 54303 H2 TIP3 1013 27.057 3.311 54.856 1.00 0.00 WT6 H ATOM 54304 OH2 TIP3 1018 74.488 12.183 6.417 1.00 0.00 WT6 O ATOM 54305 H1 TIP3 1018 73.586 12.482 6.538 1.00 0.00 WT6 H ATOM 54306 H2 TIP3 1018 74.549 11.386 6.943 1.00 0.00 WT6 H ATOM 54307 OH2 TIP3 1076 70.973 40.632 14.778 1.00 0.00 WT6 O ATOM 54308 H1 TIP3 1076 70.261 41.251 14.617 1.00 0.00 WT6 H ATOM 54309 H2 TIP3 1076 71.407 40.539 13.930 1.00 0.00 WT6 H ATOM 54310 OH2 TIP3 1077 72.566 47.131 57.639 1.00 0.00 WT6 O ATOM 54311 H1 TIP3 1077 71.770 47.020 57.119 1.00 0.00 WT6 H ATOM 54312 H2 TIP3 1077 72.749 48.070 57.602 1.00 0.00 WT6 H ATOM 54313 OH2 TIP3 1098 32.955 13.392 -11.287 1.00 0.00 WT6 O ATOM 54314 H1 TIP3 1098 33.462 12.787 -10.745 1.00 0.00 WT6 H ATOM 54315 H2 TIP3 1098 32.339 13.801 -10.679 1.00 0.00 WT6 H ATOM 54316 OH2 TIP3 1122 45.348 17.121 59.511 1.00 0.00 WT6 O ATOM 54317 H1 TIP3 1122 45.092 18.044 59.485 1.00 0.00 WT6 H ATOM 54318 H2 TIP3 1122 45.555 16.955 60.430 1.00 0.00 WT6 H ATOM 54319 OH2 TIP3 1138 50.255 85.175 53.097 1.00 0.00 WT6 O ATOM 54320 H1 TIP3 1138 50.332 84.475 52.449 1.00 0.00 WT6 H ATOM 54321 H2 TIP3 1138 49.736 84.791 53.804 1.00 0.00 WT6 H ATOM 54322 OH2 TIP3 1163 53.933 24.542 36.135 1.00 0.00 WT6 O ATOM 54323 H1 TIP3 1163 53.852 24.587 35.183 1.00 0.00 WT6 H ATOM 54324 H2 TIP3 1163 54.750 25.001 36.329 1.00 0.00 WT6 H ATOM 54325 OH2 TIP3 1240 57.440 55.109 -0.973 1.00 0.00 WT6 O ATOM 54326 H1 TIP3 1240 57.366 54.310 -0.451 1.00 0.00 WT6 H ATOM 54327 H2 TIP3 1240 57.411 55.819 -0.332 1.00 0.00 WT6 H ATOM 54328 OH2 TIP3 1258 81.692 73.216 54.816 1.00 0.00 WT6 O ATOM 54329 H1 TIP3 1258 82.155 74.007 55.092 1.00 0.00 WT6 H ATOM 54330 H2 TIP3 1258 81.163 73.496 54.069 1.00 0.00 WT6 H ATOM 54331 OH2 TIP3 1281 52.990 73.912 -15.260 1.00 0.00 WT6 O ATOM 54332 H1 TIP3 1281 53.217 74.493 -14.533 1.00 0.00 WT6 H ATOM 54333 H2 TIP3 1281 52.910 73.046 -14.859 1.00 0.00 WT6 H ATOM 54334 OH2 TIP3 1285 81.989 73.589 30.404 1.00 0.00 WT6 O ATOM 54335 H1 TIP3 1285 81.541 72.744 30.403 1.00 0.00 WT6 H ATOM 54336 H2 TIP3 1285 81.309 74.220 30.643 1.00 0.00 WT6 H ATOM 54337 OH2 TIP3 1301 69.324 5.139 61.143 1.00 0.00 WT6 O ATOM 54338 H1 TIP3 1301 68.376 5.190 61.026 1.00 0.00 WT6 H ATOM 54339 H2 TIP3 1301 69.681 5.236 60.260 1.00 0.00 WT6 H ATOM 54340 OH2 TIP3 1303 34.088 27.624 -9.996 1.00 0.00 WT6 O ATOM 54341 H1 TIP3 1303 33.200 27.515 -9.655 1.00 0.00 WT6 H ATOM 54342 H2 TIP3 1303 34.274 26.802 -10.450 1.00 0.00 WT6 H ATOM 54343 OH2 TIP3 1345 37.752 18.516 4.627 1.00 0.00 WT6 O ATOM 54344 H1 TIP3 1345 37.522 18.957 3.809 1.00 0.00 WT6 H ATOM 54345 H2 TIP3 1345 38.406 19.087 5.031 1.00 0.00 WT6 H ATOM 54346 OH2 TIP3 1354 33.064 78.624 22.821 1.00 0.00 WT6 O ATOM 54347 H1 TIP3 1354 33.374 79.271 23.455 1.00 0.00 WT6 H ATOM 54348 H2 TIP3 1354 32.550 78.006 23.342 1.00 0.00 WT6 H ATOM 54349 OH2 TIP3 1370 71.856 51.505 54.399 1.00 0.00 WT6 O ATOM 54350 H1 TIP3 1370 71.660 52.379 54.735 1.00 0.00 WT6 H ATOM 54351 H2 TIP3 1370 71.152 50.953 54.740 1.00 0.00 WT6 H ATOM 54352 OH2 TIP3 1373 81.294 5.324 37.866 1.00 0.00 WT6 O ATOM 54353 H1 TIP3 1373 81.316 5.692 38.750 1.00 0.00 WT6 H ATOM 54354 H2 TIP3 1373 82.058 4.749 37.827 1.00 0.00 WT6 H ATOM 54355 OH2 TIP3 1387 21.519 72.844 65.736 1.00 0.00 WT6 O ATOM 54356 H1 TIP3 1387 21.722 72.806 66.671 1.00 0.00 WT6 H ATOM 54357 H2 TIP3 1387 20.770 73.437 65.677 1.00 0.00 WT6 H ATOM 54358 OH2 TIP3 1408 80.273 79.153 44.522 1.00 0.00 WT6 O ATOM 54359 H1 TIP3 1408 79.778 78.338 44.605 1.00 0.00 WT6 H ATOM 54360 H2 TIP3 1408 80.748 79.061 43.696 1.00 0.00 WT6 H ATOM 54361 OH2 TIP3 1414 21.002 65.063 56.751 1.00 0.00 WT6 O ATOM 54362 H1 TIP3 1414 21.473 65.142 55.921 1.00 0.00 WT6 H ATOM 54363 H2 TIP3 1414 21.614 64.612 57.332 1.00 0.00 WT6 H ATOM 54364 OH2 TIP3 1429 89.443 81.180 26.542 1.00 0.00 WT6 O ATOM 54365 H1 TIP3 1429 89.192 81.871 25.929 1.00 0.00 WT6 H ATOM 54366 H2 TIP3 1429 90.315 81.433 26.845 1.00 0.00 WT6 H ATOM 54367 OH2 TIP3 1433 37.003 60.647 54.147 1.00 0.00 WT6 O ATOM 54368 H1 TIP3 1433 36.791 61.560 54.341 1.00 0.00 WT6 H ATOM 54369 H2 TIP3 1433 36.421 60.414 53.424 1.00 0.00 WT6 H ATOM 54370 OH2 TIP3 1440 61.925 68.646 -16.990 1.00 0.00 WT6 O ATOM 54371 H1 TIP3 1440 61.198 68.299 -16.472 1.00 0.00 WT6 H ATOM 54372 H2 TIP3 1440 62.571 68.924 -16.340 1.00 0.00 WT6 H ATOM 54373 OH2 TIP3 1451 72.477 40.222 59.532 1.00 0.00 WT6 O ATOM 54374 H1 TIP3 1451 72.313 40.953 58.936 1.00 0.00 WT6 H ATOM 54375 H2 TIP3 1451 71.704 39.665 59.447 1.00 0.00 WT6 H ATOM 54376 OH2 TIP3 1466 72.013 10.752 -14.889 1.00 0.00 WT6 O ATOM 54377 H1 TIP3 1466 71.205 10.438 -14.483 1.00 0.00 WT6 H ATOM 54378 H2 TIP3 1466 72.002 11.698 -14.746 1.00 0.00 WT6 H ATOM 54379 OH2 TIP3 1477 90.514 75.405 44.342 1.00 0.00 WT6 O ATOM 54380 H1 TIP3 1477 89.829 74.743 44.247 1.00 0.00 WT6 H ATOM 54381 H2 TIP3 1477 91.140 75.203 43.647 1.00 0.00 WT6 H ATOM 54382 OH2 TIP3 1480 53.863 9.877 -1.925 1.00 0.00 WT6 O ATOM 54383 H1 TIP3 1480 54.313 9.046 -2.076 1.00 0.00 WT6 H ATOM 54384 H2 TIP3 1480 54.130 10.139 -1.044 1.00 0.00 WT6 H ATOM 54385 OH2 TIP3 1492 20.227 59.183 -7.378 1.00 0.00 WT6 O ATOM 54386 H1 TIP3 1492 20.688 58.710 -8.071 1.00 0.00 WT6 H ATOM 54387 H2 TIP3 1492 20.684 58.935 -6.574 1.00 0.00 WT6 H ATOM 54388 OH2 TIP3 1573 70.243 89.906 25.984 1.00 0.00 WT6 O ATOM 54389 H1 TIP3 1573 69.292 89.964 26.077 1.00 0.00 WT6 H ATOM 54390 H2 TIP3 1573 70.430 88.967 26.012 1.00 0.00 WT6 H ATOM 54391 OH2 TIP3 1599 58.885 57.146 -14.570 1.00 0.00 WT6 O ATOM 54392 H1 TIP3 1599 58.389 57.182 -13.753 1.00 0.00 WT6 H ATOM 54393 H2 TIP3 1599 59.004 56.211 -14.738 1.00 0.00 WT6 H ATOM 54394 OH2 TIP3 1618 57.769 35.521 65.822 1.00 0.00 WT6 O ATOM 54395 H1 TIP3 1618 57.460 36.204 65.226 1.00 0.00 WT6 H ATOM 54396 H2 TIP3 1618 57.693 35.911 66.693 1.00 0.00 WT6 H ATOM 54397 OH2 TIP3 1624 43.105 72.541 48.332 1.00 0.00 WT6 O ATOM 54398 H1 TIP3 1624 42.191 72.535 48.047 1.00 0.00 WT6 H ATOM 54399 H2 TIP3 1624 43.405 71.642 48.194 1.00 0.00 WT6 H ATOM 54400 OH2 TIP3 1625 67.041 87.233 6.231 1.00 0.00 WT6 O ATOM 54401 H1 TIP3 1625 66.390 87.913 6.057 1.00 0.00 WT6 H ATOM 54402 H2 TIP3 1625 66.582 86.412 6.054 1.00 0.00 WT6 H ATOM 54403 OH2 TIP3 1648 78.066 48.957 53.967 1.00 0.00 WT6 O ATOM 54404 H1 TIP3 1648 77.746 49.567 54.632 1.00 0.00 WT6 H ATOM 54405 H2 TIP3 1648 77.774 49.334 53.137 1.00 0.00 WT6 H ATOM 54406 OH2 TIP3 1656 37.009 40.819 6.999 1.00 0.00 WT6 O ATOM 54407 H1 TIP3 1656 37.343 39.922 7.030 1.00 0.00 WT6 H ATOM 54408 H2 TIP3 1656 37.671 41.337 7.458 1.00 0.00 WT6 H ATOM 54409 OH2 TIP3 1664 52.087 29.802 64.561 1.00 0.00 WT6 O ATOM 54410 H1 TIP3 1664 51.289 30.241 64.856 1.00 0.00 WT6 H ATOM 54411 H2 TIP3 1664 52.330 30.261 63.757 1.00 0.00 WT6 H ATOM 54412 OH2 TIP3 1691 21.839 96.721 4.053 1.00 0.00 WT6 O ATOM 54413 H1 TIP3 1691 22.614 96.159 4.051 1.00 0.00 WT6 H ATOM 54414 H2 TIP3 1691 21.181 96.224 3.566 1.00 0.00 WT6 H ATOM 54415 OH2 TIP3 1706 25.409 48.082 19.067 1.00 0.00 WT6 O ATOM 54416 H1 TIP3 1706 25.833 48.470 19.833 1.00 0.00 WT6 H ATOM 54417 H2 TIP3 1706 24.818 48.764 18.748 1.00 0.00 WT6 H ATOM 54418 OH2 TIP3 1725 65.670 3.988 27.967 1.00 0.00 WT6 O ATOM 54419 H1 TIP3 1725 66.260 3.673 27.281 1.00 0.00 WT6 H ATOM 54420 H2 TIP3 1725 65.869 3.438 28.725 1.00 0.00 WT6 H ATOM 54421 OH2 TIP3 1733 44.611 77.055 63.865 1.00 0.00 WT6 O ATOM 54422 H1 TIP3 1733 44.649 77.358 62.958 1.00 0.00 WT6 H ATOM 54423 H2 TIP3 1733 44.980 76.172 63.840 1.00 0.00 WT6 H ATOM 54424 OH2 TIP3 1751 44.603 19.819 40.411 1.00 0.00 WT6 O ATOM 54425 H1 TIP3 1751 44.809 20.685 40.058 1.00 0.00 WT6 H ATOM 54426 H2 TIP3 1751 43.683 19.878 40.670 1.00 0.00 WT6 H ATOM 54427 OH2 TIP3 1769 53.518 69.399 27.187 1.00 0.00 WT6 O ATOM 54428 H1 TIP3 1769 53.287 68.481 27.325 1.00 0.00 WT6 H ATOM 54429 H2 TIP3 1769 53.253 69.580 26.285 1.00 0.00 WT6 H ATOM 54430 OH2 TIP3 1771 27.128 89.400 30.128 1.00 0.00 WT6 O ATOM 54431 H1 TIP3 1771 26.430 89.342 29.476 1.00 0.00 WT6 H ATOM 54432 H2 TIP3 1771 27.901 89.662 29.629 1.00 0.00 WT6 H ATOM 54433 OH2 TIP3 1849 56.201 18.948 26.764 1.00 0.00 WT6 O ATOM 54434 H1 TIP3 1849 56.631 19.782 26.577 1.00 0.00 WT6 H ATOM 54435 H2 TIP3 1849 56.050 18.558 25.903 1.00 0.00 WT6 H ATOM 54436 OH2 TIP3 1853 68.696 66.118 15.561 1.00 0.00 WT6 O ATOM 54437 H1 TIP3 1853 68.443 65.955 14.653 1.00 0.00 WT6 H ATOM 54438 H2 TIP3 1853 68.858 65.247 15.925 1.00 0.00 WT6 H ATOM 54439 OH2 TIP3 1892 57.074 48.852 -7.243 1.00 0.00 WT6 O ATOM 54440 H1 TIP3 1892 56.719 47.977 -7.089 1.00 0.00 WT6 H ATOM 54441 H2 TIP3 1892 56.388 49.307 -7.732 1.00 0.00 WT6 H ATOM 54442 OH2 TIP3 1897 40.952 37.838 19.451 1.00 0.00 WT6 O ATOM 54443 H1 TIP3 1897 41.529 37.311 20.003 1.00 0.00 WT6 H ATOM 54444 H2 TIP3 1897 40.916 37.364 18.620 1.00 0.00 WT6 H ATOM 54445 OH2 TIP3 1918 35.642 28.845 58.731 1.00 0.00 WT6 O ATOM 54446 H1 TIP3 1918 36.020 29.115 59.568 1.00 0.00 WT6 H ATOM 54447 H2 TIP3 1918 35.402 29.666 58.300 1.00 0.00 WT6 H ATOM 54448 OH2 TIP3 1978 64.755 44.269 64.281 1.00 0.00 WT6 O ATOM 54449 H1 TIP3 1978 64.991 44.730 65.086 1.00 0.00 WT6 H ATOM 54450 H2 TIP3 1978 64.357 43.452 64.581 1.00 0.00 WT6 H ATOM 54451 OH2 TIP3 2000 45.043 28.361 -16.546 1.00 0.00 WT6 O ATOM 54452 H1 TIP3 2000 45.777 28.727 -16.052 1.00 0.00 WT6 H ATOM 54453 H2 TIP3 2000 44.399 29.068 -16.577 1.00 0.00 WT6 H ATOM 54454 OH2 TIP3 2022 24.216 42.969 33.804 1.00 0.00 WT6 O ATOM 54455 H1 TIP3 2022 24.521 43.610 33.162 1.00 0.00 WT6 H ATOM 54456 H2 TIP3 2022 23.285 43.164 33.914 1.00 0.00 WT6 H ATOM 54457 OH2 TIP3 2083 28.373 82.604 16.069 1.00 0.00 WT6 O ATOM 54458 H1 TIP3 2083 29.206 83.074 16.109 1.00 0.00 WT6 H ATOM 54459 H2 TIP3 2083 28.369 82.056 16.855 1.00 0.00 WT6 H ATOM 54460 OH2 TIP3 2085 41.718 31.562 -5.609 1.00 0.00 WT6 O ATOM 54461 H1 TIP3 2085 40.913 32.017 -5.855 1.00 0.00 WT6 H ATOM 54462 H2 TIP3 2085 41.570 31.284 -4.705 1.00 0.00 WT6 H ATOM 54463 OH2 TIP3 2108 21.405 31.957 62.711 1.00 0.00 WT6 O ATOM 54464 H1 TIP3 2108 20.913 32.161 63.507 1.00 0.00 WT6 H ATOM 54465 H2 TIP3 2108 21.351 31.004 62.633 1.00 0.00 WT6 H ATOM 54466 OH2 TIP3 2150 25.274 82.044 38.171 1.00 0.00 WT6 O ATOM 54467 H1 TIP3 2150 25.065 82.217 37.253 1.00 0.00 WT6 H ATOM 54468 H2 TIP3 2150 24.786 81.249 38.383 1.00 0.00 WT6 H ATOM 54469 OH2 TIP3 2183 63.843 94.075 3.580 1.00 0.00 WT6 O ATOM 54470 H1 TIP3 2183 63.884 93.758 4.483 1.00 0.00 WT6 H ATOM 54471 H2 TIP3 2183 63.659 93.293 3.060 1.00 0.00 WT6 H ATOM 54472 OH2 TIP3 2190 25.332 67.399 2.607 1.00 0.00 WT6 O ATOM 54473 H1 TIP3 2190 24.665 68.015 2.304 1.00 0.00 WT6 H ATOM 54474 H2 TIP3 2190 25.883 67.914 3.197 1.00 0.00 WT6 H ATOM 54475 OH2 TIP3 2231 45.414 79.087 57.045 1.00 0.00 WT6 O ATOM 54476 H1 TIP3 2231 45.254 79.346 56.137 1.00 0.00 WT6 H ATOM 54477 H2 TIP3 2231 46.298 78.720 57.037 1.00 0.00 WT6 H ATOM 54478 OH2 TIP3 2270 38.481 17.491 -2.472 1.00 0.00 WT6 O ATOM 54479 H1 TIP3 2270 39.151 17.981 -1.996 1.00 0.00 WT6 H ATOM 54480 H2 TIP3 2270 37.969 18.161 -2.925 1.00 0.00 WT6 H ATOM 54481 OH2 TIP3 2288 48.326 45.855 6.964 1.00 0.00 WT6 O ATOM 54482 H1 TIP3 2288 48.519 45.099 6.410 1.00 0.00 WT6 H ATOM 54483 H2 TIP3 2288 49.168 46.090 7.353 1.00 0.00 WT6 H ATOM 54484 OH2 TIP3 2290 65.116 53.889 56.959 1.00 0.00 WT6 O ATOM 54485 H1 TIP3 2290 65.188 54.223 56.065 1.00 0.00 WT6 H ATOM 54486 H2 TIP3 2290 64.694 54.597 57.446 1.00 0.00 WT6 H ATOM 54487 OH2 TIP3 2293 45.908 9.078 22.612 1.00 0.00 WT6 O ATOM 54488 H1 TIP3 2293 46.113 8.556 21.836 1.00 0.00 WT6 H ATOM 54489 H2 TIP3 2293 46.105 8.499 23.348 1.00 0.00 WT6 H ATOM 54490 OH2 TIP3 2317 74.510 39.793 64.494 1.00 0.00 WT6 O ATOM 54491 H1 TIP3 2317 75.002 40.430 65.011 1.00 0.00 WT6 H ATOM 54492 H2 TIP3 2317 73.599 39.922 64.757 1.00 0.00 WT6 H ATOM 54493 OH2 TIP3 2357 90.472 32.398 56.215 1.00 0.00 WT6 O ATOM 54494 H1 TIP3 2357 91.153 32.577 55.566 1.00 0.00 WT6 H ATOM 54495 H2 TIP3 2357 89.853 31.826 55.761 1.00 0.00 WT6 H ATOM 54496 OH2 TIP3 2358 22.590 2.371 56.729 1.00 0.00 WT6 O ATOM 54497 H1 TIP3 2358 22.643 1.584 56.186 1.00 0.00 WT6 H ATOM 54498 H2 TIP3 2358 23.189 2.201 57.456 1.00 0.00 WT6 H ATOM 54499 OH2 TIP3 2500 35.226 33.655 42.279 1.00 0.00 WT6 O ATOM 54500 H1 TIP3 2500 34.331 33.859 42.548 1.00 0.00 WT6 H ATOM 54501 H2 TIP3 2500 35.186 33.617 41.323 1.00 0.00 WT6 H ATOM 54502 OH2 TIP3 2521 44.920 95.339 41.993 1.00 0.00 WT6 O ATOM 54503 H1 TIP3 2521 44.966 94.448 42.341 1.00 0.00 WT6 H ATOM 54504 H2 TIP3 2521 45.675 95.409 41.410 1.00 0.00 WT6 H ATOM 54505 OH2 TIP3 2524 26.841 56.376 -14.533 1.00 0.00 WT6 O ATOM 54506 H1 TIP3 2524 26.473 56.549 -15.399 1.00 0.00 WT6 H ATOM 54507 H2 TIP3 2524 26.465 55.534 -14.276 1.00 0.00 WT6 H ATOM 54508 OH2 TIP3 2525 84.257 53.101 41.572 1.00 0.00 WT6 O ATOM 54509 H1 TIP3 2525 85.213 53.139 41.552 1.00 0.00 WT6 H ATOM 54510 H2 TIP3 2525 83.984 53.481 40.737 1.00 0.00 WT6 H ATOM 54511 OH2 TIP3 2570 28.348 41.475 50.309 1.00 0.00 WT6 O ATOM 54512 H1 TIP3 2570 28.158 40.555 50.490 1.00 0.00 WT6 H ATOM 54513 H2 TIP3 2570 27.735 41.715 49.614 1.00 0.00 WT6 H ATOM 54514 OH2 TIP3 2714 35.708 14.708 -4.429 1.00 0.00 WT6 O ATOM 54515 H1 TIP3 2714 36.497 14.684 -3.887 1.00 0.00 WT6 H ATOM 54516 H2 TIP3 2714 35.410 13.799 -4.459 1.00 0.00 WT6 H ATOM 54517 OH2 TIP3 2781 62.091 71.799 66.684 1.00 0.00 WT6 O ATOM 54518 H1 TIP3 2781 62.815 71.673 67.298 1.00 0.00 WT6 H ATOM 54519 H2 TIP3 2781 62.086 72.740 66.509 1.00 0.00 WT6 H ATOM 54520 OH2 TIP3 2802 30.926 54.776 31.154 1.00 0.00 WT6 O ATOM 54521 H1 TIP3 2802 31.348 55.398 31.747 1.00 0.00 WT6 H ATOM 54522 H2 TIP3 2802 31.583 54.605 30.479 1.00 0.00 WT6 H ATOM 54523 OH2 TIP3 3029 45.086 42.340 41.428 1.00 0.00 WT6 O ATOM 54524 H1 TIP3 3029 45.187 42.136 40.499 1.00 0.00 WT6 H ATOM 54525 H2 TIP3 3029 44.169 42.599 41.519 1.00 0.00 WT6 H ATOM 54526 OH2 TIP3 5421 26.140 26.353 17.303 1.00 0.00 WT6 O ATOM 54527 H1 TIP3 5421 26.338 26.183 18.224 1.00 0.00 WT6 H ATOM 54528 H2 TIP3 5421 26.060 27.305 17.247 1.00 0.00 WT6 H ATOM 54529 OH2 TIP3 6240 44.123 13.074 66.771 1.00 0.00 WT6 O ATOM 54530 H1 TIP3 6240 43.325 12.602 66.530 1.00 0.00 WT6 H ATOM 54531 H2 TIP3 6240 44.809 12.406 66.760 1.00 0.00 WT6 H ATOM 54532 OH2 TIP3 6350 78.342 90.861 14.626 1.00 0.00 WT6 O ATOM 54533 H1 TIP3 6350 77.806 90.496 15.330 1.00 0.00 WT6 H ATOM 54534 H2 TIP3 6350 78.977 90.173 14.426 1.00 0.00 WT6 H ATOM 54535 OH2 TIP3 6671 42.566 96.207 5.960 1.00 0.00 WT6 O ATOM 54536 H1 TIP3 6671 43.504 96.361 5.849 1.00 0.00 WT6 H ATOM 54537 H2 TIP3 6671 42.167 96.578 5.173 1.00 0.00 WT6 H ATOM 54538 OH2 TIP3 6980 45.902 19.845 48.579 1.00 0.00 WT6 O ATOM 54539 H1 TIP3 6980 45.964 19.505 49.472 1.00 0.00 WT6 H ATOM 54540 H2 TIP3 6980 46.241 20.739 48.639 1.00 0.00 WT6 H ATOM 54541 OH2 TIP3 7563 83.253 88.322 59.807 1.00 0.00 WT6 O ATOM 54542 H1 TIP3 7563 84.035 88.147 60.330 1.00 0.00 WT6 H ATOM 54543 H2 TIP3 7563 82.531 87.980 60.335 1.00 0.00 WT6 H ATOM 54544 OH2 TIP3 7583 87.263 91.128 -10.781 1.00 0.00 WT6 O ATOM 54545 H1 TIP3 7583 86.994 91.421 -11.652 1.00 0.00 WT6 H ATOM 54546 H2 TIP3 7583 86.484 91.245 -10.237 1.00 0.00 WT6 H ATOM 54547 OH2 TIP3 7603 76.865 24.602 42.739 1.00 0.00 WT6 O ATOM 54548 H1 TIP3 7603 76.990 24.558 41.791 1.00 0.00 WT6 H ATOM 54549 H2 TIP3 7603 77.692 24.290 43.105 1.00 0.00 WT6 H ATOM 54550 OH2 TIP3 7607 67.791 16.090 13.266 1.00 0.00 WT6 O ATOM 54551 H1 TIP3 7607 67.224 16.400 12.560 1.00 0.00 WT6 H ATOM 54552 H2 TIP3 7607 67.326 16.326 14.069 1.00 0.00 WT6 H ATOM 54553 OH2 TIP3 7630 63.125 22.199 9.658 1.00 0.00 WT6 O ATOM 54554 H1 TIP3 7630 62.238 22.474 9.891 1.00 0.00 WT6 H ATOM 54555 H2 TIP3 7630 63.137 22.211 8.701 1.00 0.00 WT6 H ATOM 54556 OH2 TIP3 7631 42.876 11.201 46.789 1.00 0.00 WT6 O ATOM 54557 H1 TIP3 7631 43.151 11.315 47.699 1.00 0.00 WT6 H ATOM 54558 H2 TIP3 7631 43.495 11.728 46.284 1.00 0.00 WT6 H ATOM 54559 OH2 TIP3 7647 28.728 32.941 15.429 1.00 0.00 WT6 O ATOM 54560 H1 TIP3 7647 28.987 33.363 14.610 1.00 0.00 WT6 H ATOM 54561 H2 TIP3 7647 29.239 33.391 16.102 1.00 0.00 WT6 H ATOM 54562 OH2 TIP3 7650 84.436 70.293 37.562 1.00 0.00 WT6 O ATOM 54563 H1 TIP3 7650 85.200 70.636 38.026 1.00 0.00 WT6 H ATOM 54564 H2 TIP3 7650 84.791 69.615 36.986 1.00 0.00 WT6 H ATOM 54565 OH2 TIP3 7707 70.509 5.032 49.744 1.00 0.00 WT6 O ATOM 54566 H1 TIP3 7707 71.341 5.214 50.181 1.00 0.00 WT6 H ATOM 54567 H2 TIP3 7707 69.989 5.824 49.879 1.00 0.00 WT6 H ATOM 54568 OH2 TIP3 7748 36.089 53.663 40.633 1.00 0.00 WT6 O ATOM 54569 H1 TIP3 7748 35.299 54.008 40.217 1.00 0.00 WT6 H ATOM 54570 H2 TIP3 7748 36.772 53.759 39.969 1.00 0.00 WT6 H ATOM 54571 OH2 TIP3 7833 45.197 32.045 62.350 1.00 0.00 WT6 O ATOM 54572 H1 TIP3 7833 44.371 31.789 61.939 1.00 0.00 WT6 H ATOM 54573 H2 TIP3 7833 45.358 32.934 62.032 1.00 0.00 WT6 H ATOM 54574 OH2 TIP3 7944 36.341 79.017 64.671 1.00 0.00 WT6 O ATOM 54575 H1 TIP3 7944 36.329 79.163 63.726 1.00 0.00 WT6 H ATOM 54576 H2 TIP3 7944 36.483 78.075 64.766 1.00 0.00 WT6 H ATOM 54577 OH2 TIP3 7959 21.365 71.813 4.207 1.00 0.00 WT6 O ATOM 54578 H1 TIP3 7959 20.546 71.330 4.313 1.00 0.00 WT6 H ATOM 54579 H2 TIP3 7959 22.050 71.153 4.314 1.00 0.00 WT6 H ATOM 54580 OH2 TIP3 7979 63.207 92.415 17.967 1.00 0.00 WT6 O ATOM 54581 H1 TIP3 7979 63.056 91.711 18.598 1.00 0.00 WT6 H ATOM 54582 H2 TIP3 7979 63.216 93.213 18.495 1.00 0.00 WT6 H ATOM 54583 OH2 TIP3 7985 69.610 2.108 -3.231 1.00 0.00 WT6 O ATOM 54584 H1 TIP3 7985 70.485 2.037 -3.610 1.00 0.00 WT6 H ATOM 54585 H2 TIP3 7985 69.735 2.616 -2.430 1.00 0.00 WT6 H ATOM 54586 OH2 TIP3 8023 77.430 90.292 24.121 1.00 0.00 WT6 O ATOM 54587 H1 TIP3 8023 76.743 90.912 23.875 1.00 0.00 WT6 H ATOM 54588 H2 TIP3 8023 76.961 89.481 24.320 1.00 0.00 WT6 H ATOM 54589 OH2 TIP3 8024 42.502 38.455 59.883 1.00 0.00 WT6 O ATOM 54590 H1 TIP3 8024 41.573 38.536 59.667 1.00 0.00 WT6 H ATOM 54591 H2 TIP3 8024 42.938 38.358 59.036 1.00 0.00 WT6 H ATOM 54592 OH2 TIP3 8046 58.629 36.878 44.688 1.00 0.00 WT6 O ATOM 54593 H1 TIP3 8046 57.738 36.642 44.427 1.00 0.00 WT6 H ATOM 54594 H2 TIP3 8046 59.115 36.925 43.865 1.00 0.00 WT6 H ATOM 54595 OH2 TIP3 8064 87.004 28.937 -4.468 1.00 0.00 WT6 O ATOM 54596 H1 TIP3 8064 87.387 29.407 -5.209 1.00 0.00 WT6 H ATOM 54597 H2 TIP3 8064 86.890 29.605 -3.793 1.00 0.00 WT6 H ATOM 54598 OH2 TIP3 8067 75.234 19.991 36.828 1.00 0.00 WT6 O ATOM 54599 H1 TIP3 8067 75.155 19.087 37.131 1.00 0.00 WT6 H ATOM 54600 H2 TIP3 8067 74.976 19.959 35.907 1.00 0.00 WT6 H ATOM 54601 OH2 TIP3 8068 69.008 76.638 36.362 1.00 0.00 WT6 O ATOM 54602 H1 TIP3 8068 68.525 77.349 35.941 1.00 0.00 WT6 H ATOM 54603 H2 TIP3 8068 69.929 76.869 36.245 1.00 0.00 WT6 H ATOM 54604 OH2 TIP3 8136 56.225 69.646 41.696 1.00 0.00 WT6 O ATOM 54605 H1 TIP3 8136 55.822 68.814 41.450 1.00 0.00 WT6 H ATOM 54606 H2 TIP3 8136 56.962 69.743 41.093 1.00 0.00 WT6 H ATOM 54607 OH2 TIP3 8173 53.989 27.653 -16.397 1.00 0.00 WT6 O ATOM 54608 H1 TIP3 8173 54.516 28.400 -16.112 1.00 0.00 WT6 H ATOM 54609 H2 TIP3 8173 53.155 28.037 -16.667 1.00 0.00 WT6 H ATOM 54610 OH2 TIP3 8174 23.357 50.468 41.627 1.00 0.00 WT6 O ATOM 54611 H1 TIP3 8174 23.992 49.775 41.448 1.00 0.00 WT6 H ATOM 54612 H2 TIP3 8174 22.504 50.041 41.543 1.00 0.00 WT6 H ATOM 54613 OH2 TIP3 8193 60.801 7.745 64.740 1.00 0.00 WT6 O ATOM 54614 H1 TIP3 8193 60.300 8.005 63.967 1.00 0.00 WT6 H ATOM 54615 H2 TIP3 8193 60.282 8.060 65.480 1.00 0.00 WT6 H ATOM 54616 OH2 TIP3 8218 39.684 56.735 49.669 1.00 0.00 WT6 O ATOM 54617 H1 TIP3 8218 40.319 56.390 49.041 1.00 0.00 WT6 H ATOM 54618 H2 TIP3 8218 39.102 57.284 49.143 1.00 0.00 WT6 H ATOM 54619 OH2 TIP3 8260 78.198 64.974 50.140 1.00 0.00 WT6 O ATOM 54620 H1 TIP3 8260 78.599 64.107 50.076 1.00 0.00 WT6 H ATOM 54621 H2 TIP3 8260 77.271 64.823 49.956 1.00 0.00 WT6 H ATOM 54622 OH2 TIP3 8278 76.997 44.987 14.603 1.00 0.00 WT6 O ATOM 54623 H1 TIP3 8278 76.367 45.494 14.092 1.00 0.00 WT6 H ATOM 54624 H2 TIP3 8278 77.606 45.639 14.949 1.00 0.00 WT6 H ATOM 54625 OH2 TIP3 8383 56.928 26.677 46.586 1.00 0.00 WT6 O ATOM 54626 H1 TIP3 8383 57.200 25.760 46.539 1.00 0.00 WT6 H ATOM 54627 H2 TIP3 8383 57.584 27.149 46.073 1.00 0.00 WT6 H ATOM 54628 OH2 TIP3 8403 30.499 12.382 57.087 1.00 0.00 WT6 O ATOM 54629 H1 TIP3 8403 29.862 13.097 57.071 1.00 0.00 WT6 H ATOM 54630 H2 TIP3 8403 30.621 12.149 56.167 1.00 0.00 WT6 H ATOM 54631 OH2 TIP3 8411 45.173 1.764 21.910 1.00 0.00 WT6 O ATOM 54632 H1 TIP3 8411 44.786 1.775 22.786 1.00 0.00 WT6 H ATOM 54633 H2 TIP3 8411 44.971 2.626 21.548 1.00 0.00 WT6 H ATOM 54634 OH2 TIP3 8425 23.088 62.159 25.206 1.00 0.00 WT6 O ATOM 54635 H1 TIP3 8425 23.535 62.783 25.779 1.00 0.00 WT6 H ATOM 54636 H2 TIP3 8425 23.563 61.337 25.329 1.00 0.00 WT6 H ATOM 54637 OH2 TIP3 8466 78.721 75.883 50.892 1.00 0.00 WT6 O ATOM 54638 H1 TIP3 8466 79.538 75.674 50.439 1.00 0.00 WT6 H ATOM 54639 H2 TIP3 8466 78.228 75.063 50.887 1.00 0.00 WT6 H ATOM 54640 OH2 TIP3 8468 41.768 41.409 60.811 1.00 0.00 WT6 O ATOM 54641 H1 TIP3 8468 41.629 41.308 61.753 1.00 0.00 WT6 H ATOM 54642 H2 TIP3 8468 42.367 42.152 60.736 1.00 0.00 WT6 H ATOM 54643 OH2 TIP3 8488 76.549 45.662 67.136 1.00 0.00 WT6 O ATOM 54644 H1 TIP3 8488 75.892 45.001 66.922 1.00 0.00 WT6 H ATOM 54645 H2 TIP3 8488 76.976 45.856 66.302 1.00 0.00 WT6 H ATOM 54646 OH2 TIP3 8534 76.439 85.266 41.940 1.00 0.00 WT6 O ATOM 54647 H1 TIP3 8534 76.603 84.730 42.715 1.00 0.00 WT6 H ATOM 54648 H2 TIP3 8534 76.437 84.643 41.213 1.00 0.00 WT6 H ATOM 54649 OH2 TIP3 8536 34.695 35.802 2.362 1.00 0.00 WT6 O ATOM 54650 H1 TIP3 8536 34.421 35.998 3.259 1.00 0.00 WT6 H ATOM 54651 H2 TIP3 8536 35.510 36.291 2.248 1.00 0.00 WT6 H ATOM 54652 OH2 TIP3 8549 84.164 48.003 43.176 1.00 0.00 WT6 O ATOM 54653 H1 TIP3 8549 84.731 47.984 42.404 1.00 0.00 WT6 H ATOM 54654 H2 TIP3 8549 84.634 47.487 43.831 1.00 0.00 WT6 H ATOM 54655 OH2 TIP3 8556 34.842 9.457 57.696 1.00 0.00 WT6 O ATOM 54656 H1 TIP3 8556 35.080 9.063 58.535 1.00 0.00 WT6 H ATOM 54657 H2 TIP3 8556 34.146 10.078 57.912 1.00 0.00 WT6 H ATOM 54658 OH2 TIP3 8558 84.874 65.288 62.536 1.00 0.00 WT6 O ATOM 54659 H1 TIP3 8558 84.535 65.897 61.881 1.00 0.00 WT6 H ATOM 54660 H2 TIP3 8558 84.339 65.449 63.313 1.00 0.00 WT6 H ATOM 54661 OH2 TIP3 8574 39.785 38.518 59.149 1.00 0.00 WT6 O ATOM 54662 H1 TIP3 8574 38.847 38.619 58.990 1.00 0.00 WT6 H ATOM 54663 H2 TIP3 8574 40.059 37.830 58.541 1.00 0.00 WT6 H ATOM 54664 OH2 TIP3 8653 23.330 54.573 41.476 1.00 0.00 WT6 O ATOM 54665 H1 TIP3 8653 22.888 55.393 41.696 1.00 0.00 WT6 H ATOM 54666 H2 TIP3 8653 23.423 54.597 40.524 1.00 0.00 WT6 H ATOM 54667 OH2 TIP3 8662 89.199 56.610 52.871 1.00 0.00 WT6 O ATOM 54668 H1 TIP3 8662 89.932 56.062 53.151 1.00 0.00 WT6 H ATOM 54669 H2 TIP3 8662 88.795 56.906 53.687 1.00 0.00 WT6 H ATOM 54670 OH2 TIP3 8675 25.400 50.537 1.760 1.00 0.00 WT6 O ATOM 54671 H1 TIP3 8675 26.072 51.100 2.145 1.00 0.00 WT6 H ATOM 54672 H2 TIP3 8675 24.575 50.981 1.955 1.00 0.00 WT6 H ATOM 54673 OH2 TIP3 8679 75.755 59.266 53.717 1.00 0.00 WT6 O ATOM 54674 H1 TIP3 8679 74.837 59.512 53.599 1.00 0.00 WT6 H ATOM 54675 H2 TIP3 8679 75.862 58.478 53.185 1.00 0.00 WT6 H ATOM 54676 OH2 TIP3 8683 70.916 77.714 0.158 1.00 0.00 WT6 O ATOM 54677 H1 TIP3 8683 70.930 76.987 0.781 1.00 0.00 WT6 H ATOM 54678 H2 TIP3 8683 70.412 78.398 0.598 1.00 0.00 WT6 H ATOM 54679 OH2 TIP3 8691 80.548 38.009 -7.458 1.00 0.00 WT6 O ATOM 54680 H1 TIP3 8691 79.675 37.681 -7.244 1.00 0.00 WT6 H ATOM 54681 H2 TIP3 8691 80.674 38.755 -6.871 1.00 0.00 WT6 H ATOM 54682 OH2 TIP3 8695 34.003 74.426 26.716 1.00 0.00 WT6 O ATOM 54683 H1 TIP3 8695 34.768 73.897 26.939 1.00 0.00 WT6 H ATOM 54684 H2 TIP3 8695 33.632 74.681 27.561 1.00 0.00 WT6 H ATOM 54685 OH2 TIP3 8699 79.188 50.435 7.478 1.00 0.00 WT6 O ATOM 54686 H1 TIP3 8699 78.865 50.859 8.273 1.00 0.00 WT6 H ATOM 54687 H2 TIP3 8699 78.396 50.188 6.999 1.00 0.00 WT6 H ATOM 54688 OH2 TIP3 8701 21.322 68.855 26.044 1.00 0.00 WT6 O ATOM 54689 H1 TIP3 8701 22.221 69.070 26.292 1.00 0.00 WT6 H ATOM 54690 H2 TIP3 8701 21.394 68.024 25.574 1.00 0.00 WT6 H ATOM 54691 OH2 TIP3 8721 44.538 20.798 43.531 1.00 0.00 WT6 O ATOM 54692 H1 TIP3 8721 44.039 20.967 42.732 1.00 0.00 WT6 H ATOM 54693 H2 TIP3 8721 44.322 21.531 44.109 1.00 0.00 WT6 H ATOM 54694 OH2 TIP3 8722 61.963 64.418 49.405 1.00 0.00 WT6 O ATOM 54695 H1 TIP3 8722 61.194 64.206 49.934 1.00 0.00 WT6 H ATOM 54696 H2 TIP3 8722 62.704 64.288 49.997 1.00 0.00 WT6 H ATOM 54697 OH2 TIP3 8780 25.450 7.960 52.019 1.00 0.00 WT6 O ATOM 54698 H1 TIP3 8780 25.779 8.021 52.916 1.00 0.00 WT6 H ATOM 54699 H2 TIP3 8780 24.497 7.982 52.111 1.00 0.00 WT6 H ATOM 54700 OH2 TIP3 8800 30.035 1.158 -2.904 1.00 0.00 WT6 O ATOM 54701 H1 TIP3 8800 29.166 1.508 -2.707 1.00 0.00 WT6 H ATOM 54702 H2 TIP3 8800 30.485 1.142 -2.060 1.00 0.00 WT6 H ATOM 54703 OH2 TIP3 8809 90.005 37.703 21.599 1.00 0.00 WT6 O ATOM 54704 H1 TIP3 8809 89.144 38.111 21.503 1.00 0.00 WT6 H ATOM 54705 H2 TIP3 8809 89.953 36.906 21.072 1.00 0.00 WT6 H ATOM 54706 OH2 TIP3 8822 72.451 21.781 -5.892 1.00 0.00 WT6 O ATOM 54707 H1 TIP3 8822 72.290 20.853 -5.723 1.00 0.00 WT6 H ATOM 54708 H2 TIP3 8822 71.670 22.225 -5.561 1.00 0.00 WT6 H ATOM 54709 OH2 TIP3 8829 73.734 17.843 -4.580 1.00 0.00 WT6 O ATOM 54710 H1 TIP3 8829 74.529 17.804 -5.110 1.00 0.00 WT6 H ATOM 54711 H2 TIP3 8829 73.852 18.614 -4.025 1.00 0.00 WT6 H ATOM 54712 OH2 TIP3 8845 64.234 33.501 -3.233 1.00 0.00 WT6 O ATOM 54713 H1 TIP3 8845 64.411 32.744 -2.675 1.00 0.00 WT6 H ATOM 54714 H2 TIP3 8845 65.017 34.047 -3.152 1.00 0.00 WT6 H ATOM 54715 OH2 TIP3 8890 77.409 55.479 47.225 1.00 0.00 WT6 O ATOM 54716 H1 TIP3 8890 76.621 54.968 47.043 1.00 0.00 WT6 H ATOM 54717 H2 TIP3 8890 77.472 56.092 46.492 1.00 0.00 WT6 H ATOM 54718 OH2 TIP3 8927 36.363 18.802 22.374 1.00 0.00 WT6 O ATOM 54719 H1 TIP3 8927 36.750 18.864 21.501 1.00 0.00 WT6 H ATOM 54720 H2 TIP3 8927 37.031 18.367 22.902 1.00 0.00 WT6 H ATOM 54721 OH2 TIP3 8935 58.601 79.945 3.254 1.00 0.00 WT6 O ATOM 54722 H1 TIP3 8935 58.716 79.027 3.009 1.00 0.00 WT6 H ATOM 54723 H2 TIP3 8935 58.295 79.915 4.160 1.00 0.00 WT6 H ATOM 54724 OH2 TIP3 8972 71.607 42.920 30.992 1.00 0.00 WT6 O ATOM 54725 H1 TIP3 8972 70.816 42.586 30.570 1.00 0.00 WT6 H ATOM 54726 H2 TIP3 8972 71.656 43.836 30.717 1.00 0.00 WT6 H ATOM 54727 OH2 TIP3 8973 78.663 87.666 1.597 1.00 0.00 WT6 O ATOM 54728 H1 TIP3 8973 78.949 88.280 0.920 1.00 0.00 WT6 H ATOM 54729 H2 TIP3 8973 77.808 87.996 1.874 1.00 0.00 WT6 H ATOM 54730 OH2 TIP3 8977 45.661 92.962 47.396 1.00 0.00 WT6 O ATOM 54731 H1 TIP3 8977 46.180 92.829 46.602 1.00 0.00 WT6 H ATOM 54732 H2 TIP3 8977 46.295 93.258 48.049 1.00 0.00 WT6 H ATOM 54733 OH2 TIP3 8988 59.883 86.947 3.811 1.00 0.00 WT6 O ATOM 54734 H1 TIP3 8988 59.696 87.064 4.743 1.00 0.00 WT6 H ATOM 54735 H2 TIP3 8988 60.438 86.167 3.775 1.00 0.00 WT6 H ATOM 54736 OH2 TIP3 9035 76.964 52.636 42.006 1.00 0.00 WT6 O ATOM 54737 H1 TIP3 9035 76.433 53.236 41.482 1.00 0.00 WT6 H ATOM 54738 H2 TIP3 9035 76.671 51.763 41.743 1.00 0.00 WT6 H ATOM 54739 OH2 TIP3 9047 48.097 27.233 0.739 1.00 0.00 WT6 O ATOM 54740 H1 TIP3 9047 47.964 26.841 1.602 1.00 0.00 WT6 H ATOM 54741 H2 TIP3 9047 47.218 27.300 0.367 1.00 0.00 WT6 H ATOM 54742 OH2 TIP3 9055 43.992 13.315 -0.989 1.00 0.00 WT6 O ATOM 54743 H1 TIP3 9055 43.966 12.532 -1.540 1.00 0.00 WT6 H ATOM 54744 H2 TIP3 9055 43.368 13.134 -0.286 1.00 0.00 WT6 H ATOM 54745 OH2 TIP3 9073 35.969 8.060 49.503 1.00 0.00 WT6 O ATOM 54746 H1 TIP3 9073 36.073 8.764 50.143 1.00 0.00 WT6 H ATOM 54747 H2 TIP3 9073 36.823 7.997 49.074 1.00 0.00 WT6 H ATOM 54748 OH2 TIP3 9096 33.965 18.423 57.508 1.00 0.00 WT6 O ATOM 54749 H1 TIP3 9096 33.730 18.200 56.607 1.00 0.00 WT6 H ATOM 54750 H2 TIP3 9096 33.241 18.083 58.035 1.00 0.00 WT6 H ATOM 54751 OH2 TIP3 9097 52.308 20.311 43.462 1.00 0.00 WT6 O ATOM 54752 H1 TIP3 9097 51.618 19.814 43.901 1.00 0.00 WT6 H ATOM 54753 H2 TIP3 9097 52.153 21.219 43.724 1.00 0.00 WT6 H ATOM 54754 OH2 TIP3 9116 73.617 71.354 36.372 1.00 0.00 WT6 O ATOM 54755 H1 TIP3 9116 73.546 72.300 36.240 1.00 0.00 WT6 H ATOM 54756 H2 TIP3 9116 73.442 70.978 35.509 1.00 0.00 WT6 H ATOM 54757 OH2 TIP3 9124 49.276 76.843 -18.158 1.00 0.00 WT6 O ATOM 54758 H1 TIP3 9124 49.757 77.644 -18.367 1.00 0.00 WT6 H ATOM 54759 H2 TIP3 9124 49.164 76.404 -19.002 1.00 0.00 WT6 H ATOM 54760 OH2 TIP3 9143 33.439 48.028 63.033 1.00 0.00 WT6 O ATOM 54761 H1 TIP3 9143 34.280 47.624 62.819 1.00 0.00 WT6 H ATOM 54762 H2 TIP3 9143 33.622 48.967 63.053 1.00 0.00 WT6 H ATOM 54763 OH2 TIP3 9144 68.789 43.949 7.111 1.00 0.00 WT6 O ATOM 54764 H1 TIP3 9144 68.914 44.692 7.702 1.00 0.00 WT6 H ATOM 54765 H2 TIP3 9144 68.290 43.315 7.626 1.00 0.00 WT6 H ATOM 54766 OH2 TIP3 9157 57.040 23.453 28.914 1.00 0.00 WT6 O ATOM 54767 H1 TIP3 9157 56.156 23.762 29.112 1.00 0.00 WT6 H ATOM 54768 H2 TIP3 9157 56.962 23.031 28.059 1.00 0.00 WT6 H ATOM 54769 OH2 TIP3 9158 35.277 56.962 53.599 1.00 0.00 WT6 O ATOM 54770 H1 TIP3 9158 35.445 57.546 54.338 1.00 0.00 WT6 H ATOM 54771 H2 TIP3 9158 34.795 57.501 52.972 1.00 0.00 WT6 H ATOM 54772 OH2 TIP3 9162 72.506 77.132 38.310 1.00 0.00 WT6 O ATOM 54773 H1 TIP3 9162 72.205 76.417 38.870 1.00 0.00 WT6 H ATOM 54774 H2 TIP3 9162 71.786 77.763 38.318 1.00 0.00 WT6 H ATOM 54775 OH2 TIP3 9183 21.703 57.671 -9.179 1.00 0.00 WT6 O ATOM 54776 H1 TIP3 9183 22.234 57.512 -9.959 1.00 0.00 WT6 H ATOM 54777 H2 TIP3 9183 22.303 57.524 -8.447 1.00 0.00 WT6 H ATOM 54778 OH2 TIP3 9184 60.271 41.942 -7.193 1.00 0.00 WT6 O ATOM 54779 H1 TIP3 9184 60.446 42.773 -6.750 1.00 0.00 WT6 H ATOM 54780 H2 TIP3 9184 61.120 41.673 -7.544 1.00 0.00 WT6 H ATOM 54781 OH2 TIP3 9198 79.670 26.510 -0.198 1.00 0.00 WT6 O ATOM 54782 H1 TIP3 9198 79.932 27.126 -0.883 1.00 0.00 WT6 H ATOM 54783 H2 TIP3 9198 79.816 26.985 0.620 1.00 0.00 WT6 H ATOM 54784 OH2 TIP3 9223 64.926 36.222 36.929 1.00 0.00 WT6 O ATOM 54785 H1 TIP3 9223 65.229 36.286 36.023 1.00 0.00 WT6 H ATOM 54786 H2 TIP3 9223 64.125 35.700 36.877 1.00 0.00 WT6 H ATOM 54787 OH2 TIP3 9227 86.420 81.389 -10.601 1.00 0.00 WT6 O ATOM 54788 H1 TIP3 9227 87.041 81.457 -9.876 1.00 0.00 WT6 H ATOM 54789 H2 TIP3 9227 86.353 80.450 -10.773 1.00 0.00 WT6 H ATOM 54790 OH2 TIP3 9250 44.180 30.127 49.834 1.00 0.00 WT6 O ATOM 54791 H1 TIP3 9250 43.897 30.850 50.394 1.00 0.00 WT6 H ATOM 54792 H2 TIP3 9250 43.498 29.463 49.935 1.00 0.00 WT6 H ATOM 54793 OH2 TIP3 5 88.735 58.816 -18.905 1.00 0.00 WT7 O ATOM 54794 H1 TIP3 5 88.808 58.087 -18.288 1.00 0.00 WT7 H ATOM 54795 H2 TIP3 5 88.035 58.555 -19.503 1.00 0.00 WT7 H ATOM 54796 OH2 TIP3 8 31.803 37.008 58.007 1.00 0.00 WT7 O ATOM 54797 H1 TIP3 8 32.265 36.494 58.669 1.00 0.00 WT7 H ATOM 54798 H2 TIP3 8 32.497 37.467 57.532 1.00 0.00 WT7 H ATOM 54799 OH2 TIP3 15 46.683 74.211 -11.136 1.00 0.00 WT7 O ATOM 54800 H1 TIP3 15 47.020 74.293 -12.028 1.00 0.00 WT7 H ATOM 54801 H2 TIP3 15 45.952 73.598 -11.211 1.00 0.00 WT7 H ATOM 54802 OH2 TIP3 19 74.127 37.677 47.479 1.00 0.00 WT7 O ATOM 54803 H1 TIP3 19 74.978 37.791 47.902 1.00 0.00 WT7 H ATOM 54804 H2 TIP3 19 73.912 36.754 47.617 1.00 0.00 WT7 H ATOM 54805 OH2 TIP3 37 60.758 56.188 55.237 1.00 0.00 WT7 O ATOM 54806 H1 TIP3 37 61.188 55.912 54.427 1.00 0.00 WT7 H ATOM 54807 H2 TIP3 37 59.823 56.143 55.040 1.00 0.00 WT7 H ATOM 54808 OH2 TIP3 42 89.023 67.606 30.365 1.00 0.00 WT7 O ATOM 54809 H1 TIP3 42 88.548 68.332 30.770 1.00 0.00 WT7 H ATOM 54810 H2 TIP3 42 88.384 67.196 29.782 1.00 0.00 WT7 H ATOM 54811 OH2 TIP3 44 38.231 42.192 48.039 1.00 0.00 WT7 O ATOM 54812 H1 TIP3 44 38.770 41.745 47.387 1.00 0.00 WT7 H ATOM 54813 H2 TIP3 44 38.096 43.069 47.679 1.00 0.00 WT7 H ATOM 54814 OH2 TIP3 48 70.762 84.216 -2.632 1.00 0.00 WT7 O ATOM 54815 H1 TIP3 48 70.094 84.876 -2.450 1.00 0.00 WT7 H ATOM 54816 H2 TIP3 48 70.291 83.516 -3.084 1.00 0.00 WT7 H ATOM 54817 OH2 TIP3 52 69.671 41.059 -14.310 1.00 0.00 WT7 O ATOM 54818 H1 TIP3 52 69.275 41.909 -14.504 1.00 0.00 WT7 H ATOM 54819 H2 TIP3 52 69.015 40.603 -13.784 1.00 0.00 WT7 H ATOM 54820 OH2 TIP3 53 25.871 93.722 -1.153 1.00 0.00 WT7 O ATOM 54821 H1 TIP3 53 25.078 94.121 -0.797 1.00 0.00 WT7 H ATOM 54822 H2 TIP3 53 25.559 93.156 -1.859 1.00 0.00 WT7 H ATOM 54823 OH2 TIP3 55 36.440 2.228 -4.348 1.00 0.00 WT7 O ATOM 54824 H1 TIP3 55 35.840 2.548 -5.021 1.00 0.00 WT7 H ATOM 54825 H2 TIP3 55 35.967 1.509 -3.928 1.00 0.00 WT7 H ATOM 54826 OH2 TIP3 61 34.354 85.748 22.923 1.00 0.00 WT7 O ATOM 54827 H1 TIP3 61 34.855 84.976 23.185 1.00 0.00 WT7 H ATOM 54828 H2 TIP3 61 35.013 86.430 22.796 1.00 0.00 WT7 H ATOM 54829 OH2 TIP3 67 23.561 56.863 50.010 1.00 0.00 WT7 O ATOM 54830 H1 TIP3 67 24.187 56.299 50.464 1.00 0.00 WT7 H ATOM 54831 H2 TIP3 67 23.431 57.604 50.602 1.00 0.00 WT7 H ATOM 54832 OH2 TIP3 78 48.934 47.273 53.587 1.00 0.00 WT7 O ATOM 54833 H1 TIP3 78 48.708 47.925 54.251 1.00 0.00 WT7 H ATOM 54834 H2 TIP3 78 48.311 47.427 52.878 1.00 0.00 WT7 H ATOM 54835 OH2 TIP3 87 80.140 76.617 59.899 1.00 0.00 WT7 O ATOM 54836 H1 TIP3 87 80.151 75.955 59.208 1.00 0.00 WT7 H ATOM 54837 H2 TIP3 87 80.873 76.382 60.468 1.00 0.00 WT7 H ATOM 54838 OH2 TIP3 94 51.624 83.269 -17.795 1.00 0.00 WT7 O ATOM 54839 H1 TIP3 94 51.254 83.172 -16.917 1.00 0.00 WT7 H ATOM 54840 H2 TIP3 94 52.508 82.907 -17.724 1.00 0.00 WT7 H ATOM 54841 OH2 TIP3 95 48.093 6.360 2.689 1.00 0.00 WT7 O ATOM 54842 H1 TIP3 95 47.492 5.631 2.531 1.00 0.00 WT7 H ATOM 54843 H2 TIP3 95 48.931 6.060 2.338 1.00 0.00 WT7 H ATOM 54844 OH2 TIP3 113 80.215 44.814 32.853 1.00 0.00 WT7 O ATOM 54845 H1 TIP3 113 79.730 43.991 32.789 1.00 0.00 WT7 H ATOM 54846 H2 TIP3 113 79.583 45.437 33.212 1.00 0.00 WT7 H ATOM 54847 OH2 TIP3 115 46.227 44.887 3.430 1.00 0.00 WT7 O ATOM 54848 H1 TIP3 115 45.611 44.912 4.163 1.00 0.00 WT7 H ATOM 54849 H2 TIP3 115 45.727 44.504 2.709 1.00 0.00 WT7 H ATOM 54850 OH2 TIP3 122 36.488 40.508 21.213 1.00 0.00 WT7 O ATOM 54851 H1 TIP3 122 36.724 40.268 22.109 1.00 0.00 WT7 H ATOM 54852 H2 TIP3 122 37.312 40.462 20.727 1.00 0.00 WT7 H ATOM 54853 OH2 TIP3 128 72.722 30.631 -5.995 1.00 0.00 WT7 O ATOM 54854 H1 TIP3 128 71.997 30.078 -5.700 1.00 0.00 WT7 H ATOM 54855 H2 TIP3 128 73.014 31.084 -5.205 1.00 0.00 WT7 H ATOM 54856 OH2 TIP3 135 71.154 86.722 -6.666 1.00 0.00 WT7 O ATOM 54857 H1 TIP3 135 71.867 87.054 -7.212 1.00 0.00 WT7 H ATOM 54858 H2 TIP3 135 70.787 85.994 -7.168 1.00 0.00 WT7 H ATOM 54859 OH2 TIP3 137 80.256 82.748 39.437 1.00 0.00 WT7 O ATOM 54860 H1 TIP3 137 79.698 82.559 40.191 1.00 0.00 WT7 H ATOM 54861 H2 TIP3 137 80.212 83.699 39.338 1.00 0.00 WT7 H ATOM 54862 OH2 TIP3 149 40.646 68.965 -15.820 1.00 0.00 WT7 O ATOM 54863 H1 TIP3 149 41.576 68.784 -15.685 1.00 0.00 WT7 H ATOM 54864 H2 TIP3 149 40.246 68.102 -15.928 1.00 0.00 WT7 H ATOM 54865 OH2 TIP3 150 69.511 4.815 -1.767 1.00 0.00 WT7 O ATOM 54866 H1 TIP3 150 69.576 5.701 -2.124 1.00 0.00 WT7 H ATOM 54867 H2 TIP3 150 70.310 4.704 -1.252 1.00 0.00 WT7 H ATOM 54868 OH2 TIP3 153 47.084 65.928 -6.729 1.00 0.00 WT7 O ATOM 54869 H1 TIP3 153 46.129 65.880 -6.705 1.00 0.00 WT7 H ATOM 54870 H2 TIP3 153 47.285 66.838 -6.510 1.00 0.00 WT7 H ATOM 54871 OH2 TIP3 155 46.653 61.309 5.470 1.00 0.00 WT7 O ATOM 54872 H1 TIP3 155 47.224 60.639 5.847 1.00 0.00 WT7 H ATOM 54873 H2 TIP3 155 46.644 62.011 6.121 1.00 0.00 WT7 H ATOM 54874 OH2 TIP3 165 39.273 44.347 17.048 1.00 0.00 WT7 O ATOM 54875 H1 TIP3 165 39.113 44.994 17.735 1.00 0.00 WT7 H ATOM 54876 H2 TIP3 165 40.205 44.433 16.849 1.00 0.00 WT7 H ATOM 54877 OH2 TIP3 167 47.146 95.385 -6.132 1.00 0.00 WT7 O ATOM 54878 H1 TIP3 167 47.672 94.991 -6.828 1.00 0.00 WT7 H ATOM 54879 H2 TIP3 167 47.391 94.902 -5.343 1.00 0.00 WT7 H ATOM 54880 OH2 TIP3 175 77.831 45.384 19.521 1.00 0.00 WT7 O ATOM 54881 H1 TIP3 175 78.489 45.266 20.207 1.00 0.00 WT7 H ATOM 54882 H2 TIP3 175 77.125 45.870 19.946 1.00 0.00 WT7 H ATOM 54883 OH2 TIP3 177 31.641 78.016 7.543 1.00 0.00 WT7 O ATOM 54884 H1 TIP3 177 32.103 77.808 8.355 1.00 0.00 WT7 H ATOM 54885 H2 TIP3 177 32.185 77.635 6.853 1.00 0.00 WT7 H ATOM 54886 OH2 TIP3 201 45.790 92.305 55.499 1.00 0.00 WT7 O ATOM 54887 H1 TIP3 201 46.356 93.075 55.436 1.00 0.00 WT7 H ATOM 54888 H2 TIP3 201 44.932 92.614 55.210 1.00 0.00 WT7 H ATOM 54889 OH2 TIP3 225 24.718 68.354 22.241 1.00 0.00 WT7 O ATOM 54890 H1 TIP3 225 23.819 68.025 22.241 1.00 0.00 WT7 H ATOM 54891 H2 TIP3 225 25.153 67.864 22.938 1.00 0.00 WT7 H ATOM 54892 OH2 TIP3 234 32.616 38.076 41.401 1.00 0.00 WT7 O ATOM 54893 H1 TIP3 234 31.846 38.060 40.833 1.00 0.00 WT7 H ATOM 54894 H2 TIP3 234 33.251 37.511 40.961 1.00 0.00 WT7 H ATOM 54895 OH2 TIP3 237 20.755 5.604 -0.067 1.00 0.00 WT7 O ATOM 54896 H1 TIP3 237 21.097 5.917 0.771 1.00 0.00 WT7 H ATOM 54897 H2 TIP3 237 21.113 6.211 -0.714 1.00 0.00 WT7 H ATOM 54898 OH2 TIP3 261 22.778 32.108 -5.158 1.00 0.00 WT7 O ATOM 54899 H1 TIP3 261 23.212 32.900 -4.840 1.00 0.00 WT7 H ATOM 54900 H2 TIP3 261 22.412 31.703 -4.372 1.00 0.00 WT7 H ATOM 54901 OH2 TIP3 268 26.314 84.589 20.908 1.00 0.00 WT7 O ATOM 54902 H1 TIP3 268 26.359 84.804 19.976 1.00 0.00 WT7 H ATOM 54903 H2 TIP3 268 26.397 83.636 20.939 1.00 0.00 WT7 H ATOM 54904 OH2 TIP3 313 68.230 33.766 -19.861 1.00 0.00 WT7 O ATOM 54905 H1 TIP3 313 68.731 33.382 -19.141 1.00 0.00 WT7 H ATOM 54906 H2 TIP3 313 67.487 33.174 -19.980 1.00 0.00 WT7 H ATOM 54907 OH2 TIP3 379 50.495 9.416 6.041 1.00 0.00 WT7 O ATOM 54908 H1 TIP3 379 50.129 10.271 6.269 1.00 0.00 WT7 H ATOM 54909 H2 TIP3 379 49.862 8.784 6.381 1.00 0.00 WT7 H ATOM 54910 OH2 TIP3 400 43.253 54.636 62.044 1.00 0.00 WT7 O ATOM 54911 H1 TIP3 400 42.378 54.532 62.416 1.00 0.00 WT7 H ATOM 54912 H2 TIP3 400 43.457 55.563 62.166 1.00 0.00 WT7 H ATOM 54913 OH2 TIP3 417 60.400 65.221 47.192 1.00 0.00 WT7 O ATOM 54914 H1 TIP3 417 59.954 64.692 46.530 1.00 0.00 WT7 H ATOM 54915 H2 TIP3 417 61.071 64.641 47.550 1.00 0.00 WT7 H ATOM 54916 OH2 TIP3 449 87.930 26.146 -13.903 1.00 0.00 WT7 O ATOM 54917 H1 TIP3 449 86.981 26.041 -13.832 1.00 0.00 WT7 H ATOM 54918 H2 TIP3 449 88.225 25.362 -14.367 1.00 0.00 WT7 H ATOM 54919 OH2 TIP3 462 80.126 63.796 29.336 1.00 0.00 WT7 O ATOM 54920 H1 TIP3 462 80.065 63.938 28.391 1.00 0.00 WT7 H ATOM 54921 H2 TIP3 462 79.999 64.665 29.717 1.00 0.00 WT7 H ATOM 54922 OH2 TIP3 463 22.529 76.642 -7.782 1.00 0.00 WT7 O ATOM 54923 H1 TIP3 463 23.356 77.123 -7.746 1.00 0.00 WT7 H ATOM 54924 H2 TIP3 463 22.666 75.887 -7.210 1.00 0.00 WT7 H ATOM 54925 OH2 TIP3 485 64.357 90.071 -9.577 1.00 0.00 WT7 O ATOM 54926 H1 TIP3 485 64.500 90.922 -9.990 1.00 0.00 WT7 H ATOM 54927 H2 TIP3 485 63.406 89.998 -9.501 1.00 0.00 WT7 H ATOM 54928 OH2 TIP3 486 44.360 47.128 -15.197 1.00 0.00 WT7 O ATOM 54929 H1 TIP3 486 45.000 47.255 -15.897 1.00 0.00 WT7 H ATOM 54930 H2 TIP3 486 44.152 48.013 -14.898 1.00 0.00 WT7 H ATOM 54931 OH2 TIP3 489 57.333 81.425 25.246 1.00 0.00 WT7 O ATOM 54932 H1 TIP3 489 57.339 81.775 24.354 1.00 0.00 WT7 H ATOM 54933 H2 TIP3 489 57.046 80.518 25.146 1.00 0.00 WT7 H ATOM 54934 OH2 TIP3 490 78.963 78.971 37.790 1.00 0.00 WT7 O ATOM 54935 H1 TIP3 490 78.729 78.047 37.706 1.00 0.00 WT7 H ATOM 54936 H2 TIP3 490 78.125 79.433 37.780 1.00 0.00 WT7 H ATOM 54937 OH2 TIP3 491 78.805 50.053 1.596 1.00 0.00 WT7 O ATOM 54938 H1 TIP3 491 79.563 50.418 2.054 1.00 0.00 WT7 H ATOM 54939 H2 TIP3 491 78.060 50.552 1.930 1.00 0.00 WT7 H ATOM 54940 OH2 TIP3 494 77.926 78.534 16.822 1.00 0.00 WT7 O ATOM 54941 H1 TIP3 494 77.395 79.083 17.399 1.00 0.00 WT7 H ATOM 54942 H2 TIP3 494 78.369 77.925 17.413 1.00 0.00 WT7 H ATOM 54943 OH2 TIP3 501 48.519 95.095 20.179 1.00 0.00 WT7 O ATOM 54944 H1 TIP3 501 48.235 95.999 20.042 1.00 0.00 WT7 H ATOM 54945 H2 TIP3 501 47.791 94.563 19.859 1.00 0.00 WT7 H ATOM 54946 OH2 TIP3 502 22.363 49.809 45.356 1.00 0.00 WT7 O ATOM 54947 H1 TIP3 502 23.188 50.262 45.185 1.00 0.00 WT7 H ATOM 54948 H2 TIP3 502 22.573 48.881 45.255 1.00 0.00 WT7 H ATOM 54949 OH2 TIP3 503 23.807 36.203 19.259 1.00 0.00 WT7 O ATOM 54950 H1 TIP3 503 23.020 36.290 19.797 1.00 0.00 WT7 H ATOM 54951 H2 TIP3 503 23.657 36.791 18.519 1.00 0.00 WT7 H ATOM 54952 OH2 TIP3 506 57.583 37.855 52.109 1.00 0.00 WT7 O ATOM 54953 H1 TIP3 506 56.719 37.980 52.500 1.00 0.00 WT7 H ATOM 54954 H2 TIP3 506 57.754 38.670 51.636 1.00 0.00 WT7 H ATOM 54955 OH2 TIP3 509 29.086 22.176 -13.144 1.00 0.00 WT7 O ATOM 54956 H1 TIP3 509 28.218 22.145 -13.547 1.00 0.00 WT7 H ATOM 54957 H2 TIP3 509 29.188 23.085 -12.863 1.00 0.00 WT7 H ATOM 54958 OH2 TIP3 511 71.511 12.757 0.278 1.00 0.00 WT7 O ATOM 54959 H1 TIP3 511 70.575 12.779 0.478 1.00 0.00 WT7 H ATOM 54960 H2 TIP3 511 71.706 11.829 0.145 1.00 0.00 WT7 H ATOM 54961 OH2 TIP3 515 29.612 72.410 -15.417 1.00 0.00 WT7 O ATOM 54962 H1 TIP3 515 30.395 72.961 -15.406 1.00 0.00 WT7 H ATOM 54963 H2 TIP3 515 29.644 71.932 -14.588 1.00 0.00 WT7 H ATOM 54964 OH2 TIP3 516 30.448 47.154 24.768 1.00 0.00 WT7 O ATOM 54965 H1 TIP3 516 29.870 47.844 25.095 1.00 0.00 WT7 H ATOM 54966 H2 TIP3 516 31.305 47.573 24.695 1.00 0.00 WT7 H ATOM 54967 OH2 TIP3 520 67.884 56.894 61.711 1.00 0.00 WT7 O ATOM 54968 H1 TIP3 520 66.989 56.679 61.974 1.00 0.00 WT7 H ATOM 54969 H2 TIP3 520 67.781 57.421 60.918 1.00 0.00 WT7 H ATOM 54970 OH2 TIP3 526 68.628 95.544 -17.301 1.00 0.00 WT7 O ATOM 54971 H1 TIP3 526 67.900 95.999 -16.877 1.00 0.00 WT7 H ATOM 54972 H2 TIP3 526 68.666 95.921 -18.180 1.00 0.00 WT7 H ATOM 54973 OH2 TIP3 540 64.369 42.555 -13.037 1.00 0.00 WT7 O ATOM 54974 H1 TIP3 540 63.539 42.431 -12.577 1.00 0.00 WT7 H ATOM 54975 H2 TIP3 540 64.451 41.782 -13.596 1.00 0.00 WT7 H ATOM 54976 OH2 TIP3 541 79.659 89.357 -15.586 1.00 0.00 WT7 O ATOM 54977 H1 TIP3 541 79.699 88.467 -15.937 1.00 0.00 WT7 H ATOM 54978 H2 TIP3 541 79.718 89.922 -16.357 1.00 0.00 WT7 H ATOM 54979 OH2 TIP3 548 70.121 75.181 -10.283 1.00 0.00 WT7 O ATOM 54980 H1 TIP3 548 69.455 74.510 -10.136 1.00 0.00 WT7 H ATOM 54981 H2 TIP3 548 70.252 75.581 -9.423 1.00 0.00 WT7 H ATOM 54982 OH2 TIP3 550 24.941 45.710 -2.872 1.00 0.00 WT7 O ATOM 54983 H1 TIP3 550 24.723 45.124 -2.147 1.00 0.00 WT7 H ATOM 54984 H2 TIP3 550 25.259 46.507 -2.448 1.00 0.00 WT7 H ATOM 54985 OH2 TIP3 551 87.748 76.709 63.616 1.00 0.00 WT7 O ATOM 54986 H1 TIP3 551 88.309 76.111 63.123 1.00 0.00 WT7 H ATOM 54987 H2 TIP3 551 88.071 77.581 63.391 1.00 0.00 WT7 H ATOM 54988 OH2 TIP3 555 64.857 46.477 28.072 1.00 0.00 WT7 O ATOM 54989 H1 TIP3 555 64.526 47.351 28.282 1.00 0.00 WT7 H ATOM 54990 H2 TIP3 555 64.325 45.885 28.604 1.00 0.00 WT7 H ATOM 54991 OH2 TIP3 556 30.304 76.910 -11.903 1.00 0.00 WT7 O ATOM 54992 H1 TIP3 556 30.629 77.741 -11.555 1.00 0.00 WT7 H ATOM 54993 H2 TIP3 556 29.478 76.764 -11.441 1.00 0.00 WT7 H ATOM 54994 OH2 TIP3 562 65.317 9.699 64.217 1.00 0.00 WT7 O ATOM 54995 H1 TIP3 562 65.553 8.775 64.292 1.00 0.00 WT7 H ATOM 54996 H2 TIP3 562 64.938 9.920 65.068 1.00 0.00 WT7 H ATOM 54997 OH2 TIP3 564 82.591 60.213 39.060 1.00 0.00 WT7 O ATOM 54998 H1 TIP3 564 81.645 60.317 39.168 1.00 0.00 WT7 H ATOM 54999 H2 TIP3 564 82.814 60.791 38.330 1.00 0.00 WT7 H ATOM 55000 OH2 TIP3 573 37.889 3.206 -1.712 1.00 0.00 WT7 O ATOM 55001 H1 TIP3 573 37.678 2.451 -2.262 1.00 0.00 WT7 H ATOM 55002 H2 TIP3 573 38.259 2.828 -0.915 1.00 0.00 WT7 H ATOM 55003 OH2 TIP3 575 76.965 77.146 30.419 1.00 0.00 WT7 O ATOM 55004 H1 TIP3 575 76.184 77.127 30.972 1.00 0.00 WT7 H ATOM 55005 H2 TIP3 575 76.635 77.006 29.532 1.00 0.00 WT7 H ATOM 55006 OH2 TIP3 576 59.792 2.892 35.278 1.00 0.00 WT7 O ATOM 55007 H1 TIP3 576 58.936 2.560 35.548 1.00 0.00 WT7 H ATOM 55008 H2 TIP3 576 59.830 2.718 34.337 1.00 0.00 WT7 H ATOM 55009 OH2 TIP3 578 58.788 95.151 20.320 1.00 0.00 WT7 O ATOM 55010 H1 TIP3 578 59.088 94.316 20.680 1.00 0.00 WT7 H ATOM 55011 H2 TIP3 578 57.845 95.037 20.206 1.00 0.00 WT7 H ATOM 55012 OH2 TIP3 584 45.838 68.544 -1.383 1.00 0.00 WT7 O ATOM 55013 H1 TIP3 584 46.436 69.290 -1.357 1.00 0.00 WT7 H ATOM 55014 H2 TIP3 584 46.129 67.978 -0.667 1.00 0.00 WT7 H ATOM 55015 OH2 TIP3 586 55.399 88.952 -1.940 1.00 0.00 WT7 O ATOM 55016 H1 TIP3 586 55.725 89.753 -2.351 1.00 0.00 WT7 H ATOM 55017 H2 TIP3 586 55.201 88.369 -2.674 1.00 0.00 WT7 H ATOM 55018 OH2 TIP3 591 22.358 39.042 2.108 1.00 0.00 WT7 O ATOM 55019 H1 TIP3 591 23.049 38.639 2.634 1.00 0.00 WT7 H ATOM 55020 H2 TIP3 591 22.825 39.492 1.404 1.00 0.00 WT7 H ATOM 55021 OH2 TIP3 593 68.950 85.167 15.233 1.00 0.00 WT7 O ATOM 55022 H1 TIP3 593 69.174 84.691 14.434 1.00 0.00 WT7 H ATOM 55023 H2 TIP3 593 67.993 85.192 15.238 1.00 0.00 WT7 H ATOM 55024 OH2 TIP3 594 27.501 42.292 37.825 1.00 0.00 WT7 O ATOM 55025 H1 TIP3 594 28.022 43.050 38.092 1.00 0.00 WT7 H ATOM 55026 H2 TIP3 594 27.598 42.258 36.873 1.00 0.00 WT7 H ATOM 55027 OH2 TIP3 599 48.969 52.163 58.581 1.00 0.00 WT7 O ATOM 55028 H1 TIP3 599 48.545 52.760 57.965 1.00 0.00 WT7 H ATOM 55029 H2 TIP3 599 48.320 51.476 58.733 1.00 0.00 WT7 H ATOM 55030 OH2 TIP3 602 62.978 69.328 54.901 1.00 0.00 WT7 O ATOM 55031 H1 TIP3 602 62.730 68.441 55.162 1.00 0.00 WT7 H ATOM 55032 H2 TIP3 602 62.369 69.550 54.197 1.00 0.00 WT7 H ATOM 55033 OH2 TIP3 606 31.942 58.076 4.470 1.00 0.00 WT7 O ATOM 55034 H1 TIP3 606 32.779 57.721 4.169 1.00 0.00 WT7 H ATOM 55035 H2 TIP3 606 31.354 57.321 4.488 1.00 0.00 WT7 H ATOM 55036 OH2 TIP3 626 90.024 65.366 66.023 1.00 0.00 WT7 O ATOM 55037 H1 TIP3 626 89.121 65.684 66.043 1.00 0.00 WT7 H ATOM 55038 H2 TIP3 626 90.559 66.159 66.063 1.00 0.00 WT7 H ATOM 55039 OH2 TIP3 638 22.606 16.094 -8.025 1.00 0.00 WT7 O ATOM 55040 H1 TIP3 638 22.417 16.866 -7.492 1.00 0.00 WT7 H ATOM 55041 H2 TIP3 638 23.539 16.164 -8.227 1.00 0.00 WT7 H ATOM 55042 OH2 TIP3 639 80.774 47.932 10.741 1.00 0.00 WT7 O ATOM 55043 H1 TIP3 639 81.371 48.240 10.059 1.00 0.00 WT7 H ATOM 55044 H2 TIP3 639 81.339 47.757 11.494 1.00 0.00 WT7 H ATOM 55045 OH2 TIP3 649 43.538 84.731 30.038 1.00 0.00 WT7 O ATOM 55046 H1 TIP3 649 42.917 84.098 29.679 1.00 0.00 WT7 H ATOM 55047 H2 TIP3 649 43.065 85.152 30.755 1.00 0.00 WT7 H ATOM 55048 OH2 TIP3 650 75.927 0.990 53.600 1.00 0.00 WT7 O ATOM 55049 H1 TIP3 650 75.832 1.214 52.674 1.00 0.00 WT7 H ATOM 55050 H2 TIP3 650 75.635 1.773 54.067 1.00 0.00 WT7 H ATOM 55051 OH2 TIP3 662 47.218 57.644 -9.778 1.00 0.00 WT7 O ATOM 55052 H1 TIP3 662 46.284 57.462 -9.681 1.00 0.00 WT7 H ATOM 55053 H2 TIP3 662 47.290 58.084 -10.625 1.00 0.00 WT7 H ATOM 55054 OH2 TIP3 666 43.763 27.684 -18.874 1.00 0.00 WT7 O ATOM 55055 H1 TIP3 666 44.172 27.698 -18.009 1.00 0.00 WT7 H ATOM 55056 H2 TIP3 666 42.833 27.831 -18.702 1.00 0.00 WT7 H ATOM 55057 OH2 TIP3 668 24.240 68.604 62.268 1.00 0.00 WT7 O ATOM 55058 H1 TIP3 668 24.578 69.185 61.586 1.00 0.00 WT7 H ATOM 55059 H2 TIP3 668 24.742 67.796 62.165 1.00 0.00 WT7 H ATOM 55060 OH2 TIP3 711 84.478 92.504 -5.425 1.00 0.00 WT7 O ATOM 55061 H1 TIP3 711 85.258 92.295 -4.911 1.00 0.00 WT7 H ATOM 55062 H2 TIP3 711 84.276 93.411 -5.197 1.00 0.00 WT7 H ATOM 55063 OH2 TIP3 822 72.268 65.530 15.047 1.00 0.00 WT7 O ATOM 55064 H1 TIP3 822 72.172 65.190 14.157 1.00 0.00 WT7 H ATOM 55065 H2 TIP3 822 71.578 65.092 15.546 1.00 0.00 WT7 H ATOM 55066 OH2 TIP3 836 47.031 2.845 48.559 1.00 0.00 WT7 O ATOM 55067 H1 TIP3 836 46.387 3.545 48.450 1.00 0.00 WT7 H ATOM 55068 H2 TIP3 836 46.592 2.061 48.228 1.00 0.00 WT7 H ATOM 55069 OH2 TIP3 852 40.159 59.367 57.640 1.00 0.00 WT7 O ATOM 55070 H1 TIP3 852 39.981 60.161 57.136 1.00 0.00 WT7 H ATOM 55071 H2 TIP3 852 39.297 58.983 57.797 1.00 0.00 WT7 H ATOM 55072 OH2 TIP3 854 64.627 95.808 27.465 1.00 0.00 WT7 O ATOM 55073 H1 TIP3 854 63.767 95.625 27.087 1.00 0.00 WT7 H ATOM 55074 H2 TIP3 854 64.913 96.612 27.033 1.00 0.00 WT7 H ATOM 55075 OH2 TIP3 860 48.191 72.420 31.965 1.00 0.00 WT7 O ATOM 55076 H1 TIP3 860 47.815 72.808 32.755 1.00 0.00 WT7 H ATOM 55077 H2 TIP3 860 49.008 72.019 32.261 1.00 0.00 WT7 H ATOM 55078 OH2 TIP3 889 77.353 79.213 -3.395 1.00 0.00 WT7 O ATOM 55079 H1 TIP3 889 77.692 79.530 -2.558 1.00 0.00 WT7 H ATOM 55080 H2 TIP3 889 78.132 78.966 -3.892 1.00 0.00 WT7 H ATOM 55081 OH2 TIP3 892 31.186 11.485 -7.405 1.00 0.00 WT7 O ATOM 55082 H1 TIP3 892 30.952 10.761 -7.986 1.00 0.00 WT7 H ATOM 55083 H2 TIP3 892 30.362 11.949 -7.255 1.00 0.00 WT7 H ATOM 55084 OH2 TIP3 895 30.382 83.745 30.263 1.00 0.00 WT7 O ATOM 55085 H1 TIP3 895 30.994 83.269 30.824 1.00 0.00 WT7 H ATOM 55086 H2 TIP3 895 30.656 84.659 30.328 1.00 0.00 WT7 H ATOM 55087 OH2 TIP3 908 47.668 69.651 -16.733 1.00 0.00 WT7 O ATOM 55088 H1 TIP3 908 46.742 69.893 -16.710 1.00 0.00 WT7 H ATOM 55089 H2 TIP3 908 47.859 69.350 -15.845 1.00 0.00 WT7 H ATOM 55090 OH2 TIP3 919 70.172 88.238 30.456 1.00 0.00 WT7 O ATOM 55091 H1 TIP3 919 69.413 87.747 30.770 1.00 0.00 WT7 H ATOM 55092 H2 TIP3 919 70.638 87.623 29.890 1.00 0.00 WT7 H ATOM 55093 OH2 TIP3 928 75.236 61.046 -18.553 1.00 0.00 WT7 O ATOM 55094 H1 TIP3 928 74.488 61.159 -17.966 1.00 0.00 WT7 H ATOM 55095 H2 TIP3 928 75.919 60.665 -18.000 1.00 0.00 WT7 H ATOM 55096 OH2 TIP3 930 21.551 95.950 -8.165 1.00 0.00 WT7 O ATOM 55097 H1 TIP3 930 21.668 95.341 -8.893 1.00 0.00 WT7 H ATOM 55098 H2 TIP3 930 21.089 95.442 -7.498 1.00 0.00 WT7 H ATOM 55099 OH2 TIP3 933 77.709 58.133 14.540 1.00 0.00 WT7 O ATOM 55100 H1 TIP3 933 77.713 57.430 15.189 1.00 0.00 WT7 H ATOM 55101 H2 TIP3 933 76.814 58.472 14.559 1.00 0.00 WT7 H ATOM 55102 OH2 TIP3 936 39.080 85.016 10.972 1.00 0.00 WT7 O ATOM 55103 H1 TIP3 936 38.426 85.134 10.284 1.00 0.00 WT7 H ATOM 55104 H2 TIP3 936 39.864 84.718 10.510 1.00 0.00 WT7 H ATOM 55105 OH2 TIP3 940 52.813 2.010 18.483 1.00 0.00 WT7 O ATOM 55106 H1 TIP3 940 52.128 2.594 18.808 1.00 0.00 WT7 H ATOM 55107 H2 TIP3 940 53.601 2.279 18.955 1.00 0.00 WT7 H ATOM 55108 OH2 TIP3 944 65.643 16.436 40.511 1.00 0.00 WT7 O ATOM 55109 H1 TIP3 944 65.700 15.554 40.879 1.00 0.00 WT7 H ATOM 55110 H2 TIP3 944 66.240 16.423 39.764 1.00 0.00 WT7 H ATOM 55111 OH2 TIP3 954 23.391 5.920 6.942 1.00 0.00 WT7 O ATOM 55112 H1 TIP3 954 23.843 5.273 7.485 1.00 0.00 WT7 H ATOM 55113 H2 TIP3 954 22.951 5.401 6.268 1.00 0.00 WT7 H ATOM 55114 OH2 TIP3 958 40.411 69.246 26.829 1.00 0.00 WT7 O ATOM 55115 H1 TIP3 958 40.341 69.097 25.886 1.00 0.00 WT7 H ATOM 55116 H2 TIP3 958 41.341 69.419 26.976 1.00 0.00 WT7 H ATOM 55117 OH2 TIP3 960 58.362 61.863 33.562 1.00 0.00 WT7 O ATOM 55118 H1 TIP3 960 57.662 61.213 33.622 1.00 0.00 WT7 H ATOM 55119 H2 TIP3 960 58.285 62.218 32.676 1.00 0.00 WT7 H ATOM 55120 OH2 TIP3 978 57.742 22.452 21.305 1.00 0.00 WT7 O ATOM 55121 H1 TIP3 978 56.997 22.800 21.795 1.00 0.00 WT7 H ATOM 55122 H2 TIP3 978 58.321 23.205 21.182 1.00 0.00 WT7 H ATOM 55123 OH2 TIP3 981 86.807 50.447 33.483 1.00 0.00 WT7 O ATOM 55124 H1 TIP3 981 87.698 50.099 33.461 1.00 0.00 WT7 H ATOM 55125 H2 TIP3 981 86.276 49.777 33.051 1.00 0.00 WT7 H ATOM 55126 OH2 TIP3 982 47.281 48.021 49.190 1.00 0.00 WT7 O ATOM 55127 H1 TIP3 982 46.814 48.019 48.354 1.00 0.00 WT7 H ATOM 55128 H2 TIP3 982 46.702 48.496 49.787 1.00 0.00 WT7 H ATOM 55129 OH2 TIP3 983 86.348 85.943 47.466 1.00 0.00 WT7 O ATOM 55130 H1 TIP3 983 85.717 86.660 47.531 1.00 0.00 WT7 H ATOM 55131 H2 TIP3 983 86.040 85.419 46.727 1.00 0.00 WT7 H ATOM 55132 OH2 TIP3 986 41.573 92.548 28.521 1.00 0.00 WT7 O ATOM 55133 H1 TIP3 986 41.744 92.607 27.581 1.00 0.00 WT7 H ATOM 55134 H2 TIP3 986 42.431 92.665 28.928 1.00 0.00 WT7 H ATOM 55135 OH2 TIP3 993 32.481 14.378 35.920 1.00 0.00 WT7 O ATOM 55136 H1 TIP3 993 33.123 14.620 35.252 1.00 0.00 WT7 H ATOM 55137 H2 TIP3 993 31.948 13.699 35.505 1.00 0.00 WT7 H ATOM 55138 OH2 TIP3 999 60.857 10.047 8.620 1.00 0.00 WT7 O ATOM 55139 H1 TIP3 999 61.247 9.348 9.146 1.00 0.00 WT7 H ATOM 55140 H2 TIP3 999 60.633 9.625 7.790 1.00 0.00 WT7 H ATOM 55141 OH2 TIP3 1013 73.169 14.057 -9.137 1.00 0.00 WT7 O ATOM 55142 H1 TIP3 1013 72.461 14.180 -8.503 1.00 0.00 WT7 H ATOM 55143 H2 TIP3 1013 73.418 14.944 -9.395 1.00 0.00 WT7 H ATOM 55144 OH2 TIP3 1018 27.712 4.474 11.629 1.00 0.00 WT7 O ATOM 55145 H1 TIP3 1018 28.258 5.115 12.085 1.00 0.00 WT7 H ATOM 55146 H2 TIP3 1018 28.332 3.824 11.298 1.00 0.00 WT7 H ATOM 55147 OH2 TIP3 1019 64.817 52.448 17.289 1.00 0.00 WT7 O ATOM 55148 H1 TIP3 1019 64.639 51.555 16.995 1.00 0.00 WT7 H ATOM 55149 H2 TIP3 1019 64.139 52.978 16.870 1.00 0.00 WT7 H ATOM 55150 OH2 TIP3 1024 55.501 82.194 4.830 1.00 0.00 WT7 O ATOM 55151 H1 TIP3 1024 54.776 82.814 4.750 1.00 0.00 WT7 H ATOM 55152 H2 TIP3 1024 55.079 81.339 4.907 1.00 0.00 WT7 H ATOM 55153 OH2 TIP3 1025 75.901 19.514 52.240 1.00 0.00 WT7 O ATOM 55154 H1 TIP3 1025 75.743 18.570 52.227 1.00 0.00 WT7 H ATOM 55155 H2 TIP3 1025 75.549 19.828 51.407 1.00 0.00 WT7 H ATOM 55156 OH2 TIP3 1043 33.235 57.645 -8.788 1.00 0.00 WT7 O ATOM 55157 H1 TIP3 1043 32.773 57.004 -8.247 1.00 0.00 WT7 H ATOM 55158 H2 TIP3 1043 33.564 58.293 -8.165 1.00 0.00 WT7 H ATOM 55159 OH2 TIP3 1048 35.612 0.885 36.113 1.00 0.00 WT7 O ATOM 55160 H1 TIP3 1048 36.197 1.265 36.768 1.00 0.00 WT7 H ATOM 55161 H2 TIP3 1048 36.108 0.153 35.745 1.00 0.00 WT7 H ATOM 55162 OH2 TIP3 1052 67.128 76.123 8.386 1.00 0.00 WT7 O ATOM 55163 H1 TIP3 1052 67.279 75.193 8.556 1.00 0.00 WT7 H ATOM 55164 H2 TIP3 1052 66.305 76.318 8.833 1.00 0.00 WT7 H ATOM 55165 OH2 TIP3 1061 54.277 0.191 2.833 1.00 0.00 WT7 O ATOM 55166 H1 TIP3 1061 55.036 0.752 2.989 1.00 0.00 WT7 H ATOM 55167 H2 TIP3 1061 54.034 -0.131 3.701 1.00 0.00 WT7 H ATOM 55168 OH2 TIP3 1071 50.377 46.485 -1.246 1.00 0.00 WT7 O ATOM 55169 H1 TIP3 1071 49.973 47.352 -1.288 1.00 0.00 WT7 H ATOM 55170 H2 TIP3 1071 51.132 46.600 -0.668 1.00 0.00 WT7 H ATOM 55171 OH2 TIP3 1076 29.675 80.208 11.494 1.00 0.00 WT7 O ATOM 55172 H1 TIP3 1076 29.657 80.155 12.450 1.00 0.00 WT7 H ATOM 55173 H2 TIP3 1076 30.568 80.483 11.286 1.00 0.00 WT7 H ATOM 55174 OH2 TIP3 1098 64.179 13.421 39.809 1.00 0.00 WT7 O ATOM 55175 H1 TIP3 1098 65.016 13.235 40.235 1.00 0.00 WT7 H ATOM 55176 H2 TIP3 1098 63.544 12.887 40.286 1.00 0.00 WT7 H ATOM 55177 OH2 TIP3 1122 34.880 31.654 46.600 1.00 0.00 WT7 O ATOM 55178 H1 TIP3 1122 35.621 32.091 46.180 1.00 0.00 WT7 H ATOM 55179 H2 TIP3 1122 35.162 31.521 47.505 1.00 0.00 WT7 H ATOM 55180 OH2 TIP3 1138 81.068 90.707 -1.516 1.00 0.00 WT7 O ATOM 55181 H1 TIP3 1138 81.555 91.462 -1.185 1.00 0.00 WT7 H ATOM 55182 H2 TIP3 1138 81.399 90.579 -2.405 1.00 0.00 WT7 H ATOM 55183 OH2 TIP3 1253 89.651 62.094 17.111 1.00 0.00 WT7 O ATOM 55184 H1 TIP3 1253 89.772 63.039 17.205 1.00 0.00 WT7 H ATOM 55185 H2 TIP3 1253 88.838 62.005 16.614 1.00 0.00 WT7 H ATOM 55186 OH2 TIP3 1298 59.623 48.198 50.274 1.00 0.00 WT7 O ATOM 55187 H1 TIP3 1298 59.913 47.401 49.830 1.00 0.00 WT7 H ATOM 55188 H2 TIP3 1298 60.432 48.671 50.471 1.00 0.00 WT7 H ATOM 55189 OH2 TIP3 1301 32.968 69.587 62.119 1.00 0.00 WT7 O ATOM 55190 H1 TIP3 1301 32.652 68.742 62.439 1.00 0.00 WT7 H ATOM 55191 H2 TIP3 1301 33.120 70.102 62.911 1.00 0.00 WT7 H ATOM 55192 OH2 TIP3 1354 68.757 96.012 66.955 1.00 0.00 WT7 O ATOM 55193 H1 TIP3 1354 68.232 96.404 66.257 1.00 0.00 WT7 H ATOM 55194 H2 TIP3 1354 69.663 96.176 66.695 1.00 0.00 WT7 H ATOM 55195 OH2 TIP3 1370 55.777 94.720 20.322 1.00 0.00 WT7 O ATOM 55196 H1 TIP3 1370 55.144 95.438 20.352 1.00 0.00 WT7 H ATOM 55197 H2 TIP3 1370 55.261 93.956 20.063 1.00 0.00 WT7 H ATOM 55198 OH2 TIP3 1381 81.297 59.416 59.632 1.00 0.00 WT7 O ATOM 55199 H1 TIP3 1381 80.955 59.735 60.467 1.00 0.00 WT7 H ATOM 55200 H2 TIP3 1381 80.599 59.595 59.002 1.00 0.00 WT7 H ATOM 55201 OH2 TIP3 1382 30.915 89.753 48.781 1.00 0.00 WT7 O ATOM 55202 H1 TIP3 1382 31.645 90.372 48.772 1.00 0.00 WT7 H ATOM 55203 H2 TIP3 1382 30.874 89.415 47.887 1.00 0.00 WT7 H ATOM 55204 OH2 TIP3 1383 86.910 93.065 29.507 1.00 0.00 WT7 O ATOM 55205 H1 TIP3 1383 86.703 93.340 28.614 1.00 0.00 WT7 H ATOM 55206 H2 TIP3 1383 87.861 93.155 29.572 1.00 0.00 WT7 H ATOM 55207 OH2 TIP3 1387 85.680 66.525 -9.559 1.00 0.00 WT7 O ATOM 55208 H1 TIP3 1387 84.964 65.922 -9.356 1.00 0.00 WT7 H ATOM 55209 H2 TIP3 1387 86.339 65.979 -9.987 1.00 0.00 WT7 H ATOM 55210 OH2 TIP3 1395 21.065 56.763 21.646 1.00 0.00 WT7 O ATOM 55211 H1 TIP3 1395 21.816 56.920 21.074 1.00 0.00 WT7 H ATOM 55212 H2 TIP3 1395 20.668 55.961 21.307 1.00 0.00 WT7 H ATOM 55213 OH2 TIP3 1399 88.819 37.199 3.434 1.00 0.00 WT7 O ATOM 55214 H1 TIP3 1399 89.137 37.523 4.277 1.00 0.00 WT7 H ATOM 55215 H2 TIP3 1399 89.052 36.271 3.430 1.00 0.00 WT7 H ATOM 55216 OH2 TIP3 1401 83.934 49.715 -7.622 1.00 0.00 WT7 O ATOM 55217 H1 TIP3 1401 84.837 49.425 -7.492 1.00 0.00 WT7 H ATOM 55218 H2 TIP3 1401 83.892 49.966 -8.545 1.00 0.00 WT7 H ATOM 55219 OH2 TIP3 1408 50.823 76.744 46.977 1.00 0.00 WT7 O ATOM 55220 H1 TIP3 1408 51.433 76.032 46.785 1.00 0.00 WT7 H ATOM 55221 H2 TIP3 1408 49.966 76.321 47.020 1.00 0.00 WT7 H ATOM 55222 OH2 TIP3 1409 81.767 16.861 39.962 1.00 0.00 WT7 O ATOM 55223 H1 TIP3 1409 82.046 15.972 39.742 1.00 0.00 WT7 H ATOM 55224 H2 TIP3 1409 82.558 17.391 39.868 1.00 0.00 WT7 H ATOM 55225 OH2 TIP3 1414 75.072 71.130 30.390 1.00 0.00 WT7 O ATOM 55226 H1 TIP3 1414 75.277 71.201 31.322 1.00 0.00 WT7 H ATOM 55227 H2 TIP3 1414 75.626 70.415 30.077 1.00 0.00 WT7 H ATOM 55228 OH2 TIP3 1429 75.406 25.649 66.779 1.00 0.00 WT7 O ATOM 55229 H1 TIP3 1429 74.570 25.527 66.328 1.00 0.00 WT7 H ATOM 55230 H2 TIP3 1429 75.804 26.404 66.347 1.00 0.00 WT7 H ATOM 55231 OH2 TIP3 1433 88.446 3.768 57.321 1.00 0.00 WT7 O ATOM 55232 H1 TIP3 1433 88.912 3.690 58.154 1.00 0.00 WT7 H ATOM 55233 H2 TIP3 1433 87.757 4.410 57.490 1.00 0.00 WT7 H ATOM 55234 OH2 TIP3 1436 62.128 56.051 28.626 1.00 0.00 WT7 O ATOM 55235 H1 TIP3 1436 61.254 55.939 29.001 1.00 0.00 WT7 H ATOM 55236 H2 TIP3 1436 62.151 55.444 27.886 1.00 0.00 WT7 H ATOM 55237 OH2 TIP3 1440 77.504 55.850 -18.337 1.00 0.00 WT7 O ATOM 55238 H1 TIP3 1440 76.937 55.431 -17.689 1.00 0.00 WT7 H ATOM 55239 H2 TIP3 1440 77.452 56.783 -18.133 1.00 0.00 WT7 H ATOM 55240 OH2 TIP3 1445 66.700 77.809 40.732 1.00 0.00 WT7 O ATOM 55241 H1 TIP3 1445 66.903 77.969 39.810 1.00 0.00 WT7 H ATOM 55242 H2 TIP3 1445 65.890 77.299 40.714 1.00 0.00 WT7 H ATOM 55243 OH2 TIP3 1451 88.589 92.134 -15.233 1.00 0.00 WT7 O ATOM 55244 H1 TIP3 1451 88.509 91.182 -15.186 1.00 0.00 WT7 H ATOM 55245 H2 TIP3 1451 89.411 92.328 -14.782 1.00 0.00 WT7 H ATOM 55246 OH2 TIP3 1459 44.606 87.411 4.001 1.00 0.00 WT7 O ATOM 55247 H1 TIP3 1459 44.547 86.474 4.188 1.00 0.00 WT7 H ATOM 55248 H2 TIP3 1459 45.515 87.544 3.732 1.00 0.00 WT7 H ATOM 55249 OH2 TIP3 1476 20.439 27.847 58.319 1.00 0.00 WT7 O ATOM 55250 H1 TIP3 1476 20.607 28.001 57.389 1.00 0.00 WT7 H ATOM 55251 H2 TIP3 1476 21.023 28.455 58.772 1.00 0.00 WT7 H ATOM 55252 OH2 TIP3 1480 56.195 38.837 0.894 1.00 0.00 WT7 O ATOM 55253 H1 TIP3 1480 55.318 38.522 0.674 1.00 0.00 WT7 H ATOM 55254 H2 TIP3 1480 56.580 38.131 1.413 1.00 0.00 WT7 H ATOM 55255 OH2 TIP3 1486 87.910 70.770 -2.717 1.00 0.00 WT7 O ATOM 55256 H1 TIP3 1486 88.809 70.481 -2.565 1.00 0.00 WT7 H ATOM 55257 H2 TIP3 1486 87.417 69.961 -2.855 1.00 0.00 WT7 H ATOM 55258 OH2 TIP3 1509 74.566 78.839 -9.006 1.00 0.00 WT7 O ATOM 55259 H1 TIP3 1509 74.027 78.718 -9.787 1.00 0.00 WT7 H ATOM 55260 H2 TIP3 1509 73.962 78.708 -8.275 1.00 0.00 WT7 H ATOM 55261 OH2 TIP3 1518 31.123 86.616 26.806 1.00 0.00 WT7 O ATOM 55262 H1 TIP3 1518 30.810 85.828 26.362 1.00 0.00 WT7 H ATOM 55263 H2 TIP3 1518 31.891 86.325 27.299 1.00 0.00 WT7 H ATOM 55264 OH2 TIP3 1524 67.256 84.108 61.523 1.00 0.00 WT7 O ATOM 55265 H1 TIP3 1524 66.337 84.361 61.612 1.00 0.00 WT7 H ATOM 55266 H2 TIP3 1524 67.745 84.889 61.781 1.00 0.00 WT7 H ATOM 55267 OH2 TIP3 1573 81.922 87.774 51.742 1.00 0.00 WT7 O ATOM 55268 H1 TIP3 1573 82.513 87.475 52.434 1.00 0.00 WT7 H ATOM 55269 H2 TIP3 1573 82.308 87.434 50.934 1.00 0.00 WT7 H ATOM 55270 OH2 TIP3 1592 83.609 49.377 12.456 1.00 0.00 WT7 O ATOM 55271 H1 TIP3 1592 83.100 49.582 11.672 1.00 0.00 WT7 H ATOM 55272 H2 TIP3 1592 84.517 49.543 12.203 1.00 0.00 WT7 H ATOM 55273 OH2 TIP3 1618 49.653 11.537 49.841 1.00 0.00 WT7 O ATOM 55274 H1 TIP3 1618 50.066 12.210 49.300 1.00 0.00 WT7 H ATOM 55275 H2 TIP3 1618 48.774 11.875 50.015 1.00 0.00 WT7 H ATOM 55276 OH2 TIP3 1725 51.556 68.772 7.789 1.00 0.00 WT7 O ATOM 55277 H1 TIP3 1725 52.072 67.996 8.009 1.00 0.00 WT7 H ATOM 55278 H2 TIP3 1725 50.787 68.717 8.356 1.00 0.00 WT7 H ATOM 55279 OH2 TIP3 1733 63.154 62.076 30.227 1.00 0.00 WT7 O ATOM 55280 H1 TIP3 1733 62.885 61.487 30.932 1.00 0.00 WT7 H ATOM 55281 H2 TIP3 1733 62.799 61.677 29.432 1.00 0.00 WT7 H ATOM 55282 OH2 TIP3 1771 23.631 36.974 36.433 1.00 0.00 WT7 O ATOM 55283 H1 TIP3 1771 22.857 37.094 36.983 1.00 0.00 WT7 H ATOM 55284 H2 TIP3 1771 23.380 37.337 35.583 1.00 0.00 WT7 H ATOM 55285 OH2 TIP3 1775 70.208 56.391 19.367 1.00 0.00 WT7 O ATOM 55286 H1 TIP3 1775 69.419 56.483 19.901 1.00 0.00 WT7 H ATOM 55287 H2 TIP3 1775 69.882 56.270 18.475 1.00 0.00 WT7 H ATOM 55288 OH2 TIP3 1778 52.966 10.814 6.269 1.00 0.00 WT7 O ATOM 55289 H1 TIP3 1778 52.131 10.360 6.152 1.00 0.00 WT7 H ATOM 55290 H2 TIP3 1778 52.751 11.578 6.804 1.00 0.00 WT7 H ATOM 55291 OH2 TIP3 1779 44.825 48.322 66.910 1.00 0.00 WT7 O ATOM 55292 H1 TIP3 1779 45.410 49.018 67.209 1.00 0.00 WT7 H ATOM 55293 H2 TIP3 1779 44.119 48.782 66.455 1.00 0.00 WT7 H ATOM 55294 OH2 TIP3 1812 85.668 65.872 21.012 1.00 0.00 WT7 O ATOM 55295 H1 TIP3 1812 85.804 65.036 21.458 1.00 0.00 WT7 H ATOM 55296 H2 TIP3 1812 86.366 65.911 20.359 1.00 0.00 WT7 H ATOM 55297 OH2 TIP3 1849 81.617 94.819 -19.090 1.00 0.00 WT7 O ATOM 55298 H1 TIP3 1849 81.789 95.668 -18.682 1.00 0.00 WT7 H ATOM 55299 H2 TIP3 1849 82.340 94.263 -18.801 1.00 0.00 WT7 H ATOM 55300 OH2 TIP3 1853 29.690 29.187 66.160 1.00 0.00 WT7 O ATOM 55301 H1 TIP3 1853 30.534 28.859 66.471 1.00 0.00 WT7 H ATOM 55302 H2 TIP3 1853 29.315 28.454 65.671 1.00 0.00 WT7 H ATOM 55303 OH2 TIP3 1858 39.870 10.214 19.572 1.00 0.00 WT7 O ATOM 55304 H1 TIP3 1858 39.435 10.468 18.758 1.00 0.00 WT7 H ATOM 55305 H2 TIP3 1858 40.400 10.976 19.809 1.00 0.00 WT7 H ATOM 55306 OH2 TIP3 1859 69.172 95.698 26.039 1.00 0.00 WT7 O ATOM 55307 H1 TIP3 1859 68.817 95.933 26.896 1.00 0.00 WT7 H ATOM 55308 H2 TIP3 1859 69.057 94.749 25.984 1.00 0.00 WT7 H ATOM 55309 OH2 TIP3 1864 65.582 87.418 44.668 1.00 0.00 WT7 O ATOM 55310 H1 TIP3 1864 66.455 87.682 44.957 1.00 0.00 WT7 H ATOM 55311 H2 TIP3 1864 64.987 87.823 45.299 1.00 0.00 WT7 H ATOM 55312 OH2 TIP3 1879 20.919 4.307 66.084 1.00 0.00 WT7 O ATOM 55313 H1 TIP3 1879 21.066 3.977 65.198 1.00 0.00 WT7 H ATOM 55314 H2 TIP3 1879 19.984 4.173 66.238 1.00 0.00 WT7 H ATOM 55315 OH2 TIP3 1880 49.923 18.503 -12.121 1.00 0.00 WT7 O ATOM 55316 H1 TIP3 1880 49.901 18.080 -12.979 1.00 0.00 WT7 H ATOM 55317 H2 TIP3 1880 50.748 18.213 -11.732 1.00 0.00 WT7 H ATOM 55318 OH2 TIP3 1882 35.317 50.772 35.274 1.00 0.00 WT7 O ATOM 55319 H1 TIP3 1882 36.133 50.452 35.658 1.00 0.00 WT7 H ATOM 55320 H2 TIP3 1882 35.574 51.547 34.775 1.00 0.00 WT7 H ATOM 55321 OH2 TIP3 1897 77.490 56.041 22.029 1.00 0.00 WT7 O ATOM 55322 H1 TIP3 1897 77.311 55.254 22.543 1.00 0.00 WT7 H ATOM 55323 H2 TIP3 1897 76.771 56.085 21.399 1.00 0.00 WT7 H ATOM 55324 OH2 TIP3 1898 34.820 72.144 -18.385 1.00 0.00 WT7 O ATOM 55325 H1 TIP3 1898 34.744 71.210 -18.190 1.00 0.00 WT7 H ATOM 55326 H2 TIP3 1898 33.921 72.470 -18.351 1.00 0.00 WT7 H ATOM 55327 OH2 TIP3 1925 32.142 34.903 9.586 1.00 0.00 WT7 O ATOM 55328 H1 TIP3 1925 32.475 34.243 8.978 1.00 0.00 WT7 H ATOM 55329 H2 TIP3 1925 31.975 35.671 9.039 1.00 0.00 WT7 H ATOM 55330 OH2 TIP3 1949 69.201 84.680 6.575 1.00 0.00 WT7 O ATOM 55331 H1 TIP3 1949 69.164 83.771 6.871 1.00 0.00 WT7 H ATOM 55332 H2 TIP3 1949 68.444 85.098 6.985 1.00 0.00 WT7 H ATOM 55333 OH2 TIP3 1960 70.249 27.166 32.992 1.00 0.00 WT7 O ATOM 55334 H1 TIP3 1960 71.082 27.431 32.603 1.00 0.00 WT7 H ATOM 55335 H2 TIP3 1960 69.686 26.970 32.243 1.00 0.00 WT7 H ATOM 55336 OH2 TIP3 1965 67.252 86.911 41.365 1.00 0.00 WT7 O ATOM 55337 H1 TIP3 1965 66.616 86.406 41.871 1.00 0.00 WT7 H ATOM 55338 H2 TIP3 1965 67.746 87.402 42.023 1.00 0.00 WT7 H ATOM 55339 OH2 TIP3 1994 86.588 85.432 52.613 1.00 0.00 WT7 O ATOM 55340 H1 TIP3 1994 86.343 86.046 51.921 1.00 0.00 WT7 H ATOM 55341 H2 TIP3 1994 87.424 85.763 52.943 1.00 0.00 WT7 H ATOM 55342 OH2 TIP3 2127 38.773 89.342 -2.561 1.00 0.00 WT7 O ATOM 55343 H1 TIP3 2127 39.351 89.860 -3.120 1.00 0.00 WT7 H ATOM 55344 H2 TIP3 2127 38.356 89.984 -1.986 1.00 0.00 WT7 H ATOM 55345 OH2 TIP3 2231 55.019 65.301 28.285 1.00 0.00 WT7 O ATOM 55346 H1 TIP3 2231 55.701 65.270 28.955 1.00 0.00 WT7 H ATOM 55347 H2 TIP3 2231 55.070 64.450 27.850 1.00 0.00 WT7 H ATOM 55348 OH2 TIP3 2236 68.550 62.588 -11.071 1.00 0.00 WT7 O ATOM 55349 H1 TIP3 2236 69.096 61.802 -11.040 1.00 0.00 WT7 H ATOM 55350 H2 TIP3 2236 68.378 62.724 -12.002 1.00 0.00 WT7 H ATOM 55351 OH2 TIP3 2268 60.053 57.071 23.360 1.00 0.00 WT7 O ATOM 55352 H1 TIP3 2268 59.819 56.942 22.440 1.00 0.00 WT7 H ATOM 55353 H2 TIP3 2268 59.222 57.265 23.793 1.00 0.00 WT7 H ATOM 55354 OH2 TIP3 2270 86.555 2.122 60.109 1.00 0.00 WT7 O ATOM 55355 H1 TIP3 2270 87.198 1.541 60.515 1.00 0.00 WT7 H ATOM 55356 H2 TIP3 2270 85.910 2.286 60.797 1.00 0.00 WT7 H ATOM 55357 OH2 TIP3 2282 66.499 48.696 -18.202 1.00 0.00 WT7 O ATOM 55358 H1 TIP3 2282 65.928 48.361 -17.511 1.00 0.00 WT7 H ATOM 55359 H2 TIP3 2282 66.163 49.572 -18.387 1.00 0.00 WT7 H ATOM 55360 OH2 TIP3 2288 84.417 80.155 2.693 1.00 0.00 WT7 O ATOM 55361 H1 TIP3 2288 84.532 79.209 2.601 1.00 0.00 WT7 H ATOM 55362 H2 TIP3 2288 83.946 80.417 1.903 1.00 0.00 WT7 H ATOM 55363 OH2 TIP3 2293 73.008 38.614 39.506 1.00 0.00 WT7 O ATOM 55364 H1 TIP3 2293 73.524 39.224 38.978 1.00 0.00 WT7 H ATOM 55365 H2 TIP3 2293 72.220 38.455 38.988 1.00 0.00 WT7 H ATOM 55366 OH2 TIP3 2317 26.881 85.995 -18.820 1.00 0.00 WT7 O ATOM 55367 H1 TIP3 2317 26.215 86.665 -18.972 1.00 0.00 WT7 H ATOM 55368 H2 TIP3 2317 26.389 85.177 -18.753 1.00 0.00 WT7 H ATOM 55369 OH2 TIP3 2324 86.958 82.418 -19.480 1.00 0.00 WT7 O ATOM 55370 H1 TIP3 2324 86.259 82.723 -20.058 1.00 0.00 WT7 H ATOM 55371 H2 TIP3 2324 86.583 81.663 -19.028 1.00 0.00 WT7 H ATOM 55372 OH2 TIP3 2327 24.708 64.931 12.686 1.00 0.00 WT7 O ATOM 55373 H1 TIP3 2327 24.120 65.639 12.951 1.00 0.00 WT7 H ATOM 55374 H2 TIP3 2327 25.477 65.378 12.331 1.00 0.00 WT7 H ATOM 55375 OH2 TIP3 2357 23.643 55.168 16.599 1.00 0.00 WT7 O ATOM 55376 H1 TIP3 2357 24.218 55.885 16.333 1.00 0.00 WT7 H ATOM 55377 H2 TIP3 2357 23.962 54.410 16.109 1.00 0.00 WT7 H ATOM 55378 OH2 TIP3 2358 52.618 22.237 1.776 1.00 0.00 WT7 O ATOM 55379 H1 TIP3 2358 53.482 21.987 1.450 1.00 0.00 WT7 H ATOM 55380 H2 TIP3 2358 52.760 23.078 2.210 1.00 0.00 WT7 H ATOM 55381 OH2 TIP3 2408 48.399 50.551 -7.783 1.00 0.00 WT7 O ATOM 55382 H1 TIP3 2408 47.972 50.617 -6.929 1.00 0.00 WT7 H ATOM 55383 H2 TIP3 2408 48.691 51.442 -7.975 1.00 0.00 WT7 H ATOM 55384 OH2 TIP3 2411 35.864 11.802 47.881 1.00 0.00 WT7 O ATOM 55385 H1 TIP3 2411 36.576 11.182 48.040 1.00 0.00 WT7 H ATOM 55386 H2 TIP3 2411 36.262 12.662 48.013 1.00 0.00 WT7 H ATOM 55387 OH2 TIP3 2629 31.508 75.249 50.734 1.00 0.00 WT7 O ATOM 55388 H1 TIP3 2629 30.657 75.566 51.039 1.00 0.00 WT7 H ATOM 55389 H2 TIP3 2629 31.321 74.829 49.895 1.00 0.00 WT7 H ATOM 55390 OH2 TIP3 2644 65.303 22.095 1.184 1.00 0.00 WT7 O ATOM 55391 H1 TIP3 2644 66.045 22.268 1.763 1.00 0.00 WT7 H ATOM 55392 H2 TIP3 2644 65.451 21.204 0.865 1.00 0.00 WT7 H ATOM 55393 OH2 TIP3 2705 27.134 26.828 48.471 1.00 0.00 WT7 O ATOM 55394 H1 TIP3 2705 26.642 26.565 47.693 1.00 0.00 WT7 H ATOM 55395 H2 TIP3 2705 26.477 27.211 49.053 1.00 0.00 WT7 H ATOM 55396 OH2 TIP3 2714 82.911 81.217 10.155 1.00 0.00 WT7 O ATOM 55397 H1 TIP3 2714 82.677 80.304 10.318 1.00 0.00 WT7 H ATOM 55398 H2 TIP3 2714 83.322 81.509 10.969 1.00 0.00 WT7 H ATOM 55399 OH2 TIP3 2759 78.025 83.370 64.222 1.00 0.00 WT7 O ATOM 55400 H1 TIP3 2759 77.669 82.486 64.134 1.00 0.00 WT7 H ATOM 55401 H2 TIP3 2759 77.255 83.938 64.252 1.00 0.00 WT7 H ATOM 55402 OH2 TIP3 2780 68.750 65.651 12.893 1.00 0.00 WT7 O ATOM 55403 H1 TIP3 2780 68.841 65.887 11.970 1.00 0.00 WT7 H ATOM 55404 H2 TIP3 2780 68.554 64.714 12.883 1.00 0.00 WT7 H ATOM 55405 OH2 TIP3 2855 54.504 3.626 13.215 1.00 0.00 WT7 O ATOM 55406 H1 TIP3 2855 54.909 2.996 13.810 1.00 0.00 WT7 H ATOM 55407 H2 TIP3 2855 53.673 3.851 13.634 1.00 0.00 WT7 H ATOM 55408 OH2 TIP3 2872 34.853 91.934 43.729 1.00 0.00 WT7 O ATOM 55409 H1 TIP3 2872 34.445 91.103 43.485 1.00 0.00 WT7 H ATOM 55410 H2 TIP3 2872 35.570 92.041 43.105 1.00 0.00 WT7 H ATOM 55411 OH2 TIP3 2895 32.810 95.204 6.533 1.00 0.00 WT7 O ATOM 55412 H1 TIP3 2895 33.586 95.289 7.087 1.00 0.00 WT7 H ATOM 55413 H2 TIP3 2895 32.984 95.776 5.786 1.00 0.00 WT7 H ATOM 55414 OH2 TIP3 3287 21.486 88.722 2.781 1.00 0.00 WT7 O ATOM 55415 H1 TIP3 3287 21.796 87.953 2.302 1.00 0.00 WT7 H ATOM 55416 H2 TIP3 3287 20.664 88.439 3.182 1.00 0.00 WT7 H ATOM 55417 OH2 TIP3 3294 47.616 76.249 62.301 1.00 0.00 WT7 O ATOM 55418 H1 TIP3 3294 48.179 75.910 61.604 1.00 0.00 WT7 H ATOM 55419 H2 TIP3 3294 47.513 75.513 62.905 1.00 0.00 WT7 H ATOM 55420 OH2 TIP3 3521 61.959 82.549 40.073 1.00 0.00 WT7 O ATOM 55421 H1 TIP3 3521 62.739 82.540 39.519 1.00 0.00 WT7 H ATOM 55422 H2 TIP3 3521 62.238 82.130 40.887 1.00 0.00 WT7 H ATOM 55423 OH2 TIP3 3665 65.666 74.947 18.472 1.00 0.00 WT7 O ATOM 55424 H1 TIP3 3665 65.739 75.618 17.794 1.00 0.00 WT7 H ATOM 55425 H2 TIP3 3665 65.496 74.137 17.991 1.00 0.00 WT7 H ATOM 55426 OH2 TIP3 5421 30.476 56.966 35.140 1.00 0.00 WT7 O ATOM 55427 H1 TIP3 5421 30.666 57.813 35.544 1.00 0.00 WT7 H ATOM 55428 H2 TIP3 5421 30.353 57.165 34.212 1.00 0.00 WT7 H ATOM 55429 OH2 TIP3 6240 55.040 40.529 43.664 1.00 0.00 WT7 O ATOM 55430 H1 TIP3 6240 54.398 41.238 43.629 1.00 0.00 WT7 H ATOM 55431 H2 TIP3 6240 55.133 40.244 42.755 1.00 0.00 WT7 H ATOM 55432 OH2 TIP3 6350 62.731 64.920 30.200 1.00 0.00 WT7 O ATOM 55433 H1 TIP3 6350 62.692 64.024 30.534 1.00 0.00 WT7 H ATOM 55434 H2 TIP3 6350 61.901 65.040 29.737 1.00 0.00 WT7 H ATOM 55435 OH2 TIP3 6628 47.317 13.273 23.332 1.00 0.00 WT7 O ATOM 55436 H1 TIP3 6628 47.735 14.097 23.081 1.00 0.00 WT7 H ATOM 55437 H2 TIP3 6628 46.391 13.401 23.123 1.00 0.00 WT7 H ATOM 55438 OH2 TIP3 6650 83.096 28.583 51.769 1.00 0.00 WT7 O ATOM 55439 H1 TIP3 6650 84.042 28.620 51.625 1.00 0.00 WT7 H ATOM 55440 H2 TIP3 6650 82.823 29.500 51.805 1.00 0.00 WT7 H ATOM 55441 OH2 TIP3 6671 27.809 51.459 61.295 1.00 0.00 WT7 O ATOM 55442 H1 TIP3 6671 28.026 52.082 61.988 1.00 0.00 WT7 H ATOM 55443 H2 TIP3 6671 27.092 51.874 60.814 1.00 0.00 WT7 H ATOM 55444 OH2 TIP3 6751 58.701 84.634 64.666 1.00 0.00 WT7 O ATOM 55445 H1 TIP3 6751 57.750 84.655 64.769 1.00 0.00 WT7 H ATOM 55446 H2 TIP3 6751 58.943 83.727 64.855 1.00 0.00 WT7 H ATOM 55447 OH2 TIP3 6773 41.561 20.802 25.907 1.00 0.00 WT7 O ATOM 55448 H1 TIP3 6773 42.236 21.213 25.367 1.00 0.00 WT7 H ATOM 55449 H2 TIP3 6773 41.313 20.014 25.422 1.00 0.00 WT7 H ATOM 55450 OH2 TIP3 7027 68.887 40.690 -8.462 1.00 0.00 WT7 O ATOM 55451 H1 TIP3 7027 68.380 41.368 -8.016 1.00 0.00 WT7 H ATOM 55452 H2 TIP3 7027 68.603 40.737 -9.374 1.00 0.00 WT7 H ATOM 55453 OH2 TIP3 7114 45.979 46.703 -17.823 1.00 0.00 WT7 O ATOM 55454 H1 TIP3 7114 46.559 46.233 -18.423 1.00 0.00 WT7 H ATOM 55455 H2 TIP3 7114 45.557 47.366 -18.369 1.00 0.00 WT7 H ATOM 55456 OH2 TIP3 7133 66.499 88.755 10.087 1.00 0.00 WT7 O ATOM 55457 H1 TIP3 7133 66.370 88.802 11.034 1.00 0.00 WT7 H ATOM 55458 H2 TIP3 7133 65.657 89.017 9.716 1.00 0.00 WT7 H ATOM 55459 OH2 TIP3 7165 66.417 28.350 2.553 1.00 0.00 WT7 O ATOM 55460 H1 TIP3 7165 66.775 29.159 2.920 1.00 0.00 WT7 H ATOM 55461 H2 TIP3 7165 65.513 28.568 2.327 1.00 0.00 WT7 H ATOM 55462 OH2 TIP3 7214 72.896 23.502 1.813 1.00 0.00 WT7 O ATOM 55463 H1 TIP3 7214 73.798 23.690 1.556 1.00 0.00 WT7 H ATOM 55464 H2 TIP3 7214 72.512 24.361 1.989 1.00 0.00 WT7 H ATOM 55465 OH2 TIP3 7295 24.750 75.072 61.583 1.00 0.00 WT7 O ATOM 55466 H1 TIP3 7295 25.232 75.485 62.301 1.00 0.00 WT7 H ATOM 55467 H2 TIP3 7295 25.064 75.518 60.796 1.00 0.00 WT7 H ATOM 55468 OH2 TIP3 7532 32.409 85.206 -15.382 1.00 0.00 WT7 O ATOM 55469 H1 TIP3 7532 32.984 85.341 -16.135 1.00 0.00 WT7 H ATOM 55470 H2 TIP3 7532 32.628 85.918 -14.782 1.00 0.00 WT7 H ATOM 55471 OH2 TIP3 7537 48.143 37.085 -10.380 1.00 0.00 WT7 O ATOM 55472 H1 TIP3 7537 47.944 36.772 -9.497 1.00 0.00 WT7 H ATOM 55473 H2 TIP3 7537 47.328 36.962 -10.867 1.00 0.00 WT7 H ATOM 55474 OH2 TIP3 7563 49.178 88.406 -16.252 1.00 0.00 WT7 O ATOM 55475 H1 TIP3 7563 48.566 88.050 -15.607 1.00 0.00 WT7 H ATOM 55476 H2 TIP3 7563 49.621 87.638 -16.612 1.00 0.00 WT7 H ATOM 55477 OH2 TIP3 7568 37.480 78.351 55.013 1.00 0.00 WT7 O ATOM 55478 H1 TIP3 7568 38.159 78.551 55.657 1.00 0.00 WT7 H ATOM 55479 H2 TIP3 7568 37.109 79.203 54.783 1.00 0.00 WT7 H ATOM 55480 OH2 TIP3 7576 63.583 54.353 -3.308 1.00 0.00 WT7 O ATOM 55481 H1 TIP3 7576 63.535 55.305 -3.219 1.00 0.00 WT7 H ATOM 55482 H2 TIP3 7576 63.604 54.029 -2.407 1.00 0.00 WT7 H ATOM 55483 OH2 TIP3 7583 56.689 38.830 37.084 1.00 0.00 WT7 O ATOM 55484 H1 TIP3 7583 56.123 39.601 37.044 1.00 0.00 WT7 H ATOM 55485 H2 TIP3 7583 56.386 38.273 36.368 1.00 0.00 WT7 H ATOM 55486 OH2 TIP3 7592 31.089 78.381 40.795 1.00 0.00 WT7 O ATOM 55487 H1 TIP3 7592 31.198 78.253 39.853 1.00 0.00 WT7 H ATOM 55488 H2 TIP3 7592 31.723 79.061 41.020 1.00 0.00 WT7 H ATOM 55489 OH2 TIP3 7607 61.132 49.061 -16.423 1.00 0.00 WT7 O ATOM 55490 H1 TIP3 7607 61.537 48.921 -15.566 1.00 0.00 WT7 H ATOM 55491 H2 TIP3 7607 61.303 49.981 -16.622 1.00 0.00 WT7 H ATOM 55492 OH2 TIP3 7630 75.459 45.585 43.185 1.00 0.00 WT7 O ATOM 55493 H1 TIP3 7630 75.980 46.025 43.857 1.00 0.00 WT7 H ATOM 55494 H2 TIP3 7630 75.635 46.078 42.384 1.00 0.00 WT7 H ATOM 55495 OH2 TIP3 7631 58.965 43.095 -9.271 1.00 0.00 WT7 O ATOM 55496 H1 TIP3 7631 59.462 42.757 -8.526 1.00 0.00 WT7 H ATOM 55497 H2 TIP3 7631 58.081 42.750 -9.146 1.00 0.00 WT7 H ATOM 55498 OH2 TIP3 7634 40.673 13.549 51.732 1.00 0.00 WT7 O ATOM 55499 H1 TIP3 7634 40.110 13.906 52.420 1.00 0.00 WT7 H ATOM 55500 H2 TIP3 7634 41.302 14.247 51.550 1.00 0.00 WT7 H ATOM 55501 OH2 TIP3 7642 78.065 85.169 52.646 1.00 0.00 WT7 O ATOM 55502 H1 TIP3 7642 78.270 86.099 52.544 1.00 0.00 WT7 H ATOM 55503 H2 TIP3 7642 77.648 84.924 51.819 1.00 0.00 WT7 H ATOM 55504 OH2 TIP3 7647 52.044 0.889 -2.404 1.00 0.00 WT7 O ATOM 55505 H1 TIP3 7647 52.336 0.004 -2.621 1.00 0.00 WT7 H ATOM 55506 H2 TIP3 7647 52.183 0.962 -1.459 1.00 0.00 WT7 H ATOM 55507 OH2 TIP3 7650 27.371 17.454 53.594 1.00 0.00 WT7 O ATOM 55508 H1 TIP3 7650 27.955 17.866 52.957 1.00 0.00 WT7 H ATOM 55509 H2 TIP3 7650 27.958 17.074 54.247 1.00 0.00 WT7 H ATOM 55510 OH2 TIP3 7661 62.060 77.362 -11.656 1.00 0.00 WT7 O ATOM 55511 H1 TIP3 7661 62.555 77.530 -10.854 1.00 0.00 WT7 H ATOM 55512 H2 TIP3 7661 62.283 76.462 -11.892 1.00 0.00 WT7 H ATOM 55513 OH2 TIP3 7707 51.887 41.031 -12.024 1.00 0.00 WT7 O ATOM 55514 H1 TIP3 7707 51.818 40.647 -11.150 1.00 0.00 WT7 H ATOM 55515 H2 TIP3 7707 51.064 40.800 -12.453 1.00 0.00 WT7 H ATOM 55516 OH2 TIP3 7739 37.337 56.633 3.130 1.00 0.00 WT7 O ATOM 55517 H1 TIP3 7739 38.172 56.196 2.960 1.00 0.00 WT7 H ATOM 55518 H2 TIP3 7739 37.567 57.387 3.672 1.00 0.00 WT7 H ATOM 55519 OH2 TIP3 7876 50.096 30.815 4.085 1.00 0.00 WT7 O ATOM 55520 H1 TIP3 7876 50.219 31.442 4.797 1.00 0.00 WT7 H ATOM 55521 H2 TIP3 7876 50.447 29.992 4.426 1.00 0.00 WT7 H ATOM 55522 OH2 TIP3 7951 78.729 68.646 21.935 1.00 0.00 WT7 O ATOM 55523 H1 TIP3 7951 78.187 68.775 21.157 1.00 0.00 WT7 H ATOM 55524 H2 TIP3 7951 78.292 67.945 22.418 1.00 0.00 WT7 H ATOM 55525 OH2 TIP3 7961 36.903 95.781 5.950 1.00 0.00 WT7 O ATOM 55526 H1 TIP3 7961 36.088 95.748 6.452 1.00 0.00 WT7 H ATOM 55527 H2 TIP3 7961 36.757 95.185 5.216 1.00 0.00 WT7 H ATOM 55528 OH2 TIP3 7978 64.145 13.789 37.074 1.00 0.00 WT7 O ATOM 55529 H1 TIP3 7978 64.917 14.353 37.100 1.00 0.00 WT7 H ATOM 55530 H2 TIP3 7978 64.023 13.506 37.981 1.00 0.00 WT7 H ATOM 55531 OH2 TIP3 7985 26.787 15.984 -12.334 1.00 0.00 WT7 O ATOM 55532 H1 TIP3 7985 27.555 16.160 -12.878 1.00 0.00 WT7 H ATOM 55533 H2 TIP3 7985 26.385 15.211 -12.731 1.00 0.00 WT7 H ATOM 55534 OH2 TIP3 7997 43.876 88.670 43.186 1.00 0.00 WT7 O ATOM 55535 H1 TIP3 7997 43.174 88.615 43.835 1.00 0.00 WT7 H ATOM 55536 H2 TIP3 7997 43.422 88.681 42.343 1.00 0.00 WT7 H ATOM 55537 OH2 TIP3 7998 35.226 0.792 -10.290 1.00 0.00 WT7 O ATOM 55538 H1 TIP3 7998 34.426 1.242 -10.019 1.00 0.00 WT7 H ATOM 55539 H2 TIP3 7998 35.594 1.350 -10.975 1.00 0.00 WT7 H ATOM 55540 OH2 TIP3 8009 50.276 28.329 29.163 1.00 0.00 WT7 O ATOM 55541 H1 TIP3 8009 49.442 28.798 29.204 1.00 0.00 WT7 H ATOM 55542 H2 TIP3 8009 50.557 28.418 28.253 1.00 0.00 WT7 H ATOM 55543 OH2 TIP3 8014 72.152 91.366 24.741 1.00 0.00 WT7 O ATOM 55544 H1 TIP3 8014 71.541 90.876 25.291 1.00 0.00 WT7 H ATOM 55545 H2 TIP3 8014 72.583 90.698 24.207 1.00 0.00 WT7 H ATOM 55546 OH2 TIP3 8023 22.664 80.264 8.923 1.00 0.00 WT7 O ATOM 55547 H1 TIP3 8023 23.408 79.867 9.375 1.00 0.00 WT7 H ATOM 55548 H2 TIP3 8023 21.901 79.991 9.432 1.00 0.00 WT7 H ATOM 55549 OH2 TIP3 8024 64.386 9.001 38.682 1.00 0.00 WT7 O ATOM 55550 H1 TIP3 8024 64.434 9.007 37.726 1.00 0.00 WT7 H ATOM 55551 H2 TIP3 8024 63.459 9.137 38.877 1.00 0.00 WT7 H ATOM 55552 OH2 TIP3 8031 69.661 59.711 -4.915 1.00 0.00 WT7 O ATOM 55553 H1 TIP3 8031 68.862 59.850 -4.408 1.00 0.00 WT7 H ATOM 55554 H2 TIP3 8031 69.359 59.328 -5.739 1.00 0.00 WT7 H ATOM 55555 OH2 TIP3 8034 52.474 63.179 47.184 1.00 0.00 WT7 O ATOM 55556 H1 TIP3 8034 52.770 63.706 46.442 1.00 0.00 WT7 H ATOM 55557 H2 TIP3 8034 53.175 62.542 47.321 1.00 0.00 WT7 H ATOM 55558 OH2 TIP3 8046 55.697 86.675 28.609 1.00 0.00 WT7 O ATOM 55559 H1 TIP3 8046 54.990 86.103 28.309 1.00 0.00 WT7 H ATOM 55560 H2 TIP3 8046 55.254 87.475 28.892 1.00 0.00 WT7 H ATOM 55561 OH2 TIP3 8064 46.602 80.939 -16.671 1.00 0.00 WT7 O ATOM 55562 H1 TIP3 8064 46.150 80.172 -17.021 1.00 0.00 WT7 H ATOM 55563 H2 TIP3 8064 46.330 81.659 -17.240 1.00 0.00 WT7 H ATOM 55564 OH2 TIP3 8067 67.188 82.683 45.414 1.00 0.00 WT7 O ATOM 55565 H1 TIP3 8067 66.340 82.395 45.078 1.00 0.00 WT7 H ATOM 55566 H2 TIP3 8067 67.231 82.321 46.299 1.00 0.00 WT7 H ATOM 55567 OH2 TIP3 8068 77.536 83.703 6.913 1.00 0.00 WT7 O ATOM 55568 H1 TIP3 8068 77.039 82.911 6.709 1.00 0.00 WT7 H ATOM 55569 H2 TIP3 8068 78.041 83.880 6.120 1.00 0.00 WT7 H ATOM 55570 OH2 TIP3 8079 88.578 52.845 14.367 1.00 0.00 WT7 O ATOM 55571 H1 TIP3 8079 89.516 52.699 14.242 1.00 0.00 WT7 H ATOM 55572 H2 TIP3 8079 88.529 53.538 15.025 1.00 0.00 WT7 H ATOM 55573 OH2 TIP3 8123 38.225 65.748 1.297 1.00 0.00 WT7 O ATOM 55574 H1 TIP3 8123 37.503 66.333 1.069 1.00 0.00 WT7 H ATOM 55575 H2 TIP3 8123 38.802 66.281 1.844 1.00 0.00 WT7 H ATOM 55576 OH2 TIP3 8133 26.065 60.711 -6.398 1.00 0.00 WT7 O ATOM 55577 H1 TIP3 8133 25.182 60.610 -6.754 1.00 0.00 WT7 H ATOM 55578 H2 TIP3 8133 26.024 61.514 -5.879 1.00 0.00 WT7 H ATOM 55579 OH2 TIP3 8161 69.001 10.240 39.202 1.00 0.00 WT7 O ATOM 55580 H1 TIP3 8161 69.576 9.985 38.480 1.00 0.00 WT7 H ATOM 55581 H2 TIP3 8161 68.124 10.241 38.821 1.00 0.00 WT7 H ATOM 55582 OH2 TIP3 8174 34.564 58.212 32.209 1.00 0.00 WT7 O ATOM 55583 H1 TIP3 8174 35.401 57.856 31.909 1.00 0.00 WT7 H ATOM 55584 H2 TIP3 8174 34.024 58.251 31.420 1.00 0.00 WT7 H ATOM 55585 OH2 TIP3 8183 40.177 4.360 1.676 1.00 0.00 WT7 O ATOM 55586 H1 TIP3 8183 39.436 4.510 2.264 1.00 0.00 WT7 H ATOM 55587 H2 TIP3 8183 39.841 3.753 1.017 1.00 0.00 WT7 H ATOM 55588 OH2 TIP3 8270 88.147 5.112 52.289 1.00 0.00 WT7 O ATOM 55589 H1 TIP3 8270 88.837 4.451 52.243 1.00 0.00 WT7 H ATOM 55590 H2 TIP3 8270 87.373 4.631 52.583 1.00 0.00 WT7 H ATOM 55591 OH2 TIP3 8290 36.671 20.746 48.407 1.00 0.00 WT7 O ATOM 55592 H1 TIP3 8290 36.479 21.203 49.226 1.00 0.00 WT7 H ATOM 55593 H2 TIP3 8290 37.606 20.549 48.455 1.00 0.00 WT7 H ATOM 55594 OH2 TIP3 8309 82.999 57.532 28.994 1.00 0.00 WT7 O ATOM 55595 H1 TIP3 8309 83.269 57.709 28.092 1.00 0.00 WT7 H ATOM 55596 H2 TIP3 8309 83.729 57.844 29.528 1.00 0.00 WT7 H ATOM 55597 OH2 TIP3 8375 23.232 72.167 16.691 1.00 0.00 WT7 O ATOM 55598 H1 TIP3 8375 23.682 71.421 17.088 1.00 0.00 WT7 H ATOM 55599 H2 TIP3 8375 23.798 72.916 16.879 1.00 0.00 WT7 H ATOM 55600 OH2 TIP3 8376 36.450 3.465 10.678 1.00 0.00 WT7 O ATOM 55601 H1 TIP3 8376 35.562 3.757 10.882 1.00 0.00 WT7 H ATOM 55602 H2 TIP3 8376 36.959 3.680 11.460 1.00 0.00 WT7 H ATOM 55603 OH2 TIP3 8393 21.619 71.663 33.792 1.00 0.00 WT7 O ATOM 55604 H1 TIP3 8393 21.272 71.044 33.150 1.00 0.00 WT7 H ATOM 55605 H2 TIP3 8393 20.895 71.810 34.401 1.00 0.00 WT7 H ATOM 55606 OH2 TIP3 8395 39.223 93.634 -2.474 1.00 0.00 WT7 O ATOM 55607 H1 TIP3 8395 38.473 93.741 -3.058 1.00 0.00 WT7 H ATOM 55608 H2 TIP3 8395 39.204 94.411 -1.914 1.00 0.00 WT7 H ATOM 55609 OH2 TIP3 8403 23.173 51.581 -19.223 1.00 0.00 WT7 O ATOM 55610 H1 TIP3 8403 22.935 50.685 -18.987 1.00 0.00 WT7 H ATOM 55611 H2 TIP3 8403 23.999 51.494 -19.698 1.00 0.00 WT7 H ATOM 55612 OH2 TIP3 8408 23.728 85.327 49.840 1.00 0.00 WT7 O ATOM 55613 H1 TIP3 8408 24.607 85.344 50.219 1.00 0.00 WT7 H ATOM 55614 H2 TIP3 8408 23.873 85.188 48.904 1.00 0.00 WT7 H ATOM 55615 OH2 TIP3 8411 59.026 83.389 0.319 1.00 0.00 WT7 O ATOM 55616 H1 TIP3 8411 58.696 82.490 0.337 1.00 0.00 WT7 H ATOM 55617 H2 TIP3 8411 58.773 83.754 1.167 1.00 0.00 WT7 H ATOM 55618 OH2 TIP3 8414 79.069 87.836 45.198 1.00 0.00 WT7 O ATOM 55619 H1 TIP3 8414 79.412 87.119 44.665 1.00 0.00 WT7 H ATOM 55620 H2 TIP3 8414 78.281 88.122 44.737 1.00 0.00 WT7 H ATOM 55621 OH2 TIP3 8419 64.357 57.044 -8.198 1.00 0.00 WT7 O ATOM 55622 H1 TIP3 8419 65.207 56.633 -8.039 1.00 0.00 WT7 H ATOM 55623 H2 TIP3 8419 64.092 57.385 -7.344 1.00 0.00 WT7 H ATOM 55624 OH2 TIP3 8425 37.206 57.029 28.320 1.00 0.00 WT7 O ATOM 55625 H1 TIP3 8425 37.496 57.939 28.381 1.00 0.00 WT7 H ATOM 55626 H2 TIP3 8425 37.973 56.515 28.574 1.00 0.00 WT7 H ATOM 55627 OH2 TIP3 8440 54.374 54.893 -13.714 1.00 0.00 WT7 O ATOM 55628 H1 TIP3 8440 53.631 54.959 -13.114 1.00 0.00 WT7 H ATOM 55629 H2 TIP3 8440 54.449 55.766 -14.099 1.00 0.00 WT7 H ATOM 55630 OH2 TIP3 8448 45.147 91.528 23.540 1.00 0.00 WT7 O ATOM 55631 H1 TIP3 8448 44.563 91.011 24.095 1.00 0.00 WT7 H ATOM 55632 H2 TIP3 8448 45.924 91.675 24.080 1.00 0.00 WT7 H ATOM 55633 OH2 TIP3 8452 76.273 95.179 -15.791 1.00 0.00 WT7 O ATOM 55634 H1 TIP3 8452 76.126 95.893 -16.412 1.00 0.00 WT7 H ATOM 55635 H2 TIP3 8452 76.585 95.613 -14.997 1.00 0.00 WT7 H ATOM 55636 OH2 TIP3 8459 33.799 16.353 46.756 1.00 0.00 WT7 O ATOM 55637 H1 TIP3 8459 33.900 17.218 46.359 1.00 0.00 WT7 H ATOM 55638 H2 TIP3 8459 34.502 15.829 46.372 1.00 0.00 WT7 H ATOM 55639 OH2 TIP3 8466 20.985 92.706 34.331 1.00 0.00 WT7 O ATOM 55640 H1 TIP3 8466 21.655 92.026 34.397 1.00 0.00 WT7 H ATOM 55641 H2 TIP3 8466 20.698 92.849 35.233 1.00 0.00 WT7 H ATOM 55642 OH2 TIP3 8468 69.413 60.083 -15.480 1.00 0.00 WT7 O ATOM 55643 H1 TIP3 8468 70.146 59.489 -15.638 1.00 0.00 WT7 H ATOM 55644 H2 TIP3 8468 69.036 60.235 -16.347 1.00 0.00 WT7 H ATOM 55645 OH2 TIP3 8492 83.876 92.291 25.216 1.00 0.00 WT7 O ATOM 55646 H1 TIP3 8492 84.082 92.307 24.282 1.00 0.00 WT7 H ATOM 55647 H2 TIP3 8492 82.975 92.612 25.268 1.00 0.00 WT7 H ATOM 55648 OH2 TIP3 8500 80.820 86.571 61.648 1.00 0.00 WT7 O ATOM 55649 H1 TIP3 8500 79.891 86.499 61.426 1.00 0.00 WT7 H ATOM 55650 H2 TIP3 8500 81.272 86.113 60.939 1.00 0.00 WT7 H ATOM 55651 OH2 TIP3 8518 87.663 52.365 63.769 1.00 0.00 WT7 O ATOM 55652 H1 TIP3 8518 87.997 52.597 64.636 1.00 0.00 WT7 H ATOM 55653 H2 TIP3 8518 88.381 51.885 63.356 1.00 0.00 WT7 H ATOM 55654 OH2 TIP3 8520 84.318 52.862 26.199 1.00 0.00 WT7 O ATOM 55655 H1 TIP3 8520 83.365 52.780 26.234 1.00 0.00 WT7 H ATOM 55656 H2 TIP3 8520 84.545 53.365 26.981 1.00 0.00 WT7 H ATOM 55657 OH2 TIP3 8534 80.472 87.241 10.078 1.00 0.00 WT7 O ATOM 55658 H1 TIP3 8534 80.041 86.838 9.324 1.00 0.00 WT7 H ATOM 55659 H2 TIP3 8534 81.380 86.945 10.021 1.00 0.00 WT7 H ATOM 55660 OH2 TIP3 8536 78.198 78.852 24.665 1.00 0.00 WT7 O ATOM 55661 H1 TIP3 8536 77.863 78.086 25.131 1.00 0.00 WT7 H ATOM 55662 H2 TIP3 8536 78.991 79.095 25.142 1.00 0.00 WT7 H ATOM 55663 OH2 TIP3 8537 88.457 86.528 59.879 1.00 0.00 WT7 O ATOM 55664 H1 TIP3 8537 88.107 87.112 59.206 1.00 0.00 WT7 H ATOM 55665 H2 TIP3 8537 87.712 85.984 60.135 1.00 0.00 WT7 H ATOM 55666 OH2 TIP3 8549 63.864 90.895 -5.907 1.00 0.00 WT7 O ATOM 55667 H1 TIP3 8549 62.929 90.728 -6.025 1.00 0.00 WT7 H ATOM 55668 H2 TIP3 8549 63.965 91.035 -4.965 1.00 0.00 WT7 H ATOM 55669 OH2 TIP3 8556 59.999 14.613 19.677 1.00 0.00 WT7 O ATOM 55670 H1 TIP3 8556 60.318 13.828 20.123 1.00 0.00 WT7 H ATOM 55671 H2 TIP3 8556 60.710 14.857 19.085 1.00 0.00 WT7 H ATOM 55672 OH2 TIP3 8558 45.023 30.511 57.436 1.00 0.00 WT7 O ATOM 55673 H1 TIP3 8558 45.471 31.041 58.096 1.00 0.00 WT7 H ATOM 55674 H2 TIP3 8558 44.199 30.257 57.851 1.00 0.00 WT7 H ATOM 55675 OH2 TIP3 8560 57.461 4.160 64.260 1.00 0.00 WT7 O ATOM 55676 H1 TIP3 8560 57.616 4.314 65.192 1.00 0.00 WT7 H ATOM 55677 H2 TIP3 8560 58.175 3.582 63.991 1.00 0.00 WT7 H ATOM 55678 OH2 TIP3 8566 72.781 54.493 -11.148 1.00 0.00 WT7 O ATOM 55679 H1 TIP3 8566 73.079 54.841 -11.989 1.00 0.00 WT7 H ATOM 55680 H2 TIP3 8566 72.352 53.666 -11.370 1.00 0.00 WT7 H ATOM 55681 OH2 TIP3 8567 90.630 22.389 -1.155 1.00 0.00 WT7 O ATOM 55682 H1 TIP3 8567 89.838 22.500 -1.680 1.00 0.00 WT7 H ATOM 55683 H2 TIP3 8567 90.712 23.208 -0.667 1.00 0.00 WT7 H ATOM 55684 OH2 TIP3 8574 37.143 30.878 54.183 1.00 0.00 WT7 O ATOM 55685 H1 TIP3 8574 37.835 30.326 53.820 1.00 0.00 WT7 H ATOM 55686 H2 TIP3 8574 36.716 30.327 54.839 1.00 0.00 WT7 H ATOM 55687 OH2 TIP3 8585 81.894 7.411 55.828 1.00 0.00 WT7 O ATOM 55688 H1 TIP3 8585 82.426 8.206 55.795 1.00 0.00 WT7 H ATOM 55689 H2 TIP3 8585 81.639 7.331 56.747 1.00 0.00 WT7 H ATOM 55690 OH2 TIP3 8600 65.907 7.004 64.604 1.00 0.00 WT7 O ATOM 55691 H1 TIP3 8600 66.112 6.179 64.165 1.00 0.00 WT7 H ATOM 55692 H2 TIP3 8600 64.961 6.971 64.747 1.00 0.00 WT7 H ATOM 55693 OH2 TIP3 8626 67.341 4.657 31.671 1.00 0.00 WT7 O ATOM 55694 H1 TIP3 8626 66.628 4.090 31.965 1.00 0.00 WT7 H ATOM 55695 H2 TIP3 8626 67.678 4.229 30.883 1.00 0.00 WT7 H ATOM 55696 OH2 TIP3 8645 21.858 68.729 35.626 1.00 0.00 WT7 O ATOM 55697 H1 TIP3 8645 22.519 68.296 35.086 1.00 0.00 WT7 H ATOM 55698 H2 TIP3 8645 21.046 68.645 35.126 1.00 0.00 WT7 H ATOM 55699 OH2 TIP3 8813 30.648 29.762 61.967 1.00 0.00 WT7 O ATOM 55700 H1 TIP3 8813 31.211 29.063 62.301 1.00 0.00 WT7 H ATOM 55701 H2 TIP3 8813 31.160 30.170 61.269 1.00 0.00 WT7 H ATOM 55702 OH2 TIP3 8822 52.195 80.084 56.907 1.00 0.00 WT7 O ATOM 55703 H1 TIP3 8822 52.924 80.111 57.526 1.00 0.00 WT7 H ATOM 55704 H2 TIP3 8822 52.484 79.481 56.222 1.00 0.00 WT7 H ATOM 55705 OH2 TIP3 8824 85.489 87.068 56.443 1.00 0.00 WT7 O ATOM 55706 H1 TIP3 8824 85.682 87.483 55.602 1.00 0.00 WT7 H ATOM 55707 H2 TIP3 8824 86.226 87.309 57.004 1.00 0.00 WT7 H ATOM 55708 OH2 TIP3 8829 21.002 4.962 45.987 1.00 0.00 WT7 O ATOM 55709 H1 TIP3 8829 20.843 4.546 46.834 1.00 0.00 WT7 H ATOM 55710 H2 TIP3 8829 21.956 4.979 45.903 1.00 0.00 WT7 H ATOM 55711 OH2 TIP3 8833 34.298 45.263 56.121 1.00 0.00 WT7 O ATOM 55712 H1 TIP3 8833 35.137 45.552 55.763 1.00 0.00 WT7 H ATOM 55713 H2 TIP3 8833 33.656 45.866 55.746 1.00 0.00 WT7 H ATOM 55714 OH2 TIP3 8838 64.889 6.978 46.259 1.00 0.00 WT7 O ATOM 55715 H1 TIP3 8838 63.981 6.785 46.026 1.00 0.00 WT7 H ATOM 55716 H2 TIP3 8838 65.392 6.743 45.479 1.00 0.00 WT7 H ATOM 55717 OH2 TIP3 8845 46.374 66.757 0.502 1.00 0.00 WT7 O ATOM 55718 H1 TIP3 8845 47.062 66.503 1.118 1.00 0.00 WT7 H ATOM 55719 H2 TIP3 8845 45.833 65.973 0.410 1.00 0.00 WT7 H ATOM 55720 OH2 TIP3 8855 35.821 16.811 53.682 1.00 0.00 WT7 O ATOM 55721 H1 TIP3 8855 36.372 17.594 53.675 1.00 0.00 WT7 H ATOM 55722 H2 TIP3 8855 36.216 16.234 53.028 1.00 0.00 WT7 H ATOM 55723 OH2 TIP3 8864 82.738 54.605 39.788 1.00 0.00 WT7 O ATOM 55724 H1 TIP3 8864 82.259 55.341 40.168 1.00 0.00 WT7 H ATOM 55725 H2 TIP3 8864 82.118 54.203 39.180 1.00 0.00 WT7 H ATOM 55726 OH2 TIP3 8870 62.890 4.724 18.193 1.00 0.00 WT7 O ATOM 55727 H1 TIP3 8870 63.583 4.230 18.630 1.00 0.00 WT7 H ATOM 55728 H2 TIP3 8870 63.355 5.318 17.603 1.00 0.00 WT7 H ATOM 55729 OH2 TIP3 8879 43.007 22.260 52.831 1.00 0.00 WT7 O ATOM 55730 H1 TIP3 8879 42.093 22.122 52.581 1.00 0.00 WT7 H ATOM 55731 H2 TIP3 8879 43.500 22.119 52.023 1.00 0.00 WT7 H ATOM 55732 OH2 TIP3 8892 25.848 2.461 64.218 1.00 0.00 WT7 O ATOM 55733 H1 TIP3 8892 26.060 3.389 64.319 1.00 0.00 WT7 H ATOM 55734 H2 TIP3 8892 26.185 2.231 63.352 1.00 0.00 WT7 H ATOM 55735 OH2 TIP3 8893 82.398 45.380 55.401 1.00 0.00 WT7 O ATOM 55736 H1 TIP3 8893 81.666 44.845 55.710 1.00 0.00 WT7 H ATOM 55737 H2 TIP3 8893 82.657 45.896 56.164 1.00 0.00 WT7 H ATOM 55738 OH2 TIP3 8894 52.823 10.806 13.945 1.00 0.00 WT7 O ATOM 55739 H1 TIP3 8894 52.352 11.098 14.725 1.00 0.00 WT7 H ATOM 55740 H2 TIP3 8894 53.345 11.564 13.681 1.00 0.00 WT7 H ATOM 55741 OH2 TIP3 8904 63.200 93.563 8.644 1.00 0.00 WT7 O ATOM 55742 H1 TIP3 8904 62.288 93.303 8.771 1.00 0.00 WT7 H ATOM 55743 H2 TIP3 8904 63.665 93.179 9.387 1.00 0.00 WT7 H ATOM 55744 OH2 TIP3 8920 73.937 45.590 36.462 1.00 0.00 WT7 O ATOM 55745 H1 TIP3 8920 73.852 46.234 37.165 1.00 0.00 WT7 H ATOM 55746 H2 TIP3 8920 73.184 45.753 35.894 1.00 0.00 WT7 H ATOM 55747 OH2 TIP3 8927 51.240 28.823 -16.490 1.00 0.00 WT7 O ATOM 55748 H1 TIP3 8927 51.438 28.864 -15.554 1.00 0.00 WT7 H ATOM 55749 H2 TIP3 8927 50.511 29.432 -16.608 1.00 0.00 WT7 H ATOM 55750 OH2 TIP3 8935 72.650 15.451 11.175 1.00 0.00 WT7 O ATOM 55751 H1 TIP3 8935 72.670 15.413 10.219 1.00 0.00 WT7 H ATOM 55752 H2 TIP3 8935 72.013 14.783 11.429 1.00 0.00 WT7 H ATOM 55753 OH2 TIP3 8937 53.598 72.073 30.972 1.00 0.00 WT7 O ATOM 55754 H1 TIP3 8937 53.121 71.635 30.267 1.00 0.00 WT7 H ATOM 55755 H2 TIP3 8937 53.498 71.494 31.727 1.00 0.00 WT7 H ATOM 55756 OH2 TIP3 8938 42.647 73.033 5.126 1.00 0.00 WT7 O ATOM 55757 H1 TIP3 8938 41.905 72.852 5.703 1.00 0.00 WT7 H ATOM 55758 H2 TIP3 8938 43.292 72.361 5.345 1.00 0.00 WT7 H ATOM 55759 OH2 TIP3 8939 28.332 10.364 -3.264 1.00 0.00 WT7 O ATOM 55760 H1 TIP3 8939 28.513 10.864 -2.468 1.00 0.00 WT7 H ATOM 55761 H2 TIP3 8939 27.439 10.040 -3.147 1.00 0.00 WT7 H ATOM 55762 OH2 TIP3 8942 22.259 93.622 21.640 1.00 0.00 WT7 O ATOM 55763 H1 TIP3 8942 22.144 94.564 21.517 1.00 0.00 WT7 H ATOM 55764 H2 TIP3 8942 23.023 93.545 22.211 1.00 0.00 WT7 H ATOM 55765 OH2 TIP3 8956 48.647 26.367 -16.078 1.00 0.00 WT7 O ATOM 55766 H1 TIP3 8956 48.690 26.872 -16.891 1.00 0.00 WT7 H ATOM 55767 H2 TIP3 8956 48.348 25.500 -16.350 1.00 0.00 WT7 H ATOM 55768 OH2 TIP3 8960 88.363 77.894 20.560 1.00 0.00 WT7 O ATOM 55769 H1 TIP3 8960 87.434 77.671 20.495 1.00 0.00 WT7 H ATOM 55770 H2 TIP3 8960 88.727 77.654 19.708 1.00 0.00 WT7 H ATOM 55771 OH2 TIP3 8972 80.397 44.995 66.346 1.00 0.00 WT7 O ATOM 55772 H1 TIP3 8972 80.094 44.139 66.044 1.00 0.00 WT7 H ATOM 55773 H2 TIP3 8972 79.627 45.559 66.278 1.00 0.00 WT7 H ATOM 55774 OH2 TIP3 8973 24.752 61.900 -18.396 1.00 0.00 WT7 O ATOM 55775 H1 TIP3 8973 24.702 61.005 -18.061 1.00 0.00 WT7 H ATOM 55776 H2 TIP3 8973 24.380 61.848 -19.276 1.00 0.00 WT7 H ATOM 55777 OH2 TIP3 8977 21.611 38.283 -8.336 1.00 0.00 WT7 O ATOM 55778 H1 TIP3 8977 21.723 38.155 -7.394 1.00 0.00 WT7 H ATOM 55779 H2 TIP3 8977 22.292 37.740 -8.735 1.00 0.00 WT7 H ATOM 55780 OH2 TIP3 8982 78.265 93.989 -12.891 1.00 0.00 WT7 O ATOM 55781 H1 TIP3 8982 78.868 93.790 -12.174 1.00 0.00 WT7 H ATOM 55782 H2 TIP3 8982 78.831 94.283 -13.605 1.00 0.00 WT7 H ATOM 55783 OH2 TIP3 8984 39.831 74.604 19.463 1.00 0.00 WT7 O ATOM 55784 H1 TIP3 8984 40.473 74.477 20.162 1.00 0.00 WT7 H ATOM 55785 H2 TIP3 8984 40.342 74.544 18.655 1.00 0.00 WT7 H ATOM 55786 OH2 TIP3 8988 67.310 90.785 53.029 1.00 0.00 WT7 O ATOM 55787 H1 TIP3 8988 68.045 90.747 53.641 1.00 0.00 WT7 H ATOM 55788 H2 TIP3 8988 67.220 89.888 52.708 1.00 0.00 WT7 H ATOM 55789 OH2 TIP3 9017 71.292 21.007 7.670 1.00 0.00 WT7 O ATOM 55790 H1 TIP3 9017 70.395 20.699 7.799 1.00 0.00 WT7 H ATOM 55791 H2 TIP3 9017 71.204 21.947 7.513 1.00 0.00 WT7 H ATOM 55792 OH2 TIP3 9022 73.686 21.433 3.861 1.00 0.00 WT7 O ATOM 55793 H1 TIP3 9022 73.221 20.665 3.530 1.00 0.00 WT7 H ATOM 55794 H2 TIP3 9022 73.708 22.038 3.119 1.00 0.00 WT7 H ATOM 55795 OH2 TIP3 9047 78.624 82.869 -12.217 1.00 0.00 WT7 O ATOM 55796 H1 TIP3 9047 78.002 82.820 -11.491 1.00 0.00 WT7 H ATOM 55797 H2 TIP3 9047 79.326 83.434 -11.894 1.00 0.00 WT7 H ATOM 55798 OH2 TIP3 9055 25.289 63.462 -16.279 1.00 0.00 WT7 O ATOM 55799 H1 TIP3 9055 24.492 63.993 -16.291 1.00 0.00 WT7 H ATOM 55800 H2 TIP3 9055 25.192 62.867 -17.024 1.00 0.00 WT7 H ATOM 55801 OH2 TIP3 9063 52.867 59.195 58.551 1.00 0.00 WT7 O ATOM 55802 H1 TIP3 9063 52.713 60.111 58.321 1.00 0.00 WT7 H ATOM 55803 H2 TIP3 9063 53.322 58.830 57.792 1.00 0.00 WT7 H ATOM 55804 OH2 TIP3 9068 89.483 37.937 -19.037 1.00 0.00 WT7 O ATOM 55805 H1 TIP3 9068 89.571 38.886 -19.121 1.00 0.00 WT7 H ATOM 55806 H2 TIP3 9068 89.945 37.585 -19.798 1.00 0.00 WT7 H ATOM 55807 OH2 TIP3 9096 66.422 41.523 -16.515 1.00 0.00 WT7 O ATOM 55808 H1 TIP3 9096 65.468 41.565 -16.583 1.00 0.00 WT7 H ATOM 55809 H2 TIP3 9096 66.737 41.871 -17.349 1.00 0.00 WT7 H ATOM 55810 OH2 TIP3 9178 43.461 77.435 58.817 1.00 0.00 WT7 O ATOM 55811 H1 TIP3 9178 43.211 78.106 59.451 1.00 0.00 WT7 H ATOM 55812 H2 TIP3 9178 44.114 77.861 58.261 1.00 0.00 WT7 H ATOM 55813 OH2 TIP3 9250 27.938 8.835 2.354 1.00 0.00 WT7 O ATOM 55814 H1 TIP3 9250 27.813 9.763 2.151 1.00 0.00 WT7 H ATOM 55815 H2 TIP3 9250 27.574 8.374 1.598 1.00 0.00 WT7 H ATOM 55816 OH2 TIP3 5 71.804 58.263 23.219 1.00 0.00 WT8 O ATOM 55817 H1 TIP3 5 70.938 57.857 23.202 1.00 0.00 WT8 H ATOM 55818 H2 TIP3 5 71.693 59.044 23.762 1.00 0.00 WT8 H ATOM 55819 OH2 TIP3 44 54.265 82.751 66.168 1.00 0.00 WT8 O ATOM 55820 H1 TIP3 44 53.388 82.945 65.837 1.00 0.00 WT8 H ATOM 55821 H2 TIP3 44 54.198 81.863 66.518 1.00 0.00 WT8 H ATOM 55822 OH2 TIP3 48 45.914 89.937 44.962 1.00 0.00 WT8 O ATOM 55823 H1 TIP3 48 46.717 89.742 44.480 1.00 0.00 WT8 H ATOM 55824 H2 TIP3 48 45.211 89.773 44.334 1.00 0.00 WT8 H ATOM 55825 OH2 TIP3 67 72.422 26.365 2.783 1.00 0.00 WT8 O ATOM 55826 H1 TIP3 67 73.338 26.438 2.517 1.00 0.00 WT8 H ATOM 55827 H2 TIP3 67 72.419 26.613 3.707 1.00 0.00 WT8 H ATOM 55828 OH2 TIP3 87 39.226 87.529 51.280 1.00 0.00 WT8 O ATOM 55829 H1 TIP3 87 38.688 87.802 50.537 1.00 0.00 WT8 H ATOM 55830 H2 TIP3 87 39.263 88.301 51.845 1.00 0.00 WT8 H ATOM 55831 OH2 TIP3 113 51.566 19.190 66.876 1.00 0.00 WT8 O ATOM 55832 H1 TIP3 113 52.018 18.977 66.060 1.00 0.00 WT8 H ATOM 55833 H2 TIP3 113 51.844 20.083 67.078 1.00 0.00 WT8 H ATOM 55834 OH2 TIP3 149 62.774 95.115 12.665 1.00 0.00 WT8 O ATOM 55835 H1 TIP3 149 63.142 94.894 13.521 1.00 0.00 WT8 H ATOM 55836 H2 TIP3 149 61.843 94.909 12.743 1.00 0.00 WT8 H ATOM 55837 OH2 TIP3 150 87.393 45.414 54.895 1.00 0.00 WT8 O ATOM 55838 H1 TIP3 150 88.066 45.533 55.565 1.00 0.00 WT8 H ATOM 55839 H2 TIP3 150 87.025 46.289 54.766 1.00 0.00 WT8 H ATOM 55840 OH2 TIP3 167 62.835 58.678 28.861 1.00 0.00 WT8 O ATOM 55841 H1 TIP3 167 62.223 59.371 28.610 1.00 0.00 WT8 H ATOM 55842 H2 TIP3 167 62.382 57.866 28.636 1.00 0.00 WT8 H ATOM 55843 OH2 TIP3 175 70.357 70.622 39.968 1.00 0.00 WT8 O ATOM 55844 H1 TIP3 175 70.738 69.800 39.662 1.00 0.00 WT8 H ATOM 55845 H2 TIP3 175 70.299 71.167 39.183 1.00 0.00 WT8 H ATOM 55846 OH2 TIP3 237 72.728 36.116 5.092 1.00 0.00 WT8 O ATOM 55847 H1 TIP3 237 72.155 35.430 5.434 1.00 0.00 WT8 H ATOM 55848 H2 TIP3 237 73.208 36.431 5.857 1.00 0.00 WT8 H ATOM 55849 OH2 TIP3 449 85.519 83.434 40.993 1.00 0.00 WT8 O ATOM 55850 H1 TIP3 449 84.745 83.225 40.470 1.00 0.00 WT8 H ATOM 55851 H2 TIP3 449 86.249 83.055 40.503 1.00 0.00 WT8 H ATOM 55852 OH2 TIP3 485 30.141 9.770 30.529 1.00 0.00 WT8 O ATOM 55853 H1 TIP3 485 30.427 8.875 30.712 1.00 0.00 WT8 H ATOM 55854 H2 TIP3 485 30.748 10.321 31.023 1.00 0.00 WT8 H ATOM 55855 OH2 TIP3 486 33.448 82.038 60.905 1.00 0.00 WT8 O ATOM 55856 H1 TIP3 486 33.950 82.783 61.235 1.00 0.00 WT8 H ATOM 55857 H2 TIP3 486 32.861 82.415 60.250 1.00 0.00 WT8 H ATOM 55858 OH2 TIP3 489 34.425 65.033 13.016 1.00 0.00 WT8 O ATOM 55859 H1 TIP3 489 34.648 64.622 13.851 1.00 0.00 WT8 H ATOM 55860 H2 TIP3 489 35.259 65.099 12.551 1.00 0.00 WT8 H ATOM 55861 OH2 TIP3 503 41.862 24.739 3.613 1.00 0.00 WT8 O ATOM 55862 H1 TIP3 503 42.130 23.840 3.419 1.00 0.00 WT8 H ATOM 55863 H2 TIP3 503 42.666 25.252 3.530 1.00 0.00 WT8 H ATOM 55864 OH2 TIP3 506 25.395 67.288 7.049 1.00 0.00 WT8 O ATOM 55865 H1 TIP3 506 25.803 67.627 6.252 1.00 0.00 WT8 H ATOM 55866 H2 TIP3 506 24.758 67.958 7.296 1.00 0.00 WT8 H ATOM 55867 OH2 TIP3 509 64.088 41.281 -17.780 1.00 0.00 WT8 O ATOM 55868 H1 TIP3 509 64.047 40.532 -18.374 1.00 0.00 WT8 H ATOM 55869 H2 TIP3 509 63.465 41.910 -18.144 1.00 0.00 WT8 H ATOM 55870 OH2 TIP3 511 39.574 70.940 -4.208 1.00 0.00 WT8 O ATOM 55871 H1 TIP3 511 39.122 70.545 -3.463 1.00 0.00 WT8 H ATOM 55872 H2 TIP3 511 40.345 71.360 -3.826 1.00 0.00 WT8 H ATOM 55873 OH2 TIP3 548 62.069 50.068 42.362 1.00 0.00 WT8 O ATOM 55874 H1 TIP3 548 62.531 50.526 41.660 1.00 0.00 WT8 H ATOM 55875 H2 TIP3 548 62.226 50.602 43.141 1.00 0.00 WT8 H ATOM 55876 OH2 TIP3 550 89.633 93.196 29.841 1.00 0.00 WT8 O ATOM 55877 H1 TIP3 550 90.349 93.061 30.462 1.00 0.00 WT8 H ATOM 55878 H2 TIP3 550 89.972 93.842 29.221 1.00 0.00 WT8 H ATOM 55879 OH2 TIP3 551 54.249 78.495 64.880 1.00 0.00 WT8 O ATOM 55880 H1 TIP3 551 53.929 79.171 64.283 1.00 0.00 WT8 H ATOM 55881 H2 TIP3 551 54.465 78.967 65.684 1.00 0.00 WT8 H ATOM 55882 OH2 TIP3 562 75.490 67.234 -13.990 1.00 0.00 WT8 O ATOM 55883 H1 TIP3 562 75.009 66.843 -13.260 1.00 0.00 WT8 H ATOM 55884 H2 TIP3 562 74.838 67.328 -14.684 1.00 0.00 WT8 H ATOM 55885 OH2 TIP3 573 41.561 1.717 -8.877 1.00 0.00 WT8 O ATOM 55886 H1 TIP3 573 42.071 2.119 -8.174 1.00 0.00 WT8 H ATOM 55887 H2 TIP3 573 41.952 0.851 -8.992 1.00 0.00 WT8 H ATOM 55888 OH2 TIP3 575 71.507 8.241 52.947 1.00 0.00 WT8 O ATOM 55889 H1 TIP3 575 70.583 8.138 53.175 1.00 0.00 WT8 H ATOM 55890 H2 TIP3 575 71.510 8.890 52.244 1.00 0.00 WT8 H ATOM 55891 OH2 TIP3 584 40.898 94.611 25.901 1.00 0.00 WT8 O ATOM 55892 H1 TIP3 584 41.274 95.085 25.159 1.00 0.00 WT8 H ATOM 55893 H2 TIP3 584 40.297 95.236 26.306 1.00 0.00 WT8 H ATOM 55894 OH2 TIP3 591 69.729 56.645 57.169 1.00 0.00 WT8 O ATOM 55895 H1 TIP3 591 68.835 56.711 57.504 1.00 0.00 WT8 H ATOM 55896 H2 TIP3 591 69.930 57.523 56.845 1.00 0.00 WT8 H ATOM 55897 OH2 TIP3 593 71.568 28.671 36.420 1.00 0.00 WT8 O ATOM 55898 H1 TIP3 593 71.471 29.397 37.037 1.00 0.00 WT8 H ATOM 55899 H2 TIP3 593 72.514 28.553 36.334 1.00 0.00 WT8 H ATOM 55900 OH2 TIP3 594 29.292 21.892 -10.071 1.00 0.00 WT8 O ATOM 55901 H1 TIP3 594 29.825 22.204 -9.340 1.00 0.00 WT8 H ATOM 55902 H2 TIP3 594 29.412 22.551 -10.754 1.00 0.00 WT8 H ATOM 55903 OH2 TIP3 822 76.856 64.087 55.045 1.00 0.00 WT8 O ATOM 55904 H1 TIP3 822 76.259 64.769 55.353 1.00 0.00 WT8 H ATOM 55905 H2 TIP3 822 76.414 63.706 54.287 1.00 0.00 WT8 H ATOM 55906 OH2 TIP3 892 30.706 55.048 38.278 1.00 0.00 WT8 O ATOM 55907 H1 TIP3 892 30.905 55.963 38.076 1.00 0.00 WT8 H ATOM 55908 H2 TIP3 892 30.892 54.577 37.465 1.00 0.00 WT8 H ATOM 55909 OH2 TIP3 908 45.063 50.822 5.294 1.00 0.00 WT8 O ATOM 55910 H1 TIP3 908 45.618 50.440 5.974 1.00 0.00 WT8 H ATOM 55911 H2 TIP3 908 45.664 51.015 4.575 1.00 0.00 WT8 H ATOM 55912 OH2 TIP3 928 70.773 84.185 24.138 1.00 0.00 WT8 O ATOM 55913 H1 TIP3 928 70.018 84.571 24.582 1.00 0.00 WT8 H ATOM 55914 H2 TIP3 928 70.721 83.251 24.344 1.00 0.00 WT8 H ATOM 55915 OH2 TIP3 930 32.626 48.165 50.547 1.00 0.00 WT8 O ATOM 55916 H1 TIP3 930 33.193 48.561 49.884 1.00 0.00 WT8 H ATOM 55917 H2 TIP3 930 32.688 48.754 51.299 1.00 0.00 WT8 H ATOM 55918 OH2 TIP3 987 53.338 76.930 61.686 1.00 0.00 WT8 O ATOM 55919 H1 TIP3 987 53.910 76.374 62.217 1.00 0.00 WT8 H ATOM 55920 H2 TIP3 987 53.255 77.739 62.191 1.00 0.00 WT8 H ATOM 55921 OH2 TIP3 993 69.387 11.864 46.128 1.00 0.00 WT8 O ATOM 55922 H1 TIP3 993 68.564 12.170 46.510 1.00 0.00 WT8 H ATOM 55923 H2 TIP3 993 70.066 12.323 46.622 1.00 0.00 WT8 H ATOM 55924 OH2 TIP3 1013 71.020 14.083 3.555 1.00 0.00 WT8 O ATOM 55925 H1 TIP3 1013 71.188 13.155 3.720 1.00 0.00 WT8 H ATOM 55926 H2 TIP3 1013 70.428 14.090 2.803 1.00 0.00 WT8 H ATOM 55927 OH2 TIP3 1018 47.895 82.252 -10.342 1.00 0.00 WT8 O ATOM 55928 H1 TIP3 1018 47.322 81.505 -10.515 1.00 0.00 WT8 H ATOM 55929 H2 TIP3 1018 47.297 82.971 -10.136 1.00 0.00 WT8 H ATOM 55930 OH2 TIP3 1076 27.670 3.703 59.292 1.00 0.00 WT8 O ATOM 55931 H1 TIP3 1076 27.542 4.417 59.917 1.00 0.00 WT8 H ATOM 55932 H2 TIP3 1076 28.215 4.082 58.603 1.00 0.00 WT8 H ATOM 55933 OH2 TIP3 1098 56.324 9.361 56.228 1.00 0.00 WT8 O ATOM 55934 H1 TIP3 1098 55.990 9.537 55.349 1.00 0.00 WT8 H ATOM 55935 H2 TIP3 1098 55.759 8.665 56.564 1.00 0.00 WT8 H ATOM 55936 OH2 TIP3 1122 60.325 83.086 53.510 1.00 0.00 WT8 O ATOM 55937 H1 TIP3 1122 60.822 83.902 53.453 1.00 0.00 WT8 H ATOM 55938 H2 TIP3 1122 59.856 83.032 52.678 1.00 0.00 WT8 H ATOM 55939 OH2 TIP3 1138 56.715 91.257 26.573 1.00 0.00 WT8 O ATOM 55940 H1 TIP3 1138 57.459 90.680 26.400 1.00 0.00 WT8 H ATOM 55941 H2 TIP3 1138 56.021 90.934 25.999 1.00 0.00 WT8 H ATOM 55942 OH2 TIP3 1301 85.710 71.725 31.514 1.00 0.00 WT8 O ATOM 55943 H1 TIP3 1301 86.535 72.208 31.472 1.00 0.00 WT8 H ATOM 55944 H2 TIP3 1301 85.173 72.223 32.131 1.00 0.00 WT8 H ATOM 55945 OH2 TIP3 1354 64.700 55.764 64.754 1.00 0.00 WT8 O ATOM 55946 H1 TIP3 1354 64.339 56.640 64.889 1.00 0.00 WT8 H ATOM 55947 H2 TIP3 1354 63.967 55.252 64.414 1.00 0.00 WT8 H ATOM 55948 OH2 TIP3 1370 79.219 38.112 50.318 1.00 0.00 WT8 O ATOM 55949 H1 TIP3 1370 79.849 38.254 49.611 1.00 0.00 WT8 H ATOM 55950 H2 TIP3 1370 79.757 37.883 51.076 1.00 0.00 WT8 H ATOM 55951 OH2 TIP3 1387 79.861 73.493 27.012 1.00 0.00 WT8 O ATOM 55952 H1 TIP3 1387 80.746 73.138 27.097 1.00 0.00 WT8 H ATOM 55953 H2 TIP3 1387 79.393 73.156 27.776 1.00 0.00 WT8 H ATOM 55954 OH2 TIP3 1408 66.282 23.729 66.721 1.00 0.00 WT8 O ATOM 55955 H1 TIP3 1408 65.519 23.664 66.147 1.00 0.00 WT8 H ATOM 55956 H2 TIP3 1408 66.636 24.602 66.550 1.00 0.00 WT8 H ATOM 55957 OH2 TIP3 1414 39.185 91.636 65.080 1.00 0.00 WT8 O ATOM 55958 H1 TIP3 1414 38.463 91.639 65.707 1.00 0.00 WT8 H ATOM 55959 H2 TIP3 1414 39.867 91.112 65.501 1.00 0.00 WT8 H ATOM 55960 OH2 TIP3 1429 78.498 56.544 44.994 1.00 0.00 WT8 O ATOM 55961 H1 TIP3 1429 78.678 56.174 44.130 1.00 0.00 WT8 H ATOM 55962 H2 TIP3 1429 77.751 57.126 44.855 1.00 0.00 WT8 H ATOM 55963 OH2 TIP3 1433 20.805 11.589 53.176 1.00 0.00 WT8 O ATOM 55964 H1 TIP3 1433 21.059 12.001 54.001 1.00 0.00 WT8 H ATOM 55965 H2 TIP3 1433 20.082 12.126 52.852 1.00 0.00 WT8 H ATOM 55966 OH2 TIP3 1440 44.786 51.044 56.991 1.00 0.00 WT8 O ATOM 55967 H1 TIP3 1440 43.834 51.020 57.084 1.00 0.00 WT8 H ATOM 55968 H2 TIP3 1440 45.021 51.957 57.159 1.00 0.00 WT8 H ATOM 55969 OH2 TIP3 1451 33.999 22.398 13.207 1.00 0.00 WT8 O ATOM 55970 H1 TIP3 1451 34.948 22.456 13.323 1.00 0.00 WT8 H ATOM 55971 H2 TIP3 1451 33.886 22.130 12.295 1.00 0.00 WT8 H ATOM 55972 OH2 TIP3 1480 73.478 35.477 11.937 1.00 0.00 WT8 O ATOM 55973 H1 TIP3 1480 74.049 35.629 12.690 1.00 0.00 WT8 H ATOM 55974 H2 TIP3 1480 72.639 35.221 12.320 1.00 0.00 WT8 H ATOM 55975 OH2 TIP3 1573 64.788 69.554 35.016 1.00 0.00 WT8 O ATOM 55976 H1 TIP3 1573 63.981 69.617 34.505 1.00 0.00 WT8 H ATOM 55977 H2 TIP3 1573 65.329 68.929 34.533 1.00 0.00 WT8 H ATOM 55978 OH2 TIP3 1618 60.268 1.028 62.329 1.00 0.00 WT8 O ATOM 55979 H1 TIP3 1618 60.822 1.287 61.592 1.00 0.00 WT8 H ATOM 55980 H2 TIP3 1618 60.624 0.185 62.611 1.00 0.00 WT8 H ATOM 55981 OH2 TIP3 1725 51.500 25.621 53.690 1.00 0.00 WT8 O ATOM 55982 H1 TIP3 1725 50.713 25.895 53.219 1.00 0.00 WT8 H ATOM 55983 H2 TIP3 1725 52.010 25.134 53.042 1.00 0.00 WT8 H ATOM 55984 OH2 TIP3 1733 46.629 69.958 -19.590 1.00 0.00 WT8 O ATOM 55985 H1 TIP3 1733 47.392 69.714 -20.114 1.00 0.00 WT8 H ATOM 55986 H2 TIP3 1733 46.879 69.749 -18.690 1.00 0.00 WT8 H ATOM 55987 OH2 TIP3 1771 36.226 50.972 55.457 1.00 0.00 WT8 O ATOM 55988 H1 TIP3 1771 35.398 51.023 55.935 1.00 0.00 WT8 H ATOM 55989 H2 TIP3 1771 36.188 51.698 54.835 1.00 0.00 WT8 H ATOM 55990 OH2 TIP3 1849 28.757 75.690 50.968 1.00 0.00 WT8 O ATOM 55991 H1 TIP3 1849 28.445 75.302 51.785 1.00 0.00 WT8 H ATOM 55992 H2 TIP3 1849 28.128 76.385 50.776 1.00 0.00 WT8 H ATOM 55993 OH2 TIP3 1853 35.459 64.864 62.540 1.00 0.00 WT8 O ATOM 55994 H1 TIP3 1853 36.310 65.224 62.291 1.00 0.00 WT8 H ATOM 55995 H2 TIP3 1853 35.450 63.985 62.162 1.00 0.00 WT8 H ATOM 55996 OH2 TIP3 1897 89.187 57.195 -10.048 1.00 0.00 WT8 O ATOM 55997 H1 TIP3 1897 89.215 58.066 -10.443 1.00 0.00 WT8 H ATOM 55998 H2 TIP3 1897 90.107 56.955 -9.932 1.00 0.00 WT8 H ATOM 55999 OH2 TIP3 2231 45.299 37.624 12.648 1.00 0.00 WT8 O ATOM 56000 H1 TIP3 2231 44.722 36.864 12.722 1.00 0.00 WT8 H ATOM 56001 H2 TIP3 2231 45.291 38.017 13.521 1.00 0.00 WT8 H ATOM 56002 OH2 TIP3 2270 31.258 37.710 52.284 1.00 0.00 WT8 O ATOM 56003 H1 TIP3 2270 32.198 37.693 52.104 1.00 0.00 WT8 H ATOM 56004 H2 TIP3 2270 31.097 38.586 52.635 1.00 0.00 WT8 H ATOM 56005 OH2 TIP3 2288 50.706 74.973 -9.335 1.00 0.00 WT8 O ATOM 56006 H1 TIP3 2288 49.993 75.533 -9.028 1.00 0.00 WT8 H ATOM 56007 H2 TIP3 2288 50.354 74.540 -10.112 1.00 0.00 WT8 H ATOM 56008 OH2 TIP3 2293 41.843 90.547 -15.593 1.00 0.00 WT8 O ATOM 56009 H1 TIP3 2293 42.241 90.296 -14.759 1.00 0.00 WT8 H ATOM 56010 H2 TIP3 2293 41.948 89.776 -16.151 1.00 0.00 WT8 H ATOM 56011 OH2 TIP3 2317 78.072 49.429 -4.745 1.00 0.00 WT8 O ATOM 56012 H1 TIP3 2317 77.284 49.763 -5.172 1.00 0.00 WT8 H ATOM 56013 H2 TIP3 2317 78.431 50.185 -4.280 1.00 0.00 WT8 H ATOM 56014 OH2 TIP3 2357 50.866 71.222 61.457 1.00 0.00 WT8 O ATOM 56015 H1 TIP3 2357 51.050 70.422 61.949 1.00 0.00 WT8 H ATOM 56016 H2 TIP3 2357 50.930 71.923 62.106 1.00 0.00 WT8 H ATOM 56017 OH2 TIP3 2358 66.675 69.041 -17.852 1.00 0.00 WT8 O ATOM 56018 H1 TIP3 2358 65.846 69.422 -18.143 1.00 0.00 WT8 H ATOM 56019 H2 TIP3 2358 67.333 69.698 -18.076 1.00 0.00 WT8 H ATOM 56020 OH2 TIP3 2714 37.331 26.613 48.499 1.00 0.00 WT8 O ATOM 56021 H1 TIP3 2714 38.209 26.930 48.713 1.00 0.00 WT8 H ATOM 56022 H2 TIP3 2714 36.934 27.325 47.998 1.00 0.00 WT8 H ATOM 56023 OH2 TIP3 5421 37.162 63.175 -4.389 1.00 0.00 WT8 O ATOM 56024 H1 TIP3 5421 36.633 63.105 -5.184 1.00 0.00 WT8 H ATOM 56025 H2 TIP3 5421 36.535 63.405 -3.703 1.00 0.00 WT8 H ATOM 56026 OH2 TIP3 6240 83.735 59.421 -17.150 1.00 0.00 WT8 O ATOM 56027 H1 TIP3 6240 83.468 58.549 -17.442 1.00 0.00 WT8 H ATOM 56028 H2 TIP3 6240 83.698 59.960 -17.941 1.00 0.00 WT8 H ATOM 56029 OH2 TIP3 6350 51.549 83.570 31.717 1.00 0.00 WT8 O ATOM 56030 H1 TIP3 6350 50.692 83.202 31.502 1.00 0.00 WT8 H ATOM 56031 H2 TIP3 6350 51.857 83.045 32.456 1.00 0.00 WT8 H ATOM 56032 OH2 TIP3 6671 87.678 73.356 46.153 1.00 0.00 WT8 O ATOM 56033 H1 TIP3 6671 87.530 74.176 46.624 1.00 0.00 WT8 H ATOM 56034 H2 TIP3 6671 87.082 72.731 46.565 1.00 0.00 WT8 H ATOM 56035 OH2 TIP3 7563 86.918 18.183 39.694 1.00 0.00 WT8 O ATOM 56036 H1 TIP3 7563 87.255 19.039 39.429 1.00 0.00 WT8 H ATOM 56037 H2 TIP3 7563 86.788 18.258 40.639 1.00 0.00 WT8 H ATOM 56038 OH2 TIP3 7583 36.699 35.813 30.554 1.00 0.00 WT8 O ATOM 56039 H1 TIP3 7583 37.579 36.109 30.323 1.00 0.00 WT8 H ATOM 56040 H2 TIP3 7583 36.128 36.540 30.304 1.00 0.00 WT8 H ATOM 56041 OH2 TIP3 7607 22.144 41.697 31.184 1.00 0.00 WT8 O ATOM 56042 H1 TIP3 7607 23.071 41.913 31.089 1.00 0.00 WT8 H ATOM 56043 H2 TIP3 7607 21.835 42.268 31.887 1.00 0.00 WT8 H ATOM 56044 OH2 TIP3 7630 23.643 61.788 22.563 1.00 0.00 WT8 O ATOM 56045 H1 TIP3 7630 23.272 61.942 23.432 1.00 0.00 WT8 H ATOM 56046 H2 TIP3 7630 23.575 60.841 22.438 1.00 0.00 WT8 H ATOM 56047 OH2 TIP3 7631 75.796 42.678 -16.969 1.00 0.00 WT8 O ATOM 56048 H1 TIP3 7631 76.333 42.889 -16.205 1.00 0.00 WT8 H ATOM 56049 H2 TIP3 7631 76.115 43.263 -17.656 1.00 0.00 WT8 H ATOM 56050 OH2 TIP3 7647 75.326 1.211 41.899 1.00 0.00 WT8 O ATOM 56051 H1 TIP3 7647 74.475 0.844 42.137 1.00 0.00 WT8 H ATOM 56052 H2 TIP3 7647 75.309 2.103 42.246 1.00 0.00 WT8 H ATOM 56053 OH2 TIP3 7650 57.322 12.153 -7.519 1.00 0.00 WT8 O ATOM 56054 H1 TIP3 7650 57.718 11.284 -7.460 1.00 0.00 WT8 H ATOM 56055 H2 TIP3 7650 57.214 12.430 -6.610 1.00 0.00 WT8 H ATOM 56056 OH2 TIP3 7707 84.230 61.599 22.715 1.00 0.00 WT8 O ATOM 56057 H1 TIP3 7707 83.991 60.733 22.385 1.00 0.00 WT8 H ATOM 56058 H2 TIP3 7707 83.419 61.946 23.088 1.00 0.00 WT8 H ATOM 56059 OH2 TIP3 7961 32.885 61.101 36.627 1.00 0.00 WT8 O ATOM 56060 H1 TIP3 7961 33.435 61.606 37.226 1.00 0.00 WT8 H ATOM 56061 H2 TIP3 7961 33.373 61.091 35.803 1.00 0.00 WT8 H ATOM 56062 OH2 TIP3 7985 24.769 26.351 46.356 1.00 0.00 WT8 O ATOM 56063 H1 TIP3 7985 24.277 27.156 46.191 1.00 0.00 WT8 H ATOM 56064 H2 TIP3 7985 25.116 26.102 45.499 1.00 0.00 WT8 H ATOM 56065 OH2 TIP3 8023 40.783 4.851 43.354 1.00 0.00 WT8 O ATOM 56066 H1 TIP3 8023 40.360 5.709 43.382 1.00 0.00 WT8 H ATOM 56067 H2 TIP3 8023 41.246 4.785 44.190 1.00 0.00 WT8 H ATOM 56068 OH2 TIP3 8024 25.560 63.566 21.852 1.00 0.00 WT8 O ATOM 56069 H1 TIP3 8024 26.404 63.141 22.005 1.00 0.00 WT8 H ATOM 56070 H2 TIP3 8024 24.920 62.856 21.908 1.00 0.00 WT8 H ATOM 56071 OH2 TIP3 8046 68.218 90.035 46.674 1.00 0.00 WT8 O ATOM 56072 H1 TIP3 8046 67.341 89.672 46.795 1.00 0.00 WT8 H ATOM 56073 H2 TIP3 8046 68.460 90.370 47.538 1.00 0.00 WT8 H ATOM 56074 OH2 TIP3 8064 26.903 30.463 11.154 1.00 0.00 WT8 O ATOM 56075 H1 TIP3 8064 27.229 29.831 11.794 1.00 0.00 WT8 H ATOM 56076 H2 TIP3 8064 26.804 31.277 11.649 1.00 0.00 WT8 H ATOM 56077 OH2 TIP3 8067 49.063 21.496 -10.491 1.00 0.00 WT8 O ATOM 56078 H1 TIP3 8067 48.221 21.094 -10.705 1.00 0.00 WT8 H ATOM 56079 H2 TIP3 8067 49.573 21.431 -11.299 1.00 0.00 WT8 H ATOM 56080 OH2 TIP3 8068 52.131 29.535 61.326 1.00 0.00 WT8 O ATOM 56081 H1 TIP3 8068 51.416 29.070 60.892 1.00 0.00 WT8 H ATOM 56082 H2 TIP3 8068 52.035 30.443 61.039 1.00 0.00 WT8 H ATOM 56083 OH2 TIP3 8174 80.312 50.864 55.621 1.00 0.00 WT8 O ATOM 56084 H1 TIP3 8174 80.044 50.055 56.056 1.00 0.00 WT8 H ATOM 56085 H2 TIP3 8174 80.430 50.616 54.704 1.00 0.00 WT8 H ATOM 56086 OH2 TIP3 8403 38.841 12.494 33.646 1.00 0.00 WT8 O ATOM 56087 H1 TIP3 8403 38.556 12.079 32.832 1.00 0.00 WT8 H ATOM 56088 H2 TIP3 8403 38.070 12.468 34.212 1.00 0.00 WT8 H ATOM 56089 OH2 TIP3 8411 83.020 68.998 45.192 1.00 0.00 WT8 O ATOM 56090 H1 TIP3 8411 82.593 69.158 46.034 1.00 0.00 WT8 H ATOM 56091 H2 TIP3 8411 82.311 68.716 44.614 1.00 0.00 WT8 H ATOM 56092 OH2 TIP3 8425 51.832 70.267 46.518 1.00 0.00 WT8 O ATOM 56093 H1 TIP3 8425 51.630 69.372 46.790 1.00 0.00 WT8 H ATOM 56094 H2 TIP3 8425 51.848 70.230 45.562 1.00 0.00 WT8 H ATOM 56095 OH2 TIP3 8466 67.725 5.480 -8.719 1.00 0.00 WT8 O ATOM 56096 H1 TIP3 8466 68.666 5.649 -8.767 1.00 0.00 WT8 H ATOM 56097 H2 TIP3 8466 67.320 6.337 -8.851 1.00 0.00 WT8 H ATOM 56098 OH2 TIP3 8468 22.160 1.581 44.795 1.00 0.00 WT8 O ATOM 56099 H1 TIP3 8468 21.757 2.309 44.323 1.00 0.00 WT8 H ATOM 56100 H2 TIP3 8468 23.049 1.531 44.444 1.00 0.00 WT8 H ATOM 56101 OH2 TIP3 8534 66.091 34.114 42.197 1.00 0.00 WT8 O ATOM 56102 H1 TIP3 8534 66.184 34.676 41.427 1.00 0.00 WT8 H ATOM 56103 H2 TIP3 8534 66.553 34.582 42.892 1.00 0.00 WT8 H ATOM 56104 OH2 TIP3 8536 63.741 3.663 64.203 1.00 0.00 WT8 O ATOM 56105 H1 TIP3 8536 63.744 3.908 63.278 1.00 0.00 WT8 H ATOM 56106 H2 TIP3 8536 63.405 2.766 64.212 1.00 0.00 WT8 H ATOM 56107 OH2 TIP3 8549 86.835 73.856 -4.856 1.00 0.00 WT8 O ATOM 56108 H1 TIP3 8549 87.252 74.548 -5.370 1.00 0.00 WT8 H ATOM 56109 H2 TIP3 8549 87.440 73.697 -4.132 1.00 0.00 WT8 H ATOM 56110 OH2 TIP3 8556 28.752 78.133 -14.185 1.00 0.00 WT8 O ATOM 56111 H1 TIP3 8556 27.979 78.232 -13.628 1.00 0.00 WT8 H ATOM 56112 H2 TIP3 8556 29.446 77.859 -13.586 1.00 0.00 WT8 H ATOM 56113 OH2 TIP3 8558 83.994 73.714 -5.422 1.00 0.00 WT8 O ATOM 56114 H1 TIP3 8558 83.716 72.902 -5.847 1.00 0.00 WT8 H ATOM 56115 H2 TIP3 8558 84.948 73.709 -5.497 1.00 0.00 WT8 H ATOM 56116 OH2 TIP3 8574 68.244 89.806 19.094 1.00 0.00 WT8 O ATOM 56117 H1 TIP3 8574 68.763 89.875 19.895 1.00 0.00 WT8 H ATOM 56118 H2 TIP3 8574 67.795 90.649 19.026 1.00 0.00 WT8 H ATOM 56119 OH2 TIP3 8780 26.260 78.456 38.158 1.00 0.00 WT8 O ATOM 56120 H1 TIP3 8780 25.356 78.410 37.846 1.00 0.00 WT8 H ATOM 56121 H2 TIP3 8780 26.513 77.543 38.297 1.00 0.00 WT8 H ATOM 56122 OH2 TIP3 8822 77.288 47.670 60.287 1.00 0.00 WT8 O ATOM 56123 H1 TIP3 8822 77.250 47.984 59.384 1.00 0.00 WT8 H ATOM 56124 H2 TIP3 8822 77.095 48.442 60.818 1.00 0.00 WT8 H ATOM 56125 OH2 TIP3 8845 43.566 49.402 -13.996 1.00 0.00 WT8 O ATOM 56126 H1 TIP3 8845 42.671 49.704 -14.150 1.00 0.00 WT8 H ATOM 56127 H2 TIP3 8845 43.951 50.071 -13.429 1.00 0.00 WT8 H ATOM 56128 OH2 TIP3 8927 30.681 20.236 -7.152 1.00 0.00 WT8 O ATOM 56129 H1 TIP3 8927 30.930 21.091 -7.504 1.00 0.00 WT8 H ATOM 56130 H2 TIP3 8927 30.859 20.302 -6.214 1.00 0.00 WT8 H ATOM 56131 OH2 TIP3 8935 63.144 57.723 31.478 1.00 0.00 WT8 O ATOM 56132 H1 TIP3 8935 62.554 56.972 31.542 1.00 0.00 WT8 H ATOM 56133 H2 TIP3 8935 63.120 57.969 30.553 1.00 0.00 WT8 H ATOM 56134 OH2 TIP3 8972 49.397 91.288 7.118 1.00 0.00 WT8 O ATOM 56135 H1 TIP3 8972 49.715 91.770 7.882 1.00 0.00 WT8 H ATOM 56136 H2 TIP3 8972 49.513 90.367 7.351 1.00 0.00 WT8 H ATOM 56137 OH2 TIP3 8973 46.477 9.079 -8.332 1.00 0.00 WT8 O ATOM 56138 H1 TIP3 8973 46.980 9.727 -8.825 1.00 0.00 WT8 H ATOM 56139 H2 TIP3 8973 46.357 9.474 -7.469 1.00 0.00 WT8 H ATOM 56140 OH2 TIP3 8977 30.969 65.747 59.361 1.00 0.00 WT8 O ATOM 56141 H1 TIP3 8977 30.309 65.278 58.851 1.00 0.00 WT8 H ATOM 56142 H2 TIP3 8977 31.361 65.076 59.920 1.00 0.00 WT8 H ATOM 56143 OH2 TIP3 8988 28.510 78.652 65.296 1.00 0.00 WT8 O ATOM 56144 H1 TIP3 8988 29.048 78.879 66.055 1.00 0.00 WT8 H ATOM 56145 H2 TIP3 8988 28.158 77.786 65.502 1.00 0.00 WT8 H ATOM 56146 OH2 TIP3 9055 33.031 75.802 55.873 1.00 0.00 WT8 O ATOM 56147 H1 TIP3 9055 32.775 76.282 56.660 1.00 0.00 WT8 H ATOM 56148 H2 TIP3 9055 32.542 76.222 55.165 1.00 0.00 WT8 H ATOM 56149 OH2 TIP3 9096 74.284 45.712 46.218 1.00 0.00 WT8 O ATOM 56150 H1 TIP3 9096 74.255 44.868 46.669 1.00 0.00 WT8 H ATOM 56151 H2 TIP3 9096 73.766 45.577 45.424 1.00 0.00 WT8 H ATOM 56152 OH2 TIP3 9250 81.195 7.094 35.691 1.00 0.00 WT8 O ATOM 56153 H1 TIP3 9250 81.035 6.725 34.822 1.00 0.00 WT8 H ATOM 56154 H2 TIP3 9250 81.400 6.336 36.239 1.00 0.00 WT8 H ATOM 56155 SOD SOD 1 82.797 74.325 2.710 1.00 0.00 ION NA ATOM 56156 SOD SOD 2 42.914 80.302 6.028 1.00 0.00 ION NA ATOM 56157 SOD SOD 3 58.187 64.438 64.364 1.00 0.00 ION NA ATOM 56158 SOD SOD 4 58.068 13.471 57.109 1.00 0.00 ION NA ATOM 56159 SOD SOD 5 80.577 21.046 66.244 1.00 0.00 ION NA ATOM 56160 SOD SOD 6 62.817 26.538 -8.231 1.00 0.00 ION NA ATOM 56161 SOD SOD 7 86.408 73.782 51.841 1.00 0.00 ION NA ATOM 56162 SOD SOD 8 70.374 33.131 28.331 1.00 0.00 ION NA ATOM 56163 SOD SOD 9 66.749 41.853 1.755 1.00 0.00 ION NA ATOM 56164 SOD SOD 10 67.750 26.585 12.661 1.00 0.00 ION NA ATOM 56165 SOD SOD 11 35.570 77.815 -17.280 1.00 0.00 ION NA ATOM 56166 SOD SOD 12 65.825 30.447 36.971 1.00 0.00 ION NA ATOM 56167 SOD SOD 13 66.307 3.010 12.868 1.00 0.00 ION NA ATOM 56168 SOD SOD 14 22.354 68.134 63.834 1.00 0.00 ION NA ATOM 56169 SOD SOD 15 90.182 77.568 45.073 1.00 0.00 ION NA ATOM 56170 SOD SOD 16 44.315 42.826 -10.184 1.00 0.00 ION NA ATOM 56171 SOD SOD 17 77.869 39.292 2.265 1.00 0.00 ION NA ATOM 56172 SOD SOD 18 32.829 27.933 35.525 1.00 0.00 ION NA ATOM 56173 SOD SOD 19 59.399 81.790 -14.039 1.00 0.00 ION NA ATOM 56174 SOD SOD 20 60.910 85.153 -0.010 1.00 0.00 ION NA ATOM 56175 SOD SOD 21 21.179 58.099 34.718 1.00 0.00 ION NA ATOM 56176 SOD SOD 22 58.008 73.033 55.006 1.00 0.00 ION NA ATOM 56177 SOD SOD 23 77.993 69.754 59.441 1.00 0.00 ION NA ATOM 56178 SOD SOD 24 37.794 32.130 2.615 1.00 0.00 ION NA ATOM 56179 SOD SOD 25 89.421 3.489 -2.699 1.00 0.00 ION NA ATOM 56180 SOD SOD 26 37.101 60.222 63.981 1.00 0.00 ION NA ATOM 56181 SOD SOD 27 76.393 88.707 -4.169 1.00 0.00 ION NA ATOM 56182 SOD SOD 28 55.821 96.162 -1.351 1.00 0.00 ION NA ATOM 56183 SOD SOD 29 68.122 44.344 51.411 1.00 0.00 ION NA ATOM 56184 SOD SOD 30 88.525 90.532 62.457 1.00 0.00 ION NA ATOM 56185 SOD SOD 31 44.620 18.980 65.129 1.00 0.00 ION NA ATOM 56186 SOD SOD 32 58.224 78.127 29.211 1.00 0.00 ION NA ATOM 56187 SOD SOD 33 76.088 16.374 58.938 1.00 0.00 ION NA ATOM 56188 SOD SOD 34 64.243 20.713 54.232 1.00 0.00 ION NA ATOM 56189 SOD SOD 35 73.696 81.085 3.585 1.00 0.00 ION NA ATOM 56190 SOD SOD 36 74.684 40.632 60.271 1.00 0.00 ION NA ATOM 56191 SOD SOD 37 77.432 91.835 58.515 1.00 0.00 ION NA ATOM 56192 SOD SOD 38 73.769 89.865 11.486 1.00 0.00 ION NA ATOM 56193 SOD SOD 39 33.618 91.445 31.011 1.00 0.00 ION NA ATOM 56194 SOD SOD 40 48.434 44.961 3.740 1.00 0.00 ION NA ATOM 56195 SOD SOD 41 42.221 38.768 -18.719 1.00 0.00 ION NA ATOM 56196 SOD SOD 42 72.019 35.195 42.788 1.00 0.00 ION NA ATOM 56197 SOD SOD 43 60.285 22.745 62.721 1.00 0.00 ION NA ATOM 56198 SOD SOD 44 85.042 58.969 -11.238 1.00 0.00 ION NA ATOM 56199 SOD SOD 45 81.357 72.061 12.468 1.00 0.00 ION NA ATOM 56200 SOD SOD 46 76.116 74.034 -16.680 1.00 0.00 ION NA ATOM 56201 SOD SOD 47 75.018 82.602 16.225 1.00 0.00 ION NA ATOM 56202 SOD SOD 48 71.505 40.044 -15.763 1.00 0.00 ION NA ATOM 56203 SOD SOD 49 52.618 92.374 61.540 1.00 0.00 ION NA ATOM 56204 SOD SOD 50 23.763 84.204 4.578 1.00 0.00 ION NA ATOM 56205 SOD SOD 51 33.559 74.899 24.538 1.00 0.00 ION NA ATOM 56206 SOD SOD 52 40.750 6.536 34.571 1.00 0.00 ION NA ATOM 56207 SOD SOD 53 46.293 4.922 -5.908 1.00 0.00 ION NA ATOM 56208 SOD SOD 54 37.821 69.986 56.222 1.00 0.00 ION NA ATOM 56209 SOD SOD 55 78.024 47.739 33.389 1.00 0.00 ION NA ATOM 56210 SOD SOD 56 53.057 22.586 37.099 1.00 0.00 ION NA ATOM 56211 SOD SOD 57 85.832 34.916 -10.527 1.00 0.00 ION NA ATOM 56212 SOD SOD 58 55.013 14.376 -11.213 1.00 0.00 ION NA ATOM 56213 SOD SOD 59 87.655 73.206 -19.308 1.00 0.00 ION NA ATOM 56214 SOD SOD 60 66.296 45.232 62.588 1.00 0.00 ION NA ATOM 56215 SOD SOD 61 21.448 7.768 53.146 1.00 0.00 ION NA ATOM 56216 SOD SOD 62 26.868 48.667 38.078 1.00 0.00 ION NA ATOM 56217 SOD SOD 63 82.924 52.718 43.270 1.00 0.00 ION NA ATOM 56218 SOD SOD 64 56.152 14.304 22.870 1.00 0.00 ION NA ATOM 56219 SOD SOD 65 38.346 38.105 54.253 1.00 0.00 ION NA ATOM 56220 SOD SOD 66 86.805 9.494 38.262 1.00 0.00 ION NA ATOM 56221 SOD SOD 67 27.736 43.774 59.076 1.00 0.00 ION NA ATOM 56222 SOD SOD 68 27.907 34.614 41.427 1.00 0.00 ION NA ATOM 56223 SOD SOD 69 70.605 26.598 -15.449 1.00 0.00 ION NA ATOM 56224 SOD SOD 70 52.538 11.153 -3.284 1.00 0.00 ION NA ATOM 56225 SOD SOD 71 47.337 23.478 -18.881 1.00 0.00 ION NA ATOM 56226 SOD SOD 72 34.638 48.776 39.909 1.00 0.00 ION NA ATOM 56227 SOD SOD 73 31.072 57.415 43.796 1.00 0.00 ION NA ATOM 56228 SOD SOD 74 34.155 51.628 32.757 1.00 0.00 ION NA ATOM 56229 SOD SOD 75 24.802 7.467 6.054 1.00 0.00 ION NA ATOM 56230 SOD SOD 76 69.080 29.817 57.681 1.00 0.00 ION NA ATOM 56231 SOD SOD 77 21.369 93.686 46.278 1.00 0.00 ION NA ATOM 56232 SOD SOD 78 56.124 4.151 24.392 1.00 0.00 ION NA ATOM 56233 SOD SOD 79 23.589 29.060 55.508 1.00 0.00 ION NA ATOM 56234 SOD SOD 80 61.296 68.932 42.136 1.00 0.00 ION NA END